A0A077YY30_TRITR Loading...

NADPH:adrenodoxin oxidoreductase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077YY30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 473 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
1M37.7Very low49.8Very low216 Ų216140.3 Ų140.3100%1.06473%0.734SS**  01040-99.1170.6166.600108.7F3M1-F3 HydrophobicContact CB-CE2 4.44Å; M1-F3 PolarHBondContact O-N 3.44Å
2R35.7Very low52.5Low243 Ų243135.3 Ų135.392%0.91771%0.714SS**  trans-81108.6161.7-77.9-176.2178179.20.1105.3T4R2-T4 PolarHBondContact O-N 2.89Å
3F38.6Very low55.3Low184 Ų184131.8 Ų131.881%0.80769%0.691SS**  trans-65.592.3166.5-74.1-87.8000106.8M1 C5M1-F3 HydrophobicContact CB-CE2 4.44Å; M1-F3 PolarHBondContact O-N 3.44Å; F3-C5 PolarHBondContact O-N 2.87Å
4T39.8Very low58Low127 Ų127122.4 Ų122.478%0.77964%0.642SS**  trans-67.787.3153.4450000104.7R2 S6R2-T4 PolarHBondContact O-N 2.89Å; T4-S6 PolarHBondContact O-N 2.82Å
5C39.5Very low60.5Low106 Ų106117.1 Ų117.172%0.71661%0.61SS**  trans-59.493158.1-171.40000104.4F3 L7F3-C5 PolarHBondContact O-N 2.87Å; C5-L7 PolarHBondContact O-N 2.9Å
6S44.6Very low62.8Low89 Ų89109.8 Ų109.862%0.62257%0.572SS**  trans-58101.1158.752.60000103.6T4 L8T4-S6 PolarHBondContact O-N 2.82Å; S6-L8 VanDerWaalsContact C-N 3.31Å; S6-L8 PolarHBondContact O-N 2.93Å
7L49.3Very low64.9Low128 Ų128103.3 Ų103.367%0.6754%0.538SS*.  trans-48.1110.3161.8-79.8156.8000104.3C5 E9 P36C5-L7 PolarHBondContact O-N 2.9Å; L7-E9 VanDerWaalsContact C-N 3.34Å; L7-E9 PolarHBondContact O-N 3.45Å; L7-P36 HydrophobicContact CB-CB 4.34Å
8L56.3Low66.7Low161 Ų16197.6 Ų97.684%0.84351%0.508SS*.  trans-58.5106.1176-73.4164.5000105S6 R10S6-L8 VanDerWaalsContact C-N 3.31Å; S6-L8 PolarHBondContact O-N 2.93Å; L8-R10 PolarHBondContact O-N 2.88Å
9E64.6Low68.4Low146 Ų14692.8 Ų92.868%0.68248%0.484SS*.  trans-56.7139173.2-73.1-179.9169.600107.9L7 A11L7-E9 VanDerWaalsContact C-N 3.34Å; L7-E9 PolarHBondContact O-N 3.45Å; E9-A11 PolarHBondContact O-N 2.98Å
10R68.7Low69.9Low46 Ų4688.5 Ų88.517%0.17446%0.463CS..  trans-56.9127.9176.8-169.2-173.9-179.2153.313.3109.1L8 V12 P36 N38 L401 A404L8-R10 PolarHBondContact O-N 2.88Å; R10-V12 VanDerWaalsContact C-N 3.29Å; R10-V12 WeakPolarHBondContact CD-O 3.45Å; R10-V12 WeakPolarHBondContact CG-O 3.2Å; R10-V12 PolarHBondContact O-N 3.4Å; R10-P36 PolarHBondContact N-O 3.24Å; R10-N38 WeakPolarHBondContact O-CB 3.02Å; R10-L401 PolarHBondContact NH1-O 3.04Å; R10-A404 PolarHBondContact NH2-O 2.83Å
11A73Confident71.3Confident97 Ų9784.3 Ų84.380%0.80244%0.441SS*.SBendtrans-67.7-30.7179.800000113E9E9-A11 PolarHBondContact O-N 2.98Å
12V82.7Confident74.1Confident81 Ų8174.6 Ų74.649%0.49140%0.396SS..SBendtrans-90.1128.1-179.9-176.80000109.7R10R10-V12 VanDerWaalsContact C-N 3.29Å; R10-V12 WeakPolarHBondContact CD-O 3.45Å; R10-V12 WeakPolarHBondContact CG-O 3.2Å; R10-V12 PolarHBondContact O-N 3.4Å
13E89Confident77Confident89 Ų8963.9 Ų63.942%0.41636%0.358SS..  trans-59.8138.7175.6-177.2-177.194.600111.3N38 R40E13-N38 WeakPolarHBondContact CA-O 3.26Å; E13-R40 HydrophobicContact CG-CB 4.09Å
14V92.7Very high79.8Confident1 Ų155.4 Ų55.41%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-112.5122.5174.7179.50000109.8L16 L37 N38 P39 R40 D105 L401V14-L16 HydrophobicContact CG1-CD2 3.92Å; V14-L16 HydrophobicContact CG1-CG 4.08Å; V14-L37 HydrophobicContact CB-CB 4.39Å; V14-L37 HydrophobicContact CG1-CD1 4.42Å; V14-L37 HydrophobicContact CG2-CB 4.33Å; V14-L37 HydrophobicContact CG2-CD2 4.42Å; V14-L37 VanDerWaalsContact CG2-O 3.26Å; V14-L37 WeakPolarHBondContact CG2-O 3.39Å; V14-N38 PolarHBondContact N-O 3.42Å; V14-P39 CarbonylContact O-C 3.56Å; V14-P39 WeakPolarHBondContact O-CA 3.34Å; V14-R40 PolarHBondContact O-N 3.24Å; V14-D105 HydrophobicContact CG1-CB 3.76Å; V14-L401 HydrophobicContact CG1-CD1 3.88Å
15R94.9Very high82.6Confident42 Ų4249.3 Ų49.316%0.15829%0.285CS..EExtended strand (participates in β ladder)trans-93.6120.1-179.4-62.3-179.3-64.7162.30.8110.4L103 Y104 D105 A410 M412R15-L103 PolarHBondContact NH1-O 3.47Å; R15-L103 PolarHBondContact NH2-O 2.77Å; R15-Y104 HydrophobicContact CB-CD1 3.99Å; R15-D105 PolarHBondContact N-OD2 3.46Å; R15-D105 WeakPolarHBondContact O-CB 3.38Å; R15-D105 PolarHBondContact O-N 2.9Å; R15-A410 PolarHBondContact NH1-O 2.64Å; R15-A410 PolarHBondContact NH2-O 2.99Å; R15-M412 PolarHBondContact NH1-O 2.78Å
16L97.1Very high85.4Confident0 Ų044.3 Ų44.30%025%0.251CS..EExtended strand (participates in β ladder)trans-121.3136.3-177.6-59.6173.3000110.8V14 L32 L37 P39 R40 V41 D42 Y104 G106 V397 L401V14-L16 HydrophobicContact CG1-CD2 3.92Å; V14-L16 HydrophobicContact CG1-CG 4.08Å; L16-L32 HydrophobicContact CD1-CB 4.14Å; L16-L32 HydrophobicContact CD1-CD1 3.9Å; L16-L32 HydrophobicContact CD1-CD2 3.78Å; L16-L32 HydrophobicContact CD1-CG 4.13Å; L16-L37 HydrophobicContact CD1-CD1 4.11Å; L16-P39 HydrophobicContact CD1-CB 4.1Å; L16-R40 PolarHBondContact N-O 3.26Å; L16-V41 HydrophobicContact CB-CG2 4.36Å; L16-V41 HydrophobicContact CD1-CG2 4.4Å; L16-V41 WeakPolarHBondContact O-CA 3.3Å; L16-D42 PolarHBondContact O-N 3.05Å; L16-Y104 VanDerWaalsContact C-CD1 3.42Å; L16-G106 WeakPolarHBondContact CA-O 3.44Å; L16-V397 HydrophobicContact CD2-CG1 4.29Å; L16-L401 HydrophobicContact CD2-CD1 3.54Å
17A98.4Very high87.9Confident0 Ų040.8 Ų40.80%022%0.224CC..EExtended strand (participates in β ladder)trans-107.6136.3171.800000110.6D42 F44 Y104 G106 V107 I108A17-D42 CarbonylContact C-O 3.48Å; A17-D42 WeakPolarHBondContact CA-O 3.5Å; A17-F44 HydrophobicContact CB-CD2 4.3Å; A17-F44 HydrophobicContact CB-CE2 3.83Å; A17-Y104 HydrophobicContact CB-CD1 3.77Å; A17-Y104 HydrophobicContact CB-CD2 3.67Å; A17-Y104 HydrophobicContact CB-CE1 3.98Å; A17-Y104 HydrophobicContact CB-CE2 3.91Å; A17-Y104 HydrophobicContact CB-CG 3.62Å; A17-G106 PolarHBondContact N-O 3.02Å; A17-V107 HydrophobicContact CB-CB 4.48Å; A17-V107 HydrophobicContact CB-CG1 4.16Å; A17-V107 HydrophobicContact CB-CG2 4.24Å; A17-V107 CarbonylContact O-C 3.53Å; A17-V107 WeakPolarHBondContact O-CA 3.31Å; A17-I108 WeakPolarHBondContact O-CD1 3.35Å; A17-I108 PolarHBondContact O-N 3.31Å
18V98.8Very high90.2Very high0 Ų034.7 Ų34.70%019%0.192CC..EExtended strand (participates in β ladder)trans-118.6119.8172.2-179.70000108.7A29 L32 V41 D42 V43 F44 I108 A110V18-A29 HydrophobicContact CG2-CB 4.45Å; V18-L32 HydrophobicContact CG2-CD1 4.19Å; V18-V41 HydrophobicContact CG2-CG1 3.88Å; V18-D42 PolarHBondContact N-O 2.92Å; V18-V43 HydrophobicContact CB-CG2 4.17Å; V18-V43 CarbonylContact O-C 3.6Å; V18-V43 WeakPolarHBondContact O-CA 3.38Å; V18-F44 PolarHBondContact O-N 3.44Å; V18-I108 CarbonylContact C-O 3.6Å; V18-I108 WeakPolarHBondContact CA-O 3.38Å; V18-I108 HydrophobicContact CG2-CB 4.4Å; V18-I108 HydrophobicContact CG2-CD1 4.31Å; V18-A110 HydrophobicContact CG1-CB 4.14Å
19V98.7Very high92.2Very high7 Ų727 Ų274%0.04215%0.152CC..EExtended strand (participates in β ladder)trans-96.8103.8-177.7-177.70000109.7V91 L100 V107 I108 L109 A110 F111 I341V19-V91 HydrophobicContact CG1-CB 3.66Å; V19-V91 HydrophobicContact CG1-CG1 3.98Å; V19-V91 HydrophobicContact CG1-CG2 3.79Å; V19-V91 HydrophobicContact CG2-CB 4.48Å; V19-V91 HydrophobicContact CG2-CG1 4.16Å; V19-V91 HydrophobicContact CG2-CG2 4.18Å; V19-L100 HydrophobicContact CG2-CD1 3.66Å; V19-V107 HydrophobicContact CG2-CG1 4.04Å; V19-I108 PolarHBondContact N-O 2.98Å; V19-L109 HydrophobicContact CB-CD2 4.15Å; V19-L109 HydrophobicContact CG2-CD2 4.07Å; V19-A110 CarbonylContact O-C 3.57Å; V19-A110 VanDerWaalsContact O-CA 3.24Å; V19-A110 WeakPolarHBondContact O-CA 3.04Å; V19-A110 PolarHBondContact O-N 3Å; V19-F111 PolarHBondContact O-N 3.5Å; V19-I341 HydrophobicContact CG1-CD1 4.1Å
20G98.3Very high93.8Very high7 Ų722.4 Ų22.47%0.07213%0.131CC..  trans110.5127.7-176.500000111.7G25 F44G20-G25 WeakPolarHBondContact O-CA 2.99Å; G20-F44 VanDerWaalsContact CA-O 3.28Å; G20-F44 WeakPolarHBondContact CA-O 3.43Å; G20-F44 PolarHBondContact N-O 3.49Å
21S98Very high95.1Very high0 Ų021.4 Ų21.40%013%0.131CC..  trans-98.814.517973.50000113.4M26 E45 P50 F51S21-M26 WeakPolarHBondContact O-CG 3.49Å; S21-E45 WeakPolarHBondContact CB-OE2 3.44Å; S21-E45 PolarHBondContact N-OE2 3.18Å; S21-E45 VanDerWaalsContact OG-CD 3.29Å; S21-E45 VanDerWaalsContact OG-CG 3.23Å; S21-E45 WeakPolarHBondContact OG-CG 3.34Å; S21-E45 PolarHBondContact OG-OE2 2.95Å; S21-P50 VanDerWaalsContact OG-CA 3.25Å; S21-P50 WeakPolarHBondContact OG-CA 3.41Å; S21-F51 CarbonylContact O-C 3.53Å; S21-F51 WeakPolarHBondContact O-CA 3.37Å; S21-F51 PolarHBondContact O-N 3.48Å; S21-F51 VanDerWaalsContact O-N 3.08Å; S21-F51 PolarHBondContact OG-N 3.28Å
22G97.1Very high96.3Very high12 Ų1216.8 Ų16.812%0.1249%0.093CC..SBendtrans-64.5-179.9171.600000112.4A24 G25 M26G22-A24 VanDerWaalsContact C-N 3.29Å; G22-A24 PolarHBondContact O-N 3.05Å; G22-G25 PolarHBondContact O-N 3.32Å; G22-M26 WeakPolarHBondContact O-CG 3.29Å; G22-M26 PolarHBondContact O-N 2.79Å
23P96.5Very high96.9Very high18 Ų1813.3 Ų13.312%0.1177%0.071CC..Hα-helixtrans-54-42.4-176.26.8-17000113.9G25 M26 Y27 I54 L383 T386P23-G25 PolarHBondContact O-N 2.76Å; P23-M26 PolarHBondContact O-N 2.74Å; P23-Y27 HydrophobicContact CB-CD2 4.25Å; P23-Y27 HydrophobicContact CB-CE2 4.2Å; P23-Y27 WeakPolarHBondContact O-CB 3.15Å; P23-Y27 WeakPolarHBondContact O-CD2 3.35Å; P23-Y27 PolarHBondContact O-N 2.71Å; P23-I54 HydrophobicContact CB-CD1 3.89Å; P23-I54 HydrophobicContact CB-CG1 3.92Å; P23-I54 HydrophobicContact CG-CD1 4.39Å; P23-I54 HydrophobicContact CG-CG1 3.93Å; P23-L383 HydrophobicContact CB-CD1 3.38Å; P23-L383 HydrophobicContact CG-CD1 3.94Å; P23-T386 HydrophobicContact CB-CG2 4.11Å
24A97.7Very high97.2Very high6 Ų613.6 Ų13.65%0.058%0.083CC..Hα-helixtrans-59.5-46177.400000112.4G22 C28 A110 T386 A390G22-A24 VanDerWaalsContact C-N 3.29Å; G22-A24 PolarHBondContact O-N 3.05Å; A24-C28 WeakPolarHBondContact O-CB 3.34Å; A24-C28 PolarHBondContact O-N 3.44Å; A24-A110 HydrophobicContact CB-CB 4.31Å; A24-T386 HydrophobicContact CB-CG2 3.79Å; A24-A390 WeakPolarHBondContact O-CB 3.45Å
25G98.3Very high97.2Very high0 Ų014.4 Ų14.40%09%0.089CC..Hα-helixtrans-67.3-44.4-179.700000112.5G20 G22 P23 C28 A29G20-G25 WeakPolarHBondContact O-CA 2.99Å; G22-G25 PolarHBondContact O-N 3.32Å; P23-G25 PolarHBondContact O-N 2.76Å; G25-C28 WeakPolarHBondContact O-CB 3.35Å; G25-C28 PolarHBondContact O-N 3.47Å; G25-A29 WeakPolarHBondContact O-CB 3.36Å; G25-A29 PolarHBondContact O-N 2.97Å
26M98Very high97Very high1 Ų113.9 Ų13.91%0.0059%0.091CC..Hα-helixtrans-69.4-40.4-178.2-59.9-58.1-77.600112.7S21 G22 P23 C28 A29 Q30 V43 F51 L72 I76 F83S21-M26 WeakPolarHBondContact O-CG 3.49Å; G22-M26 WeakPolarHBondContact O-CG 3.29Å; G22-M26 PolarHBondContact O-N 2.79Å; P23-M26 PolarHBondContact O-N 2.74Å; M26-C28 VanDerWaalsContact C-N 3.34Å; M26-A29 PolarHBondContact O-N 3.37Å; M26-Q30 WeakPolarHBondContact O-CB 3.47Å; M26-Q30 PolarHBondContact O-N 2.97Å; M26-V43 HydrophobicContact SD-CG1 4.31Å; M26-F51 HydrophobicContact CE-CD1 4.05Å; M26-F51 HydrophobicContact CE-CE1 3.72Å; M26-F51 HydrophobicContact CG-CD1 4.34Å; M26-L72 HydrophobicContact CB-CD1 3.91Å; M26-L72 HydrophobicContact CB-CD2 4.06Å; M26-I76 HydrophobicContact CE-CD1 3.37Å; M26-F83 HydrophobicContact CE-CZ 4.42Å
27Y97.8Very high96.6Very high14 Ų1413.9 Ų13.96%0.0559%0.091CC..Hα-helixtrans-71.6-30174.4-71-57.3000112.7P23 S31 C68 L72 L383 Q387P23-Y27 HydrophobicContact CB-CD2 4.25Å; P23-Y27 HydrophobicContact CB-CE2 4.2Å; P23-Y27 WeakPolarHBondContact O-CB 3.15Å; P23-Y27 WeakPolarHBondContact O-CD2 3.35Å; P23-Y27 PolarHBondContact O-N 2.71Å; Y27-S31 WeakPolarHBondContact O-CB 3.32Å; Y27-S31 PolarHBondContact O-N 3.04Å; Y27-S31 VanDerWaalsContact O-N 3.12Å; Y27-S31 PolarHBondContact O-OG 3.07Å; Y27-C68 WeakPolarHBondContact OH-CB 3.28Å; Y27-L72 HydrophobicContact CD1-CD2 3.88Å; Y27-L72 HydrophobicContact CE1-CD2 3.88Å; Y27-L72 HydrophobicContact CE1-CG 4.38Å; Y27-L383 HydrophobicContact CE2-CD1 3.92Å; Y27-L383 HydrophobicContact CE2-CG 4.35Å; Y27-Q387 HydrophobicContact CD1-CB 4.31Å; Y27-Q387 HydrophobicContact CD1-CG 3.68Å; Y27-Q387 HydrophobicContact CD2-CB 3.71Å; Y27-Q387 HydrophobicContact CD2-CG 4.02Å; Y27-Q387 HydrophobicContact CE1-CB 4.45Å; Y27-Q387 HydrophobicContact CE1-CG 3.91Å; Y27-Q387 HydrophobicContact CE2-CB 3.9Å; Y27-Q387 HydrophobicContact CE2-CG 4.26Å; Y27-Q387 HydrophobicContact CG-CB 3.96Å; Y27-Q387 HydrophobicContact CG-CG 3.75Å
28C98.2Very high96.2Very high0 Ų016.3 Ų16.30%010%0.104CC..Hα-helixtrans-64.7-53.7170.4-174.10000110.1A24 G25 M26 Q30 S31 L32 A390A24-C28 WeakPolarHBondContact O-CB 3.34Å; A24-C28 PolarHBondContact O-N 3.44Å; G25-C28 WeakPolarHBondContact O-CB 3.35Å; G25-C28 PolarHBondContact O-N 3.47Å; M26-C28 VanDerWaalsContact C-N 3.34Å; C28-Q30 VanDerWaalsContact C-N 3.29Å; C28-Q30 PolarHBondContact O-N 3.46Å; C28-S31 PolarHBondContact O-N 3.22Å; C28-L32 WeakPolarHBondContact O-CG 3.41Å; C28-L32 PolarHBondContact O-N 3Å; C28-A390 HydrophobicContact CB-CB 4.25Å
29A98.2Very high96Very high1 Ų116.4 Ų16.41%0.00810%0.104CC..Hα-helixtrans-55.1-43.4176.800000112V18 G25 M26 S31 L32 L33 V41 V43 F83V18-A29 HydrophobicContact CG2-CB 4.45Å; G25-A29 WeakPolarHBondContact O-CB 3.36Å; G25-A29 PolarHBondContact O-N 2.97Å; M26-A29 PolarHBondContact O-N 3.37Å; A29-S31 VanDerWaalsContact C-N 3.34Å; A29-S31 PolarHBondContact O-N 3.39Å; A29-L32 PolarHBondContact O-N 2.49Å; A29-L33 WeakPolarHBondContact O-CB 3.38Å; A29-L33 VanDerWaalsContact O-CG 3.26Å; A29-L33 WeakPolarHBondContact O-CG 3.27Å; A29-L33 PolarHBondContact O-N 3.26Å; A29-V41 HydrophobicContact CB-CG1 3.9Å; A29-V43 HydrophobicContact CB-CG2 4.02Å; A29-F83 HydrophobicContact CB-CE2 4.35Å
30Q97.2Very high95.9Very high48 Ų4819.1 Ų19.122%0.22411%0.114CC..Hα-helixtrans-55.2-48.3173.6179.5171.754.300112.8M26 C28 S34 M75M26-Q30 WeakPolarHBondContact O-CB 3.47Å; M26-Q30 PolarHBondContact O-N 2.97Å; C28-Q30 VanDerWaalsContact C-N 3.29Å; C28-Q30 PolarHBondContact O-N 3.46Å; Q30-S34 PolarHBondContact O-N 2.64Å; Q30-S34 PolarHBondContact O-OG 3.18Å; Q30-M75 VanDerWaalsContact CA-CE 3.45Å; Q30-M75 HydrophobicContact CB-CE 3.44Å; Q30-M75 VanDerWaalsContact CB-CE 3.44Å; Q30-M75 HydrophobicContact CB-SD 4.23Å; Q30-M75 HydrophobicContact CG-CE 3.75Å; Q30-M75 HydrophobicContact CG-CG 4.02Å; Q30-M75 HydrophobicContact CG-SD 4.16Å
31S97.3Very high95.8Very high25 Ų2518.8 Ų18.818%0.17511%0.11CC..Hα-helixtrans-70.7-38.3-176.7-58.80000111Y27 C28 A29 S34 S35 A394Y27-S31 WeakPolarHBondContact O-CB 3.32Å; Y27-S31 PolarHBondContact O-N 3.04Å; Y27-S31 VanDerWaalsContact O-N 3.12Å; Y27-S31 PolarHBondContact O-OG 3.07Å; C28-S31 PolarHBondContact O-N 3.22Å; A29-S31 VanDerWaalsContact C-N 3.34Å; A29-S31 PolarHBondContact O-N 3.39Å; S31-S34 PolarHBondContact O-N 2.8Å; S31-S35 PolarHBondContact O-N 3.03Å; S31-A394 VanDerWaalsContact CB-CB 3.45Å
32L97.1Very high95.9Very high0 Ų018.9 Ų18.90%011%0.111CC..Hα-helixtrans-61.4-51.1173.2-69.6171.4000110.7L16 V18 C28 A29 S34 S35 P39 V41 I108 A394 V397L16-L32 HydrophobicContact CD1-CB 4.14Å; L16-L32 HydrophobicContact CD1-CD1 3.9Å; L16-L32 HydrophobicContact CD1-CD2 3.78Å; L16-L32 HydrophobicContact CD1-CG 4.13Å; V18-L32 HydrophobicContact CG2-CD1 4.19Å; C28-L32 WeakPolarHBondContact O-CG 3.41Å; C28-L32 PolarHBondContact O-N 3Å; A29-L32 PolarHBondContact O-N 2.49Å; L32-S34 PolarHBondContact O-N 2.75Å; L32-S35 WeakPolarHBondContact O-CB 3.31Å; L32-S35 PolarHBondContact O-N 3.28Å; L32-S35 PolarHBondContact O-OG 2.88Å; L32-P39 VanDerWaalsContact O-CG 3.28Å; L32-P39 WeakPolarHBondContact O-CG 3.49Å; L32-V41 HydrophobicContact CB-CG2 4.05Å; L32-I108 HydrophobicContact CD1-CD1 3.82Å; L32-I108 HydrophobicContact CD1-CG1 4.42Å; L32-A394 HydrophobicContact CD2-CB 3.89Å; L32-A394 HydrophobicContact CG-CB 3.89Å; L32-V397 HydrophobicContact CD2-CB 4.15Å; L32-V397 HydrophobicContact CD2-CG1 3.96Å
33L96.3Very high96Very high9 Ų918.3 Ų18.35%0.04711%0.105CC..Hα-helixtrans-59.4-22.5-180-75.8167.5000114.6A29 V41 M75 A79 R82 F83A29-L33 WeakPolarHBondContact O-CB 3.38Å; A29-L33 VanDerWaalsContact O-CG 3.26Å; A29-L33 WeakPolarHBondContact O-CG 3.27Å; A29-L33 PolarHBondContact O-N 3.26Å; L33-V41 HydrophobicContact CD2-CB 4.25Å; L33-V41 HydrophobicContact CD2-CG2 3.86Å; L33-V41 HydrophobicContact CG-CB 4.36Å; L33-V41 HydrophobicContact CG-CG2 3.92Å; L33-M75 HydrophobicContact CB-SD 4.26Å; L33-M75 HydrophobicContact CD1-CE 4.32Å; L33-M75 HydrophobicContact CD1-SD 3.49Å; L33-M75 WeakPolarHBondContact CD1-SD 3.36Å; L33-A79 HydrophobicContact CD1-CB 3.78Å; L33-A79 HydrophobicContact CD2-CB 3.92Å; L33-A79 HydrophobicContact CG-CB 4.38Å; L33-R82 HydrophobicContact CD2-CB 4.08Å; L33-R82 PolarHBondContact O-NH1 2.97Å; L33-F83 HydrophobicContact CD1-CB 4.22Å; L33-F83 HydrophobicContact CD1-CD2 3.93Å; L33-F83 HydrophobicContact CD1-CG 4.48Å
34S94.2Very high96.1Very high94 Ų9417.5 Ų17.566%0.65710%0.1SC*.THydrogen-bonded Turntrans-97.53.1177.4-49.40000113.1Q30 S31 L32Q30-S34 PolarHBondContact O-N 2.64Å; Q30-S34 PolarHBondContact O-OG 3.18Å; S31-S34 PolarHBondContact O-N 2.8Å; L32-S34 PolarHBondContact O-N 2.75Å
35S93.4Very high96.1Very high18 Ų1818 Ų1813%0.12610%0.101CC..SBendtrans-84.9160.1179.278.20000111.4S31 L32 L37S31-S35 PolarHBondContact O-N 3.03Å; L32-S35 WeakPolarHBondContact O-CB 3.31Å; L32-S35 PolarHBondContact O-N 3.28Å; L32-S35 PolarHBondContact O-OG 2.88Å; S35-L37 PolarHBondContact O-N 3.3Å
36P89.8Confident96Very high31 Ų3121.9 Ų21.920%0.20112%0.118CC..THydrogen-bonded Turntrans-75.213.1179.833-38000114.3L7 R10 N38 L402L7-P36 HydrophobicContact CB-CB 4.34Å; R10-P36 PolarHBondContact N-O 3.24Å; P36-N38 VanDerWaalsContact C-N 3.29Å; P36-N38 PolarHBondContact O-N 3.38Å; P36-L402 HydrophobicContact CG-CD1 4.06Å; P36-L402 HydrophobicContact CG-CD2 4.41Å
37L89.3Confident96Very high0 Ų022.3 Ų22.30%012%0.121CC..THydrogen-bonded Turntrans-74.2-8.2-174.6-76.6-178.4000115.5V14 L16 S35 P39 A398 L401 L402V14-L37 HydrophobicContact CB-CB 4.39Å; V14-L37 HydrophobicContact CG1-CD1 4.42Å; V14-L37 HydrophobicContact CG2-CB 4.33Å; V14-L37 HydrophobicContact CG2-CD2 4.42Å; V14-L37 VanDerWaalsContact CG2-O 3.26Å; V14-L37 WeakPolarHBondContact CG2-O 3.39Å; L16-L37 HydrophobicContact CD1-CD1 4.11Å; S35-L37 PolarHBondContact O-N 3.3Å; L37-P39 HydrophobicContact CB-CB 4.23Å; L37-A398 HydrophobicContact CD1-CB 4.04Å; L37-A398 HydrophobicContact CG-CB 4.06Å; L37-L401 HydrophobicContact CD1-CB 4.4Å; L37-L401 HydrophobicContact CD1-CD1 4.34Å; L37-L401 HydrophobicContact CD2-CB 3.83Å; L37-L402 HydrophobicContact CD2-CD2 4.06Å; L37-L402 HydrophobicContact CD2-CG 3.89Å
38N90.6Very high96Very high51 Ų5121.6 Ų21.627%0.27312%0.118SC..  trans46.261.6-158.3-175.822.1000111.8R10 E13 V14 P36R10-N38 WeakPolarHBondContact O-CB 3.02Å; E13-N38 WeakPolarHBondContact CA-O 3.26Å; V14-N38 PolarHBondContact N-O 3.42Å; P36-N38 VanDerWaalsContact C-N 3.29Å; P36-N38 PolarHBondContact O-N 3.38Å
39P94.3Very high96Very high2 Ų221.7 Ų21.71%0.01312%0.118CC..EExtended strand (participates in β ladder)trans-86.8143.1-167.734.7-35.7000112.5V14 L16 L32 L37 V41V14-P39 CarbonylContact O-C 3.56Å; V14-P39 WeakPolarHBondContact O-CA 3.34Å; L16-P39 HydrophobicContact CD1-CB 4.1Å; L32-P39 VanDerWaalsContact O-CG 3.28Å; L32-P39 WeakPolarHBondContact O-CG 3.49Å; L37-P39 HydrophobicContact CB-CB 4.23Å; P39-V41 HydrophobicContact CB-CG2 4.23Å
40R95.5Very high96Very high64 Ų6421.6 Ų21.624%0.24212%0.118CC..EExtended strand (participates in β ladder)trans-107.6124.2157-171.7175.4-167.6-175.27.2109.1E13 V14 L16 R82E13-R40 HydrophobicContact CG-CB 4.09Å; V14-R40 PolarHBondContact O-N 3.24Å; L16-R40 PolarHBondContact N-O 3.26Å; R40-R82 CarbonylContact C-O 3.3Å; R40-R82 WeakPolarHBondContact CA-O 3.34Å
41V97.9Very high96Very high0 Ų019.5 Ų19.50%011%0.108CC..EExtended strand (participates in β ladder)trans-118.6118.5-173-174.90000110.6L16 V18 A29 L32 L33 P39 V43 R82 F83 R84L16-V41 HydrophobicContact CB-CG2 4.36Å; L16-V41 HydrophobicContact CD1-CG2 4.4Å; L16-V41 WeakPolarHBondContact O-CA 3.3Å; V18-V41 HydrophobicContact CG2-CG1 3.88Å; A29-V41 HydrophobicContact CB-CG1 3.9Å; L32-V41 HydrophobicContact CB-CG2 4.05Å; L33-V41 HydrophobicContact CD2-CB 4.25Å; L33-V41 HydrophobicContact CD2-CG2 3.86Å; L33-V41 HydrophobicContact CG-CB 4.36Å; L33-V41 HydrophobicContact CG-CG2 3.92Å; P39-V41 HydrophobicContact CB-CG2 4.23Å; V41-V43 HydrophobicContact CG1-CG2 4.29Å; V41-R82 PolarHBondContact N-O 3.07Å; V41-F83 WeakPolarHBondContact O-CA 3.44Å; V41-R84 PolarHBondContact O-N 2.92Å
42D98.6Very high95.9Very high2 Ų219 Ų191%0.01111%0.107CC..EExtended strand (participates in β ladder)trans-105.1119174.8-69.6-7.2000109.8L16 A17 V18 F44 R84 F86 Y104L16-D42 PolarHBondContact O-N 3.05Å; A17-D42 CarbonylContact C-O 3.48Å; A17-D42 WeakPolarHBondContact CA-O 3.5Å; V18-D42 PolarHBondContact N-O 2.92Å; D42-F44 HydrophobicContact CB-CE2 3.9Å; D42-F44 HydrophobicContact CB-CZ 4.18Å; D42-R84 CarbonylContact C-O 3.57Å; D42-R84 WeakPolarHBondContact CA-O 3.44Å; D42-R84 WeakPolarHBondContact OD1-CB 3.43Å; D42-R84 WeakPolarHBondContact OD1-CG 3.35Å; D42-R84 IonicContact OD1-CZ 2.8Å; D42-R84 IonicContact OD1-NE 3.94Å; D42-R84 PolarHBondContact OD1-NE 2.87Å; D42-R84 IonicContact OD1-NH2 2.74Å; D42-R84 IonicContact OD2-CZ 2.68Å; D42-R84 IonicContact OD2-NE 3.13Å; D42-R84 PolarHBondContact OD2-NE 3.22Å; D42-R84 IonicContact OD2-NH2 3.81Å; D42-R84 PolarHBondContact OD2-NH2 3.38Å; D42-F86 HydrophobicContact CB-CD2 4.15Å; D42-F86 HydrophobicContact CB-CE2 3.84Å; D42-Y104 HydrophobicContact CB-CE1 3.91Å; D42-Y104 PolarHBondContact OD2-OH 3.4Å
43V98.8Very high95.8Very high0 Ų021.2 Ų21.20%012%0.119CC..EExtended strand (participates in β ladder)trans-102.4122.2179.1-177.10000109.9V18 M26 A29 V41 F83 R84 F85 F86V18-V43 HydrophobicContact CB-CG2 4.17Å; V18-V43 CarbonylContact O-C 3.6Å; V18-V43 WeakPolarHBondContact O-CA 3.38Å; M26-V43 HydrophobicContact SD-CG1 4.31Å; A29-V43 HydrophobicContact CB-CG2 4.02Å; V41-V43 HydrophobicContact CG1-CG2 4.29Å; V43-F83 HydrophobicContact CB-CE2 4.31Å; V43-F83 HydrophobicContact CB-CZ 4.29Å; V43-F83 HydrophobicContact CG2-CD2 4.31Å; V43-F83 HydrophobicContact CG2-CE2 3.39Å; V43-F83 HydrophobicContact CG2-CZ 3.84Å; V43-R84 PolarHBondContact N-O 3.32Å; V43-F85 HydrophobicContact CB-CD2 4.47Å; V43-F85 HydrophobicContact CG1-CD2 4.49Å; V43-F86 PolarHBondContact O-N 3.44Å
44F98.8Very high95.8Very high2 Ų220.9 Ų20.91%0.00912%0.117CC..EExtended strand (participates in β ladder)trans-100.1133.4178-62.4-88.3000110.6A17 V18 G20 D42 F86 V89 V91 L100 Y104 I414A17-F44 HydrophobicContact CB-CD2 4.3Å; A17-F44 HydrophobicContact CB-CE2 3.83Å; V18-F44 PolarHBondContact O-N 3.44Å; G20-F44 VanDerWaalsContact CA-O 3.28Å; G20-F44 WeakPolarHBondContact CA-O 3.43Å; G20-F44 PolarHBondContact N-O 3.49Å; D42-F44 HydrophobicContact CB-CE2 3.9Å; D42-F44 HydrophobicContact CB-CZ 4.18Å; F44-F86 HydrophobicContact CD1-CB 3.74Å; F44-F86 HydrophobicContact CD1-CD2 4.38Å; F44-F86 HydrophobicContact CD1-CG 4.23Å; F44-F86 HydrophobicContact CE1-CB 3.95Å; F44-F86 AromaticContact CE1-CD2 3.9Å; F44-F86 HydrophobicContact CE1-CD2 3.9Å; F44-F86 AromaticContact CE1-CG 3.92Å; F44-F86 HydrophobicContact CE1-CG 3.92Å; F44-F86 HydrophobicContact CG-CB 4.49Å; F44-F86 HydrophobicContact CZ-CD2 4.06Å; F44-F86 HydrophobicContact CZ-CE2 4.45Å; F44-V89 HydrophobicContact CD1-CB 4.26Å; F44-V89 HydrophobicContact CD1-CG1 3.86Å; F44-V91 HydrophobicContact CB-CG2 3.75Å; F44-V91 HydrophobicContact CD1-CG2 4.49Å; F44-V91 HydrophobicContact CG-CG2 4.12Å; F44-L100 HydrophobicContact CD2-CD1 4.43Å; F44-L100 HydrophobicContact CE1-CD2 4.48Å; F44-L100 HydrophobicContact CE2-CD2 4.08Å; F44-L100 HydrophobicContact CZ-CD2 3.99Å; F44-Y104 HydrophobicContact CE2-CE2 4.41Å; F44-Y104 HydrophobicContact CZ-CE2 4.38Å; F44-Y104 WeakPolarHBondContact CZ-OH 3.39Å; F44-I414 HydrophobicContact CE1-CG1 3.88Å; F44-I414 HydrophobicContact CE1-CG2 4.47Å; F44-I414 HydrophobicContact CZ-CB 4.44Å; F44-I414 HydrophobicContact CZ-CG1 3.86Å; F44-I414 HydrophobicContact CZ-CG2 4.16Å
45E98.4Very high95.9Very high15 Ų1516.9 Ų16.97%0.079%0.087CC..  trans-135.9134.2177.5176.951.7-111.800110.1S21 S47 V49 F85 F86 G87 N88 V89S21-E45 WeakPolarHBondContact CB-OE2 3.44Å; S21-E45 PolarHBondContact N-OE2 3.18Å; S21-E45 VanDerWaalsContact OG-CD 3.29Å; S21-E45 VanDerWaalsContact OG-CG 3.23Å; S21-E45 WeakPolarHBondContact OG-CG 3.34Å; S21-E45 PolarHBondContact OG-OE2 2.95Å; E45-S47 VanDerWaalsContact C-N 3.28Å; E45-S47 WeakPolarHBondContact CG-O 3.44Å; E45-S47 PolarHBondContact O-N 3.17Å; E45-S47 PolarHBondContact OE1-N 2.95Å; E45-S47 VanDerWaalsContact OE1-N 3.13Å; E45-V49 WeakPolarHBondContact CG-O 3.26Å; E45-F85 HydrophobicContact CB-CE2 3.6Å; E45-F85 HydrophobicContact CB-CZ 3.87Å; E45-F85 HydrophobicContact CG-CE2 4.37Å; E45-F85 HydrophobicContact CG-CZ 4.33Å; E45-F86 PolarHBondContact N-O 3.4Å; E45-G87 CarbonylContact O-C 3.5Å; E45-N88 PolarHBondContact O-N 2.82Å; E45-V89 CarbonylContact C-O 3.58Å; E45-V89 PolarHBondContact O-N 3.01Å
46K97.1Very high96Very high83 Ų8316.7 Ų16.736%0.3618%0.084SC..SBendtrans-69.5-29.4179.465.7165.9-168.2176.30112.1N88 V89 N90K46-N88 WeakPolarHBondContact O-CA 3.33Å; K46-V89 PolarHBondContact N-O 3.29Å; K46-N90 HydrophobicContact CB-CB 4.25Å
47S96.9Very high96.3Very high9 Ų916 Ų166%0.0638%0.083CC..SBendtrans-84.7151.4176.8-171.70000110.9E45 V49 G87 N88E45-S47 VanDerWaalsContact C-N 3.28Å; E45-S47 WeakPolarHBondContact CG-O 3.44Å; E45-S47 PolarHBondContact O-N 3.17Å; E45-S47 PolarHBondContact OE1-N 2.95Å; E45-S47 VanDerWaalsContact OE1-N 3.13Å; S47-V49 PolarHBondContact O-N 3.21Å; S47-V49 VanDerWaalsContact O-N 3.08Å; S47-G87 CarbonylContact O-C 3.57Å; S47-G87 WeakPolarHBondContact O-CA 3.29Å; S47-N88 PolarHBondContact O-N 2.92Å
48P97.6Very high96.6Very high0 Ų017.1 Ų17.10%09%0.09CC..SBendtrans-58.6-16.2170.4-25.835.2000114.4N88 V426 E455 M458 L459P48-N88 HydrophobicContact CG-CB 4.18Å; P48-V426 HydrophobicContact CB-CG2 4.14Å; P48-E455 HydrophobicContact CG-CG 4.42Å; P48-M458 HydrophobicContact CB-CB 4.11Å; P48-M458 HydrophobicContact CB-SD 4.27Å; P48-M458 HydrophobicContact CG-CB 4.31Å; P48-M458 HydrophobicContact CG-SD 4.28Å; P48-L459 HydrophobicContact CB-CD2 4.12Å; P48-L459 HydrophobicContact CG-CD2 3.94Å; P48-L459 HydrophobicContact CG-CG 4.12Å
49V98.1Very high96.9Very high1 Ų114.7 Ų14.71%0.0068%0.077CC..SBendtrans-120.3144.5-174.1-54.90000112.5E45 S47 F56 W431 L434 M458E45-V49 WeakPolarHBondContact CG-O 3.26Å; S47-V49 PolarHBondContact O-N 3.21Å; S47-V49 VanDerWaalsContact O-N 3.08Å; V49-F56 HydrophobicContact CG2-CE2 3.79Å; V49-F56 HydrophobicContact CG2-CZ 3.44Å; V49-F56 VanDerWaalsContact CG2-CZ 3.44Å; V49-W431 HydrophobicContact CB-CE3 3.8Å; V49-W431 HydrophobicContact CB-CH2 4.22Å; V49-W431 HydrophobicContact CB-CZ3 3.52Å; V49-W431 HydrophobicContact CG1-CE3 3.62Å; V49-W431 HydrophobicContact CG1-CH2 4.35Å; V49-W431 HydrophobicContact CG1-CZ3 3.3Å; V49-L434 HydrophobicContact CG1-CD2 3.5Å; V49-L434 VanDerWaalsContact CG1-CD2 3.5Å; V49-M458 HydrophobicContact CG1-SD 3.89Å
50P97.8Very high97Very high0 Ų014.6 Ų14.60%08%0.076CC..SBendtrans-82.1-174.5-179.432.1-32.7000113.7S21 G52 F85 W428 W431S21-P50 VanDerWaalsContact OG-CA 3.25Å; S21-P50 WeakPolarHBondContact OG-CA 3.41Å; P50-G52 VanDerWaalsContact C-N 3.27Å; P50-G52 PolarHBondContact O-N 2.93Å; P50-F85 HydrophobicContact CB-CD2 4.36Å; P50-F85 HydrophobicContact CB-CE1 4.45Å; P50-F85 HydrophobicContact CB-CE2 3.71Å; P50-F85 HydrophobicContact CB-CZ 3.76Å; P50-F85 HydrophobicContact CG-CE1 4.5Å; P50-F85 HydrophobicContact CG-CZ 4.24Å; P50-W428 HydrophobicContact CB-CZ3 4.43Å; P50-W428 HydrophobicContact CG-CZ3 4.07Å; P50-W431 HydrophobicContact CG-CD2 3.74Å; P50-W431 VanDerWaalsContact CG-CE2 3.47Å; P50-W431 HydrophobicContact CG-CG 3.85Å; P50-W431 HydrophobicContact CG-CZ2 4.07Å
51F97.4Very high97Very high3 Ų312.8 Ų12.81%0.0137%0.071CC..  trans77.6-7.7171-48.7-63.1000116.3S21 M26 L53 I54 R55 I69 L72 E73 W428 W431S21-F51 CarbonylContact O-C 3.53Å; S21-F51 WeakPolarHBondContact O-CA 3.37Å; S21-F51 PolarHBondContact O-N 3.48Å; S21-F51 VanDerWaalsContact O-N 3.08Å; S21-F51 PolarHBondContact OG-N 3.28Å; M26-F51 HydrophobicContact CE-CD1 4.05Å; M26-F51 HydrophobicContact CE-CE1 3.72Å; M26-F51 HydrophobicContact CG-CD1 4.34Å; F51-L53 PolarHBondContact O-N 3.15Å; F51-L53 VanDerWaalsContact O-N 3.17Å; F51-I54 HydrophobicContact CB-CB 4.26Å; F51-I54 WeakPolarHBondContact O-CB 3.49Å; F51-I54 PolarHBondContact O-N 2.87Å; F51-R55 HydrophobicContact CB-CB 4.14Å; F51-I69 HydrophobicContact CB-CD1 4.31Å; F51-I69 HydrophobicContact CB-CG1 4.42Å; F51-I69 HydrophobicContact CD1-CG1 4.12Å; F51-I69 HydrophobicContact CD2-CD1 4.01Å; F51-I69 HydrophobicContact CD2-CG1 4.17Å; F51-I69 HydrophobicContact CD2-CG2 4.2Å; F51-I69 HydrophobicContact CE1-CG1 4.43Å; F51-I69 HydrophobicContact CE1-CG2 4.14Å; F51-I69 HydrophobicContact CE2-CG1 4.46Å; F51-I69 HydrophobicContact CE2-CG2 3.67Å; F51-I69 HydrophobicContact CG-CD1 4.13Å; F51-I69 HydrophobicContact CG-CG1 3.99Å; F51-I69 HydrophobicContact CZ-CG2 3.65Å; F51-L72 HydrophobicContact CD1-CD1 4.36Å; F51-L72 HydrophobicContact CE1-CB 4.31Å; F51-L72 HydrophobicContact CE1-CD1 4.45Å; F51-E73 HydrophobicContact CZ-CG 3.77Å; F51-W428 HydrophobicContact CE1-CH2 4.38Å; F51-W428 AromaticContact CZ-CH2 3.79Å; F51-W428 HydrophobicContact CZ-CH2 3.79Å; F51-W428 HydrophobicContact CZ-CZ3 4.37Å; F51-W431 HydrophobicContact CD2-CZ2 4.34Å; F51-W431 AromaticContact CE2-CZ2 3.98Å; F51-W431 HydrophobicContact CE2-CZ2 3.98Å; F51-W431 AromaticContact CE2-NE1 3.97Å
52G96Very high96.8Very high16 Ų1613.9 Ų13.917%0.1658%0.076CC..THydrogen-bonded Turntrans43.3-119.9172.700000113.1P50 I54 R55 F56P50-G52 VanDerWaalsContact C-N 3.27Å; P50-G52 PolarHBondContact O-N 2.93Å; G52-I54 VanDerWaalsContact C-N 3.26Å; G52-I54 PolarHBondContact O-N 3.37Å; G52-R55 WeakPolarHBondContact O-CA 3.4Å; G52-R55 WeakPolarHBondContact O-CB 3.41Å; G52-R55 PolarHBondContact O-N 3.45Å; G52-F56 WeakPolarHBondContact O-CD2 3.32Å; G52-F56 PolarHBondContact O-N 2.95Å
53L94.9Very high96.4Very high46 Ų4615.9 Ų15.924%0.2419%0.088CC..Hα-helixtrans-65.7-18.2-177.7-68178.6000115.4F51 R55 G57 V58 Y336 W374F51-L53 PolarHBondContact O-N 3.15Å; F51-L53 VanDerWaalsContact O-N 3.17Å; L53-R55 VanDerWaalsContact C-N 3.27Å; L53-G57 CarbonylContact O-C 3.47Å; L53-G57 WeakPolarHBondContact O-CA 3.5Å; L53-G57 PolarHBondContact O-N 2.71Å; L53-V58 PolarHBondContact O-N 3.26Å; L53-Y336 HydrophobicContact CD2-CE1 4.14Å; L53-W374 HydrophobicContact CD1-CE3 3.68Å; L53-W374 HydrophobicContact CD1-CH2 3.9Å; L53-W374 HydrophobicContact CD1-CZ3 3.27Å
54I95.9Very high96Very high1 Ų122.6 Ų22.61%0.00513%0.125CC..Hα-helixtrans-65-40.8169.8-58.3164.1000109.1P23 F51 G52 I69 L72 L383P23-I54 HydrophobicContact CB-CD1 3.89Å; P23-I54 HydrophobicContact CB-CG1 3.92Å; P23-I54 HydrophobicContact CG-CD1 4.39Å; P23-I54 HydrophobicContact CG-CG1 3.93Å; F51-I54 HydrophobicContact CB-CB 4.26Å; F51-I54 WeakPolarHBondContact O-CB 3.49Å; F51-I54 PolarHBondContact O-N 2.87Å; G52-I54 VanDerWaalsContact C-N 3.26Å; G52-I54 PolarHBondContact O-N 3.37Å; I54-I69 HydrophobicContact CG2-CD1 3.82Å; I54-I69 HydrophobicContact CG2-CG1 3.73Å; I54-L72 HydrophobicContact CD1-CD1 4.02Å; I54-L383 HydrophobicContact CG1-CD1 4.27Å
55R96.4Very high95.7Very high10 Ų1024.7 Ų24.74%0.03814%0.137CC..Hα-helixtrans-80-41.1-179.8178.5175.7170.786.11.6113.1F51 G52 L53 E438 K451F51-R55 HydrophobicContact CB-CB 4.14Å; G52-R55 WeakPolarHBondContact O-CA 3.4Å; G52-R55 WeakPolarHBondContact O-CB 3.41Å; G52-R55 PolarHBondContact O-N 3.45Å; L53-R55 VanDerWaalsContact C-N 3.27Å; R55-E438 IonicContact CZ-OE1 2.71Å; R55-E438 IonicContact CZ-OE2 3.65Å; R55-E438 IonicContact NH1-OE1 2.66Å; R55-E438 IonicContact NH1-OE2 2.98Å; R55-E438 PolarHBondContact NH1-OE2 3.34Å; R55-E438 IonicContact NH2-OE1 3.65Å; R55-E438 PolarHBondContact NH2-OE1 3.05Å; R55-E438 IonicContact NH2-OE2 3.71Å; R55-E438 PolarHBondContact NH2-OE2 2.87Å; R55-K451 PolarHBondContact O-NZ 3.29Å
56F96.1Very high95.4Very high14 Ų1424.9 Ų24.96%0.06114%0.138CC..Hα-helixtrans-107.7-18.4-170.6-60.9-55.2000114.9V49 G52 V136 N140 G141 E142V49-F56 HydrophobicContact CG2-CE2 3.79Å; V49-F56 HydrophobicContact CG2-CZ 3.44Å; V49-F56 VanDerWaalsContact CG2-CZ 3.44Å; G52-F56 WeakPolarHBondContact O-CD2 3.32Å; G52-F56 PolarHBondContact O-N 2.95Å; F56-V136 WeakPolarHBondContact O-CG1 3.21Å; F56-N140 VanDerWaalsContact C-ND2 3.32Å; F56-N140 WeakPolarHBondContact O-CB 3.35Å; F56-N140 PolarHBondContact O-ND2 3.46Å; F56-G141 VanDerWaalsContact CE1-O 3.3Å; F56-G141 WeakPolarHBondContact CE1-O 3.35Å; F56-E142 HydrophobicContact CB-CB 4.24Å; F56-E142 HydrophobicContact CD1-CB 3.9Å; F56-E142 HydrophobicContact CE1-CB 4.46Å; F56-E142 HydrophobicContact CG-CB 4.11Å; F56-E142 HydrophobicContact CG-CG 4.36Å
57G95Very high95.2Very high16 Ų1624.9 Ų24.917%0.16514%0.142CC..THydrogen-bonded Turntrans-103-38-174.700000114.4L53 A59 V136L53-G57 CarbonylContact O-C 3.47Å; L53-G57 WeakPolarHBondContact O-CA 3.5Å; L53-G57 PolarHBondContact O-N 2.71Å; G57-A59 PolarHBondContact O-N 3.5Å; G57-V136 WeakPolarHBondContact O-CG1 3.43Å
58V95.7Very high95Very high24 Ų2425.7 Ų25.715%0.14515%0.147CC..SBendtrans-68.6131.3179.8177.30000109.9L53 H62 V65 K66 N140L53-V58 PolarHBondContact O-N 3.26Å; V58-H62 HydrophobicContact CG1-CB 3.63Å; V58-V65 HydrophobicContact CG1-CB 3.83Å; V58-V65 HydrophobicContact CG1-CG1 3.87Å; V58-V65 HydrophobicContact CG2-CG1 3.87Å; V58-K66 HydrophobicContact CB-CG 4.02Å; V58-K66 HydrophobicContact CG1-CD 4.43Å; V58-K66 HydrophobicContact CG1-CG 3.71Å; V58-K66 WeakPolarHBondContact O-CE 3.45Å; V58-K66 PolarHBondContact O-NZ 2.92Å; V58-N140 PolarHBondContact O-ND2 3.5Å; V58-N140 PolarHBondContact O-OD1 3.35Å; V58-N140 VanDerWaalsContact O-OD1 3.09Å
59A96.9Very high94.9Very high0 Ų027.2 Ų27.20%016%0.155CC..  trans-56.7146.7179.800000111.9G57 D61 H62 D169G57-A59 PolarHBondContact O-N 3.5Å; A59-D61 VanDerWaalsContact CB-OD1 3.31Å; A59-D61 WeakPolarHBondContact CB-OD1 3.43Å; A59-D61 PolarHBondContact O-N 2.82Å; A59-H62 WeakPolarHBondContact O-CB 3.31Å; A59-H62 PolarHBondContact O-N 3.27Å; A59-D169 HydrophobicContact CB-CB 4.27Å
60P96.6Very high94.7Very high0 Ų030.5 Ų30.50%018%0.175CC..THydrogen-bonded Turntrans-63.7-26.5-17625.2-34.8000113.2H62 Y139 T184 D185 I186P60-H62 VanDerWaalsContact C-N 3.3Å; P60-H62 PolarHBondContact O-N 3.32Å; P60-Y139 HydrophobicContact CG-CD2 4.14Å; P60-T184 VanDerWaalsContact O-CB 3.29Å; P60-T184 WeakPolarHBondContact O-CB 3.35Å; P60-T184 WeakPolarHBondContact O-CG2 3.42Å; P60-D185 WeakPolarHBondContact CA-OD1 3.42Å; P60-D185 WeakPolarHBondContact CB-OD1 3.27Å; P60-I186 HydrophobicContact CB-CB 3.84Å; P60-I186 HydrophobicContact CG-CB 3.99Å; P60-I186 HydrophobicContact CG-CD1 4.23Å; P60-I186 HydrophobicContact CG-CG1 4.2Å
61D95Very high94.5Very high27 Ų2731.8 Ų31.814%0.14419%0.188CC..THydrogen-bonded Turntrans-82.3-2.6175.868.3-28.6000114.6A59 V63 R172 K176 L181A59-D61 VanDerWaalsContact CB-OD1 3.31Å; A59-D61 WeakPolarHBondContact CB-OD1 3.43Å; A59-D61 PolarHBondContact O-N 2.82Å; D61-V63 VanDerWaalsContact C-N 3.34Å; D61-V63 PolarHBondContact O-N 2.92Å; D61-R172 IonicContact OD1-CZ 2.81Å; D61-R172 IonicContact OD1-NE 3.34Å; D61-R172 IonicContact OD1-NH2 2.75Å; D61-R172 PolarHBondContact OD1-NH2 2.93Å; D61-R172 IonicContact OD2-CZ 3.63Å; D61-R172 IonicContact OD2-NE 3.68Å; D61-R172 PolarHBondContact OD2-NE 3.27Å; D61-K176 HydrophobicContact CB-CD 4.46Å; D61-K176 IonicContact OD2-NZ 3.9Å; D61-K176 PolarHBondContact OD2-NZ 2.81Å; D61-L181 HydrophobicContact CB-CD2 3.95Å
62H94.5Very high94.4Very high22 Ų2231.7 Ų31.710%0.10219%0.188CC..  trans-96.754.1174.3-75.6-175.8000111.7V58 A59 P60 D64 V65 K66 D169 R172 E219 E222V58-H62 HydrophobicContact CG1-CB 3.63Å; A59-H62 WeakPolarHBondContact O-CB 3.31Å; A59-H62 PolarHBondContact O-N 3.27Å; P60-H62 VanDerWaalsContact C-N 3.3Å; P60-H62 PolarHBondContact O-N 3.32Å; H62-D64 PolarHBondContact O-N 3.01Å; H62-V65 HydrophobicContact CB-CB 4.22Å; H62-V65 HydrophobicContact CB-CG2 4.1Å; H62-V65 PolarHBondContact O-N 3.41Å; H62-K66 PolarHBondContact O-N 2.96Å; H62-D169 IonicContact CE1-OD1 3.98Å; H62-R172 PolarHBondContact CE1-NH2 3.32Å; H62-R172 PolarHBondContact NE2-NH2 3.32Å; H62-E219 IonicContact CE1-OE1 2.61Å; H62-E219 IonicContact CE1-OE2 3.61Å; H62-E219 PolarHBondContact CE1-OE2 2.91Å; H62-E219 IonicContact NE2-OE2 2.64Å; H62-E222 IonicContact CD2-OE2 4Å; H62-E222 IonicContact CE1-OE2 2.8Å; H62-E222 IonicContact NE2-OE2 3.13Å; H62-E222 PolarHBondContact NE2-OE2 3.13Å
63V90.3Very high94.4Very high44 Ų4432.2 Ų32.227%0.26719%0.186SC..Hα-helixtrans-55.7-40.5-179.3-176.40000111.5D61 V65 K66 N67 L448D61-V63 VanDerWaalsContact C-N 3.34Å; D61-V63 PolarHBondContact O-N 2.92Å; V63-V65 VanDerWaalsContact C-N 3.26Å; V63-V65 PolarHBondContact O-N 3.5Å; V63-K66 PolarHBondContact O-N 2.8Å; V63-N67 VanDerWaalsContact O-CG 3.26Å; V63-N67 PolarHBondContact O-N 3.07Å; V63-N67 PolarHBondContact O-ND2 3.45Å; V63-N67 PolarHBondContact O-OD1 3.31Å; V63-L448 HydrophobicContact CG1-CD1 3.85Å; V63-L448 HydrophobicContact CG2-CD1 3.87Å
64D91.4Very high94.4Very high142 Ų14236.6 Ų36.676%0.75920%0.199SC*.Hα-helixtrans-60.3-33.8178.7-67.4-25.8000113.5H62H62-D64 PolarHBondContact O-N 3.01Å
65V91.3Very high94.2Very high45 Ų4537.7 Ų37.727%0.27321%0.205SC..Hα-helixtrans-74.1-39176.7-178.80000110V58 H62 V63 N67 C68 L383V58-V65 HydrophobicContact CG1-CB 3.83Å; V58-V65 HydrophobicContact CG1-CG1 3.87Å; V58-V65 HydrophobicContact CG2-CG1 3.87Å; H62-V65 HydrophobicContact CB-CB 4.22Å; H62-V65 HydrophobicContact CB-CG2 4.1Å; H62-V65 PolarHBondContact O-N 3.41Å; V63-V65 VanDerWaalsContact C-N 3.26Å; V63-V65 PolarHBondContact O-N 3.5Å; V65-N67 VanDerWaalsContact C-N 3.28Å; V65-N67 PolarHBondContact O-N 3Å; V65-C68 PolarHBondContact O-N 2.83Å; V65-C68 PolarHBondContact O-SG 2.98Å; V65-L383 HydrophobicContact CG1-CD2 3.8Å
66K92.7Very high93.9Very high20 Ų2037.4 Ų37.49%0.08720%0.204CC..Hα-helixtrans-67.7-26.3176.1-65.6-174.3177.81790112.9V58 H62 V63 C68 I69 N140 D185V58-K66 HydrophobicContact CB-CG 4.02Å; V58-K66 HydrophobicContact CG1-CD 4.43Å; V58-K66 HydrophobicContact CG1-CG 3.71Å; V58-K66 WeakPolarHBondContact O-CE 3.45Å; V58-K66 PolarHBondContact O-NZ 2.92Å; H62-K66 PolarHBondContact O-N 2.96Å; V63-K66 PolarHBondContact O-N 2.8Å; K66-C68 PolarHBondContact O-N 3.21Å; K66-I69 WeakPolarHBondContact O-CB 3.07Å; K66-I69 WeakPolarHBondContact O-CG1 3.42Å; K66-I69 PolarHBondContact O-N 2.84Å; K66-N140 PolarHBondContact NZ-OD1 3.47Å; K66-D185 IonicContact NZ-OD1 3.61Å; K66-D185 PolarHBondContact NZ-OD1 3.49Å; K66-D185 IonicContact NZ-OD2 3.67Å; K66-D185 PolarHBondContact NZ-OD2 3.21Å
67N92.1Very high93.8Very high82 Ų8241.6 Ų41.644%0.43923%0.227SC..THydrogen-bonded Turntrans-59.9-14.1178.6-74.7-22.3000114.4V63 V65 I69 V70V63-N67 VanDerWaalsContact O-CG 3.26Å; V63-N67 PolarHBondContact O-N 3.07Å; V63-N67 PolarHBondContact O-ND2 3.45Å; V63-N67 PolarHBondContact O-OD1 3.31Å; V65-N67 VanDerWaalsContact C-N 3.28Å; V65-N67 PolarHBondContact O-N 3Å; N67-I69 PolarHBondContact O-N 3.36Å; N67-V70 PolarHBondContact O-N 3.02Å; N67-V70 VanDerWaalsContact O-N 3.11Å
68C93.4Very high93.8Very high27 Ų2750 Ų5018%0.18225%0.254CS..Hα-helixtrans-58-25.7169.667.80000113.1Y27 V65 K66 V70 G71 L72Y27-C68 WeakPolarHBondContact OH-CB 3.28Å; V65-C68 PolarHBondContact O-N 2.83Å; V65-C68 PolarHBondContact O-SG 2.98Å; K66-C68 PolarHBondContact O-N 3.21Å; C68-V70 VanDerWaalsContact C-N 3.29Å; C68-V70 PolarHBondContact O-N 2.97Å; C68-G71 PolarHBondContact O-N 3.12Å; C68-G71 VanDerWaalsContact O-N 3.09Å; C68-L72 PolarHBondContact O-N 2.85Å
69I95.3Very high93.8Very high32 Ų3249.1 Ų49.116%0.16425%0.249CC..Hα-helixtrans-53.9-45.5173-70.5173.3000110.8F51 I54 K66 N67 G71 L72 E73F51-I69 HydrophobicContact CB-CD1 4.31Å; F51-I69 HydrophobicContact CB-CG1 4.42Å; F51-I69 HydrophobicContact CD1-CG1 4.12Å; F51-I69 HydrophobicContact CD2-CD1 4.01Å; F51-I69 HydrophobicContact CD2-CG1 4.17Å; F51-I69 HydrophobicContact CD2-CG2 4.2Å; F51-I69 HydrophobicContact CE1-CG1 4.43Å; F51-I69 HydrophobicContact CE1-CG2 4.14Å; F51-I69 HydrophobicContact CE2-CG1 4.46Å; F51-I69 HydrophobicContact CE2-CG2 3.67Å; F51-I69 HydrophobicContact CG-CD1 4.13Å; F51-I69 HydrophobicContact CG-CG1 3.99Å; F51-I69 HydrophobicContact CZ-CG2 3.65Å; I54-I69 HydrophobicContact CG2-CD1 3.82Å; I54-I69 HydrophobicContact CG2-CG1 3.73Å; K66-I69 WeakPolarHBondContact O-CB 3.07Å; K66-I69 WeakPolarHBondContact O-CG1 3.42Å; K66-I69 PolarHBondContact O-N 2.84Å; N67-I69 PolarHBondContact O-N 3.36Å; I69-G71 PolarHBondContact O-N 3.41Å; I69-L72 PolarHBondContact O-N 3.3Å; I69-E73 HydrophobicContact CG2-CG 3.98Å; I69-E73 WeakPolarHBondContact O-CG 3.2Å; I69-E73 PolarHBondContact O-N 3.49Å
70V94.5Very high93.6Very high70 Ų7051.1 Ų51.142%0.42427%0.269SS..Hα-helixtrans-61.6-33.4-179-177.70000111.6N67 C68 R74N67-V70 PolarHBondContact O-N 3.02Å; N67-V70 VanDerWaalsContact O-N 3.11Å; C68-V70 VanDerWaalsContact C-N 3.29Å; C68-V70 PolarHBondContact O-N 2.97Å; V70-R74 WeakPolarHBondContact O-CB 3.33Å; V70-R74 WeakPolarHBondContact O-CG 3.48Å; V70-R74 PolarHBondContact O-N 2.96Å; V70-R74 PolarHBondContact O-NE 2.66Å
71G93.7Very high93.4Very high27 Ų2757.6 Ų57.628%0.27830%0.304SS..Hα-helixtrans-71.1-42174.200000112.6C68 I69 M75C68-G71 PolarHBondContact O-N 3.12Å; C68-G71 VanDerWaalsContact O-N 3.09Å; I69-G71 PolarHBondContact O-N 3.41Å; G71-M75 PolarHBondContact O-N 2.98Å
72L95.3Very high93.5Very high1 Ų160 Ų601%0.00531%0.311CS..Hα-helixtrans-65.7-47.2177.6-69.4169000111.7M26 Y27 F51 I54 C68 I69 R74 M75 I76M26-L72 HydrophobicContact CB-CD1 3.91Å; M26-L72 HydrophobicContact CB-CD2 4.06Å; Y27-L72 HydrophobicContact CD1-CD2 3.88Å; Y27-L72 HydrophobicContact CE1-CD2 3.88Å; Y27-L72 HydrophobicContact CE1-CG 4.38Å; F51-L72 HydrophobicContact CD1-CD1 4.36Å; F51-L72 HydrophobicContact CE1-CB 4.31Å; F51-L72 HydrophobicContact CE1-CD1 4.45Å; I54-L72 HydrophobicContact CD1-CD1 4.02Å; C68-L72 PolarHBondContact O-N 2.85Å; I69-L72 PolarHBondContact O-N 3.3Å; L72-R74 PolarHBondContact O-N 2.9Å; L72-M75 PolarHBondContact O-N 2.81Å; L72-M75 VanDerWaalsContact O-N 3.13Å; L72-I76 WeakPolarHBondContact O-CG1 3.17Å; L72-I76 PolarHBondContact O-N 2.82Å
73E95.3Very high93.7Very high27 Ų2759.5 Ų59.513%0.12631%0.309CS..Hα-helixtrans-61-44.5177.8-70.4-171.113500112.1F51 I69 M75 I76 N77 W428 K432F51-E73 HydrophobicContact CZ-CG 3.77Å; I69-E73 HydrophobicContact CG2-CG 3.98Å; I69-E73 WeakPolarHBondContact O-CG 3.2Å; I69-E73 PolarHBondContact O-N 3.49Å; E73-M75 PolarHBondContact O-N 2.75Å; E73-I76 PolarHBondContact O-N 3.37Å; E73-N77 WeakPolarHBondContact O-CB 3.37Å; E73-N77 PolarHBondContact O-N 3.13Å; E73-N77 PolarHBondContact O-OD1 2.86Å; E73-W428 HydrophobicContact CB-CZ2 4.38Å; E73-W428 HydrophobicContact CG-CH2 4.12Å; E73-W428 HydrophobicContact CG-CZ2 3.97Å; E73-K432 IonicContact OE1-NZ 3.59Å; E73-K432 PolarHBondContact OE1-NZ 2.92Å; E73-K432 IonicContact OE2-NZ 3.61Å
74R95.1Very high94Very high138 Ų13859 Ų5952%0.52130%0.302SS..Hα-helixtrans-58.4-34.5175.7-84.5-178.4-73.4162.7-8.7112.6V70 L72 R78V70-R74 WeakPolarHBondContact O-CB 3.33Å; V70-R74 WeakPolarHBondContact O-CG 3.48Å; V70-R74 PolarHBondContact O-N 2.96Å; V70-R74 PolarHBondContact O-NE 2.66Å; L72-R74 PolarHBondContact O-N 2.9Å; R74-R78 VanDerWaalsContact O-CG 3.27Å; R74-R78 WeakPolarHBondContact O-CG 3.47Å; R74-R78 PolarHBondContact O-N 2.76Å; R74-R78 PolarHBondContact O-NE 3.47Å
75M90.6Very high94.4Very high24 Ų2452.3 Ų52.312%0.11827%0.266CS..Hα-helixtrans-75.5-42.4177.5176.6-82.8-49.400111.4Q30 L33 G71 L72 E73 N77 R78 A79Q30-M75 VanDerWaalsContact CA-CE 3.45Å; Q30-M75 HydrophobicContact CB-CE 3.44Å; Q30-M75 VanDerWaalsContact CB-CE 3.44Å; Q30-M75 HydrophobicContact CB-SD 4.23Å; Q30-M75 HydrophobicContact CG-CE 3.75Å; Q30-M75 HydrophobicContact CG-CG 4.02Å; Q30-M75 HydrophobicContact CG-SD 4.16Å; L33-M75 HydrophobicContact CB-SD 4.26Å; L33-M75 HydrophobicContact CD1-CE 4.32Å; L33-M75 HydrophobicContact CD1-SD 3.49Å; L33-M75 WeakPolarHBondContact CD1-SD 3.36Å; G71-M75 PolarHBondContact O-N 2.98Å; L72-M75 PolarHBondContact O-N 2.81Å; L72-M75 VanDerWaalsContact O-N 3.13Å; E73-M75 PolarHBondContact O-N 2.75Å; M75-N77 PolarHBondContact O-N 3.09Å; M75-R78 PolarHBondContact O-N 3.28Å; M75-R78 VanDerWaalsContact O-N 3.17Å; M75-A79 PolarHBondContact O-N 2.95Å
76I92.1Very high94.7Very high4 Ų450.2 Ų50.22%0.02125%0.253CS..Hα-helixtrans-59.3-47.7175.7-72.6161000111M26 L72 E73 R78 A79 G80 F83 W428M26-I76 HydrophobicContact CE-CD1 3.37Å; L72-I76 WeakPolarHBondContact O-CG1 3.17Å; L72-I76 PolarHBondContact O-N 2.82Å; E73-I76 PolarHBondContact O-N 3.37Å; I76-R78 PolarHBondContact O-N 3.24Å; I76-A79 WeakPolarHBondContact O-CB 3.41Å; I76-A79 PolarHBondContact O-N 2.86Å; I76-G80 PolarHBondContact O-N 3.19Å; I76-F83 HydrophobicContact CB-CD1 4.3Å; I76-F83 HydrophobicContact CB-CE1 4.4Å; I76-F83 HydrophobicContact CD1-CE1 4.04Å; I76-F83 HydrophobicContact CD1-CE2 4.24Å; I76-F83 HydrophobicContact CD1-CZ 3.78Å; I76-F83 HydrophobicContact CG1-CD1 4.19Å; I76-F83 HydrophobicContact CG1-CD2 4.23Å; I76-F83 HydrophobicContact CG1-CE1 4Å; I76-F83 HydrophobicContact CG1-CE2 4.02Å; I76-F83 HydrophobicContact CG1-CG 4.28Å; I76-F83 HydrophobicContact CG1-CZ 3.91Å; I76-F83 HydrophobicContact CG2-CD1 3.31Å; I76-F83 HydrophobicContact CG2-CE1 3.51Å; I76-F83 HydrophobicContact CG2-CG 3.96Å; I76-F83 HydrophobicContact CG2-CZ 4.29Å; I76-W428 HydrophobicContact CB-CH2 4.45Å; I76-W428 HydrophobicContact CB-CZ2 4.03Å; I76-W428 HydrophobicContact CD1-CH2 3.38Å; I76-W428 HydrophobicContact CD1-CZ2 3.84Å; I76-W428 HydrophobicContact CD1-CZ3 3.84Å; I76-W428 HydrophobicContact CG1-CH2 4.48Å; I76-W428 HydrophobicContact CG2-CD2 3.89Å; I76-W428 VanDerWaalsContact CG2-CE2 3.46Å; I76-W428 HydrophobicContact CG2-CE3 4.42Å; I76-W428 HydrophobicContact CG2-CG 4.35Å; I76-W428 HydrophobicContact CG2-CH2 4.19Å; I76-W428 HydrophobicContact CG2-CZ2 3.63Å
77N93.1Very high95Very high101 Ų10149.3 Ų49.354%0.5425%0.249SC..Hα-helixtrans-62.7-29179.5-65.8-10.4000112.3E73 M75 W428E73-N77 WeakPolarHBondContact O-CB 3.37Å; E73-N77 PolarHBondContact O-N 3.13Å; E73-N77 PolarHBondContact O-OD1 2.86Å; M75-N77 PolarHBondContact O-N 3.09Å; N77-W428 PolarHBondContact OD1-NE1 2.91Å
78R95Very high95.3Very high193 Ų19347.1 Ų47.173%0.72824%0.238SC*.Hα-helixtrans-77.3-27.8172.8-71.7176.6-148.1179.91.3113.1R74 M75 I76R74-R78 VanDerWaalsContact O-CG 3.27Å; R74-R78 WeakPolarHBondContact O-CG 3.47Å; R74-R78 PolarHBondContact O-N 2.76Å; R74-R78 PolarHBondContact O-NE 3.47Å; M75-R78 PolarHBondContact O-N 3.28Å; M75-R78 VanDerWaalsContact O-N 3.17Å; I76-R78 PolarHBondContact O-N 3.24Å
79A94.8Very high95.5Very high6 Ų645.9 Ų45.95%0.0523%0.229CC..Hα-helixtrans-69.4-27.9177.700000111.8L33 M75 I76 R82 F83L33-A79 HydrophobicContact CD1-CB 3.78Å; L33-A79 HydrophobicContact CD2-CB 3.92Å; L33-A79 HydrophobicContact CG-CB 4.38Å; M75-A79 PolarHBondContact O-N 2.95Å; I76-A79 WeakPolarHBondContact O-CB 3.41Å; I76-A79 PolarHBondContact O-N 2.86Å; A79-R82 WeakPolarHBondContact O-CB 3.28Å; A79-R82 PolarHBondContact O-N 3.48Å; A79-F83 HydrophobicContact CB-CB 3.93Å
80G93.4Very high95.6Very high41 Ų4146.6 Ų46.642%0.42323%0.233SC..G310 helixtrans62.4-133.7178.800000111.6I76 R82 F83I76-G80 PolarHBondContact O-N 3.19Å; G80-R82 PolarHBondContact O-N 2.96Å; G80-F83 PolarHBondContact O-N 3.26Å; G80-F83 VanDerWaalsContact O-N 3.09Å
81D93.5Very high95.8Very high136 Ų13643.7 Ų43.773%0.72722%0.216SC*.G310 helixtrans-64.2-16.5179.456.6-26000114.9F83D81-F83 PolarHBondContact O-N 2.96Å
82R95.8Very high95.9Very high78 Ų7843.7 Ų43.729%0.29422%0.216SC..G310 helixtrans-69.6-14.8171.1-61.3-171.1-61.4127.8-5.7113.2L33 R40 V41 A79 G80L33-R82 HydrophobicContact CD2-CB 4.08Å; L33-R82 PolarHBondContact O-NH1 2.97Å; R40-R82 CarbonylContact C-O 3.3Å; R40-R82 WeakPolarHBondContact CA-O 3.34Å; V41-R82 PolarHBondContact N-O 3.07Å; A79-R82 WeakPolarHBondContact O-CB 3.28Å; A79-R82 PolarHBondContact O-N 3.48Å; G80-R82 PolarHBondContact O-N 2.96Å
83F98.1Very high96Very high12 Ų1251.8 Ų51.85%0.05325%0.251CS..EExtended strand (participates in β ladder)trans-116.5130.9174.1178.5-89.5000110.5M26 A29 L33 V41 V43 I76 A79 G80 D81 F85 W428M26-F83 HydrophobicContact CE-CZ 4.42Å; A29-F83 HydrophobicContact CB-CE2 4.35Å; L33-F83 HydrophobicContact CD1-CB 4.22Å; L33-F83 HydrophobicContact CD1-CD2 3.93Å; L33-F83 HydrophobicContact CD1-CG 4.48Å; V41-F83 WeakPolarHBondContact O-CA 3.44Å; V43-F83 HydrophobicContact CB-CE2 4.31Å; V43-F83 HydrophobicContact CB-CZ 4.29Å; V43-F83 HydrophobicContact CG2-CD2 4.31Å; V43-F83 HydrophobicContact CG2-CE2 3.39Å; V43-F83 HydrophobicContact CG2-CZ 3.84Å; I76-F83 HydrophobicContact CB-CD1 4.3Å; I76-F83 HydrophobicContact CB-CE1 4.4Å; I76-F83 HydrophobicContact CD1-CE1 4.04Å; I76-F83 HydrophobicContact CD1-CE2 4.24Å; I76-F83 HydrophobicContact CD1-CZ 3.78Å; I76-F83 HydrophobicContact CG1-CD1 4.19Å; I76-F83 HydrophobicContact CG1-CD2 4.23Å; I76-F83 HydrophobicContact CG1-CE1 4Å; I76-F83 HydrophobicContact CG1-CE2 4.02Å; I76-F83 HydrophobicContact CG1-CG 4.28Å; I76-F83 HydrophobicContact CG1-CZ 3.91Å; I76-F83 HydrophobicContact CG2-CD1 3.31Å; I76-F83 HydrophobicContact CG2-CE1 3.51Å; I76-F83 HydrophobicContact CG2-CG 3.96Å; I76-F83 HydrophobicContact CG2-CZ 4.29Å; A79-F83 HydrophobicContact CB-CB 3.93Å; G80-F83 PolarHBondContact O-N 3.26Å; G80-F83 VanDerWaalsContact O-N 3.09Å; D81-F83 PolarHBondContact O-N 2.96Å; F83-F85 HydrophobicContact CE1-CB 3.98Å; F83-F85 HydrophobicContact CZ-CB 4.45Å; F83-W428 HydrophobicContact CE1-CD2 4.24Å; F83-W428 AromaticContact CE1-CE3 3.91Å; F83-W428 HydrophobicContact CE1-CE3 3.91Å; F83-W428 HydrophobicContact CE1-CZ3 4.31Å
84R98.3Very high96.1Very high32 Ų3253 Ų5312%0.12126%0.258CS..EExtended strand (participates in β ladder)trans-128.5138.3169.7-51.7-171.9-71.7177.37.8110.3V41 D42 V43 F86 D413V41-R84 PolarHBondContact O-N 2.92Å; D42-R84 CarbonylContact C-O 3.57Å; D42-R84 WeakPolarHBondContact CA-O 3.44Å; D42-R84 WeakPolarHBondContact OD1-CB 3.43Å; D42-R84 WeakPolarHBondContact OD1-CG 3.35Å; D42-R84 IonicContact OD1-CZ 2.8Å; D42-R84 IonicContact OD1-NE 3.94Å; D42-R84 PolarHBondContact OD1-NE 2.87Å; D42-R84 IonicContact OD1-NH2 2.74Å; D42-R84 IonicContact OD2-CZ 2.68Å; D42-R84 IonicContact OD2-NE 3.13Å; D42-R84 PolarHBondContact OD2-NE 3.22Å; D42-R84 IonicContact OD2-NH2 3.81Å; D42-R84 PolarHBondContact OD2-NH2 3.38Å; V43-R84 PolarHBondContact N-O 3.32Å; R84-F86 HydrophobicContact CB-CD2 4.4Å; R84-F86 HydrophobicContact CB-CE2 3.72Å; R84-F86 HydrophobicContact CB-CZ 4.29Å; R84-D413 IonicContact CZ-OD1 2.91Å; R84-D413 IonicContact CZ-OD2 3.17Å; R84-D413 IonicContact NH1-OD1 2.62Å; R84-D413 PolarHBondContact NH1-OD1 2.79Å; R84-D413 IonicContact NH1-OD2 2.73Å; R84-D413 PolarHBondContact NH1-OD2 3.13Å; R84-D413 IonicContact NH2-OD1 3.33Å; R84-D413 PolarHBondContact NH2-OD1 3.18Å; R84-D413 IonicContact NH2-OD2 2.71Å
85F98.5Very high96.2Very high3 Ų346.5 Ų46.51%0.01323%0.234CC..EExtended strand (participates in β ladder)trans-104.9137.2172.3177-112.8000109.5V43 E45 P50 F83 G87 V426 D427 W428 W431V43-F85 HydrophobicContact CB-CD2 4.47Å; V43-F85 HydrophobicContact CG1-CD2 4.49Å; E45-F85 HydrophobicContact CB-CE2 3.6Å; E45-F85 HydrophobicContact CB-CZ 3.87Å; E45-F85 HydrophobicContact CG-CE2 4.37Å; E45-F85 HydrophobicContact CG-CZ 4.33Å; P50-F85 HydrophobicContact CB-CD2 4.36Å; P50-F85 HydrophobicContact CB-CE1 4.45Å; P50-F85 HydrophobicContact CB-CE2 3.71Å; P50-F85 HydrophobicContact CB-CZ 3.76Å; P50-F85 HydrophobicContact CG-CE1 4.5Å; P50-F85 HydrophobicContact CG-CZ 4.24Å; F83-F85 HydrophobicContact CE1-CB 3.98Å; F83-F85 HydrophobicContact CZ-CB 4.45Å; F85-G87 VanDerWaalsContact CE1-CA 3.5Å; F85-G87 VanDerWaalsContact CZ-CA 3.43Å; F85-V426 WeakPolarHBondContact CD1-O 3.42Å; F85-D427 WeakPolarHBondContact O-CA 3.37Å; F85-W428 HydrophobicContact CB-CB 4.11Å; F85-W428 HydrophobicContact CB-CE3 3.92Å; F85-W428 HydrophobicContact CD1-CE3 4.48Å; F85-W428 HydrophobicContact CG-CE3 4.19Å; F85-W431 HydrophobicContact CD1-CB 4.43Å; F85-W431 HydrophobicContact CE1-CB 4.32Å
86F98.6Very high96.5Very high1 Ų146.6 Ų46.60%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-12780.1175.2-66.2-86.5000108.3D42 V43 F44 E45 R84 V89 I414 K415 L418 W425D42-F86 HydrophobicContact CB-CD2 4.15Å; D42-F86 HydrophobicContact CB-CE2 3.84Å; V43-F86 PolarHBondContact O-N 3.44Å; F44-F86 HydrophobicContact CD1-CB 3.74Å; F44-F86 HydrophobicContact CD1-CD2 4.38Å; F44-F86 HydrophobicContact CD1-CG 4.23Å; F44-F86 HydrophobicContact CE1-CB 3.95Å; F44-F86 AromaticContact CE1-CD2 3.9Å; F44-F86 HydrophobicContact CE1-CD2 3.9Å; F44-F86 AromaticContact CE1-CG 3.92Å; F44-F86 HydrophobicContact CE1-CG 3.92Å; F44-F86 HydrophobicContact CG-CB 4.49Å; F44-F86 HydrophobicContact CZ-CD2 4.06Å; F44-F86 HydrophobicContact CZ-CE2 4.45Å; E45-F86 PolarHBondContact N-O 3.4Å; R84-F86 HydrophobicContact CB-CD2 4.4Å; R84-F86 HydrophobicContact CB-CE2 3.72Å; R84-F86 HydrophobicContact CB-CZ 4.29Å; F86-V89 HydrophobicContact CB-CG2 4.03Å; F86-I414 HydrophobicContact CE1-CG2 4.03Å; F86-I414 HydrophobicContact CE2-CG2 3.97Å; F86-I414 HydrophobicContact CZ-CG2 3.57Å; F86-K415 HydrophobicContact CE1-CG 3.85Å; F86-K415 HydrophobicContact CZ-CG 4.16Å; F86-L418 HydrophobicContact CD1-CD1 3.71Å; F86-L418 HydrophobicContact CE1-CD1 4Å; F86-W425 AromaticContact CD1-CD1 3.78Å; F86-W425 HydrophobicContact CD1-CG 4.08Å
87G98.4Very high96.7Very high0 Ų046.4 Ų46.40%024%0.236CC..BIsolated β-bridgetrans-74.9158171.200000111.7E45 S47 F85 V89 W425 V426E45-G87 CarbonylContact O-C 3.5Å; S47-G87 CarbonylContact O-C 3.57Å; S47-G87 WeakPolarHBondContact O-CA 3.29Å; F85-G87 VanDerWaalsContact CE1-CA 3.5Å; F85-G87 VanDerWaalsContact CZ-CA 3.43Å; G87-V89 PolarHBondContact O-N 2.87Å; G87-W425 CarbonylContact O-C 3.56Å; G87-W425 WeakPolarHBondContact O-CA 3.38Å; G87-W425 WeakPolarHBondContact O-CB 3.28Å; G87-V426 PolarHBondContact N-O 3.33Å; G87-V426 PolarHBondContact O-N 2.8Å
88N98.2Very high96.8Very high37 Ų3748.9 Ų48.920%0.19824%0.238CC..THydrogen-bonded Turntrans58.233.1-173.3-160.155.4000113.7E45 K46 S47 P48 R424 L459E45-N88 PolarHBondContact O-N 2.82Å; K46-N88 WeakPolarHBondContact O-CA 3.33Å; S47-N88 PolarHBondContact O-N 2.92Å; P48-N88 HydrophobicContact CG-CB 4.18Å; N88-R424 PolarHBondContact ND2-O 3.19Å; N88-L459 HydrophobicContact CB-CD2 4.08Å
89V98.5Very high96.8Very high1 Ų140.9 Ų40.91%0.00621%0.21CC..  trans-120.8108.4174.5-178.20000109.7F44 E45 K46 F86 G87 V91 V95 L418 V423 W425F44-V89 HydrophobicContact CD1-CB 4.26Å; F44-V89 HydrophobicContact CD1-CG1 3.86Å; E45-V89 CarbonylContact C-O 3.58Å; E45-V89 PolarHBondContact O-N 3.01Å; K46-V89 PolarHBondContact N-O 3.29Å; F86-V89 HydrophobicContact CB-CG2 4.03Å; G87-V89 PolarHBondContact O-N 2.87Å; V89-V91 PolarHBondContact O-N 2.91Å; V89-V95 HydrophobicContact CG1-CG2 4.07Å; V89-L418 HydrophobicContact CG1-CD2 3.9Å; V89-L418 HydrophobicContact CG2-CD1 4.26Å; V89-L418 HydrophobicContact CG2-CD2 4.27Å; V89-V423 HydrophobicContact CG2-CG1 4.17Å; V89-W425 HydrophobicContact CG2-CB 3.57Å
90N97.5Very high96.9Very high47 Ų4740.6 Ų40.625%0.25121%0.207SC..  trans-90.894.2-177.8-164.9-23.6000111.1K46 G92 K93 D94K46-N90 HydrophobicContact CB-CB 4.25Å; N90-G92 PolarHBondContact O-N 2.91Å; N90-K93 HydrophobicContact CB-CB 4.22Å; N90-K93 PolarHBondContact O-N 2.77Å; N90-D94 WeakPolarHBondContact CA-OD2 3.45Å; N90-D94 VanDerWaalsContact CB-OD2 3.25Å; N90-D94 WeakPolarHBondContact CB-OD2 3.43Å; N90-D94 PolarHBondContact N-OD2 3.47Å; N90-D94 PolarHBondContact O-N 2.85Å
91V98Very high96.9Very high8 Ų839.4 Ų39.45%0.04819%0.193CC..BIsolated β-bridgetrans-64.2127173.7-175.30000110.1V19 F44 V89 V95 V97 L100 I341V19-V91 HydrophobicContact CG1-CB 3.66Å; V19-V91 HydrophobicContact CG1-CG1 3.98Å; V19-V91 HydrophobicContact CG1-CG2 3.79Å; V19-V91 HydrophobicContact CG2-CB 4.48Å; V19-V91 HydrophobicContact CG2-CG1 4.16Å; V19-V91 HydrophobicContact CG2-CG2 4.18Å; F44-V91 HydrophobicContact CB-CG2 3.75Å; F44-V91 HydrophobicContact CD1-CG2 4.49Å; F44-V91 HydrophobicContact CG-CG2 4.12Å; V89-V91 PolarHBondContact O-N 2.91Å; V91-V95 CarbonylContact C-O 3.51Å; V91-V95 WeakPolarHBondContact CA-O 3.13Å; V91-V95 HydrophobicContact CB-CG2 4.44Å; V91-V95 HydrophobicContact CG2-CG2 3.93Å; V91-V97 HydrophobicContact CG1-CG2 3.85Å; V91-L100 HydrophobicContact CG1-CD1 3.78Å; V91-L100 HydrophobicContact CG2-CD1 4.03Å; V91-I341 HydrophobicContact CG1-CD1 4.37Å
92G96Very high97Very high28 Ų2837.7 Ų37.729%0.28918%0.181SC..THydrogen-bonded Turntrans102.7-14.4-167.900000113.2N90 V95N90-G92 PolarHBondContact O-N 2.91Å; G92-V95 PolarHBondContact N-O 3.08Å
93K96.2Very high96.9Very high170 Ų17034.4 Ų34.474%0.73917%0.169SC*.THydrogen-bonded Turntrans-122.5-60.4174.1-61.6-169-175.9-178.70112.6N90N90-K93 HydrophobicContact CB-CB 4.22Å; N90-K93 PolarHBondContact O-N 2.77Å
94D97.6Very high96.8Very high53 Ų5334.1 Ų34.128%0.28317%0.168SC..THydrogen-bonded Turntrans-80-38.2-176-56.8-38.9000111.3N90 R421 V423N90-D94 WeakPolarHBondContact CA-OD2 3.45Å; N90-D94 VanDerWaalsContact CB-OD2 3.25Å; N90-D94 WeakPolarHBondContact CB-OD2 3.43Å; N90-D94 PolarHBondContact N-OD2 3.47Å; N90-D94 PolarHBondContact O-N 2.85Å; D94-R421 WeakPolarHBondContact O-CD 3.16Å; D94-R421 PolarHBondContact O-NH1 3.32Å; D94-V423 HydrophobicContact CB-CG1 4.33Å; D94-V423 HydrophobicContact CB-CG2 3.88Å
95V97Very high96.6Very high1 Ų133.6 Ų33.61%0.00617%0.167CC..BIsolated β-bridgetrans-137.3138.5173.7-63.30000109.8V89 V91 G92 L100 I414 M417 L418V89-V95 HydrophobicContact CG1-CG2 4.07Å; V91-V95 CarbonylContact C-O 3.51Å; V91-V95 WeakPolarHBondContact CA-O 3.13Å; V91-V95 HydrophobicContact CB-CG2 4.44Å; V91-V95 HydrophobicContact CG2-CG2 3.93Å; G92-V95 PolarHBondContact N-O 3.08Å; V95-L100 HydrophobicContact CG2-CD2 4.35Å; V95-I414 HydrophobicContact CG1-CD1 4.3Å; V95-M417 HydrophobicContact CG1-CG 4.43Å; V95-M417 HydrophobicContact CG1-SD 4.08Å; V95-L418 HydrophobicContact CG1-CD2 3.73Å
96S97.1Very high96.4Very high26 Ų2633.4 Ų33.418%0.18217%0.166CC..  trans-81.3155.6176.360.50000111.4R98 N99 L100 E342S96-R98 PolarHBondContact O-N 3.13Å; S96-N99 PolarHBondContact N-OD1 2.85Å; S96-N99 WeakPolarHBondContact O-CB 3.4Å; S96-N99 PolarHBondContact O-N 3.27Å; S96-N99 PolarHBondContact OG-N 3.29Å; S96-N99 PolarHBondContact OG-OD1 3.04Å; S96-L100 PolarHBondContact O-N 3.49Å; S96-E342 VanDerWaalsContact CB-OE1 3.31Å; S96-E342 WeakPolarHBondContact CB-OE1 3.47Å
97V97.2Very high96.4Very high0 Ų033.4 Ų33.40%017%0.166CC..Hα-helixtrans-59.2-32.7168.8177.70000110.4V91 L100 A101 L109 I341 E342 L345 L346 L369V91-V97 HydrophobicContact CG1-CG2 3.85Å; V97-L100 PolarHBondContact O-N 3.42Å; V97-A101 WeakPolarHBondContact O-CB 3.44Å; V97-A101 PolarHBondContact O-N 3.19Å; V97-L109 HydrophobicContact CG1-CD2 4.28Å; V97-L109 HydrophobicContact CG2-CD2 4.14Å; V97-I341 HydrophobicContact CG2-CD1 4.07Å; V97-E342 WeakPolarHBondContact CB-OE2 3.35Å; V97-E342 WeakPolarHBondContact CG2-OE2 3.04Å; V97-E342 PolarHBondContact N-OE2 3.38Å; V97-L345 HydrophobicContact CB-CD2 4.16Å; V97-L346 HydrophobicContact CG1-CD2 4.14Å; V97-L346 HydrophobicContact CG2-CD1 4.32Å; V97-L369 HydrophobicContact CG1-CD1 3.87Å; V97-L369 HydrophobicContact CG1-CD2 3.71Å; V97-L369 HydrophobicContact CG1-CG 4.46Å
98R95Very high96.4Very high153 Ų15333.4 Ų33.458%0.57717%0.166SC*.Hα-helixtrans-61.2-43.3172.7-178.8-179-71.5178.7-1.7112.1S96 L100 A101 Q102 L345S96-R98 PolarHBondContact O-N 3.13Å; R98-L100 VanDerWaalsContact C-N 3.31Å; R98-L100 PolarHBondContact O-N 3.39Å; R98-A101 PolarHBondContact O-N 3.38Å; R98-Q102 WeakPolarHBondContact O-CG 3.4Å; R98-Q102 PolarHBondContact O-N 3.2Å; R98-Q102 VanDerWaalsContact O-N 3.13Å; R98-L345 HydrophobicContact CB-CD2 4.07Å
99N95.3Very high96.4Very high26 Ų2631.6 Ų31.614%0.13916%0.157CC..Hα-helixtrans-60.6-44.4176.4-65.3143.4000110.8S96 Q102 L103 M417 R421S96-N99 PolarHBondContact N-OD1 2.85Å; S96-N99 WeakPolarHBondContact O-CB 3.4Å; S96-N99 PolarHBondContact O-N 3.27Å; S96-N99 PolarHBondContact OG-N 3.29Å; S96-N99 PolarHBondContact OG-OD1 3.04Å; N99-Q102 PolarHBondContact O-N 2.93Å; N99-L103 WeakPolarHBondContact O-CG 3.42Å; N99-L103 PolarHBondContact O-N 2.98Å; N99-M417 HydrophobicContact CB-CE 3.97Å; N99-M417 HydrophobicContact CB-SD 3.7Å; N99-R421 PolarHBondContact OD1-NH1 3.24Å; N99-R421 VanDerWaalsContact OD1-NH1 3.14Å; N99-R421 PolarHBondContact OD1-NH2 2.99Å
100L96.7Very high96.4Very high0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-62.6-45.7175.9-57.7-178.4000111.2V19 F44 V91 V95 S96 V97 R98 Q102 L103 Y104 V107 I414V19-L100 HydrophobicContact CG2-CD1 3.66Å; F44-L100 HydrophobicContact CD2-CD1 4.43Å; F44-L100 HydrophobicContact CE1-CD2 4.48Å; F44-L100 HydrophobicContact CE2-CD2 4.08Å; F44-L100 HydrophobicContact CZ-CD2 3.99Å; V91-L100 HydrophobicContact CG1-CD1 3.78Å; V91-L100 HydrophobicContact CG2-CD1 4.03Å; V95-L100 HydrophobicContact CG2-CD2 4.35Å; S96-L100 PolarHBondContact O-N 3.49Å; V97-L100 PolarHBondContact O-N 3.42Å; R98-L100 VanDerWaalsContact C-N 3.31Å; R98-L100 PolarHBondContact O-N 3.39Å; L100-Q102 PolarHBondContact O-N 3.45Å; L100-Q102 VanDerWaalsContact O-N 3.08Å; L100-L103 PolarHBondContact O-N 2.77Å; L100-Y104 HydrophobicContact CB-CD2 4.17Å; L100-Y104 HydrophobicContact CD2-CD2 4.24Å; L100-Y104 HydrophobicContact CD2-CE2 3.75Å; L100-Y104 VanDerWaalsContact O-CD2 3.28Å; L100-Y104 WeakPolarHBondContact O-CD2 3.36Å; L100-Y104 PolarHBondContact O-N 2.81Å; L100-V107 HydrophobicContact CB-CG1 4.15Å; L100-V107 HydrophobicContact CB-CG2 3.82Å; L100-V107 HydrophobicContact CD1-CG1 4.29Å; L100-I414 HydrophobicContact CD2-CD1 3.91Å
101A94.5Very high96.4Very high15 Ų1530.3 Ų30.312%0.12415%0.15CC..Hα-helixtrans-61.9-21.1179.500000114V97 R98 V107 N368 L369V97-A101 WeakPolarHBondContact O-CB 3.44Å; V97-A101 PolarHBondContact O-N 3.19Å; R98-A101 PolarHBondContact O-N 3.38Å; A101-V107 HydrophobicContact CB-CG2 4.5Å; A101-N368 PolarHBondContact O-ND2 3.29Å; A101-L369 HydrophobicContact CB-CD2 4.06Å
102Q93.6Very high96.3Very high101 Ų10130.6 Ų30.647%0.47215%0.154SC..Hα-helixtrans-83.7-32.2174.5-71.9170.4-19.600113.2R98 N99 L100R98-Q102 WeakPolarHBondContact O-CG 3.4Å; R98-Q102 PolarHBondContact O-N 3.2Å; R98-Q102 VanDerWaalsContact O-N 3.13Å; N99-Q102 PolarHBondContact O-N 2.93Å; L100-Q102 PolarHBondContact O-N 3.45Å; L100-Q102 VanDerWaalsContact O-N 3.08Å
103L94.2Very high96.2Very high8 Ų829.4 Ų29.44%0.04214%0.141CC..Hα-helixtrans-92.1-27.4-174.9-65.3175.7000113.4R15 N99 L100 A410 M412 I414 M417R15-L103 PolarHBondContact NH1-O 3.47Å; R15-L103 PolarHBondContact NH2-O 2.77Å; N99-L103 WeakPolarHBondContact O-CG 3.42Å; N99-L103 PolarHBondContact O-N 2.98Å; L100-L103 PolarHBondContact O-N 2.77Å; L103-A410 HydrophobicContact CD2-CB 4.17Å; L103-M412 HydrophobicContact CD2-CB 3.86Å; L103-M412 HydrophobicContact CD2-CG 4.38Å; L103-I414 HydrophobicContact CD1-CD1 3.65Å; L103-M417 HydrophobicContact CD1-CE 4.06Å
104Y95.6Very high95.7Very high7 Ų724.8 Ų24.83%0.02712%0.122CC..  trans-112.5150.5-174.3-64.1-91.1000112.1R15 L16 A17 D42 F44 L100 G106 N368 I414R15-Y104 HydrophobicContact CB-CD1 3.99Å; L16-Y104 VanDerWaalsContact C-CD1 3.42Å; A17-Y104 HydrophobicContact CB-CD1 3.77Å; A17-Y104 HydrophobicContact CB-CD2 3.67Å; A17-Y104 HydrophobicContact CB-CE1 3.98Å; A17-Y104 HydrophobicContact CB-CE2 3.91Å; A17-Y104 HydrophobicContact CB-CG 3.62Å; D42-Y104 HydrophobicContact CB-CE1 3.91Å; D42-Y104 PolarHBondContact OD2-OH 3.4Å; F44-Y104 HydrophobicContact CE2-CE2 4.41Å; F44-Y104 HydrophobicContact CZ-CE2 4.38Å; F44-Y104 WeakPolarHBondContact CZ-OH 3.39Å; L100-Y104 HydrophobicContact CB-CD2 4.17Å; L100-Y104 HydrophobicContact CD2-CD2 4.24Å; L100-Y104 HydrophobicContact CD2-CE2 3.75Å; L100-Y104 VanDerWaalsContact O-CD2 3.28Å; L100-Y104 WeakPolarHBondContact O-CD2 3.36Å; L100-Y104 PolarHBondContact O-N 2.81Å; Y104-G106 VanDerWaalsContact C-N 3.32Å; Y104-N368 PolarHBondContact O-ND2 3.04Å; Y104-I414 WeakPolarHBondContact OH-CB 3.39Å; Y104-I414 VanDerWaalsContact OH-CG2 3.25Å; Y104-I414 WeakPolarHBondContact OH-CG2 3.25Å
105D94.5Very high95.4Very high20 Ų2025.5 Ų25.511%0.10712%0.124CC..SBendtrans-69.1-34.5175.1-61.7-58.4000111.7V14 R15 N368 L401 S407V14-D105 HydrophobicContact CG1-CB 3.76Å; R15-D105 PolarHBondContact N-OD2 3.46Å; R15-D105 WeakPolarHBondContact O-CB 3.38Å; R15-D105 PolarHBondContact O-N 2.9Å; D105-N368 WeakPolarHBondContact O-CB 3.4Å; D105-L401 HydrophobicContact CB-CD1 4.45Å; D105-L401 HydrophobicContact CB-CD2 4.45Å; D105-S407 WeakPolarHBondContact OD1-CB 3.24Å; D105-S407 PolarHBondContact OD1-OG 3.48Å
106G95.7Very high95.2Very high0 Ų027.3 Ų27.30%013%0.132CC..EExtended strand (participates in β ladder)trans-145.9141173.300000111.3L16 A17 Y104L16-G106 WeakPolarHBondContact CA-O 3.44Å; A17-G106 PolarHBondContact N-O 3.02Å; Y104-G106 VanDerWaalsContact C-N 3.32Å
107V98Very high94.9Very high0 Ų032.6 Ų32.60%015%0.148CC..EExtended strand (participates in β ladder)trans-121.3122.9174-175.60000108.9A17 V19 L100 A101 N368 L369 Y370A17-V107 HydrophobicContact CB-CB 4.48Å; A17-V107 HydrophobicContact CB-CG1 4.16Å; A17-V107 HydrophobicContact CB-CG2 4.24Å; A17-V107 CarbonylContact O-C 3.53Å; A17-V107 WeakPolarHBondContact O-CA 3.31Å; V19-V107 HydrophobicContact CG2-CG1 4.04Å; L100-V107 HydrophobicContact CB-CG1 4.15Å; L100-V107 HydrophobicContact CB-CG2 3.82Å; L100-V107 HydrophobicContact CD1-CG1 4.29Å; A101-V107 HydrophobicContact CB-CG2 4.5Å; V107-N368 PolarHBondContact N-O 3.31Å; V107-L369 HydrophobicContact CB-CD2 3.57Å; V107-L369 HydrophobicContact CG1-CD2 4.11Å; V107-L369 HydrophobicContact CG2-CD2 4.08Å; V107-L369 WeakPolarHBondContact O-CA 3.42Å; V107-Y370 PolarHBondContact O-N 3.17Å
108I98.7Very high94.7Very high0 Ų036.2 Ų36.20%017%0.172CC..EExtended strand (participates in β ladder)trans-106.5114.5-179.4-53.680.8000108.7A17 V18 V19 L32 A110 Y370 V397A17-I108 WeakPolarHBondContact O-CD1 3.35Å; A17-I108 PolarHBondContact O-N 3.31Å; V18-I108 CarbonylContact C-O 3.6Å; V18-I108 WeakPolarHBondContact CA-O 3.38Å; V18-I108 HydrophobicContact CG2-CB 4.4Å; V18-I108 HydrophobicContact CG2-CD1 4.31Å; V19-I108 PolarHBondContact N-O 2.98Å; L32-I108 HydrophobicContact CD1-CD1 3.82Å; L32-I108 HydrophobicContact CD1-CG1 4.42Å; I108-A110 PolarHBondContact O-N 3.48Å; I108-Y370 CarbonylContact C-O 3.44Å; I108-V397 HydrophobicContact CG1-CG2 4.2Å
109L98.6Very high94.7Very high0 Ų029.1 Ų29.10%015%0.145CC..EExtended strand (participates in β ladder)trans-78.5118.1172.9-55.7178000109.3V19 V97 F111 L346 I355 V363 Y370 A371 C372 C375V19-L109 HydrophobicContact CB-CD2 4.15Å; V19-L109 HydrophobicContact CG2-CD2 4.07Å; V97-L109 HydrophobicContact CG1-CD2 4.28Å; V97-L109 HydrophobicContact CG2-CD2 4.14Å; L109-F111 HydrophobicContact CB-CD1 4.09Å; L109-F111 HydrophobicContact CB-CE1 3.94Å; L109-F111 HydrophobicContact CD1-CE1 4.34Å; L109-L346 HydrophobicContact CD1-CD1 3.98Å; L109-L346 HydrophobicContact CD1-CD2 3.8Å; L109-I355 HydrophobicContact CD1-CD1 4.39Å; L109-I355 HydrophobicContact CD1-CG1 4.47Å; L109-V363 HydrophobicContact CD1-CG2 4.26Å; L109-Y370 WeakPolarHBondContact CB-O 3.44Å; L109-Y370 PolarHBondContact N-O 3.23Å; L109-A371 HydrophobicContact CB-CB 4.07Å; L109-A371 CarbonylContact O-C 3.34Å; L109-A371 VanDerWaalsContact O-CA 3.28Å; L109-A371 WeakPolarHBondContact O-CA 3.36Å; L109-C372 PolarHBondContact O-N 3.35Å; L109-C375 PolarHBondContact O-SG 3Å
110A98.3Very high94.6Very high3 Ų333.3 Ų33.33%0.02517%0.172CC..  trans-13826.3-177.700000112.1V18 V19 A24 I108 G112V18-A110 HydrophobicContact CG1-CB 4.14Å; V19-A110 CarbonylContact O-C 3.57Å; V19-A110 VanDerWaalsContact O-CA 3.24Å; V19-A110 WeakPolarHBondContact O-CA 3.04Å; V19-A110 PolarHBondContact O-N 3Å; A24-A110 HydrophobicContact CB-CB 4.31Å; I108-A110 PolarHBondContact O-N 3.48Å; A110-G112 PolarHBondContact O-N 2.99Å
111F97Very high94.5Very high18 Ų1835.9 Ų35.98%0.07919%0.188CC..  trans-72-2.1-171.657-102.7000114.5V19 L109 V339 I341 I355 C375V19-F111 PolarHBondContact O-N 3.5Å; L109-F111 HydrophobicContact CB-CD1 4.09Å; L109-F111 HydrophobicContact CB-CE1 3.94Å; L109-F111 HydrophobicContact CD1-CE1 4.34Å; F111-V339 VanDerWaalsContact CE2-O 3.24Å; F111-V339 WeakPolarHBondContact CE2-O 3.41Å; F111-I341 HydrophobicContact CD1-CD1 3.69Å; F111-I341 HydrophobicContact CD1-CG1 4.22Å; F111-I341 HydrophobicContact CD1-CG2 4.21Å; F111-I341 HydrophobicContact CD2-CG2 3.97Å; F111-I341 HydrophobicContact CE1-CD1 3.88Å; F111-I341 HydrophobicContact CE1-CG1 4Å; F111-I341 HydrophobicContact CE1-CG2 4.38Å; F111-I341 HydrophobicContact CE2-CG2 4.15Å; F111-I341 HydrophobicContact CG-CD1 4.41Å; F111-I341 HydrophobicContact CG-CG2 4Å; F111-I341 HydrophobicContact CZ-CG1 4.44Å; F111-I341 HydrophobicContact CZ-CG2 4.34Å; F111-I355 HydrophobicContact CE1-CD1 4.39Å; F111-I355 HydrophobicContact CE1-CG1 4.2Å; F111-I355 HydrophobicContact CZ-CD1 4.02Å; F111-I355 HydrophobicContact CZ-CG1 3.81Å; F111-C375 HydrophobicContact CD1-CB 4.23Å; F111-C375 HydrophobicContact CD2-CB 3.74Å; F111-C375 HydrophobicContact CE1-CB 3.95Å; F111-C375 HydrophobicContact CE2-CB 3.41Å; F111-C375 VanDerWaalsContact CE2-CB 3.41Å; F111-C375 HydrophobicContact CG-CB 4.15Å; F111-C375 HydrophobicContact CZ-CB 3.54Å
112G95.6Very high94.5Very high13 Ų1342.6 Ų42.613%0.13422%0.215CC..  trans64.6-143.5173.100000113.9A110 S338A110-G112 PolarHBondContact O-N 2.99Å; G112-S338 WeakPolarHBondContact O-CB 3.47Å; G112-S338 PolarHBondContact O-OG 3.18Å
113A93Very high94.4Very high4 Ų438.6 Ų38.63%0.03320%0.197CC..  trans-131.8122.2178.300000109.1Y336 R337 S338 W374 P379A113-Y336 WeakPolarHBondContact O-CD1 3.36Å; A113-R337 CarbonylContact C-O 3.57Å; A113-R337 VanDerWaalsContact CB-C 3.49Å; A113-S338 WeakPolarHBondContact CB-OG 3.34Å; A113-W374 HydrophobicContact CB-CB 4.21Å; A113-W374 HydrophobicContact CB-CE3 3.82Å; A113-P379 HydrophobicContact CB-CB 4.5Å
114Q86.2Confident94.4Very high73 Ų7343.4 Ų43.434%0.34122%0.222SC..  trans-115.8-14.3-167.6-63.4-178.5-12.300113.4R133 R337Q114-R133 VanDerWaalsContact O-CD 3.31Å; Q114-R133 WeakPolarHBondContact O-CD 3.49Å; Q114-R337 PolarHBondContact N-O 2.81Å; Q114-R337 VanDerWaalsContact N-O 3.14Å
115E91.3Very high94.1Very high67 Ų6749.6 Ų49.631%0.31326%0.256SS..EExtended strand (participates in β ladder)trans-104.9172.3176.8-67.7-177.4166.400110.7Y336 R337 V339E115-Y336 CarbonylContact O-C 3.57Å; E115-Y336 WeakPolarHBondContact O-CA 3.26Å; E115-R337 HydrophobicContact CB-CB 4.24Å; E115-R337 PolarHBondContact N-O 3.07Å; E115-R337 VanDerWaalsContact N-O 3.08Å; E115-R337 PolarHBondContact O-N 2.99Å; E115-R337 IonicContact OE2-CZ 3.66Å; E115-R337 IonicContact OE2-NE 3.76Å; E115-R337 PolarHBondContact OE2-NE 2.73Å; E115-R337 IonicContact OE2-NH2 2.67Å; E115-R337 PolarHBondContact OE2-NH2 2.68Å; E115-V339 HydrophobicContact CB-CG2 4.32Å; E115-V339 HydrophobicContact CG-CG2 3.56Å; E115-V339 WeakPolarHBondContact OE1-CG2 3.31Å; E115-V339 VanDerWaalsContact OE2-CG2 3.26Å; E115-V339 WeakPolarHBondContact OE2-CG2 3.24Å
116E92.4Very high93.9Very high40 Ų4052.8 Ų52.819%0.18729%0.294CS..EExtended strand (participates in β ladder)trans-108.8157.5172.159.2-93.1-119.900111.2S131 R133 Y332E116-S131 WeakPolarHBondContact OE1-CB 3.43Å; E116-S131 PolarHBondContact OE1-OG 3.04Å; E116-R133 HydrophobicContact CB-CB 4.34Å; E116-R133 IonicContact OE1-CZ 2.95Å; E116-R133 IonicContact OE1-NE 3.9Å; E116-R133 IonicContact OE1-NH2 2.69Å; E116-R133 PolarHBondContact OE1-NH2 3.45Å; E116-R133 IonicContact OE2-CZ 3.97Å; E116-R133 IonicContact OE2-NE 3.56Å; E116-R133 PolarHBondContact OE2-NE 3.35Å; E116-R133 IonicContact OE2-NH2 2.7Å; E116-Y332 HydrophobicContact CG-CE2 4.22Å
117R92.2Very high93.8Very high136 Ų13653.8 Ų53.851%0.51330%0.301SS..PPolyproline II helixtrans-72.9131.7164.9-62.9-174.3-174.1165-7.7109.4Y332 F334 G335R117-Y332 WeakPolarHBondContact O-CE2 3.38Å; R117-F334 HydrophobicContact CB-CB 3.85Å; R117-F334 WeakPolarHBondContact CD-O 3.4Å; R117-G335 PolarHBondContact N-O 2.63Å; R117-G335 VanDerWaalsContact N-O 3.13Å
118P92.7Very high93.8Very high77 Ų7754.6 Ų54.650%0.531%0.305SS..PPolyproline II helixtrans-69.8151-176.629.9-35.6000111.5
119L95Very high93.6Very high3 Ų355.1 Ų55.12%0.01631%0.308CS..PPolyproline II helixtrans-78.6139.9161.4-17367.1000109P121 K122 P123 L161 F285 L330 Y332 F334L119-P121 CarbonylContact C-O 3.5Å; L119-P121 CarbonylContact O-C 3.52Å; L119-K122 WeakPolarHBondContact O-CA 3.42Å; L119-K122 PolarHBondContact O-N 2.84Å; L119-P123 HydrophobicContact CD2-CG 4.1Å; L119-L161 HydrophobicContact CD1-CD1 3.61Å; L119-L161 HydrophobicContact CD2-CD1 4.44Å; L119-F285 HydrophobicContact CD1-CD1 3.48Å; L119-F285 VanDerWaalsContact CD1-CD1 3.48Å; L119-F285 HydrophobicContact CD1-CD2 4.38Å; L119-F285 HydrophobicContact CD1-CE1 3.53Å; L119-F285 HydrophobicContact CD1-CE2 4.43Å; L119-F285 HydrophobicContact CD1-CG 3.93Å; L119-F285 HydrophobicContact CD1-CZ 4.03Å; L119-F285 HydrophobicContact CD2-CE1 4.08Å; L119-F285 HydrophobicContact CD2-CE2 4.3Å; L119-F285 HydrophobicContact CD2-CZ 3.84Å; L119-F285 HydrophobicContact CG-CD1 4.22Å; L119-F285 HydrophobicContact CG-CE1 3.73Å; L119-F285 HydrophobicContact CG-CZ 4.03Å; L119-L330 HydrophobicContact CD2-CD2 4.15Å; L119-Y332 HydrophobicContact CB-CD1 3.99Å; L119-Y332 HydrophobicContact CB-CD2 4.08Å; L119-Y332 HydrophobicContact CB-CE1 4.24Å; L119-Y332 HydrophobicContact CB-CE2 4.32Å; L119-Y332 HydrophobicContact CB-CG 3.91Å; L119-Y332 HydrophobicContact CD2-CD1 4.13Å; L119-Y332 HydrophobicContact CD2-CG 4.49Å; L119-F334 HydrophobicContact CB-CE2 4.4Å; L119-F334 HydrophobicContact CD1-CE2 3.45Å; L119-F334 VanDerWaalsContact CD1-CE2 3.45Å; L119-F334 HydrophobicContact CD1-CZ 3.68Å
120V93.8Very high93.6Very high115 Ų11556.2 Ų56.270%0.69731%0.313SS*.SBendtrans-127121.1176.5-179.60000108.4F285V120-F285 WeakPolarHBondContact O-CE1 3.28Å
121P93.7Very high93.5Very high53 Ų5356 Ų5634%0.34431%0.312SS..SBendcis-62155.8-3.726.3-36000113.9L119L119-P121 CarbonylContact C-O 3.5Å; L119-P121 CarbonylContact O-C 3.52Å
122K94.2Very high93.6Very high156 Ų15655.4 Ų55.468%0.67831%0.31SS*.PPolyproline II helixtrans-66.1139.5177.8-173.4-169.9171.4-157.30109L119 D125L119-K122 WeakPolarHBondContact O-CA 3.42Å; L119-K122 PolarHBondContact O-N 2.84Å; K122-D125 IonicContact NZ-OD1 3.98Å
123P92.7Very high93.6Very high17 Ų1756.2 Ų56.211%0.1131%0.309CS..PPolyproline II helixtrans-58.3147.3172.7-23.433.4000112.9L119 C129 Y290 Y332L119-P123 HydrophobicContact CD2-CG 4.1Å; P123-C129 HydrophobicContact CB-CB 3.91Å; P123-C129 HydrophobicContact CG-CB 4.18Å; P123-C129 VanDerWaalsContact CG-SG 3.51Å; P123-Y290 VanDerWaalsContact CA-OH 3.26Å; P123-Y290 WeakPolarHBondContact CA-OH 3.49Å; P123-Y332 HydrophobicContact CG-CE1 4.14Å
124I92.6Very high93.8Very high109 Ų10958.2 Ų58.256%0.55932%0.318SS*.PPolyproline II helixtrans-68.2137.4172.2-62.5178.2000109.3G126 S127 Y290I124-G126 PolarHBondContact O-N 2.84Å; I124-S127 WeakPolarHBondContact O-CB 3.46Å; I124-S127 PolarHBondContact O-N 3.31Å; I124-S127 VanDerWaalsContact O-N 3.07Å; I124-S127 PolarHBondContact O-OG 3.09Å; I124-Y290 HydrophobicContact CB-CD2 4.5Å; I124-Y290 HydrophobicContact CB-CE2 4.02Å; I124-Y290 HydrophobicContact CD1-CD2 3.47Å; I124-Y290 VanDerWaalsContact CD1-CD2 3.47Å; I124-Y290 HydrophobicContact CD1-CE2 3.56Å; I124-Y290 HydrophobicContact CD1-CG 4.45Å; I124-Y290 HydrophobicContact CG1-CD2 4.05Å; I124-Y290 HydrophobicContact CG1-CE2 3.59Å; I124-Y290 PolarHBondContact N-OH 2.96Å
125D90.3Very high94.4Very high137 Ų13754.8 Ų54.873%0.73330%0.301SS*.THydrogen-bonded Turntrans-59.4135.8177.9-64.2-27.1000110.6K122 S127K122-D125 IonicContact NZ-OD1 3.98Å; D125-S127 VanDerWaalsContact C-N 3.25Å; D125-S127 PolarHBondContact O-N 3.18Å
126G90.1Very high94.7Very high88 Ų8851.7 Ų51.791%0.90729%0.287SS*.THydrogen-bonded Turntrans79.6-4.1-175.100000115.3I124I124-G126 PolarHBondContact O-N 2.84Å
127S93.9Very high94.9Very high21 Ų2149.8 Ų49.815%0.14728%0.279CS..SBendtrans-69.5156.8171.769.70000112.4I124 D125 C129 Y290I124-S127 WeakPolarHBondContact O-CB 3.46Å; I124-S127 PolarHBondContact O-N 3.31Å; I124-S127 VanDerWaalsContact O-N 3.07Å; I124-S127 PolarHBondContact O-OG 3.09Å; D125-S127 VanDerWaalsContact C-N 3.25Å; D125-S127 PolarHBondContact O-N 3.18Å; S127-C129 PolarHBondContact O-N 3.2Å; S127-Y290 PolarHBondContact OG-OH 3.27Å
128N96.6Very high95.2Very high17 Ų1743.8 Ų43.89%0.09126%0.256CS..SBendtrans-79.851.1175.7-154.327.7000111.4F130 I151 S328 L329 L330N128-F130 WeakPolarHBondContact OD1-CE2 3.36Å; N128-I151 PolarHBondContact ND2-O 2.87Å; N128-I151 PolarHBondContact OD1-N 3.05Å; N128-S328 PolarHBondContact ND2-O 2.96Å; N128-L329 WeakPolarHBondContact O-CD1 3.43Å; N128-L330 PolarHBondContact O-N 3.44Å; N128-L330 VanDerWaalsContact O-N 3.15Å
129C96.6Very high95.5Very high10 Ų1040.1 Ų40.17%0.06823%0.232CC..EExtended strand (participates in β ladder)trans-130.5122.9-179.4-176.80000111.2P123 S127 L330P123-C129 HydrophobicContact CB-CB 3.91Å; P123-C129 HydrophobicContact CG-CB 4.18Å; P123-C129 VanDerWaalsContact CG-SG 3.51Å; S127-C129 PolarHBondContact O-N 3.2Å; C129-L330 CarbonylContact C-O 3.32Å; C129-L330 WeakPolarHBondContact CA-O 3.34Å; C129-L330 HydrophobicContact CB-CB 4.26Å
130F96.9Very high95.6Very high23 Ų2340 Ų4010%0.10123%0.231CC..EExtended strand (participates in β ladder)trans-134.8154.5-172.1-57.7-83.4000111.8N128 Q134 I135 I148 P150 L329 L330 V331 Y332N128-F130 WeakPolarHBondContact OD1-CE2 3.36Å; F130-Q134 HydrophobicContact CB-CB 4.39Å; F130-I135 HydrophobicContact CB-CD1 3.79Å; F130-I135 HydrophobicContact CB-CG1 3.93Å; F130-I135 HydrophobicContact CD2-CD1 4.01Å; F130-I135 HydrophobicContact CG-CD1 3.95Å; F130-I148 HydrophobicContact CD1-CB 4.33Å; F130-I148 HydrophobicContact CD1-CD1 4.43Å; F130-I148 HydrophobicContact CE1-CB 4.07Å; F130-P150 HydrophobicContact CD2-CB 4.35Å; F130-P150 HydrophobicContact CD2-CG 4.32Å; F130-P150 HydrophobicContact CE2-CB 3.96Å; F130-P150 HydrophobicContact CE2-CG 4.11Å; F130-P150 HydrophobicContact CZ-CG 4.37Å; F130-L329 HydrophobicContact CD2-CD1 3.91Å; F130-L329 HydrophobicContact CE2-CD1 4.2Å; F130-L330 PolarHBondContact N-O 2.81Å; F130-V331 CarbonylContact O-C 3.35Å; F130-V331 WeakPolarHBondContact O-CA 3.45Å; F130-Y332 WeakPolarHBondContact O-CD1 3.44Å; F130-Y332 WeakPolarHBondContact O-CE1 3.24Å; F130-Y332 PolarHBondContact O-N 3.12Å
131S97.4Very high95.7Very high0 Ų034.7 Ų34.70%020%0.2CC..EExtended strand (participates in β ladder)trans-71.5151.9164.677.30000109.9E116 R133 Q134 I135 Y332E116-S131 WeakPolarHBondContact OE1-CB 3.43Å; E116-S131 PolarHBondContact OE1-OG 3.04Å; S131-R133 PolarHBondContact O-N 2.99Å; S131-R133 PolarHBondContact OG-N 3.19Å; S131-Q134 WeakPolarHBondContact O-CB 3.41Å; S131-Q134 PolarHBondContact O-N 3.06Å; S131-Q134 VanDerWaalsContact O-N 3.11Å; S131-Q134 VanDerWaalsContact OG-CG 3.31Å; S131-Q134 WeakPolarHBondContact OG-CG 3.46Å; S131-Q134 PolarHBondContact OG-N 3.22Å; S131-Q134 PolarHBondContact OG-OE1 3.5Å; S131-I135 PolarHBondContact O-N 2.82Å; S131-I135 VanDerWaalsContact O-N 3.13Å; S131-Y332 CarbonylContact C-O 3.52Å; S131-Y332 WeakPolarHBondContact CA-O 3.47Å; S131-Y332 VanDerWaalsContact CB-CE2 3.42Å; S131-Y332 VanDerWaalsContact N-CE1 3.28Å
132A97.9Very high95.9Very high4 Ų433.9 Ų33.93%0.03319%0.191CC..Hα-helixtrans-59.5-33.1172.100000111.2Q134 I135 V136 V166 V170 V331 Y332 S333A132-Q134 PolarHBondContact O-N 2.89Å; A132-I135 PolarHBondContact O-N 3.09Å; A132-V136 VanDerWaalsContact O-CB 3.32Å; A132-V136 WeakPolarHBondContact O-CB 3.28Å; A132-V136 WeakPolarHBondContact O-CG2 3.49Å; A132-V136 PolarHBondContact O-N 3.22Å; A132-V166 HydrophobicContact CB-CG1 4.01Å; A132-V170 HydrophobicContact CB-CG2 4.38Å; A132-V331 HydrophobicContact CB-CG1 3.96Å; A132-Y332 PolarHBondContact N-O 3.35Å; A132-S333 WeakPolarHBondContact CB-OG 3.3Å
133R96.5Very high96Very high30 Ų3026.9 Ų26.911%0.11316%0.162CC..Hα-helixtrans-58.6-47.4173.8-174.3-163.370.871.14.5111Q114 E116 S131 V136 G137 E142 C145 Y336Q114-R133 VanDerWaalsContact O-CD 3.31Å; Q114-R133 WeakPolarHBondContact O-CD 3.49Å; E116-R133 HydrophobicContact CB-CB 4.34Å; E116-R133 IonicContact OE1-CZ 2.95Å; E116-R133 IonicContact OE1-NE 3.9Å; E116-R133 IonicContact OE1-NH2 2.69Å; E116-R133 PolarHBondContact OE1-NH2 3.45Å; E116-R133 IonicContact OE2-CZ 3.97Å; E116-R133 IonicContact OE2-NE 3.56Å; E116-R133 PolarHBondContact OE2-NE 3.35Å; E116-R133 IonicContact OE2-NH2 2.7Å; S131-R133 PolarHBondContact O-N 2.99Å; S131-R133 PolarHBondContact OG-N 3.19Å; R133-V136 PolarHBondContact O-N 3.04Å; R133-G137 PolarHBondContact O-N 2.85Å; R133-E142 IonicContact NH1-OE1 3.6Å; R133-E142 IonicContact NH1-OE2 3.02Å; R133-E142 PolarHBondContact NH1-OE2 3Å; R133-E142 VanDerWaalsContact NH1-OE2 3.17Å; R133-C145 PolarHBondContact NH1-SG 3.3Å; R133-Y336 HydrophobicContact CB-CE1 4.19Å; R133-Y336 HydrophobicContact CG-CD1 4.27Å; R133-Y336 HydrophobicContact CG-CE1 3.54Å
134Q97.2Very high96Very high47 Ų4730 Ų3022%0.2219%0.185CC..Hα-helixtrans-59.6-50.4177.9-73.9171.7-50.300111F130 S131 A132 V136 G137 W138 I148F130-Q134 HydrophobicContact CB-CB 4.39Å; S131-Q134 WeakPolarHBondContact O-CB 3.41Å; S131-Q134 PolarHBondContact O-N 3.06Å; S131-Q134 VanDerWaalsContact O-N 3.11Å; S131-Q134 VanDerWaalsContact OG-CG 3.31Å; S131-Q134 WeakPolarHBondContact OG-CG 3.46Å; S131-Q134 PolarHBondContact OG-N 3.22Å; S131-Q134 PolarHBondContact OG-OE1 3.5Å; A132-Q134 PolarHBondContact O-N 2.89Å; Q134-V136 VanDerWaalsContact C-N 3.31Å; Q134-V136 PolarHBondContact O-N 3.18Å; Q134-G137 PolarHBondContact O-N 3.09Å; Q134-W138 WeakPolarHBondContact O-CB 3.34Å; Q134-W138 PolarHBondContact O-N 2.99Å; Q134-I148 HydrophobicContact CB-CD1 3.82Å; Q134-I148 HydrophobicContact CB-CG2 4.49Å; Q134-I148 WeakPolarHBondContact O-CD1 3.42Å
135I98.3Very high96.2Very high0 Ų024.9 Ų24.90%016%0.158CC..Hα-helixtrans-58.5-44.1178.2-61.5-60.1000111.5F130 S131 A132 W138 Y139 I148 P150 V170 F174 V331F130-I135 HydrophobicContact CB-CD1 3.79Å; F130-I135 HydrophobicContact CB-CG1 3.93Å; F130-I135 HydrophobicContact CD2-CD1 4.01Å; F130-I135 HydrophobicContact CG-CD1 3.95Å; S131-I135 PolarHBondContact O-N 2.82Å; S131-I135 VanDerWaalsContact O-N 3.13Å; A132-I135 PolarHBondContact O-N 3.09Å; I135-W138 HydrophobicContact CG2-CE3 4.48Å; I135-W138 PolarHBondContact O-N 3.11Å; I135-Y139 HydrophobicContact CG2-CD1 3.94Å; I135-Y139 HydrophobicContact CG2-CE1 3.95Å; I135-Y139 WeakPolarHBondContact O-CD1 3.23Å; I135-Y139 PolarHBondContact O-N 2.72Å; I135-Y139 VanDerWaalsContact O-N 3.12Å; I135-I148 HydrophobicContact CD1-CD1 4.36Å; I135-P150 HydrophobicContact CD1-CB 4.1Å; I135-P150 HydrophobicContact CD1-CG 3.45Å; I135-P150 VanDerWaalsContact CD1-CG 3.45Å; I135-V170 HydrophobicContact CB-CG2 4.48Å; I135-V170 HydrophobicContact CG2-CG1 3.96Å; I135-V170 HydrophobicContact CG2-CG2 4.15Å; I135-F174 HydrophobicContact CD1-CZ 4.34Å; I135-F174 HydrophobicContact CG1-CZ 4.46Å; I135-F174 HydrophobicContact CG2-CE1 3.99Å; I135-F174 HydrophobicContact CG2-CZ 3.77Å; I135-V331 HydrophobicContact CG1-CG1 4.1Å; I135-V331 HydrophobicContact CG1-CG2 4.03Å
136V97.8Very high96.4Very high2 Ų221.2 Ų21.21%0.01214%0.137CC..Hα-helixtrans-61.8-48.5177.6172.10000111.4F56 G57 A132 R133 Q134 W138 Y139 N140 V166 V170F56-V136 WeakPolarHBondContact O-CG1 3.21Å; G57-V136 WeakPolarHBondContact O-CG1 3.43Å; A132-V136 VanDerWaalsContact O-CB 3.32Å; A132-V136 WeakPolarHBondContact O-CB 3.28Å; A132-V136 WeakPolarHBondContact O-CG2 3.49Å; A132-V136 PolarHBondContact O-N 3.22Å; R133-V136 PolarHBondContact O-N 3.04Å; Q134-V136 VanDerWaalsContact C-N 3.31Å; Q134-V136 PolarHBondContact O-N 3.18Å; V136-W138 VanDerWaalsContact C-N 3.32Å; V136-W138 PolarHBondContact O-N 2.77Å; V136-Y139 VanDerWaalsContact CA-CZ 3.42Å; V136-Y139 HydrophobicContact CB-CE1 4.49Å; V136-Y139 HydrophobicContact CB-CE2 4.28Å; V136-Y139 HydrophobicContact CG1-CE2 4.08Å; V136-Y139 HydrophobicContact CG2-CE1 4.29Å; V136-Y139 WeakPolarHBondContact CG2-OH 3.43Å; V136-Y139 VanDerWaalsContact O-CD2 3.22Å; V136-Y139 WeakPolarHBondContact O-CD2 3.25Å; V136-Y139 WeakPolarHBondContact O-CE2 3.41Å; V136-N140 VanDerWaalsContact O-CB 3.27Å; V136-N140 WeakPolarHBondContact O-CB 3.32Å; V136-N140 PolarHBondContact O-N 2.93Å; V136-N140 VanDerWaalsContact O-N 3.09Å; V136-N140 PolarHBondContact O-ND2 2.98Å; V136-V166 HydrophobicContact CG2-CG1 3.69Å; V136-V170 HydrophobicContact CG2-CG2 4Å
137G97.3Very high96.6Very high1 Ų122.9 Ų22.91%0.0113%0.125CC..Hα-helixtrans-60-42.4176.900000111.9R133 Q134 N140 G141 E142R133-G137 PolarHBondContact O-N 2.85Å; Q134-G137 PolarHBondContact O-N 3.09Å; G137-N140 CarbonylContact O-C 3.56Å; G137-N140 PolarHBondContact O-N 3.32Å; G137-G141 PolarHBondContact O-N 3.44Å; G137-E142 PolarHBondContact O-N 2.93Å
138W98Very high96.6Very high10 Ų1022.8 Ų22.84%0.03812%0.122CC..Hα-helixtrans-62-50.3179.7167.670.4000114.2Q134 I135 V136 N140 G141 C145 I148 P150 L152 T187 A190 A193Q134-W138 WeakPolarHBondContact O-CB 3.34Å; Q134-W138 PolarHBondContact O-N 2.99Å; I135-W138 HydrophobicContact CG2-CE3 4.48Å; I135-W138 PolarHBondContact O-N 3.11Å; V136-W138 VanDerWaalsContact C-N 3.32Å; V136-W138 PolarHBondContact O-N 2.77Å; W138-N140 PolarHBondContact O-N 3.13Å; W138-G141 PolarHBondContact O-N 2.79Å; W138-C145 HydrophobicContact CB-CB 4.48Å; W138-I148 HydrophobicContact CB-CD1 3.29Å; W138-I148 HydrophobicContact CB-CG1 3.47Å; W138-I148 VanDerWaalsContact CB-CG1 3.47Å; W138-I148 HydrophobicContact CD2-CG1 4.45Å; W138-I148 HydrophobicContact CG-CD1 3.82Å; W138-I148 HydrophobicContact CG-CG1 3.59Å; W138-P150 HydrophobicContact CD2-CG 4.22Å; W138-P150 HydrophobicContact CE3-CG 4.15Å; W138-P150 HydrophobicContact CH2-CG 4.19Å; W138-P150 HydrophobicContact CZ2-CG 4.23Å; W138-P150 HydrophobicContact CZ3-CG 4.16Å; W138-L152 HydrophobicContact CH2-CD1 4.2Å; W138-T187 WeakPolarHBondContact O-CG2 3.06Å; W138-T187 PolarHBondContact O-OG1 3.13Å; W138-A190 HydrophobicContact CD2-CB 3.9Å; W138-A190 HydrophobicContact CE3-CB 3.95Å; W138-A190 HydrophobicContact CH2-CB 3.78Å; W138-A190 HydrophobicContact CZ2-CB 3.74Å; W138-A190 HydrophobicContact CZ3-CB 3.87Å; W138-A193 HydrophobicContact CH2-CB 3.73Å; W138-A193 HydrophobicContact CZ2-CB 3.66Å
139Y97.9Very high96.5Very high0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-73-20.4179.263.2-130.8000112.3P60 I135 V136 V170 V173 I186 T187P60-Y139 HydrophobicContact CG-CD2 4.14Å; I135-Y139 HydrophobicContact CG2-CD1 3.94Å; I135-Y139 HydrophobicContact CG2-CE1 3.95Å; I135-Y139 WeakPolarHBondContact O-CD1 3.23Å; I135-Y139 PolarHBondContact O-N 2.72Å; I135-Y139 VanDerWaalsContact O-N 3.12Å; V136-Y139 VanDerWaalsContact CA-CZ 3.42Å; V136-Y139 HydrophobicContact CB-CE1 4.49Å; V136-Y139 HydrophobicContact CB-CE2 4.28Å; V136-Y139 HydrophobicContact CG1-CE2 4.08Å; V136-Y139 HydrophobicContact CG2-CE1 4.29Å; V136-Y139 WeakPolarHBondContact CG2-OH 3.43Å; V136-Y139 VanDerWaalsContact O-CD2 3.22Å; V136-Y139 WeakPolarHBondContact O-CD2 3.25Å; V136-Y139 WeakPolarHBondContact O-CE2 3.41Å; Y139-V170 HydrophobicContact CE1-CG2 4.45Å; Y139-V173 HydrophobicContact CD1-CG1 4.05Å; Y139-V173 HydrophobicContact CE1-CB 4.4Å; Y139-V173 HydrophobicContact CE1-CG1 4.34Å; Y139-V173 HydrophobicContact CE1-CG2 4.21Å; Y139-I186 WeakPolarHBondContact O-CA 3.14Å; Y139-T187 PolarHBondContact O-N 3.33Å
140N97.6Very high96.5Very high0 Ų028.9 Ų28.90%014%0.144CC..Hα-helixtrans-97.1-2176.8-82-41.6000114.4F56 V58 K66 V136 G137 W138 K451F56-N140 VanDerWaalsContact C-ND2 3.32Å; F56-N140 WeakPolarHBondContact O-CB 3.35Å; F56-N140 PolarHBondContact O-ND2 3.46Å; V58-N140 PolarHBondContact O-ND2 3.5Å; V58-N140 PolarHBondContact O-OD1 3.35Å; V58-N140 VanDerWaalsContact O-OD1 3.09Å; K66-N140 PolarHBondContact NZ-OD1 3.47Å; V136-N140 VanDerWaalsContact O-CB 3.27Å; V136-N140 WeakPolarHBondContact O-CB 3.32Å; V136-N140 PolarHBondContact O-N 2.93Å; V136-N140 VanDerWaalsContact O-N 3.09Å; V136-N140 PolarHBondContact O-ND2 2.98Å; G137-N140 CarbonylContact O-C 3.56Å; G137-N140 PolarHBondContact O-N 3.32Å; W138-N140 PolarHBondContact O-N 3.13Å; N140-K451 WeakPolarHBondContact O-CD 3.41Å; N140-K451 WeakPolarHBondContact O-CE 3.11Å; N140-K451 PolarHBondContact O-NZ 3.12Å
141G96.9Very high96.5Very high3 Ų331.3 Ų31.33%0.03116%0.157CC..THydrogen-bonded Turntrans7434.4177.700000114.8F56 G137 W138 P143F56-G141 VanDerWaalsContact CE1-O 3.3Å; F56-G141 WeakPolarHBondContact CE1-O 3.35Å; G137-G141 PolarHBondContact O-N 3.44Å; W138-G141 PolarHBondContact O-N 2.79Å; G141-P143 WeakPolarHBondContact O-CD 3.37Å
142E96.8Very high96.5Very high36 Ų3631.4 Ų31.417%0.16816%0.158CC..  trans-67123.6167.1-174.8177.4-153.400109.4F56 R133 G137 S144 C145 Q146F56-E142 HydrophobicContact CB-CB 4.24Å; F56-E142 HydrophobicContact CD1-CB 3.9Å; F56-E142 HydrophobicContact CE1-CB 4.46Å; F56-E142 HydrophobicContact CG-CB 4.11Å; F56-E142 HydrophobicContact CG-CG 4.36Å; R133-E142 IonicContact NH1-OE1 3.6Å; R133-E142 IonicContact NH1-OE2 3.02Å; R133-E142 PolarHBondContact NH1-OE2 3Å; R133-E142 VanDerWaalsContact NH1-OE2 3.17Å; G137-E142 PolarHBondContact O-N 2.93Å; E142-S144 VanDerWaalsContact C-N 3.31Å; E142-S144 PolarHBondContact O-N 3.15Å; E142-C145 HydrophobicContact CB-CB 4.35Å; E142-C145 CarbonylContact O-C 3.05Å; E142-C145 WeakPolarHBondContact O-CA 3.44Å; E142-C145 PolarHBondContact O-N 3.18Å; E142-C145 PolarHBondContact OE2-SG 3.18Å; E142-Q146 PolarHBondContact O-N 3.19Å
143P96Very high96.5Very high9 Ų936 Ų366%0.05818%0.182CC..G310 helixtrans-55.8-41-174.3-30.235.9000114.8G141 C145 Q146 V453 E455 M458G141-P143 WeakPolarHBondContact O-CD 3.37Å; P143-C145 PolarHBondContact O-N 2.9Å; P143-Q146 WeakPolarHBondContact O-CB 3.41Å; P143-Q146 VanDerWaalsContact O-CG 3.26Å; P143-Q146 WeakPolarHBondContact O-CG 3.41Å; P143-Q146 PolarHBondContact O-N 3.45Å; P143-V453 VanDerWaalsContact CA-O 3.27Å; P143-V453 WeakPolarHBondContact CA-O 3.26Å; P143-V453 VanDerWaalsContact CB-O 3.24Å; P143-V453 WeakPolarHBondContact CB-O 3.19Å; P143-V453 WeakPolarHBondContact CG-O 3.38Å; P143-E455 HydrophobicContact CB-CG 3.58Å; P143-E455 HydrophobicContact CG-CG 3.74Å; P143-M458 HydrophobicContact CG-CE 3.62Å; P143-M458 HydrophobicContact CG-SD 4.25Å
144S94.2Very high96.5Very high84 Ų8436 Ų3659%0.58719%0.188SC*.G310 helixtrans-64.2-11.8177.470.50000114.5E142E142-S144 VanDerWaalsContact C-N 3.31Å; E142-S144 PolarHBondContact O-N 3.15Å
145C96.3Very high96.5Very high0 Ų034.9 Ų34.90%019%0.189CC..G310 helixtrans-111.99.6178.6-610000112R133 W138 E142 P143 D147 I148R133-C145 PolarHBondContact NH1-SG 3.3Å; W138-C145 HydrophobicContact CB-CB 4.48Å; E142-C145 HydrophobicContact CB-CB 4.35Å; E142-C145 CarbonylContact O-C 3.05Å; E142-C145 WeakPolarHBondContact O-CA 3.44Å; E142-C145 PolarHBondContact O-N 3.18Å; E142-C145 PolarHBondContact OE2-SG 3.18Å; P143-C145 PolarHBondContact O-N 2.9Å; C145-D147 VanDerWaalsContact C-N 3.25Å; C145-D147 PolarHBondContact O-N 3.48Å; C145-I148 WeakPolarHBondContact O-CG1 3.37Å; C145-I148 PolarHBondContact O-N 3.29Å
146Q94.3Very high96.4Very high61 Ų6137.8 Ų37.829%0.28521%0.209SC..THydrogen-bonded Turntrans-65.2-28.5-176.674.9174.9-50.900113.3E142 P143 R149 V453E142-Q146 PolarHBondContact O-N 3.19Å; P143-Q146 WeakPolarHBondContact O-CB 3.41Å; P143-Q146 VanDerWaalsContact O-CG 3.26Å; P143-Q146 WeakPolarHBondContact O-CG 3.41Å; P143-Q146 PolarHBondContact O-N 3.45Å; Q146-R149 PolarHBondContact O-NH1 3.05Å; Q146-V453 HydrophobicContact CB-CB 4.36Å; Q146-V453 HydrophobicContact CB-CG2 4.3Å
147D94Very high96.5Very high123 Ų12338.9 Ų38.966%0.65822%0.216SC*.THydrogen-bonded Turntrans-92-6.3-174.7-67.7-42.6000114.5C145 R149C145-D147 VanDerWaalsContact C-N 3.25Å; C145-D147 PolarHBondContact O-N 3.48Å; D147-R149 PolarHBondContact O-NH1 3.01Å
148I93.9Very high96.5Very high19 Ų1938.9 Ų38.910%0.09722%0.216CC..  trans-69.4143.4177.779.9171.2000110F130 Q134 I135 W138 C145 P150F130-I148 HydrophobicContact CD1-CB 4.33Å; F130-I148 HydrophobicContact CD1-CD1 4.43Å; F130-I148 HydrophobicContact CE1-CB 4.07Å; Q134-I148 HydrophobicContact CB-CD1 3.82Å; Q134-I148 HydrophobicContact CB-CG2 4.49Å; Q134-I148 WeakPolarHBondContact O-CD1 3.42Å; I135-I148 HydrophobicContact CD1-CD1 4.36Å; W138-I148 HydrophobicContact CB-CD1 3.29Å; W138-I148 HydrophobicContact CB-CG1 3.47Å; W138-I148 VanDerWaalsContact CB-CG1 3.47Å; W138-I148 HydrophobicContact CD2-CG1 4.45Å; W138-I148 HydrophobicContact CG-CD1 3.82Å; W138-I148 HydrophobicContact CG-CG1 3.59Å; C145-I148 WeakPolarHBondContact O-CG1 3.37Å; C145-I148 PolarHBondContact O-N 3.29Å; I148-P150 HydrophobicContact CD1-CG 4.4Å
149R94.4Very high96.6Very high147 Ų14738.4 Ų38.456%0.55521%0.214SC*.  trans-134.177.4-177.6-61.6-68.3-179.9-85.4-4.5110.7Q146 D147 I151Q146-R149 PolarHBondContact O-NH1 3.05Å; D147-R149 PolarHBondContact O-NH1 3.01Å; R149-I151 PolarHBondContact O-N 3.14Å
150P96.7Very high96.6Very high8 Ų838.4 Ų38.45%0.05221%0.214CC..  trans-62.2123.8173.9-20.333.7000110.5F130 I135 W138 I148 L152F130-P150 HydrophobicContact CD2-CB 4.35Å; F130-P150 HydrophobicContact CD2-CG 4.32Å; F130-P150 HydrophobicContact CE2-CB 3.96Å; F130-P150 HydrophobicContact CE2-CG 4.11Å; F130-P150 HydrophobicContact CZ-CG 4.37Å; I135-P150 HydrophobicContact CD1-CB 4.1Å; I135-P150 HydrophobicContact CD1-CG 3.45Å; I135-P150 VanDerWaalsContact CD1-CG 3.45Å; W138-P150 HydrophobicContact CD2-CG 4.22Å; W138-P150 HydrophobicContact CE3-CG 4.15Å; W138-P150 HydrophobicContact CH2-CG 4.19Å; W138-P150 HydrophobicContact CZ2-CG 4.23Å; W138-P150 HydrophobicContact CZ3-CG 4.16Å; I148-P150 HydrophobicContact CD1-CG 4.4Å; P150-L152 HydrophobicContact CB-CD2 3.88Å; P150-L152 HydrophobicContact CB-CG 4.38Å; P150-L152 PolarHBondContact O-N 3.48Å; P150-L152 VanDerWaalsContact O-N 3.16Å
151I96.8Very high96.6Very high73 Ų7338.6 Ų38.637%0.37422%0.215SC..  trans-85.988.6179-52175.7000108N128 R149 N153 A154N128-I151 PolarHBondContact ND2-O 2.87Å; N128-I151 PolarHBondContact OD1-N 3.05Å; R149-I151 PolarHBondContact O-N 3.14Å; I151-N153 WeakPolarHBondContact CG2-OD1 3.49Å; I151-N153 PolarHBondContact O-N 3.29Å; I151-A154 HydrophobicContact CB-CB 4.41Å; I151-A154 HydrophobicContact CG2-CB 3.76Å
152L97.8Very high96.7Very high3 Ų339.1 Ų39.12%0.01622%0.22CC..THydrogen-bonded Turntrans-80.5-0.2-175.2-55.8-171.8000114W138 P150 F174 A193 L194 S197 T198 L329W138-L152 HydrophobicContact CH2-CD1 4.2Å; P150-L152 HydrophobicContact CB-CD2 3.88Å; P150-L152 HydrophobicContact CB-CG 4.38Å; P150-L152 PolarHBondContact O-N 3.48Å; P150-L152 VanDerWaalsContact O-N 3.16Å; L152-F174 HydrophobicContact CD1-CD1 4.47Å; L152-F174 HydrophobicContact CD1-CE1 4.42Å; L152-F174 HydrophobicContact CD2-CE1 4.13Å; L152-F174 HydrophobicContact CD2-CZ 4.32Å; L152-A193 HydrophobicContact CD1-CB 4.12Å; L152-A193 HydrophobicContact CG-CB 4.45Å; L152-L194 HydrophobicContact CD1-CD2 3.74Å; L152-L194 HydrophobicContact CD1-CG 4.16Å; L152-S197 CarbonylContact O-C 3.58Å; L152-S197 WeakPolarHBondContact O-CA 3.45Å; L152-S197 PolarHBondContact O-OG 3.39Å; L152-S197 VanDerWaalsContact O-OG 3.09Å; L152-T198 PolarHBondContact O-N 3.38Å; L152-L329 HydrophobicContact CD2-CD2 3.6Å
153N97.5Very high96.7Very high101 Ų10138 Ų3854%0.5422%0.215SC..THydrogen-bonded Turntrans-113.62.8-178.868.8-17.4000114.3I151 G155 G196 T198I151-N153 WeakPolarHBondContact CG2-OD1 3.49Å; I151-N153 PolarHBondContact O-N 3.29Å; N153-G155 PolarHBondContact O-N 2.83Å; N153-G196 VanDerWaalsContact CB-O 3.32Å; N153-G196 WeakPolarHBondContact CB-O 3.45Å; N153-T198 VanDerWaalsContact C-OG1 3.31Å; N153-T198 VanDerWaalsContact CA-OG1 3.27Å; N153-T198 WeakPolarHBondContact CA-OG1 3.48Å; N153-T198 HydrophobicContact CB-CG2 4.09Å; N153-T198 PolarHBondContact O-OG1 2.9Å
154A96.8Very high96.6Very high29 Ų2938.3 Ų38.324%0.2422%0.22CC..SBendtrans-71-10.9-179.800000114.3I151 A293I151-A154 HydrophobicContact CB-CB 4.41Å; I151-A154 HydrophobicContact CG2-CB 3.76Å; A154-A293 HydrophobicContact CB-CB 3.85Å; A154-A293 WeakPolarHBondContact CB-O 3.33Å
155G96.8Very high96.7Very high24 Ų2436 Ų3625%0.24720%0.201CC..  trans165.9179-179.200000110.8N153 T198 I199 S328N153-G155 PolarHBondContact O-N 2.83Å; G155-T198 PolarHBondContact O-OG1 3.4Å; G155-T198 VanDerWaalsContact O-OG1 3.07Å; G155-I199 WeakPolarHBondContact O-CD1 3.41Å; G155-S328 WeakPolarHBondContact CA-OG 3.31Å; G155-S328 PolarHBondContact O-OG 3.49Å
156S97.4Very high96.7Very high60 Ų6038 Ų3842%0.4221%0.213SC..SBendtrans-95.9-3.7-166.161.30000115.9T198 K200 K201S156-T198 WeakPolarHBondContact CA-O 3.2Å; S156-K200 PolarHBondContact O-N 3.01Å; S156-K201 PolarHBondContact O-N 2.76Å
157T98.5Very high96.9Very high26 Ų2635.1 Ų35.116%0.1620%0.199CC..EExtended strand (participates in β ladder)trans-123.9122.8-173.5-59.90000111.5K201 I203 C327 S328T157-K201 CarbonylContact C-O 3.6Å; T157-K201 WeakPolarHBondContact CA-O 3.29Å; T157-I203 HydrophobicContact CG2-CD1 3.91Å; T157-I203 HydrophobicContact CG2-CG1 4.27Å; T157-C327 HydrophobicContact CG2-CB 4.14Å; T157-C327 CarbonylContact O-C 3.47Å; T157-C327 WeakPolarHBondContact O-CA 3.19Å; T157-C327 VanDerWaalsContact O-CB 3.29Å; T157-C327 WeakPolarHBondContact O-CB 3.32Å; T157-S328 PolarHBondContact O-N 3.46Å; T157-S328 PolarHBondContact O-OG 3.02Å; T157-S328 VanDerWaalsContact O-OG 3.11Å
158A98.7Very high97.1Very high0 Ų029.2 Ų29.20%017%0.168CC..EExtended strand (participates in β ladder)trans-104.2141.6165.800000110.2F174 I199 K201 V202 I203 L329A158-F174 HydrophobicContact CB-CD2 4.47Å; A158-I199 HydrophobicContact CB-CD1 4.05Å; A158-I199 HydrophobicContact CB-CG2 4.29Å; A158-K201 PolarHBondContact N-O 2.87Å; A158-V202 HydrophobicContact CB-CG2 4.35Å; A158-V202 CarbonylContact O-C 3.54Å; A158-V202 WeakPolarHBondContact O-CA 3.31Å; A158-I203 PolarHBondContact O-N 3.15Å; A158-L329 CarbonylContact C-O 3.59Å; A158-L329 VanDerWaalsContact CA-O 3.31Å; A158-L329 WeakPolarHBondContact CA-O 3.21Å; A158-L329 HydrophobicContact CB-CB 4.01Å; A158-L329 HydrophobicContact CB-CD2 4Å; A158-L329 HydrophobicContact CB-CG 4.23Å
159V98.8Very high97.3Very high0 Ų029 Ų290%017%0.167CC..EExtended strand (participates in β ladder)trans-113.7131.4174.1171.80000108.6L161 I203 I205 F299 I325 C327 L329 L330 V331V159-L161 HydrophobicContact CG1-CD2 3.97Å; V159-I203 CarbonylContact C-O 3.51Å; V159-I203 WeakPolarHBondContact CA-O 3.49Å; V159-I203 HydrophobicContact CG2-CB 4.35Å; V159-I205 HydrophobicContact CG1-CG1 3.82Å; V159-F299 HydrophobicContact CG1-CZ 4.03Å; V159-I325 HydrophobicContact CG2-CG2 3.92Å; V159-C327 HydrophobicContact CB-CB 4.28Å; V159-C327 HydrophobicContact CG2-CB 3.6Å; V159-L329 PolarHBondContact N-O 3.31Å; V159-L330 HydrophobicContact CB-CD1 3.86Å; V159-L330 HydrophobicContact CG1-CD1 3.66Å; V159-L330 CarbonylContact O-C 3.07Å; V159-L330 WeakPolarHBondContact O-CA 3.31Å; V159-V331 PolarHBondContact O-N 3.36Å
160I98.8Very high97.5Very high0 Ų022 Ų220%014%0.14CC..EExtended strand (participates in β ladder)trans-114.7119.7175.2-53.8-178.3000108.9G162 A167 V170 A171 V202 I203 L204 I205 V331I160-G162 PolarHBondContact O-N 3.13Å; I160-A167 HydrophobicContact CG2-CB 3.8Å; I160-V170 HydrophobicContact CD1-CB 4.12Å; I160-V170 HydrophobicContact CD1-CG1 3.78Å; I160-A171 HydrophobicContact CD1-CB 3.86Å; I160-V202 HydrophobicContact CD1-CG1 3.59Å; I160-V202 HydrophobicContact CG1-CG1 3.88Å; I160-I203 PolarHBondContact N-O 3.4Å; I160-L204 HydrophobicContact CB-CG 4.39Å; I160-L204 CarbonylContact O-C 3.5Å; I160-L204 WeakPolarHBondContact O-CA 3.36Å; I160-I205 PolarHBondContact O-N 2.97Å; I160-V331 CarbonylContact C-O 3.48Å; I160-V331 WeakPolarHBondContact CA-O 3.3Å; I160-V331 HydrophobicContact CG1-CB 4.25Å
161L98.5Very high97.6Very high4 Ų421.6 Ų21.62%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-85.6104.6175.9-49.7-178.7000109.4L119 V159 I205 F285 F299 L330 V331 S333 F334L119-L161 HydrophobicContact CD1-CD1 3.61Å; L119-L161 HydrophobicContact CD2-CD1 4.44Å; V159-L161 HydrophobicContact CG1-CD2 3.97Å; L161-I205 HydrophobicContact CD2-CB 4.14Å; L161-I205 HydrophobicContact CD2-CG1 4.12Å; L161-F285 HydrophobicContact CD1-CB 3.96Å; L161-F285 HydrophobicContact CD1-CD2 3.69Å; L161-F285 HydrophobicContact CD1-CE2 4.36Å; L161-F285 HydrophobicContact CD1-CG 3.88Å; L161-F299 HydrophobicContact CD2-CE1 3.51Å; L161-F299 HydrophobicContact CD2-CZ 3.8Å; L161-L330 HydrophobicContact CD1-CD1 4.04Å; L161-L330 HydrophobicContact CD1-CD2 4.34Å; L161-L330 HydrophobicContact CD1-CG 4.49Å; L161-L330 HydrophobicContact CD2-CD1 3.95Å; L161-L330 HydrophobicContact CG-CD1 3.74Å; L161-V331 PolarHBondContact N-O 3.24Å; L161-S333 CarbonylContact O-C 3.5Å; L161-S333 WeakPolarHBondContact O-CA 3.26Å; L161-S333 WeakPolarHBondContact O-CB 3.38Å; L161-S333 PolarHBondContact O-N 2.91Å; L161-F334 HydrophobicContact CB-CE1 3.52Å; L161-F334 HydrophobicContact CB-CZ 3.81Å; L161-F334 HydrophobicContact CD1-CE1 4.5Å; L161-F334 HydrophobicContact CD1-CZ 3.92Å
162G97.5Very high97.6Very high14 Ų1418.4 Ų18.414%0.14412%0.121CC..  trans127.2150.4-177.700000112.4I160 A167 I205I160-G162 PolarHBondContact O-N 3.13Å; G162-A167 VanDerWaalsContact O-CB 3.26Å; G162-A167 WeakPolarHBondContact O-CB 3.37Å; G162-I205 CarbonylContact C-O 3.58Å; G162-I205 WeakPolarHBondContact CA-O 3.23Å; G162-I205 PolarHBondContact N-O 3.16Å
163Q96.6Very high97.6Very high14 Ų1418.2 Ų18.27%0.06512%0.12CC..  trans-134.253.4-178-71.7179.4-18.600110.1L204 G206 S214 F215 R280Q163-L204 HydrophobicContact CG-CB 4.16Å; Q163-L204 PolarHBondContact NE2-O 3.07Å; Q163-G206 VanDerWaalsContact CD-CA 3.5Å; Q163-S214 PolarHBondContact O-N 2.71Å; Q163-S214 PolarHBondContact O-OG 3.45Å; Q163-F215 HydrophobicContact CB-CD1 3.96Å; Q163-F215 HydrophobicContact CB-CE1 4.07Å; Q163-F215 WeakPolarHBondContact O-CD1 3.32Å; Q163-F215 PolarHBondContact O-N 2.85Å; Q163-F215 VanDerWaalsContact O-N 3.09Å; Q163-R280 PolarHBondContact NE2-O 3.08Å; Q163-R280 VanDerWaalsContact NE2-O 3.07Å
164G95.3Very high97.7Very high15 Ų1513.5 Ų13.516%0.15510%0.095CC..SBendtrans-108.7173.6169.200000111.3V166 A167 L168 S214G164-V166 VanDerWaalsContact C-N 3.31Å; G164-V166 PolarHBondContact O-N 3.32Å; G164-A167 WeakPolarHBondContact O-CB 3.27Å; G164-A167 PolarHBondContact O-N 3.49Å; G164-L168 WeakPolarHBondContact O-CD1 3.45Å; G164-L168 PolarHBondContact O-N 2.79Å; G164-S214 VanDerWaalsContact CA-OG 3.27Å; G164-S214 WeakPolarHBondContact CA-OG 3.41Å
165N95.9Very high97.7Very high36 Ų3612.3 Ų12.319%0.1939%0.085CC..Hα-helixtrans-50.7-47.7-177.5-69.7-2000112.9A167 L168 D169 F215 T216 E219N165-A167 VanDerWaalsContact C-N 3.28Å; N165-A167 PolarHBondContact O-N 2.82Å; N165-L168 CarbonylContact O-C 3.59Å; N165-L168 WeakPolarHBondContact O-CA 3.42Å; N165-L168 WeakPolarHBondContact O-CB 3.43Å; N165-L168 PolarHBondContact O-N 2.96Å; N165-D169 VanDerWaalsContact O-CG 3.32Å; N165-D169 PolarHBondContact O-N 3.23Å; N165-F215 VanDerWaalsContact OD1-CA 3.22Å; N165-F215 WeakPolarHBondContact OD1-CA 3.44Å; N165-T216 PolarHBondContact OD1-N 3.2Å; N165-E219 HydrophobicContact CB-CG 3.97Å; N165-E219 VanDerWaalsContact CG-CG 3.48Å; N165-E219 WeakPolarHBondContact OD1-CG 3.4Å
166V96.3Very high97.7Very high41 Ų4113 Ų1325%0.2488%0.081CC..Hα-helixtrans-59.9-36.4178.7-178.30000112.5A132 V136 G164 L168 D169 V170 Y336A132-V166 HydrophobicContact CB-CG1 4.01Å; V136-V166 HydrophobicContact CG2-CG1 3.69Å; G164-V166 VanDerWaalsContact C-N 3.31Å; G164-V166 PolarHBondContact O-N 3.32Å; V166-L168 VanDerWaalsContact C-N 3.33Å; V166-D169 PolarHBondContact O-N 3.09Å; V166-V170 WeakPolarHBondContact O-CG2 3.38Å; V166-V170 PolarHBondContact O-N 3.17Å; V166-Y336 HydrophobicContact CG2-CE2 4.42Å
167A98.2Very high97.6Very high0 Ų011.7 Ų11.70%07%0.071CC..Hα-helixtrans-65.7-39.4176.100000111.5I160 G162 G164 N165 A171 L204I160-A167 HydrophobicContact CG2-CB 3.8Å; G162-A167 VanDerWaalsContact O-CB 3.26Å; G162-A167 WeakPolarHBondContact O-CB 3.37Å; G164-A167 WeakPolarHBondContact O-CB 3.27Å; G164-A167 PolarHBondContact O-N 3.49Å; N165-A167 VanDerWaalsContact C-N 3.28Å; N165-A167 PolarHBondContact O-N 2.82Å; A167-A171 WeakPolarHBondContact O-CB 3.4Å; A167-A171 PolarHBondContact O-N 3.44Å; A167-L204 HydrophobicContact CB-CD2 4.2Å
168L98.2Very high97.5Very high0 Ų011.8 Ų11.80%07%0.072CC..Hα-helixtrans-68.8-37.6175.7-83.965.8000111.2G164 N165 V166 A171 R172 L204 F215 E219 L220 L223G164-L168 WeakPolarHBondContact O-CD1 3.45Å; G164-L168 PolarHBondContact O-N 2.79Å; N165-L168 CarbonylContact O-C 3.59Å; N165-L168 WeakPolarHBondContact O-CA 3.42Å; N165-L168 WeakPolarHBondContact O-CB 3.43Å; N165-L168 PolarHBondContact O-N 2.96Å; V166-L168 VanDerWaalsContact C-N 3.33Å; L168-A171 PolarHBondContact O-N 2.88Å; L168-R172 VanDerWaalsContact O-CB 3.25Å; L168-R172 WeakPolarHBondContact O-CB 3.48Å; L168-R172 PolarHBondContact O-N 3.44Å; L168-L204 HydrophobicContact CD1-CD2 3.73Å; L168-L204 HydrophobicContact CG-CD2 4.27Å; L168-F215 HydrophobicContact CD1-CB 3.86Å; L168-F215 HydrophobicContact CD1-CD1 3.67Å; L168-F215 HydrophobicContact CD1-CG 4.01Å; L168-F215 HydrophobicContact CD2-CB 3.7Å; L168-F215 HydrophobicContact CD2-CD1 4.19Å; L168-F215 HydrophobicContact CD2-CD2 4.23Å; L168-F215 HydrophobicContact CD2-CG 3.82Å; L168-F215 HydrophobicContact CG-CB 4.43Å; L168-E219 HydrophobicContact CD2-CB 3.98Å; L168-L220 HydrophobicContact CD2-CB 4.32Å; L168-L223 HydrophobicContact CG-CD2 4.32Å
169D97.7Very high97.3Very high14 Ų1417 Ų178%0.07510%0.1CC..Hα-helixtrans-61.2-48174.5-65.2-33.8000111.5A59 H62 N165 V166 A171 R172 V173A59-D169 HydrophobicContact CB-CB 4.27Å; H62-D169 IonicContact CE1-OD1 3.98Å; N165-D169 VanDerWaalsContact O-CG 3.32Å; N165-D169 PolarHBondContact O-N 3.23Å; V166-D169 PolarHBondContact O-N 3.09Å; D169-A171 PolarHBondContact O-N 2.74Å; D169-R172 WeakPolarHBondContact O-CB 3.44Å; D169-R172 PolarHBondContact O-N 3.29Å; D169-R172 IonicContact OD1-CZ 3.57Å; D169-R172 IonicContact OD1-NH1 3.29Å; D169-R172 PolarHBondContact OD1-NH1 3.2Å; D169-R172 IonicContact OD1-NH2 3.75Å; D169-R172 PolarHBondContact OD1-NH2 3.03Å; D169-V173 WeakPolarHBondContact O-CG2 3.27Å; D169-V173 PolarHBondContact O-N 3.12Å
170V98.5Very high97.1Very high0 Ų020.6 Ų20.60%012%0.117CC..Hα-helixtrans-61.1-45.7176.4172.10000111A132 I135 V136 Y139 I160 V166 R172 V173 F174 V331A132-V170 HydrophobicContact CB-CG2 4.38Å; I135-V170 HydrophobicContact CB-CG2 4.48Å; I135-V170 HydrophobicContact CG2-CG1 3.96Å; I135-V170 HydrophobicContact CG2-CG2 4.15Å; V136-V170 HydrophobicContact CG2-CG2 4Å; Y139-V170 HydrophobicContact CE1-CG2 4.45Å; I160-V170 HydrophobicContact CD1-CB 4.12Å; I160-V170 HydrophobicContact CD1-CG1 3.78Å; V166-V170 WeakPolarHBondContact O-CG2 3.38Å; V166-V170 PolarHBondContact O-N 3.17Å; V170-R172 VanDerWaalsContact C-N 3.31Å; V170-R172 PolarHBondContact O-N 3.09Å; V170-V173 PolarHBondContact O-N 3.48Å; V170-F174 HydrophobicContact CG1-CD2 4Å; V170-F174 HydrophobicContact CG1-CE1 4.5Å; V170-F174 HydrophobicContact CG1-CE2 3.56Å; V170-F174 HydrophobicContact CG1-CZ 3.85Å; V170-F174 WeakPolarHBondContact O-CG 3.42Å; V170-F174 PolarHBondContact O-N 3.21Å; V170-V331 HydrophobicContact CG1-CG1 4.4Å
171A98.7Very high97Very high0 Ų020.6 Ų20.60%012%0.117CC..Hα-helixtrans-57.8-46.6175.300000111.2I160 A167 L168 D169 V173 F174 L175 V202 L204 L223I160-A171 HydrophobicContact CD1-CB 3.86Å; A167-A171 WeakPolarHBondContact O-CB 3.4Å; A167-A171 PolarHBondContact O-N 3.44Å; L168-A171 PolarHBondContact O-N 2.88Å; D169-A171 PolarHBondContact O-N 2.74Å; A171-V173 PolarHBondContact O-N 2.92Å; A171-F174 PolarHBondContact O-N 2.83Å; A171-L175 WeakPolarHBondContact O-CB 3.37Å; A171-L175 VanDerWaalsContact O-CD1 3.32Å; A171-L175 WeakPolarHBondContact O-CD1 3.17Å; A171-L175 WeakPolarHBondContact O-CG 3.26Å; A171-L175 PolarHBondContact O-N 3.05Å; A171-V202 HydrophobicContact CB-CB 4.47Å; A171-V202 HydrophobicContact CB-CG1 3.76Å; A171-L204 HydrophobicContact CB-CD1 4.08Å; A171-L204 HydrophobicContact CB-CD2 4.15Å; A171-L204 HydrophobicContact CB-CG 4.39Å; A171-L223 HydrophobicContact CB-CD1 4.39Å
172R98Very high96.9Very high5 Ų523 Ų232%0.01913%0.128CC..Hα-helixtrans-60.1-46.7179.7-172.2176.264.4-103.5-9.4111.3D61 H62 L168 D169 V170 F174 L175 K176 E219 L223 L226D61-R172 IonicContact OD1-CZ 2.81Å; D61-R172 IonicContact OD1-NE 3.34Å; D61-R172 IonicContact OD1-NH2 2.75Å; D61-R172 PolarHBondContact OD1-NH2 2.93Å; D61-R172 IonicContact OD2-CZ 3.63Å; D61-R172 IonicContact OD2-NE 3.68Å; D61-R172 PolarHBondContact OD2-NE 3.27Å; H62-R172 PolarHBondContact CE1-NH2 3.32Å; H62-R172 PolarHBondContact NE2-NH2 3.32Å; L168-R172 VanDerWaalsContact O-CB 3.25Å; L168-R172 WeakPolarHBondContact O-CB 3.48Å; L168-R172 PolarHBondContact O-N 3.44Å; D169-R172 WeakPolarHBondContact O-CB 3.44Å; D169-R172 PolarHBondContact O-N 3.29Å; D169-R172 IonicContact OD1-CZ 3.57Å; D169-R172 IonicContact OD1-NH1 3.29Å; D169-R172 PolarHBondContact OD1-NH1 3.2Å; D169-R172 IonicContact OD1-NH2 3.75Å; D169-R172 PolarHBondContact OD1-NH2 3.03Å; V170-R172 VanDerWaalsContact C-N 3.31Å; V170-R172 PolarHBondContact O-N 3.09Å; R172-F174 PolarHBondContact O-N 2.62Å; R172-L175 PolarHBondContact O-N 2.92Å; R172-K176 WeakPolarHBondContact O-CB 3.24Å; R172-K176 PolarHBondContact O-N 2.82Å; R172-E219 IonicContact NH1-OE2 3.46Å; R172-L223 HydrophobicContact CB-CD1 3.87Å; R172-L223 HydrophobicContact CG-CD1 4.45Å; R172-L226 HydrophobicContact CG-CD1 4.4Å; R172-L226 HydrophobicContact CG-CD2 3.81Å; R172-L226 HydrophobicContact CG-CG 4.38Å
173V98Very high96.8Very high0 Ų027.3 Ų27.30%014%0.144CC..Hα-helixtrans-62.1-42178.3171.40000111.9Y139 D169 V170 A171 L175 L181 L194Y139-V173 HydrophobicContact CD1-CG1 4.05Å; Y139-V173 HydrophobicContact CE1-CB 4.4Å; Y139-V173 HydrophobicContact CE1-CG1 4.34Å; Y139-V173 HydrophobicContact CE1-CG2 4.21Å; D169-V173 WeakPolarHBondContact O-CG2 3.27Å; D169-V173 PolarHBondContact O-N 3.12Å; V170-V173 PolarHBondContact O-N 3.48Å; A171-V173 PolarHBondContact O-N 2.92Å; V173-L175 VanDerWaalsContact C-N 3.28Å; V173-L175 PolarHBondContact O-N 3.08Å; V173-L181 HydrophobicContact CG1-CD1 4.29Å; V173-L194 HydrophobicContact CG1-CD1 4.04Å
174F98.2Very high96.8Very high1 Ų127.1 Ų27.10%0.00414%0.144CC..Hα-helixtrans-67.5-28.4176.3-68.5-16.6000113.4I135 L152 A158 V170 A171 R172 L194 V202 K275 L329 V331I135-F174 HydrophobicContact CD1-CZ 4.34Å; I135-F174 HydrophobicContact CG1-CZ 4.46Å; I135-F174 HydrophobicContact CG2-CE1 3.99Å; I135-F174 HydrophobicContact CG2-CZ 3.77Å; L152-F174 HydrophobicContact CD1-CD1 4.47Å; L152-F174 HydrophobicContact CD1-CE1 4.42Å; L152-F174 HydrophobicContact CD2-CE1 4.13Å; L152-F174 HydrophobicContact CD2-CZ 4.32Å; A158-F174 HydrophobicContact CB-CD2 4.47Å; V170-F174 HydrophobicContact CG1-CD2 4Å; V170-F174 HydrophobicContact CG1-CE1 4.5Å; V170-F174 HydrophobicContact CG1-CE2 3.56Å; V170-F174 HydrophobicContact CG1-CZ 3.85Å; V170-F174 WeakPolarHBondContact O-CG 3.42Å; V170-F174 PolarHBondContact O-N 3.21Å; A171-F174 PolarHBondContact O-N 2.83Å; R172-F174 PolarHBondContact O-N 2.62Å; F174-L194 HydrophobicContact CD1-CD2 4.17Å; F174-V202 HydrophobicContact CB-CG2 4.23Å; F174-K275 PolarHBondContact O-NZ 3.15Å; F174-L329 HydrophobicContact CD2-CD2 4.19Å; F174-L329 HydrophobicContact CE2-CD2 3.42Å; F174-L329 VanDerWaalsContact CE2-CD2 3.42Å; F174-L329 HydrophobicContact CZ-CD2 3.67Å; F174-V331 HydrophobicContact CE2-CG2 4.06Å; F174-V331 HydrophobicContact CZ-CG2 4.41Å
175L97.7Very high96.8Very high5 Ų527.1 Ų27.13%0.02614%0.141CC..Hα-helixtrans-90.8-30.1-177.1-66.6166000113A171 R172 V173 V202 L226 T229 K275 W277A171-L175 WeakPolarHBondContact O-CB 3.37Å; A171-L175 VanDerWaalsContact O-CD1 3.32Å; A171-L175 WeakPolarHBondContact O-CD1 3.17Å; A171-L175 WeakPolarHBondContact O-CG 3.26Å; A171-L175 PolarHBondContact O-N 3.05Å; R172-L175 PolarHBondContact O-N 2.92Å; V173-L175 VanDerWaalsContact C-N 3.28Å; V173-L175 PolarHBondContact O-N 3.08Å; L175-V202 HydrophobicContact CD1-CB 4.17Å; L175-V202 HydrophobicContact CD1-CG2 4.07Å; L175-V202 HydrophobicContact CD2-CB 4.42Å; L175-V202 HydrophobicContact CD2-CG2 3.76Å; L175-V202 HydrophobicContact CG-CB 4.4Å; L175-V202 HydrophobicContact CG-CG2 3.76Å; L175-L226 HydrophobicContact CB-CD1 3.7Å; L175-L226 HydrophobicContact CD1-CD1 3.99Å; L175-T229 HydrophobicContact CD1-CG2 4.35Å; L175-K275 HydrophobicContact CB-CD 4.44Å; L175-K275 HydrophobicContact CD2-CB 3.99Å; L175-K275 HydrophobicContact CD2-CD 3.98Å; L175-K275 HydrophobicContact CD2-CG 4.49Å; L175-K275 WeakPolarHBondContact O-CD 3.42Å; L175-K275 PolarHBondContact O-NZ 3.15Å; L175-W277 HydrophobicContact CD1-CB 3.7Å; L175-W277 HydrophobicContact CD1-CG 4.19Å
176K96.1Very high96.9Very high39 Ų3925.4 Ų25.417%0.1713%0.131CC..SBendtrans-60153.3179-141170.9-157.7170.60111.9D61 R172 E180 L181 L226D61-K176 HydrophobicContact CB-CD 4.46Å; D61-K176 IonicContact OD2-NZ 3.9Å; D61-K176 PolarHBondContact OD2-NZ 2.81Å; R172-K176 WeakPolarHBondContact O-CB 3.24Å; R172-K176 PolarHBondContact O-N 2.82Å; K176-E180 HydrophobicContact CD-CB 4.11Å; K176-E180 WeakPolarHBondContact CE-OE1 3.5Å; K176-E180 HydrophobicContact CG-CB 4Å; K176-L181 HydrophobicContact CB-CD1 4.06Å; K176-L181 HydrophobicContact CB-CG 4.17Å; K176-L181 HydrophobicContact CD-CD2 3.78Å; K176-L181 HydrophobicContact CD-CG 4.07Å; K176-L181 HydrophobicContact CG-CG 4.43Å; K176-L226 HydrophobicContact CG-CD2 4.25Å
177S94.8Very high96.9Very high31 Ų3123.6 Ų23.622%0.21712%0.121CC..  trans-71.7144.4172.569.90000110.3D179 E180 L181S177-D179 PolarHBondContact O-N 3.22Å; S177-E180 WeakPolarHBondContact CB-OE2 3.42Å; S177-E180 PolarHBondContact N-OE2 3.26Å; S177-E180 PolarHBondContact O-N 3.06Å; S177-E180 WeakPolarHBondContact OG-CG 3.37Å; S177-E180 PolarHBondContact OG-N 3.42Å; S177-E180 PolarHBondContact OG-OE2 2.89Å; S177-L181 PolarHBondContact O-N 3.48Å
178P96.5Very high96.8Very high28 Ų2826.4 Ų26.418%0.18213%0.134CC..Hα-helixtrans-56.2-31.8171.1-25.834.6000112.6E180 L181 Q182 L191 L194 R195P178-E180 VanDerWaalsContact C-N 3.33Å; P178-E180 PolarHBondContact O-N 3.14Å; P178-L181 CarbonylContact O-C 3.54Å; P178-L181 PolarHBondContact O-N 3.46Å; P178-L181 VanDerWaalsContact O-N 3.12Å; P178-Q182 WeakPolarHBondContact O-CB 3.31Å; P178-Q182 PolarHBondContact O-N 3.46Å; P178-L191 HydrophobicContact CB-CD1 4.06Å; P178-L194 HydrophobicContact CG-CB 4.42Å; P178-R195 HydrophobicContact CB-CG 3.76Å; P178-R195 HydrophobicContact CG-CG 4.1Å
179D95.5Very high96.6Very high110 Ų11030 Ų3059%0.58816%0.157SC*.Hα-helixtrans-65.8-34.6-180-62.5-24.9000112.7S177 L181 Q182S177-D179 PolarHBondContact O-N 3.22Å; D179-L181 VanDerWaalsContact C-N 3.35Å; D179-Q182 WeakPolarHBondContact O-CG 3.3Å; D179-Q182 PolarHBondContact O-NE2 3.06Å
180E94.5Very high96.6Very high75 Ų7529.3 Ų29.335%0.3515%0.154SC..Hα-helixtrans-73.2-28173.4-72.9167.387.200112.6K176 S177 P178K176-E180 HydrophobicContact CD-CB 4.11Å; K176-E180 WeakPolarHBondContact CE-OE1 3.5Å; K176-E180 HydrophobicContact CG-CB 4Å; S177-E180 WeakPolarHBondContact CB-OE2 3.42Å; S177-E180 PolarHBondContact N-OE2 3.26Å; S177-E180 PolarHBondContact O-N 3.06Å; S177-E180 WeakPolarHBondContact OG-CG 3.37Å; S177-E180 PolarHBondContact OG-N 3.42Å; S177-E180 PolarHBondContact OG-OE2 2.89Å; P178-E180 VanDerWaalsContact C-N 3.33Å; P178-E180 PolarHBondContact O-N 3.14Å
181L96.5Very high96.6Very high0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-90.5-23.5-177.9-68.6174.3000112.8D61 V173 K176 S177 P178 D179 H183 T184 I186 L191 L194D61-L181 HydrophobicContact CB-CD2 3.95Å; V173-L181 HydrophobicContact CG1-CD1 4.29Å; K176-L181 HydrophobicContact CB-CD1 4.06Å; K176-L181 HydrophobicContact CB-CG 4.17Å; K176-L181 HydrophobicContact CD-CD2 3.78Å; K176-L181 HydrophobicContact CD-CG 4.07Å; K176-L181 HydrophobicContact CG-CG 4.43Å; S177-L181 PolarHBondContact O-N 3.48Å; P178-L181 CarbonylContact O-C 3.54Å; P178-L181 PolarHBondContact O-N 3.46Å; P178-L181 VanDerWaalsContact O-N 3.12Å; D179-L181 VanDerWaalsContact C-N 3.35Å; L181-H183 PolarHBondContact O-N 3.49Å; L181-T184 WeakPolarHBondContact O-CB 3.41Å; L181-T184 WeakPolarHBondContact O-CG2 3.22Å; L181-T184 PolarHBondContact O-N 2.64Å; L181-T184 PolarHBondContact O-OG1 2.64Å; L181-I186 HydrophobicContact CB-CG2 4.48Å; L181-I186 HydrophobicContact CD1-CD1 4.24Å; L181-I186 WeakPolarHBondContact O-CG2 3.46Å; L181-L191 HydrophobicContact CB-CD1 4.3Å; L181-L194 HydrophobicContact CD1-CD1 3.79Å
182Q96.4Very high96.5Very high55 Ų5533.1 Ų33.126%0.25717%0.174SC..THydrogen-bonded Turntrans-61.3-25.6-169.473.9-170-42.900113.7P178 D179 L191 K447P178-Q182 WeakPolarHBondContact O-CB 3.31Å; P178-Q182 PolarHBondContact O-N 3.46Å; D179-Q182 WeakPolarHBondContact O-CG 3.3Å; D179-Q182 PolarHBondContact O-NE2 3.06Å; Q182-L191 HydrophobicContact CB-CD1 4.36Å; Q182-L191 HydrophobicContact CB-CD2 3.88Å; Q182-K447 WeakPolarHBondContact O-CD 3.33Å; Q182-K447 WeakPolarHBondContact O-CE 3.14Å; Q182-K447 WeakPolarHBondContact O-CG 3.38Å
183H95.6Very high96.5Very high104 Ų10434.2 Ų34.248%0.48118%0.184SC..THydrogen-bonded Turntrans-86.5-9-180-56.2-57000113.7L181 N446 L448L181-H183 PolarHBondContact O-N 3.49Å; H183-N446 PolarHBondContact ND1-O 2.94Å; H183-L448 WeakPolarHBondContact O-CG 3.35Å; H183-L448 PolarHBondContact O-N 3.5Å; H183-L448 VanDerWaalsContact O-N 3.08Å
184T96.1Very high96.5Very high10 Ų1034.7 Ų34.76%0.06119%0.187CC..SBendtrans-79.8-175.5-179.470.10000112.3P60 L181 I186P60-T184 VanDerWaalsContact O-CB 3.29Å; P60-T184 WeakPolarHBondContact O-CB 3.35Å; P60-T184 WeakPolarHBondContact O-CG2 3.42Å; L181-T184 WeakPolarHBondContact O-CB 3.41Å; L181-T184 WeakPolarHBondContact O-CG2 3.22Å; L181-T184 PolarHBondContact O-N 2.64Å; L181-T184 PolarHBondContact O-OG1 2.64Å; T184-I186 PolarHBondContact O-N 3.28Å; T184-I186 WeakPolarHBondContact OG1-CB 3.49Å; T184-I186 WeakPolarHBondContact OG1-CG2 3.48Å; T184-I186 PolarHBondContact OG1-N 2.84Å
185D95.6Very high96.5Very high15 Ų1540.2 Ų40.28%0.0821%0.207CC..SBendtrans-86.618.5172.974.7-37.6000113.9P60 K66 R449 K451P60-D185 WeakPolarHBondContact CA-OD1 3.42Å; P60-D185 WeakPolarHBondContact CB-OD1 3.27Å; K66-D185 IonicContact NZ-OD1 3.61Å; K66-D185 PolarHBondContact NZ-OD1 3.49Å; K66-D185 IonicContact NZ-OD2 3.67Å; K66-D185 PolarHBondContact NZ-OD2 3.21Å; D185-R449 HydrophobicContact CB-CB 4.07Å; D185-K451 WeakPolarHBondContact OD2-CE 3.46Å; D185-K451 IonicContact OD2-NZ 2.81Å; D185-K451 PolarHBondContact OD2-NZ 3.07Å
186I97.7Very high96.5Very high0 Ų042 Ų420%023%0.228CC..  trans-59.5138.3174-167.6167.2000111.1P60 Y139 L181 T184 A190 L191 L194P60-I186 HydrophobicContact CB-CB 3.84Å; P60-I186 HydrophobicContact CG-CB 3.99Å; P60-I186 HydrophobicContact CG-CD1 4.23Å; P60-I186 HydrophobicContact CG-CG1 4.2Å; Y139-I186 WeakPolarHBondContact O-CA 3.14Å; L181-I186 HydrophobicContact CB-CG2 4.48Å; L181-I186 HydrophobicContact CD1-CD1 4.24Å; L181-I186 WeakPolarHBondContact O-CG2 3.46Å; T184-I186 PolarHBondContact O-N 3.28Å; T184-I186 WeakPolarHBondContact OG1-CB 3.49Å; T184-I186 WeakPolarHBondContact OG1-CG2 3.48Å; T184-I186 PolarHBondContact OG1-N 2.84Å; I186-A190 HydrophobicContact CD1-CB 4.25Å; I186-A190 HydrophobicContact CG1-CB 4.02Å; I186-L191 HydrophobicContact CG2-CB 4.26Å; I186-L191 HydrophobicContact CG2-CD1 4.32Å; I186-L194 HydrophobicContact CD1-CD1 3.59Å
187T96.8Very high96.6Very high4 Ų441.3 Ų41.33%0.02523%0.228CC..  trans-64.2147.1178.763.80000112W138 Y139 A190 L191 V453W138-T187 WeakPolarHBondContact O-CG2 3.06Å; W138-T187 PolarHBondContact O-OG1 3.13Å; Y139-T187 PolarHBondContact O-N 3.33Å; T187-A190 PolarHBondContact O-N 3.08Å; T187-A190 VanDerWaalsContact OG1-CB 3.24Å; T187-A190 WeakPolarHBondContact OG1-CB 3.47Å; T187-A190 PolarHBondContact OG1-N 3.42Å; T187-L191 PolarHBondContact O-N 3.31Å; T187-V453 HydrophobicContact CG2-CG1 4.2Å
188E95.3Very high96.7Very high58 Ų5842.5 Ų42.527%0.27123%0.233SC..Hα-helixtrans-62.7-40.9178.8-168.158.3-150.400113.2A190 L191 N192 R195 K447E188-A190 VanDerWaalsContact C-N 3.29Å; E188-A190 PolarHBondContact O-N 2.89Å; E188-L191 PolarHBondContact O-N 2.67Å; E188-N192 WeakPolarHBondContact O-CB 3.45Å; E188-N192 PolarHBondContact O-N 3.25Å; E188-N192 PolarHBondContact O-ND2 2.9Å; E188-N192 PolarHBondContact OE1-ND2 3.24Å; E188-N192 PolarHBondContact OE1-OD1 3.23Å; E188-R195 IonicContact OE1-CZ 2.76Å; E188-R195 IonicContact OE1-NH1 2.71Å; E188-R195 PolarHBondContact OE1-NH1 3.23Å; E188-K447 IonicContact OE2-NZ 3.39Å; E188-K447 PolarHBondContact OE2-NZ 3.3Å
189P95.7Very high96.8Very high76 Ų7641.1 Ų41.149%0.49423%0.225SC..Hα-helixtrans-56.8-40.4171.6-27.436.7000113.3A193P189-A193 PolarHBondContact O-N 3.24Å; P189-A193 VanDerWaalsContact O-N 3.08Å
190A97.5Very high96.9Very high0 Ų040.4 Ų40.40%022%0.216CC..Hα-helixtrans-70-43.3177.900000112.7W138 I186 T187 E188 N192 A193 L194W138-A190 HydrophobicContact CD2-CB 3.9Å; W138-A190 HydrophobicContact CE3-CB 3.95Å; W138-A190 HydrophobicContact CH2-CB 3.78Å; W138-A190 HydrophobicContact CZ2-CB 3.74Å; W138-A190 HydrophobicContact CZ3-CB 3.87Å; I186-A190 HydrophobicContact CD1-CB 4.25Å; I186-A190 HydrophobicContact CG1-CB 4.02Å; T187-A190 PolarHBondContact O-N 3.08Å; T187-A190 VanDerWaalsContact OG1-CB 3.24Å; T187-A190 WeakPolarHBondContact OG1-CB 3.47Å; T187-A190 PolarHBondContact OG1-N 3.42Å; E188-A190 VanDerWaalsContact C-N 3.29Å; E188-A190 PolarHBondContact O-N 2.89Å; A190-N192 VanDerWaalsContact C-N 3.32Å; A190-N192 PolarHBondContact O-N 2.77Å; A190-A193 PolarHBondContact O-N 2.92Å; A190-L194 VanDerWaalsContact O-CG 3.29Å; A190-L194 WeakPolarHBondContact O-CG 3.38Å; A190-L194 PolarHBondContact O-N 2.84Å
191L97.4Very high97.1Very high0 Ų039 Ų390%021%0.209CC..Hα-helixtrans-60.8-41.5176-172.661.1000111.7P178 L181 Q182 I186 T187 E188 L194 R195P178-L191 HydrophobicContact CB-CD1 4.06Å; L181-L191 HydrophobicContact CB-CD1 4.3Å; Q182-L191 HydrophobicContact CB-CD1 4.36Å; Q182-L191 HydrophobicContact CB-CD2 3.88Å; I186-L191 HydrophobicContact CG2-CB 4.26Å; I186-L191 HydrophobicContact CG2-CD1 4.32Å; T187-L191 PolarHBondContact O-N 3.31Å; E188-L191 PolarHBondContact O-N 2.67Å; L191-L194 PolarHBondContact O-N 2.95Å; L191-R195 WeakPolarHBondContact O-CG 3.49Å; L191-R195 PolarHBondContact O-N 2.84Å
192N97.1Very high97.2Very high79 Ų7939 Ų3942%0.42221%0.209SC..Hα-helixtrans-65.7-41.9176.9-75.2-31.2000113E188 A190 L194 R195 G196E188-N192 WeakPolarHBondContact O-CB 3.45Å; E188-N192 PolarHBondContact O-N 3.25Å; E188-N192 PolarHBondContact O-ND2 2.9Å; E188-N192 PolarHBondContact OE1-ND2 3.24Å; E188-N192 PolarHBondContact OE1-OD1 3.23Å; A190-N192 VanDerWaalsContact C-N 3.32Å; A190-N192 PolarHBondContact O-N 2.77Å; N192-L194 VanDerWaalsContact C-N 3.29Å; N192-L194 PolarHBondContact O-N 2.97Å; N192-R195 PolarHBondContact O-N 3.24Å; N192-R195 PolarHBondContact OD1-NH1 3.32Å; N192-G196 PolarHBondContact O-N 3.43Å; N192-G196 VanDerWaalsContact O-N 3.15Å
193A97.9Very high97.3Very high29 Ų2936.6 Ų36.624%0.2420%0.198CC..Hα-helixtrans-61.6-38.8173.100000111.8W138 L152 P189 A190 G196 S197W138-A193 HydrophobicContact CH2-CB 3.73Å; W138-A193 HydrophobicContact CZ2-CB 3.66Å; L152-A193 HydrophobicContact CD1-CB 4.12Å; L152-A193 HydrophobicContact CG-CB 4.45Å; P189-A193 PolarHBondContact O-N 3.24Å; P189-A193 VanDerWaalsContact O-N 3.08Å; A190-A193 PolarHBondContact O-N 2.92Å; A193-G196 PolarHBondContact O-N 3.13Å; A193-S197 PolarHBondContact O-N 3.11Å
194L98.1Very high97.4Very high10 Ų1031.6 Ų31.65%0.05218%0.175CC..Hα-helixtrans-68.2-38.2176.2-71166.9000112.5L152 V173 F174 P178 L181 I186 A190 L191 N192 G196 S197L152-L194 HydrophobicContact CD1-CD2 3.74Å; L152-L194 HydrophobicContact CD1-CG 4.16Å; V173-L194 HydrophobicContact CG1-CD1 4.04Å; F174-L194 HydrophobicContact CD1-CD2 4.17Å; P178-L194 HydrophobicContact CG-CB 4.42Å; L181-L194 HydrophobicContact CD1-CD1 3.79Å; I186-L194 HydrophobicContact CD1-CD1 3.59Å; A190-L194 VanDerWaalsContact O-CG 3.29Å; A190-L194 WeakPolarHBondContact O-CG 3.38Å; A190-L194 PolarHBondContact O-N 2.84Å; L191-L194 PolarHBondContact O-N 2.95Å; N192-L194 VanDerWaalsContact C-N 3.29Å; N192-L194 PolarHBondContact O-N 2.97Å; L194-G196 VanDerWaalsContact C-N 3.29Å; L194-G196 PolarHBondContact O-N 2.88Å; L194-S197 VanDerWaalsContact O-CB 3.24Å; L194-S197 WeakPolarHBondContact O-CB 3.41Å; L194-S197 PolarHBondContact O-N 2.77Å; L194-S197 VanDerWaalsContact O-N 3.11Å
195R97.8Very high97.5Very high116 Ų11631.4 Ų31.444%0.43817%0.173SC..Hα-helixtrans-58.9-39.9173.2-75.3174.7-179.6135.6-2.8112.1P178 E188 L191 N192 S197P178-R195 HydrophobicContact CB-CG 3.76Å; P178-R195 HydrophobicContact CG-CG 4.1Å; E188-R195 IonicContact OE1-CZ 2.76Å; E188-R195 IonicContact OE1-NH1 2.71Å; E188-R195 PolarHBondContact OE1-NH1 3.23Å; L191-R195 WeakPolarHBondContact O-CG 3.49Å; L191-R195 PolarHBondContact O-N 2.84Å; N192-R195 PolarHBondContact O-N 3.24Å; N192-R195 PolarHBondContact OD1-NH1 3.32Å; R195-S197 VanDerWaalsContact C-N 3.32Å
196G97.4Very high97.6Very high44 Ų4431 Ų3145%0.45417%0.172SC..THydrogen-bonded Turntrans-82.8-0.1176.200000115N153 N192 A193 L194N153-G196 VanDerWaalsContact CB-O 3.32Å; N153-G196 WeakPolarHBondContact CB-O 3.45Å; N192-G196 PolarHBondContact O-N 3.43Å; N192-G196 VanDerWaalsContact O-N 3.15Å; A193-G196 PolarHBondContact O-N 3.13Å; L194-G196 VanDerWaalsContact C-N 3.29Å; L194-G196 PolarHBondContact O-N 2.88Å
197S98Very high97.5Very high24 Ų2438.2 Ų38.217%0.16820%0.2CC..  trans-69.4134.8-169.4-176.90000113.3L152 A193 L194 R195 I199L152-S197 CarbonylContact O-C 3.58Å; L152-S197 WeakPolarHBondContact O-CA 3.45Å; L152-S197 PolarHBondContact O-OG 3.39Å; L152-S197 VanDerWaalsContact O-OG 3.09Å; A193-S197 PolarHBondContact O-N 3.11Å; L194-S197 VanDerWaalsContact O-CB 3.24Å; L194-S197 WeakPolarHBondContact O-CB 3.41Å; L194-S197 PolarHBondContact O-N 2.77Å; L194-S197 VanDerWaalsContact O-N 3.11Å; R195-S197 VanDerWaalsContact C-N 3.32Å; S197-I199 WeakPolarHBondContact OG-CB 3.49Å; S197-I199 WeakPolarHBondContact OG-CG1 3.07Å; S197-I199 PolarHBondContact OG-N 2.99Å
198T97.7Very high97.4Very high55 Ų5540.5 Ų40.534%0.33721%0.208SC..  trans-100.52.1171.362.60000112.8L152 N153 G155 S156 K200L152-T198 PolarHBondContact O-N 3.38Å; N153-T198 VanDerWaalsContact C-OG1 3.31Å; N153-T198 VanDerWaalsContact CA-OG1 3.27Å; N153-T198 WeakPolarHBondContact CA-OG1 3.48Å; N153-T198 HydrophobicContact CB-CG2 4.09Å; N153-T198 PolarHBondContact O-OG1 2.9Å; G155-T198 PolarHBondContact O-OG1 3.4Å; G155-T198 VanDerWaalsContact O-OG1 3.07Å; S156-T198 WeakPolarHBondContact CA-O 3.2Å; T198-K200 WeakPolarHBondContact O-CG 3.38Å; T198-K200 PolarHBondContact O-N 3.07Å
199I98.2Very high97.4Very high0 Ų037.8 Ų37.80%020%0.196CC..  trans-60.1118.9177.5-58.6-63.6000110G155 A158 S197 V202G155-I199 WeakPolarHBondContact O-CD1 3.41Å; A158-I199 HydrophobicContact CB-CD1 4.05Å; A158-I199 HydrophobicContact CB-CG2 4.29Å; S197-I199 WeakPolarHBondContact OG-CB 3.49Å; S197-I199 WeakPolarHBondContact OG-CG1 3.07Å; S197-I199 PolarHBondContact OG-N 2.99Å; I199-V202 HydrophobicContact CG2-CG2 3.98Å
200K97.6Very high97.3Very high95 Ų9534.3 Ų34.341%0.41317%0.173SC..  trans-109.1-24.7173.5-56.4-52.9-176.8-177.40112.1S156 T198 K275 Q276S156-K200 PolarHBondContact O-N 3.01Å; T198-K200 WeakPolarHBondContact O-CG 3.38Å; T198-K200 PolarHBondContact O-N 3.07Å; K200-K275 CarbonylContact O-C 3.58Å; K200-K275 WeakPolarHBondContact O-CA 3.43Å; K200-Q276 PolarHBondContact O-N 3.32Å
201K98.2Very high97.1Very high45 Ų4534.6 Ų34.620%0.19617%0.174CC..EExtended strand (participates in β ladder)trans-131.9131.6-175.5-170.1170.4-176.5175.40111.5S156 T157 A158 I203 Q276 E278S156-K201 PolarHBondContact O-N 2.76Å; T157-K201 CarbonylContact C-O 3.6Å; T157-K201 WeakPolarHBondContact CA-O 3.29Å; A158-K201 PolarHBondContact N-O 2.87Å; K201-I203 HydrophobicContact CD-CD1 4.31Å; K201-I203 HydrophobicContact CD-CG1 4.24Å; K201-I203 HydrophobicContact CG-CG1 4.06Å; K201-Q276 VanDerWaalsContact CA-O 3.3Å; K201-Q276 WeakPolarHBondContact CA-O 3.47Å; K201-Q276 HydrophobicContact CG-CB 4.3Å; K201-E278 WeakPolarHBondContact CE-OE2 3.33Å; K201-E278 IonicContact NZ-OE2 3.99Å; K201-E278 PolarHBondContact NZ-OE2 2.71Å
202V98.7Very high96.9Very high0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-118121169.8-178.20000109.6A158 I160 A171 F174 L175 I199 L204 Q276 W277 E278A158-V202 HydrophobicContact CB-CG2 4.35Å; A158-V202 CarbonylContact O-C 3.54Å; A158-V202 WeakPolarHBondContact O-CA 3.31Å; I160-V202 HydrophobicContact CD1-CG1 3.59Å; I160-V202 HydrophobicContact CG1-CG1 3.88Å; A171-V202 HydrophobicContact CB-CB 4.47Å; A171-V202 HydrophobicContact CB-CG1 3.76Å; F174-V202 HydrophobicContact CB-CG2 4.23Å; L175-V202 HydrophobicContact CD1-CB 4.17Å; L175-V202 HydrophobicContact CD1-CG2 4.07Å; L175-V202 HydrophobicContact CD2-CB 4.42Å; L175-V202 HydrophobicContact CD2-CG2 3.76Å; L175-V202 HydrophobicContact CG-CB 4.4Å; L175-V202 HydrophobicContact CG-CG2 3.76Å; I199-V202 HydrophobicContact CG2-CG2 3.98Å; V202-L204 HydrophobicContact CG1-CD1 4.3Å; V202-Q276 PolarHBondContact N-O 3.01Å; V202-W277 CarbonylContact O-C 3.37Å; V202-W277 WeakPolarHBondContact O-CA 3.14Å; V202-E278 PolarHBondContact O-N 3.23Å
203I98.7Very high96.8Very high4 Ų431.2 Ų31.22%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-107.6116.7-179.2-51177.6000108.8T157 A158 V159 I160 K201 I205 E278 R280 I325T157-I203 HydrophobicContact CG2-CD1 3.91Å; T157-I203 HydrophobicContact CG2-CG1 4.27Å; A158-I203 PolarHBondContact O-N 3.15Å; V159-I203 CarbonylContact C-O 3.51Å; V159-I203 WeakPolarHBondContact CA-O 3.49Å; V159-I203 HydrophobicContact CG2-CB 4.35Å; I160-I203 PolarHBondContact N-O 3.4Å; K201-I203 HydrophobicContact CD-CD1 4.31Å; K201-I203 HydrophobicContact CD-CG1 4.24Å; K201-I203 HydrophobicContact CG-CG1 4.06Å; I203-I205 HydrophobicContact CG2-CD1 3.61Å; I203-E278 CarbonylContact C-O 3.57Å; I203-E278 WeakPolarHBondContact CA-O 3.33Å; I203-E278 HydrophobicContact CG1-CB 4.27Å; I203-E278 HydrophobicContact CG2-CB 4.23Å; I203-E278 HydrophobicContact CG2-CG 4.45Å; I203-R280 HydrophobicContact CG2-CG 3.86Å; I203-I325 HydrophobicContact CD1-CG2 3.87Å
204L98.7Very high96.5Very high0 Ų033.8 Ų33.80%017%0.173CC..EExtended strand (participates in β ladder)trans-97.5118.3176.6-56.490.2000110.4I160 Q163 A167 L168 A171 V202 E278 L279 R280I160-L204 HydrophobicContact CB-CG 4.39Å; I160-L204 CarbonylContact O-C 3.5Å; I160-L204 WeakPolarHBondContact O-CA 3.36Å; Q163-L204 HydrophobicContact CG-CB 4.16Å; Q163-L204 PolarHBondContact NE2-O 3.07Å; A167-L204 HydrophobicContact CB-CD2 4.2Å; L168-L204 HydrophobicContact CD1-CD2 3.73Å; L168-L204 HydrophobicContact CG-CD2 4.27Å; A171-L204 HydrophobicContact CB-CD1 4.08Å; A171-L204 HydrophobicContact CB-CD2 4.15Å; A171-L204 HydrophobicContact CB-CG 4.39Å; V202-L204 HydrophobicContact CG1-CD1 4.3Å; L204-E278 PolarHBondContact N-O 2.99Å; L204-L279 HydrophobicContact CB-CD2 3.94Å; L204-L279 HydrophobicContact CD1-CD2 4.2Å; L204-L279 HydrophobicContact CG-CD2 4.47Å; L204-R280 PolarHBondContact O-N 3.14Å
205I98.4Very high96.4Very high6 Ų633.5 Ų33.53%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-97.5122.6-174.2-52.9-60.9000110.6V159 I160 L161 G162 I203 R280 L283 F299 I325V159-I205 HydrophobicContact CG1-CG1 3.82Å; I160-I205 PolarHBondContact O-N 2.97Å; L161-I205 HydrophobicContact CD2-CB 4.14Å; L161-I205 HydrophobicContact CD2-CG1 4.12Å; G162-I205 CarbonylContact C-O 3.58Å; G162-I205 WeakPolarHBondContact CA-O 3.23Å; G162-I205 PolarHBondContact N-O 3.16Å; I203-I205 HydrophobicContact CG2-CD1 3.61Å; I205-R280 HydrophobicContact CD1-CB 3.89Å; I205-R280 HydrophobicContact CD1-CG 4.26Å; I205-L283 HydrophobicContact CD1-CD1 4.27Å; I205-L283 HydrophobicContact CG2-CB 3.64Å; I205-F299 HydrophobicContact CB-CE1 4.24Å; I205-F299 HydrophobicContact CD1-CE1 4.48Å; I205-F299 HydrophobicContact CD1-CZ 4.31Å; I205-F299 HydrophobicContact CG1-CE1 3.88Å; I205-F299 HydrophobicContact CG1-CZ 3.88Å; I205-F299 HydrophobicContact CG2-CD1 3.96Å; I205-F299 HydrophobicContact CG2-CE1 3.74Å; I205-I325 HydrophobicContact CD1-CD1 3.9Å
206G96.9Very high96.2Very high6 Ų629.8 Ų29.86%0.06216%0.161CC..  trans-109.3130.8173.200000111.8Q163 R208 R280 F281 L282 L283Q163-G206 VanDerWaalsContact CD-CA 3.5Å; G206-R208 VanDerWaalsContact C-N 3.27Å; G206-R208 PolarHBondContact O-N 3.36Å; G206-R280 PolarHBondContact N-O 2.95Å; G206-F281 CarbonylContact O-C 3.6Å; G206-L282 PolarHBondContact O-N 3.45Å; G206-L283 PolarHBondContact O-N 3.03Å
207R95.7Very high96.1Very high152 Ų15229.2 Ų29.257%0.57415%0.149SC*.SBendtrans-69-22.5175.465.6166.1-153178.37.6114.3L283 N302 A316R207-L283 VanDerWaalsContact CA-O 3.31Å; R207-L283 WeakPolarHBondContact CA-O 3.24Å; R207-N302 PolarHBondContact O-ND2 2.83Å; R207-A316 VanDerWaalsContact O-CB 3.25Å; R207-A316 WeakPolarHBondContact O-CB 3.34Å
208R95Very high95.9Very high52 Ų5232.3 Ų32.320%0.19616%0.159CC..SBendtrans-115.1-178.3-178-71.6177.5-57.1173.59110.1G206 Q212 F281 L282 L304 R312 A314 A316G206-R208 VanDerWaalsContact C-N 3.27Å; G206-R208 PolarHBondContact O-N 3.36Å; R208-Q212 HydrophobicContact CB-CB 3.58Å; R208-Q212 HydrophobicContact CB-CG 4.11Å; R208-Q212 HydrophobicContact CG-CB 4.36Å; R208-Q212 PolarHBondContact NH2-O 3.38Å; R208-F281 WeakPolarHBondContact O-CB 3.17Å; R208-L282 PolarHBondContact O-N 2.76Å; R208-L282 VanDerWaalsContact O-N 3.15Å; R208-L304 HydrophobicContact CB-CD1 3.94Å; R208-L304 HydrophobicContact CG-CD1 3.82Å; R208-R312 PolarHBondContact NH1-O 2.66Å; R208-A314 WeakPolarHBondContact CD-O 3.34Å; R208-A314 PolarHBondContact NH1-O 3.3Å; R208-A316 HydrophobicContact CG-CB 3.92Å
209G94.5Very high95.8Very high1 Ų130.1 Ų30.11%0.0115%0.145CC..  trans-74.2171177.700000114.4L211 Q212G209-L211 PolarHBondContact O-N 2.85Å; G209-Q212 PolarHBondContact O-N 2.95Å; G209-Q212 PolarHBondContact O-OE1 2.87Å
210P94.6Very high95.7Very high3 Ų330.1 Ų30.12%0.01915%0.145CC..G310 helixtrans-60.9-24.7-179.923.7-35.6000114.6Q212 V213 D237 V241 L259 F281P210-Q212 VanDerWaalsContact C-N 3.29Å; P210-V213 WeakPolarHBondContact O-CG1 3.39Å; P210-V213 WeakPolarHBondContact O-CG2 3.41Å; P210-D237 VanDerWaalsContact CG-O 3.3Å; P210-D237 WeakPolarHBondContact CG-O 3.14Å; P210-V241 HydrophobicContact CB-CG2 3.73Å; P210-V241 HydrophobicContact CG-CG2 3.25Å; P210-L259 HydrophobicContact CB-CD1 3.96Å; P210-F281 HydrophobicContact CB-CD1 4.26Å; P210-F281 HydrophobicContact CB-CD2 4.36Å; P210-F281 HydrophobicContact CB-CE1 3.94Å; P210-F281 HydrophobicContact CB-CE2 4.02Å; P210-F281 HydrophobicContact CB-CG 4.45Å; P210-F281 HydrophobicContact CB-CZ 3.79Å
211L92.7Very high95.6Very high5 Ų531 Ų313%0.02615%0.146CC..G310 helixtrans-77.4-16.8176.8-62178.8000112.8G209 V241 L244 L248 A256G209-L211 PolarHBondContact O-N 2.85Å; L211-V241 HydrophobicContact CD2-CG1 4.21Å; L211-V241 HydrophobicContact CD2-CG2 4.12Å; L211-V241 HydrophobicContact CG-CG2 4.27Å; L211-L244 HydrophobicContact CD1-CB 4.25Å; L211-L244 HydrophobicContact CD1-CD1 3.71Å; L211-L248 HydrophobicContact CD1-CD2 4.13Å; L211-L248 HydrophobicContact CD2-CD1 3.66Å; L211-L248 HydrophobicContact CD2-CD2 4.07Å; L211-A256 HydrophobicContact CD2-CB 4.42Å
212Q93.7Very high95.5Very high5 Ų531.3 Ų31.32%0.02315%0.148CC..G310 helixtrans-101.35.8-176.6-70.972.635.300114.2R208 G209 P210 L311 A314R208-Q212 HydrophobicContact CB-CB 3.58Å; R208-Q212 HydrophobicContact CB-CG 4.11Å; R208-Q212 HydrophobicContact CG-CB 4.36Å; R208-Q212 PolarHBondContact NH2-O 3.38Å; G209-Q212 PolarHBondContact O-N 2.95Å; G209-Q212 PolarHBondContact O-OE1 2.87Å; P210-Q212 VanDerWaalsContact C-N 3.29Å; Q212-L311 WeakPolarHBondContact CG-O 3.34Å; Q212-A314 HydrophobicContact CG-CB 3.75Å
213V94.1Very high95.4Very high4 Ų431.3 Ų31.32%0.02415%0.148CC..  trans-58.7145178.5-60.90000111.6P210 F215 R252 L255 F281P210-V213 WeakPolarHBondContact O-CG1 3.39Å; P210-V213 WeakPolarHBondContact O-CG2 3.41Å; V213-F215 HydrophobicContact CB-CD1 3.81Å; V213-F215 HydrophobicContact CB-CD2 4.43Å; V213-F215 HydrophobicContact CB-CE1 3.47Å; V213-F215 VanDerWaalsContact CB-CE1 3.47Å; V213-F215 HydrophobicContact CB-CE2 4.15Å; V213-F215 HydrophobicContact CB-CG 4.27Å; V213-F215 HydrophobicContact CB-CZ 3.65Å; V213-F215 HydrophobicContact CG1-CD1 4.27Å; V213-F215 HydrophobicContact CG1-CE1 3.48Å; V213-F215 VanDerWaalsContact CG1-CE1 3.48Å; V213-F215 HydrophobicContact CG1-CZ 3.64Å; V213-F215 HydrophobicContact CG2-CD1 4.31Å; V213-F215 HydrophobicContact CG2-CD2 4.04Å; V213-F215 HydrophobicContact CG2-CE1 3.93Å; V213-F215 HydrophobicContact CG2-CE2 3.66Å; V213-F215 HydrophobicContact CG2-CG 4.35Å; V213-F215 HydrophobicContact CG2-CZ 3.58Å; V213-R252 PolarHBondContact O-NH1 3.08Å; V213-R252 VanDerWaalsContact O-NH1 3.16Å; V213-R252 PolarHBondContact O-NH2 3.39Å; V213-L255 HydrophobicContact CG2-CD2 3.53Å; V213-L255 HydrophobicContact CG2-CG 4.48Å; V213-F281 HydrophobicContact CG1-CD1 4.41Å; V213-F281 HydrophobicContact CG1-CE1 3.57Å; V213-F281 HydrophobicContact CG1-CZ 4.4Å
214S92.6Very high95.2Very high83 Ų8332.7 Ų32.758%0.5816%0.157SC*.  trans-96.6-13.2178.855.50000113.2Q163 G164Q163-S214 PolarHBondContact O-N 2.71Å; Q163-S214 PolarHBondContact O-OG 3.45Å; G164-S214 VanDerWaalsContact CA-OG 3.27Å; G164-S214 WeakPolarHBondContact CA-OG 3.41Å
215F95.3Very high94.9Very high3 Ų339.8 Ų39.81%0.01319%0.188CC..SBendtrans-67149.5172.259.4-109.5000112.3Q163 N165 L168 V213 L220 L255 L259 L279Q163-F215 HydrophobicContact CB-CD1 3.96Å; Q163-F215 HydrophobicContact CB-CE1 4.07Å; Q163-F215 WeakPolarHBondContact O-CD1 3.32Å; Q163-F215 PolarHBondContact O-N 2.85Å; Q163-F215 VanDerWaalsContact O-N 3.09Å; N165-F215 VanDerWaalsContact OD1-CA 3.22Å; N165-F215 WeakPolarHBondContact OD1-CA 3.44Å; L168-F215 HydrophobicContact CD1-CB 3.86Å; L168-F215 HydrophobicContact CD1-CD1 3.67Å; L168-F215 HydrophobicContact CD1-CG 4.01Å; L168-F215 HydrophobicContact CD2-CB 3.7Å; L168-F215 HydrophobicContact CD2-CD1 4.19Å; L168-F215 HydrophobicContact CD2-CD2 4.23Å; L168-F215 HydrophobicContact CD2-CG 3.82Å; L168-F215 HydrophobicContact CG-CB 4.43Å; V213-F215 HydrophobicContact CB-CD1 3.81Å; V213-F215 HydrophobicContact CB-CD2 4.43Å; V213-F215 HydrophobicContact CB-CE1 3.47Å; V213-F215 VanDerWaalsContact CB-CE1 3.47Å; V213-F215 HydrophobicContact CB-CE2 4.15Å; V213-F215 HydrophobicContact CB-CG 4.27Å; V213-F215 HydrophobicContact CB-CZ 3.65Å; V213-F215 HydrophobicContact CG1-CD1 4.27Å; V213-F215 HydrophobicContact CG1-CE1 3.48Å; V213-F215 VanDerWaalsContact CG1-CE1 3.48Å; V213-F215 HydrophobicContact CG1-CZ 3.64Å; V213-F215 HydrophobicContact CG2-CD1 4.31Å; V213-F215 HydrophobicContact CG2-CD2 4.04Å; V213-F215 HydrophobicContact CG2-CE1 3.93Å; V213-F215 HydrophobicContact CG2-CE2 3.66Å; V213-F215 HydrophobicContact CG2-CG 4.35Å; V213-F215 HydrophobicContact CG2-CZ 3.58Å; F215-L220 HydrophobicContact CD2-CB 3.88Å; F215-L220 HydrophobicContact CE2-CB 3.81Å; F215-L220 HydrophobicContact CE2-CD1 4.27Å; F215-L220 HydrophobicContact CE2-CD2 3.69Å; F215-L220 HydrophobicContact CE2-CG 4.11Å; F215-L220 HydrophobicContact CZ-CD1 4.49Å; F215-L220 HydrophobicContact CZ-CD2 4.28Å; F215-L255 HydrophobicContact CD2-CD1 4.21Å; F215-L255 HydrophobicContact CE2-CD1 3.82Å; F215-L259 HydrophobicContact CZ-CD2 4.32Å; F215-L279 HydrophobicContact CE1-CD1 4.47Å; F215-L279 HydrophobicContact CE1-CD2 4.48Å; F215-L279 HydrophobicContact CZ-CD1 4.22Å
216T93.7Very high94.7Very high39 Ų3940.3 Ų40.324%0.23919%0.191CC..  trans-84.6159.4176.871.30000111.2N165 K218 E219 L220 E382N165-T216 PolarHBondContact OD1-N 3.2Å; T216-K218 PolarHBondContact O-N 3.15Å; T216-E219 PolarHBondContact O-N 3.37Å; T216-L220 PolarHBondContact O-N 3.34Å; T216-L220 VanDerWaalsContact O-N 3.17Å; T216-E382 WeakPolarHBondContact CG2-OE1 3.21Å; T216-E382 PolarHBondContact OG1-OE1 3.36Å
217T94.9Very high94.4Very high32 Ų3245.3 Ų45.320%0.19622%0.216CC..Hα-helixtrans-60.8-29.7175.9-47.40000112.1R221 L255 L258T217-R221 VanDerWaalsContact O-CB 3.27Å; T217-R221 WeakPolarHBondContact O-CB 3.41Å; T217-R221 PolarHBondContact O-N 3.15Å; T217-R221 VanDerWaalsContact O-N 3.1Å; T217-L255 HydrophobicContact CG2-CD1 4.48Å; T217-L258 HydrophobicContact CG2-CD2 3.85Å
218K93.8Very high94.1Very high88 Ų8840.8 Ų40.838%0.38320%0.203SC..Hα-helixtrans-62.2-54.7176178.2-178.5168.3-78.50110.3T216 L220 R221 E222T216-K218 PolarHBondContact O-N 3.15Å; K218-L220 PolarHBondContact O-N 3.36Å; K218-R221 WeakPolarHBondContact O-CB 3.29Å; K218-R221 PolarHBondContact O-N 3.19Å; K218-R221 VanDerWaalsContact O-N 3.12Å; K218-E222 WeakPolarHBondContact CE-OE1 3.34Å; K218-E222 IonicContact NZ-OE1 2.86Å; K218-E222 PolarHBondContact NZ-OE1 2.92Å; K218-E222 PolarHBondContact O-N 3.17Å
219E95.4Very high94.1Very high9 Ų938.8 Ų38.84%0.04220%0.197CC..Hα-helixtrans-66-39.5-175.5-61.3-49137.800112.7H62 N165 L168 R172 T216 R221 E222 L223H62-E219 IonicContact CE1-OE1 2.61Å; H62-E219 IonicContact CE1-OE2 3.61Å; H62-E219 PolarHBondContact CE1-OE2 2.91Å; H62-E219 IonicContact NE2-OE2 2.64Å; N165-E219 HydrophobicContact CB-CG 3.97Å; N165-E219 VanDerWaalsContact CG-CG 3.48Å; N165-E219 WeakPolarHBondContact OD1-CG 3.4Å; L168-E219 HydrophobicContact CD2-CB 3.98Å; R172-E219 IonicContact NH1-OE2 3.46Å; T216-E219 PolarHBondContact O-N 3.37Å; E219-R221 VanDerWaalsContact C-N 3.33Å; E219-R221 PolarHBondContact O-N 3.4Å; E219-E222 PolarHBondContact O-N 3.3Å; E219-L223 PolarHBondContact O-N 3.26Å; E219-L223 VanDerWaalsContact O-N 3.15Å
220L96.9Very high94.1Very high0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-60.8-44.2172.5178.663000111.2L168 F215 T216 K218 E222 L223 T224 L255 L258 L259 W277 L279L168-L220 HydrophobicContact CD2-CB 4.32Å; F215-L220 HydrophobicContact CD2-CB 3.88Å; F215-L220 HydrophobicContact CE2-CB 3.81Å; F215-L220 HydrophobicContact CE2-CD1 4.27Å; F215-L220 HydrophobicContact CE2-CD2 3.69Å; F215-L220 HydrophobicContact CE2-CG 4.11Å; F215-L220 HydrophobicContact CZ-CD1 4.49Å; F215-L220 HydrophobicContact CZ-CD2 4.28Å; T216-L220 PolarHBondContact O-N 3.34Å; T216-L220 VanDerWaalsContact O-N 3.17Å; K218-L220 PolarHBondContact O-N 3.36Å; L220-E222 VanDerWaalsContact C-N 3.31Å; L220-E222 PolarHBondContact O-N 3.48Å; L220-L223 WeakPolarHBondContact O-CB 3.42Å; L220-L223 PolarHBondContact O-N 2.73Å; L220-L223 VanDerWaalsContact O-N 3.15Å; L220-T224 WeakPolarHBondContact O-CG2 3.4Å; L220-T224 PolarHBondContact O-N 2.95Å; L220-T224 VanDerWaalsContact O-N 3.09Å; L220-L255 HydrophobicContact CD2-CD1 4.11Å; L220-L258 HydrophobicContact CB-CD2 4.02Å; L220-L258 HydrophobicContact CD2-CB 4.4Å; L220-L258 HydrophobicContact CD2-CD2 3.76Å; L220-L258 HydrophobicContact CD2-CG 3.84Å; L220-L258 HydrophobicContact CG-CD2 3.81Å; L220-L258 HydrophobicContact CG-CG 4.21Å; L220-L259 HydrophobicContact CD2-CD2 3.68Å; L220-L259 HydrophobicContact CD2-CG 3.92Å; L220-W277 HydrophobicContact CD1-CH2 3.76Å; L220-W277 HydrophobicContact CD1-CZ3 4.34Å; L220-L279 HydrophobicContact CD1-CD1 4.31Å
221R95.9Very high94.1Very high113 Ų11339.1 Ų39.143%0.42620%0.198SC..Hα-helixtrans-63.1-38.8-179.2-171.7-179.1-62.5119.9-0.8111.7T217 K218 E219 L223 T224 K225 L258T217-R221 VanDerWaalsContact O-CB 3.27Å; T217-R221 WeakPolarHBondContact O-CB 3.41Å; T217-R221 PolarHBondContact O-N 3.15Å; T217-R221 VanDerWaalsContact O-N 3.1Å; K218-R221 WeakPolarHBondContact O-CB 3.29Å; K218-R221 PolarHBondContact O-N 3.19Å; K218-R221 VanDerWaalsContact O-N 3.12Å; E219-R221 VanDerWaalsContact C-N 3.33Å; E219-R221 PolarHBondContact O-N 3.4Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-T224 PolarHBondContact O-N 3.12Å; R221-T224 PolarHBondContact O-OG1 3Å; R221-K225 WeakPolarHBondContact O-CG 3.43Å; R221-K225 PolarHBondContact O-N 3.39Å; R221-L258 HydrophobicContact CB-CD2 3.86Å
222E95.4Very high94.2Very high52 Ų5240.3 Ų40.324%0.24320%0.204CC..Hα-helixtrans-62.1-41.3174.9-70.3-179.7-159.500111.6H62 K218 E219 L220 T224 K225H62-E222 IonicContact CD2-OE2 4Å; H62-E222 IonicContact CE1-OE2 2.8Å; H62-E222 IonicContact NE2-OE2 3.13Å; H62-E222 PolarHBondContact NE2-OE2 3.13Å; K218-E222 WeakPolarHBondContact CE-OE1 3.34Å; K218-E222 IonicContact NZ-OE1 2.86Å; K218-E222 PolarHBondContact NZ-OE1 2.92Å; K218-E222 PolarHBondContact O-N 3.17Å; E219-E222 PolarHBondContact O-N 3.3Å; L220-E222 VanDerWaalsContact C-N 3.31Å; L220-E222 PolarHBondContact O-N 3.48Å; E222-T224 VanDerWaalsContact C-N 3.3Å; E222-T224 PolarHBondContact O-N 3.46Å; E222-K225 WeakPolarHBondContact O-CB 3.3Å; E222-K225 PolarHBondContact O-N 3.04Å; E222-K225 VanDerWaalsContact O-N 3.08Å
223L96.1Very high94.2Very high0 Ų040.7 Ų40.70%021%0.207CC..Hα-helixtrans-63.5-34176.5-163.971.1000112.8L168 A171 R172 E219 L220 R221 K225 L226 W277L168-L223 HydrophobicContact CG-CD2 4.32Å; A171-L223 HydrophobicContact CB-CD1 4.39Å; R172-L223 HydrophobicContact CB-CD1 3.87Å; R172-L223 HydrophobicContact CG-CD1 4.45Å; E219-L223 PolarHBondContact O-N 3.26Å; E219-L223 VanDerWaalsContact O-N 3.15Å; L220-L223 WeakPolarHBondContact O-CB 3.42Å; L220-L223 PolarHBondContact O-N 2.73Å; L220-L223 VanDerWaalsContact O-N 3.15Å; R221-L223 VanDerWaalsContact C-N 3.32Å; L223-K225 PolarHBondContact O-N 3.22Å; L223-L226 HydrophobicContact CD1-CD1 3.64Å; L223-L226 HydrophobicContact CG-CD1 4.38Å; L223-L226 PolarHBondContact O-N 3.1Å; L223-W277 HydrophobicContact CB-CZ2 4.23Å; L223-W277 HydrophobicContact CD2-CD2 3.61Å; L223-W277 HydrophobicContact CD2-CE3 3.89Å; L223-W277 HydrophobicContact CD2-CG 4.01Å; L223-W277 HydrophobicContact CD2-CH2 4.11Å; L223-W277 HydrophobicContact CD2-CZ2 3.85Å; L223-W277 HydrophobicContact CD2-CZ3 4.16Å; L223-W277 HydrophobicContact CG-CD2 4.05Å; L223-W277 HydrophobicContact CG-CG 4.24Å; L223-W277 HydrophobicContact CG-CZ2 3.89Å; L223-W277 PolarHBondContact O-NE1 3.45Å
224T94.3Very high94Very high34 Ų3442.8 Ų42.821%0.20922%0.215CC..Hα-helixtrans-69.4-15.2175.364.80000114L220 R221 E222 T262 W277L220-T224 WeakPolarHBondContact O-CG2 3.4Å; L220-T224 PolarHBondContact O-N 2.95Å; L220-T224 VanDerWaalsContact O-N 3.09Å; R221-T224 PolarHBondContact O-N 3.12Å; R221-T224 PolarHBondContact O-OG1 3Å; E222-T224 VanDerWaalsContact C-N 3.3Å; E222-T224 PolarHBondContact O-N 3.46Å; T224-T262 HydrophobicContact CG2-CG2 3.88Å; T224-T262 WeakPolarHBondContact CG2-OG1 3.42Å; T224-W277 HydrophobicContact CG2-CH2 4.22Å; T224-W277 HydrophobicContact CG2-CZ2 3.89Å
225K92.9Very high93.8Very high149 Ų14944.2 Ų44.265%0.64821%0.212SC*.THydrogen-bonded Turntrans-94.32.4-179.6-68.2175.6174.5-173.40113.5R221 E222 L223 N227R221-K225 WeakPolarHBondContact O-CG 3.43Å; R221-K225 PolarHBondContact O-N 3.39Å; E222-K225 WeakPolarHBondContact O-CB 3.3Å; E222-K225 PolarHBondContact O-N 3.04Å; E222-K225 VanDerWaalsContact O-N 3.08Å; L223-K225 PolarHBondContact O-N 3.22Å; K225-N227 PolarHBondContact O-N 2.93Å
226L93.7Very high93.5Very high17 Ų1749.2 Ų49.29%0.08924%0.236CC..  trans-60.9129.8176.6-76.3177.1000110.4R172 L175 K176 L223 T229R172-L226 HydrophobicContact CG-CD1 4.4Å; R172-L226 HydrophobicContact CG-CD2 3.81Å; R172-L226 HydrophobicContact CG-CG 4.38Å; L175-L226 HydrophobicContact CB-CD1 3.7Å; L175-L226 HydrophobicContact CD1-CD1 3.99Å; K176-L226 HydrophobicContact CG-CD2 4.25Å; L223-L226 HydrophobicContact CD1-CD1 3.64Å; L223-L226 HydrophobicContact CG-CD1 4.38Å; L223-L226 PolarHBondContact O-N 3.1Å; L226-T229 HydrophobicContact CB-CG2 4.35Å; L226-T229 HydrophobicContact CD1-CG2 4.33Å
227N90.6Very high93.3Very high111 Ų11148.4 Ų48.459%0.59423%0.23SC*.THydrogen-bonded Turntrans-63.2144.7174.9-65.2-43.6000110.3K225 T229K225-N227 PolarHBondContact O-N 2.93Å; N227-T229 PolarHBondContact O-N 3.17Å; N227-T229 PolarHBondContact O-OG1 2.87Å
228D90.7Very high93.2Very high56 Ų5647 Ų4730%0.29922%0.221SC..THydrogen-bonded Turntrans5236.9169.6-174.229.5000113.4T273 R274 K275D228-T273 VanDerWaalsContact OD1-CA 3.22Å; D228-T273 WeakPolarHBondContact OD1-CA 3.48Å; D228-R274 PolarHBondContact OD1-N 3.03Å; D228-R274 WeakPolarHBondContact OD2-CB 3.16Å; D228-R274 WeakPolarHBondContact OD2-CG 3.31Å; D228-R274 IonicContact OD2-CZ 3.8Å; D228-R274 IonicContact OD2-NE 3.73Å; D228-R274 PolarHBondContact OD2-NE 3.04Å; D228-R274 IonicContact OD2-NH2 3.01Å; D228-R274 PolarHBondContact OD2-NH2 2.81Å; D228-K275 PolarHBondContact O-N 2.97Å
229T94Very high93.1Very high11 Ų1149.5 Ų49.57%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-136.8124.3-176.5-56.50000110.5L175 L226 N227 K275 W277L175-T229 HydrophobicContact CD1-CG2 4.35Å; L226-T229 HydrophobicContact CB-CG2 4.35Å; L226-T229 HydrophobicContact CD1-CG2 4.33Å; N227-T229 PolarHBondContact O-N 3.17Å; N227-T229 PolarHBondContact O-OG1 2.87Å; T229-K275 CarbonylContact C-O 3.52Å; T229-K275 VanDerWaalsContact CA-O 3.28Å; T229-K275 WeakPolarHBondContact CA-O 3.47Å; T229-K275 HydrophobicContact CG2-CB 4.28Å; T229-W277 VanDerWaalsContact CG2-CD1 3.47Å
230T94.6Very high92.7Very high6 Ų652.1 Ų52.14%0.03724%0.244CC..EExtended strand (participates in β ladder)trans-94.9126.7177.9-65.10000111.6N266 M269 T273 K275 Q276 W277T230-N266 HydrophobicContact CG2-CB 3.84Å; T230-N266 WeakPolarHBondContact CG2-OD1 3.47Å; T230-M269 HydrophobicContact CG2-SD 4.22Å; T230-M269 PolarHBondContact OG1-SD 2.99Å; T230-M269 VanDerWaalsContact OG1-SD 3.39Å; T230-T273 WeakPolarHBondContact CB-OG1 3.37Å; T230-T273 PolarHBondContact N-OG1 3.03Å; T230-T273 VanDerWaalsContact OG1-CG2 3.24Å; T230-T273 WeakPolarHBondContact OG1-CG2 3.41Å; T230-T273 PolarHBondContact OG1-OG1 3.46Å; T230-K275 PolarHBondContact N-O 2.97Å; T230-Q276 VanDerWaalsContact O-CA 3.26Å; T230-Q276 WeakPolarHBondContact O-CA 3.48Å; T230-W277 PolarHBondContact O-N 3.28Å
231P95.2Very high92.4Very high4 Ų452.1 Ų52.13%0.02624%0.244CC..EExtended strand (participates in β ladder)trans-77.1138.6169.933.1-35.4000111.6T262 L265 W277P231-T262 HydrophobicContact CB-CG2 3.46Å; P231-T262 VanDerWaalsContact CB-CG2 3.46Å; P231-T262 HydrophobicContact CG-CG2 3.79Å; P231-L265 HydrophobicContact CG-CB 3.9Å; P231-L265 HydrophobicContact CG-CD1 4.07Å; P231-W277 CarbonylContact C-O 3.56Å; P231-W277 HydrophobicContact CB-CD2 4.07Å; P231-W277 HydrophobicContact CB-CE3 4.29Å; P231-W277 HydrophobicContact CB-CH2 3.67Å; P231-W277 HydrophobicContact CB-CZ2 3.39Å; P231-W277 HydrophobicContact CB-CZ3 4.08Å
232I94.5Very high92.3Very high30 Ų3052.4 Ų52.415%0.15425%0.25CS..EExtended strand (participates in β ladder)trans-123.9122.5176.8-57.3177000108.8Q276 W277 E278 L279I232-Q276 HydrophobicContact CD1-CB 4.16Å; I232-Q276 HydrophobicContact CD1-CG 4.26Å; I232-W277 PolarHBondContact N-O 3.13Å; I232-E278 HydrophobicContact CB-CB 4.04Å; I232-E278 HydrophobicContact CB-CG 4Å; I232-E278 HydrophobicContact CG2-CB 4.42Å; I232-E278 HydrophobicContact CG2-CG 3.86Å; I232-E278 CarbonylContact O-C 3.32Å; I232-E278 VanDerWaalsContact O-CA 3.25Å; I232-E278 WeakPolarHBondContact O-CA 3.44Å; I232-L279 PolarHBondContact O-N 2.85Å
233V93.2Very high92.1Very high13 Ų1353.8 Ų53.88%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-134.7128.5171.1-172.70000107.1L238 L279 F281V233-L238 HydrophobicContact CB-CD1 4.28Å; V233-L238 HydrophobicContact CG1-CD1 3.79Å; V233-L238 HydrophobicContact CG1-CD2 3.99Å; V233-L238 HydrophobicContact CG1-CG 3.85Å; V233-L279 HydrophobicContact CG2-CB 4.38Å; V233-L279 HydrophobicContact CG2-CD1 4.28Å; V233-F281 HydrophobicContact CG1-CE2 4.03Å
234R89.9Confident91.8Very high48 Ų4854.8 Ų54.818%0.18127%0.271CS..  trans-64.5138.5180-75.1176.8-177.7-175.7-2.6110.6E236 D237 E278 E323R234-E236 VanDerWaalsContact C-N 3.35Å; R234-E236 HydrophobicContact CB-CG 4.2Å; R234-E236 WeakPolarHBondContact CB-OE2 3.39Å; R234-E236 WeakPolarHBondContact CD-OE1 3.37Å; R234-D237 HydrophobicContact CB-CB 4.27Å; R234-D237 PolarHBondContact O-N 3.08Å; R234-E278 IonicContact NE-OE1 2.75Å; R234-E323 IonicContact CZ-OE1 2.75Å; R234-E323 IonicContact CZ-OE2 3.69Å; R234-E323 IonicContact NH1-OE1 3.79Å; R234-E323 IonicContact NH1-OE2 3.6Å; R234-E323 PolarHBondContact NH1-OE2 2.83Å; R234-E323 IonicContact NH2-OE1 2.69Å; R234-E323 PolarHBondContact NH2-OE1 2.95Å; R234-E323 IonicContact NH2-OE2 3.28Å
235E88Confident91.6Very high114 Ų11455.7 Ų55.753%0.53327%0.271SS..Hα-helixtrans-69.2-37.8-178.8-67.4-178.3-169.800111.4D237 L238 K239 R267E235-D237 PolarHBondContact O-N 3.44Å; E235-L238 PolarHBondContact O-N 2.84Å; E235-K239 PolarHBondContact O-N 3.39Å; E235-R267 IonicContact OE1-CZ 3.93Å; E235-R267 IonicContact OE1-NE 3.56Å; E235-R267 IonicContact OE1-NH2 2.73Å; E235-R267 PolarHBondContact OE1-NH2 3.44Å; E235-R267 IonicContact OE2-NH2 3Å
236E90.2Very high91.5Very high108 Ų10854.1 Ų54.151%0.50527%0.274SS..Hα-helixtrans-58.8-34.1176.562.8-90.4-147.300112.7R234 L238R234-E236 VanDerWaalsContact C-N 3.35Å; R234-E236 HydrophobicContact CB-CG 4.2Å; R234-E236 WeakPolarHBondContact CB-OE2 3.39Å; R234-E236 WeakPolarHBondContact CD-OE1 3.37Å; E236-L238 VanDerWaalsContact C-N 3.26Å; E236-L238 PolarHBondContact O-N 2.79Å
237D89.9Confident91.3Very high21 Ų2159 Ų5911%0.11230%0.3CS..Hα-helixtrans-71.6-24.6178-69.4-22000111.4P210 R234 E235 F281P210-D237 VanDerWaalsContact CG-O 3.3Å; P210-D237 WeakPolarHBondContact CG-O 3.14Å; R234-D237 HydrophobicContact CB-CB 4.27Å; R234-D237 PolarHBondContact O-N 3.08Å; E235-D237 PolarHBondContact O-N 3.44Å; D237-F281 HydrophobicContact CB-CB 4.47Å; D237-F281 HydrophobicContact CB-CD2 3.67Å; D237-F281 HydrophobicContact CB-CE2 4.43Å; D237-F281 HydrophobicContact CB-CG 4.49Å; D237-F281 WeakPolarHBondContact OD2-CD2 3.32Å
238L92Very high91.3Very high2 Ų254.5 Ų54.51%0.0128%0.275CS..Hα-helixtrans-94.1-14.1-175.8-66.3178.3000114.5V233 E235 E236 E240 V241 E242 L259 L260 S263V233-L238 HydrophobicContact CB-CD1 4.28Å; V233-L238 HydrophobicContact CG1-CD1 3.79Å; V233-L238 HydrophobicContact CG1-CD2 3.99Å; V233-L238 HydrophobicContact CG1-CG 3.85Å; E235-L238 PolarHBondContact O-N 2.84Å; E236-L238 VanDerWaalsContact C-N 3.26Å; E236-L238 PolarHBondContact O-N 2.79Å; L238-E240 PolarHBondContact O-N 2.87Å; L238-V241 HydrophobicContact CD2-CB 4.4Å; L238-V241 HydrophobicContact CD2-CG2 3.96Å; L238-V241 WeakPolarHBondContact O-CA 3.45Å; L238-V241 VanDerWaalsContact O-CB 3.31Å; L238-V241 WeakPolarHBondContact O-CB 3.42Å; L238-V241 PolarHBondContact O-N 2.76Å; L238-E242 PolarHBondContact O-N 3.24Å; L238-L259 HydrophobicContact CD2-CB 4.21Å; L238-L260 HydrophobicContact CB-CD2 4.11Å; L238-L260 HydrophobicContact CD1-CD2 4.35Å; L238-L260 HydrophobicContact CD2-CD2 4.44Å; L238-S263 VanDerWaalsContact CD1-OG 3.3Å; L238-S263 WeakPolarHBondContact CD1-OG 3.45Å
239K91.5Very high91.2Very high141 Ų14155.8 Ų55.861%0.61329%0.287SS*.Hα-helixtrans-52.6-40.1178.1-70.4-179.5179.71780112.8E235 S243E235-K239 PolarHBondContact O-N 3.39Å; K239-S243 PolarHBondContact O-N 3.37Å; K239-S243 VanDerWaalsContact O-N 3.13Å
240E87Confident91Very high64 Ų6465.4 Ų65.430%0.29932%0.322SS..Hα-helixtrans-70.4-36176.5-178.6179.3-122.100112.4L238 E242 S243 L244 Q306L238-E240 PolarHBondContact O-N 2.87Å; E240-E242 VanDerWaalsContact C-N 3.3Å; E240-E242 PolarHBondContact O-N 3.48Å; E240-S243 PolarHBondContact O-N 3.26Å; E240-S243 PolarHBondContact O-OG 2.73Å; E240-L244 HydrophobicContact CG-CD1 3.68Å; E240-L244 HydrophobicContact CG-CG 4.3Å; E240-L244 WeakPolarHBondContact O-CB 3.37Å; E240-L244 WeakPolarHBondContact O-CG 3.28Å; E240-L244 PolarHBondContact O-N 3.22Å; E240-Q306 PolarHBondContact OE1-NE2 2.71Å
241V91.4Very high90.6Very high0 Ų068.6 Ų68.60%035%0.349CS..Hα-helixtrans-62.5-42.7176.3-177.80000110.2P210 L211 L238 Y245 A256 L260P210-V241 HydrophobicContact CB-CG2 3.73Å; P210-V241 HydrophobicContact CG-CG2 3.25Å; L211-V241 HydrophobicContact CD2-CG1 4.21Å; L211-V241 HydrophobicContact CD2-CG2 4.12Å; L211-V241 HydrophobicContact CG-CG2 4.27Å; L238-V241 HydrophobicContact CD2-CB 4.4Å; L238-V241 HydrophobicContact CD2-CG2 3.96Å; L238-V241 WeakPolarHBondContact O-CA 3.45Å; L238-V241 VanDerWaalsContact O-CB 3.31Å; L238-V241 WeakPolarHBondContact O-CB 3.42Å; L238-V241 PolarHBondContact O-N 2.76Å; V241-Y245 WeakPolarHBondContact O-CA 3.42Å; V241-Y245 VanDerWaalsContact O-CB 3.3Å; V241-Y245 WeakPolarHBondContact O-CB 3.35Å; V241-Y245 PolarHBondContact O-N 2.83Å; V241-A256 HydrophobicContact CG1-CB 3.54Å; V241-L260 HydrophobicContact CB-CD2 4.32Å; V241-L260 HydrophobicContact CG1-CD1 4.21Å; V241-L260 HydrophobicContact CG1-CD2 4.15Å; V241-L260 HydrophobicContact CG1-CG 4.06Å
242E92.9Very high90.4Very high119 Ų11971.3 Ų71.356%0.55636%0.359SS*.Hα-helixtrans-63.6-46.3177.3-66.2177.5171.900111.6L238 E240 L244 Y245 L260L238-E242 PolarHBondContact O-N 3.24Å; E240-E242 VanDerWaalsContact C-N 3.3Å; E240-E242 PolarHBondContact O-N 3.48Å; E242-L244 PolarHBondContact O-N 3.02Å; E242-Y245 PolarHBondContact O-N 3.39Å; E242-L260 HydrophobicContact CG-CD1 4.35Å; E242-L260 HydrophobicContact CG-CD2 3.53Å
243S90.9Very high90.3Very high81 Ų8172.7 Ų72.757%0.56637%0.365SS*.Hα-helixtrans-67.7-34.5-177.469.80000113.2K239 E240K239-S243 PolarHBondContact O-N 3.37Å; K239-S243 VanDerWaalsContact O-N 3.13Å; E240-S243 PolarHBondContact O-N 3.26Å; E240-S243 PolarHBondContact O-OG 2.73Å
244L90.3Very high90.3Very high21 Ų2181 Ų8111%0.1140%0.395CS..Hα-helixtrans-94.7-7.6-178.1-62.5177.9000113.7L211 E240 E242 T246 L247 L248 L308L211-L244 HydrophobicContact CD1-CB 4.25Å; L211-L244 HydrophobicContact CD1-CD1 3.71Å; E240-L244 HydrophobicContact CG-CD1 3.68Å; E240-L244 HydrophobicContact CG-CG 4.3Å; E240-L244 WeakPolarHBondContact O-CB 3.37Å; E240-L244 WeakPolarHBondContact O-CG 3.28Å; E240-L244 PolarHBondContact O-N 3.22Å; E242-L244 PolarHBondContact O-N 3.02Å; L244-T246 VanDerWaalsContact C-N 3.29Å; L244-T246 PolarHBondContact O-N 3.48Å; L244-T246 VanDerWaalsContact O-N 3.11Å; L244-L247 HydrophobicContact CD2-CD1 4.22Å; L244-L247 WeakPolarHBondContact O-CB 3.42Å; L244-L247 PolarHBondContact O-N 2.71Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 2.69Å; L244-L308 HydrophobicContact CD1-CD2 3.45Å; L244-L308 VanDerWaalsContact CD1-CD2 3.45Å; L244-L308 HydrophobicContact CD2-CD1 3.92Å; L244-L308 HydrophobicContact CD2-CD2 3.59Å; L244-L308 HydrophobicContact CD2-CG 4.43Å; L244-L308 HydrophobicContact CG-CD2 4.1Å
245Y91.3Very high90.5Very high54 Ų5479 Ų7921%0.21239%0.387CS..G310 helixtrans-48.3-46.4-168.8-179-96000114.2V241 E242 L247 L248 Q253 A256 Q257 L260V241-Y245 WeakPolarHBondContact O-CA 3.42Å; V241-Y245 VanDerWaalsContact O-CB 3.3Å; V241-Y245 WeakPolarHBondContact O-CB 3.35Å; V241-Y245 PolarHBondContact O-N 2.83Å; E242-Y245 PolarHBondContact O-N 3.39Å; Y245-L247 VanDerWaalsContact C-N 3.27Å; Y245-L247 PolarHBondContact O-N 2.75Å; Y245-L248 PolarHBondContact O-N 2.75Å; Y245-Q253 HydrophobicContact CD1-CG 4.37Å; Y245-Q253 HydrophobicContact CD2-CG 4.27Å; Y245-Q253 HydrophobicContact CE1-CG 3.81Å; Y245-Q253 HydrophobicContact CE2-CG 3.7Å; Y245-Q253 VanDerWaalsContact CZ-CG 3.45Å; Y245-A256 HydrophobicContact CD2-CB 3.99Å; Y245-A256 HydrophobicContact CE2-CB 4.25Å; Y245-Q257 HydrophobicContact CE2-CB 4Å; Y245-Q257 VanDerWaalsContact CZ-OE1 3.31Å; Y245-Q257 PolarHBondContact OH-OE1 2.94Å; Y245-L260 HydrophobicContact CD2-CD1 4.09Å; Y245-L260 HydrophobicContact CE2-CD1 4.42Å
246T90.7Very high90.8Very high116 Ų11673.6 Ų73.671%0.71236%0.362SS*.G310 helixtrans-73.7-17-176.654.80000113.5L244L244-T246 VanDerWaalsContact C-N 3.29Å; L244-T246 PolarHBondContact O-N 3.48Å; L244-T246 VanDerWaalsContact O-N 3.11Å
247L89.5Confident91.1Very high120 Ų12072.1 Ų72.163%0.62836%0.356SS*.G310 helixtrans-92.4-9.2178.7-56.3177.2000112.5L244 Y245 L308L244-L247 HydrophobicContact CD2-CD1 4.22Å; L244-L247 WeakPolarHBondContact O-CB 3.42Å; L244-L247 PolarHBondContact O-N 2.71Å; Y245-L247 VanDerWaalsContact C-N 3.27Å; Y245-L247 PolarHBondContact O-N 2.75Å; L247-L308 HydrophobicContact CD1-CD1 4.35Å
248L89Confident91.3Very high16 Ų1672.4 Ų72.48%0.08436%0.357CS..SBendtrans-74.6142.9-176.4-62.3176.7000112.1L211 L244 Y245 R252 Q253 A256 L311L211-L248 HydrophobicContact CD1-CD2 4.13Å; L211-L248 HydrophobicContact CD2-CD1 3.66Å; L211-L248 HydrophobicContact CD2-CD2 4.07Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 2.69Å; Y245-L248 PolarHBondContact O-N 2.75Å; L248-R252 HydrophobicContact CB-CB 4.27Å; L248-Q253 HydrophobicContact CB-CB 4.28Å; L248-A256 HydrophobicContact CD1-CB 3.63Å; L248-L311 HydrophobicContact CD2-CD1 3.68Å
249P88.9Confident91.4Very high83 Ų8372.3 Ų72.354%0.53936%0.356SS..  trans-56.4145.1165.4-23.433.2000111.3A251 R252 Q253P249-A251 PolarHBondContact O-N 2.66Å; P249-R252 WeakPolarHBondContact O-CA 3.43Å; P249-R252 PolarHBondContact O-N 2.86Å; P249-Q253 PolarHBondContact O-N 2.81Å
250R89.5Confident91.5Very high212 Ų21266.4 Ų66.480%0.833%0.331SS*.Hα-helixtrans-45.7-43.6-174.6-68.9-175-176.9-179.81.2114.5R252 Q253 R254R250-R252 PolarHBondContact O-N 3.42Å; R250-Q253 PolarHBondContact O-N 2.94Å; R250-R254 PolarHBondContact O-N 3.36Å; R250-R254 VanDerWaalsContact O-N 3.13Å
251A86.9Confident91.8Very high74 Ų7466.1 Ų66.161%0.61233%0.334SS*.Hα-helixtrans-63.6-39.5179.800000112.5P249P249-A251 PolarHBondContact O-N 2.66Å
252R90.5Very high91.8Very high60 Ų6066.2 Ų66.223%0.22633%0.334CS..Hα-helixtrans-76.2-33.9175.3-78.7-59.4-167.3-168.46.5112.4V213 L248 P249 R250 R254 L255 A256V213-R252 PolarHBondContact O-NH1 3.08Å; V213-R252 VanDerWaalsContact O-NH1 3.16Å; V213-R252 PolarHBondContact O-NH2 3.39Å; L248-R252 HydrophobicContact CB-CB 4.27Å; P249-R252 WeakPolarHBondContact O-CA 3.43Å; P249-R252 PolarHBondContact O-N 2.86Å; R250-R252 PolarHBondContact O-N 3.42Å; R252-R254 VanDerWaalsContact C-N 3.33Å; R252-R254 PolarHBondContact O-N 2.94Å; R252-L255 WeakPolarHBondContact O-CB 3.43Å; R252-L255 PolarHBondContact O-N 3.47Å; R252-L255 VanDerWaalsContact O-N 3.15Å; R252-A256 WeakPolarHBondContact O-CB 3.43Å; R252-A256 PolarHBondContact O-N 3.1Å
253Q92.6Very high91.6Very high60 Ų6061.4 Ų61.428%0.2831%0.314SS..Hα-helixtrans-58.5-42.8174.3-167.3-179.429.500112.1Y245 L248 P249 R250 L255 A256 Q257Y245-Q253 HydrophobicContact CD1-CG 4.37Å; Y245-Q253 HydrophobicContact CD2-CG 4.27Å; Y245-Q253 HydrophobicContact CE1-CG 3.81Å; Y245-Q253 HydrophobicContact CE2-CG 3.7Å; Y245-Q253 VanDerWaalsContact CZ-CG 3.45Å; L248-Q253 HydrophobicContact CB-CB 4.28Å; P249-Q253 PolarHBondContact O-N 2.81Å; R250-Q253 PolarHBondContact O-N 2.94Å; Q253-L255 VanDerWaalsContact C-N 3.3Å; Q253-L255 PolarHBondContact O-N 3.4Å; Q253-A256 PolarHBondContact O-N 2.97Å; Q253-Q257 WeakPolarHBondContact O-CB 3.31Å; Q253-Q257 PolarHBondContact O-N 2.93Å
254R93.9Very high91.4Very high188 Ų18862.5 Ų62.571%0.70931%0.31SS*.Hα-helixtrans-60.4-38.1175.5-72.6177.1177.2177.3-1.6113.2R250 R252 L258R250-R254 PolarHBondContact O-N 3.36Å; R250-R254 VanDerWaalsContact O-N 3.13Å; R252-R254 VanDerWaalsContact C-N 3.33Å; R252-R254 PolarHBondContact O-N 2.94Å; R254-L258 PolarHBondContact O-N 3.43Å
255L93.8Very high91Very high4 Ų464.4 Ų64.42%0.02132%0.32CS..Hα-helixtrans-71.8-45.9177.7-179.565.2000111.6V213 F215 T217 L220 R252 Q253 Q257 L258 L259V213-L255 HydrophobicContact CG2-CD2 3.53Å; V213-L255 HydrophobicContact CG2-CG 4.48Å; F215-L255 HydrophobicContact CD2-CD1 4.21Å; F215-L255 HydrophobicContact CE2-CD1 3.82Å; T217-L255 HydrophobicContact CG2-CD1 4.48Å; L220-L255 HydrophobicContact CD2-CD1 4.11Å; R252-L255 WeakPolarHBondContact O-CB 3.43Å; R252-L255 PolarHBondContact O-N 3.47Å; R252-L255 VanDerWaalsContact O-N 3.15Å; Q253-L255 VanDerWaalsContact C-N 3.3Å; Q253-L255 PolarHBondContact O-N 3.4Å; L255-Q257 VanDerWaalsContact C-N 3.3Å; L255-Q257 PolarHBondContact O-N 3.49Å; L255-L258 PolarHBondContact O-N 3.1Å; L255-L258 VanDerWaalsContact O-N 3.15Å; L255-L259 PolarHBondContact O-N 2.99Å
256A94.2Very high90.2Very high2 Ų265.3 Ų65.32%0.01733%0.329CS..Hα-helixtrans-56.1-46.5174.600000111L211 V241 Y245 L248 R252 Q253 L258 L259 L260L211-A256 HydrophobicContact CD2-CB 4.42Å; V241-A256 HydrophobicContact CG1-CB 3.54Å; Y245-A256 HydrophobicContact CD2-CB 3.99Å; Y245-A256 HydrophobicContact CE2-CB 4.25Å; L248-A256 HydrophobicContact CD1-CB 3.63Å; R252-A256 WeakPolarHBondContact O-CB 3.43Å; R252-A256 PolarHBondContact O-N 3.1Å; Q253-A256 PolarHBondContact O-N 2.97Å; A256-L258 VanDerWaalsContact C-N 3.31Å; A256-L258 PolarHBondContact O-N 3.06Å; A256-L259 WeakPolarHBondContact O-CB 3.27Å; A256-L259 PolarHBondContact O-N 2.9Å; A256-L259 VanDerWaalsContact O-N 3.15Å; A256-L260 WeakPolarHBondContact O-CG 3.36Å; A256-L260 PolarHBondContact O-N 3.43Å
257Q95.5Very high89.2Confident77 Ų7767.8 Ų67.836%0.3633%0.325SS..Hα-helixtrans-57.3-45.4175.7-175.259.655.100111.8Y245 Q253 L255 L259 L260 T261Y245-Q257 HydrophobicContact CE2-CB 4Å; Y245-Q257 VanDerWaalsContact CZ-OE1 3.31Å; Y245-Q257 PolarHBondContact OH-OE1 2.94Å; Q253-Q257 WeakPolarHBondContact O-CB 3.31Å; Q253-Q257 PolarHBondContact O-N 2.93Å; L255-Q257 VanDerWaalsContact C-N 3.3Å; L255-Q257 PolarHBondContact O-N 3.49Å; Q257-L259 VanDerWaalsContact C-N 3.32Å; Q257-L259 PolarHBondContact O-N 3.02Å; Q257-L260 PolarHBondContact O-N 3.3Å; Q257-T261 PolarHBondContact NE2-OG1 3.24Å; Q257-T261 VanDerWaalsContact NE2-OG1 3.13Å; Q257-T261 WeakPolarHBondContact O-CB 3.48Å; Q257-T261 PolarHBondContact O-N 3.41Å; Q257-T261 PolarHBondContact O-OG1 3.47Å
258L94.9Very high88Confident26 Ų2666 Ų6614%0.13632%0.322CS..Hα-helixtrans-62.3-41178.7-178.559.3000111.4T217 L220 R221 R254 L255 A256 T262T217-L258 HydrophobicContact CG2-CD2 3.85Å; L220-L258 HydrophobicContact CB-CD2 4.02Å; L220-L258 HydrophobicContact CD2-CB 4.4Å; L220-L258 HydrophobicContact CD2-CD2 3.76Å; L220-L258 HydrophobicContact CD2-CG 3.84Å; L220-L258 HydrophobicContact CG-CD2 3.81Å; L220-L258 HydrophobicContact CG-CG 4.21Å; R221-L258 HydrophobicContact CB-CD2 3.86Å; R254-L258 PolarHBondContact O-N 3.43Å; L255-L258 PolarHBondContact O-N 3.1Å; L255-L258 VanDerWaalsContact O-N 3.15Å; A256-L258 VanDerWaalsContact C-N 3.31Å; A256-L258 PolarHBondContact O-N 3.06Å; L258-T262 WeakPolarHBondContact O-CB 3.32Å; L258-T262 PolarHBondContact O-N 2.91Å; L258-T262 PolarHBondContact O-OG1 3.07Å
259L94.6Very high86.8Confident1 Ų168.8 Ų68.81%0.00534%0.336CS..Hα-helixtrans-61.9-46.9175.3-74.7168.4000112.2P210 F215 L220 L238 L255 A256 Q257 T262 S263 L279P210-L259 HydrophobicContact CB-CD1 3.96Å; F215-L259 HydrophobicContact CZ-CD2 4.32Å; L220-L259 HydrophobicContact CD2-CD2 3.68Å; L220-L259 HydrophobicContact CD2-CG 3.92Å; L238-L259 HydrophobicContact CD2-CB 4.21Å; L255-L259 PolarHBondContact O-N 2.99Å; A256-L259 WeakPolarHBondContact O-CB 3.27Å; A256-L259 PolarHBondContact O-N 2.9Å; A256-L259 VanDerWaalsContact O-N 3.15Å; Q257-L259 VanDerWaalsContact C-N 3.32Å; Q257-L259 PolarHBondContact O-N 3.02Å; L259-T262 PolarHBondContact O-N 3.42Å; L259-S263 PolarHBondContact O-N 3.06Å; L259-L279 HydrophobicContact CD2-CD1 3.76Å
260L93.9Very high85.2Confident17 Ų1774.3 Ų74.39%0.08935%0.354CS..Hα-helixtrans-62.1-44.1177.8-66.2173.5000111.9L238 V241 E242 Y245 A256 Q257 T262 S263 Q264L238-L260 HydrophobicContact CB-CD2 4.11Å; L238-L260 HydrophobicContact CD1-CD2 4.35Å; L238-L260 HydrophobicContact CD2-CD2 4.44Å; V241-L260 HydrophobicContact CB-CD2 4.32Å; V241-L260 HydrophobicContact CG1-CD1 4.21Å; V241-L260 HydrophobicContact CG1-CD2 4.15Å; V241-L260 HydrophobicContact CG1-CG 4.06Å; E242-L260 HydrophobicContact CG-CD1 4.35Å; E242-L260 HydrophobicContact CG-CD2 3.53Å; Y245-L260 HydrophobicContact CD2-CD1 4.09Å; Y245-L260 HydrophobicContact CE2-CD1 4.42Å; A256-L260 WeakPolarHBondContact O-CG 3.36Å; A256-L260 PolarHBondContact O-N 3.43Å; Q257-L260 PolarHBondContact O-N 3.3Å; L260-T262 VanDerWaalsContact C-N 3.32Å; L260-T262 PolarHBondContact O-N 2.87Å; L260-S263 PolarHBondContact O-OG 2.88Å; L260-Q264 WeakPolarHBondContact O-CG 3.16Å
261T92.8Very high83.9Confident58 Ų5869.4 Ų69.436%0.35635%0.348SS..Hα-helixtrans-68-35.6176.1-600000111.4Q257 Q264 L265Q257-T261 PolarHBondContact NE2-OG1 3.24Å; Q257-T261 VanDerWaalsContact NE2-OG1 3.13Å; Q257-T261 WeakPolarHBondContact O-CB 3.48Å; Q257-T261 PolarHBondContact O-N 3.41Å; Q257-T261 PolarHBondContact O-OG1 3.47Å; T261-Q264 WeakPolarHBondContact O-CB 3.2Å; T261-Q264 PolarHBondContact O-N 3.08Å; T261-L265 PolarHBondContact O-N 3.1Å
262T91Very high83.2Confident1 Ų174.9 Ų74.91%0.00636%0.36CS..Hα-helixtrans-65.4-39.4179.5-63.70000112.1T224 P231 L258 L259 L260 Q264 L265 W277T224-T262 HydrophobicContact CG2-CG2 3.88Å; T224-T262 WeakPolarHBondContact CG2-OG1 3.42Å; P231-T262 HydrophobicContact CB-CG2 3.46Å; P231-T262 VanDerWaalsContact CB-CG2 3.46Å; P231-T262 HydrophobicContact CG-CG2 3.79Å; L258-T262 WeakPolarHBondContact O-CB 3.32Å; L258-T262 PolarHBondContact O-N 2.91Å; L258-T262 PolarHBondContact O-OG1 3.07Å; L259-T262 PolarHBondContact O-N 3.42Å; L260-T262 VanDerWaalsContact C-N 3.32Å; L260-T262 PolarHBondContact O-N 2.87Å; T262-Q264 PolarHBondContact O-N 2.78Å; T262-L265 WeakPolarHBondContact O-CB 3.32Å; T262-L265 PolarHBondContact O-N 3.25Å; T262-W277 HydrophobicContact CG2-CH2 3.66Å; T262-W277 HydrophobicContact CG2-CZ2 4.18Å; T262-W277 HydrophobicContact CG2-CZ3 4.45Å
263S89.1Confident82.9Confident18 Ų1873 Ų7313%0.12636%0.356CS..Hα-helixtrans-65.2-28176.667.90000112.6L238 L259 L260L238-S263 VanDerWaalsContact CD1-OG 3.3Å; L238-S263 WeakPolarHBondContact CD1-OG 3.45Å; L259-S263 PolarHBondContact O-N 3.06Å; L260-S263 PolarHBondContact O-OG 2.88Å
264Q87.2Confident82.8Confident105 Ų10578.3 Ų78.349%0.49137%0.373SS..Hα-helixtrans-77.4-23.6176.7-64.8170.9-4.400113L260 T261 T262 N266 R267 S268L260-Q264 WeakPolarHBondContact O-CG 3.16Å; T261-Q264 WeakPolarHBondContact O-CB 3.2Å; T261-Q264 PolarHBondContact O-N 3.08Å; T262-Q264 PolarHBondContact O-N 2.78Å; Q264-N266 VanDerWaalsContact C-N 3.31Å; Q264-N266 PolarHBondContact O-N 2.83Å; Q264-R267 PolarHBondContact O-N 3.33Å; Q264-R267 VanDerWaalsContact O-N 3.13Å; Q264-S268 PolarHBondContact O-N 2.85Å
265L82.1Confident82.9Confident61 Ų6170.8 Ų70.832%0.31935%0.346SS..Hα-helixtrans-56.7-45.2179.5-70.9175.2000111.3P231 T261 T262 R267 S268 M269P231-L265 HydrophobicContact CG-CB 3.9Å; P231-L265 HydrophobicContact CG-CD1 4.07Å; T261-L265 PolarHBondContact O-N 3.1Å; T262-L265 WeakPolarHBondContact O-CB 3.32Å; T262-L265 PolarHBondContact O-N 3.25Å; L265-R267 VanDerWaalsContact C-N 3.25Å; L265-R267 PolarHBondContact O-N 3.11Å; L265-S268 PolarHBondContact O-N 3.41Å; L265-S268 PolarHBondContact O-OG 3.4Å; L265-M269 WeakPolarHBondContact O-CG 3.25Å; L265-M269 PolarHBondContact O-N 2.93Å
266N73.9Confident83Confident72 Ų7274 Ų7439%0.38536%0.361SS..Hα-helixtrans-53.6-41178.2-173.17.6000112.6T230 Q264 S268 M269T230-N266 HydrophobicContact CG2-CB 3.84Å; T230-N266 WeakPolarHBondContact CG2-OD1 3.47Å; Q264-N266 VanDerWaalsContact C-N 3.31Å; Q264-N266 PolarHBondContact O-N 2.83Å; N266-S268 VanDerWaalsContact C-N 3.31Å; N266-S268 PolarHBondContact O-N 3.04Å; N266-M269 PolarHBondContact O-N 3.23Å
267R69.1Low83.2Confident169 Ų16974 Ų7464%0.63836%0.36SS*.Hα-helixtrans-68.8-29.3180-58-174.1-167.6163.34113.1E235 Q264 L265E235-R267 IonicContact OE1-CZ 3.93Å; E235-R267 IonicContact OE1-NE 3.56Å; E235-R267 IonicContact OE1-NH2 2.73Å; E235-R267 PolarHBondContact OE1-NH2 3.44Å; E235-R267 IonicContact OE2-NH2 3Å; Q264-R267 PolarHBondContact O-N 3.33Å; Q264-R267 VanDerWaalsContact O-N 3.13Å; L265-R267 VanDerWaalsContact C-N 3.25Å; L265-R267 PolarHBondContact O-N 3.11Å
268S63.9Low83.3Confident82 Ų8270.7 Ų70.757%0.57335%0.345SS*.Hα-helixtrans-82.7-16.5-178.968.60000113.6Q264 L265 N266 Q270Q264-S268 PolarHBondContact O-N 2.85Å; L265-S268 PolarHBondContact O-N 3.41Å; L265-S268 PolarHBondContact O-OG 3.4Å; N266-S268 VanDerWaalsContact C-N 3.31Å; N266-S268 PolarHBondContact O-N 3.04Å; S268-Q270 PolarHBondContact O-N 3.13Å; S268-Q270 VanDerWaalsContact O-N 3.09Å
269M64Low83.4Confident75 Ų7569.4 Ų69.437%0.36934%0.338SS..  trans-77.998.7-177.5-66.3-174.685.700110.4T230 L265 N266 V271 T273T230-M269 HydrophobicContact CG2-SD 4.22Å; T230-M269 PolarHBondContact OG1-SD 2.99Å; T230-M269 VanDerWaalsContact OG1-SD 3.39Å; L265-M269 WeakPolarHBondContact O-CG 3.25Å; L265-M269 PolarHBondContact O-N 2.93Å; N266-M269 PolarHBondContact O-N 3.23Å; M269-V271 PolarHBondContact O-N 3.39Å; M269-T273 HydrophobicContact CE-CG2 3.15Å; M269-T273 HydrophobicContact SD-CG2 4.16Å
270Q56Low83.5Confident198 Ų19870.8 Ų70.893%0.92534%0.343SS*.  trans-71.1-12170.9-66.8-175.9-10.200113S268S268-Q270 PolarHBondContact O-N 3.13Å; S268-Q270 VanDerWaalsContact O-N 3.09Å
271V61.2Low83.7Confident109 Ų10970.1 Ų70.166%0.66134%0.34SS*.SBendtrans-105129.7-176.2-176.70000109.8M269 T273M269-V271 PolarHBondContact O-N 3.39Å; V271-T273 PolarHBondContact O-N 3.48Å; V271-T273 VanDerWaalsContact O-N 3.08Å
272H73.4Confident83.8Confident189 Ų18969.8 Ų69.888%0.87534%0.335SS*.  trans-64.3107.1169.9-71.3-54000110.2
273T83.7Confident84.2Confident22 Ų2270 Ų7014%0.13534%0.336CS..  trans-74.2147.8170.857.70000111.4D228 T230 M269 V271 K275D228-T273 VanDerWaalsContact OD1-CA 3.22Å; D228-T273 WeakPolarHBondContact OD1-CA 3.48Å; T230-T273 WeakPolarHBondContact CB-OG1 3.37Å; T230-T273 PolarHBondContact N-OG1 3.03Å; T230-T273 VanDerWaalsContact OG1-CG2 3.24Å; T230-T273 WeakPolarHBondContact OG1-CG2 3.41Å; T230-T273 PolarHBondContact OG1-OG1 3.46Å; M269-T273 HydrophobicContact CE-CG2 3.15Å; M269-T273 HydrophobicContact SD-CG2 4.16Å; V271-T273 PolarHBondContact O-N 3.48Å; V271-T273 VanDerWaalsContact O-N 3.08Å; T273-K275 PolarHBondContact OG1-O 3.46Å; T273-K275 VanDerWaalsContact OG1-O 3.12Å
274R90.4Very high84.5Confident170 Ų17070.4 Ų70.464%0.64234%0.34SS*.SBendtrans-72.6-28.5177.3-68.1-173.4-66.7146.511.7113.9D228D228-R274 PolarHBondContact OD1-N 3.03Å; D228-R274 WeakPolarHBondContact OD2-CB 3.16Å; D228-R274 WeakPolarHBondContact OD2-CG 3.31Å; D228-R274 IonicContact OD2-CZ 3.8Å; D228-R274 IonicContact OD2-NE 3.73Å; D228-R274 PolarHBondContact OD2-NE 3.04Å; D228-R274 IonicContact OD2-NH2 3.01Å; D228-R274 PolarHBondContact OD2-NH2 2.81Å
275K96.1Very high85Confident31 Ų3167.2 Ų67.214%0.13532%0.324CS..EExtended strand (participates in β ladder)trans-125.1162.5-176-65.7-171.2175.5-177.70112.8F174 L175 K200 D228 T229 T230 T273F174-K275 PolarHBondContact O-NZ 3.15Å; L175-K275 HydrophobicContact CB-CD 4.44Å; L175-K275 HydrophobicContact CD2-CB 3.99Å; L175-K275 HydrophobicContact CD2-CD 3.98Å; L175-K275 HydrophobicContact CD2-CG 4.49Å; L175-K275 WeakPolarHBondContact O-CD 3.42Å; L175-K275 PolarHBondContact O-NZ 3.15Å; K200-K275 CarbonylContact O-C 3.58Å; K200-K275 WeakPolarHBondContact O-CA 3.43Å; D228-K275 PolarHBondContact O-N 2.97Å; T229-K275 CarbonylContact C-O 3.52Å; T229-K275 VanDerWaalsContact CA-O 3.28Å; T229-K275 WeakPolarHBondContact CA-O 3.47Å; T229-K275 HydrophobicContact CG2-CB 4.28Å; T230-K275 PolarHBondContact N-O 2.97Å; T273-K275 PolarHBondContact OG1-O 3.46Å; T273-K275 VanDerWaalsContact OG1-O 3.12Å
276Q96.3Very high85.7Confident71 Ų7169.9 Ų69.933%0.33233%0.333SS..EExtended strand (participates in β ladder)trans-144.5149-178.4-62.1177.6-8.100110.9K200 K201 V202 T230 I232K200-Q276 PolarHBondContact O-N 3.32Å; K201-Q276 VanDerWaalsContact CA-O 3.3Å; K201-Q276 WeakPolarHBondContact CA-O 3.47Å; K201-Q276 HydrophobicContact CG-CB 4.3Å; V202-Q276 PolarHBondContact N-O 3.01Å; T230-Q276 VanDerWaalsContact O-CA 3.26Å; T230-Q276 WeakPolarHBondContact O-CA 3.48Å; I232-Q276 HydrophobicContact CD1-CB 4.16Å; I232-Q276 HydrophobicContact CD1-CG 4.26Å
277W97.6Very high86.8Confident1 Ų169.7 Ų69.70%0.00433%0.332CS..EExtended strand (participates in β ladder)trans-128145.3161.256.7-96.8000111L175 V202 L220 L223 T224 T229 T230 P231 I232 T262 L279L175-W277 HydrophobicContact CD1-CB 3.7Å; L175-W277 HydrophobicContact CD1-CG 4.19Å; V202-W277 CarbonylContact O-C 3.37Å; V202-W277 WeakPolarHBondContact O-CA 3.14Å; L220-W277 HydrophobicContact CD1-CH2 3.76Å; L220-W277 HydrophobicContact CD1-CZ3 4.34Å; L223-W277 HydrophobicContact CB-CZ2 4.23Å; L223-W277 HydrophobicContact CD2-CD2 3.61Å; L223-W277 HydrophobicContact CD2-CE3 3.89Å; L223-W277 HydrophobicContact CD2-CG 4.01Å; L223-W277 HydrophobicContact CD2-CH2 4.11Å; L223-W277 HydrophobicContact CD2-CZ2 3.85Å; L223-W277 HydrophobicContact CD2-CZ3 4.16Å; L223-W277 HydrophobicContact CG-CD2 4.05Å; L223-W277 HydrophobicContact CG-CG 4.24Å; L223-W277 HydrophobicContact CG-CZ2 3.89Å; L223-W277 PolarHBondContact O-NE1 3.45Å; T224-W277 HydrophobicContact CG2-CH2 4.22Å; T224-W277 HydrophobicContact CG2-CZ2 3.89Å; T229-W277 VanDerWaalsContact CG2-CD1 3.47Å; T230-W277 PolarHBondContact O-N 3.28Å; P231-W277 CarbonylContact C-O 3.56Å; P231-W277 HydrophobicContact CB-CD2 4.07Å; P231-W277 HydrophobicContact CB-CE3 4.29Å; P231-W277 HydrophobicContact CB-CH2 3.67Å; P231-W277 HydrophobicContact CB-CZ2 3.39Å; P231-W277 HydrophobicContact CB-CZ3 4.08Å; I232-W277 PolarHBondContact N-O 3.13Å; T262-W277 HydrophobicContact CG2-CH2 3.66Å; T262-W277 HydrophobicContact CG2-CZ2 4.18Å; T262-W277 HydrophobicContact CG2-CZ3 4.45Å; W277-L279 HydrophobicContact CE3-CG 4.18Å; W277-L279 HydrophobicContact CZ3-CD1 3.88Å; W277-L279 HydrophobicContact CZ3-CD2 4.41Å; W277-L279 HydrophobicContact CZ3-CG 3.74Å
278E97.4Very high88.1Confident8 Ų862.3 Ų62.34%0.03731%0.305CS..EExtended strand (participates in β ladder)trans-126.3132.2-176.5-174.3176.1168.100110.5K201 V202 I203 L204 I232 R234 R280K201-E278 WeakPolarHBondContact CE-OE2 3.33Å; K201-E278 IonicContact NZ-OE2 3.99Å; K201-E278 PolarHBondContact NZ-OE2 2.71Å; V202-E278 PolarHBondContact O-N 3.23Å; I203-E278 CarbonylContact C-O 3.57Å; I203-E278 WeakPolarHBondContact CA-O 3.33Å; I203-E278 HydrophobicContact CG1-CB 4.27Å; I203-E278 HydrophobicContact CG2-CB 4.23Å; I203-E278 HydrophobicContact CG2-CG 4.45Å; L204-E278 PolarHBondContact N-O 2.99Å; I232-E278 HydrophobicContact CB-CB 4.04Å; I232-E278 HydrophobicContact CB-CG 4Å; I232-E278 HydrophobicContact CG2-CB 4.42Å; I232-E278 HydrophobicContact CG2-CG 3.86Å; I232-E278 CarbonylContact O-C 3.32Å; I232-E278 VanDerWaalsContact O-CA 3.25Å; I232-E278 WeakPolarHBondContact O-CA 3.44Å; R234-E278 IonicContact NE-OE1 2.75Å; E278-R280 VanDerWaalsContact CD-NE 3.28Å; E278-R280 HydrophobicContact CG-CG 4.08Å; E278-R280 IonicContact OE1-CZ 3.98Å; E278-R280 VanDerWaalsContact OE1-CZ 3.29Å; E278-R280 IonicContact OE1-NE 2.66Å; E278-R280 PolarHBondContact OE1-NE 3.34Å; E278-R280 IonicContact OE1-NH2 3.74Å; E278-R280 PolarHBondContact OE1-NH2 3.34Å; E278-R280 IonicContact OE2-CZ 3.32Å; E278-R280 IonicContact OE2-NE 2.94Å; E278-R280 IonicContact OE2-NH2 3.17Å; E278-R280 PolarHBondContact OE2-NH2 3.15Å
279L97.8Very high89.6Confident0 Ų063.3 Ų63.30%030%0.301CS..EExtended strand (participates in β ladder)trans-96.2121.2165.5-62.4174.8000108.5L204 F215 L220 I232 V233 L259 W277 F281L204-L279 HydrophobicContact CB-CD2 3.94Å; L204-L279 HydrophobicContact CD1-CD2 4.2Å; L204-L279 HydrophobicContact CG-CD2 4.47Å; F215-L279 HydrophobicContact CE1-CD1 4.47Å; F215-L279 HydrophobicContact CE1-CD2 4.48Å; F215-L279 HydrophobicContact CZ-CD1 4.22Å; L220-L279 HydrophobicContact CD1-CD1 4.31Å; I232-L279 PolarHBondContact O-N 2.85Å; V233-L279 HydrophobicContact CG2-CB 4.38Å; V233-L279 HydrophobicContact CG2-CD1 4.28Å; L259-L279 HydrophobicContact CD2-CD1 3.76Å; W277-L279 HydrophobicContact CE3-CG 4.18Å; W277-L279 HydrophobicContact CZ3-CD1 3.88Å; W277-L279 HydrophobicContact CZ3-CD2 4.41Å; W277-L279 HydrophobicContact CZ3-CG 3.74Å; L279-F281 HydrophobicContact CB-CE2 3.79Å; L279-F281 HydrophobicContact CB-CZ 3.74Å; L279-F281 HydrophobicContact CD1-CZ 4.05Å; L279-F281 HydrophobicContact CG-CZ 4.45Å
280R97Very high91.1Very high29 Ų2963 Ų6311%0.10930%0.296CS..EExtended strand (participates in β ladder)trans-112.4133.4168.6-61.5-169.9177.7179.97110.1Q163 I203 L204 I205 G206 E278 L283 E323Q163-R280 PolarHBondContact NE2-O 3.08Å; Q163-R280 VanDerWaalsContact NE2-O 3.07Å; I203-R280 HydrophobicContact CG2-CG 3.86Å; L204-R280 PolarHBondContact O-N 3.14Å; I205-R280 HydrophobicContact CD1-CB 3.89Å; I205-R280 HydrophobicContact CD1-CG 4.26Å; G206-R280 PolarHBondContact N-O 2.95Å; E278-R280 VanDerWaalsContact CD-NE 3.28Å; E278-R280 HydrophobicContact CG-CG 4.08Å; E278-R280 IonicContact OE1-CZ 3.98Å; E278-R280 VanDerWaalsContact OE1-CZ 3.29Å; E278-R280 IonicContact OE1-NE 2.66Å; E278-R280 PolarHBondContact OE1-NE 3.34Å; E278-R280 IonicContact OE1-NH2 3.74Å; E278-R280 PolarHBondContact OE1-NH2 3.34Å; E278-R280 IonicContact OE2-CZ 3.32Å; E278-R280 IonicContact OE2-NE 2.94Å; E278-R280 IonicContact OE2-NH2 3.17Å; E278-R280 PolarHBondContact OE2-NH2 3.15Å; R280-L283 HydrophobicContact CB-CD1 3.86Å; R280-E323 IonicContact CZ-OE1 3.73Å; R280-E323 IonicContact NE-OE1 2.81Å; R280-E323 IonicContact NH1-OE1 2.67Å; R280-E323 PolarHBondContact NH1-OE1 3.35Å
281F96.9Very high92.7Very high4 Ų458.3 Ų58.32%0.01827%0.274CS..  trans-108.5168-179.2-59.4-77.2000111G206 R208 P210 V213 V233 D237 L279 L283G206-F281 CarbonylContact O-C 3.6Å; R208-F281 WeakPolarHBondContact O-CB 3.17Å; P210-F281 HydrophobicContact CB-CD1 4.26Å; P210-F281 HydrophobicContact CB-CD2 4.36Å; P210-F281 HydrophobicContact CB-CE1 3.94Å; P210-F281 HydrophobicContact CB-CE2 4.02Å; P210-F281 HydrophobicContact CB-CG 4.45Å; P210-F281 HydrophobicContact CB-CZ 3.79Å; V213-F281 HydrophobicContact CG1-CD1 4.41Å; V213-F281 HydrophobicContact CG1-CE1 3.57Å; V213-F281 HydrophobicContact CG1-CZ 4.4Å; V233-F281 HydrophobicContact CG1-CE2 4.03Å; D237-F281 HydrophobicContact CB-CB 4.47Å; D237-F281 HydrophobicContact CB-CD2 3.67Å; D237-F281 HydrophobicContact CB-CE2 4.43Å; D237-F281 HydrophobicContact CB-CG 4.49Å; D237-F281 WeakPolarHBondContact OD2-CD2 3.32Å; L279-F281 HydrophobicContact CB-CE2 3.79Å; L279-F281 HydrophobicContact CB-CZ 3.74Å; L279-F281 HydrophobicContact CD1-CZ 4.05Å; L279-F281 HydrophobicContact CG-CZ 4.45Å; F281-L283 VanDerWaalsContact C-N 3.25Å; F281-L283 PolarHBondContact O-N 3Å
282L96.6Very high93.8Very high50 Ų5063.8 Ų63.826%0.26229%0.289SS..SBendtrans5536.2174.9-54.9175.1000114.3G206 R208 R301 N302 L304G206-L282 PolarHBondContact O-N 3.45Å; R208-L282 PolarHBondContact O-N 2.76Å; R208-L282 VanDerWaalsContact O-N 3.15Å; L282-R301 CarbonylContact O-C 3.59Å; L282-R301 WeakPolarHBondContact O-CA 3.31Å; L282-N302 HydrophobicContact CB-CB 4.42Å; L282-N302 PolarHBondContact O-N 3.09Å; L282-L304 HydrophobicContact CD2-CB 3.89Å
283L97.7Very high94.4Very high5 Ų557.1 Ų57.13%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-124125.4177.2-70.2177.2000110.9I205 G206 R207 R280 F281 F299 T300 R301 E323I205-L283 HydrophobicContact CD1-CD1 4.27Å; I205-L283 HydrophobicContact CG2-CB 3.64Å; G206-L283 PolarHBondContact O-N 3.03Å; R207-L283 VanDerWaalsContact CA-O 3.31Å; R207-L283 WeakPolarHBondContact CA-O 3.24Å; R280-L283 HydrophobicContact CB-CD1 3.86Å; F281-L283 VanDerWaalsContact C-N 3.25Å; F281-L283 PolarHBondContact O-N 3Å; L283-F299 HydrophobicContact CB-CB 4.15Å; L283-F299 HydrophobicContact CB-CD1 4.19Å; L283-F299 HydrophobicContact CB-CG 4.35Å; L283-F299 HydrophobicContact CD2-CB 3.95Å; L283-F299 HydrophobicContact CG-CB 4.43Å; L283-T300 WeakPolarHBondContact CA-O 3.42Å; L283-R301 HydrophobicContact CD2-CG 3.86Å; L283-E323 HydrophobicContact CD2-CB 4.35Å
284S97Very high94.9Very high28 Ų2858.4 Ų58.420%0.19627%0.274CS..EExtended strand (participates in β ladder)trans-103.7134.9172.1-69.10000110.1K286 F299 T300 N302S284-K286 PolarHBondContact O-N 3.09Å; S284-F299 CarbonylContact O-C 3.43Å; S284-F299 WeakPolarHBondContact O-CA 3.49Å; S284-T300 PolarHBondContact N-O 3.03Å; S284-T300 PolarHBondContact O-N 3.23Å; S284-N302 PolarHBondContact N-ND2 3.15Å; S284-N302 VanDerWaalsContact OG-CG 3.24Å; S284-N302 PolarHBondContact OG-ND2 3.4Å; S284-N302 PolarHBondContact OG-OD1 3.15Å
285F97.3Very high95.1Very high37 Ų3750.6 Ų50.616%0.16225%0.246CC..EExtended strand (participates in β ladder)trans-59.5129.8171.1173.6-99000109.9L119 V120 L161 I288 V297 F299 L330L119-F285 HydrophobicContact CD1-CD1 3.48Å; L119-F285 VanDerWaalsContact CD1-CD1 3.48Å; L119-F285 HydrophobicContact CD1-CD2 4.38Å; L119-F285 HydrophobicContact CD1-CE1 3.53Å; L119-F285 HydrophobicContact CD1-CE2 4.43Å; L119-F285 HydrophobicContact CD1-CG 3.93Å; L119-F285 HydrophobicContact CD1-CZ 4.03Å; L119-F285 HydrophobicContact CD2-CE1 4.08Å; L119-F285 HydrophobicContact CD2-CE2 4.3Å; L119-F285 HydrophobicContact CD2-CZ 3.84Å; L119-F285 HydrophobicContact CG-CD1 4.22Å; L119-F285 HydrophobicContact CG-CE1 3.73Å; L119-F285 HydrophobicContact CG-CZ 4.03Å; V120-F285 WeakPolarHBondContact O-CE1 3.28Å; L161-F285 HydrophobicContact CD1-CB 3.96Å; L161-F285 HydrophobicContact CD1-CD2 3.69Å; L161-F285 HydrophobicContact CD1-CE2 4.36Å; L161-F285 HydrophobicContact CD1-CG 3.88Å; F285-I288 HydrophobicContact CE2-CB 4.18Å; F285-I288 HydrophobicContact CZ-CB 4.2Å; F285-I288 HydrophobicContact CZ-CG2 4.11Å; F285-V297 HydrophobicContact CD2-CG1 3.58Å; F285-V297 HydrophobicContact CE2-CG1 3.66Å; F285-F299 HydrophobicContact CB-CE1 4.45Å; F285-L330 HydrophobicContact CE2-CD2 4.19Å
286K96.6Very high95.1Very high117 Ų11753.6 Ų53.651%0.50926%0.256SS..EExtended strand (participates in β ladder)trans-109.4-56.4177.8-172.2-173.3-175174.10111S284 T298 T300 T322S284-K286 PolarHBondContact O-N 3.09Å; K286-T298 WeakPolarHBondContact CA-O 3.42Å; K286-T298 HydrophobicContact CB-CG2 4.24Å; K286-T298 VanDerWaalsContact CB-O 3.31Å; K286-T298 WeakPolarHBondContact CB-O 3.31Å; K286-T298 HydrophobicContact CD-CG2 3.92Å; K286-T298 PolarHBondContact N-O 3.17Å; K286-T300 HydrophobicContact CB-CG2 4.25Å; K286-T300 HydrophobicContact CD-CG2 3.86Å; K286-T300 HydrophobicContact CG-CG2 4.25Å; K286-T322 HydrophobicContact CD-CG2 4.36Å
287D96.5Very high95.2Very high69 Ų6950.2 Ų50.237%0.36924%0.241SC..EExtended strand (participates in β ladder)trans-159.5166.4-174.1-159.214.1000112.3T298D287-T298 PolarHBondContact N-O 2.89Å; D287-T298 PolarHBondContact O-N 2.9Å
288I96.4Very high95.2Very high14 Ų1451.1 Ų51.17%0.07225%0.246CC..EExtended strand (participates in β ladder)trans-133.8128.2178.1-178.8165.6000111.3F285 Y290 C295 V297 L330F285-I288 HydrophobicContact CE2-CB 4.18Å; F285-I288 HydrophobicContact CZ-CB 4.2Å; F285-I288 HydrophobicContact CZ-CG2 4.11Å; I288-Y290 HydrophobicContact CD1-CD1 4.22Å; I288-Y290 HydrophobicContact CD1-CE1 3.49Å; I288-Y290 VanDerWaalsContact CD1-CE1 3.49Å; I288-Y290 HydrophobicContact CD1-CE2 4.39Å; I288-Y290 HydrophobicContact CG1-CD1 4.4Å; I288-Y290 HydrophobicContact CG1-CE1 4Å; I288-Y290 HydrophobicContact CG1-CE2 4.18Å; I288-Y290 HydrophobicContact CG2-CE2 3.91Å; I288-C295 HydrophobicContact CD1-CB 3.8Å; I288-C295 HydrophobicContact CG1-CB 3.85Å; I288-V297 HydrophobicContact CD1-CG2 4.31Å; I288-V297 HydrophobicContact CG1-CG2 4.36Å; I288-L330 HydrophobicContact CD1-CD2 3.7Å
289E96.2Very high95.2Very high102 Ų10250.8 Ų50.848%0.47724%0.244SC..EExtended strand (participates in β ladder)trans-109128.4172.4-67.2170.5-166.200109.4C295 R296E289-C295 CarbonylContact O-C 3.46Å; E289-C295 WeakPolarHBondContact O-CA 3.27Å; E289-C295 VanDerWaalsContact O-CB 3.23Å; E289-C295 WeakPolarHBondContact O-CB 3.3Å; E289-R296 HydrophobicContact CB-CB 4.44Å; E289-R296 PolarHBondContact N-O 3.25Å; E289-R296 PolarHBondContact O-N 3.23Å
290Y94.5Very high95.3Very high69 Ų6951.5 Ų51.527%0.27125%0.249SC..EExtended strand (participates in β ladder)trans-96.7129.2-177.1-62-82.5000111.7P123 I124 S127 I288 C295P123-Y290 VanDerWaalsContact CA-OH 3.26Å; P123-Y290 WeakPolarHBondContact CA-OH 3.49Å; I124-Y290 HydrophobicContact CB-CD2 4.5Å; I124-Y290 HydrophobicContact CB-CE2 4.02Å; I124-Y290 HydrophobicContact CD1-CD2 3.47Å; I124-Y290 VanDerWaalsContact CD1-CD2 3.47Å; I124-Y290 HydrophobicContact CD1-CE2 3.56Å; I124-Y290 HydrophobicContact CD1-CG 4.45Å; I124-Y290 HydrophobicContact CG1-CD2 4.05Å; I124-Y290 HydrophobicContact CG1-CE2 3.59Å; I124-Y290 PolarHBondContact N-OH 2.96Å; S127-Y290 PolarHBondContact OG-OH 3.27Å; I288-Y290 HydrophobicContact CD1-CD1 4.22Å; I288-Y290 HydrophobicContact CD1-CE1 3.49Å; I288-Y290 VanDerWaalsContact CD1-CE1 3.49Å; I288-Y290 HydrophobicContact CD1-CE2 4.39Å; I288-Y290 HydrophobicContact CG1-CD1 4.4Å; I288-Y290 HydrophobicContact CG1-CE1 4Å; I288-Y290 HydrophobicContact CG1-CE2 4.18Å; I288-Y290 HydrophobicContact CG2-CE2 3.91Å; Y290-C295 HydrophobicContact CD1-CB 4.11Å
291E89.2Confident95.3Very high99 Ų9955.4 Ų55.446%0.46326%0.264SS..EExtended strand (participates in β ladder)trans-126.193.2178.3-69-178.1-168.300109.6A293 T294 R296E291-A293 PolarHBondContact O-N 3.5Å; E291-A293 VanDerWaalsContact O-N 3.1Å; E291-T294 CarbonylContact C-O 3.57Å; E291-T294 PolarHBondContact N-O 2.86Å; E291-T294 PolarHBondContact O-N 3.23Å; E291-T294 PolarHBondContact O-OG1 3.14Å; E291-R296 WeakPolarHBondContact OE1-CD 3.48Å
292K85.7Confident95.3Very high224 Ų22455.7 Ų55.797%0.97427%0.265SS*.THydrogen-bonded Turntrans53.7-113.9-175-58.3177.1-179.9176.60111.1
293A85.2Confident95.2Very high49 Ų4958.5 Ų58.541%0.40528%0.28SS..THydrogen-bonded Turntrans-91.65.9179.700000113.7A154 E291A154-A293 HydrophobicContact CB-CB 3.85Å; A154-A293 WeakPolarHBondContact CB-O 3.33Å; E291-A293 PolarHBondContact O-N 3.5Å; E291-A293 VanDerWaalsContact O-N 3.1Å
294T93.7Very high95Very high49 Ų4959.8 Ų59.830%0.30129%0.286SS..EExtended strand (participates in β ladder)trans-126.3173.9-179.1640000110.8E291E291-T294 CarbonylContact C-O 3.57Å; E291-T294 PolarHBondContact N-O 2.86Å; E291-T294 PolarHBondContact O-N 3.23Å; E291-T294 PolarHBondContact O-OG1 3.14Å
295C94.4Very high94.8Very high6 Ų663.6 Ų63.64%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-147.5158.8176.258.80000112I288 E289 Y290 P326 C327I288-C295 HydrophobicContact CD1-CB 3.8Å; I288-C295 HydrophobicContact CG1-CB 3.85Å; E289-C295 CarbonylContact O-C 3.46Å; E289-C295 WeakPolarHBondContact O-CA 3.27Å; E289-C295 VanDerWaalsContact O-CB 3.23Å; E289-C295 WeakPolarHBondContact O-CB 3.3Å; Y290-C295 HydrophobicContact CD1-CB 4.11Å; C295-P326 WeakPolarHBondContact O-CA 3.38Å; C295-C327 PolarHBondContact N-O 3.41Å; C295-C327 PolarHBondContact O-N 2.8Å; C295-C327 PolarHBondContact SG-O 3.28Å; C295-C327 PolarHBondContact SG-SG 2.92Å
296R97Very high94.2Very high95 Ų9564.4 Ų64.436%0.35831%0.305SS..EExtended strand (participates in β ladder)trans-110.3120.8169.3-61.9177.266.190.50107.7E289 E291 V324E289-R296 HydrophobicContact CB-CB 4.44Å; E289-R296 PolarHBondContact N-O 3.25Å; E289-R296 PolarHBondContact O-N 3.23Å; E291-R296 WeakPolarHBondContact OE1-CD 3.48Å; R296-V324 HydrophobicContact CB-CG1 3.96Å
297V98Very high93.5Very high0 Ų063 Ų630%030%0.304CS..EExtended strand (participates in β ladder)trans-105.3122.7-178.4-173.50000109.1F285 I288 F299 V324 I325 L330F285-V297 HydrophobicContact CD2-CG1 3.58Å; F285-V297 HydrophobicContact CE2-CG1 3.66Å; I288-V297 HydrophobicContact CD1-CG2 4.31Å; I288-V297 HydrophobicContact CG1-CG2 4.36Å; V297-F299 HydrophobicContact CB-CE2 3.76Å; V297-F299 HydrophobicContact CB-CZ 4Å; V297-F299 HydrophobicContact CG1-CD2 4.31Å; V297-F299 HydrophobicContact CG1-CE1 4.05Å; V297-F299 HydrophobicContact CG1-CE2 3.5Å; V297-F299 VanDerWaalsContact CG1-CE2 3.5Å; V297-F299 HydrophobicContact CG1-CZ 3.34Å; V297-F299 WeakPolarHBondContact O-CD2 2.91Å; V297-F299 WeakPolarHBondContact O-CE2 3.44Å; V297-V324 WeakPolarHBondContact O-CA 3.01Å; V297-I325 PolarHBondContact N-O 3.36Å; V297-I325 PolarHBondContact O-N 2.9Å; V297-L330 HydrophobicContact CG2-CD1 4.26Å; V297-L330 HydrophobicContact CG2-CD2 4.11Å
298T98.3Very high92.4Very high20 Ų2063.9 Ų63.912%0.12331%0.308CS..EExtended strand (participates in β ladder)trans-94.2131.4178.4-60.60000109.8K286 D287 T322 V324K286-T298 WeakPolarHBondContact CA-O 3.42Å; K286-T298 HydrophobicContact CB-CG2 4.24Å; K286-T298 VanDerWaalsContact CB-O 3.31Å; K286-T298 WeakPolarHBondContact CB-O 3.31Å; K286-T298 HydrophobicContact CD-CG2 3.92Å; K286-T298 PolarHBondContact N-O 3.17Å; D287-T298 PolarHBondContact N-O 2.89Å; D287-T298 PolarHBondContact O-N 2.9Å; T298-T322 HydrophobicContact CG2-CG2 4.24Å; T298-V324 HydrophobicContact CG2-CG2 4.36Å
299F98.2Very high91.5Very high0 Ų072.5 Ų72.50%035%0.345CS..EExtended strand (participates in β ladder)trans-117.1148.3175.8-60.6-86.3000110.6V159 L161 I205 L283 S284 F285 V297 T322 E323 I325V159-F299 HydrophobicContact CG1-CZ 4.03Å; L161-F299 HydrophobicContact CD2-CE1 3.51Å; L161-F299 HydrophobicContact CD2-CZ 3.8Å; I205-F299 HydrophobicContact CB-CE1 4.24Å; I205-F299 HydrophobicContact CD1-CE1 4.48Å; I205-F299 HydrophobicContact CD1-CZ 4.31Å; I205-F299 HydrophobicContact CG1-CE1 3.88Å; I205-F299 HydrophobicContact CG1-CZ 3.88Å; I205-F299 HydrophobicContact CG2-CD1 3.96Å; I205-F299 HydrophobicContact CG2-CE1 3.74Å; L283-F299 HydrophobicContact CB-CB 4.15Å; L283-F299 HydrophobicContact CB-CD1 4.19Å; L283-F299 HydrophobicContact CB-CG 4.35Å; L283-F299 HydrophobicContact CD2-CB 3.95Å; L283-F299 HydrophobicContact CG-CB 4.43Å; S284-F299 CarbonylContact O-C 3.43Å; S284-F299 WeakPolarHBondContact O-CA 3.49Å; F285-F299 HydrophobicContact CB-CE1 4.45Å; V297-F299 HydrophobicContact CB-CE2 3.76Å; V297-F299 HydrophobicContact CB-CZ 4Å; V297-F299 HydrophobicContact CG1-CD2 4.31Å; V297-F299 HydrophobicContact CG1-CE1 4.05Å; V297-F299 HydrophobicContact CG1-CE2 3.5Å; V297-F299 VanDerWaalsContact CG1-CE2 3.5Å; V297-F299 HydrophobicContact CG1-CZ 3.34Å; V297-F299 WeakPolarHBondContact O-CD2 2.91Å; V297-F299 WeakPolarHBondContact O-CE2 3.44Å; F299-T322 CarbonylContact O-C 3.47Å; F299-T322 WeakPolarHBondContact O-CA 3.07Å; F299-T322 WeakPolarHBondContact O-CB 3.36Å; F299-E323 PolarHBondContact N-O 3.02Å; F299-E323 PolarHBondContact O-N 3.39Å; F299-I325 HydrophobicContact CD2-CB 4.5Å; F299-I325 HydrophobicContact CD2-CD1 3.81Å; F299-I325 HydrophobicContact CD2-CG1 3.91Å; F299-I325 HydrophobicContact CE2-CB 3.97Å; F299-I325 HydrophobicContact CE2-CD1 3.55Å; F299-I325 HydrophobicContact CE2-CG1 3.78Å; F299-I325 HydrophobicContact CZ-CD1 4.38Å
300T98.1Very high90.9Very high15 Ų1570.6 Ų70.69%0.09234%0.338CS..EExtended strand (participates in β ladder)trans-97.1139.3162.750.50000110L283 S284 K286 P318 L321 T322L283-T300 WeakPolarHBondContact CA-O 3.42Å; S284-T300 PolarHBondContact N-O 3.03Å; S284-T300 PolarHBondContact O-N 3.23Å; K286-T300 HydrophobicContact CB-CG2 4.25Å; K286-T300 HydrophobicContact CD-CG2 3.86Å; K286-T300 HydrophobicContact CG-CG2 4.25Å; T300-P318 WeakPolarHBondContact OG1-CB 3.39Å; T300-L321 CarbonylContact C-O 3.58Å; T300-L321 WeakPolarHBondContact CA-O 3.06Å; T300-T322 HydrophobicContact CG2-CG2 4.31Å
301R97.4Very high90.2Very high112 Ų11268.1 Ų68.142%0.42333%0.329SS..EExtended strand (participates in β ladder)trans-73.4135.5170.1-67-173.3172.2-154.2-6.8109.2L282 L283 T319 L321 E323L282-R301 CarbonylContact O-C 3.59Å; L282-R301 WeakPolarHBondContact O-CA 3.31Å; L283-R301 HydrophobicContact CD2-CG 3.86Å; R301-T319 WeakPolarHBondContact O-CB 3.39Å; R301-T319 WeakPolarHBondContact O-CG2 3.21Å; R301-T319 PolarHBondContact O-N 3.24Å; R301-T319 PolarHBondContact O-OG1 3.09Å; R301-L321 HydrophobicContact CB-CB 4.15Å; R301-L321 HydrophobicContact CG-CB 4.33Å; R301-L321 PolarHBondContact N-O 2.81Å; R301-E323 IonicContact CZ-OE2 2.71Å; R301-E323 IonicContact NE-OE2 3.62Å; R301-E323 IonicContact NH2-OE2 2.73Å; R301-E323 PolarHBondContact NH2-OE2 2.6Å
302N97.2Very high89.7Confident9 Ų972.8 Ų72.85%0.04834%0.342CS..EExtended strand (participates in β ladder)trans-101.7147.8-179.4-59.7-46.2000111.5R207 L282 S284 A316 Y317 P318R207-N302 PolarHBondContact O-ND2 2.83Å; L282-N302 HydrophobicContact CB-CB 4.42Å; L282-N302 PolarHBondContact O-N 3.09Å; S284-N302 PolarHBondContact N-ND2 3.15Å; S284-N302 VanDerWaalsContact OG-CG 3.24Å; S284-N302 PolarHBondContact OG-ND2 3.4Å; S284-N302 PolarHBondContact OG-OD1 3.15Å; N302-A316 HydrophobicContact CB-CB 4.01Å; N302-Y317 CarbonylContact C-O 3.58Å; N302-Y317 WeakPolarHBondContact CA-O 3.48Å; N302-P318 VanDerWaalsContact OD1-CA 3.28Å; N302-P318 WeakPolarHBondContact OD1-CA 3.36Å
303I95.2Very high89.5Confident110 Ų11068.9 Ų68.956%0.56433%0.327SS*.EExtended strand (participates in β ladder)trans-94.8135.4160.4-65.2166.1000107.9A316 Y317 T319I303-A316 WeakPolarHBondContact O-CA 3.21Å; I303-Y317 PolarHBondContact N-O 2.92Å; I303-Y317 PolarHBondContact O-N 3.2Å; I303-T319 HydrophobicContact CD1-CG2 3.56Å; I303-T319 HydrophobicContact CG1-CG2 3.59Å
304L93.7Very high89.8Confident32 Ų3266.8 Ų66.817%0.16831%0.31CS..EExtended strand (participates in β ladder)trans-97.1121.9179-169.872000110.2R208 L282 Q306 A314 A316R208-L304 HydrophobicContact CB-CD1 3.94Å; R208-L304 HydrophobicContact CG-CD1 3.82Å; L282-L304 HydrophobicContact CD2-CB 3.89Å; L304-Q306 HydrophobicContact CD2-CB 4.45Å; L304-Q306 HydrophobicContact CD2-CG 4.42Å; L304-Q306 VanDerWaalsContact CD2-OE1 3.31Å; L304-Q306 HydrophobicContact CG-CB 4.39Å; L304-A314 HydrophobicContact CD1-CB 4.12Å; L304-A316 HydrophobicContact CD1-CB 4.47Å
305E91.5Very high89.7Confident108 Ų10870.3 Ų70.351%0.50532%0.321SS..EExtended strand (participates in β ladder)trans-98.6120.5165-177.9-174.3-152.800108.1A314 K315 Y317E305-A314 CarbonylContact O-C 3.41Å; E305-A314 VanDerWaalsContact O-CA 3.31Å; E305-A314 WeakPolarHBondContact O-CA 3.3Å; E305-K315 PolarHBondContact N-O 3.41Å; E305-K315 PolarHBondContact O-N 3.3Å; E305-Y317 HydrophobicContact CB-CD2 4.32Å; E305-Y317 HydrophobicContact CB-CE2 3.65Å; E305-Y317 HydrophobicContact CG-CE2 4.48Å; E305-Y317 WeakPolarHBondContact OE2-CE2 3.41Å; E305-Y317 PolarHBondContact OE2-OH 3.37Å
306Q86Confident89.8Confident53 Ų5371.1 Ų71.125%0.24833%0.328CS..EExtended strand (participates in β ladder)trans-142.6149.5-176.766.8-179.40.600112.5E240 L304 A314E240-Q306 PolarHBondContact OE1-NE2 2.71Å; L304-Q306 HydrophobicContact CD2-CB 4.45Å; L304-Q306 HydrophobicContact CD2-CG 4.42Å; L304-Q306 VanDerWaalsContact CD2-OE1 3.31Å; L304-Q306 HydrophobicContact CG-CB 4.39Å; Q306-A314 HydrophobicContact CB-CB 3.63Å
307D81.2Confident89.7Confident89 Ų8971.9 Ų71.948%0.47633%0.332SS..EExtended strand (participates in β ladder)trans-103.4130.1163.4-176.4-10.8000108.2K309 D310 L311D307-K309 PolarHBondContact O-N 2.86Å; D307-K309 WeakPolarHBondContact OD1-CB 3.42Å; D307-K309 PolarHBondContact OD1-N 2.73Å; D307-D310 HydrophobicContact CB-CB 4.5Å; D307-D310 CarbonylContact O-C 3.44Å; D307-D310 PolarHBondContact O-N 3.37Å; D307-L311 PolarHBondContact O-N 3.08Å
308L73.7Confident89.6Confident87 Ų8775.9 Ų75.946%0.45536%0.358SS..THydrogen-bonded Turntrans-61.3-26.9175.6-65.2179.5000112.6L244 L247 D310 L311L244-L308 HydrophobicContact CD1-CD2 3.45Å; L244-L308 VanDerWaalsContact CD1-CD2 3.45Å; L244-L308 HydrophobicContact CD2-CD1 3.92Å; L244-L308 HydrophobicContact CD2-CD2 3.59Å; L244-L308 HydrophobicContact CD2-CG 4.43Å; L244-L308 HydrophobicContact CG-CD2 4.1Å; L247-L308 HydrophobicContact CD1-CD1 4.35Å; L308-D310 VanDerWaalsContact C-N 3.31Å; L308-L311 HydrophobicContact CD2-CD2 4.4Å
309K78Confident89.5Confident195 Ų19576.6 Ų76.685%0.84836%0.362SS*.THydrogen-bonded Turntrans-75.6-21.8174.3-62.9179.2-179.4176.20112.5D307D307-K309 PolarHBondContact O-N 2.86Å; D307-K309 WeakPolarHBondContact OD1-CB 3.42Å; D307-K309 PolarHBondContact OD1-N 2.73Å
310D82.6Confident89.4Confident62 Ų6284.4 Ų84.433%0.33240%0.404SS..EExtended strand (participates in β ladder)trans-140.170.1-178.5-167.9-3.9000112.7D307 L308 R312 H313D307-D310 HydrophobicContact CB-CB 4.5Å; D307-D310 CarbonylContact O-C 3.44Å; D307-D310 PolarHBondContact O-N 3.37Å; L308-D310 VanDerWaalsContact C-N 3.31Å; D310-R312 PolarHBondContact O-N 3.43Å; D310-R312 VanDerWaalsContact O-N 3.11Å; D310-R312 PolarHBondContact OD1-N 3.25Å; D310-H313 PolarHBondContact O-N 3.01Å; D310-H313 IonicContact OD1-CE1 3.67Å; D310-H313 IonicContact OD1-CG 2.64Å; D310-H313 PolarHBondContact OD1-N 3.5Å; D310-H313 IonicContact OD1-ND1 3.5Å; D310-H313 PolarHBondContact OD1-ND1 2.86Å; D310-H313 IonicContact OD2-CE1 3.59Å; D310-H313 IonicContact OD2-CG 3.53Å; D310-H313 IonicContact OD2-ND1 3.17Å; D310-H313 PolarHBondContact OD2-ND1 3.3Å
311L80.7Confident89.4Confident16 Ų1689.2 Ų89.28%0.08443%0.429CS..EExtended strand (participates in β ladder)trans-60.3-21.8175-60.5175.6000112.6Q212 L248 D307 L308Q212-L311 WeakPolarHBondContact CG-O 3.34Å; L248-L311 HydrophobicContact CD2-CD1 3.68Å; D307-L311 PolarHBondContact O-N 3.08Å; L308-L311 HydrophobicContact CD2-CD2 4.4Å
312R77Confident89.4Confident198 Ų19887.3 Ų87.375%0.74743%0.43SS*.EExtended strand (participates in β ladder)trans-72.7-37.7-174.8-73.3-176.4173.7178.5-1.1111.9R208 D310R208-R312 PolarHBondContact NH1-O 2.66Å; D310-R312 PolarHBondContact O-N 3.43Å; D310-R312 VanDerWaalsContact O-N 3.11Å; D310-R312 PolarHBondContact OD1-N 3.25Å
313H83.4Confident89.4Confident142 Ų14288 Ų8866%0.65743%0.433SS*.EExtended strand (participates in β ladder)trans-93.58.1-176.5-62.197.8000114.5D310 K315D310-H313 PolarHBondContact O-N 3.01Å; D310-H313 IonicContact OD1-CE1 3.67Å; D310-H313 IonicContact OD1-CG 2.64Å; D310-H313 PolarHBondContact OD1-N 3.5Å; D310-H313 IonicContact OD1-ND1 3.5Å; D310-H313 PolarHBondContact OD1-ND1 2.86Å; D310-H313 IonicContact OD2-CE1 3.59Å; D310-H313 IonicContact OD2-CG 3.53Å; D310-H313 IonicContact OD2-ND1 3.17Å; D310-H313 PolarHBondContact OD2-ND1 3.3Å; H313-K315 PolarHBondContact O-N 3.37Å
314A90.2Very high89.5Confident4 Ų485.6 Ų85.63%0.03342%0.423CS..EExtended strand (participates in β ladder)trans-50.5134.6172.200000112.1R208 Q212 L304 E305 Q306R208-A314 WeakPolarHBondContact CD-O 3.34Å; R208-A314 PolarHBondContact NH1-O 3.3Å; Q212-A314 HydrophobicContact CG-CB 3.75Å; L304-A314 HydrophobicContact CD1-CB 4.12Å; E305-A314 CarbonylContact O-C 3.41Å; E305-A314 VanDerWaalsContact O-CA 3.31Å; E305-A314 WeakPolarHBondContact O-CA 3.3Å; Q306-A314 HydrophobicContact CB-CB 3.63Å
315K92.6Very high89.7Confident123 Ų12384.4 Ų84.454%0.53542%0.416SS..EExtended strand (participates in β ladder)trans-106.4141-176.4-66.2-179.8-177.7173.20109.8E305 H313 Y317E305-K315 PolarHBondContact N-O 3.41Å; E305-K315 PolarHBondContact O-N 3.3Å; H313-K315 PolarHBondContact O-N 3.37Å; K315-Y317 HydrophobicContact CB-CE2 3.95Å; K315-Y317 VanDerWaalsContact CD-OH 3.32Å; K315-Y317 WeakPolarHBondContact CD-OH 3.44Å
316A94.9Very high90Very high24 Ų2482.9 Ų82.920%0.19842%0.416CS..EExtended strand (participates in β ladder)trans-114130.6176.300000108.8R207 R208 N302 I303 L304R207-A316 VanDerWaalsContact O-CB 3.25Å; R207-A316 WeakPolarHBondContact O-CB 3.34Å; R208-A316 HydrophobicContact CG-CB 3.92Å; N302-A316 HydrophobicContact CB-CB 4.01Å; I303-A316 WeakPolarHBondContact O-CA 3.21Å; L304-A316 HydrophobicContact CD1-CB 4.47Å
317Y95.7Very high90.6Very high110 Ų11080.7 Ų80.743%0.43141%0.406SS..EExtended strand (participates in β ladder)trans-114.6125.8179.3-58.6-81.8000109.8N302 I303 E305 K315N302-Y317 CarbonylContact C-O 3.58Å; N302-Y317 WeakPolarHBondContact CA-O 3.48Å; I303-Y317 PolarHBondContact N-O 2.92Å; I303-Y317 PolarHBondContact O-N 3.2Å; E305-Y317 HydrophobicContact CB-CD2 4.32Å; E305-Y317 HydrophobicContact CB-CE2 3.65Å; E305-Y317 HydrophobicContact CG-CE2 4.48Å; E305-Y317 WeakPolarHBondContact OE2-CE2 3.41Å; E305-Y317 PolarHBondContact OE2-OH 3.37Å; K315-Y317 HydrophobicContact CB-CE2 3.95Å; K315-Y317 VanDerWaalsContact CD-OH 3.32Å; K315-Y317 WeakPolarHBondContact CD-OH 3.44Å
318P95.3Very high91.4Very high85 Ų8576.6 Ų76.655%0.55239%0.385SS*.EExtended strand (participates in β ladder)trans-67.5142.6177.529.9-34.6000110.8T300 N302T300-P318 WeakPolarHBondContact OG1-CB 3.39Å; N302-P318 VanDerWaalsContact OD1-CA 3.28Å; N302-P318 WeakPolarHBondContact OD1-CA 3.36Å
319T96.9Very high92.6Very high34 Ų3472.4 Ų72.421%0.20936%0.363CS..EExtended strand (participates in β ladder)trans-105.8177.6171.769.10000110.8R301 I303 L321R301-T319 WeakPolarHBondContact O-CB 3.39Å; R301-T319 WeakPolarHBondContact O-CG2 3.21Å; R301-T319 PolarHBondContact O-N 3.24Å; R301-T319 PolarHBondContact O-OG1 3.09Å; I303-T319 HydrophobicContact CD1-CG2 3.56Å; I303-T319 HydrophobicContact CG1-CG2 3.59Å; T319-L321 VanDerWaalsContact C-N 3.25Å; T319-L321 PolarHBondContact O-N 2.99Å; T319-L321 PolarHBondContact OG1-N 3.44Å
320D95.6Very high93.5Very high165 Ų16563.1 Ų63.188%0.88232%0.322SS*.EExtended strand (participates in β ladder)trans-76.5-11.8174.5-60.7-38.4000113.5T322D320-T322 PolarHBondContact O-N 2.84Å
321L97.7Very high94.3Very high116 Ų11660.2 Ų60.261%0.60731%0.307SS*.EExtended strand (participates in β ladder)trans-73.7124.4177.8-62.7176.5000110.1T300 R301 T319T300-L321 CarbonylContact C-O 3.58Å; T300-L321 WeakPolarHBondContact CA-O 3.06Å; R301-L321 HydrophobicContact CB-CB 4.15Å; R301-L321 HydrophobicContact CG-CB 4.33Å; R301-L321 PolarHBondContact N-O 2.81Å; T319-L321 VanDerWaalsContact C-N 3.25Å; T319-L321 PolarHBondContact O-N 2.99Å; T319-L321 PolarHBondContact OG1-N 3.44Å
322T97.8Very high95.1Very high72 Ų7260.6 Ų60.644%0.44231%0.307SS..EExtended strand (participates in β ladder)trans-111.9155.4-179.357.80000113K286 T298 F299 T300 D320K286-T322 HydrophobicContact CD-CG2 4.36Å; T298-T322 HydrophobicContact CG2-CG2 4.24Å; F299-T322 CarbonylContact O-C 3.47Å; F299-T322 WeakPolarHBondContact O-CA 3.07Å; F299-T322 WeakPolarHBondContact O-CB 3.36Å; T300-T322 HydrophobicContact CG2-CG2 4.31Å; D320-T322 PolarHBondContact O-N 2.84Å
323E97.6Very high96.1Very high24 Ų2452.1 Ų52.111%0.11228%0.278CS..EExtended strand (participates in β ladder)trans-134.1132.5171.1-174.2170.6139.700108.1R234 R280 L283 F299 R301R234-E323 IonicContact CZ-OE1 2.75Å; R234-E323 IonicContact CZ-OE2 3.69Å; R234-E323 IonicContact NH1-OE1 3.79Å; R234-E323 IonicContact NH1-OE2 3.6Å; R234-E323 PolarHBondContact NH1-OE2 2.83Å; R234-E323 IonicContact NH2-OE1 2.69Å; R234-E323 PolarHBondContact NH2-OE1 2.95Å; R234-E323 IonicContact NH2-OE2 3.28Å; R280-E323 IonicContact CZ-OE1 3.73Å; R280-E323 IonicContact NE-OE1 2.81Å; R280-E323 IonicContact NH1-OE1 2.67Å; R280-E323 PolarHBondContact NH1-OE1 3.35Å; L283-E323 HydrophobicContact CD2-CB 4.35Å; F299-E323 PolarHBondContact N-O 3.02Å; F299-E323 PolarHBondContact O-N 3.39Å; R301-E323 IonicContact CZ-OE2 2.71Å; R301-E323 IonicContact NE-OE2 3.62Å; R301-E323 IonicContact NH2-OE2 2.73Å; R301-E323 PolarHBondContact NH2-OE2 2.6Å
324V98.2Very high96.6Very high59 Ų5948.7 Ų48.736%0.35826%0.262SS..EExtended strand (participates in β ladder)trans-109.6127.7178.4-177.80000109.3R296 V297 T298R296-V324 HydrophobicContact CB-CG1 3.96Å; V297-V324 WeakPolarHBondContact O-CA 3.01Å; T298-V324 HydrophobicContact CG2-CG2 4.36Å
325I98Very high96.7Very high6 Ų650 Ų503%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-118.1115.2179.1-52.8179.8000108.7V159 I203 I205 V297 F299V159-I325 HydrophobicContact CG2-CG2 3.92Å; I203-I325 HydrophobicContact CD1-CG2 3.87Å; I205-I325 HydrophobicContact CD1-CD1 3.9Å; V297-I325 PolarHBondContact N-O 3.36Å; V297-I325 PolarHBondContact O-N 2.9Å; F299-I325 HydrophobicContact CD2-CB 4.5Å; F299-I325 HydrophobicContact CD2-CD1 3.81Å; F299-I325 HydrophobicContact CD2-CG1 3.91Å; F299-I325 HydrophobicContact CE2-CB 3.97Å; F299-I325 HydrophobicContact CE2-CD1 3.55Å; F299-I325 HydrophobicContact CE2-CG1 3.78Å; F299-I325 HydrophobicContact CZ-CD1 4.38Å
326P97.8Very high96.7Very high77 Ų7745.1 Ų45.150%0.525%0.254SS..EExtended strand (participates in β ladder)trans-73.3137.4170.130.2-32.7000110.5C295C295-P326 WeakPolarHBondContact O-CA 3.38Å
327C98.3Very high96.6Very high6 Ų647.6 Ų47.64%0.04126%0.258CS..EExtended strand (participates in β ladder)trans-150.5155.2175.260.20000112.2T157 V159 C295T157-C327 HydrophobicContact CG2-CB 4.14Å; T157-C327 CarbonylContact O-C 3.47Å; T157-C327 WeakPolarHBondContact O-CA 3.19Å; T157-C327 VanDerWaalsContact O-CB 3.29Å; T157-C327 WeakPolarHBondContact O-CB 3.32Å; V159-C327 HydrophobicContact CB-CB 4.28Å; V159-C327 HydrophobicContact CG2-CB 3.6Å; C295-C327 PolarHBondContact N-O 3.41Å; C295-C327 PolarHBondContact O-N 2.8Å; C295-C327 PolarHBondContact SG-O 3.28Å; C295-C327 PolarHBondContact SG-SG 2.92Å
328S97.8Very high96.4Very high3 Ų342.5 Ų42.52%0.02124%0.238CC..SBendtrans-90.3-18.117449.60000112.8N128 G155 T157N128-S328 PolarHBondContact ND2-O 2.96Å; G155-S328 WeakPolarHBondContact CA-OG 3.31Å; G155-S328 PolarHBondContact O-OG 3.49Å; T157-S328 PolarHBondContact O-N 3.46Å; T157-S328 PolarHBondContact O-OG 3.02Å; T157-S328 VanDerWaalsContact O-OG 3.11Å
329L98.2Very high96.3Very high0 Ų041.1 Ų41.10%023%0.228CC..EExtended strand (participates in β ladder)trans-142.3131-179173.165.2000110.3N128 F130 L152 A158 V159 F174 V331N128-L329 WeakPolarHBondContact O-CD1 3.43Å; F130-L329 HydrophobicContact CD2-CD1 3.91Å; F130-L329 HydrophobicContact CE2-CD1 4.2Å; L152-L329 HydrophobicContact CD2-CD2 3.6Å; A158-L329 CarbonylContact C-O 3.59Å; A158-L329 VanDerWaalsContact CA-O 3.31Å; A158-L329 WeakPolarHBondContact CA-O 3.21Å; A158-L329 HydrophobicContact CB-CB 4.01Å; A158-L329 HydrophobicContact CB-CD2 4Å; A158-L329 HydrophobicContact CB-CG 4.23Å; V159-L329 PolarHBondContact N-O 3.31Å; F174-L329 HydrophobicContact CD2-CD2 4.19Å; F174-L329 HydrophobicContact CE2-CD2 3.42Å; F174-L329 VanDerWaalsContact CE2-CD2 3.42Å; F174-L329 HydrophobicContact CZ-CD2 3.67Å; L329-V331 HydrophobicContact CD1-CG2 4.25Å; L329-V331 HydrophobicContact CD2-CG2 4.31Å; L329-V331 HydrophobicContact CG-CG2 4.1Å
330L98.1Very high96.1Very high0 Ų040.6 Ų40.60%022%0.224CC..EExtended strand (participates in β ladder)trans-115.7124.8172.4-178.864.1000110.5L119 N128 C129 F130 V159 L161 F285 I288 V297L119-L330 HydrophobicContact CD2-CD2 4.15Å; N128-L330 PolarHBondContact O-N 3.44Å; N128-L330 VanDerWaalsContact O-N 3.15Å; C129-L330 CarbonylContact C-O 3.32Å; C129-L330 WeakPolarHBondContact CA-O 3.34Å; C129-L330 HydrophobicContact CB-CB 4.26Å; F130-L330 PolarHBondContact N-O 2.81Å; V159-L330 HydrophobicContact CB-CD1 3.86Å; V159-L330 HydrophobicContact CG1-CD1 3.66Å; V159-L330 CarbonylContact O-C 3.07Å; V159-L330 WeakPolarHBondContact O-CA 3.31Å; L161-L330 HydrophobicContact CD1-CD1 4.04Å; L161-L330 HydrophobicContact CD1-CD2 4.34Å; L161-L330 HydrophobicContact CD1-CG 4.49Å; L161-L330 HydrophobicContact CD2-CD1 3.95Å; L161-L330 HydrophobicContact CG-CD1 3.74Å; F285-L330 HydrophobicContact CE2-CD2 4.19Å; I288-L330 HydrophobicContact CD1-CD2 3.7Å; V297-L330 HydrophobicContact CG2-CD1 4.26Å; V297-L330 HydrophobicContact CG2-CD2 4.11Å
331V98.4Very high96.1Very high0 Ų034.4 Ų34.40%019%0.191CC..EExtended strand (participates in β ladder)trans-118.2122.7174.5-177.10000110.4F130 A132 I135 V159 I160 L161 V170 F174 L329F130-V331 CarbonylContact O-C 3.35Å; F130-V331 WeakPolarHBondContact O-CA 3.45Å; A132-V331 HydrophobicContact CB-CG1 3.96Å; I135-V331 HydrophobicContact CG1-CG1 4.1Å; I135-V331 HydrophobicContact CG1-CG2 4.03Å; V159-V331 PolarHBondContact O-N 3.36Å; I160-V331 CarbonylContact C-O 3.48Å; I160-V331 WeakPolarHBondContact CA-O 3.3Å; I160-V331 HydrophobicContact CG1-CB 4.25Å; L161-V331 PolarHBondContact N-O 3.24Å; V170-V331 HydrophobicContact CG1-CG1 4.4Å; F174-V331 HydrophobicContact CE2-CG2 4.06Å; F174-V331 HydrophobicContact CZ-CG2 4.41Å; L329-V331 HydrophobicContact CD1-CG2 4.25Å; L329-V331 HydrophobicContact CD2-CG2 4.31Å; L329-V331 HydrophobicContact CG-CG2 4.1Å
332Y98.1Very high95.9Very high24 Ų2430.7 Ų30.79%0.09417%0.17CC..EExtended strand (participates in β ladder)trans-99.2122.5175.862-85000112.1E116 R117 L119 P123 F130 S131 A132 F334E116-Y332 HydrophobicContact CG-CE2 4.22Å; R117-Y332 WeakPolarHBondContact O-CE2 3.38Å; L119-Y332 HydrophobicContact CB-CD1 3.99Å; L119-Y332 HydrophobicContact CB-CD2 4.08Å; L119-Y332 HydrophobicContact CB-CE1 4.24Å; L119-Y332 HydrophobicContact CB-CE2 4.32Å; L119-Y332 HydrophobicContact CB-CG 3.91Å; L119-Y332 HydrophobicContact CD2-CD1 4.13Å; L119-Y332 HydrophobicContact CD2-CG 4.49Å; P123-Y332 HydrophobicContact CG-CE1 4.14Å; F130-Y332 WeakPolarHBondContact O-CD1 3.44Å; F130-Y332 WeakPolarHBondContact O-CE1 3.24Å; F130-Y332 PolarHBondContact O-N 3.12Å; S131-Y332 CarbonylContact C-O 3.52Å; S131-Y332 WeakPolarHBondContact CA-O 3.47Å; S131-Y332 VanDerWaalsContact CB-CE2 3.42Å; S131-Y332 VanDerWaalsContact N-CE1 3.28Å; A132-Y332 PolarHBondContact N-O 3.35Å; Y332-F334 HydrophobicContact CD2-CD2 4.21Å
333S97.4Very high95.5Very high20 Ų2032.3 Ų32.314%0.1418%0.182CC..  trans-118.764.8-174.5-163.60000110.8A132 L161 G335A132-S333 WeakPolarHBondContact CB-OG 3.3Å; L161-S333 CarbonylContact O-C 3.5Å; L161-S333 WeakPolarHBondContact O-CA 3.26Å; L161-S333 WeakPolarHBondContact O-CB 3.38Å; L161-S333 PolarHBondContact O-N 2.91Å; S333-G335 VanDerWaalsContact C-N 3.31Å
334F94.3Very high95.1Very high71 Ų7135.4 Ų35.431%0.31122%0.22SC..  trans-90.66.5-176.5-61.9-23.5000114.5R117 L119 L161 Y332R117-F334 HydrophobicContact CB-CB 3.85Å; R117-F334 WeakPolarHBondContact CD-O 3.4Å; L119-F334 HydrophobicContact CB-CE2 4.4Å; L119-F334 HydrophobicContact CD1-CE2 3.45Å; L119-F334 VanDerWaalsContact CD1-CE2 3.45Å; L119-F334 HydrophobicContact CD1-CZ 3.68Å; L161-F334 HydrophobicContact CB-CE1 3.52Å; L161-F334 HydrophobicContact CB-CZ 3.81Å; L161-F334 HydrophobicContact CD1-CE1 4.5Å; L161-F334 HydrophobicContact CD1-CZ 3.92Å; Y332-F334 HydrophobicContact CD2-CD2 4.21Å
335G91.2Very high94.7Very high31 Ų3135.5 Ų35.532%0.3222%0.219SC..  trans90.3163.8-178.600000113.3R117 S333R117-G335 PolarHBondContact N-O 2.63Å; R117-G335 VanDerWaalsContact N-O 3.13Å; S333-G335 VanDerWaalsContact C-N 3.31Å
336Y92.8Very high94.6Very high21 Ų2135.7 Ų35.78%0.08222%0.219CC..EExtended strand (participates in β ladder)trans-75.9169.8179.9-71.7-109000111.3L53 A113 E115 R133 V166 W374 P379L53-Y336 HydrophobicContact CD2-CE1 4.14Å; A113-Y336 WeakPolarHBondContact O-CD1 3.36Å; E115-Y336 CarbonylContact O-C 3.57Å; E115-Y336 WeakPolarHBondContact O-CA 3.26Å; R133-Y336 HydrophobicContact CB-CE1 4.19Å; R133-Y336 HydrophobicContact CG-CD1 4.27Å; R133-Y336 HydrophobicContact CG-CE1 3.54Å; V166-Y336 HydrophobicContact CG2-CE2 4.42Å; Y336-W374 HydrophobicContact CD1-CZ3 4.29Å; Y336-W374 HydrophobicContact CD2-CH2 4.27Å; Y336-W374 AromaticContact CD2-CZ3 3.99Å; Y336-W374 HydrophobicContact CD2-CZ3 3.99Å; Y336-W374 AromaticContact CG-CZ3 3.86Å; Y336-W374 HydrophobicContact CG-CZ3 3.86Å; Y336-P379 VanDerWaalsContact O-CG 3.31Å; Y336-P379 WeakPolarHBondContact O-CG 3.41Å
337R92.4Very high94.5Very high76 Ų7633.7 Ų33.729%0.28721%0.206SC..EExtended strand (participates in β ladder)trans-142.2131.8176.3-178.817786.8174.16.8109.6A113 Q114 E115 R353A113-R337 CarbonylContact C-O 3.57Å; A113-R337 VanDerWaalsContact CB-C 3.49Å; Q114-R337 PolarHBondContact N-O 2.81Å; Q114-R337 VanDerWaalsContact N-O 3.14Å; E115-R337 HydrophobicContact CB-CB 4.24Å; E115-R337 PolarHBondContact N-O 3.07Å; E115-R337 VanDerWaalsContact N-O 3.08Å; E115-R337 PolarHBondContact O-N 2.99Å; E115-R337 IonicContact OE2-CZ 3.66Å; E115-R337 IonicContact OE2-NE 3.76Å; E115-R337 PolarHBondContact OE2-NE 2.73Å; E115-R337 IonicContact OE2-NH2 2.67Å; E115-R337 PolarHBondContact OE2-NH2 2.68Å; R337-R353 HydrophobicContact CG-CB 4.06Å; R337-R353 HydrophobicContact CG-CG 3.98Å
338S92.6Very high94.4Very high2 Ų235 Ų351%0.01421%0.212CC..  trans-81.2147.4171.9-39.30000109.9G112 A113 R353 W374G112-S338 WeakPolarHBondContact O-CB 3.47Å; G112-S338 PolarHBondContact O-OG 3.18Å; A113-S338 WeakPolarHBondContact CB-OG 3.34Å; S338-R353 VanDerWaalsContact CB-O 3.28Å; S338-R353 WeakPolarHBondContact CB-O 3.16Å; S338-W374 PolarHBondContact OG-O 2.72Å; S338-W374 VanDerWaalsContact OG-O 3.07Å
339V92.6Very high94.3Very high56 Ų5636.4 Ų36.434%0.33922%0.219SC..  trans-112.7143.5177.6-175.40000108F111 E115 I341F111-V339 VanDerWaalsContact CE2-O 3.24Å; F111-V339 WeakPolarHBondContact CE2-O 3.41Å; E115-V339 HydrophobicContact CB-CG2 4.32Å; E115-V339 HydrophobicContact CG-CG2 3.56Å; E115-V339 WeakPolarHBondContact OE1-CG2 3.31Å; E115-V339 VanDerWaalsContact OE2-CG2 3.26Å; E115-V339 WeakPolarHBondContact OE2-CG2 3.24Å; V339-I341 PolarHBondContact O-N 2.95Å; V339-I341 VanDerWaalsContact O-N 3.15Å
340N93.4Very high94Very high24 Ų2439.9 Ų39.913%0.12824%0.241CC..  trans-70.8109.2168.5-170.6-15.9000108.3E342 P343 L346 F348N340-E342 PolarHBondContact O-N 3.2Å; N340-E342 PolarHBondContact OD1-N 3.43Å; N340-E342 PolarHBondContact OD1-O 2.84Å; N340-P343 HydrophobicContact CB-CG 4.41Å; N340-P343 WeakPolarHBondContact O-CD 3.41Å; N340-L346 PolarHBondContact ND2-O 2.84Å; N340-F348 HydrophobicContact CB-CB 4.31Å; N340-F348 HydrophobicContact CB-CD1 4.19Å; N340-F348 HydrophobicContact CB-CD2 3.96Å; N340-F348 HydrophobicContact CB-CE1 4.47Å; N340-F348 HydrophobicContact CB-CE2 4.27Å; N340-F348 HydrophobicContact CB-CG 3.91Å; N340-F348 WeakPolarHBondContact ND2-CB 3Å
341I94.5Very high93.7Very high35 Ų3548.2 Ų48.218%0.17928%0.28CS..SBendtrans-68.4-18.9-178.561.9169.6000112.9V19 V91 V97 F111 V339 L346V19-I341 HydrophobicContact CG1-CD1 4.1Å; V91-I341 HydrophobicContact CG1-CD1 4.37Å; V97-I341 HydrophobicContact CG2-CD1 4.07Å; F111-I341 HydrophobicContact CD1-CD1 3.69Å; F111-I341 HydrophobicContact CD1-CG1 4.22Å; F111-I341 HydrophobicContact CD1-CG2 4.21Å; F111-I341 HydrophobicContact CD2-CG2 3.97Å; F111-I341 HydrophobicContact CE1-CD1 3.88Å; F111-I341 HydrophobicContact CE1-CG1 4Å; F111-I341 HydrophobicContact CE1-CG2 4.38Å; F111-I341 HydrophobicContact CE2-CG2 4.15Å; F111-I341 HydrophobicContact CG-CD1 4.41Å; F111-I341 HydrophobicContact CG-CG2 4Å; F111-I341 HydrophobicContact CZ-CG1 4.44Å; F111-I341 HydrophobicContact CZ-CG2 4.34Å; V339-I341 PolarHBondContact O-N 2.95Å; V339-I341 VanDerWaalsContact O-N 3.15Å; I341-L346 HydrophobicContact CD1-CD1 4.4Å; I341-L346 HydrophobicContact CG1-CD1 3.77Å
342E93.6Very high93.3Very high37 Ų3755.2 Ų55.217%0.17331%0.31CS..SBendtrans-143.576.8177.2-158.6169.2159.900110.3S96 V97 N340 G344 L345 L346S96-E342 VanDerWaalsContact CB-OE1 3.31Å; S96-E342 WeakPolarHBondContact CB-OE1 3.47Å; V97-E342 WeakPolarHBondContact CB-OE2 3.35Å; V97-E342 WeakPolarHBondContact CG2-OE2 3.04Å; V97-E342 PolarHBondContact N-OE2 3.38Å; N340-E342 PolarHBondContact O-N 3.2Å; N340-E342 PolarHBondContact OD1-N 3.43Å; N340-E342 PolarHBondContact OD1-O 2.84Å; E342-G344 PolarHBondContact O-N 3.06Å; E342-L345 HydrophobicContact CB-CB 4.37Å; E342-L345 VanDerWaalsContact CD-CD2 3.4Å; E342-L345 HydrophobicContact CG-CB 3.98Å; E342-L345 HydrophobicContact CG-CD2 4.18Å; E342-L345 PolarHBondContact O-N 3.25Å; E342-L345 VanDerWaalsContact O-N 3.13Å; E342-L345 WeakPolarHBondContact OE1-CD2 3.35Å; E342-L346 HydrophobicContact CB-CD1 4.43Å; E342-L346 HydrophobicContact CB-CG 4.49Å; E342-L346 PolarHBondContact O-N 2.7Å
343P91.1Very high93.1Very high107 Ų10758.9 Ų58.970%0.69532%0.324SS*.THydrogen-bonded Turntrans-53.9135.8-179.9-25.235.2000112.3N340 L345N340-P343 HydrophobicContact CB-CG 4.41Å; N340-P343 WeakPolarHBondContact O-CD 3.41Å; P343-L345 VanDerWaalsContact C-N 3.29Å; P343-L345 PolarHBondContact O-N 2.62Å
344G88.2Confident93.1Very high89 Ų8959.1 Ų59.192%0.91832%0.323SS*.THydrogen-bonded Turntrans87.7-20.9-177.800000114.7E342E342-G344 PolarHBondContact O-N 3.06Å
345L90.8Very high93.3Very high61 Ų6155.8 Ų55.832%0.31931%0.309SS..THydrogen-bonded Turntrans-96.1-47.4174.1-175.167.1000112.3V97 R98 E342 P343V97-L345 HydrophobicContact CB-CD2 4.16Å; R98-L345 HydrophobicContact CB-CD2 4.07Å; E342-L345 HydrophobicContact CB-CB 4.37Å; E342-L345 VanDerWaalsContact CD-CD2 3.4Å; E342-L345 HydrophobicContact CG-CB 3.98Å; E342-L345 HydrophobicContact CG-CD2 4.18Å; E342-L345 PolarHBondContact O-N 3.25Å; E342-L345 VanDerWaalsContact O-N 3.13Å; E342-L345 WeakPolarHBondContact OE1-CD2 3.35Å; P343-L345 VanDerWaalsContact C-N 3.29Å; P343-L345 PolarHBondContact O-N 2.62Å
346L95.6Very high93.6Very high9 Ų957 Ų575%0.04731%0.308CS..SBendtrans-89.8132.7-175.1-64.1176.3000112V97 L109 N340 I341 E342 F348 I355 L369V97-L346 HydrophobicContact CG1-CD2 4.14Å; V97-L346 HydrophobicContact CG2-CD1 4.32Å; L109-L346 HydrophobicContact CD1-CD1 3.98Å; L109-L346 HydrophobicContact CD1-CD2 3.8Å; N340-L346 PolarHBondContact ND2-O 2.84Å; I341-L346 HydrophobicContact CD1-CD1 4.4Å; I341-L346 HydrophobicContact CG1-CD1 3.77Å; E342-L346 HydrophobicContact CB-CD1 4.43Å; E342-L346 HydrophobicContact CB-CG 4.49Å; E342-L346 PolarHBondContact O-N 2.7Å; L346-F348 PolarHBondContact O-N 2.86Å; L346-I355 HydrophobicContact CB-CD1 3.81Å; L346-I355 HydrophobicContact CD1-CD1 3.86Å; L346-I355 HydrophobicContact CG-CD1 4.37Å; L346-L369 HydrophobicContact CD2-CD1 4.14Å
347P95.9Very high93.8Very high35 Ų3557.9 Ų57.923%0.22732%0.316CS..  trans-70.1116.1175.633-38.1000109.6I355 L356 V363 K364P347-I355 WeakPolarHBondContact O-CA 3.45Å; P347-L356 HydrophobicContact CB-CB 4.15Å; P347-L356 HydrophobicContact CB-CD1 4.24Å; P347-L356 HydrophobicContact CG-CB 4.44Å; P347-L356 PolarHBondContact O-N 3.24Å; P347-V363 HydrophobicContact CG-CG1 3.4Å; P347-K364 HydrophobicContact CG-CB 4.34Å; P347-K364 WeakPolarHBondContact CG-O 3.39Å
348F96Very high94Very high35 Ų3556.8 Ų56.815%0.15432%0.315CS..EExtended strand (participates in β ladder)trans-134.8130.8-169.6-169.6-95.5000111.3N340 L346 P350 R353 I354 I355N340-F348 HydrophobicContact CB-CB 4.31Å; N340-F348 HydrophobicContact CB-CD1 4.19Å; N340-F348 HydrophobicContact CB-CD2 3.96Å; N340-F348 HydrophobicContact CB-CE1 4.47Å; N340-F348 HydrophobicContact CB-CE2 4.27Å; N340-F348 HydrophobicContact CB-CG 3.91Å; N340-F348 WeakPolarHBondContact ND2-CB 3Å; L346-F348 PolarHBondContact O-N 2.86Å; F348-P350 WeakPolarHBondContact O-CD 3.49Å; F348-R353 HydrophobicContact CE1-CB 4.21Å; F348-R353 VanDerWaalsContact CZ-CA 3.43Å; F348-R353 HydrophobicContact CZ-CB 3.95Å; F348-I354 CarbonylContact C-O 3.53Å; F348-I354 WeakPolarHBondContact CA-O 3.35Å; F348-I354 VanDerWaalsContact CD2-C 3.49Å; F348-I354 WeakPolarHBondContact CD2-O 3.08Å; F348-I355 HydrophobicContact CD2-CD1 3.94Å; F348-I355 HydrophobicContact CD2-CG1 4.42Å
349D95.8Very high94.1Very high31 Ų3164.1 Ų64.117%0.16635%0.354CS..EExtended strand (participates in β ladder)trans-77.4115.1175.4-173-40.5000109.8H351 K352 R353 I354 L356D349-H351 VanDerWaalsContact C-N 3.26Å; D349-H351 PolarHBondContact O-N 3.41Å; D349-H351 WeakPolarHBondContact OD1-CA 3.18Å; D349-H351 WeakPolarHBondContact OD1-CB 3.25Å; D349-H351 PolarHBondContact OD1-N 2.86Å; D349-K352 HydrophobicContact CB-CB 4.09Å; D349-K352 PolarHBondContact OD1-N 3.48Å; D349-K352 WeakPolarHBondContact OD2-CD 3.35Å; D349-K352 WeakPolarHBondContact OD2-CG 3.32Å; D349-R353 WeakPolarHBondContact O-CA 3.32Å; D349-R353 PolarHBondContact O-N 3.3Å; D349-I354 HydrophobicContact CB-CG1 4.08Å; D349-I354 PolarHBondContact N-O 2.9Å; D349-L356 HydrophobicContact CB-CD2 3.91Å
350P91.3Very high94.3Very high73 Ų7364.2 Ų64.247%0.47435%0.349SS..THydrogen-bonded Turntrans-71.3-18.6-178.329.9-35.5000113.5F348 R353F348-P350 WeakPolarHBondContact O-CD 3.49Å; P350-R353 VanDerWaalsContact O-CD 3.31Å; P350-R353 WeakPolarHBondContact O-CD 3.38Å; P350-R353 PolarHBondContact O-NE 2.62Å; P350-R353 PolarHBondContact O-NH2 2.91Å
351H91.5Very high94.5Very high176 Ų17663.3 Ų63.382%0.81535%0.345SS*.THydrogen-bonded Turntrans-91.7-51.5179.3-61.8-73.3000111.4D349 R353D349-H351 VanDerWaalsContact C-N 3.26Å; D349-H351 PolarHBondContact O-N 3.41Å; D349-H351 WeakPolarHBondContact OD1-CA 3.18Å; D349-H351 WeakPolarHBondContact OD1-CB 3.25Å; D349-H351 PolarHBondContact OD1-N 2.86Å; H351-R353 VanDerWaalsContact C-N 3.31Å
352K91.2Very high94.7Very high146 Ų14665 Ų6564%0.63535%0.349SS*.THydrogen-bonded Turntrans-76.6-20.3178.4-65.9-178.8-174.5173.10112.9D349 I354D349-K352 HydrophobicContact CB-CB 4.09Å; D349-K352 PolarHBondContact OD1-N 3.48Å; D349-K352 WeakPolarHBondContact OD2-CD 3.35Å; D349-K352 WeakPolarHBondContact OD2-CG 3.32Å; K352-I354 HydrophobicContact CB-CD1 3.96Å; K352-I354 HydrophobicContact CB-CG1 3.78Å; K352-I354 HydrophobicContact CD-CD1 3.98Å
353R94.3Very high94.9Very high102 Ų10263.4 Ų63.439%0.38534%0.342SS..THydrogen-bonded Turntrans59.150.9-178.3-56.4-67.2-174.5179.5-5.8112.1R337 S338 F348 D349 P350 H351R337-R353 HydrophobicContact CG-CB 4.06Å; R337-R353 HydrophobicContact CG-CG 3.98Å; S338-R353 VanDerWaalsContact CB-O 3.28Å; S338-R353 WeakPolarHBondContact CB-O 3.16Å; F348-R353 HydrophobicContact CE1-CB 4.21Å; F348-R353 VanDerWaalsContact CZ-CA 3.43Å; F348-R353 HydrophobicContact CZ-CB 3.95Å; D349-R353 WeakPolarHBondContact O-CA 3.32Å; D349-R353 PolarHBondContact O-N 3.3Å; P350-R353 VanDerWaalsContact O-CD 3.31Å; P350-R353 WeakPolarHBondContact O-CD 3.38Å; P350-R353 PolarHBondContact O-NE 2.62Å; P350-R353 PolarHBondContact O-NH2 2.91Å; H351-R353 VanDerWaalsContact C-N 3.31Å
354I96.6Very high95.1Very high24 Ų2464.1 Ų64.112%0.12333%0.334CS..EExtended strand (participates in β ladder)trans-136.7154.9-179.658.2174.9000110.9F348 D349 K352 C375 A376F348-I354 CarbonylContact C-O 3.53Å; F348-I354 WeakPolarHBondContact CA-O 3.35Å; F348-I354 VanDerWaalsContact CD2-C 3.49Å; F348-I354 WeakPolarHBondContact CD2-O 3.08Å; D349-I354 HydrophobicContact CB-CG1 4.08Å; D349-I354 PolarHBondContact N-O 2.9Å; K352-I354 HydrophobicContact CB-CD1 3.96Å; K352-I354 HydrophobicContact CB-CG1 3.78Å; K352-I354 HydrophobicContact CD-CD1 3.98Å; I354-C375 CarbonylContact C-O 3.56Å; I354-C375 VanDerWaalsContact CA-O 3.26Å; I354-C375 WeakPolarHBondContact CA-O 3.39Å; I354-C375 WeakPolarHBondContact CB-O 3.47Å; I354-A376 WeakPolarHBondContact CD1-O 3.22Å
355I97.4Very high95.4Very high1 Ų164.5 Ų64.51%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-66.5134.8166.3-60-71000108.7L109 F111 L346 P347 F348 T357 V363 A371 C375L109-I355 HydrophobicContact CD1-CD1 4.39Å; L109-I355 HydrophobicContact CD1-CG1 4.47Å; F111-I355 HydrophobicContact CE1-CD1 4.39Å; F111-I355 HydrophobicContact CE1-CG1 4.2Å; F111-I355 HydrophobicContact CZ-CD1 4.02Å; F111-I355 HydrophobicContact CZ-CG1 3.81Å; L346-I355 HydrophobicContact CB-CD1 3.81Å; L346-I355 HydrophobicContact CD1-CD1 3.86Å; L346-I355 HydrophobicContact CG-CD1 4.37Å; P347-I355 WeakPolarHBondContact O-CA 3.45Å; F348-I355 HydrophobicContact CD2-CD1 3.94Å; F348-I355 HydrophobicContact CD2-CG1 4.42Å; I355-T357 HydrophobicContact CG2-CG2 4.37Å; I355-T357 PolarHBondContact O-N 3.43Å; I355-V363 HydrophobicContact CG2-CB 4.44Å; I355-V363 HydrophobicContact CG2-CG1 3.93Å; I355-V363 HydrophobicContact CG2-CG2 3.81Å; I355-A371 HydrophobicContact CB-CB 4.21Å; I355-A371 HydrophobicContact CG2-CB 4.01Å; I355-C375 PolarHBondContact N-O 3.17Å
356L97.5Very high95.5Very high57 Ų5763.5 Ų63.530%0.29834%0.336SS..  trans-79117.7177.6-64.1176.1000110.1P347 D349 K364P347-L356 HydrophobicContact CB-CB 4.15Å; P347-L356 HydrophobicContact CB-CD1 4.24Å; P347-L356 HydrophobicContact CG-CB 4.44Å; P347-L356 PolarHBondContact O-N 3.24Å; D349-L356 HydrophobicContact CB-CD2 3.91Å; L356-K364 HydrophobicContact CB-CB 4.47Å; L356-K364 HydrophobicContact CB-CD 4.02Å; L356-K364 HydrophobicContact CB-CG 4.2Å; L356-K364 PolarHBondContact O-N 3.26Å
357T97.8Very high95.2Very high40 Ų4068 Ų6825%0.24537%0.369CS..BIsolated β-bridgetrans-120.1166.6175.567.30000112.8I355 R362 A371 A376I355-T357 HydrophobicContact CG2-CG2 4.37Å; I355-T357 PolarHBondContact O-N 3.43Å; T357-R362 CarbonylContact C-O 3.57Å; T357-R362 WeakPolarHBondContact CA-O 3.41Å; T357-R362 VanDerWaalsContact CB-O 3.31Å; T357-R362 WeakPolarHBondContact CB-O 3.5Å; T357-A371 HydrophobicContact CG2-CB 3.78Å; T357-A376 HydrophobicContact CG2-CB 4.38Å
358D96.8Very high95.1Very high52 Ų5266.9 Ų66.928%0.27836%0.36SS..  trans-75.9-175.8155.6725.1000111.1R360 G361 R362D358-R360 VanDerWaalsContact C-N 3.25Å; D358-R360 PolarHBondContact O-N 3.13Å; D358-R360 WeakPolarHBondContact OD1-CA 3.37Å; D358-R360 PolarHBondContact OD1-N 3.48Å; D358-G361 PolarHBondContact O-N 3.15Å; D358-G361 PolarHBondContact OD1-N 3.33Å; D358-R362 PolarHBondContact N-O 3Å; D358-R362 WeakPolarHBondContact OD1-CB 3.48Å; D358-R362 PolarHBondContact OD1-N 3Å; D358-R362 WeakPolarHBondContact OD2-CB 3.24Å; D358-R362 VanDerWaalsContact OD2-CD 3.32Å; D358-R362 WeakPolarHBondContact OD2-CD 3.26Å; D358-R362 WeakPolarHBondContact OD2-CG 3.27Å; D358-R362 IonicContact OD2-CZ 2.9Å; D358-R362 IonicContact OD2-NE 3.82Å; D358-R362 IonicContact OD2-NH1 3.35Å; D358-R362 PolarHBondContact OD2-NH1 3.37Å
359D95.4Very high95.2Very high157 Ų15766 Ų6684%0.8436%0.357SS*.THydrogen-bonded Turntrans-71-17.9178.263.1-24.2000113.7
360R96.2Very high95.3Very high57 Ų5764.9 Ų64.922%0.21535%0.351CS..THydrogen-bonded Turntrans-90.7-4.5175.3-68.4-173.758.8173.2-1.6113.3D358 R362 N396 E399 D400D358-R360 VanDerWaalsContact C-N 3.25Å; D358-R360 PolarHBondContact O-N 3.13Å; D358-R360 WeakPolarHBondContact OD1-CA 3.37Å; D358-R360 PolarHBondContact OD1-N 3.48Å; R360-R362 HydrophobicContact CB-CG 4.46Å; R360-R362 VanDerWaalsContact NE-NH2 3.17Å; R360-R362 VanDerWaalsContact NH1-NH2 3.11Å; R360-N396 VanDerWaalsContact CA-ND2 3.31Å; R360-N396 WeakPolarHBondContact CA-ND2 3.41Å; R360-N396 HydrophobicContact CB-CB 4.25Å; R360-N396 PolarHBondContact NH2-O 2.76Å; R360-N396 PolarHBondContact O-ND2 3.27Å; R360-E399 IonicContact CZ-OE2 3.8Å; R360-E399 IonicContact NH1-OE2 2.83Å; R360-E399 IonicContact NH2-OE2 3.35Å; R360-E399 PolarHBondContact NH2-OE2 3.36Å; R360-D400 IonicContact CZ-OD1 3.92Å; R360-D400 IonicContact NH1-OD1 3.2Å; R360-D400 IonicContact NH2-OD1 3.83Å; R360-D400 PolarHBondContact NH2-OD1 3.07Å
361G97.5Very high95.7Very high5 Ų561.5 Ų61.55%0.05233%0.329CS..  trans8910.6179.200000113.9D358 Y370 A371D358-G361 PolarHBondContact O-N 3.15Å; D358-G361 PolarHBondContact OD1-N 3.33Å; G361-Y370 CarbonylContact O-C 3.5Å; G361-Y370 WeakPolarHBondContact O-CA 3.24Å; G361-A371 PolarHBondContact O-N 3.19Å
362R97.6Very high96Very high71 Ų7153.2 Ų53.227%0.26829%0.29SS..BIsolated β-bridgetrans-74.5131.1175.6-51.8-175.7-173.5111.7-12.1109.9T357 D358 R360 K364 Y370 D400T357-R362 CarbonylContact C-O 3.57Å; T357-R362 WeakPolarHBondContact CA-O 3.41Å; T357-R362 VanDerWaalsContact CB-O 3.31Å; T357-R362 WeakPolarHBondContact CB-O 3.5Å; D358-R362 PolarHBondContact N-O 3Å; D358-R362 WeakPolarHBondContact OD1-CB 3.48Å; D358-R362 PolarHBondContact OD1-N 3Å; D358-R362 WeakPolarHBondContact OD2-CB 3.24Å; D358-R362 VanDerWaalsContact OD2-CD 3.32Å; D358-R362 WeakPolarHBondContact OD2-CD 3.26Å; D358-R362 WeakPolarHBondContact OD2-CG 3.27Å; D358-R362 IonicContact OD2-CZ 2.9Å; D358-R362 IonicContact OD2-NE 3.82Å; D358-R362 IonicContact OD2-NH1 3.35Å; D358-R362 PolarHBondContact OD2-NH1 3.37Å; R360-R362 HydrophobicContact CB-CG 4.46Å; R360-R362 VanDerWaalsContact NE-NH2 3.17Å; R360-R362 VanDerWaalsContact NH1-NH2 3.11Å; R362-K364 PolarHBondContact O-N 3.34Å; R362-Y370 HydrophobicContact CG-CD1 4.02Å; R362-Y370 HydrophobicContact CG-CE1 3.84Å; R362-D400 IonicContact CZ-OD1 2.92Å; R362-D400 IonicContact CZ-OD2 2.79Å; R362-D400 IonicContact NE-OD1 3.63Å; R362-D400 IonicContact NE-OD2 3.71Å; R362-D400 PolarHBondContact NE-OD2 3.01Å; R362-D400 VanDerWaalsContact NH2-CG 3.33Å; R362-D400 IonicContact NH2-OD1 3.52Å; R362-D400 PolarHBondContact NH2-OD1 2.82Å; R362-D400 IonicContact NH2-OD2 3.7Å; R362-D400 PolarHBondContact NH2-OD2 2.87Å; R362-D400 VanDerWaalsContact NH2-OD2 3.15Å
363V98Very high96.2Very high3 Ų346.3 Ų46.32%0.01826%0.261CS..BIsolated β-bridgetrans-70.6129178.51780000109.4L109 P347 I355 G365 S366 L369 A371L109-V363 HydrophobicContact CD1-CG2 4.26Å; P347-V363 HydrophobicContact CG-CG1 3.4Å; I355-V363 HydrophobicContact CG2-CB 4.44Å; I355-V363 HydrophobicContact CG2-CG1 3.93Å; I355-V363 HydrophobicContact CG2-CG2 3.81Å; V363-G365 PolarHBondContact O-N 3.49Å; V363-S366 PolarHBondContact O-N 2.83Å; V363-L369 HydrophobicContact CB-CB 3.79Å; V363-L369 HydrophobicContact CG1-CB 4.47Å; V363-L369 HydrophobicContact CG2-CB 3.87Å; V363-L369 PolarHBondContact N-O 3.03Å; V363-A371 HydrophobicContact CG2-CB 4.02Å
364K96.4Very high96.3Very high123 Ų12343.5 Ų43.554%0.53525%0.25SS..THydrogen-bonded Turntrans-56.5133.4-177-71-167.1-179.8-174.90111.9P347 L356 R362 S366P347-K364 HydrophobicContact CG-CB 4.34Å; P347-K364 WeakPolarHBondContact CG-O 3.39Å; L356-K364 HydrophobicContact CB-CB 4.47Å; L356-K364 HydrophobicContact CB-CD 4.02Å; L356-K364 HydrophobicContact CB-CG 4.2Å; L356-K364 PolarHBondContact O-N 3.26Å; R362-K364 PolarHBondContact O-N 3.34Å; K364-S366 VanDerWaalsContact C-N 3.28Å; K364-S366 PolarHBondContact O-N 3.37Å
365G93.5Very high96.3Very high97 Ų9742.3 Ų42.3100%125%0.245SC*.THydrogen-bonded Turntrans75.911.4177.800000114.7V363V363-G365 PolarHBondContact O-N 3.49Å
366S93.1Very high96.2Very high39 Ų3943 Ų4327%0.27325%0.25SC..  trans-123.1148173-175.20000111.9V363 K364 N368 L369V363-S366 PolarHBondContact O-N 2.83Å; K364-S366 VanDerWaalsContact C-N 3.28Å; K364-S366 PolarHBondContact O-N 3.37Å; S366-N368 PolarHBondContact OG-N 3.11Å; S366-L369 WeakPolarHBondContact OG-CB 3.25Å; S366-L369 WeakPolarHBondContact OG-CG 3.31Å; S366-L369 PolarHBondContact OG-N 2.89Å
367S90Very high96.1Very high105 Ų10543.8 Ų43.873%0.73426%0.257SS*.SBendtrans-92.8-18.1178.256.40000114.1
368N93.9Very high95.8Very high10 Ų1042.1 Ų42.15%0.05325%0.249CC..SBendtrans-141.217.6-176.770.6-28.2000114.5A101 Y104 D105 V107 S366 R409A101-N368 PolarHBondContact O-ND2 3.29Å; Y104-N368 PolarHBondContact O-ND2 3.04Å; D105-N368 WeakPolarHBondContact O-CB 3.4Å; V107-N368 PolarHBondContact N-O 3.31Å; S366-N368 PolarHBondContact OG-N 3.11Å; N368-R409 PolarHBondContact ND2-NH2 3.5Å
369L97.7Very high95.6Very high17 Ų1741.4 Ų41.49%0.08925%0.247CC..EExtended strand (participates in β ladder)trans-103.9135.1171.7-62.4-178.1000110.5V97 A101 V107 L346 V363 S366V97-L369 HydrophobicContact CG1-CD1 3.87Å; V97-L369 HydrophobicContact CG1-CD2 3.71Å; V97-L369 HydrophobicContact CG1-CG 4.46Å; A101-L369 HydrophobicContact CB-CD2 4.06Å; V107-L369 HydrophobicContact CB-CD2 3.57Å; V107-L369 HydrophobicContact CG1-CD2 4.11Å; V107-L369 HydrophobicContact CG2-CD2 4.08Å; V107-L369 WeakPolarHBondContact O-CA 3.42Å; L346-L369 HydrophobicContact CD2-CD1 4.14Å; V363-L369 HydrophobicContact CB-CB 3.79Å; V363-L369 HydrophobicContact CG1-CB 4.47Å; V363-L369 HydrophobicContact CG2-CB 3.87Å; V363-L369 PolarHBondContact N-O 3.03Å; S366-L369 WeakPolarHBondContact OG-CB 3.25Å; S366-L369 WeakPolarHBondContact OG-CG 3.31Å; S366-L369 PolarHBondContact OG-N 2.89Å
370Y98.6Very high95.1Very high8 Ų838.5 Ų38.53%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-127.1159.6175.7-54.6-98000109.2V107 I108 L109 G361 R362 V397 D400V107-Y370 PolarHBondContact O-N 3.17Å; I108-Y370 CarbonylContact C-O 3.44Å; L109-Y370 WeakPolarHBondContact CB-O 3.44Å; L109-Y370 PolarHBondContact N-O 3.23Å; G361-Y370 CarbonylContact O-C 3.5Å; G361-Y370 WeakPolarHBondContact O-CA 3.24Å; R362-Y370 HydrophobicContact CG-CD1 4.02Å; R362-Y370 HydrophobicContact CG-CE1 3.84Å; Y370-V397 HydrophobicContact CD1-CG2 3.47Å; Y370-V397 VanDerWaalsContact CD1-CG2 3.47Å; Y370-V397 HydrophobicContact CD2-CG2 3.7Å; Y370-V397 HydrophobicContact CE1-CB 4.43Å; Y370-V397 HydrophobicContact CE1-CG2 3.68Å; Y370-V397 HydrophobicContact CE2-CG1 4.31Å; Y370-V397 HydrophobicContact CE2-CG2 3.93Å; Y370-V397 HydrophobicContact CG-CG2 3.47Å; Y370-V397 VanDerWaalsContact CG-CG2 3.47Å; Y370-D400 WeakPolarHBondContact CE1-OD2 3.3Å; Y370-D400 WeakPolarHBondContact OH-CB 3.35Å; Y370-D400 PolarHBondContact OH-OD2 3.05Å
371A98.3Very high94.5Very high1 Ų138 Ų381%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-138.7141.4173.200000111.6L109 I355 T357 G361 V363 A376L109-A371 HydrophobicContact CB-CB 4.07Å; L109-A371 CarbonylContact O-C 3.34Å; L109-A371 VanDerWaalsContact O-CA 3.28Å; L109-A371 WeakPolarHBondContact O-CA 3.36Å; I355-A371 HydrophobicContact CB-CB 4.21Å; I355-A371 HydrophobicContact CG2-CB 4.01Å; T357-A371 HydrophobicContact CG2-CB 3.78Å; G361-A371 PolarHBondContact O-N 3.19Å; V363-A371 HydrophobicContact CG2-CB 4.02Å; A371-A376 HydrophobicContact CB-CB 3.99Å
372C97.4Very high94.1Very high2 Ų242.2 Ų42.21%0.01427%0.266CS..  trans-140.9164.9177.873.80000112.6L109 C375 V393L109-C372 PolarHBondContact O-N 3.35Å; C372-C375 PolarHBondContact O-SG 3.13Å; C372-V393 HydrophobicContact CB-CB 3.98Å; C372-V393 HydrophobicContact CB-CG1 4.08Å; C372-V393 HydrophobicContact CB-CG2 3.88Å
373G96.5Very high93.6Very high2 Ų241 Ų412%0.02126%0.264CS..THydrogen-bonded Turntrans67.2-153.1-178.100000113.7C375 A376 T377G373-C375 PolarHBondContact O-N 3.21Å; G373-A376 PolarHBondContact O-N 3.27Å; G373-T377 PolarHBondContact O-N 3.02Å; G373-T377 PolarHBondContact O-OG1 3.32Å
374W96.1Very high93.3Very high42 Ų4244.1 Ų44.116%0.15929%0.29CS..Hα-helixtrans-65.9-20.2-171.2-69.9-7.1000114.7L53 A113 Y336 S338 A376 G378 P379 V380L53-W374 HydrophobicContact CD1-CE3 3.68Å; L53-W374 HydrophobicContact CD1-CH2 3.9Å; L53-W374 HydrophobicContact CD1-CZ3 3.27Å; A113-W374 HydrophobicContact CB-CB 4.21Å; A113-W374 HydrophobicContact CB-CE3 3.82Å; Y336-W374 HydrophobicContact CD1-CZ3 4.29Å; Y336-W374 HydrophobicContact CD2-CH2 4.27Å; Y336-W374 AromaticContact CD2-CZ3 3.99Å; Y336-W374 HydrophobicContact CD2-CZ3 3.99Å; Y336-W374 AromaticContact CG-CZ3 3.86Å; Y336-W374 HydrophobicContact CG-CZ3 3.86Å; S338-W374 PolarHBondContact OG-O 2.72Å; S338-W374 VanDerWaalsContact OG-O 3.07Å; W374-A376 VanDerWaalsContact C-N 3.26Å; W374-A376 PolarHBondContact O-N 3.4Å; W374-G378 WeakPolarHBondContact CA-O 3.48Å; W374-G378 VanDerWaalsContact O-CA 3.27Å; W374-G378 WeakPolarHBondContact O-CA 3.43Å; W374-G378 PolarHBondContact O-N 3.48Å; W374-P379 HydrophobicContact CD2-CB 4.11Å; W374-P379 HydrophobicContact CE3-CB 4.06Å; W374-P379 HydrophobicContact CH2-CB 4.48Å; W374-P379 HydrophobicContact CZ3-CB 4.24Å; W374-V380 PolarHBondContact NE1-O 3.48Å
375C96.4Very high93.1Very high0 Ų043.4 Ų43.40%029%0.289CS..Hα-helixtrans-69.5-26172.975.80000112.4L109 F111 I354 I355 C372 G373L109-C375 PolarHBondContact O-SG 3Å; F111-C375 HydrophobicContact CD1-CB 4.23Å; F111-C375 HydrophobicContact CD2-CB 3.74Å; F111-C375 HydrophobicContact CE1-CB 3.95Å; F111-C375 HydrophobicContact CE2-CB 3.41Å; F111-C375 VanDerWaalsContact CE2-CB 3.41Å; F111-C375 HydrophobicContact CG-CB 4.15Å; F111-C375 HydrophobicContact CZ-CB 3.54Å; I354-C375 CarbonylContact C-O 3.56Å; I354-C375 VanDerWaalsContact CA-O 3.26Å; I354-C375 WeakPolarHBondContact CA-O 3.39Å; I354-C375 WeakPolarHBondContact CB-O 3.47Å; I355-C375 PolarHBondContact N-O 3.17Å; C372-C375 PolarHBondContact O-SG 3.13Å; G373-C375 PolarHBondContact O-N 3.21Å
376A96.2Very high93.2Very high14 Ų1439.4 Ų39.412%0.11625%0.245CC..Hα-helixtrans-100.6-31.5177.800000113.1I354 T357 A371 G373 W374I354-A376 WeakPolarHBondContact CD1-O 3.22Å; T357-A376 HydrophobicContact CG2-CB 4.38Å; A371-A376 HydrophobicContact CB-CB 3.99Å; G373-A376 PolarHBondContact O-N 3.27Å; W374-A376 VanDerWaalsContact C-N 3.26Å; W374-A376 PolarHBondContact O-N 3.4Å
377T94.2Very high93.3Very high74 Ų7441.5 Ų41.545%0.45425%0.25SS..Hα-helixtrans-108.7-13.2-170.857.20000114.1G373G373-T377 PolarHBondContact O-N 3.02Å; G373-T377 PolarHBondContact O-OG1 3.32Å
378G92.8Very high93.6Very high6 Ų639.1 Ų39.16%0.06223%0.234CC..  trans80.9174.7-167.400000111.7W374 V380W374-G378 WeakPolarHBondContact CA-O 3.48Å; W374-G378 VanDerWaalsContact O-CA 3.27Å; W374-G378 WeakPolarHBondContact O-CA 3.43Å; W374-G378 PolarHBondContact O-N 3.48Å; G378-V380 PolarHBondContact O-N 3.07Å
379P91.1Very high93.6Very high37 Ų3740.5 Ų40.524%0.2424%0.243CC..SBendtrans-7956.1-170.838.7-44.8000113A113 Y336 W374A113-P379 HydrophobicContact CB-CB 4.5Å; Y336-P379 VanDerWaalsContact O-CG 3.31Å; Y336-P379 WeakPolarHBondContact O-CG 3.41Å; W374-P379 HydrophobicContact CD2-CB 4.11Å; W374-P379 HydrophobicContact CE3-CB 4.06Å; W374-P379 HydrophobicContact CH2-CB 4.48Å; W374-P379 HydrophobicContact CZ3-CB 4.24Å
380V86.6Confident93.6Very high96 Ų9639.7 Ų39.758%0.58224%0.238SC*.  trans-123.4154.2-175.3-640000111.6W374 G378W374-V380 PolarHBondContact NE1-O 3.48Å; G378-V380 PolarHBondContact O-N 3.07Å
381G82.8Confident93.6Very high47 Ų4744.2 Ų44.249%0.48526%0.258SS..SBendtrans87.7159178.500000114.2
382E88.3Confident93.6Very high93 Ų9346.5 Ų46.544%0.43528%0.277SS..  trans-87.9172.5175.5-64.3175.4128.200110.8T216 A384 Q385 T386T216-E382 WeakPolarHBondContact CG2-OE1 3.21Å; T216-E382 PolarHBondContact OG1-OE1 3.36Å; E382-A384 VanDerWaalsContact C-N 3.26Å; E382-A384 PolarHBondContact O-N 2.9Å; E382-Q385 WeakPolarHBondContact O-CB 3.18Å; E382-Q385 PolarHBondContact O-N 3.43Å; E382-T386 PolarHBondContact O-N 3.09Å; E382-T386 VanDerWaalsContact O-N 3.09Å
383L88.5Confident93.6Very high45 Ų4547.1 Ų47.124%0.23628%0.281CS..Hα-helixtrans-53.2-40.7-178.4-175.861.9000113.2P23 Y27 I54 V65 Q385 T386 Q387P23-L383 HydrophobicContact CB-CD1 3.38Å; P23-L383 HydrophobicContact CG-CD1 3.94Å; Y27-L383 HydrophobicContact CE2-CD1 3.92Å; Y27-L383 HydrophobicContact CE2-CG 4.35Å; I54-L383 HydrophobicContact CG1-CD1 4.27Å; V65-L383 HydrophobicContact CG1-CD2 3.8Å; L383-Q385 VanDerWaalsContact C-N 3.35Å; L383-Q385 PolarHBondContact O-N 3.22Å; L383-T386 WeakPolarHBondContact O-CB 3.41Å; L383-T386 PolarHBondContact O-N 3.38Å; L383-Q387 PolarHBondContact O-N 3.12Å
384A91.4Very high93.7Very high69 Ų6947.1 Ų47.157%0.5728%0.28SS*.Hα-helixtrans-63.6-38.3178.200000112.6E382 Q387 S388E382-A384 VanDerWaalsContact C-N 3.26Å; E382-A384 PolarHBondContact O-N 2.9Å; A384-Q387 PolarHBondContact O-N 3.43Å; A384-S388 PolarHBondContact O-N 3.36Å
385Q92.8Very high93.7Very high107 Ų10750.2 Ų50.250%0.530%0.298SS..Hα-helixtrans-65.3-45.6174.5-173.262.147.400110.1E382 L383 Q387 S388 T389E382-Q385 WeakPolarHBondContact O-CB 3.18Å; E382-Q385 PolarHBondContact O-N 3.43Å; L383-Q385 VanDerWaalsContact C-N 3.35Å; L383-Q385 PolarHBondContact O-N 3.22Å; Q385-Q387 VanDerWaalsContact C-N 3.31Å; Q385-Q387 PolarHBondContact O-N 2.83Å; Q385-S388 PolarHBondContact NE2-OG 2.8Å; Q385-S388 PolarHBondContact O-N 3.48Å; Q385-S388 PolarHBondContact O-OG 3.41Å; Q385-T389 HydrophobicContact CG-CG2 4.45Å; Q385-T389 WeakPolarHBondContact O-CG2 3.2Å; Q385-T389 PolarHBondContact O-N 2.81Å; Q385-T389 PolarHBondContact O-OG1 3.39Å
386T94.8Very high93.7Very high14 Ų1451.9 Ų51.99%0.08631%0.307CS..Hα-helixtrans-56.3-45.6175.5-61.60000111.5P23 A24 E382 L383 S388 T389 A390P23-T386 HydrophobicContact CB-CG2 4.11Å; A24-T386 HydrophobicContact CB-CG2 3.79Å; E382-T386 PolarHBondContact O-N 3.09Å; E382-T386 VanDerWaalsContact O-N 3.09Å; L383-T386 WeakPolarHBondContact O-CB 3.41Å; L383-T386 PolarHBondContact O-N 3.38Å; T386-S388 PolarHBondContact O-N 3.29Å; T386-T389 PolarHBondContact O-N 3.41Å; T386-T389 PolarHBondContact O-OG1 3.03Å; T386-A390 VanDerWaalsContact O-CB 3.29Å; T386-A390 WeakPolarHBondContact O-CB 3.31Å; T386-A390 PolarHBondContact O-N 3.5Å
387Q94.9Very high93.8Very high82 Ų8251.2 Ų51.238%0.38330%0.301SS..Hα-helixtrans-57.6-48.9175.7-179.8179.316.200112.2Y27 L383 A384 Q385 T389 A390 K391Y27-Q387 HydrophobicContact CD1-CB 4.31Å; Y27-Q387 HydrophobicContact CD1-CG 3.68Å; Y27-Q387 HydrophobicContact CD2-CB 3.71Å; Y27-Q387 HydrophobicContact CD2-CG 4.02Å; Y27-Q387 HydrophobicContact CE1-CB 4.45Å; Y27-Q387 HydrophobicContact CE1-CG 3.91Å; Y27-Q387 HydrophobicContact CE2-CB 3.9Å; Y27-Q387 HydrophobicContact CE2-CG 4.26Å; Y27-Q387 HydrophobicContact CG-CB 3.96Å; Y27-Q387 HydrophobicContact CG-CG 3.75Å; L383-Q387 PolarHBondContact O-N 3.12Å; A384-Q387 PolarHBondContact O-N 3.43Å; Q385-Q387 VanDerWaalsContact C-N 3.31Å; Q385-Q387 PolarHBondContact O-N 2.83Å; Q387-T389 PolarHBondContact O-N 3.03Å; Q387-A390 PolarHBondContact O-N 3.09Å; Q387-K391 WeakPolarHBondContact O-CB 3.34Å; Q387-K391 PolarHBondContact O-N 3.39Å
388S95.9Very high93.8Very high56 Ų5648 Ų4839%0.39228%0.282SS..Hα-helixtrans-63.4-42.5-17968.70000112.8A384 Q385 T386 K391 A392A384-S388 PolarHBondContact O-N 3.36Å; Q385-S388 PolarHBondContact NE2-OG 2.8Å; Q385-S388 PolarHBondContact O-N 3.48Å; Q385-S388 PolarHBondContact O-OG 3.41Å; T386-S388 PolarHBondContact O-N 3.29Å; S388-K391 PolarHBondContact O-N 2.9Å; S388-A392 PolarHBondContact O-N 3.41Å
389T95.6Very high93.8Very high38 Ų3852.3 Ų52.323%0.23330%0.301CS..Hα-helixtrans-69.6-39178.858.30000112.3Q385 T386 Q387 K391 A392 V393Q385-T389 HydrophobicContact CG-CG2 4.45Å; Q385-T389 WeakPolarHBondContact O-CG2 3.2Å; Q385-T389 PolarHBondContact O-N 2.81Å; Q385-T389 PolarHBondContact O-OG1 3.39Å; T386-T389 PolarHBondContact O-N 3.41Å; T386-T389 PolarHBondContact O-OG1 3.03Å; Q387-T389 PolarHBondContact O-N 3.03Å; T389-K391 VanDerWaalsContact C-N 3.34Å; T389-K391 PolarHBondContact O-N 3.03Å; T389-A392 PolarHBondContact O-N 3.18Å; T389-V393 WeakPolarHBondContact O-CG2 3.48Å; T389-V393 PolarHBondContact O-N 3.04Å
390A97.5Very high93.9Very high0 Ų052.1 Ų52.10%030%0.298CS..Hα-helixtrans-62.7-41.9174.400000111.7A24 C28 T386 Q387 V393 A394A24-A390 WeakPolarHBondContact O-CB 3.45Å; C28-A390 HydrophobicContact CB-CB 4.25Å; T386-A390 VanDerWaalsContact O-CB 3.29Å; T386-A390 WeakPolarHBondContact O-CB 3.31Å; T386-A390 PolarHBondContact O-N 3.5Å; Q387-A390 PolarHBondContact O-N 3.09Å; A390-V393 PolarHBondContact O-N 2.84Å; A390-A394 WeakPolarHBondContact O-CB 3.43Å; A390-A394 PolarHBondContact O-N 2.64Å
391K97.6Very high94.1Very high104 Ų10448.3 Ų48.345%0.45227%0.274SS..Hα-helixtrans-62.1-44.4174.5-179.5176.7177.9-178.70112.2Q387 S388 T389 A394 M395Q387-K391 WeakPolarHBondContact O-CB 3.34Å; Q387-K391 PolarHBondContact O-N 3.39Å; S388-K391 PolarHBondContact O-N 2.9Å; T389-K391 VanDerWaalsContact C-N 3.34Å; T389-K391 PolarHBondContact O-N 3.03Å; K391-A394 PolarHBondContact O-N 2.83Å; K391-M395 HydrophobicContact CD-CE 4.42Å; K391-M395 HydrophobicContact CG-CE 4.24Å; K391-M395 HydrophobicContact CG-SD 4.14Å; K391-M395 WeakPolarHBondContact O-CG 3.19Å; K391-M395 PolarHBondContact O-N 3.29Å
392A98Very high94.3Very high48 Ų4849.9 Ų49.940%0.39727%0.271SS..Hα-helixtrans-60.7-45.7178.100000111.8S388 T389 A394 M395 N396S388-A392 PolarHBondContact O-N 3.41Å; T389-A392 PolarHBondContact O-N 3.18Å; A392-A394 PolarHBondContact O-N 2.89Å; A392-M395 PolarHBondContact O-N 3.45Å; A392-N396 VanDerWaalsContact O-CG 3.27Å; A392-N396 PolarHBondContact O-N 3.44Å; A392-N396 PolarHBondContact O-ND2 2.64Å
393V98.2Very high93.7Very high15 Ų1552 Ų529%0.09129%0.285CS..Hα-helixtrans-63.3-43.3176.3174.60000111.3C372 T389 A390 M395 N396 V397C372-V393 HydrophobicContact CB-CB 3.98Å; C372-V393 HydrophobicContact CB-CG1 4.08Å; C372-V393 HydrophobicContact CB-CG2 3.88Å; T389-V393 WeakPolarHBondContact O-CG2 3.48Å; T389-V393 PolarHBondContact O-N 3.04Å; A390-V393 PolarHBondContact O-N 2.84Å; V393-M395 VanDerWaalsContact C-N 3.29Å; V393-M395 PolarHBondContact O-N 3.43Å; V393-N396 PolarHBondContact O-N 3.21Å; V393-V397 HydrophobicContact CG1-CG2 4.38Å; V393-V397 VanDerWaalsContact O-CG2 3.3Å; V393-V397 WeakPolarHBondContact O-CG2 3.25Å; V393-V397 PolarHBondContact O-N 2.93Å
394A98.2Very high93Very high2 Ų251.8 Ų51.82%0.01729%0.29CS..Hα-helixtrans-60-37.3176.100000113S31 L32 A390 K391 A392 V397 A398S31-A394 VanDerWaalsContact CB-CB 3.45Å; L32-A394 HydrophobicContact CD2-CB 3.89Å; L32-A394 HydrophobicContact CG-CB 3.89Å; A390-A394 WeakPolarHBondContact O-CB 3.43Å; A390-A394 PolarHBondContact O-N 2.64Å; K391-A394 PolarHBondContact O-N 2.83Å; A392-A394 PolarHBondContact O-N 2.89Å; A394-V397 PolarHBondContact O-N 2.91Å; A394-A398 WeakPolarHBondContact O-CB 3.46Å; A394-A398 PolarHBondContact O-N 3.38Å
395M97Very high91.8Very high108 Ų10855.8 Ų55.853%0.53230%0.302SS..Hα-helixtrans-66.8-41.1174.9-73.4173.2156.600112K391 A392 V393 A398 E399K391-M395 HydrophobicContact CD-CE 4.42Å; K391-M395 HydrophobicContact CG-CE 4.24Å; K391-M395 HydrophobicContact CG-SD 4.14Å; K391-M395 WeakPolarHBondContact O-CG 3.19Å; K391-M395 PolarHBondContact O-N 3.29Å; A392-M395 PolarHBondContact O-N 3.45Å; V393-M395 VanDerWaalsContact C-N 3.29Å; V393-M395 PolarHBondContact O-N 3.43Å; M395-A398 PolarHBondContact O-N 3.24Å; M395-E399 PolarHBondContact O-N 2.79Å
396N96.6Very high90.4Very high34 Ų3454 Ų5418%0.18231%0.306CS..Hα-helixtrans-64.4-41.3175.7-63.2-25.1000111.6R360 A392 V393 A398 E399 D400R360-N396 VanDerWaalsContact CA-ND2 3.31Å; R360-N396 WeakPolarHBondContact CA-ND2 3.41Å; R360-N396 HydrophobicContact CB-CB 4.25Å; R360-N396 PolarHBondContact NH2-O 2.76Å; R360-N396 PolarHBondContact O-ND2 3.27Å; A392-N396 VanDerWaalsContact O-CG 3.27Å; A392-N396 PolarHBondContact O-N 3.44Å; A392-N396 PolarHBondContact O-ND2 2.64Å; V393-N396 PolarHBondContact O-N 3.21Å; N396-A398 VanDerWaalsContact C-N 3.3Å; N396-A398 PolarHBondContact O-N 3.24Å; N396-E399 PolarHBondContact O-N 2.81Å; N396-D400 WeakPolarHBondContact O-CB 3.26Å; N396-D400 PolarHBondContact O-N 2.94Å
397V96.3Very high88.8Confident0 Ų056 Ų560%032%0.32CS..Hα-helixtrans-59.1-43.9173.1172.60000110.7L16 L32 I108 Y370 V393 A394 D400 L401L16-V397 HydrophobicContact CD2-CG1 4.29Å; L32-V397 HydrophobicContact CD2-CB 4.15Å; L32-V397 HydrophobicContact CD2-CG1 3.96Å; I108-V397 HydrophobicContact CG1-CG2 4.2Å; Y370-V397 HydrophobicContact CD1-CG2 3.47Å; Y370-V397 VanDerWaalsContact CD1-CG2 3.47Å; Y370-V397 HydrophobicContact CD2-CG2 3.7Å; Y370-V397 HydrophobicContact CE1-CB 4.43Å; Y370-V397 HydrophobicContact CE1-CG2 3.68Å; Y370-V397 HydrophobicContact CE2-CG1 4.31Å; Y370-V397 HydrophobicContact CE2-CG2 3.93Å; Y370-V397 HydrophobicContact CG-CG2 3.47Å; Y370-V397 VanDerWaalsContact CG-CG2 3.47Å; V393-V397 HydrophobicContact CG1-CG2 4.38Å; V393-V397 VanDerWaalsContact O-CG2 3.3Å; V393-V397 WeakPolarHBondContact O-CG2 3.25Å; V393-V397 PolarHBondContact O-N 2.93Å; A394-V397 PolarHBondContact O-N 2.91Å; V397-D400 PolarHBondContact O-N 3.18Å; V397-L401 HydrophobicContact CG1-CD1 3.77Å; V397-L401 HydrophobicContact CG1-CG 4.46Å; V397-L401 WeakPolarHBondContact O-CB 3.12Å; V397-L401 WeakPolarHBondContact O-CG 3.36Å; V397-L401 PolarHBondContact O-N 2.83Å
398A94.4Very high87.2Confident7 Ų758.2 Ų58.26%0.05834%0.344CS..Hα-helixtrans-62.5-46.4178.500000112.2L37 A394 M395 N396 L401 L402L37-A398 HydrophobicContact CD1-CB 4.04Å; L37-A398 HydrophobicContact CG-CB 4.06Å; A394-A398 WeakPolarHBondContact O-CB 3.46Å; A394-A398 PolarHBondContact O-N 3.38Å; M395-A398 PolarHBondContact O-N 3.24Å; N396-A398 VanDerWaalsContact C-N 3.3Å; N396-A398 PolarHBondContact O-N 3.24Å; A398-L401 PolarHBondContact O-N 2.99Å; A398-L402 WeakPolarHBondContact O-CB 3.48Å; A398-L402 WeakPolarHBondContact O-CG 3.41Å; A398-L402 PolarHBondContact O-N 2.82Å
399E93.5Very high86Confident96 Ų9659.7 Ų59.745%0.44934%0.341SS..Hα-helixtrans-59.4-49.4176.2-170.9-176.8-177.200111.6R360 M395 N396 L401 L402 D403R360-E399 IonicContact CZ-OE2 3.8Å; R360-E399 IonicContact NH1-OE2 2.83Å; R360-E399 IonicContact NH2-OE2 3.35Å; R360-E399 PolarHBondContact NH2-OE2 3.36Å; M395-E399 PolarHBondContact O-N 2.79Å; N396-E399 PolarHBondContact O-N 2.81Å; E399-L401 VanDerWaalsContact C-N 3.25Å; E399-L401 PolarHBondContact O-N 3.32Å; E399-L402 PolarHBondContact O-N 3.28Å; E399-D403 PolarHBondContact O-N 3.41Å
400D93.1Very high84.8Confident33 Ų3360.3 Ų60.318%0.17635%0.35CS..Hα-helixtrans-61.9-32.7-178.2-68.3-9.2000112.9R360 R362 Y370 N396 V397R360-D400 IonicContact CZ-OD1 3.92Å; R360-D400 IonicContact NH1-OD1 3.2Å; R360-D400 IonicContact NH2-OD1 3.83Å; R360-D400 PolarHBondContact NH2-OD1 3.07Å; R362-D400 IonicContact CZ-OD1 2.92Å; R362-D400 IonicContact CZ-OD2 2.79Å; R362-D400 IonicContact NE-OD1 3.63Å; R362-D400 IonicContact NE-OD2 3.71Å; R362-D400 PolarHBondContact NE-OD2 3.01Å; R362-D400 VanDerWaalsContact NH2-CG 3.33Å; R362-D400 IonicContact NH2-OD1 3.52Å; R362-D400 PolarHBondContact NH2-OD1 2.82Å; R362-D400 IonicContact NH2-OD2 3.7Å; R362-D400 PolarHBondContact NH2-OD2 2.87Å; R362-D400 VanDerWaalsContact NH2-OD2 3.15Å; Y370-D400 WeakPolarHBondContact CE1-OD2 3.3Å; Y370-D400 WeakPolarHBondContact OH-CB 3.35Å; Y370-D400 PolarHBondContact OH-OD2 3.05Å; N396-D400 WeakPolarHBondContact O-CB 3.26Å; N396-D400 PolarHBondContact O-N 2.94Å; V397-D400 PolarHBondContact O-N 3.18Å
401L91.7Very high84Confident17 Ų1767.8 Ų67.89%0.08939%0.391CS..Hα-helixtrans-91-19.1-179-66.8177.8000113.9R10 V14 L16 L37 D105 V397 A398 E399 D403 A404R10-L401 PolarHBondContact NH1-O 3.04Å; V14-L401 HydrophobicContact CG1-CD1 3.88Å; L16-L401 HydrophobicContact CD2-CD1 3.54Å; L37-L401 HydrophobicContact CD1-CB 4.4Å; L37-L401 HydrophobicContact CD1-CD1 4.34Å; L37-L401 HydrophobicContact CD2-CB 3.83Å; D105-L401 HydrophobicContact CB-CD1 4.45Å; D105-L401 HydrophobicContact CB-CD2 4.45Å; V397-L401 HydrophobicContact CG1-CD1 3.77Å; V397-L401 HydrophobicContact CG1-CG 4.46Å; V397-L401 WeakPolarHBondContact O-CB 3.12Å; V397-L401 WeakPolarHBondContact O-CG 3.36Å; V397-L401 PolarHBondContact O-N 2.83Å; A398-L401 PolarHBondContact O-N 2.99Å; E399-L401 VanDerWaalsContact C-N 3.25Å; E399-L401 PolarHBondContact O-N 3.32Å; L401-D403 VanDerWaalsContact C-N 3.34Å; L401-A404 PolarHBondContact O-N 2.77Å
402L86.2Confident83.6Confident79 Ų7966 Ų6641%0.41439%0.385SS..Hα-helixtrans-66.2-39.9170.4-79.5169.4000110.9P36 L37 A398 E399 A404P36-L402 HydrophobicContact CG-CD1 4.06Å; P36-L402 HydrophobicContact CG-CD2 4.41Å; L37-L402 HydrophobicContact CD2-CD2 4.06Å; L37-L402 HydrophobicContact CD2-CG 3.89Å; A398-L402 WeakPolarHBondContact O-CB 3.48Å; A398-L402 WeakPolarHBondContact O-CG 3.41Å; A398-L402 PolarHBondContact O-N 2.82Å; E399-L402 PolarHBondContact O-N 3.28Å; L402-A404 VanDerWaalsContact C-N 3.29Å; L402-A404 PolarHBondContact O-N 2.74Å
403D74.9Confident83.4Confident138 Ų13866.4 Ų66.474%0.73838%0.38SS*.SBendtrans-80.1-11.3179.7-66.8-24.8000113.1E399 L401E399-D403 PolarHBondContact O-N 3.41Å; L401-D403 VanDerWaalsContact C-N 3.34Å
404A74Confident83.3Confident40 Ų4065.8 Ų65.833%0.33138%0.376SS..SBendtrans-81.9130.1-179.200000112.1R10 L401 L402R10-A404 PolarHBondContact NH2-O 2.83Å; L401-A404 PolarHBondContact O-N 2.77Å; L402-A404 VanDerWaalsContact C-N 3.29Å; L402-A404 PolarHBondContact O-N 2.74Å
405N67.7Low83.2Confident153 Ų15369.4 Ų69.482%0.81839%0.391SS*.PPolyproline II helixtrans-51.8150.5167.2-74.6-26.7000111S407N405-S407 PolarHBondContact O-N 2.93Å
406A61.7Low83.2Confident71 Ų7168.5 Ų68.559%0.58739%0.386SS*.PPolyproline II helixtrans-47.7126.1175.400000110.1
407S62.8Low83.1Confident55 Ų5567.9 Ų67.939%0.38538%0.382SS..PPolyproline II helixtrans-74.6143.6-166.684.70000111.7D105 N405 R409D105-S407 WeakPolarHBondContact OD1-CB 3.24Å; D105-S407 PolarHBondContact OD1-OG 3.48Å; N405-S407 PolarHBondContact O-N 2.93Å; S407-R409 PolarHBondContact O-N 2.69Å; S407-R409 VanDerWaalsContact OG-CG 3.29Å; S407-R409 WeakPolarHBondContact OG-CG 3.28Å
408S60.9Low83.2Confident128 Ų12867.9 Ų67.990%0.89538%0.382SS*.  trans-84.125.5172.568.90000112.4
409R70Confident83.4Confident87 Ų8772.8 Ų72.833%0.32841%0.406SS..  trans-72.4154.6-174-62.3-65.7-178.3-171.12.5110.9N368 S407 N411N368-R409 PolarHBondContact ND2-NH2 3.5Å; S407-R409 PolarHBondContact O-N 2.69Å; S407-R409 VanDerWaalsContact OG-CG 3.29Å; S407-R409 WeakPolarHBondContact OG-CG 3.28Å; R409-N411 PolarHBondContact O-N 3.03Å
410A71.6Confident83.5Confident51 Ų5174.5 Ų74.542%0.42141%0.414SS..  trans-60.5129.9-177.600000110.8R15 L103 M412R15-A410 PolarHBondContact NH1-O 2.64Å; R15-A410 PolarHBondContact NH2-O 2.99Å; L103-A410 HydrophobicContact CD2-CB 4.17Å; A410-M412 PolarHBondContact O-N 2.75Å
411N79.1Confident83.7Confident158 Ų15878.2 Ų78.285%0.84543%0.426SS*.  trans-7931180-164.520.8000112.9R409R409-N411 PolarHBondContact O-N 3.03Å
412M89Confident83.9Confident67 Ų6784.4 Ų84.433%0.3346%0.459SS..  trans-93.2138.3179.1179.4-176.2-7300109.7R15 L103 A410 Q416R15-M412 PolarHBondContact NH1-O 2.78Å; L103-M412 HydrophobicContact CD2-CB 3.86Å; L103-M412 HydrophobicContact CD2-CG 4.38Å; A410-M412 PolarHBondContact O-N 2.75Å; M412-Q416 HydrophobicContact CG-CB 4.27Å
413D94.1Very high84.5Confident56 Ų5681.5 Ų81.530%0.29944%0.444SS..  trans-80.7136.5170.7-166-29.2000109.8R84 K415 Q416R84-D413 IonicContact CZ-OD1 2.91Å; R84-D413 IonicContact CZ-OD2 3.17Å; R84-D413 IonicContact NH1-OD1 2.62Å; R84-D413 PolarHBondContact NH1-OD1 2.79Å; R84-D413 IonicContact NH1-OD2 2.73Å; R84-D413 PolarHBondContact NH1-OD2 3.13Å; R84-D413 IonicContact NH2-OD1 3.33Å; R84-D413 PolarHBondContact NH2-OD1 3.18Å; R84-D413 IonicContact NH2-OD2 2.71Å; D413-K415 PolarHBondContact O-N 3.4Å; D413-K415 VanDerWaalsContact O-N 3.09Å; D413-K415 PolarHBondContact OD1-N 3.39Å; D413-Q416 WeakPolarHBondContact O-CB 3.2Å; D413-Q416 PolarHBondContact O-N 2.87Å
414I96.3Very high85.5Confident1 Ų180.6 Ų80.61%0.00543%0.431CS..Hα-helixtrans-54.5-29.9177.3-169.662000112.8F44 F86 V95 L100 L103 Y104 Q416 M417 L418F44-I414 HydrophobicContact CE1-CG1 3.88Å; F44-I414 HydrophobicContact CE1-CG2 4.47Å; F44-I414 HydrophobicContact CZ-CB 4.44Å; F44-I414 HydrophobicContact CZ-CG1 3.86Å; F44-I414 HydrophobicContact CZ-CG2 4.16Å; F86-I414 HydrophobicContact CE1-CG2 4.03Å; F86-I414 HydrophobicContact CE2-CG2 3.97Å; F86-I414 HydrophobicContact CZ-CG2 3.57Å; V95-I414 HydrophobicContact CG1-CD1 4.3Å; L100-I414 HydrophobicContact CD2-CD1 3.91Å; L103-I414 HydrophobicContact CD1-CD1 3.65Å; Y104-I414 WeakPolarHBondContact OH-CB 3.39Å; Y104-I414 VanDerWaalsContact OH-CG2 3.25Å; Y104-I414 WeakPolarHBondContact OH-CG2 3.25Å; I414-Q416 PolarHBondContact O-N 3.06Å; I414-M417 HydrophobicContact CD1-CB 4.4Å; I414-M417 HydrophobicContact CD1-SD 4.27Å; I414-M417 PolarHBondContact O-N 2.87Å; I414-M417 VanDerWaalsContact O-N 3.09Å; I414-L418 HydrophobicContact CG1-CD1 4.41Å; I414-L418 HydrophobicContact CG1-CG 4.32Å; I414-L418 PolarHBondContact O-N 3.37Å
415K96.8Very high86.6Confident78 Ų7880.9 Ų80.934%0.33942%0.423SS..Hα-helixtrans-54.4-38177-73.8-175.6176.6-1720112.4F86 D413 M417 L418 I419 W425F86-K415 HydrophobicContact CE1-CG 3.85Å; F86-K415 HydrophobicContact CZ-CG 4.16Å; D413-K415 PolarHBondContact O-N 3.4Å; D413-K415 VanDerWaalsContact O-N 3.09Å; D413-K415 PolarHBondContact OD1-N 3.39Å; K415-M417 PolarHBondContact O-N 3.46Å; K415-L418 PolarHBondContact O-N 2.64Å; K415-I419 WeakPolarHBondContact O-CB 3.19Å; K415-I419 WeakPolarHBondContact O-CD1 3.22Å; K415-I419 WeakPolarHBondContact O-CG1 3.29Å; K415-I419 PolarHBondContact O-N 2.91Å; K415-W425 HydrophobicContact CD-CZ2 4.37Å; K415-W425 HydrophobicContact CG-CZ2 4.25Å
416Q95.9Very high88.1Confident89 Ų8973.6 Ų73.642%0.41639%0.385SS..Hα-helixtrans-60.2-47.9178.4-178.4177.2-12.400110.9M412 D413 I414 L418 I419 E420M412-Q416 HydrophobicContact CG-CB 4.27Å; D413-Q416 WeakPolarHBondContact O-CB 3.2Å; D413-Q416 PolarHBondContact O-N 2.87Å; I414-Q416 PolarHBondContact O-N 3.06Å; Q416-L418 VanDerWaalsContact C-N 3.35Å; Q416-L418 PolarHBondContact O-N 3.47Å; Q416-I419 PolarHBondContact O-N 2.76Å; Q416-E420 HydrophobicContact CG-CG 4.5Å; Q416-E420 VanDerWaalsContact CG-OE1 3.31Å; Q416-E420 WeakPolarHBondContact CG-OE1 3.44Å; Q416-E420 PolarHBondContact NE2-OE1 3.01Å; Q416-E420 WeakPolarHBondContact O-CB 3.41Å; Q416-E420 WeakPolarHBondContact O-CG 3.37Å; Q416-E420 PolarHBondContact O-N 3.18Å
417M96.2Very high89.8Confident21 Ų2172.6 Ų72.610%0.10337%0.369CS..Hα-helixtrans-64.2-38.1178.2-174.4178.1-66.900112.4V95 N99 L103 I414 K415 R421V95-M417 HydrophobicContact CG1-CG 4.43Å; V95-M417 HydrophobicContact CG1-SD 4.08Å; N99-M417 HydrophobicContact CB-CE 3.97Å; N99-M417 HydrophobicContact CB-SD 3.7Å; L103-M417 HydrophobicContact CD1-CE 4.06Å; I414-M417 HydrophobicContact CD1-CB 4.4Å; I414-M417 HydrophobicContact CD1-SD 4.27Å; I414-M417 PolarHBondContact O-N 2.87Å; I414-M417 VanDerWaalsContact O-N 3.09Å; K415-M417 PolarHBondContact O-N 3.46Å; M417-R421 WeakPolarHBondContact O-CB 3.38Å; M417-R421 WeakPolarHBondContact O-CG 3.43Å; M417-R421 PolarHBondContact O-N 2.7Å; M417-R421 VanDerWaalsContact O-N 3.12Å; M417-R421 PolarHBondContact SD-NH1 3.31Å
418L97.8Very high91.4Very high0 Ų071 Ų710%036%0.355CS..Hα-helixtrans-65.5-40.9176.1-65176.7000111.8F86 V89 V95 I414 K415 Q416 R421 N422 V423 W425F86-L418 HydrophobicContact CD1-CD1 3.71Å; F86-L418 HydrophobicContact CE1-CD1 4Å; V89-L418 HydrophobicContact CG1-CD2 3.9Å; V89-L418 HydrophobicContact CG2-CD1 4.26Å; V89-L418 HydrophobicContact CG2-CD2 4.27Å; V95-L418 HydrophobicContact CG1-CD2 3.73Å; I414-L418 HydrophobicContact CG1-CD1 4.41Å; I414-L418 HydrophobicContact CG1-CG 4.32Å; I414-L418 PolarHBondContact O-N 3.37Å; K415-L418 PolarHBondContact O-N 2.64Å; Q416-L418 VanDerWaalsContact C-N 3.35Å; Q416-L418 PolarHBondContact O-N 3.47Å; L418-R421 CarbonylContact O-C 3.59Å; L418-R421 PolarHBondContact O-N 2.83Å; L418-N422 PolarHBondContact O-N 3.43Å; L418-N422 VanDerWaalsContact O-N 3.15Å; L418-V423 HydrophobicContact CB-CB 4.31Å; L418-V423 HydrophobicContact CD2-CB 4.09Å; L418-V423 HydrophobicContact CD2-CG1 4.13Å; L418-V423 HydrophobicContact CD2-CG2 4.23Å; L418-V423 PolarHBondContact O-N 3.12Å; L418-W425 HydrophobicContact CB-CE3 3.88Å; L418-W425 HydrophobicContact CB-CZ3 3.9Å; L418-W425 HydrophobicContact CD1-CD2 4.19Å; L418-W425 HydrophobicContact CD1-CE3 4.03Å; L418-W425 HydrophobicContact CD1-CG 4.49Å
419I97.4Very high93Very high110 Ų11070.3 Ų70.356%0.56434%0.341SS*.Hα-helixtrans-65.2-49.1176.2-68.4163000110.8K415 Q416 R421 N422 W425K415-I419 WeakPolarHBondContact O-CB 3.19Å; K415-I419 WeakPolarHBondContact O-CD1 3.22Å; K415-I419 WeakPolarHBondContact O-CG1 3.29Å; K415-I419 PolarHBondContact O-N 2.91Å; Q416-I419 PolarHBondContact O-N 2.76Å; I419-R421 PolarHBondContact O-N 3.05Å; I419-N422 PolarHBondContact O-N 3.34Å; I419-W425 HydrophobicContact CD1-CH2 4.32Å; I419-W425 HydrophobicContact CG1-CH2 3.91Å; I419-W425 HydrophobicContact CG1-CZ3 4Å
420E96.9Very high94.4Very high132 Ų13268.1 Ų68.162%0.61734%0.335SS*.Hα-helixtrans-58-30.9178.3-74.6171.1-172.700112.3Q416Q416-E420 HydrophobicContact CG-CG 4.5Å; Q416-E420 VanDerWaalsContact CG-OE1 3.31Å; Q416-E420 WeakPolarHBondContact CG-OE1 3.44Å; Q416-E420 PolarHBondContact NE2-OE1 3.01Å; Q416-E420 WeakPolarHBondContact O-CB 3.41Å; Q416-E420 WeakPolarHBondContact O-CG 3.37Å; Q416-E420 PolarHBondContact O-N 3.18Å
421R97Very high95.6Very high112 Ų11265.8 Ų65.842%0.42332%0.315SS..THydrogen-bonded Turntrans-92.85.1177.1-67.4-177.2-178.4155.15.7114.3D94 N99 M417 L418 I419 V423D94-R421 WeakPolarHBondContact O-CD 3.16Å; D94-R421 PolarHBondContact O-NH1 3.32Å; N99-R421 PolarHBondContact OD1-NH1 3.24Å; N99-R421 VanDerWaalsContact OD1-NH1 3.14Å; N99-R421 PolarHBondContact OD1-NH2 2.99Å; M417-R421 WeakPolarHBondContact O-CB 3.38Å; M417-R421 WeakPolarHBondContact O-CG 3.43Å; M417-R421 PolarHBondContact O-N 2.7Å; M417-R421 VanDerWaalsContact O-N 3.12Å; M417-R421 PolarHBondContact SD-NH1 3.31Å; L418-R421 CarbonylContact O-C 3.59Å; L418-R421 PolarHBondContact O-N 2.83Å; I419-R421 PolarHBondContact O-N 3.05Å; R421-V423 HydrophobicContact CB-CG2 3.88Å; R421-V423 PolarHBondContact O-N 2.96Å
422N96.8Very high96.4Very high146 Ų14660.3 Ų60.378%0.78128%0.284SS*.THydrogen-bonded Turntrans54.537.1-179.4-164.732.7000113.6L418 I419L418-N422 PolarHBondContact O-N 3.43Å; L418-N422 VanDerWaalsContact O-N 3.15Å; I419-N422 PolarHBondContact O-N 3.34Å
423V97.4Very high96.8Very high18 Ų1861.1 Ų61.111%0.10929%0.285CS..  trans-83.2120.6178.5-178.10000108.8V89 D94 L418 R421 W425V89-V423 HydrophobicContact CG2-CG1 4.17Å; D94-V423 HydrophobicContact CB-CG1 4.33Å; D94-V423 HydrophobicContact CB-CG2 3.88Å; L418-V423 HydrophobicContact CB-CB 4.31Å; L418-V423 HydrophobicContact CD2-CB 4.09Å; L418-V423 HydrophobicContact CD2-CG1 4.13Å; L418-V423 HydrophobicContact CD2-CG2 4.23Å; L418-V423 PolarHBondContact O-N 3.12Å; R421-V423 HydrophobicContact CB-CG2 3.88Å; R421-V423 PolarHBondContact O-N 2.96Å; V423-W425 VanDerWaalsContact O-CE3 3.27Å; V423-W425 PolarHBondContact O-N 2.8Å
424R95.7Very high96.9Very high119 Ų11958.5 Ų58.545%0.44927%0.271SS..  trans-80.4111.9170.5-62.2-170.8-64.3168.31.7108.6N88 E456 L463N88-R424 PolarHBondContact ND2-O 3.19Å; R424-E456 IonicContact CZ-OE1 3.31Å; R424-E456 IonicContact CZ-OE2 3.2Å; R424-E456 IonicContact NH1-OE1 2.77Å; R424-E456 PolarHBondContact NH1-OE1 3.08Å; R424-E456 IonicContact NH1-OE2 2.72Å; R424-E456 IonicContact NH2-OE1 3.54Å; R424-E456 PolarHBondContact NH2-OE1 2.61Å; R424-E456 IonicContact NH2-OE2 3.68Å; R424-E456 PolarHBondContact NH2-OE2 2.8Å; R424-L463 HydrophobicContact CB-CD1 4.36Å
425W97.7Very high97Very high47 Ų4759 Ų5918%0.17827%0.274CS..  trans-110.7157.7175.37588.1000112F86 G87 V89 K415 L418 I419 V423 Q430 L463F86-W425 AromaticContact CD1-CD1 3.78Å; F86-W425 HydrophobicContact CD1-CG 4.08Å; G87-W425 CarbonylContact O-C 3.56Å; G87-W425 WeakPolarHBondContact O-CA 3.38Å; G87-W425 WeakPolarHBondContact O-CB 3.28Å; V89-W425 HydrophobicContact CG2-CB 3.57Å; K415-W425 HydrophobicContact CD-CZ2 4.37Å; K415-W425 HydrophobicContact CG-CZ2 4.25Å; L418-W425 HydrophobicContact CB-CE3 3.88Å; L418-W425 HydrophobicContact CB-CZ3 3.9Å; L418-W425 HydrophobicContact CD1-CD2 4.19Å; L418-W425 HydrophobicContact CD1-CE3 4.03Å; L418-W425 HydrophobicContact CD1-CG 4.49Å; I419-W425 HydrophobicContact CD1-CH2 4.32Å; I419-W425 HydrophobicContact CG1-CH2 3.91Å; I419-W425 HydrophobicContact CG1-CZ3 4Å; V423-W425 VanDerWaalsContact O-CE3 3.27Å; V423-W425 PolarHBondContact O-N 2.8Å; W425-Q430 PolarHBondContact O-OE1 2.86Å; W425-L463 WeakPolarHBondContact O-CD2 3.47Å
426V98.2Very high97Very high0 Ų061.3 Ų61.30%029%0.286CS..BIsolated β-bridgetrans-105.4119.2172.4174.30000108.6P48 F85 G87 Q430 W431 L459 A462 L463P48-V426 HydrophobicContact CB-CG2 4.14Å; F85-V426 WeakPolarHBondContact CD1-O 3.42Å; G87-V426 PolarHBondContact N-O 3.33Å; G87-V426 PolarHBondContact O-N 2.8Å; V426-Q430 HydrophobicContact CG1-CB 3.84Å; V426-W431 HydrophobicContact CG1-CB 4.01Å; V426-L459 HydrophobicContact CG2-CD2 3.72Å; V426-A462 HydrophobicContact CG1-CB 3.98Å; V426-A462 HydrophobicContact CG2-CB 3.91Å; V426-L463 HydrophobicContact CG2-CD2 4.26Å
427D97.5Very high97.1Very high49 Ų4958.2 Ų58.226%0.26227%0.273SS..  trans-82178.1171.870.834.5000112.7F85 D429 Q430 W431F85-D427 WeakPolarHBondContact O-CA 3.37Å; D427-D429 PolarHBondContact O-N 3.11Å; D427-D429 PolarHBondContact OD1-N 3.3Å; D427-D429 VanDerWaalsContact OD1-N 3.09Å; D427-Q430 PolarHBondContact O-N 3.42Å; D427-Q430 WeakPolarHBondContact OD1-CB 3.38Å; D427-Q430 VanDerWaalsContact OD1-CG 3.24Å; D427-Q430 WeakPolarHBondContact OD1-CG 3.39Å; D427-Q430 PolarHBondContact OD1-N 3.27Å; D427-W431 WeakPolarHBondContact O-CB 3.38Å; D427-W431 PolarHBondContact O-N 2.88Å
428W96.8Very high97.2Very high22 Ų2257.2 Ų57.28%0.08327%0.268CS..Hα-helixtrans-62.3-42.9-176.2-173-106.8000112.8P50 F51 E73 I76 N77 F83 F85 W431 K432P50-W428 HydrophobicContact CB-CZ3 4.43Å; P50-W428 HydrophobicContact CG-CZ3 4.07Å; F51-W428 HydrophobicContact CE1-CH2 4.38Å; F51-W428 AromaticContact CZ-CH2 3.79Å; F51-W428 HydrophobicContact CZ-CH2 3.79Å; F51-W428 HydrophobicContact CZ-CZ3 4.37Å; E73-W428 HydrophobicContact CB-CZ2 4.38Å; E73-W428 HydrophobicContact CG-CH2 4.12Å; E73-W428 HydrophobicContact CG-CZ2 3.97Å; I76-W428 HydrophobicContact CB-CH2 4.45Å; I76-W428 HydrophobicContact CB-CZ2 4.03Å; I76-W428 HydrophobicContact CD1-CH2 3.38Å; I76-W428 HydrophobicContact CD1-CZ2 3.84Å; I76-W428 HydrophobicContact CD1-CZ3 3.84Å; I76-W428 HydrophobicContact CG1-CH2 4.48Å; I76-W428 HydrophobicContact CG2-CD2 3.89Å; I76-W428 VanDerWaalsContact CG2-CE2 3.46Å; I76-W428 HydrophobicContact CG2-CE3 4.42Å; I76-W428 HydrophobicContact CG2-CG 4.35Å; I76-W428 HydrophobicContact CG2-CH2 4.19Å; I76-W428 HydrophobicContact CG2-CZ2 3.63Å; N77-W428 PolarHBondContact OD1-NE1 2.91Å; F83-W428 HydrophobicContact CE1-CD2 4.24Å; F83-W428 AromaticContact CE1-CE3 3.91Å; F83-W428 HydrophobicContact CE1-CE3 3.91Å; F83-W428 HydrophobicContact CE1-CZ3 4.31Å; F85-W428 HydrophobicContact CB-CB 4.11Å; F85-W428 HydrophobicContact CB-CE3 3.92Å; F85-W428 HydrophobicContact CD1-CE3 4.48Å; F85-W428 HydrophobicContact CG-CE3 4.19Å; W428-W431 AromaticContact CE3-CD1 3.9Å; W428-W431 AromaticContact CZ3-CD1 3.93Å; W428-W431 WeakPolarHBondContact O-CB 2.99Å; W428-W431 PolarHBondContact O-N 3.43Å; W428-K432 WeakPolarHBondContact O-CG 3.43Å; W428-K432 PolarHBondContact O-N 3.08Å
429D95.8Very high97.1Very high114 Ų11459.2 Ų59.261%0.6128%0.28SS*.Hα-helixtrans-70.7-38.2-178.3-66.6-30.4000111D427 K432 K433D427-D429 PolarHBondContact O-N 3.11Å; D427-D429 PolarHBondContact OD1-N 3.3Å; D427-D429 VanDerWaalsContact OD1-N 3.09Å; D429-K432 PolarHBondContact O-N 2.87Å; D429-K433 PolarHBondContact O-N 3.31Å; D429-K433 VanDerWaalsContact O-N 3.13Å
430Q97.7Very high97.2Very high41 Ų4160.6 Ų60.619%0.19228%0.278CS..Hα-helixtrans-63.4-41.5172.3-69.8173.2-27.200111.8W425 V426 D427 K432 K433 L434 A462W425-Q430 PolarHBondContact O-OE1 2.86Å; V426-Q430 HydrophobicContact CG1-CB 3.84Å; D427-Q430 PolarHBondContact O-N 3.42Å; D427-Q430 WeakPolarHBondContact OD1-CB 3.38Å; D427-Q430 VanDerWaalsContact OD1-CG 3.24Å; D427-Q430 WeakPolarHBondContact OD1-CG 3.39Å; D427-Q430 PolarHBondContact OD1-N 3.27Å; Q430-K432 VanDerWaalsContact C-N 3.34Å; Q430-K432 PolarHBondContact O-N 2.77Å; Q430-K433 WeakPolarHBondContact O-CB 3.32Å; Q430-K433 PolarHBondContact O-N 3.24Å; Q430-L434 PolarHBondContact O-N 2.79Å; Q430-A462 HydrophobicContact CB-CB 4.31Å; Q430-A462 VanDerWaalsContact CB-O 3.31Å; Q430-A462 WeakPolarHBondContact CB-O 3.16Å; Q430-A462 WeakPolarHBondContact CG-O 3.46Å
431W96.8Very high97.2Very high2 Ų258.4 Ų58.41%0.00826%0.264CS..Hα-helixtrans-58.3-45.6170.1154.7-113000111.2V49 P50 F51 F85 V426 D427 W428 K433 L434 D435V49-W431 HydrophobicContact CB-CE3 3.8Å; V49-W431 HydrophobicContact CB-CH2 4.22Å; V49-W431 HydrophobicContact CB-CZ3 3.52Å; V49-W431 HydrophobicContact CG1-CE3 3.62Å; V49-W431 HydrophobicContact CG1-CH2 4.35Å; V49-W431 HydrophobicContact CG1-CZ3 3.3Å; P50-W431 HydrophobicContact CG-CD2 3.74Å; P50-W431 VanDerWaalsContact CG-CE2 3.47Å; P50-W431 HydrophobicContact CG-CG 3.85Å; P50-W431 HydrophobicContact CG-CZ2 4.07Å; F51-W431 HydrophobicContact CD2-CZ2 4.34Å; F51-W431 AromaticContact CE2-CZ2 3.98Å; F51-W431 HydrophobicContact CE2-CZ2 3.98Å; F51-W431 AromaticContact CE2-NE1 3.97Å; F85-W431 HydrophobicContact CD1-CB 4.43Å; F85-W431 HydrophobicContact CE1-CB 4.32Å; V426-W431 HydrophobicContact CG1-CB 4.01Å; D427-W431 WeakPolarHBondContact O-CB 3.38Å; D427-W431 PolarHBondContact O-N 2.88Å; W428-W431 AromaticContact CE3-CD1 3.9Å; W428-W431 AromaticContact CZ3-CD1 3.93Å; W428-W431 WeakPolarHBondContact O-CB 2.99Å; W428-W431 PolarHBondContact O-N 3.43Å; W431-K433 VanDerWaalsContact C-N 3.26Å; W431-K433 PolarHBondContact O-N 3.27Å; W431-L434 HydrophobicContact CE3-CB 4.34Å; W431-L434 HydrophobicContact CE3-CD2 4.2Å; W431-L434 HydrophobicContact CE3-CG 4.37Å; W431-L434 HydrophobicContact CZ3-CD2 4.17Å; W431-L434 HydrophobicContact CZ3-CG 4.18Å; W431-L434 WeakPolarHBondContact O-CB 3.33Å; W431-L434 PolarHBondContact O-N 3.31Å; W431-D435 HydrophobicContact CD2-CB 4.39Å; W431-D435 HydrophobicContact CH2-CB 3.98Å; W431-D435 HydrophobicContact CZ2-CB 3.8Å; W431-D435 WeakPolarHBondContact CZ2-OD1 3.35Å; W431-D435 HydrophobicContact CZ3-CB 4.35Å; W431-D435 WeakPolarHBondContact O-CB 3.21Å; W431-D435 PolarHBondContact O-N 2.84Å
432K96.6Very high97.2Very high43 Ų4353 Ų5319%0.18724%0.244CC..Hα-helixtrans-60.3-33.2179.4-70-54.5-61.1172.10113.1E73 W428 D429 Q430 D435 E436E73-K432 IonicContact OE1-NZ 3.59Å; E73-K432 PolarHBondContact OE1-NZ 2.92Å; E73-K432 IonicContact OE2-NZ 3.61Å; W428-K432 WeakPolarHBondContact O-CG 3.43Å; W428-K432 PolarHBondContact O-N 3.08Å; D429-K432 PolarHBondContact O-N 2.87Å; Q430-K432 VanDerWaalsContact C-N 3.34Å; Q430-K432 PolarHBondContact O-N 2.77Å; K432-D435 IonicContact NZ-OD2 2.93Å; K432-D435 PolarHBondContact NZ-OD2 2.83Å; K432-D435 WeakPolarHBondContact O-CB 3.37Å; K432-D435 PolarHBondContact O-N 2.89Å; K432-E436 WeakPolarHBondContact O-CB 3.4Å; K432-E436 VanDerWaalsContact O-CG 3.27Å; K432-E436 WeakPolarHBondContact O-CG 3.49Å; K432-E436 PolarHBondContact O-N 3.43Å
433K97Very high97.2Very high84 Ų8452.2 Ų52.237%0.36524%0.236SC..Hα-helixtrans-63.8-42.9172.3-64.9172.9-174.21740112.8D429 Q430 W431 T437D429-K433 PolarHBondContact O-N 3.31Å; D429-K433 VanDerWaalsContact O-N 3.13Å; Q430-K433 WeakPolarHBondContact O-CB 3.32Å; Q430-K433 PolarHBondContact O-N 3.24Å; W431-K433 VanDerWaalsContact C-N 3.26Å; W431-K433 PolarHBondContact O-N 3.27Å; K433-T437 PolarHBondContact O-N 2.7Å; K433-T437 PolarHBondContact O-OG1 2.69Å
434L97.5Very high97.1Very high0 Ų057.7 Ų57.70%026%0.264CS..Hα-helixtrans-64.1-45.6174.317357.8000110.5V49 Q430 W431 E436 T437 E438 V452 M458 I461 A462V49-L434 HydrophobicContact CG1-CD2 3.5Å; V49-L434 VanDerWaalsContact CG1-CD2 3.5Å; Q430-L434 PolarHBondContact O-N 2.79Å; W431-L434 HydrophobicContact CE3-CB 4.34Å; W431-L434 HydrophobicContact CE3-CD2 4.2Å; W431-L434 HydrophobicContact CE3-CG 4.37Å; W431-L434 HydrophobicContact CZ3-CD2 4.17Å; W431-L434 HydrophobicContact CZ3-CG 4.18Å; W431-L434 WeakPolarHBondContact O-CB 3.33Å; W431-L434 PolarHBondContact O-N 3.31Å; L434-E436 PolarHBondContact O-N 2.81Å; L434-T437 WeakPolarHBondContact O-CB 3.31Å; L434-T437 PolarHBondContact O-N 3.02Å; L434-T437 VanDerWaalsContact O-N 3.1Å; L434-E438 HydrophobicContact CD1-CG 4.26Å; L434-E438 WeakPolarHBondContact O-CG 3.33Å; L434-E438 PolarHBondContact O-N 2.88Å; L434-V452 HydrophobicContact CD1-CB 4.11Å; L434-V452 HydrophobicContact CD1-CG2 3.75Å; L434-M458 HydrophobicContact CD2-CB 3.75Å; L434-M458 HydrophobicContact CD2-CG 3.85Å; L434-I461 HydrophobicContact CB-CG2 4.21Å; L434-I461 HydrophobicContact CD1-CB 4.15Å; L434-I461 HydrophobicContact CD1-CD1 4.07Å; L434-I461 HydrophobicContact CD1-CG2 3.96Å; L434-A462 HydrophobicContact CB-CB 4.4Å
435D97.3Very high97Very high13 Ų1354.2 Ų54.27%0.0726%0.261CS..Hα-helixtrans-53.8-49.8176-172.360.2000112.4W431 K432 T437 E438 V439 R449W431-D435 HydrophobicContact CD2-CB 4.39Å; W431-D435 HydrophobicContact CH2-CB 3.98Å; W431-D435 HydrophobicContact CZ2-CB 3.8Å; W431-D435 WeakPolarHBondContact CZ2-OD1 3.35Å; W431-D435 HydrophobicContact CZ3-CB 4.35Å; W431-D435 WeakPolarHBondContact O-CB 3.21Å; W431-D435 PolarHBondContact O-N 2.84Å; K432-D435 IonicContact NZ-OD2 2.93Å; K432-D435 PolarHBondContact NZ-OD2 2.83Å; K432-D435 WeakPolarHBondContact O-CB 3.37Å; K432-D435 PolarHBondContact O-N 2.89Å; D435-T437 VanDerWaalsContact C-N 3.32Å; D435-T437 PolarHBondContact O-N 3Å; D435-E438 PolarHBondContact O-N 2.84Å; D435-V439 WeakPolarHBondContact O-CG2 3.14Å; D435-V439 PolarHBondContact O-N 2.89Å; D435-R449 IonicContact OD1-CZ 3.98Å; D435-R449 IonicContact OD1-NH1 2.76Å; D435-R449 PolarHBondContact OD1-NH1 3.38Å; D435-R449 IonicContact OD1-NH2 3.93Å; D435-R449 PolarHBondContact OD1-NH2 2.93Å; D435-R449 IonicContact OD2-NH2 3.83Å
436E97.2Very high96.9Very high125 Ų12558.2 Ų58.258%0.58429%0.285SS*.Hα-helixtrans-60.5-39.9175.8-75.1169.4-173.200112.2K432 L434 V439 R440K432-E436 WeakPolarHBondContact O-CB 3.4Å; K432-E436 VanDerWaalsContact O-CG 3.27Å; K432-E436 WeakPolarHBondContact O-CG 3.49Å; K432-E436 PolarHBondContact O-N 3.43Å; L434-E436 PolarHBondContact O-N 2.81Å; E436-V439 PolarHBondContact O-N 2.78Å; E436-R440 VanDerWaalsContact O-CB 3.3Å; E436-R440 WeakPolarHBondContact O-CB 3.44Å; E436-R440 PolarHBondContact O-N 3.32Å
437T97.8Very high96.7Very high25 Ų2559 Ų5915%0.15329%0.288CS..Hα-helixtrans-63.6-43.2176.5-64.10000111.5K433 L434 D435 R440 R441 I461K433-T437 PolarHBondContact O-N 2.7Å; K433-T437 PolarHBondContact O-OG1 2.69Å; L434-T437 WeakPolarHBondContact O-CB 3.31Å; L434-T437 PolarHBondContact O-N 3.02Å; L434-T437 VanDerWaalsContact O-N 3.1Å; D435-T437 VanDerWaalsContact C-N 3.32Å; D435-T437 PolarHBondContact O-N 3Å; T437-R440 PolarHBondContact O-N 3.18Å; T437-R441 WeakPolarHBondContact O-CB 3.39Å; T437-R441 VanDerWaalsContact O-CG 3.31Å; T437-R441 WeakPolarHBondContact O-CG 3.47Å; T437-R441 PolarHBondContact O-N 3.09Å; T437-I461 HydrophobicContact CG2-CD1 4.12Å; T437-I461 HydrophobicContact CG2-CG2 4.22Å
438E97.7Very high96.5Very high0 Ų061.3 Ų61.30%030%0.301CS..Hα-helixtrans-65.4-41176.6-66.1-172.915200112.6R55 L434 D435 R441 G442 R449 Q450 K451 V452R55-E438 IonicContact CZ-OE1 2.71Å; R55-E438 IonicContact CZ-OE2 3.65Å; R55-E438 IonicContact NH1-OE1 2.66Å; R55-E438 IonicContact NH1-OE2 2.98Å; R55-E438 PolarHBondContact NH1-OE2 3.34Å; R55-E438 IonicContact NH2-OE1 3.65Å; R55-E438 PolarHBondContact NH2-OE1 3.05Å; R55-E438 IonicContact NH2-OE2 3.71Å; R55-E438 PolarHBondContact NH2-OE2 2.87Å; L434-E438 HydrophobicContact CD1-CG 4.26Å; L434-E438 WeakPolarHBondContact O-CG 3.33Å; L434-E438 PolarHBondContact O-N 2.88Å; D435-E438 PolarHBondContact O-N 2.84Å; E438-R441 PolarHBondContact O-N 2.81Å; E438-G442 PolarHBondContact O-N 2.99Å; E438-R449 HydrophobicContact CB-CG 3.76Å; E438-R449 IonicContact OE2-CZ 3.36Å; E438-R449 IonicContact OE2-NH1 3.15Å; E438-R449 PolarHBondContact OE2-NH1 2.67Å; E438-Q450 VanDerWaalsContact CA-O 3.32Å; E438-Q450 WeakPolarHBondContact CA-O 3.5Å; E438-Q450 WeakPolarHBondContact CB-O 3.24Å; E438-Q450 PolarHBondContact O-N 3.15Å; E438-K451 WeakPolarHBondContact OE1-CA 3.42Å; E438-V452 HydrophobicContact CG-CG2 4.1Å; E438-V452 PolarHBondContact OE1-N 2.87Å
439V97.3Very high96.4Very high42 Ų4262.4 Ų62.426%0.25531%0.305SS..Hα-helixtrans-62.9-47175.41710000110.1D435 E436 R441 G442 Q443D435-V439 WeakPolarHBondContact O-CG2 3.14Å; D435-V439 PolarHBondContact O-N 2.89Å; E436-V439 PolarHBondContact O-N 2.78Å; V439-R441 PolarHBondContact O-N 2.82Å; V439-G442 WeakPolarHBondContact O-CA 3.36Å; V439-G442 PolarHBondContact O-N 3.27Å; V439-G442 VanDerWaalsContact O-N 3.1Å; V439-Q443 WeakPolarHBondContact O-CG 3.48Å; V439-Q443 PolarHBondContact O-N 2.7Å
440R98Very high96.4Very high138 Ų13858.5 Ų58.552%0.52128%0.283SS..Hα-helixtrans-59.9-45.5176.8-176.8-179.265.6105.2-2.7112.1E436 T437 G442 Q443 L444E436-R440 VanDerWaalsContact O-CB 3.3Å; E436-R440 WeakPolarHBondContact O-CB 3.44Å; E436-R440 PolarHBondContact O-N 3.32Å; T437-R440 PolarHBondContact O-N 3.18Å; R440-G442 VanDerWaalsContact C-N 3.26Å; R440-G442 PolarHBondContact O-N 3.19Å; R440-Q443 PolarHBondContact O-N 2.83Å; R440-L444 WeakPolarHBondContact O-CG 3.31Å; R440-L444 PolarHBondContact O-N 2.88Å; R440-L444 VanDerWaalsContact O-N 3.08Å
441R97.5Very high96.4Very high86 Ų8656.9 Ų56.933%0.32528%0.275SS..Hα-helixtrans-60.6-38.2174.6-72.8179.1-177-164.43111.3T437 E438 V439 A445 Q450 E457T437-R441 WeakPolarHBondContact O-CB 3.39Å; T437-R441 VanDerWaalsContact O-CG 3.31Å; T437-R441 WeakPolarHBondContact O-CG 3.47Å; T437-R441 PolarHBondContact O-N 3.09Å; E438-R441 PolarHBondContact O-N 2.81Å; V439-R441 PolarHBondContact O-N 2.82Å; R441-A445 PolarHBondContact O-N 3.16Å; R441-Q450 HydrophobicContact CB-CB 3.79Å; R441-Q450 HydrophobicContact CB-CG 4.3Å; R441-E457 IonicContact CZ-OE1 2.64Å; R441-E457 IonicContact NH1-OE1 3.07Å; R441-E457 PolarHBondContact NH1-OE1 3.18Å; R441-E457 IonicContact NH1-OE2 2.64Å; R441-E457 IonicContact NH2-OE1 3.42Å; R441-E457 PolarHBondContact NH2-OE1 3.4Å
442G96.7Very high96.4Very high0 Ų056.9 Ų56.90%028%0.275CS..Hα-helixtrans-61.4-50.1173.900000112.6E438 V439 R440 L444 A445 N446 K447E438-G442 PolarHBondContact O-N 2.99Å; V439-G442 WeakPolarHBondContact O-CA 3.36Å; V439-G442 PolarHBondContact O-N 3.27Å; V439-G442 VanDerWaalsContact O-N 3.1Å; R440-G442 VanDerWaalsContact C-N 3.26Å; R440-G442 PolarHBondContact O-N 3.19Å; G442-L444 VanDerWaalsContact C-N 3.33Å; G442-L444 PolarHBondContact O-N 3.15Å; G442-A445 CarbonylContact O-C 3.34Å; G442-A445 VanDerWaalsContact O-C 3.3Å; G442-A445 WeakPolarHBondContact O-CA 3.49Å; G442-A445 PolarHBondContact O-N 3.31Å; G442-N446 PolarHBondContact O-N 3.47Å; G442-K447 CarbonylContact C-O 3.04Å; G442-K447 PolarHBondContact O-N 3.28Å; G442-K447 VanDerWaalsContact O-O 3.12Å
443Q96.6Very high96.3Very high128 Ų12856.8 Ų56.860%0.59828%0.278SS*.Hα-helixtrans-57.1-44.7178.4-71.4171.4-12.800112V439 R440 A445 N446 K447V439-Q443 WeakPolarHBondContact O-CG 3.48Å; V439-Q443 PolarHBondContact O-N 2.7Å; R440-Q443 PolarHBondContact O-N 2.83Å; Q443-A445 PolarHBondContact O-N 2.87Å; Q443-N446 PolarHBondContact O-N 3.01Å; Q443-K447 PolarHBondContact N-O 2.79Å
444L96.4Very high96.3Very high134 Ų13455.6 Ų55.670%0.70228%0.276SS*.Hα-helixtrans-62-26.4175.7-68.4171.8000113R440 G442R440-L444 WeakPolarHBondContact O-CG 3.31Å; R440-L444 PolarHBondContact O-N 2.88Å; R440-L444 VanDerWaalsContact O-N 3.08Å; G442-L444 VanDerWaalsContact C-N 3.33Å; G442-L444 PolarHBondContact O-N 3.15Å
445A93.6Very high96.2Very high46 Ų4659.7 Ų59.738%0.3830%0.295SS..THydrogen-bonded Turntrans-97.910.9176.900000113.6R441 G442 Q443 K447R441-A445 PolarHBondContact O-N 3.16Å; G442-A445 CarbonylContact O-C 3.34Å; G442-A445 VanDerWaalsContact O-C 3.3Å; G442-A445 WeakPolarHBondContact O-CA 3.49Å; G442-A445 PolarHBondContact O-N 3.31Å; Q443-A445 PolarHBondContact O-N 2.87Å; A445-K447 VanDerWaalsContact C-N 3.33Å; A445-K447 HydrophobicContact CB-CG 4.18Å; A445-K447 WeakPolarHBondContact O-CG 3.47Å; A445-K447 PolarHBondContact O-N 2.89Å
446N94.1Very high96.1Very high130 Ų13063.6 Ų63.670%0.69531%0.313SS*.THydrogen-bonded Turntrans57.338.6-175.6-61.7-51.6000114.5H183 G442 Q443H183-N446 PolarHBondContact ND1-O 2.94Å; G442-N446 PolarHBondContact O-N 3.47Å; Q443-N446 PolarHBondContact O-N 3.01Å
447K95.1Very high96.1Very high16 Ų1660.6 Ų60.67%0.0730%0.299CS..SBendtrans-127.1164.5177.5-42.3-161.8178.8163.20112.3Q182 E188 G442 Q443 A445 R449Q182-K447 WeakPolarHBondContact O-CD 3.33Å; Q182-K447 WeakPolarHBondContact O-CE 3.14Å; Q182-K447 WeakPolarHBondContact O-CG 3.38Å; E188-K447 IonicContact OE2-NZ 3.39Å; E188-K447 PolarHBondContact OE2-NZ 3.3Å; G442-K447 CarbonylContact C-O 3.04Å; G442-K447 PolarHBondContact O-N 3.28Å; G442-K447 VanDerWaalsContact O-O 3.12Å; Q443-K447 PolarHBondContact N-O 2.79Å; A445-K447 VanDerWaalsContact C-N 3.33Å; A445-K447 HydrophobicContact CB-CG 4.18Å; A445-K447 WeakPolarHBondContact O-CG 3.47Å; A445-K447 PolarHBondContact O-N 2.89Å; K447-R449 VanDerWaalsContact C-N 3.29Å; K447-R449 PolarHBondContact O-N 2.87Å
448L92.5Very high96.1Very high99 Ų9959.4 Ų59.452%0.51829%0.291SS..SBendtrans-59.2-38.6172.3-69173.2000113V63 H183V63-L448 HydrophobicContact CG1-CD1 3.85Å; V63-L448 HydrophobicContact CG2-CD1 3.87Å; H183-L448 WeakPolarHBondContact O-CG 3.35Å; H183-L448 PolarHBondContact O-N 3.5Å; H183-L448 VanDerWaalsContact O-N 3.08Å
449R94.9Very high96.1Very high45 Ų4559.7 Ų59.717%0.1729%0.293CS..  trans-164.5142.4-174.3178.5-175.9-67.8-97.8-3.7110.2D185 D435 E438 K447 K451D185-R449 HydrophobicContact CB-CB 4.07Å; D435-R449 IonicContact OD1-CZ 3.98Å; D435-R449 IonicContact OD1-NH1 2.76Å; D435-R449 PolarHBondContact OD1-NH1 3.38Å; D435-R449 IonicContact OD1-NH2 3.93Å; D435-R449 PolarHBondContact OD1-NH2 2.93Å; D435-R449 IonicContact OD2-NH2 3.83Å; E438-R449 HydrophobicContact CB-CG 3.76Å; E438-R449 IonicContact OE2-CZ 3.36Å; E438-R449 IonicContact OE2-NH1 3.15Å; E438-R449 PolarHBondContact OE2-NH1 2.67Å; K447-R449 VanDerWaalsContact C-N 3.29Å; K447-R449 PolarHBondContact O-N 2.87Å; R449-K451 HydrophobicContact CG-CG 4.15Å
450Q96.6Very high96.1Very high31 Ų3163.2 Ų63.215%0.14531%0.307CS..  trans-117.6104.3165.6-179.556.459.800108.7E438 R441E438-Q450 VanDerWaalsContact CA-O 3.32Å; E438-Q450 WeakPolarHBondContact CA-O 3.5Å; E438-Q450 WeakPolarHBondContact CB-O 3.24Å; E438-Q450 PolarHBondContact O-N 3.15Å; R441-Q450 HydrophobicContact CB-CB 3.79Å; R441-Q450 HydrophobicContact CB-CG 4.3Å
451K96.3Very high96Very high7 Ų757.7 Ų57.73%0.0329%0.287CS..  trans-66.2141-177-66.3173.4-179.4160.20111.3R55 N140 D185 E438 R449R55-K451 PolarHBondContact O-NZ 3.29Å; N140-K451 WeakPolarHBondContact O-CD 3.41Å; N140-K451 WeakPolarHBondContact O-CE 3.11Å; N140-K451 PolarHBondContact O-NZ 3.12Å; D185-K451 WeakPolarHBondContact OD2-CE 3.46Å; D185-K451 IonicContact OD2-NZ 2.81Å; D185-K451 PolarHBondContact OD2-NZ 3.07Å; E438-K451 WeakPolarHBondContact OE1-CA 3.42Å; R449-K451 HydrophobicContact CG-CG 4.15Å
452V96.8Very high96Very high2 Ų253.6 Ų53.61%0.01227%0.272CS..  trans-73135.9159.8-179.60000106.1L434 E438 E457 M458 I461L434-V452 HydrophobicContact CD1-CB 4.11Å; L434-V452 HydrophobicContact CD1-CG2 3.75Å; E438-V452 HydrophobicContact CG-CG2 4.1Å; E438-V452 PolarHBondContact OE1-N 2.87Å; V452-E457 HydrophobicContact CG1-CB 3.79Å; V452-E457 HydrophobicContact CG1-CG 3.78Å; V452-M458 HydrophobicContact CB-CG 4.06Å; V452-M458 HydrophobicContact CG1-CG 3.71Å; V452-M458 WeakPolarHBondContact O-CE 3.27Å; V452-I461 HydrophobicContact CG2-CD1 3.74Å
453V95.9Very high95.9Very high41 Ų4156.1 Ų56.125%0.24829%0.285CS..  trans-115-22.2-176.3-61.80000112.8P143 Q146 T187P143-V453 VanDerWaalsContact CA-O 3.27Å; P143-V453 WeakPolarHBondContact CA-O 3.26Å; P143-V453 VanDerWaalsContact CB-O 3.24Å; P143-V453 WeakPolarHBondContact CB-O 3.19Å; P143-V453 WeakPolarHBondContact CG-O 3.38Å; Q146-V453 HydrophobicContact CB-CB 4.36Å; Q146-V453 HydrophobicContact CB-CG2 4.3Å; T187-V453 HydrophobicContact CG2-CG1 4.2Å
454D96.3Very high95.3Very high60 Ų6055.4 Ų55.432%0.32128%0.282SS..  trans-83128.1175.2-178.274.1000110.6E456 E457 M458D454-E456 PolarHBondContact O-N 3.47Å; D454-E456 WeakPolarHBondContact OD2-CA 3.29Å; D454-E456 PolarHBondContact OD2-N 2.87Å; D454-E457 HydrophobicContact CB-CB 3.97Å; D454-E457 PolarHBondContact O-N 3.44Å; D454-E457 PolarHBondContact OD2-N 3.22Å; D454-M458 VanDerWaalsContact O-CG 3.3Å; D454-M458 WeakPolarHBondContact O-CG 3.46Å; D454-M458 PolarHBondContact O-N 2.88Å
455E95.8Very high93.4Very high86 Ų8658 Ų5840%0.40229%0.287SS..Hα-helixtrans-67.2-34.4-177.1-85.9174.5172.200112.9P48 P143 M458 L459P48-E455 HydrophobicContact CG-CG 4.42Å; P143-E455 HydrophobicContact CB-CG 3.58Å; P143-E455 HydrophobicContact CG-CG 3.74Å; E455-M458 HydrophobicContact CG-SD 4.49Å; E455-M458 WeakPolarHBondContact O-CB 3.43Å; E455-M458 PolarHBondContact O-N 2.68Å; E455-L459 VanDerWaalsContact O-CG 3.31Å; E455-L459 WeakPolarHBondContact O-CG 3.44Å; E455-L459 PolarHBondContact O-N 3.07Å
456E96.1Very high91.1Very high95 Ų9559.4 Ų59.444%0.44430%0.299SS..Hα-helixtrans-74-36.8178.3-168.362.3-150.200110.7R424 D454 M458 L459 Q460R424-E456 IonicContact CZ-OE1 3.31Å; R424-E456 IonicContact CZ-OE2 3.2Å; R424-E456 IonicContact NH1-OE1 2.77Å; R424-E456 PolarHBondContact NH1-OE1 3.08Å; R424-E456 IonicContact NH1-OE2 2.72Å; R424-E456 IonicContact NH2-OE1 3.54Å; R424-E456 PolarHBondContact NH2-OE1 2.61Å; R424-E456 IonicContact NH2-OE2 3.68Å; R424-E456 PolarHBondContact NH2-OE2 2.8Å; D454-E456 PolarHBondContact O-N 3.47Å; D454-E456 WeakPolarHBondContact OD2-CA 3.29Å; D454-E456 PolarHBondContact OD2-N 2.87Å; E456-M458 VanDerWaalsContact C-N 3.34Å; E456-M458 PolarHBondContact O-N 3.38Å; E456-L459 PolarHBondContact O-N 2.98Å; E456-Q460 WeakPolarHBondContact O-CB 3.32Å; E456-Q460 PolarHBondContact O-N 2.69Å
457E97Very high88.2Confident61 Ų6162.2 Ų62.229%0.28531%0.307SS..Hα-helixtrans-61.4-41.9170.5-169.4-172.9176.100111.3R441 V452 D454 L459 Q460 I461R441-E457 IonicContact CZ-OE1 2.64Å; R441-E457 IonicContact NH1-OE1 3.07Å; R441-E457 PolarHBondContact NH1-OE1 3.18Å; R441-E457 IonicContact NH1-OE2 2.64Å; R441-E457 IonicContact NH2-OE1 3.42Å; R441-E457 PolarHBondContact NH2-OE1 3.4Å; V452-E457 HydrophobicContact CG1-CB 3.79Å; V452-E457 HydrophobicContact CG1-CG 3.78Å; D454-E457 HydrophobicContact CB-CB 3.97Å; D454-E457 PolarHBondContact O-N 3.44Å; D454-E457 PolarHBondContact OD2-N 3.22Å; E457-L459 VanDerWaalsContact C-N 3.32Å; E457-L459 PolarHBondContact O-N 3.41Å; E457-Q460 PolarHBondContact O-N 3.46Å; E457-I461 HydrophobicContact CG-CD1 3.93Å; E457-I461 WeakPolarHBondContact O-CG1 3.46Å; E457-I461 PolarHBondContact O-N 2.83Å
458M97.7Very high85.2Confident0 Ų068.6 Ų68.60%034%0.341CS..Hα-helixtrans-56.6-47.7173.5-72.2178.3-174.600111.2P48 V49 P143 L434 V452 D454 E455 E456 I461 A462P48-M458 HydrophobicContact CB-CB 4.11Å; P48-M458 HydrophobicContact CB-SD 4.27Å; P48-M458 HydrophobicContact CG-CB 4.31Å; P48-M458 HydrophobicContact CG-SD 4.28Å; V49-M458 HydrophobicContact CG1-SD 3.89Å; P143-M458 HydrophobicContact CG-CE 3.62Å; P143-M458 HydrophobicContact CG-SD 4.25Å; L434-M458 HydrophobicContact CD2-CB 3.75Å; L434-M458 HydrophobicContact CD2-CG 3.85Å; V452-M458 HydrophobicContact CB-CG 4.06Å; V452-M458 HydrophobicContact CG1-CG 3.71Å; V452-M458 WeakPolarHBondContact O-CE 3.27Å; D454-M458 VanDerWaalsContact O-CG 3.3Å; D454-M458 WeakPolarHBondContact O-CG 3.46Å; D454-M458 PolarHBondContact O-N 2.88Å; E455-M458 HydrophobicContact CG-SD 4.49Å; E455-M458 WeakPolarHBondContact O-CB 3.43Å; E455-M458 PolarHBondContact O-N 2.68Å; E456-M458 VanDerWaalsContact C-N 3.34Å; E456-M458 PolarHBondContact O-N 3.38Å; M458-I461 PolarHBondContact O-N 3.11Å; M458-A462 VanDerWaalsContact O-CB 3.24Å; M458-A462 WeakPolarHBondContact O-CB 3.23Å; M458-A462 PolarHBondContact O-N 3.33Å
459L97.3Very high82.5Confident6 Ų668 Ų683%0.03135%0.35CS..Hα-helixtrans-65.5-41.1179.3-70.1174.8000111.7P48 N88 V426 E455 E456 E457 I461 A462 L463P48-L459 HydrophobicContact CB-CD2 4.12Å; P48-L459 HydrophobicContact CG-CD2 3.94Å; P48-L459 HydrophobicContact CG-CG 4.12Å; N88-L459 HydrophobicContact CB-CD2 4.08Å; V426-L459 HydrophobicContact CG2-CD2 3.72Å; E455-L459 VanDerWaalsContact O-CG 3.31Å; E455-L459 WeakPolarHBondContact O-CG 3.44Å; E455-L459 PolarHBondContact O-N 3.07Å; E456-L459 PolarHBondContact O-N 2.98Å; E457-L459 VanDerWaalsContact C-N 3.32Å; E457-L459 PolarHBondContact O-N 3.41Å; L459-I461 PolarHBondContact O-N 2.84Å; L459-A462 PolarHBondContact O-N 3.07Å; L459-L463 HydrophobicContact CB-CD1 4.39Å; L459-L463 HydrophobicContact CD2-CD1 4.29Å; L459-L463 WeakPolarHBondContact O-CB 3.15Å; L459-L463 VanDerWaalsContact O-CG 3.23Å; L459-L463 WeakPolarHBondContact O-CG 3.13Å; L459-L463 PolarHBondContact O-N 3.19Å
460Q97Very high79.5Confident116 Ų11674.9 Ų74.954%0.54238%0.381SS..Hα-helixtrans-58.4-48.8176.7-176.7179.8-8.200111.1E456 E457 E464E456-Q460 WeakPolarHBondContact O-CB 3.32Å; E456-Q460 PolarHBondContact O-N 2.69Å; E457-Q460 PolarHBondContact O-N 3.46Å; Q460-E464 VanDerWaalsContact O-CB 3.29Å; Q460-E464 WeakPolarHBondContact O-CB 3Å; Q460-E464 WeakPolarHBondContact O-CG 3.43Å; Q460-E464 PolarHBondContact O-N 2.88Å
461I96.9Very high76.6Confident22 Ų2278.6 Ų78.611%0.11341%0.408CS..Hα-helixtrans-66.6-44.6-179.8-65.9163.3000111.1L434 T437 V452 E457 M458 L459L434-I461 HydrophobicContact CB-CG2 4.21Å; L434-I461 HydrophobicContact CD1-CB 4.15Å; L434-I461 HydrophobicContact CD1-CD1 4.07Å; L434-I461 HydrophobicContact CD1-CG2 3.96Å; T437-I461 HydrophobicContact CG2-CD1 4.12Å; T437-I461 HydrophobicContact CG2-CG2 4.22Å; V452-I461 HydrophobicContact CG2-CD1 3.74Å; E457-I461 HydrophobicContact CG-CD1 3.93Å; E457-I461 WeakPolarHBondContact O-CG1 3.46Å; E457-I461 PolarHBondContact O-N 2.83Å; M458-I461 PolarHBondContact O-N 3.11Å; L459-I461 PolarHBondContact O-N 2.84Å
462A97Very high73.7Confident0 Ų085.3 Ų85.30%045%0.449CS..Hα-helixtrans-69.7-39.8-176.400000112.4V426 Q430 L434 M458 L459V426-A462 HydrophobicContact CG1-CB 3.98Å; V426-A462 HydrophobicContact CG2-CB 3.91Å; Q430-A462 HydrophobicContact CB-CB 4.31Å; Q430-A462 VanDerWaalsContact CB-O 3.31Å; Q430-A462 WeakPolarHBondContact CB-O 3.16Å; Q430-A462 WeakPolarHBondContact CG-O 3.46Å; L434-A462 HydrophobicContact CB-CB 4.4Å; M458-A462 VanDerWaalsContact O-CB 3.24Å; M458-A462 WeakPolarHBondContact O-CB 3.23Å; M458-A462 PolarHBondContact O-N 3.33Å; L459-A462 PolarHBondContact O-N 3.07Å
463L94.3Very high71.6Confident53 Ų5394.6 Ų94.628%0.27751%0.505SS..Hα-helixtrans-92.9-5.5-174.9-56.2-179.1000113.6R424 W425 V426 L459 K465R424-L463 HydrophobicContact CB-CD1 4.36Å; W425-L463 WeakPolarHBondContact O-CD2 3.47Å; V426-L463 HydrophobicContact CG2-CD2 4.26Å; L459-L463 HydrophobicContact CB-CD1 4.39Å; L459-L463 HydrophobicContact CD2-CD1 4.29Å; L459-L463 WeakPolarHBondContact O-CB 3.15Å; L459-L463 VanDerWaalsContact O-CG 3.23Å; L459-L463 WeakPolarHBondContact O-CG 3.13Å; L459-L463 PolarHBondContact O-N 3.19Å; L463-K465 PolarHBondContact O-N 3.26Å; L463-K465 VanDerWaalsContact O-N 3.1Å
464E84.5Confident70.4Confident114 Ų11497.3 Ų97.353%0.53352%0.518SS..  trans-53.1120.3177.2-113175.2-162.300110.2Q460 A466Q460-E464 VanDerWaalsContact O-CB 3.29Å; Q460-E464 WeakPolarHBondContact O-CB 3Å; Q460-E464 WeakPolarHBondContact O-CG 3.43Å; Q460-E464 PolarHBondContact O-N 2.88Å; E464-A466 PolarHBondContact O-N 2.92Å; E464-A466 VanDerWaalsContact O-N 3.08Å
465K55.1Low69Low188 Ų18899.2 Ų99.282%0.81753%0.529SS*.  trans-63.8113.6168.9-72.1-176.4179178.90105.8L463 H467L463-K465 PolarHBondContact O-N 3.26Å; L463-K465 VanDerWaalsContact O-N 3.1Å; K465-H467 PolarHBondContact O-N 3.42Å
466A45.7Very low67.6Low75 Ų7599.9 Ų99.962%0.6254%0.536SS*.  trans-41.6123.2170.400000107.2E464 I468E464-A466 PolarHBondContact O-N 2.92Å; E464-A466 VanDerWaalsContact O-N 3.08Å; A466-I468 PolarHBondContact O-N 2.83Å
467H33.6Very low65.9Low189 Ų189100.2 Ų100.288%0.87554%0.541SS*.  trans-43.2106.9175.5-108.720.2000107.3K465 A469K465-H467 PolarHBondContact O-N 3.42Å; H467-A469 VanDerWaalsContact C-N 3.33Å; H467-A469 PolarHBondContact O-N 2.92Å
468I32.7Very low63.9Low150 Ų150102.7 Ų102.777%0.76956%0.557SS**  trans-57.2110.3167.8-63.8172.5000102.4A466 K470A466-I468 PolarHBondContact O-N 2.83Å; I468-K470 PolarHBondContact O-N 2.83Å
469A34.5Very low61.7Low86 Ų86109.5 Ų109.571%0.71159%0.594SS**  trans-46.6115.6176.200000106.2H467 P471H467-A469 VanDerWaalsContact C-N 3.33Å; H467-A469 PolarHBondContact O-N 2.92Å; A469-P471 VanDerWaalsContact O-N 3.17Å
470K31.7Very low59.1Low190 Ų190116.9 Ų116.983%0.82663%0.634SS**  trans-52.4128.7175.6-79.8-176.6175.2179.30106.2I468 V472I468-K470 PolarHBondContact O-N 2.83Å; K470-V472 PolarHBondContact O-N 2.91Å; K470-V472 VanDerWaalsContact O-N 3.12Å
471P35.9Very low56.2Low110 Ų110117 Ų11771%0.71464%0.642SS**  trans-58.9124.8176.421.6-27.6000107.3A469 V473A469-P471 VanDerWaalsContact O-N 3.17Å; P471-V473 PolarHBondContact O-N 3.1Å; P471-V473 VanDerWaalsContact O-N 3.13Å
472V35.6Very low52.8Low147 Ų147124.9 Ų124.989%0.89169%0.686SS**  trans-60.3113.3163.1-179.10000105K470K470-V472 PolarHBondContact O-N 2.91Å; K470-V472 VanDerWaalsContact O-N 3.12Å
473V53.5Low48.8Very low197 Ų197136.3 Ų136.3100%1.19475%0.748SS**  trans-92.70165.9179.60000107.5P471P471-V473 PolarHBondContact O-N 3.1Å; P471-V473 VanDerWaalsContact O-N 3.13Å

Retrieved 473 of 473 residues in 377.5 ms (Link to these results)

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