G4LVA3_SCHMA Loading...

Adenylate kinase, putative

AlphaFold DB , UniProt , Accession G4LVA3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 395 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M79.6Confident83.1Confident119 Ų11972.9 Ų72.959%0.58637%0.37SS*.  0-56.90-63.8-176.3-179.400113Q3 V4 K5 I159 Y163M1-Q3 PolarHBondContact O-N 3.42Å; M1-V4 PolarHBondContact O-N 2.77Å; M1-K5 PolarHBondContact O-N 3.36Å; M1-I159 HydrophobicContact CE-CG2 4.15Å; M1-Y163 HydrophobicContact CB-CD2 3.54Å; M1-Y163 HydrophobicContact CB-CE2 3.57Å; M1-Y163 HydrophobicContact CB-CG 4.19Å; M1-Y163 HydrophobicContact SD-CD1 4.36Å; M1-Y163 HydrophobicContact SD-CD2 4.24Å; M1-Y163 HydrophobicContact SD-CG 3.95Å
2L81.3Confident83.5Confident39 Ų3974.4 Ų74.420%0.20438%0.375CS..Hα-helixtrans-58.9-41.3-178-72.6168000114V4 K5 L6 I50 Y163 V166 L167L2-V4 VanDerWaalsContact C-N 3.32Å; L2-V4 PolarHBondContact O-N 3.03Å; L2-K5 PolarHBondContact O-N 3.21Å; L2-K5 VanDerWaalsContact O-N 3.11Å; L2-L6 HydrophobicContact CB-CD1 4.39Å; L2-L6 HydrophobicContact CD2-CD1 4.31Å; L2-L6 WeakPolarHBondContact O-CB 3.43Å; L2-L6 PolarHBondContact O-N 3.01Å; L2-I50 HydrophobicContact CB-CD1 3.93Å; L2-Y163 HydrophobicContact CD2-CD2 4.01Å; L2-Y163 HydrophobicContact CD2-CE2 3.77Å; L2-Y163 HydrophobicContact CG-CD2 4.1Å; L2-Y163 HydrophobicContact CG-CE2 4.06Å; L2-V166 HydrophobicContact CD1-CG1 3.8Å; L2-V166 HydrophobicContact CD2-CG1 4.34Å; L2-L167 HydrophobicContact CD2-CB 4.28Å; L2-L167 HydrophobicContact CD2-CD1 4.11Å
3Q82.6Confident83.5Confident89 Ų8968.8 Ų68.842%0.41635%0.347SS..Hα-helixtrans-50.3-50.4176.3-164.8-174.7-0.400112.9M1 K5 Q7 C8 I10M1-Q3 PolarHBondContact O-N 3.42Å; Q3-K5 VanDerWaalsContact C-N 3.28Å; Q3-K5 PolarHBondContact O-N 3.39Å; Q3-Q7 VanDerWaalsContact O-CA 3.24Å; Q3-Q7 WeakPolarHBondContact O-CA 3.38Å; Q3-Q7 PolarHBondContact O-N 3.14Å; Q3-C8 WeakPolarHBondContact CG-O 3.35Å; Q3-I10 HydrophobicContact CB-CD1 3.55Å; Q3-I10 HydrophobicContact CB-CG1 3.88Å; Q3-I10 HydrophobicContact CG-CD1 4.02Å; Q3-I10 HydrophobicContact CG-CG1 3.87Å
4V80.8Confident83.6Confident122 Ų12270.4 Ų70.474%0.73936%0.357SS*.Hα-helixtrans-64.5-38-177.2179.20000110.6M1 L2M1-V4 PolarHBondContact O-N 2.77Å; L2-V4 VanDerWaalsContact C-N 3.32Å; L2-V4 PolarHBondContact O-N 3.03Å
5K82.6Confident83.7Confident138 Ų13870.6 Ų70.660%0.636%0.359SS*.Hα-helixtrans-80.2-36.9-176.1-167.662.9177.7178.90113.4M1 L2 Q3 Y163 L167M1-K5 PolarHBondContact O-N 3.36Å; L2-K5 PolarHBondContact O-N 3.21Å; L2-K5 VanDerWaalsContact O-N 3.11Å; Q3-K5 VanDerWaalsContact C-N 3.28Å; Q3-K5 PolarHBondContact O-N 3.39Å; K5-Y163 VanDerWaalsContact CB-OH 3.29Å; K5-Y163 WeakPolarHBondContact CB-OH 3.18Å; K5-Y163 WeakPolarHBondContact CG-OH 3.23Å; K5-L167 HydrophobicContact CB-CD1 4.49Å; K5-L167 HydrophobicContact CG-CD1 3.94Å; K5-L167 HydrophobicContact CG-CD2 4.11Å
6L79.9Confident83.7Confident43 Ų4366.2 Ų66.223%0.22534%0.337CS..Hα-helixtrans-92.3-11.2-178.8-62.7174.6000112.9L2 C8 I50 L167 V170L2-L6 HydrophobicContact CB-CD1 4.39Å; L2-L6 HydrophobicContact CD2-CD1 4.31Å; L2-L6 WeakPolarHBondContact O-CB 3.43Å; L2-L6 PolarHBondContact O-N 3.01Å; L6-C8 VanDerWaalsContact CB-SG 3.57Å; L6-C8 PolarHBondContact O-N 3.16Å; L6-I50 HydrophobicContact CD1-CD1 4.34Å; L6-L167 HydrophobicContact CD2-CD1 4.27Å; L6-V170 HydrophobicContact CD1-CG1 4.09Å
7Q82.8Confident83.9Confident145 Ų14563.2 Ų63.268%0.67832%0.321SS*.  trans58.321.8-175.1-59.1-176.9-21.500114.3Q3 R47Q3-Q7 VanDerWaalsContact O-CA 3.24Å; Q3-Q7 WeakPolarHBondContact O-CA 3.38Å; Q3-Q7 PolarHBondContact O-N 3.14Å; Q7-R47 WeakPolarHBondContact O-CB 3.41Å; Q7-R47 WeakPolarHBondContact O-CD 3.42Å
8C83Confident84Confident22 Ų2264.5 Ų64.515%0.14934%0.336CS..PPolyproline II helixtrans-83162.7179.2-56.40000112.3Q3 L6 R47 G48 I50Q3-C8 WeakPolarHBondContact CG-O 3.35Å; L6-C8 VanDerWaalsContact CB-SG 3.57Å; L6-C8 PolarHBondContact O-N 3.16Å; C8-R47 PolarHBondContact SG-O 3.49Å; C8-G48 WeakPolarHBondContact CA-O 3.28Å; C8-G48 WeakPolarHBondContact CB-O 3.24Å; C8-I50 HydrophobicContact CB-CD1 4.4Å; C8-I50 HydrophobicContact CB-CG1 4.2Å
9T85.4Confident83.9Confident40 Ų4064.8 Ų64.825%0.24534%0.338CS..EExtended strand (participates in β ladder)trans-79.8135.2169.5-48.60000109.9G48 Y49 I50T9-G48 PolarHBondContact N-O 3.35Å; T9-Y49 CarbonylContact O-C 3.52Å; T9-Y49 VanDerWaalsContact O-CA 3.26Å; T9-Y49 WeakPolarHBondContact O-CA 3.34Å; T9-I50 PolarHBondContact O-N 2.67Å
10I87.4Confident83.8Confident43 Ų4362 Ų6222%0.22132%0.324CS..EExtended strand (participates in β ladder)trans-96.5136.9170.2-78.8-176.7000108.9Q3 H12 I50 V52Q3-I10 HydrophobicContact CB-CD1 3.55Å; Q3-I10 HydrophobicContact CB-CG1 3.88Å; Q3-I10 HydrophobicContact CG-CD1 4.02Å; Q3-I10 HydrophobicContact CG-CG1 3.87Å; I10-H12 WeakPolarHBondContact CG2-NE2 3.22Å; I10-I50 WeakPolarHBondContact CA-O 3.27Å; I10-I50 HydrophobicContact CG1-CB 4.11Å; I10-I50 HydrophobicContact CG1-CD1 4.48Å; I10-V52 HydrophobicContact CG2-CG2 4.24Å
11I88.3Confident83.5Confident2 Ų268.7 Ų68.71%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-125.1115.7171.1-56.3173.6000107.1V16 L35 L39 I50 I51 V52I11-V16 HydrophobicContact CG2-CG2 3.58Å; I11-L35 HydrophobicContact CD1-CD1 4.23Å; I11-L35 HydrophobicContact CG2-CD1 4.23Å; I11-L39 HydrophobicContact CD1-CD2 3.61Å; I11-I50 PolarHBondContact N-O 3.08Å; I11-I51 HydrophobicContact CB-CG1 4.47Å; I11-I51 WeakPolarHBondContact O-CA 3.44Å; I11-V52 PolarHBondContact O-N 3.07Å
12H88.3Confident83.4Confident91 Ų9166.9 Ų66.942%0.42134%0.344SS..EExtended strand (participates in β ladder)trans-83147.9175.3-67.4-86.1000110.6I10 D14 D15 V16 V52I10-H12 WeakPolarHBondContact CG2-NE2 3.22Å; H12-D14 PolarHBondContact O-N 3.24Å; H12-D15 WeakPolarHBondContact CB-OD2 3.47Å; H12-D15 IonicContact CD2-OD2 3.62Å; H12-D15 PolarHBondContact N-OD2 3.48Å; H12-D15 WeakPolarHBondContact O-CA 3.4Å; H12-D15 VanDerWaalsContact O-CB 3.3Å; H12-D15 WeakPolarHBondContact O-CB 3.3Å; H12-D15 PolarHBondContact O-N 3.45Å; H12-V16 WeakPolarHBondContact O-CG2 3.2Å; H12-V16 PolarHBondContact O-N 3.26Å; H12-V16 VanDerWaalsContact O-N 3.13Å; H12-V52 CarbonylContact C-O 2.92Å
13G83.9Confident83.3Confident1 Ų166 Ų661%0.0134%0.344CS..Hα-helixtrans-56.3-38.1-179.900000112.7D15 V16 Y17 V52G13-D15 VanDerWaalsContact C-N 3.3Å; G13-D15 PolarHBondContact O-N 3.23Å; G13-V16 WeakPolarHBondContact O-CB 3.48Å; G13-V16 PolarHBondContact O-N 3.24Å; G13-V16 VanDerWaalsContact O-N 3.09Å; G13-Y17 WeakPolarHBondContact O-CD2 3.39Å; G13-Y17 WeakPolarHBondContact O-CE2 3.49Å; G13-Y17 PolarHBondContact O-N 3.24Å; G13-Y17 VanDerWaalsContact O-N 3.09Å; G13-V52 WeakPolarHBondContact CA-O 3.44Å; G13-V52 PolarHBondContact N-O 3.16Å
14D84Confident82.9Confident91 Ų9168.3 Ų68.349%0.48735%0.353SS..Hα-helixtrans-63.8-35.2176.8-63.1-32.5000112.3H12 V16 Y17 S18 R56H12-D14 PolarHBondContact O-N 3.24Å; D14-V16 VanDerWaalsContact C-N 3.35Å; D14-Y17 PolarHBondContact O-N 2.91Å; D14-S18 PolarHBondContact O-N 3.26Å; D14-R56 IonicContact OD1-CZ 3.41Å; D14-R56 IonicContact OD1-NH1 2.78Å; D14-R56 IonicContact OD1-NH2 2.88Å; D14-R56 PolarHBondContact OD1-NH2 3.24Å
15D85.2Confident82.8Confident74 Ų7469.6 Ų69.640%0.39636%0.355SS..Hα-helixtrans-64.3-40.9172-55.4-33.6000110.8H12 G13 Y17 S18 L19H12-D15 WeakPolarHBondContact CB-OD2 3.47Å; H12-D15 IonicContact CD2-OD2 3.62Å; H12-D15 PolarHBondContact N-OD2 3.48Å; H12-D15 WeakPolarHBondContact O-CA 3.4Å; H12-D15 VanDerWaalsContact O-CB 3.3Å; H12-D15 WeakPolarHBondContact O-CB 3.3Å; H12-D15 PolarHBondContact O-N 3.45Å; G13-D15 VanDerWaalsContact C-N 3.3Å; G13-D15 PolarHBondContact O-N 3.23Å; D15-Y17 VanDerWaalsContact C-N 3.32Å; D15-Y17 PolarHBondContact O-N 2.85Å; D15-S18 WeakPolarHBondContact O-CB 3.48Å; D15-S18 PolarHBondContact O-N 3.37Å; D15-S18 VanDerWaalsContact O-N 3.08Å; D15-S18 PolarHBondContact O-OG 2.66Å; D15-L19 PolarHBondContact O-N 2.78Å
16V84.2Confident82.6Confident0 Ų063.5 Ų63.50%033%0.331CS..Hα-helixtrans-59.7-43.5177.4-173.60000111I11 H12 G13 D14 S18 L19 L31 L35 F54I11-V16 HydrophobicContact CG2-CG2 3.58Å; H12-V16 WeakPolarHBondContact O-CG2 3.2Å; H12-V16 PolarHBondContact O-N 3.26Å; H12-V16 VanDerWaalsContact O-N 3.13Å; G13-V16 WeakPolarHBondContact O-CB 3.48Å; G13-V16 PolarHBondContact O-N 3.24Å; G13-V16 VanDerWaalsContact O-N 3.09Å; D14-V16 VanDerWaalsContact C-N 3.35Å; V16-S18 VanDerWaalsContact C-N 3.3Å; V16-S18 PolarHBondContact O-N 2.89Å; V16-L19 HydrophobicContact CG1-CD1 4.39Å; V16-L19 WeakPolarHBondContact O-CB 3.34Å; V16-L19 PolarHBondContact O-N 2.94Å; V16-L31 HydrophobicContact CG1-CD2 3.67Å; V16-L31 HydrophobicContact CG1-CG 4.08Å; V16-L35 HydrophobicContact CG1-CB 4.2Å; V16-L35 HydrophobicContact CG1-CD1 4.24Å; V16-L35 HydrophobicContact CG1-CD2 4.07Å; V16-L35 HydrophobicContact CG1-CG 4.4Å; V16-L35 HydrophobicContact CG2-CD1 3.99Å; V16-F54 HydrophobicContact CG1-CD1 4.45Å; V16-F54 HydrophobicContact CG1-CD2 4.41Å; V16-F54 HydrophobicContact CG1-CE1 4.29Å; V16-F54 HydrophobicContact CG1-CE2 4.28Å; V16-F54 HydrophobicContact CG1-CZ 4.23Å; V16-F54 HydrophobicContact CG2-CG 4.44Å
17Y86.7Confident83Confident16 Ų1665 Ų656%0.06334%0.343CS..Hα-helixtrans-66.2-34.7176.5-62.7-67.1000111.9G13 D14 D15 L19 C20 G23 K24 L31 F54 E60G13-Y17 WeakPolarHBondContact O-CD2 3.39Å; G13-Y17 WeakPolarHBondContact O-CE2 3.49Å; G13-Y17 PolarHBondContact O-N 3.24Å; G13-Y17 VanDerWaalsContact O-N 3.09Å; D14-Y17 PolarHBondContact O-N 2.91Å; D15-Y17 VanDerWaalsContact C-N 3.32Å; D15-Y17 PolarHBondContact O-N 2.85Å; Y17-L19 PolarHBondContact O-N 3.48Å; Y17-C20 PolarHBondContact O-N 2.83Å; Y17-G23 WeakPolarHBondContact O-CA 3.46Å; Y17-K24 HydrophobicContact CD1-CB 4.44Å; Y17-K24 HydrophobicContact CD1-CG 4.04Å; Y17-K24 HydrophobicContact CD2-CG 4.2Å; Y17-K24 HydrophobicContact CG-CG 3.88Å; Y17-L31 HydrophobicContact CD1-CD1 3.43Å; Y17-L31 VanDerWaalsContact CD1-CD1 3.43Å; Y17-L31 HydrophobicContact CE1-CD1 3.99Å; Y17-L31 HydrophobicContact CG-CD1 4.3Å; Y17-F54 HydrophobicContact CE1-CE2 4.26Å; Y17-F54 HydrophobicContact CE2-CD2 4.39Å; Y17-F54 AromaticContact CZ-CD2 3.93Å; Y17-E60 PolarHBondContact OH-OE1 3.45Å; Y17-E60 PolarHBondContact OH-OE2 3.41Å
18S85.7Confident83.2Confident86 Ų8660 Ų6060%0.60132%0.323SS*.Hα-helixtrans-66.6-19.8177.8830000114.3D14 D15 V16 C20D14-S18 PolarHBondContact O-N 3.26Å; D15-S18 WeakPolarHBondContact O-CB 3.48Å; D15-S18 PolarHBondContact O-N 3.37Å; D15-S18 VanDerWaalsContact O-N 3.08Å; D15-S18 PolarHBondContact O-OG 2.66Å; V16-S18 VanDerWaalsContact C-N 3.3Å; V16-S18 PolarHBondContact O-N 2.89Å; S18-C20 PolarHBondContact O-N 3.22Å; S18-C20 VanDerWaalsContact O-N 3.16Å
19L82.8Confident83.4Confident70 Ų7066.8 Ų66.837%0.36635%0.352SS..THydrogen-bonded Turntrans-61.6-24.6177.8-64.7172.8000112.7D15 V16 Y17 A34 L35D15-L19 PolarHBondContact O-N 2.78Å; V16-L19 HydrophobicContact CG1-CD1 4.39Å; V16-L19 WeakPolarHBondContact O-CB 3.34Å; V16-L19 PolarHBondContact O-N 2.94Å; Y17-L19 PolarHBondContact O-N 3.48Å; L19-A34 HydrophobicContact CB-CB 3.96Å; L19-A34 HydrophobicContact CD1-CB 4.26Å; L19-L35 HydrophobicContact CD1-CB 4.39Å
20C80.5Confident83.5Confident9 Ų969.9 Ų69.96%0.06136%0.362CS..SBendtrans-107136.3175.7-700000110.2Y17 S18 E22 G23 A26Y17-C20 PolarHBondContact O-N 2.83Å; S18-C20 PolarHBondContact O-N 3.22Å; S18-C20 VanDerWaalsContact O-N 3.16Å; C20-E22 PolarHBondContact O-N 3.42Å; C20-G23 PolarHBondContact O-N 3.46Å; C20-A26 HydrophobicContact CB-CB 3.65Å
21Q77.4Confident83.6Confident202 Ų20268.1 Ų68.194%0.94435%0.353SS*.THydrogen-bonded Turntrans-55.7-26.4174.4-69.7-179-10.800113.3G23Q21-G23 VanDerWaalsContact C-N 3.29Å
22E78Confident83.6Confident81 Ų8168 Ų6838%0.37935%0.353SS..THydrogen-bonded Turntrans-81.9-5179.9-65.4148.9-145.800112.9C20 K24 N25 A26 P27 K30C20-E22 PolarHBondContact O-N 3.42Å; E22-K24 PolarHBondContact O-N 3.41Å; E22-N25 WeakPolarHBondContact O-CB 3.5Å; E22-N25 PolarHBondContact O-N 3.38Å; E22-N25 VanDerWaalsContact O-N 3.07Å; E22-A26 HydrophobicContact CB-CB 3.9Å; E22-A26 WeakPolarHBondContact OE2-CA 3.25Å; E22-P27 WeakPolarHBondContact OE2-CD 3.42Å; E22-K30 IonicContact OE1-NZ 3.8Å; E22-K30 PolarHBondContact OE1-NZ 3.45Å; E22-K30 IonicContact OE2-NZ 3.65Å
23G79Confident83.6Confident21 Ų2166.2 Ų66.222%0.21635%0.354CS..G310 helixtrans58.3-133.5178.100000112.9Y17 C20 Q21 N25 A26Y17-G23 WeakPolarHBondContact O-CA 3.46Å; C20-G23 PolarHBondContact O-N 3.46Å; Q21-G23 VanDerWaalsContact C-N 3.29Å; G23-N25 PolarHBondContact O-N 3.14Å; G23-A26 VanDerWaalsContact O-CB 3.31Å; G23-A26 WeakPolarHBondContact O-CB 3.48Å; G23-A26 PolarHBondContact O-N 3.14Å; G23-A26 VanDerWaalsContact O-N 3.17Å
24K74.7Confident83.7Confident137 Ų13767.6 Ų67.660%0.59637%0.365SS*.G310 helixtrans-62.8-17.8175.7-66.9179.9180173.20114Y17 E22Y17-K24 HydrophobicContact CD1-CB 4.44Å; Y17-K24 HydrophobicContact CD1-CG 4.04Å; Y17-K24 HydrophobicContact CD2-CG 4.2Å; Y17-K24 HydrophobicContact CG-CG 3.88Å; E22-K24 PolarHBondContact O-N 3.41Å
25N78.6Confident84Confident149 Ų14963.2 Ų63.280%0.79734%0.341SS*.G310 helixtrans-91.20.4179.7-64.6-32.2000112.9E22 G23E22-N25 WeakPolarHBondContact O-CB 3.5Å; E22-N25 PolarHBondContact O-N 3.38Å; E22-N25 VanDerWaalsContact O-N 3.07Å; G23-N25 PolarHBondContact O-N 3.14Å
26A79.6Confident84.1Confident11 Ų1162.7 Ų62.79%0.09134%0.336CS..SBendtrans-61.6143.9178.800000111.6C20 E22 G23 V28 L31C20-A26 HydrophobicContact CB-CB 3.65Å; E22-A26 HydrophobicContact CB-CB 3.9Å; E22-A26 WeakPolarHBondContact OE2-CA 3.25Å; G23-A26 VanDerWaalsContact O-CB 3.31Å; G23-A26 WeakPolarHBondContact O-CB 3.48Å; G23-A26 PolarHBondContact O-N 3.14Å; G23-A26 VanDerWaalsContact O-N 3.17Å; A26-V28 PolarHBondContact O-N 2.86Å; A26-L31 HydrophobicContact CB-CB 4.46Å; A26-L31 HydrophobicContact CB-CD1 4.41Å
27P87.1Confident84.2Confident73 Ų7370.4 Ų70.447%0.47437%0.369SS..  trans-55.7128.5168.2-16.323.6000109.6E22 Q29 K30 L31E22-P27 WeakPolarHBondContact OE2-CD 3.42Å; P27-Q29 PolarHBondContact O-N 3.17Å; P27-K30 HydrophobicContact CB-CB 4.39Å; P27-K30 WeakPolarHBondContact O-CB 3.49Å; P27-K30 PolarHBondContact O-N 3.35Å; P27-L31 PolarHBondContact O-N 3.13Å; P27-L31 VanDerWaalsContact O-N 3.15Å
28V87.9Confident84.1Confident42 Ų4272 Ų7226%0.25538%0.377SS..Hα-helixtrans-49.9-38.7-176.2176.80000112.7A26 L31 I32 E60 A63A26-V28 PolarHBondContact O-N 2.86Å; V28-L31 PolarHBondContact O-N 3.46Å; V28-I32 HydrophobicContact CG1-CD1 3.62Å; V28-I32 WeakPolarHBondContact O-CG1 3.26Å; V28-I32 PolarHBondContact O-N 2.86Å; V28-E60 HydrophobicContact CG1-CB 4.41Å; V28-E60 HydrophobicContact CG1-CG 4.01Å; V28-E60 HydrophobicContact CG2-CG 4.37Å; V28-A63 HydrophobicContact CG1-CB 3.72Å
29Q86.9Confident84.1Confident163 Ų16368.5 Ų68.576%0.76235%0.351SS*.Hα-helixtrans-63.5-41.6177.8-70.3177.9-18.900113P27 A33P27-Q29 PolarHBondContact O-N 3.17Å; Q29-A33 WeakPolarHBondContact O-CB 3.33Å; Q29-A33 PolarHBondContact O-N 3.34Å
30K87.1Confident84.1Confident106 Ų10670.4 Ų70.446%0.46136%0.362SS..Hα-helixtrans-68.5-40.6-179.9-172.4178.5174.9-178.20110.7E22 P27 A33 A34E22-K30 IonicContact OE1-NZ 3.8Å; E22-K30 PolarHBondContact OE1-NZ 3.45Å; E22-K30 IonicContact OE2-NZ 3.65Å; P27-K30 HydrophobicContact CB-CB 4.39Å; P27-K30 WeakPolarHBondContact O-CB 3.49Å; P27-K30 PolarHBondContact O-N 3.35Å; K30-A33 PolarHBondContact O-N 3.38Å; K30-A34 PolarHBondContact O-N 3.38Å
31L88.7Confident84.1Confident5 Ų575.5 Ų75.53%0.02639%0.385CS..Hα-helixtrans-63.2-44.6177.1-175.9134.1000111.9V16 Y17 A26 P27 V28 A34 L35 F54V16-L31 HydrophobicContact CG1-CD2 3.67Å; V16-L31 HydrophobicContact CG1-CG 4.08Å; Y17-L31 HydrophobicContact CD1-CD1 3.43Å; Y17-L31 VanDerWaalsContact CD1-CD1 3.43Å; Y17-L31 HydrophobicContact CE1-CD1 3.99Å; Y17-L31 HydrophobicContact CG-CD1 4.3Å; A26-L31 HydrophobicContact CB-CB 4.46Å; A26-L31 HydrophobicContact CB-CD1 4.41Å; P27-L31 PolarHBondContact O-N 3.13Å; P27-L31 VanDerWaalsContact O-N 3.15Å; V28-L31 PolarHBondContact O-N 3.46Å; L31-A34 PolarHBondContact O-N 2.84Å; L31-L35 PolarHBondContact O-N 3.43Å; L31-F54 HydrophobicContact CD2-CE1 4.4Å; L31-F54 HydrophobicContact CD2-CE2 3.53Å; L31-F54 HydrophobicContact CD2-CZ 3.36Å
32I89.2Confident83.4Confident1 Ų170.1 Ų70.11%0.00537%0.37CS..Hα-helixtrans-73.2-34.3179.7-68.9163.4000111.9V28 A34 L35 K36 F54 E60 A63 L64 E67 I69V28-I32 HydrophobicContact CG1-CD1 3.62Å; V28-I32 WeakPolarHBondContact O-CG1 3.26Å; V28-I32 PolarHBondContact O-N 2.86Å; I32-A34 VanDerWaalsContact C-N 3.3Å; I32-A34 PolarHBondContact O-N 2.89Å; I32-L35 PolarHBondContact O-N 2.55Å; I32-K36 WeakPolarHBondContact O-CB 3.25Å; I32-K36 PolarHBondContact O-N 3.47Å; I32-F54 HydrophobicContact CG1-CZ 4.3Å; I32-E60 WeakPolarHBondContact CD1-O 3.34Å; I32-A63 HydrophobicContact CD1-CB 3.15Å; I32-L64 HydrophobicContact CD1-CG 4.2Å; I32-L64 HydrophobicContact CG1-CD2 4.34Å; I32-L64 HydrophobicContact CG1-CG 4.33Å; I32-L64 HydrophobicContact CG2-CD2 4.03Å; I32-L64 HydrophobicContact CG2-CG 4.5Å; I32-E67 HydrophobicContact CG2-CB 3.99Å; I32-E67 HydrophobicContact CG2-CG 3.8Å; I32-I69 HydrophobicContact CG2-CD1 4.34Å
33A87.4Confident83.1Confident53 Ų5370.5 Ų70.544%0.43837%0.374SS..Hα-helixtrans-62.7-38.8171.700000111.9Q29 K30 K36 K37Q29-A33 WeakPolarHBondContact O-CB 3.33Å; Q29-A33 PolarHBondContact O-N 3.34Å; K30-A33 PolarHBondContact O-N 3.38Å; A33-K36 PolarHBondContact O-N 3.49Å; A33-K37 PolarHBondContact O-N 3.39Å; A33-K37 VanDerWaalsContact O-N 3.17Å
34A87.3Confident83Confident29 Ų2969.8 Ų69.824%0.2437%0.366CS..Hα-helixtrans-65.9-44174.300000111.7L19 K30 L31 I32 K36 K37 Q38L19-A34 HydrophobicContact CB-CB 3.96Å; L19-A34 HydrophobicContact CD1-CB 4.26Å; K30-A34 PolarHBondContact O-N 3.38Å; L31-A34 PolarHBondContact O-N 2.84Å; I32-A34 VanDerWaalsContact C-N 3.3Å; I32-A34 PolarHBondContact O-N 2.89Å; A34-K36 PolarHBondContact O-N 3.48Å; A34-K37 WeakPolarHBondContact O-CB 3.32Å; A34-K37 PolarHBondContact O-N 2.92Å; A34-Q38 PolarHBondContact O-N 3.19Å
35L89.2Confident82.9Confident0 Ų071 Ų710%037%0.374CS..Hα-helixtrans-60.8-44.5175.2-179.461.1000111.7I11 V16 L19 L31 I32 K37 Q38 L39 I51 F54 L64I11-L35 HydrophobicContact CD1-CD1 4.23Å; I11-L35 HydrophobicContact CG2-CD1 4.23Å; V16-L35 HydrophobicContact CG1-CB 4.2Å; V16-L35 HydrophobicContact CG1-CD1 4.24Å; V16-L35 HydrophobicContact CG1-CD2 4.07Å; V16-L35 HydrophobicContact CG1-CG 4.4Å; V16-L35 HydrophobicContact CG2-CD1 3.99Å; L19-L35 HydrophobicContact CD1-CB 4.39Å; L31-L35 PolarHBondContact O-N 3.43Å; I32-L35 PolarHBondContact O-N 2.55Å; L35-K37 VanDerWaalsContact C-N 3.28Å; L35-K37 PolarHBondContact O-N 3.43Å; L35-Q38 WeakPolarHBondContact O-CB 3.47Å; L35-Q38 PolarHBondContact O-N 2.83Å; L35-L39 HydrophobicContact CD1-CG 4.33Å; L35-L39 HydrophobicContact CG-CD1 4.1Å; L35-L39 HydrophobicContact CG-CG 4.32Å; L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 3.08Å; L35-I51 HydrophobicContact CD2-CD1 4.33Å; L35-F54 HydrophobicContact CD2-CD1 4.09Å; L35-F54 HydrophobicContact CD2-CE1 3.77Å; L35-L64 HydrophobicContact CD2-CD2 3.91Å
36K87.9Confident82.5Confident63 Ų6368.2 Ų68.227%0.27437%0.366SS..Hα-helixtrans-56-44.5176.9-174.3167.6177.91660111.6I32 A33 A34 Q38 L39 D40 E67 I69I32-K36 WeakPolarHBondContact O-CB 3.25Å; I32-K36 PolarHBondContact O-N 3.47Å; A33-K36 PolarHBondContact O-N 3.49Å; A34-K36 PolarHBondContact O-N 3.48Å; K36-Q38 VanDerWaalsContact C-N 3.27Å; K36-Q38 PolarHBondContact O-N 3.23Å; K36-L39 PolarHBondContact O-N 3.47Å; K36-L39 VanDerWaalsContact O-N 3.09Å; K36-D40 VanDerWaalsContact O-CG 3.26Å; K36-D40 PolarHBondContact O-N 2.93Å; K36-E67 HydrophobicContact CD-CB 4.29Å; K36-E67 WeakPolarHBondContact CD-OE2 3.14Å; K36-E67 PolarHBondContact NZ-O 2.87Å; K36-E67 IonicContact NZ-OE2 2.99Å; K36-E67 PolarHBondContact NZ-OE2 3.48Å; K36-I69 HydrophobicContact CB-CD1 3.92Å; K36-I69 HydrophobicContact CG-CD1 4.25Å
37K86.2Confident82.4Confident161 Ų16174.9 Ų74.970%0.739%0.389SS*.Hα-helixtrans-60.8-36.3176.8-167.3-178.2178.4-172.70112.8A33 A34 L35A33-K37 PolarHBondContact O-N 3.39Å; A33-K37 VanDerWaalsContact O-N 3.17Å; A34-K37 WeakPolarHBondContact O-CB 3.32Å; A34-K37 PolarHBondContact O-N 2.92Å; L35-K37 VanDerWaalsContact C-N 3.28Å; L35-K37 PolarHBondContact O-N 3.43Å
38Q85.2Confident82.2Confident49 Ų4972.8 Ų72.823%0.22938%0.38CS..Hα-helixtrans-72.9-34.2174.8-170.6-179.18.500112.1A34 L35 K36 D40 E41A34-Q38 PolarHBondContact O-N 3.19Å; L35-Q38 WeakPolarHBondContact O-CB 3.47Å; L35-Q38 PolarHBondContact O-N 2.83Å; K36-Q38 VanDerWaalsContact C-N 3.27Å; K36-Q38 PolarHBondContact O-N 3.23Å; Q38-D40 VanDerWaalsContact C-N 3.32Å; Q38-E41 WeakPolarHBondContact O-CB 3.31Å; Q38-E41 PolarHBondContact O-N 3.39Å
39L85.3Confident82.3Confident13 Ų1374.7 Ų74.77%0.06838%0.383CS..Hα-helixtrans-71.2-28.3175.7-66.4176000112.6I11 L35 K36 E41 C44 Y49 I69I11-L39 HydrophobicContact CD1-CD2 3.61Å; L35-L39 HydrophobicContact CD1-CG 4.33Å; L35-L39 HydrophobicContact CG-CD1 4.1Å; L35-L39 HydrophobicContact CG-CG 4.32Å; L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 3.08Å; K36-L39 PolarHBondContact O-N 3.47Å; K36-L39 VanDerWaalsContact O-N 3.09Å; L39-E41 PolarHBondContact O-N 3.48Å; L39-C44 WeakPolarHBondContact O-CB 3.39Å; L39-Y49 HydrophobicContact CD1-CE2 4.43Å; L39-Y49 HydrophobicContact CD2-CD1 3.7Å; L39-Y49 HydrophobicContact CD2-CD2 3.81Å; L39-Y49 HydrophobicContact CD2-CE1 3.94Å; L39-Y49 HydrophobicContact CD2-CE2 4.04Å; L39-Y49 HydrophobicContact CD2-CG 3.62Å; L39-I69 HydrophobicContact CD1-CD1 3.85Å; L39-I69 HydrophobicContact CD1-CG1 4.21Å; L39-I69 HydrophobicContact CD1-CG2 3.91Å
40D82.8Confident82.4Confident110 Ų11068.8 Ų68.859%0.58836%0.356SS*.THydrogen-bonded Turntrans-77.3-1.7174.6-66.1-20.9000112.7K36 Q38K36-D40 VanDerWaalsContact O-CG 3.26Å; K36-D40 PolarHBondContact O-N 2.93Å; Q38-D40 VanDerWaalsContact C-N 3.32Å
41E81.1Confident82.6Confident117 Ų11765.8 Ų65.855%0.54735%0.345SS..SBendtrans-71.1146171.6-66.2-177.4174.300111.2Q38 L39 D43 C44 E45Q38-E41 WeakPolarHBondContact O-CB 3.31Å; Q38-E41 PolarHBondContact O-N 3.39Å; L39-E41 PolarHBondContact O-N 3.48Å; E41-D43 PolarHBondContact O-N 3.02Å; E41-C44 PolarHBondContact O-N 3.33Å; E41-E45 PolarHBondContact O-N 3.29Å
42S62.9Low82.8Confident88 Ų8868.2 Ų68.262%0.61536%0.36SS*.Hα-helixtrans-55.6-28.9-168.854.50000114.9S46S42-S46 WeakPolarHBondContact O-CB 3.37Å; S42-S46 PolarHBondContact O-N 2.76Å; S42-S46 PolarHBondContact O-OG 3.45Å
43D71.2Confident82.7Confident89 Ų8971.9 Ų71.948%0.47638%0.38SS..Hα-helixtrans-71.9-40-179.5-75.8-4.4000111.7E41 R47E41-D43 PolarHBondContact O-N 3.02Å; D43-R47 WeakPolarHBondContact O-CB 3.37Å; D43-R47 PolarHBondContact O-N 3.22Å; D43-R47 VanDerWaalsContact O-N 3.11Å
44C75.9Confident82.9Confident6 Ų670 Ų704%0.04136%0.362CS..Hα-helixtrans-73.5-39.7179.4-68.30000111.6L39 E41 G48 Y49L39-C44 WeakPolarHBondContact O-CB 3.39Å; E41-C44 PolarHBondContact O-N 3.33Å; C44-G48 WeakPolarHBondContact O-CA 3.19Å; C44-G48 PolarHBondContact O-N 2.91Å; C44-Y49 HydrophobicContact CB-CD1 4.39Å
45E73Confident83.1Confident163 Ų16369.7 Ų69.776%0.76236%0.357SS*.Hα-helixtrans-68.7-38.1-179.3-161.3179.9-167.200112E41E41-E45 PolarHBondContact O-N 3.29Å
46S71Confident83.1Confident91 Ų9173.3 Ų73.364%0.63637%0.371SS*.Hα-helixtrans-85-35-177.363.10000114.3S42S42-S46 WeakPolarHBondContact O-CB 3.37Å; S42-S46 PolarHBondContact O-N 2.76Å; S42-S46 PolarHBondContact O-OG 3.45Å
47R76.2Confident83.1Confident151 Ų15171.8 Ų71.857%0.5737%0.368SS*.Hα-helixtrans-107.5-9.1-174.1-58.9-177.3178.9174.82.3114.3Q7 C8 D43Q7-R47 WeakPolarHBondContact O-CB 3.41Å; Q7-R47 WeakPolarHBondContact O-CD 3.42Å; C8-R47 PolarHBondContact SG-O 3.49Å; D43-R47 WeakPolarHBondContact O-CB 3.37Å; D43-R47 PolarHBondContact O-N 3.22Å; D43-R47 VanDerWaalsContact O-N 3.11Å
48G83.7Confident83.4Confident28 Ų2867.2 Ų67.229%0.28935%0.349SS..  trans73.7174.1-170.900000112.7C8 T9 C44C8-G48 WeakPolarHBondContact CA-O 3.28Å; C8-G48 WeakPolarHBondContact CB-O 3.24Å; T9-G48 PolarHBondContact N-O 3.35Å; C44-G48 WeakPolarHBondContact O-CA 3.19Å; C44-G48 PolarHBondContact O-N 2.91Å
49Y89Confident83.7Confident82 Ų8272.7 Ų72.732%0.32237%0.372SS..EExtended strand (participates in β ladder)trans-139.4154.9-173.355.4-94.6000112.6T9 L39 C44 I51T9-Y49 CarbonylContact O-C 3.52Å; T9-Y49 VanDerWaalsContact O-CA 3.26Å; T9-Y49 WeakPolarHBondContact O-CA 3.34Å; L39-Y49 HydrophobicContact CD1-CE2 4.43Å; L39-Y49 HydrophobicContact CD2-CD1 3.7Å; L39-Y49 HydrophobicContact CD2-CD2 3.81Å; L39-Y49 HydrophobicContact CD2-CE1 3.94Å; L39-Y49 HydrophobicContact CD2-CE2 4.04Å; L39-Y49 HydrophobicContact CD2-CG 3.62Å; C44-Y49 HydrophobicContact CB-CD1 4.39Å; Y49-I51 HydrophobicContact CD2-CD1 4.05Å; Y49-I51 HydrophobicContact CD2-CG1 3.97Å; Y49-I51 HydrophobicContact CE2-CD1 3.96Å; Y49-I51 HydrophobicContact CE2-CG1 4.37Å
50I90.6Very high84Confident39 Ų3973.1 Ų73.120%0.237%0.373CS..EExtended strand (participates in β ladder)trans-123.1116.4171.4-58.9173.5000106.9L2 L6 C8 T9 I10 I11 V52L2-I50 HydrophobicContact CB-CD1 3.93Å; L6-I50 HydrophobicContact CD1-CD1 4.34Å; C8-I50 HydrophobicContact CB-CD1 4.4Å; C8-I50 HydrophobicContact CB-CG1 4.2Å; T9-I50 PolarHBondContact O-N 2.67Å; I10-I50 WeakPolarHBondContact CA-O 3.27Å; I10-I50 HydrophobicContact CG1-CB 4.11Å; I10-I50 HydrophobicContact CG1-CD1 4.48Å; I11-I50 PolarHBondContact N-O 3.08Å; I50-V52 HydrophobicContact CG2-CG2 4.05Å
51I91.5Very high84.4Confident44 Ų4467.9 Ų67.923%0.22635%0.345CS..EExtended strand (participates in β ladder)trans-94.6124172.4-60.2168.9000107.7I11 L35 Y49 F54I11-I51 HydrophobicContact CB-CG1 4.47Å; I11-I51 WeakPolarHBondContact O-CA 3.44Å; L35-I51 HydrophobicContact CD2-CD1 4.33Å; Y49-I51 HydrophobicContact CD2-CD1 4.05Å; Y49-I51 HydrophobicContact CD2-CG1 3.97Å; Y49-I51 HydrophobicContact CE2-CD1 3.96Å; Y49-I51 HydrophobicContact CE2-CG1 4.37Å; I51-F54 HydrophobicContact CG2-CB 3.7Å; I51-F54 HydrophobicContact CG2-CD1 4.22Å; I51-F54 HydrophobicContact CG2-CG 4.45Å; I51-F54 WeakPolarHBondContact CG2-O 3.4Å
52V91.4Very high85Confident55 Ų5567.2 Ų67.233%0.33334%0.341SS..EExtended strand (participates in β ladder)trans-106.7129.5-179.7-177.80000108.9I10 I11 H12 G13 I50 F54I10-V52 HydrophobicContact CG2-CG2 4.24Å; I11-V52 PolarHBondContact O-N 3.07Å; H12-V52 CarbonylContact C-O 2.92Å; G13-V52 WeakPolarHBondContact CA-O 3.44Å; G13-V52 PolarHBondContact N-O 3.16Å; I50-V52 HydrophobicContact CG2-CG2 4.05Å; V52-F54 VanDerWaalsContact C-N 3.25Å; V52-F54 PolarHBondContact O-N 3.47Å
53D88.3Confident86.4Confident79 Ų7963.8 Ų63.842%0.42232%0.317SS..SBendtrans59.431.4173.7-164.238.2000115.1R56D53-R56 VanDerWaalsContact O-CG 3.28Å; D53-R56 WeakPolarHBondContact O-CG 3.35Å; D53-R56 PolarHBondContact O-NE 3.28Å; D53-R56 IonicContact OD1-NE 3.86Å; D53-R56 IonicContact OD2-CZ 3.37Å; D53-R56 IonicContact OD2-NE 2.76Å; D53-R56 PolarHBondContact OD2-NE 3.08Å; D53-R56 IonicContact OD2-NH2 3.69Å; D53-R56 PolarHBondContact OD2-NH2 3.25Å
54F90.4Very high87.4Confident14 Ų1459.8 Ų59.86%0.06130%0.296CS..  trans-149.2141.4169.3-175.1-92.8000109.4V16 Y17 L31 I32 L35 I51 V52 E60 L64V16-F54 HydrophobicContact CG1-CD1 4.45Å; V16-F54 HydrophobicContact CG1-CD2 4.41Å; V16-F54 HydrophobicContact CG1-CE1 4.29Å; V16-F54 HydrophobicContact CG1-CE2 4.28Å; V16-F54 HydrophobicContact CG1-CZ 4.23Å; V16-F54 HydrophobicContact CG2-CG 4.44Å; Y17-F54 HydrophobicContact CE1-CE2 4.26Å; Y17-F54 HydrophobicContact CE2-CD2 4.39Å; Y17-F54 AromaticContact CZ-CD2 3.93Å; L31-F54 HydrophobicContact CD2-CE1 4.4Å; L31-F54 HydrophobicContact CD2-CE2 3.53Å; L31-F54 HydrophobicContact CD2-CZ 3.36Å; I32-F54 HydrophobicContact CG1-CZ 4.3Å; L35-F54 HydrophobicContact CD2-CD1 4.09Å; L35-F54 HydrophobicContact CD2-CE1 3.77Å; I51-F54 HydrophobicContact CG2-CB 3.7Å; I51-F54 HydrophobicContact CG2-CD1 4.22Å; I51-F54 HydrophobicContact CG2-CG 4.45Å; I51-F54 WeakPolarHBondContact CG2-O 3.4Å; V52-F54 VanDerWaalsContact C-N 3.25Å; V52-F54 PolarHBondContact O-N 3.47Å; F54-E60 HydrophobicContact CE2-CB 4.2Å; F54-E60 HydrophobicContact CE2-CG 3.96Å; F54-E60 HydrophobicContact CZ-CB 4.03Å; F54-E60 HydrophobicContact CZ-CG 4.13Å; F54-L64 HydrophobicContact CD1-CD1 4.18Å; F54-L64 HydrophobicContact CE1-CD1 3.76Å; F54-L64 HydrophobicContact CE1-CD2 4.2Å; F54-L64 HydrophobicContact CE1-CG 4.15Å
55P91.8Very high88.1Confident21 Ų2162.6 Ų62.614%0.13631%0.31CS..  cis-70.1149-4.330.6-36.3000112.9E60 A61 L64 L142 Y146P55-E60 HydrophobicContact CB-CB 3.56Å; P55-A61 HydrophobicContact CB-CB 4.06Å; P55-A61 HydrophobicContact CG-CB 3.66Å; P55-L64 HydrophobicContact CB-CD1 4.05Å; P55-L64 HydrophobicContact CG-CD1 3.88Å; P55-L142 HydrophobicContact CG-CD2 4Å; P55-L142 VanDerWaalsContact O-CD1 3.31Å; P55-L142 WeakPolarHBondContact O-CD1 3.45Å; P55-Y146 HydrophobicContact CG-CE2 3.97Å
56R88.7Confident88.9Confident77 Ų7761.3 Ų61.329%0.29131%0.308SS..  trans-96-19.1177.2-66.3-170.5-177.6168.38.1113.1D14 D53 E60 Q138D14-R56 IonicContact OD1-CZ 3.41Å; D14-R56 IonicContact OD1-NH1 2.78Å; D14-R56 IonicContact OD1-NH2 2.88Å; D14-R56 PolarHBondContact OD1-NH2 3.24Å; D53-R56 VanDerWaalsContact O-CG 3.28Å; D53-R56 WeakPolarHBondContact O-CG 3.35Å; D53-R56 PolarHBondContact O-NE 3.28Å; D53-R56 IonicContact OD1-NE 3.86Å; D53-R56 IonicContact OD2-CZ 3.37Å; D53-R56 IonicContact OD2-NE 2.76Å; D53-R56 PolarHBondContact OD2-NE 3.08Å; D53-R56 IonicContact OD2-NH2 3.69Å; D53-R56 PolarHBondContact OD2-NH2 3.25Å; R56-E60 PolarHBondContact N-OE2 2.97Å; R56-Q138 WeakPolarHBondContact O-CB 3.4Å
57C89.6Confident89.7Confident31 Ų3160.9 Ų60.921%0.20930%0.296CS..SBendtrans-135.8164.517972.80000114K59 E60 A61C57-K59 PolarHBondContact O-N 3.25Å; C57-E60 PolarHBondContact N-OE2 3.12Å; C57-E60 PolarHBondContact O-N 3.44Å; C57-A61 PolarHBondContact O-N 3.27Å; C57-A61 VanDerWaalsContact O-N 3.15Å
58E90.9Very high90.1Very high64 Ų6456.8 Ų56.830%0.29930%0.301SS..Hα-helixtrans-56.4-36.6179.6-162.1-165.2165.400113.3A61 K62 L141 I145E58-A61 PolarHBondContact O-N 3.16Å; E58-K62 HydrophobicContact CG-CD 4.29Å; E58-K62 WeakPolarHBondContact O-CB 3.48Å; E58-K62 WeakPolarHBondContact O-CG 3.47Å; E58-K62 PolarHBondContact O-N 3.03Å; E58-K62 WeakPolarHBondContact OE1-CE 3.43Å; E58-K62 IonicContact OE1-NZ 2.87Å; E58-K62 PolarHBondContact OE1-NZ 2.66Å; E58-L141 HydrophobicContact CB-CB 4.45Å; E58-L141 HydrophobicContact CB-CD1 4.2Å; E58-L141 HydrophobicContact CG-CB 4.39Å; E58-I145 HydrophobicContact CB-CD1 4.48Å; E58-I145 HydrophobicContact CG-CD1 3.62Å
59K91.4Very high90.3Very high164 Ų16456.2 Ų56.271%0.71329%0.291SS*.Hα-helixtrans-66.9-42.9-177.9-67.6-179.3-179.4175.30111.8C57 A63C57-K59 PolarHBondContact O-N 3.25Å; K59-A63 WeakPolarHBondContact O-CB 3.24Å; K59-A63 PolarHBondContact O-N 2.89Å; K59-A63 VanDerWaalsContact O-N 3.07Å
60E92.4Very high90.3Very high22 Ų2256.1 Ų56.110%0.10329%0.292CS..Hα-helixtrans-65.2-45.8176.3-71.7159.8-167.200111Y17 V28 I32 F54 P55 R56 C57 K62 A63 L64Y17-E60 PolarHBondContact OH-OE1 3.45Å; Y17-E60 PolarHBondContact OH-OE2 3.41Å; V28-E60 HydrophobicContact CG1-CB 4.41Å; V28-E60 HydrophobicContact CG1-CG 4.01Å; V28-E60 HydrophobicContact CG2-CG 4.37Å; I32-E60 WeakPolarHBondContact CD1-O 3.34Å; F54-E60 HydrophobicContact CE2-CB 4.2Å; F54-E60 HydrophobicContact CE2-CG 3.96Å; F54-E60 HydrophobicContact CZ-CB 4.03Å; F54-E60 HydrophobicContact CZ-CG 4.13Å; P55-E60 HydrophobicContact CB-CB 3.56Å; R56-E60 PolarHBondContact N-OE2 2.97Å; C57-E60 PolarHBondContact N-OE2 3.12Å; C57-E60 PolarHBondContact O-N 3.44Å; E60-K62 PolarHBondContact O-N 3.22Å; E60-A63 PolarHBondContact O-N 3.44Å; E60-L64 PolarHBondContact O-N 2.83Å
61A92.2Very high90.3Very high0 Ų056 Ų560%029%0.294CS..Hα-helixtrans-60.3-44.1178.400000112.5P55 C57 E58 A63 L64 I65 L142 I145 Y146P55-A61 HydrophobicContact CB-CB 4.06Å; P55-A61 HydrophobicContact CG-CB 3.66Å; C57-A61 PolarHBondContact O-N 3.27Å; C57-A61 VanDerWaalsContact O-N 3.15Å; E58-A61 PolarHBondContact O-N 3.16Å; A61-A63 VanDerWaalsContact C-N 3.34Å; A61-A63 PolarHBondContact O-N 3.29Å; A61-L64 PolarHBondContact O-N 3.22Å; A61-I65 WeakPolarHBondContact O-CG1 3.48Å; A61-I65 PolarHBondContact O-N 3.34Å; A61-L142 HydrophobicContact CB-CD2 3.51Å; A61-I145 HydrophobicContact CB-CD1 3.82Å; A61-I145 HydrophobicContact CB-CG2 4.31Å; A61-Y146 HydrophobicContact CB-CE2 3.96Å
62K92.4Very high90Very high104 Ų10459.5 Ų59.545%0.45231%0.313SS..Hα-helixtrans-63.5-39.9175.7-78.9175.8167.3172.60112.4E58 E60 I65 N66 I145E58-K62 HydrophobicContact CG-CD 4.29Å; E58-K62 WeakPolarHBondContact O-CB 3.48Å; E58-K62 WeakPolarHBondContact O-CG 3.47Å; E58-K62 PolarHBondContact O-N 3.03Å; E58-K62 WeakPolarHBondContact OE1-CE 3.43Å; E58-K62 IonicContact OE1-NZ 2.87Å; E58-K62 PolarHBondContact OE1-NZ 2.66Å; E60-K62 PolarHBondContact O-N 3.22Å; K62-I65 PolarHBondContact O-N 3.47Å; K62-N66 PolarHBondContact O-N 3.17Å; K62-N66 PolarHBondContact O-ND2 3.06Å; K62-N66 PolarHBondContact O-OD1 3.32Å; K62-I145 HydrophobicContact CG-CD1 4.34Å
63A92.6Very high89.9Confident15 Ų1558.9 Ų58.912%0.12431%0.305CS..Hα-helixtrans-71.8-31.718000000112.3V28 I32 K59 E60 A61 N66 E67V28-A63 HydrophobicContact CG1-CB 3.72Å; I32-A63 HydrophobicContact CD1-CB 3.15Å; K59-A63 WeakPolarHBondContact O-CB 3.24Å; K59-A63 PolarHBondContact O-N 2.89Å; K59-A63 VanDerWaalsContact O-N 3.07Å; E60-A63 PolarHBondContact O-N 3.44Å; A61-A63 VanDerWaalsContact C-N 3.34Å; A61-A63 PolarHBondContact O-N 3.29Å; A63-N66 PolarHBondContact O-N 3Å; A63-E67 PolarHBondContact O-N 3.44Å; A63-E67 VanDerWaalsContact O-N 3.12Å
64L92.5Very high90.1Very high5 Ų555.7 Ų55.73%0.02629%0.29CS..Hα-helixtrans-60.2-47.9170.3-80.3168.5000110.9I32 L35 F54 P55 E60 A61 N66 E67 G68 I69I32-L64 HydrophobicContact CD1-CG 4.2Å; I32-L64 HydrophobicContact CG1-CD2 4.34Å; I32-L64 HydrophobicContact CG1-CG 4.33Å; I32-L64 HydrophobicContact CG2-CD2 4.03Å; I32-L64 HydrophobicContact CG2-CG 4.5Å; L35-L64 HydrophobicContact CD2-CD2 3.91Å; F54-L64 HydrophobicContact CD1-CD1 4.18Å; F54-L64 HydrophobicContact CE1-CD1 3.76Å; F54-L64 HydrophobicContact CE1-CD2 4.2Å; F54-L64 HydrophobicContact CE1-CG 4.15Å; P55-L64 HydrophobicContact CB-CD1 4.05Å; P55-L64 HydrophobicContact CG-CD1 3.88Å; E60-L64 PolarHBondContact O-N 2.83Å; A61-L64 PolarHBondContact O-N 3.22Å; L64-N66 VanDerWaalsContact C-N 3.32Å; L64-N66 PolarHBondContact O-N 3.28Å; L64-E67 CarbonylContact O-C 3.59Å; L64-E67 PolarHBondContact O-N 3.1Å; L64-E67 VanDerWaalsContact O-N 3.13Å; L64-G68 PolarHBondContact O-N 3.09Å; L64-I69 CarbonylContact C-O 3.55Å; L64-I69 HydrophobicContact CB-CB 4.42Å; L64-I69 HydrophobicContact CD2-CB 3.94Å; L64-I69 HydrophobicContact CD2-CD1 3.9Å; L64-I69 HydrophobicContact CD2-CG2 3.87Å; L64-I69 PolarHBondContact O-N 3.14Å
65I90.1Very high90.3Very high65 Ų6558 Ų5833%0.33330%0.302SS..Hα-helixtrans-60.3-44178.5-67.9167.3000111A61 K62 E67 G68 F70 I145A61-I65 WeakPolarHBondContact O-CG1 3.48Å; A61-I65 PolarHBondContact O-N 3.34Å; K62-I65 PolarHBondContact O-N 3.47Å; I65-E67 PolarHBondContact O-N 3.33Å; I65-G68 PolarHBondContact O-N 2.91Å; I65-F70 HydrophobicContact CD1-CD2 4.36Å; I65-F70 HydrophobicContact CD1-CE2 4.27Å; I65-F70 HydrophobicContact CG1-CD2 3.91Å; I65-F70 HydrophobicContact CG1-CE2 4.32Å; I65-I145 HydrophobicContact CD1-CG2 3.35Å
66N90Very high90.3Very high136 Ų13657.9 Ų57.973%0.72730%0.3SS*.Hα-helixtrans-62.6-30.7178.7-70.2-16.7000112.5K62 A63 L64 G68K62-N66 PolarHBondContact O-N 3.17Å; K62-N66 PolarHBondContact O-ND2 3.06Å; K62-N66 PolarHBondContact O-OD1 3.32Å; A63-N66 PolarHBondContact O-N 3Å; L64-N66 VanDerWaalsContact C-N 3.32Å; L64-N66 PolarHBondContact O-N 3.28Å; N66-G68 VanDerWaalsContact C-N 3.27Å
67E87.8Confident90.5Very high83 Ų8358.5 Ų58.539%0.38831%0.308SS..THydrogen-bonded Turntrans-84.42.2175.4-76.1-60.2147.100113.8I32 K36 A63 L64 I65 I69I32-E67 HydrophobicContact CG2-CB 3.99Å; I32-E67 HydrophobicContact CG2-CG 3.8Å; K36-E67 HydrophobicContact CD-CB 4.29Å; K36-E67 WeakPolarHBondContact CD-OE2 3.14Å; K36-E67 PolarHBondContact NZ-O 2.87Å; K36-E67 IonicContact NZ-OE2 2.99Å; K36-E67 PolarHBondContact NZ-OE2 3.48Å; A63-E67 PolarHBondContact O-N 3.44Å; A63-E67 VanDerWaalsContact O-N 3.12Å; L64-E67 CarbonylContact O-C 3.59Å; L64-E67 PolarHBondContact O-N 3.1Å; L64-E67 VanDerWaalsContact O-N 3.13Å; I65-E67 PolarHBondContact O-N 3.33Å; E67-I69 VanDerWaalsContact C-N 3.34Å; E67-I69 HydrophobicContact CB-CD1 4.42Å
68G85.1Confident90.5Very high64 Ų6460.5 Ų60.566%0.6632%0.317SS*.THydrogen-bonded Turntrans81.99.8179.400000114.3L64 I65 N66 F70L64-G68 PolarHBondContact O-N 3.09Å; I65-G68 PolarHBondContact O-N 2.91Å; N66-G68 VanDerWaalsContact C-N 3.27Å; G68-F70 PolarHBondContact O-N 3.32Å
69I88.5Confident90.4Very high17 Ų1757.8 Ų57.89%0.08731%0.306CS..  trans-91.2103.7178.2-57.3163.6000108I32 K36 L39 L64 E67I32-I69 HydrophobicContact CG2-CD1 4.34Å; K36-I69 HydrophobicContact CB-CD1 3.92Å; K36-I69 HydrophobicContact CG-CD1 4.25Å; L39-I69 HydrophobicContact CD1-CD1 3.85Å; L39-I69 HydrophobicContact CD1-CG1 4.21Å; L39-I69 HydrophobicContact CD1-CG2 3.91Å; L64-I69 CarbonylContact C-O 3.55Å; L64-I69 HydrophobicContact CB-CB 4.42Å; L64-I69 HydrophobicContact CD2-CB 3.94Å; L64-I69 HydrophobicContact CD2-CD1 3.9Å; L64-I69 HydrophobicContact CD2-CG2 3.87Å; L64-I69 PolarHBondContact O-N 3.14Å; E67-I69 VanDerWaalsContact C-N 3.34Å; E67-I69 HydrophobicContact CB-CD1 4.42Å
70F88.6Confident90.4Very high79 Ų7953 Ų5335%0.34629%0.291SS..  trans-130125.9177.4-164.9-105.5000110.7I65 G68 Y146 V149I65-F70 HydrophobicContact CD1-CD2 4.36Å; I65-F70 HydrophobicContact CD1-CE2 4.27Å; I65-F70 HydrophobicContact CG1-CD2 3.91Å; I65-F70 HydrophobicContact CG1-CE2 4.32Å; G68-F70 PolarHBondContact O-N 3.32Å; F70-Y146 HydrophobicContact CD2-CD1 4.16Å; F70-Y146 AromaticContact CD2-CE1 3.91Å; F70-Y146 HydrophobicContact CD2-CE1 3.91Å; F70-Y146 AromaticContact CE2-CD1 3.55Å; F70-Y146 HydrophobicContact CE2-CD1 3.55Å; F70-Y146 AromaticContact CE2-CE1 3.72Å; F70-Y146 HydrophobicContact CE2-CE1 3.72Å; F70-Y146 HydrophobicContact CZ-CD1 4.05Å; F70-V149 HydrophobicContact CD1-CG1 4.37Å; F70-V149 HydrophobicContact CE1-CG1 3.4Å; F70-V149 HydrophobicContact CE1-CG2 4.33Å; F70-V149 HydrophobicContact CZ-CG1 3.89Å; F70-V149 HydrophobicContact CZ-CG2 4.29Å
71P89.8Confident90.1Very high36 Ų3654.4 Ų54.423%0.23430%0.299CS..  trans-74.8147.5-172.729.4-34000113Y73 Y146 V149 R174P71-Y73 VanDerWaalsContact C-N 3.28Å; P71-Y73 PolarHBondContact O-N 2.79Å; P71-Y146 HydrophobicContact CG-CD1 3.91Å; P71-Y146 HydrophobicContact CG-CE1 3.82Å; P71-V149 HydrophobicContact CG-CG2 4.3Å; P71-R174 PolarHBondContact O-NH2 3.37Å; P71-R174 VanDerWaalsContact O-NH2 3.15Å
72D85.5Confident89.9Confident118 Ų11860.3 Ų60.363%0.63133%0.33SS*.SBendtrans-71.2-23.3170.5-73.4-44.8000113R174D72-R174 VanDerWaalsContact O-CZ 3.23Å; D72-R174 PolarHBondContact O-NE 3.36Å; D72-R174 PolarHBondContact O-NH2 2.94Å
73Y89.6Confident89.7Confident42 Ų4256.1 Ų56.117%0.16531%0.313CS..  trans-148.9131.3174.7-61.4-89.4000108.5P71 H151 V170 Q172 R390P71-Y73 VanDerWaalsContact C-N 3.28Å; P71-Y73 PolarHBondContact O-N 2.79Å; Y73-H151 AromaticContact CD1-CD2 3.84Å; Y73-H151 AromaticContact CD1-NE2 3.95Å; Y73-V170 HydrophobicContact CD2-CG1 4.34Å; Y73-V170 HydrophobicContact CE2-CG1 4.3Å; Y73-V170 HydrophobicContact CG-CG2 4.45Å; Y73-V170 PolarHBondContact OH-O 2.89Å; Y73-V170 VanDerWaalsContact OH-O 3.07Å; Y73-Q172 PolarHBondContact OH-O 2.97Å; Y73-R390 VanDerWaalsContact CE2-NH2 3.26Å; Y73-R390 PolarHBondContact OH-NH2 2.65Å
74A92.4Very high89.3Confident12 Ų1258.2 Ų58.210%0.09932%0.322CS..EExtended strand (participates in β ladder)trans-107.6108.1166.700000107.8F76 Y146 V149 A150 H151A74-F76 HydrophobicContact CB-CE2 3.71Å; A74-F76 HydrophobicContact CB-CZ 4.13Å; A74-Y146 HydrophobicContact CB-CG 4.21Å; A74-V149 HydrophobicContact CB-CG2 3.76Å; A74-V149 PolarHBondContact N-O 2.74Å; A74-A150 CarbonylContact O-C 3.42Å; A74-A150 WeakPolarHBondContact O-CA 3.41Å; A74-H151 PolarHBondContact O-N 3.06Å
75I93.3Very high89Confident62 Ų6258.6 Ų58.632%0.31832%0.324SS..EExtended strand (participates in β ladder)trans-97119.7-177.1-65157.2000108.5L77 H151 F153 V166 V170I75-L77 HydrophobicContact CG2-CD2 3.94Å; I75-L77 HydrophobicContact CG2-CG 4.47Å; I75-H151 WeakPolarHBondContact CA-O 3.38Å; I75-F153 HydrophobicContact CG2-CD2 3.84Å; I75-F153 HydrophobicContact CG2-CE2 4.1Å; I75-V166 HydrophobicContact CD1-CG1 3.51Å; I75-V166 HydrophobicContact CG1-CG1 4.32Å; I75-V166 HydrophobicContact CG2-CG1 4.38Å; I75-V166 HydrophobicContact CG2-CG2 4.21Å; I75-V170 HydrophobicContact CD1-CG2 3.89Å
76F93.2Very high88.7Confident20 Ų2061.7 Ų61.79%0.08834%0.337CS..EExtended strand (participates in β ladder)trans-107.8117.7177.9-64.6-78.2000108.8A74 M139 L142 K143 A150 H151 E152 F153A74-F76 HydrophobicContact CB-CE2 3.71Å; A74-F76 HydrophobicContact CB-CZ 4.13Å; F76-M139 HydrophobicContact CD1-CE 4.35Å; F76-M139 HydrophobicContact CD1-SD 3.24Å; F76-M139 WeakPolarHBondContact CD1-SD 3.47Å; F76-M139 HydrophobicContact CE1-SD 3.44Å; F76-M139 WeakPolarHBondContact CE1-SD 3.5Å; F76-M139 HydrophobicContact CG-SD 4.42Å; F76-L142 HydrophobicContact CE1-CB 4.26Å; F76-L142 HydrophobicContact CZ-CB 4.47Å; F76-K143 HydrophobicContact CD1-CG 4Å; F76-K143 HydrophobicContact CD2-CG 4.12Å; F76-K143 HydrophobicContact CE1-CG 3.88Å; F76-K143 HydrophobicContact CE2-CG 4.03Å; F76-K143 HydrophobicContact CG-CG 4.09Å; F76-K143 HydrophobicContact CZ-CG 3.89Å; F76-A150 HydrophobicContact CD2-CB 3.93Å; F76-A150 HydrophobicContact CE2-CB 3.5Å; F76-H151 PolarHBondContact N-O 2.74Å; F76-E152 HydrophobicContact CB-CG 4.06Å; F76-E152 CarbonylContact O-C 3.56Å; F76-E152 WeakPolarHBondContact O-CA 3.45Å; F76-F153 PolarHBondContact O-N 3.07Å
77L91.9Very high88.4Confident89 Ų8957.5 Ų57.547%0.46631%0.311SS..EExtended strand (participates in β ladder)trans-94113.8176.3-60.1-174.8000108.2I75 F153 A155 L162I75-L77 HydrophobicContact CG2-CD2 3.94Å; I75-L77 HydrophobicContact CG2-CG 4.47Å; L77-F153 HydrophobicContact CD2-CB 4.1Å; L77-A155 HydrophobicContact CB-CB 4.09Å; L77-L162 HydrophobicContact CD1-CD2 4.33Å; L77-L162 HydrophobicContact CD2-CD1 3.88Å; L77-L162 HydrophobicContact CD2-CD2 4.03Å; L77-L162 HydrophobicContact CD2-CG 4.34Å
78D90.5Very high88.1Confident73 Ų7354.2 Ų54.239%0.3930%0.298SS..EExtended strand (participates in β ladder)trans-109.7132.3-177.9-167.117000110.7F153 N154 A155D78-F153 PolarHBondContact N-O 2.84Å; D78-N154 CarbonylContact O-C 3.49Å; D78-N154 WeakPolarHBondContact O-CA 3.26Å; D78-N154 PolarHBondContact O-OD1 3.27Å; D78-A155 PolarHBondContact O-N 3.36Å
79A89.2Confident87.8Confident8 Ų853.6 Ų53.67%0.06628%0.284CS..  trans-141.8145.2176.100000109.6L84 A155A79-L84 HydrophobicContact CB-CD2 3.93Å; A79-L84 HydrophobicContact CB-CG 4.12Å; A79-A155 HydrophobicContact CB-CB 4.23Å
80P89.9Confident87.4Confident63 Ų6354 Ų5441%0.40929%0.292SS..  trans-56.4141.7174.6-21.932000111.5L82 T83 L84P80-L82 PolarHBondContact O-N 3.5Å; P80-T83 WeakPolarHBondContact O-CB 3.19Å; P80-T83 PolarHBondContact O-N 3.46Å; P80-L84 PolarHBondContact O-N 2.89Å; P80-L84 VanDerWaalsContact O-N 3.08Å
81L86.9Confident87.1Confident51 Ų5153.3 Ų53.327%0.26729%0.29SS..Hα-helixtrans-52.6-40.6178.2172.757.5000112.6T83 L84 I85 K129 Y132L81-T83 PolarHBondContact O-N 2.71Å; L81-L84 PolarHBondContact O-N 2.88Å; L81-I85 HydrophobicContact CD1-CD1 3.85Å; L81-I85 HydrophobicContact CD1-CG1 4.04Å; L81-I85 HydrophobicContact CG-CD1 3.89Å; L81-I85 HydrophobicContact CG-CG1 4.5Å; L81-I85 WeakPolarHBondContact O-CG1 3.23Å; L81-I85 PolarHBondContact O-N 3.03Å; L81-K129 HydrophobicContact CD1-CG 4.47Å; L81-K129 HydrophobicContact CD2-CG 4.27Å; L81-Y132 HydrophobicContact CB-CD1 4.12Å; L81-Y132 HydrophobicContact CB-CE1 3.76Å; L81-Y132 HydrophobicContact CB-CE2 4.5Å; L81-Y132 HydrophobicContact CD1-CD1 3.7Å; L81-Y132 HydrophobicContact CD1-CD2 4.15Å; L81-Y132 HydrophobicContact CD1-CE1 4.24Å; L81-Y132 HydrophobicContact CD1-CG 3.64Å; L81-Y132 HydrophobicContact CD2-CD1 4.01Å; L81-Y132 HydrophobicContact CD2-CE1 4.23Å; L81-Y132 HydrophobicContact CG-CD1 4.16Å; L81-Y132 HydrophobicContact CG-CE1 4.29Å
82L88.1Confident86.8Confident125 Ų12555.7 Ų55.765%0.65429%0.294SS*.Hα-helixtrans-60.4-46.5178-66.6175.6000111.2P80 L84 I85 E86P80-L82 PolarHBondContact O-N 3.5Å; L82-L84 VanDerWaalsContact C-N 3.28Å; L82-L84 PolarHBondContact O-N 2.94Å; L82-I85 PolarHBondContact O-N 3.37Å; L82-E86 WeakPolarHBondContact O-CG 3.35Å; L82-E86 PolarHBondContact O-N 3.01Å
83T87.1Confident86.8Confident15 Ų1553.9 Ų53.99%0.09228%0.283CS..Hα-helixtrans-58.9-39.6175.6-480000111.8P80 L81 E86 R87 D156P80-T83 WeakPolarHBondContact O-CB 3.19Å; P80-T83 PolarHBondContact O-N 3.46Å; L81-T83 PolarHBondContact O-N 2.71Å; T83-E86 PolarHBondContact O-N 3.36Å; T83-R87 WeakPolarHBondContact O-CB 3.46Å; T83-R87 VanDerWaalsContact O-CG 3.28Å; T83-R87 WeakPolarHBondContact O-CG 3.36Å; T83-R87 PolarHBondContact O-N 3.28Å; T83-D156 VanDerWaalsContact CG2-OD1 3.24Å; T83-D156 WeakPolarHBondContact CG2-OD1 3.46Å
84L85.9Confident86.6Confident59 Ų5951.9 Ų51.931%0.30928%0.275SS..Hα-helixtrans-67.6-40.8177.8-66176.6000112.2A79 P80 L81 L82 R87 A88 Y132A79-L84 HydrophobicContact CB-CD2 3.93Å; A79-L84 HydrophobicContact CB-CG 4.12Å; P80-L84 PolarHBondContact O-N 2.89Å; P80-L84 VanDerWaalsContact O-N 3.08Å; L81-L84 PolarHBondContact O-N 2.88Å; L82-L84 VanDerWaalsContact C-N 3.28Å; L82-L84 PolarHBondContact O-N 2.94Å; L84-R87 PolarHBondContact O-N 3.47Å; L84-A88 WeakPolarHBondContact O-CB 3.38Å; L84-A88 PolarHBondContact O-N 2.66Å; L84-Y132 HydrophobicContact CD1-CD2 3.56Å; L84-Y132 HydrophobicContact CD1-CE2 3.48Å; L84-Y132 VanDerWaalsContact CD1-CE2 3.48Å
85I84.7Confident86.2Confident14 Ų1455.1 Ų55.17%0.07230%0.295CS..Hα-helixtrans-63.6-44.5175-66.9166.1000110.2L81 L82 R87 A88 S89 E125 I128 K129L81-I85 HydrophobicContact CD1-CD1 3.85Å; L81-I85 HydrophobicContact CD1-CG1 4.04Å; L81-I85 HydrophobicContact CG-CD1 3.89Å; L81-I85 HydrophobicContact CG-CG1 4.5Å; L81-I85 WeakPolarHBondContact O-CG1 3.23Å; L81-I85 PolarHBondContact O-N 3.03Å; L82-I85 PolarHBondContact O-N 3.37Å; I85-R87 VanDerWaalsContact C-N 3.33Å; I85-R87 PolarHBondContact O-N 3.38Å; I85-A88 PolarHBondContact O-N 2.79Å; I85-S89 VanDerWaalsContact O-CB 3.27Å; I85-S89 WeakPolarHBondContact O-CB 3.47Å; I85-S89 PolarHBondContact O-N 3.47Å; I85-S89 PolarHBondContact O-OG 3.45Å; I85-S89 VanDerWaalsContact O-OG 3.12Å; I85-E125 HydrophobicContact CG2-CG 3.94Å; I85-I128 HydrophobicContact CG1-CB 4.48Å; I85-I128 HydrophobicContact CG1-CG2 3.86Å; I85-K129 HydrophobicContact CD1-CG 4.16Å
86E83.6Confident85.8Confident129 Ų12957.8 Ų57.860%0.60331%0.31SS*.Hα-helixtrans-60.7-42.6176.5-73.6174.5-176.900111.5L82 T83 S89 G90L82-E86 WeakPolarHBondContact O-CG 3.35Å; L82-E86 PolarHBondContact O-N 3.01Å; T83-E86 PolarHBondContact O-N 3.36Å; E86-S89 PolarHBondContact O-OG 3.39Å; E86-G90 PolarHBondContact O-N 3.26Å
87R84.1Confident85.3Confident48 Ų4860.4 Ų60.418%0.18133%0.325CS..Hα-helixtrans-62.9-50.3176.6-77.5176.5-176.5169.55.7112.3T83 L84 I85 G90 E91 N102 A155T83-R87 WeakPolarHBondContact O-CB 3.46Å; T83-R87 VanDerWaalsContact O-CG 3.28Å; T83-R87 WeakPolarHBondContact O-CG 3.36Å; T83-R87 PolarHBondContact O-N 3.28Å; L84-R87 PolarHBondContact O-N 3.47Å; I85-R87 VanDerWaalsContact C-N 3.33Å; I85-R87 PolarHBondContact O-N 3.38Å; R87-G90 CarbonylContact O-C 3.49Å; R87-G90 PolarHBondContact O-N 2.75Å; R87-G90 VanDerWaalsContact O-N 3.14Å; R87-E91 PolarHBondContact O-N 3.04Å; R87-E91 VanDerWaalsContact O-N 3.12Å; R87-N102 PolarHBondContact O-ND2 2.8Å; R87-A155 VanDerWaalsContact CZ-O 3.31Å; R87-A155 PolarHBondContact NH1-O 3.16Å; R87-A155 PolarHBondContact NH2-O 2.99Å
88A81.3Confident84.6Confident14 Ų1458 Ų5812%0.11632%0.321CS..Hα-helixtrans-64.1-41.5179.500000111.6L84 I85 G90 E91 N123 I128L84-A88 WeakPolarHBondContact O-CB 3.38Å; L84-A88 PolarHBondContact O-N 2.66Å; I85-A88 PolarHBondContact O-N 2.79Å; A88-G90 PolarHBondContact O-N 2.8Å; A88-E91 WeakPolarHBondContact O-CB 3.38Å; A88-E91 PolarHBondContact O-N 2.85Å; A88-E91 VanDerWaalsContact O-N 3.1Å; A88-N123 PolarHBondContact O-ND2 3.27Å; A88-I128 HydrophobicContact CB-CD1 3.58Å
89S80.1Confident84.2Confident52 Ų5258.3 Ų58.336%0.36432%0.323SS..Hα-helixtrans-66.2-22.7176.471.70000113I85 E86 K119I85-S89 VanDerWaalsContact O-CB 3.27Å; I85-S89 WeakPolarHBondContact O-CB 3.47Å; I85-S89 PolarHBondContact O-N 3.47Å; I85-S89 PolarHBondContact O-OG 3.45Å; I85-S89 VanDerWaalsContact O-OG 3.12Å; E86-S89 PolarHBondContact O-OG 3.39Å; S89-K119 WeakPolarHBondContact O-CE 3.34Å; S89-K119 PolarHBondContact O-NZ 3.09Å
90G80.1Confident83.8Confident25 Ų2562 Ų6226%0.25834%0.341SS..THydrogen-bonded Turntrans-90-5.7174.100000114.9E86 R87 A88E86-G90 PolarHBondContact O-N 3.26Å; R87-G90 CarbonylContact O-C 3.49Å; R87-G90 PolarHBondContact O-N 2.75Å; R87-G90 VanDerWaalsContact O-N 3.14Å; A88-G90 PolarHBondContact O-N 2.8Å
91E82.3Confident83.5Confident65 Ų6560.8 Ų60.830%0.30433%0.328SS..EExtended strand (participates in β ladder)trans-69136.9179.4-80.3174.9175.500111.8R87 A88 Y101 I120R87-E91 PolarHBondContact O-N 3.04Å; R87-E91 VanDerWaalsContact O-N 3.12Å; A88-E91 WeakPolarHBondContact O-CB 3.38Å; A88-E91 PolarHBondContact O-N 2.85Å; A88-E91 VanDerWaalsContact O-N 3.1Å; E91-Y101 WeakPolarHBondContact CA-O 3.5Å; E91-I120 HydrophobicContact CB-CD1 4.18Å; E91-I120 PolarHBondContact O-N 2.89Å
92R83.6Confident83.2Confident85 Ų8559 Ų5932%0.32132%0.32SS..EExtended strand (participates in β ladder)trans-131.7136.9176.1-54.5177.5172.3-1131.2108.9Y101 L117 V118R92-Y101 PolarHBondContact N-O 3.45Å; R92-Y101 PolarHBondContact O-N 3.23Å; R92-L117 HydrophobicContact CB-CB 3.74Å; R92-L117 HydrophobicContact CB-CD1 4.24Å; R92-L117 HydrophobicContact CB-CG 4.39Å; R92-L117 HydrophobicContact CG-CB 4.42Å; R92-V118 CarbonylContact C-O 3.47Å; R92-V118 WeakPolarHBondContact CA-O 3.44Å; R92-V118 WeakPolarHBondContact CB-O 3.33Å
93M84.3Confident82.8Confident81 Ų8156.4 Ų56.440%0.39931%0.306SS..EExtended strand (participates in β ladder)trans-96.6135.7175.9-170.1176.7-70.300109P95 D99 L100 V118 I120M93-P95 WeakPolarHBondContact O-CD 3.49Å; M93-D99 WeakPolarHBondContact CA-O 3.39Å; M93-L100 HydrophobicContact CB-CD2 4.16Å; M93-L100 HydrophobicContact CE-CD2 3.9Å; M93-L100 HydrophobicContact CG-CD2 4.34Å; M93-V118 PolarHBondContact N-O 3.3Å; M93-V118 PolarHBondContact O-N 3.18Å; M93-I120 HydrophobicContact CB-CD1 4.09Å; M93-I120 HydrophobicContact CB-CG1 3.97Å; M93-I120 HydrophobicContact CE-CD1 4.11Å
94D85.9Confident82.4Confident0 Ų062.5 Ų62.50%034%0.336CS..  trans-79.1118.3165.8-179.9-8.3000109.1D96 N97 G98 D99 Y101 V113 R116 L117D94-D96 PolarHBondContact O-N 3.24Å; D94-D96 PolarHBondContact OD1-N 3.07Å; D94-N97 WeakPolarHBondContact CB-OD1 3.49Å; D94-N97 PolarHBondContact OD2-ND2 3.09Å; D94-N97 PolarHBondContact OD2-OD1 3.05Å; D94-N97 VanDerWaalsContact OD2-OD1 3.11Å; D94-G98 VanDerWaalsContact O-CA 3.23Å; D94-G98 WeakPolarHBondContact O-CA 3.24Å; D94-G98 PolarHBondContact O-N 3.24Å; D94-D99 PolarHBondContact N-O 3.08Å; D94-Y101 HydrophobicContact CB-CD2 4.23Å; D94-Y101 HydrophobicContact CB-CE2 3.9Å; D94-V113 WeakPolarHBondContact OD2-CG1 3.25Å; D94-R116 VanDerWaalsContact OD1-CD 3.3Å; D94-R116 WeakPolarHBondContact OD1-CD 3.19Å; D94-R116 IonicContact OD1-CZ 2.65Å; D94-R116 IonicContact OD1-NE 3.13Å; D94-R116 PolarHBondContact OD1-NE 2.81Å; D94-R116 IonicContact OD1-NH2 2.63Å; D94-R116 IonicContact OD2-CZ 3.06Å; D94-R116 IonicContact OD2-NE 3.28Å; D94-R116 PolarHBondContact OD2-NE 3.35Å; D94-R116 IonicContact OD2-NH2 3.85Å; D94-R116 PolarHBondContact OD2-NH2 2.85Å; D94-L117 HydrophobicContact CB-CD2 3.74Å
95P84.2Confident81.8Confident79 Ų7963.7 Ų63.751%0.51334%0.34SS..THydrogen-bonded Turntrans-67.4-17.9-175.427.3-34.8000113.9M93 R116 V118M93-P95 WeakPolarHBondContact O-CD 3.49Å; P95-R116 WeakPolarHBondContact CD-O 3.46Å; P95-V118 HydrophobicContact CG-CG2 4.34Å
96D85.2Confident81.5Confident118 Ų11867.1 Ų67.163%0.63136%0.358SS*.THydrogen-bonded Turntrans-85.7-35.4-173.7-69.9-19.8000112.9D94 R116D94-D96 PolarHBondContact O-N 3.24Å; D94-D96 PolarHBondContact OD1-N 3.07Å; D96-R116 WeakPolarHBondContact OD2-CD 3.31Å; D96-R116 IonicContact OD2-CZ 2.83Å; D96-R116 VanDerWaalsContact OD2-CZ 3.28Å; D96-R116 IonicContact OD2-NE 3.56Å; D96-R116 IonicContact OD2-NH1 3.46Å; D96-R116 PolarHBondContact OD2-NH1 3.08Å
97N82.2Confident81.4Confident75 Ų7564.7 Ų64.740%0.40135%0.354SS..THydrogen-bonded Turntrans-120.6-11.9-177.555.94.3000113.4D94 D99D94-N97 WeakPolarHBondContact CB-OD1 3.49Å; D94-N97 PolarHBondContact OD2-ND2 3.09Å; D94-N97 PolarHBondContact OD2-OD1 3.05Å; D94-N97 VanDerWaalsContact OD2-OD1 3.11Å; N97-D99 VanDerWaalsContact C-N 3.27Å; N97-D99 VanDerWaalsContact CG-OD2 3.26Å; N97-D99 PolarHBondContact ND2-OD2 2.99Å; N97-D99 PolarHBondContact OD1-N 3.41Å; N97-D99 VanDerWaalsContact OD1-N 3.13Å
98G77.8Confident81.4Confident38 Ų3863.1 Ų63.139%0.39235%0.35SS..  trans77.98.3-176.200000114.1D94D94-G98 VanDerWaalsContact O-CA 3.23Å; D94-G98 WeakPolarHBondContact O-CA 3.24Å; D94-G98 PolarHBondContact O-N 3.24Å
99D80.7Confident81.6Confident80 Ų8068.8 Ų68.843%0.42839%0.389SS..  trans-72141.3-177.2-73.1-29.1000111.3M93 D94 N97 Y101M93-D99 WeakPolarHBondContact CA-O 3.39Å; D94-D99 PolarHBondContact N-O 3.08Å; N97-D99 VanDerWaalsContact C-N 3.27Å; N97-D99 VanDerWaalsContact CG-OD2 3.26Å; N97-D99 PolarHBondContact ND2-OD2 2.99Å; N97-D99 PolarHBondContact OD1-N 3.41Å; N97-D99 VanDerWaalsContact OD1-N 3.13Å; D99-Y101 HydrophobicContact CB-CD2 4.44Å; D99-Y101 HydrophobicContact CB-CE2 3.7Å
100L81.5Confident81.8Confident85 Ų8570.3 Ų70.345%0.44539%0.393SS..EExtended strand (participates in β ladder)trans-95.3128-179.5-64.6175.1000111.4M93 N106 I120M93-L100 HydrophobicContact CB-CD2 4.16Å; M93-L100 HydrophobicContact CE-CD2 3.9Å; M93-L100 HydrophobicContact CG-CD2 4.34Å; L100-N106 PolarHBondContact O-ND2 2.84Å; L100-I120 HydrophobicContact CD2-CD1 3.28Å
101Y83.3Confident82Confident38 Ų3875 Ų7515%0.14941%0.411CS..EExtended strand (participates in β ladder)trans-124.4152.7178.6-66-84.8000111.3E91 R92 D94 D99 P108 V113 L117E91-Y101 WeakPolarHBondContact CA-O 3.5Å; R92-Y101 PolarHBondContact N-O 3.45Å; R92-Y101 PolarHBondContact O-N 3.23Å; D94-Y101 HydrophobicContact CB-CD2 4.23Å; D94-Y101 HydrophobicContact CB-CE2 3.9Å; D99-Y101 HydrophobicContact CB-CD2 4.44Å; D99-Y101 HydrophobicContact CB-CE2 3.7Å; Y101-P108 HydrophobicContact CD1-CB 3.79Å; Y101-P108 HydrophobicContact CD1-CG 4.37Å; Y101-P108 HydrophobicContact CE1-CB 3.68Å; Y101-P108 HydrophobicContact CG-CB 4.42Å; Y101-V113 HydrophobicContact CD2-CG1 4.48Å; Y101-V113 HydrophobicContact CE2-CG1 3.85Å; Y101-L117 HydrophobicContact CD2-CD1 4.34Å; Y101-L117 HydrophobicContact CD2-CD2 3.37Å; Y101-L117 HydrophobicContact CD2-CG 4.47Å; Y101-L117 HydrophobicContact CE2-CD2 4.04Å; Y101-L117 HydrophobicContact CG-CD1 4.14Å; Y101-L117 HydrophobicContact CG-CD2 4.02Å
102N81.2Confident82.1Confident15 Ų1574.8 Ų74.88%0.0842%0.417CS..EExtended strand (participates in β ladder)trans-133.4120.4169.5180-58.9000107.3R87 I104 H105 N106R87-N102 PolarHBondContact O-ND2 2.8Å; N102-I104 PolarHBondContact O-N 3.27Å; N102-I104 PolarHBondContact OD1-N 3.09Å; N102-H105 HydrophobicContact CB-CB 4.39Å; N102-H105 PolarHBondContact O-N 2.91Å; N102-H105 PolarHBondContact OD1-N 3.39Å; N102-H105 VanDerWaalsContact OD1-N 3.12Å; N102-N106 PolarHBondContact N-O 3.16Å; N102-N106 VanDerWaalsContact N-O 3.17Å; N102-N106 CarbonylContact O-C 3.46Å; N102-N106 WeakPolarHBondContact O-CA 3.27Å; N102-N106 PolarHBondContact O-N 3.4Å
103L79.7Confident82Confident69 Ų6971.4 Ų71.436%0.36141%0.406SS..THydrogen-bonded Turntrans-58.6-22.2-171.6-62.4176.1000114E114 L117L103-E114 HydrophobicContact CD2-CG 3.8Å; L103-L117 HydrophobicContact CD2-CD1 4.18Å
104I78.4Confident81.9Confident143 Ų14371.7 Ų71.773%0.73341%0.406SS*.THydrogen-bonded Turntrans-94.7-48.5179.6-58.4173.7000110.5N102N102-I104 PolarHBondContact O-N 3.27Å; N102-I104 PolarHBondContact OD1-N 3.09Å
105H73.3Confident81.8Confident85 Ų8580.5 Ų80.539%0.39445%0.445SS..THydrogen-bonded Turntrans-98-26.1-168.5-62.8-65.2000114.5N102N102-H105 HydrophobicContact CB-CB 4.39Å; N102-H105 PolarHBondContact O-N 2.91Å; N102-H105 PolarHBondContact OD1-N 3.39Å; N102-H105 VanDerWaalsContact OD1-N 3.12Å
106N79.5Confident82Confident85 Ų8580.9 Ų80.946%0.45544%0.436SS..BIsolated β-bridgetrans-147.268.9179.4-172.634.1000110.1L100 N102L100-N106 PolarHBondContact O-ND2 2.84Å; N102-N106 PolarHBondContact N-O 3.16Å; N102-N106 VanDerWaalsContact N-O 3.17Å; N102-N106 CarbonylContact O-C 3.46Å; N102-N106 WeakPolarHBondContact O-CA 3.27Å; N102-N106 PolarHBondContact O-N 3.4Å
107P81.5Confident82Confident78 Ų7875.8 Ų75.851%0.50641%0.408SS..  trans-69.9142.2179.228.2-33.4000110.6
108P83.8Confident82.1Confident15 Ų1576.3 Ų76.310%0.09741%0.414CS..  trans-63.3144.317427.6-34.3000110.8Y101 D110 V113 E114 L117Y101-P108 HydrophobicContact CD1-CB 3.79Å; Y101-P108 HydrophobicContact CD1-CG 4.37Å; Y101-P108 HydrophobicContact CE1-CB 3.68Å; Y101-P108 HydrophobicContact CG-CB 4.42Å; P108-D110 VanDerWaalsContact C-N 3.28Å; P108-D110 PolarHBondContact O-N 2.93Å; P108-V113 HydrophobicContact CB-CB 3.86Å; P108-V113 HydrophobicContact CB-CG1 3.65Å; P108-V113 HydrophobicContact CG-CB 4.48Å; P108-V113 HydrophobicContact CG-CG1 4.32Å; P108-E114 HydrophobicContact CG-CB 3.73Å; P108-E114 HydrophobicContact CG-CG 4.1Å; P108-L117 HydrophobicContact CG-CD1 4.04Å
109S84.2Confident82.2Confident133 Ų13380.2 Ų80.293%0.9342%0.421SS*.SBendtrans-72.1-21.7178.842.10000113.7
110D86Confident81.9Confident84 Ų8478 Ų7845%0.44941%0.408SS..SBendtrans-112.2132.3178.4-172.2-1.3000111P108 S112 V113 E114P108-D110 VanDerWaalsContact C-N 3.28Å; P108-D110 PolarHBondContact O-N 2.93Å; D110-S112 PolarHBondContact O-N 3.33Å; D110-S112 PolarHBondContact OD1-N 3.4Å; D110-S112 PolarHBondContact OD1-OG 2.8Å; D110-S112 PolarHBondContact OD2-OG 3.27Å; D110-V113 HydrophobicContact CB-CG2 4.1Å; D110-V113 WeakPolarHBondContact O-CB 3.21Å; D110-V113 PolarHBondContact O-N 3.2Å; D110-E114 PolarHBondContact O-N 3.17Å
111L83.1Confident81.2Confident123 Ų12380.1 Ų80.164%0.64443%0.425SS*.Hα-helixtrans-62.6-24.6176-69.1165.9000112.3K115L111-K115 WeakPolarHBondContact O-CG 3.45Å; L111-K115 PolarHBondContact O-N 3.1Å
112S84.4Confident80.3Confident62 Ų6286 Ų8643%0.43445%0.453SS..Hα-helixtrans-66.6-41.4175.474.30000111.6D110 K115D110-S112 PolarHBondContact O-N 3.33Å; D110-S112 PolarHBondContact OD1-N 3.4Å; D110-S112 PolarHBondContact OD1-OG 2.8Å; D110-S112 PolarHBondContact OD2-OG 3.27Å; S112-K115 PolarHBondContact O-N 3.47Å
113V82Confident79.6Confident14 Ų1487.6 Ų87.69%0.08546%0.462CS..Hα-helixtrans-65.7-45.5177.2178.10000109.8D94 Y101 P108 D110 K115 R116 L117D94-V113 WeakPolarHBondContact OD2-CG1 3.25Å; Y101-V113 HydrophobicContact CD2-CG1 4.48Å; Y101-V113 HydrophobicContact CE2-CG1 3.85Å; P108-V113 HydrophobicContact CB-CB 3.86Å; P108-V113 HydrophobicContact CB-CG1 3.65Å; P108-V113 HydrophobicContact CG-CB 4.48Å; P108-V113 HydrophobicContact CG-CG1 4.32Å; D110-V113 HydrophobicContact CB-CG2 4.1Å; D110-V113 WeakPolarHBondContact O-CB 3.21Å; D110-V113 PolarHBondContact O-N 3.2Å; V113-K115 PolarHBondContact O-N 3.44Å; V113-K115 VanDerWaalsContact O-N 3.15Å; V113-R116 WeakPolarHBondContact O-CG 3.26Å; V113-R116 PolarHBondContact O-N 2.98Å; V113-L117 HydrophobicContact CG1-CD2 4.18Å; V113-L117 WeakPolarHBondContact O-CG 3.17Å; V113-L117 PolarHBondContact O-N 2.84Å
114E81.9Confident79.2Confident87 Ų8789.1 Ų89.141%0.40747%0.471SS..Hα-helixtrans-54.3-38.4179.8-161.8-176.7168.700113.1L103 P108 D110L103-E114 HydrophobicContact CD2-CG 3.8Å; P108-E114 HydrophobicContact CG-CB 3.73Å; P108-E114 HydrophobicContact CG-CG 4.1Å; D110-E114 PolarHBondContact O-N 3.17Å
115K84.1Confident79.3Confident185 Ų18587.6 Ų87.680%0.80446%0.461SS*.Hα-helixtrans-73-25.5-178.8-69.7178.9-175.5178.60114.1L111 S112 V113L111-K115 WeakPolarHBondContact O-CG 3.45Å; L111-K115 PolarHBondContact O-N 3.1Å; S112-K115 PolarHBondContact O-N 3.47Å; V113-K115 PolarHBondContact O-N 3.44Å; V113-K115 VanDerWaalsContact O-N 3.15Å
116R87.9Confident79.7Confident86 Ų8690.8 Ų90.833%0.32548%0.476SS..Hα-helixtrans-92.4-8.6179.864.4175.5-176.7-159.44.5113.7D94 P95 D96 V113 V118D94-R116 VanDerWaalsContact OD1-CD 3.3Å; D94-R116 WeakPolarHBondContact OD1-CD 3.19Å; D94-R116 IonicContact OD1-CZ 2.65Å; D94-R116 IonicContact OD1-NE 3.13Å; D94-R116 PolarHBondContact OD1-NE 2.81Å; D94-R116 IonicContact OD1-NH2 2.63Å; D94-R116 IonicContact OD2-CZ 3.06Å; D94-R116 IonicContact OD2-NE 3.28Å; D94-R116 PolarHBondContact OD2-NE 3.35Å; D94-R116 IonicContact OD2-NH2 3.85Å; D94-R116 PolarHBondContact OD2-NH2 2.85Å; P95-R116 WeakPolarHBondContact CD-O 3.46Å; D96-R116 WeakPolarHBondContact OD2-CD 3.31Å; D96-R116 IonicContact OD2-CZ 2.83Å; D96-R116 VanDerWaalsContact OD2-CZ 3.28Å; D96-R116 IonicContact OD2-NE 3.56Å; D96-R116 IonicContact OD2-NH1 3.46Å; D96-R116 PolarHBondContact OD2-NH1 3.08Å; V113-R116 WeakPolarHBondContact O-CG 3.26Å; V113-R116 PolarHBondContact O-N 2.98Å; R116-V118 PolarHBondContact O-N 2.76Å
117L85.6Confident79.8Confident11 Ų1190.7 Ų90.76%0.05848%0.475CS..PPolyproline II helixtrans-61.3119.3-178.8-69.5-174.9000112.8R92 D94 Y101 L103 P108 V113R92-L117 HydrophobicContact CB-CB 3.74Å; R92-L117 HydrophobicContact CB-CD1 4.24Å; R92-L117 HydrophobicContact CB-CG 4.39Å; R92-L117 HydrophobicContact CG-CB 4.42Å; D94-L117 HydrophobicContact CB-CD2 3.74Å; Y101-L117 HydrophobicContact CD2-CD1 4.34Å; Y101-L117 HydrophobicContact CD2-CD2 3.37Å; Y101-L117 HydrophobicContact CD2-CG 4.47Å; Y101-L117 HydrophobicContact CE2-CD2 4.04Å; Y101-L117 HydrophobicContact CG-CD1 4.14Å; Y101-L117 HydrophobicContact CG-CD2 4.02Å; L103-L117 HydrophobicContact CD2-CD1 4.18Å; P108-L117 HydrophobicContact CG-CD1 4.04Å; V113-L117 HydrophobicContact CG1-CD2 4.18Å; V113-L117 WeakPolarHBondContact O-CG 3.17Å; V113-L117 PolarHBondContact O-N 2.84Å
118V84.4Confident79.8Confident86 Ų8688.3 Ų88.352%0.52146%0.458SS..EExtended strand (participates in β ladder)trans-97.1133.6178.3-174.50000109.7R92 M93 P95 R116 I120R92-V118 CarbonylContact C-O 3.47Å; R92-V118 WeakPolarHBondContact CA-O 3.44Å; R92-V118 WeakPolarHBondContact CB-O 3.33Å; M93-V118 PolarHBondContact N-O 3.3Å; M93-V118 PolarHBondContact O-N 3.18Å; P95-V118 HydrophobicContact CG-CG2 4.34Å; R116-V118 PolarHBondContact O-N 2.76Å; V118-I120 PolarHBondContact O-N 3.43Å
119K79.3Confident79.9Confident121 Ų12191.9 Ų91.953%0.52647%0.472SS..EExtended strand (participates in β ladder)trans-68.3132.1176.4-167.3-179.8-174.7-178.40109.9S89 T121S89-K119 WeakPolarHBondContact O-CE 3.34Å; S89-K119 PolarHBondContact O-NZ 3.09Å; K119-T121 PolarHBondContact O-N 2.87Å
120I75.6Confident80Confident32 Ų3290.2 Ų90.216%0.16445%0.452CS..PPolyproline II helixtrans-75.5118.5177.4-60.6170.6000108.4E91 M93 L100 V118 E122E91-I120 HydrophobicContact CB-CD1 4.18Å; E91-I120 PolarHBondContact O-N 2.89Å; M93-I120 HydrophobicContact CB-CD1 4.09Å; M93-I120 HydrophobicContact CB-CG1 3.97Å; M93-I120 HydrophobicContact CE-CD1 4.11Å; L100-I120 HydrophobicContact CD2-CD1 3.28Å; V118-I120 PolarHBondContact O-N 3.43Å; I120-E122 HydrophobicContact CG2-CB 4.28Å
121T66.5Low79.9Confident130 Ų13092.3 Ų92.380%0.79846%0.459SS*.THydrogen-bonded Turntrans-85.3-10.3-177.647.20000113.6K119 N123K119-T121 PolarHBondContact O-N 2.87Å; T121-N123 VanDerWaalsContact C-N 3.3Å; T121-N123 PolarHBondContact O-N 3.1Å
122E64.6Low80.1Confident161 Ų16188.8 Ų88.875%0.75244%0.437SS*.THydrogen-bonded Turntrans-83.8-0.2-176.7-63.4-175.1168.200114.2I120 D124I120-E122 HydrophobicContact CG2-CB 4.28Å; E122-D124 VanDerWaalsContact C-N 3.26Å; E122-D124 PolarHBondContact O-N 2.67Å
123N64.9Low80.2Confident50 Ų5088.2 Ų88.227%0.26743%0.433SS..  trans-84.765.1179.7-76.2-14000111.3A88 T121 E125 I128A88-N123 PolarHBondContact O-ND2 3.27Å; T121-N123 VanDerWaalsContact C-N 3.3Å; T121-N123 PolarHBondContact O-N 3.1Å; N123-E125 PolarHBondContact O-N 3.31Å; N123-I128 HydrophobicContact CB-CD1 4.14Å
124D72.9Confident80.4Confident100 Ų10093.1 Ų93.154%0.53546%0.455SS..  trans-66.3126.1170.8-80.2-28000110E122 E126 L127 I128E122-D124 VanDerWaalsContact C-N 3.26Å; E122-D124 PolarHBondContact O-N 2.67Å; D124-E126 PolarHBondContact O-N 2.86Å; D124-E126 VanDerWaalsContact O-N 3.12Å; D124-L127 HydrophobicContact CB-CB 4.23Å; D124-L127 HydrophobicContact CB-CD1 4.01Å; D124-L127 HydrophobicContact CB-CG 3.95Å; D124-L127 WeakPolarHBondContact O-CB 3.43Å; D124-L127 PolarHBondContact O-N 2.89Å; D124-I128 PolarHBondContact O-N 2.86Å; D124-I128 VanDerWaalsContact O-N 3.07Å
125E79.1Confident80.6Confident112 Ų11294.4 Ų94.452%0.52346%0.457SS..Hα-helixtrans-54.9-35.3-178.9-66.5-171.5-177.600112.6I85 N123 I128 K129I85-E125 HydrophobicContact CG2-CG 3.94Å; N123-E125 PolarHBondContact O-N 3.31Å; E125-I128 PolarHBondContact O-N 3.33Å; E125-K129 WeakPolarHBondContact O-CB 3.48Å; E125-K129 VanDerWaalsContact O-CG 3.23Å; E125-K129 WeakPolarHBondContact O-CG 3.36Å; E125-K129 PolarHBondContact O-N 3.48Å; E125-K129 IonicContact OE2-NZ 3.98Å
126E82.6Confident80.7Confident151 Ų15188.2 Ų88.271%0.70643%0.433SS*.Hα-helixtrans-68.3-39177.7-70.7-166.4161.400112.5D124 K129 N130D124-E126 PolarHBondContact O-N 2.86Å; D124-E126 VanDerWaalsContact O-N 3.12Å; E126-K129 PolarHBondContact O-N 2.96Å; E126-N130 WeakPolarHBondContact O-CB 3.41Å; E126-N130 PolarHBondContact O-N 3.48Å; E126-N130 PolarHBondContact O-ND2 3.22Å
127L82.2Confident80.8Confident84 Ų8492.9 Ų92.944%0.4445%0.451SS..Hα-helixtrans-64.7-42.4175-67.9-179.4000110.7D124 K129 N130 H131D124-L127 HydrophobicContact CB-CB 4.23Å; D124-L127 HydrophobicContact CB-CD1 4.01Å; D124-L127 HydrophobicContact CB-CG 3.95Å; D124-L127 WeakPolarHBondContact O-CB 3.43Å; D124-L127 PolarHBondContact O-N 2.89Å; L127-K129 PolarHBondContact O-N 2.87Å; L127-N130 PolarHBondContact O-N 3.26Å; L127-H131 PolarHBondContact O-N 3Å
128I80.6Confident81Confident28 Ų2894.9 Ų94.914%0.14446%0.46CS..Hα-helixtrans-62.4-44.7176.2-62.8164.3000110.5I85 A88 N123 D124 E125 N130 H131 Y132I85-I128 HydrophobicContact CG1-CB 4.48Å; I85-I128 HydrophobicContact CG1-CG2 3.86Å; A88-I128 HydrophobicContact CB-CD1 3.58Å; N123-I128 HydrophobicContact CB-CD1 4.14Å; D124-I128 PolarHBondContact O-N 2.86Å; D124-I128 VanDerWaalsContact O-N 3.07Å; E125-I128 PolarHBondContact O-N 3.33Å; I128-N130 VanDerWaalsContact C-N 3.33Å; I128-N130 PolarHBondContact O-N 3.44Å; I128-H131 PolarHBondContact O-N 3.16Å; I128-Y132 WeakPolarHBondContact O-CB 3.32Å; I128-Y132 PolarHBondContact O-N 3.17Å
129K86Confident81.2Confident90 Ų9091.8 Ų91.839%0.39144%0.44SS..Hα-helixtrans-59.4-43.1175.7-75.5169.2-173.2162.70111.7L81 I85 E125 E126 L127 Y132 S133L81-K129 HydrophobicContact CD1-CG 4.47Å; L81-K129 HydrophobicContact CD2-CG 4.27Å; I85-K129 HydrophobicContact CD1-CG 4.16Å; E125-K129 WeakPolarHBondContact O-CB 3.48Å; E125-K129 VanDerWaalsContact O-CG 3.23Å; E125-K129 WeakPolarHBondContact O-CG 3.36Å; E125-K129 PolarHBondContact O-N 3.48Å; E125-K129 IonicContact OE2-NZ 3.98Å; E126-K129 PolarHBondContact O-N 2.96Å; L127-K129 PolarHBondContact O-N 2.87Å; K129-Y132 PolarHBondContact O-N 3.17Å; K129-S133 WeakPolarHBondContact O-CB 3.46Å; K129-S133 PolarHBondContact O-N 3.37Å
130N86.2Confident81.7Confident97 Ų9790.8 Ų90.852%0.51944%0.444SS..Hα-helixtrans-65.7-50.1179-72.4-23.9000111.5E126 L127 I128 Y132 S133 E134E126-N130 WeakPolarHBondContact O-CB 3.41Å; E126-N130 PolarHBondContact O-N 3.48Å; E126-N130 PolarHBondContact O-ND2 3.22Å; L127-N130 PolarHBondContact O-N 3.26Å; I128-N130 VanDerWaalsContact C-N 3.33Å; I128-N130 PolarHBondContact O-N 3.44Å; N130-Y132 VanDerWaalsContact C-N 3.32Å; N130-Y132 PolarHBondContact O-N 3.02Å; N130-S133 PolarHBondContact O-N 3Å; N130-S133 VanDerWaalsContact O-N 3.13Å; N130-S133 PolarHBondContact O-OG 3.5Å; N130-E134 PolarHBondContact O-N 3.36Å; N130-E134 VanDerWaalsContact O-N 3.09Å
131H84.7Confident82.5Confident129 Ų12992.1 Ų92.160%0.59745%0.451SS*.Hα-helixtrans-59.3-42.1175.5-71.7165000112L127 I128 S133 E134 Y135L127-H131 PolarHBondContact O-N 3Å; I128-H131 PolarHBondContact O-N 3.16Å; H131-S133 VanDerWaalsContact C-N 3.31Å; H131-S133 PolarHBondContact O-N 3.42Å; H131-E134 PolarHBondContact O-N 3.26Å; H131-Y135 WeakPolarHBondContact O-CB 3.38Å; H131-Y135 PolarHBondContact O-N 3.24Å
132Y86.1Confident83.8Confident48 Ų4886.5 Ų86.519%0.18842%0.416CS..Hα-helixtrans-61.2-40.4176-177.5-101.2000112L81 L84 I128 K129 N130 N136L81-Y132 HydrophobicContact CB-CD1 4.12Å; L81-Y132 HydrophobicContact CB-CE1 3.76Å; L81-Y132 HydrophobicContact CB-CE2 4.5Å; L81-Y132 HydrophobicContact CD1-CD1 3.7Å; L81-Y132 HydrophobicContact CD1-CD2 4.15Å; L81-Y132 HydrophobicContact CD1-CE1 4.24Å; L81-Y132 HydrophobicContact CD1-CG 3.64Å; L81-Y132 HydrophobicContact CD2-CD1 4.01Å; L81-Y132 HydrophobicContact CD2-CE1 4.23Å; L81-Y132 HydrophobicContact CG-CD1 4.16Å; L81-Y132 HydrophobicContact CG-CE1 4.29Å; L84-Y132 HydrophobicContact CD1-CD2 3.56Å; L84-Y132 HydrophobicContact CD1-CE2 3.48Å; L84-Y132 VanDerWaalsContact CD1-CE2 3.48Å; I128-Y132 WeakPolarHBondContact O-CB 3.32Å; I128-Y132 PolarHBondContact O-N 3.17Å; K129-Y132 PolarHBondContact O-N 3.17Å; N130-Y132 VanDerWaalsContact C-N 3.32Å; N130-Y132 PolarHBondContact O-N 3.02Å; Y132-N136 WeakPolarHBondContact CE1-ND2 3.38Å; Y132-N136 VanDerWaalsContact O-CB 3.29Å; Y132-N136 WeakPolarHBondContact O-CB 3.4Å; Y132-N136 PolarHBondContact O-N 2.85Å; Y132-N136 PolarHBondContact OH-ND2 3.16Å
133S86.8Confident85.1Confident50 Ų5081 Ų8135%0.3539%0.389SS..Hα-helixtrans-65.5-39.9178.3800000112.7K129 N130 H131 R137K129-S133 WeakPolarHBondContact O-CB 3.46Å; K129-S133 PolarHBondContact O-N 3.37Å; N130-S133 PolarHBondContact O-N 3Å; N130-S133 VanDerWaalsContact O-N 3.13Å; N130-S133 PolarHBondContact O-OG 3.5Å; H131-S133 VanDerWaalsContact C-N 3.31Å; H131-S133 PolarHBondContact O-N 3.42Å; S133-R137 WeakPolarHBondContact O-CG 3.32Å; S133-R137 PolarHBondContact O-N 3.26Å
134E85.8Confident86.4Confident118 Ų11888.2 Ų88.255%0.55141%0.413SS*.Hα-helixtrans-70.7-45.7177.6-175.3170.4-16700111.2N130 H131 N136 R137 Q138N130-E134 PolarHBondContact O-N 3.36Å; N130-E134 VanDerWaalsContact O-N 3.09Å; H131-E134 PolarHBondContact O-N 3.26Å; E134-N136 VanDerWaalsContact C-N 3.35Å; E134-N136 PolarHBondContact O-N 3.12Å; E134-R137 WeakPolarHBondContact O-CB 3.41Å; E134-R137 PolarHBondContact O-N 2.93Å; E134-Q138 PolarHBondContact O-N 3.25Å; E134-Q138 VanDerWaalsContact O-N 3.14Å
135Y86.1Confident87.3Confident113 Ų11385.3 Ų85.344%0.44340%0.397SS..Hα-helixtrans-56.8-48174.9-178.2-103.5000111.1H131 R137 Q138 M139H131-Y135 WeakPolarHBondContact O-CB 3.38Å; H131-Y135 PolarHBondContact O-N 3.24Å; Y135-R137 VanDerWaalsContact C-N 3.3Å; Y135-R137 PolarHBondContact O-N 3.01Å; Y135-Q138 PolarHBondContact O-N 3.31Å; Y135-M139 HydrophobicContact CD1-CE 3.94Å; Y135-M139 HydrophobicContact CD2-CE 4.28Å; Y135-M139 HydrophobicContact CE1-CE 3.12Å; Y135-M139 HydrophobicContact CE2-CE 3.52Å; Y135-M139 HydrophobicContact CG-CE 4.48Å; Y135-M139 WeakPolarHBondContact O-CB 3.37Å; Y135-M139 PolarHBondContact O-N 2.97Å; Y135-M139 WeakPolarHBondContact OH-CE 2.95Å
136N87.8Confident88Confident55 Ų5580.3 Ų80.329%0.29437%0.373SS..Hα-helixtrans-60-37.3178.2-86.1-4.2000113.2Y132 E134 M139 V140Y132-N136 WeakPolarHBondContact CE1-ND2 3.38Å; Y132-N136 VanDerWaalsContact O-CB 3.29Å; Y132-N136 WeakPolarHBondContact O-CB 3.4Å; Y132-N136 PolarHBondContact O-N 2.85Å; Y132-N136 PolarHBondContact OH-ND2 3.16Å; E134-N136 VanDerWaalsContact C-N 3.35Å; E134-N136 PolarHBondContact O-N 3.12Å; N136-M139 PolarHBondContact O-N 3.31Å; N136-V140 WeakPolarHBondContact O-CG2 3.23Å; N136-V140 PolarHBondContact O-N 3.37Å; N136-V140 VanDerWaalsContact O-N 3.13Å
137R89.4Confident88.3Confident184 Ų18477.2 Ų77.269%0.69437%0.368SS*.Hα-helixtrans-63.1-47.7175.7-72.9172.5-178.31753111.3S133 E134 Y135 M139S133-R137 WeakPolarHBondContact O-CG 3.32Å; S133-R137 PolarHBondContact O-N 3.26Å; E134-R137 WeakPolarHBondContact O-CB 3.41Å; E134-R137 PolarHBondContact O-N 2.93Å; Y135-R137 VanDerWaalsContact C-N 3.3Å; Y135-R137 PolarHBondContact O-N 3.01Å; R137-M139 VanDerWaalsContact C-N 3.32Å
138Q89.9Confident88.5Confident54 Ų5477.3 Ų77.325%0.25238%0.376SS..Hα-helixtrans-66.8-37.4176.9-63.4-58.4-28.400111.4R56 E134 Y135 V140 L141 L142R56-Q138 WeakPolarHBondContact O-CB 3.4Å; E134-Q138 PolarHBondContact O-N 3.25Å; E134-Q138 VanDerWaalsContact O-N 3.14Å; Y135-Q138 PolarHBondContact O-N 3.31Å; Q138-V140 VanDerWaalsContact C-N 3.35Å; Q138-V140 PolarHBondContact O-N 2.93Å; Q138-L141 WeakPolarHBondContact O-CA 3.39Å; Q138-L141 WeakPolarHBondContact O-CB 3.41Å; Q138-L141 PolarHBondContact O-N 3.2Å; Q138-L142 WeakPolarHBondContact O-CG 3.21Å; Q138-L142 PolarHBondContact O-N 3.14Å
139M87.8Confident88.9Confident20 Ų2076 Ų7610%0.09937%0.37CS..Hα-helixtrans-60.2-43.5-178.1-168.857.174.700112.2F76 Y135 N136 R137 L141 L142 K143F76-M139 HydrophobicContact CD1-CE 4.35Å; F76-M139 HydrophobicContact CD1-SD 3.24Å; F76-M139 WeakPolarHBondContact CD1-SD 3.47Å; F76-M139 HydrophobicContact CE1-SD 3.44Å; F76-M139 WeakPolarHBondContact CE1-SD 3.5Å; F76-M139 HydrophobicContact CG-SD 4.42Å; Y135-M139 HydrophobicContact CD1-CE 3.94Å; Y135-M139 HydrophobicContact CD2-CE 4.28Å; Y135-M139 HydrophobicContact CE1-CE 3.12Å; Y135-M139 HydrophobicContact CE2-CE 3.52Å; Y135-M139 HydrophobicContact CG-CE 4.48Å; Y135-M139 WeakPolarHBondContact O-CB 3.37Å; Y135-M139 PolarHBondContact O-N 2.97Å; Y135-M139 WeakPolarHBondContact OH-CE 2.95Å; N136-M139 PolarHBondContact O-N 3.31Å; R137-M139 VanDerWaalsContact C-N 3.32Å; M139-L141 VanDerWaalsContact C-N 3.26Å; M139-L141 PolarHBondContact O-N 3.09Å; M139-L142 PolarHBondContact O-N 3.48Å; M139-K143 HydrophobicContact CG-CD 4.26Å; M139-K143 HydrophobicContact CG-CG 4.46Å; M139-K143 WeakPolarHBondContact O-CB 3.17Å; M139-K143 VanDerWaalsContact O-CG 3.3Å; M139-K143 WeakPolarHBondContact O-CG 3.31Å; M139-K143 PolarHBondContact O-N 3.45Å
140V90.6Very high89.1Confident101 Ų10173 Ų7361%0.61236%0.361SS*.Hα-helixtrans-60.1-38.6175.6172.40000111.3N136 Q138 R144N136-V140 WeakPolarHBondContact O-CG2 3.23Å; N136-V140 PolarHBondContact O-N 3.37Å; N136-V140 VanDerWaalsContact O-N 3.13Å; Q138-V140 VanDerWaalsContact C-N 3.35Å; Q138-V140 PolarHBondContact O-N 2.93Å; V140-R144 PolarHBondContact O-N 2.75Å; V140-R144 VanDerWaalsContact O-N 3.15Å
141L92.4Very high89.4Confident59 Ų5970.7 Ų70.731%0.30935%0.347SS..Hα-helixtrans-69.8-44.6177.7-59.7174.5000111.4E58 Q138 M139 R144 I145E58-L141 HydrophobicContact CB-CB 4.45Å; E58-L141 HydrophobicContact CB-CD1 4.2Å; E58-L141 HydrophobicContact CG-CB 4.39Å; Q138-L141 WeakPolarHBondContact O-CA 3.39Å; Q138-L141 WeakPolarHBondContact O-CB 3.41Å; Q138-L141 PolarHBondContact O-N 3.2Å; M139-L141 VanDerWaalsContact C-N 3.26Å; M139-L141 PolarHBondContact O-N 3.09Å; L141-R144 WeakPolarHBondContact O-CB 3.5Å; L141-R144 PolarHBondContact O-N 3.03Å; L141-I145 WeakPolarHBondContact O-CG1 3.36Å; L141-I145 PolarHBondContact O-N 3.05Å
142L92.9Very high89.8Confident12 Ų1269.8 Ų69.86%0.06334%0.343CS..Hα-helixtrans-63.1-44.3177.4-67.4176.5000111.8P55 A61 F76 Q138 M139 R144 I145 Y146P55-L142 HydrophobicContact CG-CD2 4Å; P55-L142 VanDerWaalsContact O-CD1 3.31Å; P55-L142 WeakPolarHBondContact O-CD1 3.45Å; A61-L142 HydrophobicContact CB-CD2 3.51Å; F76-L142 HydrophobicContact CE1-CB 4.26Å; F76-L142 HydrophobicContact CZ-CB 4.47Å; Q138-L142 WeakPolarHBondContact O-CG 3.21Å; Q138-L142 PolarHBondContact O-N 3.14Å; M139-L142 PolarHBondContact O-N 3.48Å; L142-R144 PolarHBondContact O-N 3.27Å; L142-I145 PolarHBondContact O-N 3.06Å; L142-I145 VanDerWaalsContact O-N 3.16Å; L142-Y146 HydrophobicContact CD2-CE2 4.33Å; L142-Y146 WeakPolarHBondContact O-CD2 3.38Å; L142-Y146 PolarHBondContact O-N 2.85Å
143K92.3Very high90.1Very high46 Ų4668.9 Ų68.920%0.234%0.34CS..Hα-helixtrans-57.3-37.7173.6-76.5177.4173.5-1660111.7F76 M139 S147 E152F76-K143 HydrophobicContact CD1-CG 4Å; F76-K143 HydrophobicContact CD2-CG 4.12Å; F76-K143 HydrophobicContact CE1-CG 3.88Å; F76-K143 HydrophobicContact CE2-CG 4.03Å; F76-K143 HydrophobicContact CG-CG 4.09Å; F76-K143 HydrophobicContact CZ-CG 3.89Å; M139-K143 HydrophobicContact CG-CD 4.26Å; M139-K143 HydrophobicContact CG-CG 4.46Å; M139-K143 WeakPolarHBondContact O-CB 3.17Å; M139-K143 VanDerWaalsContact O-CG 3.3Å; M139-K143 WeakPolarHBondContact O-CG 3.31Å; M139-K143 PolarHBondContact O-N 3.45Å; K143-S147 VanDerWaalsContact O-CA 3.23Å; K143-S147 WeakPolarHBondContact O-CA 3.3Å; K143-S147 WeakPolarHBondContact O-CB 3.26Å; K143-S147 PolarHBondContact O-N 2.99Å; K143-E152 WeakPolarHBondContact CD-OE1 3.44Å; K143-E152 VanDerWaalsContact CE-CD 3.48Å; K143-E152 WeakPolarHBondContact CE-OE1 3.37Å; K143-E152 IonicContact NZ-OE1 3.81Å; K143-E152 PolarHBondContact NZ-OE1 3.13Å; K143-E152 IonicContact NZ-OE2 3.35Å; K143-E152 PolarHBondContact NZ-OE2 3.37Å
144R92.5Very high90.3Very high202 Ų20270.8 Ų70.876%0.76235%0.347SS*.Hα-helixtrans-69.8-42.7175.7-174.4178.7178-178.10.4112.5V140 L141 L142 S147V140-R144 PolarHBondContact O-N 2.75Å; V140-R144 VanDerWaalsContact O-N 3.15Å; L141-R144 WeakPolarHBondContact O-CB 3.5Å; L141-R144 PolarHBondContact O-N 3.03Å; L142-R144 PolarHBondContact O-N 3.27Å; R144-S147 WeakPolarHBondContact O-CB 3.46Å; R144-S147 PolarHBondContact O-OG 3Å
145I92Very high90.5Very high38 Ų3865.7 Ų65.720%0.19532%0.324CS..Hα-helixtrans-63.5-46178.2-70.2174000110.5E58 A61 K62 I65 L141 L142 S147E58-I145 HydrophobicContact CB-CD1 4.48Å; E58-I145 HydrophobicContact CG-CD1 3.62Å; A61-I145 HydrophobicContact CB-CD1 3.82Å; A61-I145 HydrophobicContact CB-CG2 4.31Å; K62-I145 HydrophobicContact CG-CD1 4.34Å; I65-I145 HydrophobicContact CD1-CG2 3.35Å; L141-I145 WeakPolarHBondContact O-CG1 3.36Å; L141-I145 PolarHBondContact O-N 3.05Å; L142-I145 PolarHBondContact O-N 3.06Å; L142-I145 VanDerWaalsContact O-N 3.16Å; I145-S147 VanDerWaalsContact C-N 3.33Å; I145-S147 PolarHBondContact O-N 2.73Å
146Y92.3Very high90.6Very high8 Ų863.8 Ų63.83%0.03132%0.322CS..THydrogen-bonded Turntrans-94.321.1-177.2-64.1-63.9000113.1P55 A61 F70 P71 A74 L142 S148 V149 A150P55-Y146 HydrophobicContact CG-CE2 3.97Å; A61-Y146 HydrophobicContact CB-CE2 3.96Å; F70-Y146 HydrophobicContact CD2-CD1 4.16Å; F70-Y146 AromaticContact CD2-CE1 3.91Å; F70-Y146 HydrophobicContact CD2-CE1 3.91Å; F70-Y146 AromaticContact CE2-CD1 3.55Å; F70-Y146 HydrophobicContact CE2-CD1 3.55Å; F70-Y146 AromaticContact CE2-CE1 3.72Å; F70-Y146 HydrophobicContact CE2-CE1 3.72Å; F70-Y146 HydrophobicContact CZ-CD1 4.05Å; P71-Y146 HydrophobicContact CG-CD1 3.91Å; P71-Y146 HydrophobicContact CG-CE1 3.82Å; A74-Y146 HydrophobicContact CB-CG 4.21Å; L142-Y146 HydrophobicContact CD2-CE2 4.33Å; L142-Y146 WeakPolarHBondContact O-CD2 3.38Å; L142-Y146 PolarHBondContact O-N 2.85Å; Y146-S148 PolarHBondContact O-N 2.86Å; Y146-V149 HydrophobicContact CD1-CG2 4.19Å; Y146-V149 HydrophobicContact CG-CG2 4.45Å; Y146-V149 CarbonylContact O-C 3.54Å; Y146-V149 WeakPolarHBondContact O-CG2 3.4Å; Y146-V149 PolarHBondContact O-N 3.08Å; Y146-A150 VanDerWaalsContact O-CB 3.27Å; Y146-A150 WeakPolarHBondContact O-CB 3.46Å; Y146-A150 PolarHBondContact O-N 3.35Å
147S90.3Very high90.6Very high86 Ų8663.9 Ų63.960%0.60132%0.321SS*.THydrogen-bonded Turntrans-58.1-27.3-17167.70000114.1K143 R144 I145 V149K143-S147 VanDerWaalsContact O-CA 3.23Å; K143-S147 WeakPolarHBondContact O-CA 3.3Å; K143-S147 WeakPolarHBondContact O-CB 3.26Å; K143-S147 PolarHBondContact O-N 2.99Å; R144-S147 WeakPolarHBondContact O-CB 3.46Å; R144-S147 PolarHBondContact O-OG 3Å; I145-S147 VanDerWaalsContact C-N 3.33Å; I145-S147 PolarHBondContact O-N 2.73Å; S147-V149 VanDerWaalsContact C-N 3.25Å; S147-V149 PolarHBondContact O-N 2.79Å
148S85.4Confident90.4Very high86 Ų8659 Ų5960%0.60131%0.312SS*.THydrogen-bonded Turntrans-72.4-17.1176.952.70000113.7Y146Y146-S148 PolarHBondContact O-N 2.86Å
149V88.8Confident90.2Very high1 Ų161.2 Ų61.21%0.00633%0.325CS..THydrogen-bonded Turntrans-132.4-1.5-170.7-41.90000112.9F70 P71 A74 Y146 S147 R174F70-V149 HydrophobicContact CD1-CG1 4.37Å; F70-V149 HydrophobicContact CE1-CG1 3.4Å; F70-V149 HydrophobicContact CE1-CG2 4.33Å; F70-V149 HydrophobicContact CZ-CG1 3.89Å; F70-V149 HydrophobicContact CZ-CG2 4.29Å; P71-V149 HydrophobicContact CG-CG2 4.3Å; A74-V149 HydrophobicContact CB-CG2 3.76Å; A74-V149 PolarHBondContact N-O 2.74Å; Y146-V149 HydrophobicContact CD1-CG2 4.19Å; Y146-V149 HydrophobicContact CG-CG2 4.45Å; Y146-V149 CarbonylContact O-C 3.54Å; Y146-V149 WeakPolarHBondContact O-CG2 3.4Å; Y146-V149 PolarHBondContact O-N 3.08Å; S147-V149 VanDerWaalsContact C-N 3.25Å; S147-V149 PolarHBondContact O-N 2.79Å; V149-R174 VanDerWaalsContact CG1-CZ 3.49Å
150A91.5Very high90.2Very high26 Ų2664.5 Ų64.522%0.21534%0.343CS..EExtended strand (participates in β ladder)trans-73.8130.1-176.300000111.7A74 F76 Y146A74-A150 CarbonylContact O-C 3.42Å; A74-A150 WeakPolarHBondContact O-CA 3.41Å; F76-A150 HydrophobicContact CD2-CB 3.93Å; F76-A150 HydrophobicContact CE2-CB 3.5Å; Y146-A150 VanDerWaalsContact O-CB 3.27Å; Y146-A150 WeakPolarHBondContact O-CB 3.46Å; Y146-A150 PolarHBondContact O-N 3.35Å
151H91.7Very high90.2Very high49 Ų4963.5 Ų63.523%0.22733%0.334CS..EExtended strand (participates in β ladder)trans-132.3123.3172-64.9-32.6000110Y73 A74 I75 F76 F153 K169Y73-H151 AromaticContact CD1-CD2 3.84Å; Y73-H151 AromaticContact CD1-NE2 3.95Å; A74-H151 PolarHBondContact O-N 3.06Å; I75-H151 WeakPolarHBondContact CA-O 3.38Å; F76-H151 PolarHBondContact N-O 2.74Å; H151-F153 HydrophobicContact CB-CE2 3.73Å; H151-F153 HydrophobicContact CB-CZ 4.39Å; H151-K169 HydrophobicContact CB-CG 4.5Å; H151-K169 WeakPolarHBondContact CE1-CE 3.49Å; H151-K169 VanDerWaalsContact NE2-CE 3.26Å; H151-K169 WeakPolarHBondContact NE2-CE 3.1Å
152E92.4Very high90.2Very high109 Ų10961.8 Ų61.851%0.50933%0.325SS..EExtended strand (participates in β ladder)trans-97.3134.9-180-61.1-173.9-16800110.2F76 K143F76-E152 HydrophobicContact CB-CG 4.06Å; F76-E152 CarbonylContact O-C 3.56Å; F76-E152 WeakPolarHBondContact O-CA 3.45Å; K143-E152 WeakPolarHBondContact CD-OE1 3.44Å; K143-E152 VanDerWaalsContact CE-CD 3.48Å; K143-E152 WeakPolarHBondContact CE-OE1 3.37Å; K143-E152 IonicContact NZ-OE1 3.81Å; K143-E152 PolarHBondContact NZ-OE1 3.13Å; K143-E152 IonicContact NZ-OE2 3.35Å; K143-E152 PolarHBondContact NZ-OE2 3.37Å
153F93.2Very high90.1Very high30 Ų3063.1 Ų63.113%0.13233%0.33CS..EExtended strand (participates in β ladder)trans-128133.2176.1-66.5-92000109.7I75 F76 L77 D78 H151 A155 L162 S165 V166 K169I75-F153 HydrophobicContact CG2-CD2 3.84Å; I75-F153 HydrophobicContact CG2-CE2 4.1Å; F76-F153 PolarHBondContact O-N 3.07Å; L77-F153 HydrophobicContact CD2-CB 4.1Å; D78-F153 PolarHBondContact N-O 2.84Å; H151-F153 HydrophobicContact CB-CE2 3.73Å; H151-F153 HydrophobicContact CB-CZ 4.39Å; F153-A155 PolarHBondContact O-N 3.15Å; F153-L162 HydrophobicContact CB-CD1 3.62Å; F153-L162 HydrophobicContact CG-CD1 4.35Å; F153-S165 WeakPolarHBondContact CE1-O 3.49Å; F153-V166 HydrophobicContact CD1-CG2 3.99Å; F153-V166 HydrophobicContact CD2-CG2 3.86Å; F153-V166 HydrophobicContact CE1-CG2 4.13Å; F153-V166 HydrophobicContact CE2-CG2 3.98Å; F153-V166 HydrophobicContact CG-CG2 3.85Å; F153-V166 HydrophobicContact CZ-CG2 4.11Å; F153-K169 HydrophobicContact CE1-CB 4.28Å; F153-K169 HydrophobicContact CZ-CB 3.57Å; F153-K169 HydrophobicContact CZ-CG 3.86Å
154N91.5Very high89.9Confident90 Ų9066.2 Ų66.248%0.48135%0.345SS..EExtended strand (participates in β ladder)trans-65.2117.2169.9-175.912.2000109D78 D156 Q157D78-N154 CarbonylContact O-C 3.49Å; D78-N154 WeakPolarHBondContact O-CA 3.26Å; D78-N154 PolarHBondContact O-OD1 3.27Å; N154-D156 WeakPolarHBondContact OD1-CA 3.38Å; N154-D156 WeakPolarHBondContact OD1-CB 3.41Å; N154-D156 PolarHBondContact OD1-N 3Å; N154-Q157 WeakPolarHBondContact O-CG 3.35Å; N154-Q157 PolarHBondContact O-NE2 3.07Å
155A89.3Confident89.9Confident10 Ų1058.9 Ų58.98%0.08332%0.324CS..  trans-933.7175.100000112.3L77 D78 A79 R87 F153 Q157 L162L77-A155 HydrophobicContact CB-CB 4.09Å; D78-A155 PolarHBondContact O-N 3.36Å; A79-A155 HydrophobicContact CB-CB 4.23Å; R87-A155 VanDerWaalsContact CZ-O 3.31Å; R87-A155 PolarHBondContact NH1-O 3.16Å; R87-A155 PolarHBondContact NH2-O 2.99Å; F153-A155 PolarHBondContact O-N 3.15Å; A155-Q157 PolarHBondContact O-N 3.26Å; A155-Q157 VanDerWaalsContact O-N 3.13Å; A155-L162 HydrophobicContact CB-CD2 4.14Å
156D88.8Confident89.9Confident74 Ų7457.4 Ų57.440%0.39632%0.317SS..SBendtrans-82.350.4167.7-16524.1000111.9T83 N154T83-D156 VanDerWaalsContact CG2-OD1 3.24Å; T83-D156 WeakPolarHBondContact CG2-OD1 3.46Å; N154-D156 WeakPolarHBondContact OD1-CA 3.38Å; N154-D156 WeakPolarHBondContact OD1-CB 3.41Å; N154-D156 PolarHBondContact OD1-N 3Å
157Q87.2Confident89.7Confident57 Ų5757.9 Ų57.927%0.26632%0.32SS..SBendtrans-149.7165.117866.3-177.2-34.500109.8N154 A155 L162N154-Q157 WeakPolarHBondContact O-CG 3.35Å; N154-Q157 PolarHBondContact O-NE2 3.07Å; A155-Q157 PolarHBondContact O-N 3.26Å; A155-Q157 VanDerWaalsContact O-N 3.13Å; Q157-L162 HydrophobicContact CG-CB 4.05Å
158P86Confident89.5Confident80 Ų8056.2 Ų56.252%0.51931%0.311SS..  trans-54.9145.3175.7-25.135.3000112.5N160 D161 L162P158-N160 PolarHBondContact O-N 2.51Å; P158-N160 VanDerWaalsContact O-N 3.16Å; P158-D161 WeakPolarHBondContact CG-OD2 3.47Å; P158-D161 PolarHBondContact O-N 2.82Å; P158-D161 VanDerWaalsContact O-N 3.11Å; P158-L162 PolarHBondContact O-N 3.25Å; P158-L162 VanDerWaalsContact O-N 3.11Å
159I86.4Confident89.5Confident102 Ų10255.4 Ų55.452%0.52330%0.297SS..Hα-helixtrans-60.2-31.9-173.7-159.3167.6000113M1 Y163M1-I159 HydrophobicContact CE-CG2 4.15Å; I159-Y163 VanDerWaalsContact O-CB 3.23Å; I159-Y163 WeakPolarHBondContact O-CB 3.49Å; I159-Y163 PolarHBondContact O-N 2.91Å
160N87.7Confident89.2Confident89 Ų8956 Ų5648%0.47630%0.301SS..Hα-helixtrans-69.3-42.1178.2-74.2-15.6000111.8P158 Y163 H164P158-N160 PolarHBondContact O-N 2.51Å; P158-N160 VanDerWaalsContact O-N 3.16Å; N160-Y163 WeakPolarHBondContact O-CB 3.4Å; N160-Y163 PolarHBondContact O-N 3.27Å; N160-H164 PolarHBondContact O-CD2 2.66Å; N160-H164 PolarHBondContact O-N 2.95Å
161D89.5Confident88.6Confident80 Ų8058.6 Ų58.643%0.42831%0.311SS..Hα-helixtrans-67.4-40.8178.9-62.6-31.3000110.7P158 H164 S165P158-D161 WeakPolarHBondContact CG-OD2 3.47Å; P158-D161 PolarHBondContact O-N 2.82Å; P158-D161 VanDerWaalsContact O-N 3.11Å; D161-H164 PolarHBondContact O-N 3.02Å; D161-S165 WeakPolarHBondContact O-CB 3.36Å; D161-S165 PolarHBondContact O-N 3.5Å; D161-S165 PolarHBondContact O-OG 3.14Å
162L91.7Very high87.6Confident22 Ų2261.2 Ų61.212%0.11532%0.324CS..Hα-helixtrans-60.6-48171.9179.661.6000111.1L77 F153 A155 Q157 P158 H164 S165 V166L77-L162 HydrophobicContact CD1-CD2 4.33Å; L77-L162 HydrophobicContact CD2-CD1 3.88Å; L77-L162 HydrophobicContact CD2-CD2 4.03Å; L77-L162 HydrophobicContact CD2-CG 4.34Å; F153-L162 HydrophobicContact CB-CD1 3.62Å; F153-L162 HydrophobicContact CG-CD1 4.35Å; A155-L162 HydrophobicContact CB-CD2 4.14Å; Q157-L162 HydrophobicContact CG-CB 4.05Å; P158-L162 PolarHBondContact O-N 3.25Å; P158-L162 VanDerWaalsContact O-N 3.11Å; L162-H164 PolarHBondContact O-N 3.3Å; L162-S165 WeakPolarHBondContact O-CB 3.42Å; L162-S165 PolarHBondContact O-N 3.04Å; L162-V166 HydrophobicContact CD1-CG2 4.15Å; L162-V166 HydrophobicContact CG-CG2 4.49Å; L162-V166 WeakPolarHBondContact O-CG2 3.47Å; L162-V166 PolarHBondContact O-N 3.45Å
163Y91.2Very high85.7Confident41 Ų4157.7 Ų57.716%0.16131%0.31CS..Hα-helixtrans-58.1-46.7177.8165.3-105.7000112M1 L2 K5 I159 N160 S165 V166 L167M1-Y163 HydrophobicContact CB-CD2 3.54Å; M1-Y163 HydrophobicContact CB-CE2 3.57Å; M1-Y163 HydrophobicContact CB-CG 4.19Å; M1-Y163 HydrophobicContact SD-CD1 4.36Å; M1-Y163 HydrophobicContact SD-CD2 4.24Å; M1-Y163 HydrophobicContact SD-CG 3.95Å; L2-Y163 HydrophobicContact CD2-CD2 4.01Å; L2-Y163 HydrophobicContact CD2-CE2 3.77Å; L2-Y163 HydrophobicContact CG-CD2 4.1Å; L2-Y163 HydrophobicContact CG-CE2 4.06Å; K5-Y163 VanDerWaalsContact CB-OH 3.29Å; K5-Y163 WeakPolarHBondContact CB-OH 3.18Å; K5-Y163 WeakPolarHBondContact CG-OH 3.23Å; I159-Y163 VanDerWaalsContact O-CB 3.23Å; I159-Y163 WeakPolarHBondContact O-CB 3.49Å; I159-Y163 PolarHBondContact O-N 2.91Å; N160-Y163 WeakPolarHBondContact O-CB 3.4Å; N160-Y163 PolarHBondContact O-N 3.27Å; Y163-S165 VanDerWaalsContact C-N 3.34Å; Y163-S165 PolarHBondContact O-N 3.09Å; Y163-V166 PolarHBondContact O-N 2.96Å; Y163-L167 HydrophobicContact CE1-CD2 4.15Å; Y163-L167 WeakPolarHBondContact O-CB 3.26Å; Y163-L167 PolarHBondContact O-N 3.41Å
164H89.6Confident84Confident110 Ų11061.7 Ų61.751%0.50932%0.324SS..Hα-helixtrans-64.8-39.2178.2-75.4-58.3000112.2N160 D161 L162 L167 A168N160-H164 PolarHBondContact O-CD2 2.66Å; N160-H164 PolarHBondContact O-N 2.95Å; D161-H164 PolarHBondContact O-N 3.02Å; L162-H164 PolarHBondContact O-N 3.3Å; H164-L167 PolarHBondContact O-N 3.4Å; H164-A168 VanDerWaalsContact O-CB 3.24Å; H164-A168 WeakPolarHBondContact O-CB 3.26Å; H164-A168 PolarHBondContact O-N 3Å
165S91.5Very high82Confident48 Ų4868.3 Ų68.334%0.33634%0.343SS..Hα-helixtrans-62.4-47.7176.4-60.80000111.6F153 D161 L162 Y163 K169F153-S165 WeakPolarHBondContact CE1-O 3.49Å; D161-S165 WeakPolarHBondContact O-CB 3.36Å; D161-S165 PolarHBondContact O-N 3.5Å; D161-S165 PolarHBondContact O-OG 3.14Å; L162-S165 WeakPolarHBondContact O-CB 3.42Å; L162-S165 PolarHBondContact O-N 3.04Å; Y163-S165 VanDerWaalsContact C-N 3.34Å; Y163-S165 PolarHBondContact O-N 3.09Å; S165-K169 PolarHBondContact O-N 2.94Å; S165-K169 VanDerWaalsContact O-N 3.13Å
166V91.7Very high80Confident7 Ų771.1 Ų71.14%0.04236%0.362CS..Hα-helixtrans-65.6-46.3177.6174.60000110.7L2 I75 F153 L162 Y163 A168 K169 V170L2-V166 HydrophobicContact CD1-CG1 3.8Å; L2-V166 HydrophobicContact CD2-CG1 4.34Å; I75-V166 HydrophobicContact CD1-CG1 3.51Å; I75-V166 HydrophobicContact CG1-CG1 4.32Å; I75-V166 HydrophobicContact CG2-CG1 4.38Å; I75-V166 HydrophobicContact CG2-CG2 4.21Å; F153-V166 HydrophobicContact CD1-CG2 3.99Å; F153-V166 HydrophobicContact CD2-CG2 3.86Å; F153-V166 HydrophobicContact CE1-CG2 4.13Å; F153-V166 HydrophobicContact CE2-CG2 3.98Å; F153-V166 HydrophobicContact CG-CG2 3.85Å; F153-V166 HydrophobicContact CZ-CG2 4.11Å; L162-V166 HydrophobicContact CD1-CG2 4.15Å; L162-V166 HydrophobicContact CG-CG2 4.49Å; L162-V166 WeakPolarHBondContact O-CG2 3.47Å; L162-V166 PolarHBondContact O-N 3.45Å; Y163-V166 PolarHBondContact O-N 2.96Å; V166-A168 VanDerWaalsContact C-N 3.34Å; V166-A168 PolarHBondContact O-N 3.49Å; V166-K169 PolarHBondContact O-N 3.35Å; V166-K169 VanDerWaalsContact O-N 3.12Å; V166-V170 HydrophobicContact CG1-CG2 4.18Å; V166-V170 WeakPolarHBondContact O-CG2 3.33Å; V166-V170 PolarHBondContact O-N 3.08Å
167L88.6Confident77.8Confident18 Ų1874.7 Ų74.79%0.09439%0.386CS..Hα-helixtrans-60.7-43.1179.6-17868.1000111.5L2 K5 L6 Y163 H164 K169 V170 N171L2-L167 HydrophobicContact CD2-CB 4.28Å; L2-L167 HydrophobicContact CD2-CD1 4.11Å; K5-L167 HydrophobicContact CB-CD1 4.49Å; K5-L167 HydrophobicContact CG-CD1 3.94Å; K5-L167 HydrophobicContact CG-CD2 4.11Å; L6-L167 HydrophobicContact CD2-CD1 4.27Å; Y163-L167 HydrophobicContact CE1-CD2 4.15Å; Y163-L167 WeakPolarHBondContact O-CB 3.26Å; Y163-L167 PolarHBondContact O-N 3.41Å; H164-L167 PolarHBondContact O-N 3.4Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 2.91Å; L167-V170 PolarHBondContact O-N 3.05Å; L167-N171 VanDerWaalsContact O-CB 3.27Å; L167-N171 WeakPolarHBondContact O-CB 3.21Å; L167-N171 VanDerWaalsContact O-CG 3.27Å; L167-N171 PolarHBondContact O-N 3.45Å; L167-N171 PolarHBondContact O-ND2 2.87Å
168A85.5Confident75.9Confident51 Ų5175.2 Ų75.242%0.42140%0.4SS..Hα-helixtrans-60.2-41.8175.900000111.1H164 V166 N171 Q172H164-A168 VanDerWaalsContact O-CB 3.24Å; H164-A168 WeakPolarHBondContact O-CB 3.26Å; H164-A168 PolarHBondContact O-N 3Å; V166-A168 VanDerWaalsContact C-N 3.34Å; V166-A168 PolarHBondContact O-N 3.49Å; A168-N171 PolarHBondContact O-N 3.38Å; A168-Q172 WeakPolarHBondContact O-CG 3.47Å; A168-Q172 PolarHBondContact O-N 3.42Å
169K84.9Confident74.3Confident70 Ų7079.4 Ų79.430%0.30442%0.417SS..Hα-helixtrans-70.5-44.7179.9-170.963.4175.4179.60113H151 F153 S165 V166 L167 N171 Q172H151-K169 HydrophobicContact CB-CG 4.5Å; H151-K169 WeakPolarHBondContact CE1-CE 3.49Å; H151-K169 VanDerWaalsContact NE2-CE 3.26Å; H151-K169 WeakPolarHBondContact NE2-CE 3.1Å; F153-K169 HydrophobicContact CE1-CB 4.28Å; F153-K169 HydrophobicContact CZ-CB 3.57Å; F153-K169 HydrophobicContact CZ-CG 3.86Å; S165-K169 PolarHBondContact O-N 2.94Å; S165-K169 VanDerWaalsContact O-N 3.13Å; V166-K169 PolarHBondContact O-N 3.35Å; V166-K169 VanDerWaalsContact O-N 3.12Å; L167-K169 VanDerWaalsContact C-N 3.29Å; L167-K169 PolarHBondContact O-N 2.91Å; K169-N171 VanDerWaalsContact C-N 3.29Å; K169-N171 PolarHBondContact O-N 3.18Å; K169-Q172 WeakPolarHBondContact O-CB 3.37Å; K169-Q172 PolarHBondContact O-N 3Å
170V84.5Confident73.3Confident13 Ų1380.2 Ų80.28%0.07942%0.419CS..Hα-helixtrans-61.4-43.6175.9175.10000108.8L6 Y73 I75 V166 L167 Q172 R390L6-V170 HydrophobicContact CD1-CG1 4.09Å; Y73-V170 HydrophobicContact CD2-CG1 4.34Å; Y73-V170 HydrophobicContact CE2-CG1 4.3Å; Y73-V170 HydrophobicContact CG-CG2 4.45Å; Y73-V170 PolarHBondContact OH-O 2.89Å; Y73-V170 VanDerWaalsContact OH-O 3.07Å; I75-V170 HydrophobicContact CD1-CG2 3.89Å; V166-V170 HydrophobicContact CG1-CG2 4.18Å; V166-V170 WeakPolarHBondContact O-CG2 3.33Å; V166-V170 PolarHBondContact O-N 3.08Å; L167-V170 PolarHBondContact O-N 3.05Å; V170-Q172 PolarHBondContact O-N 3.21Å; V170-R390 PolarHBondContact O-NH2 3.39Å
171N77.8Confident72.9Confident81 Ų8177.9 Ų77.943%0.43341%0.408SS..Hα-helixtrans-66.9-17.7178.6-74.5-26000114.8L167 A168 K169 C173L167-N171 VanDerWaalsContact O-CB 3.27Å; L167-N171 WeakPolarHBondContact O-CB 3.21Å; L167-N171 VanDerWaalsContact O-CG 3.27Å; L167-N171 PolarHBondContact O-N 3.45Å; L167-N171 PolarHBondContact O-ND2 2.87Å; A168-N171 PolarHBondContact O-N 3.38Å; K169-N171 VanDerWaalsContact C-N 3.29Å; K169-N171 PolarHBondContact O-N 3.18Å; N171-C173 PolarHBondContact O-N 3.33Å
172Q70.4Confident72.8Confident104 Ų10476 Ų7649%0.48640%0.4SS..SBendtrans-70.6116171.4-73.91681200109.6Y73 A168 K169 V170 R174Y73-Q172 PolarHBondContact OH-O 2.97Å; A168-Q172 WeakPolarHBondContact O-CG 3.47Å; A168-Q172 PolarHBondContact O-N 3.42Å; K169-Q172 WeakPolarHBondContact O-CB 3.37Å; K169-Q172 PolarHBondContact O-N 3Å; V170-Q172 PolarHBondContact O-N 3.21Å; Q172-R174 PolarHBondContact O-N 2.58Å
173C53.7Low72.8Confident34 Ų3478.4 Ų78.423%0.2341%0.409CS..PPolyproline II helixtrans-51.5131.1168.7-98.70000110N171 R175 P387 L388 R390N171-C173 PolarHBondContact O-N 3.33Å; C173-R175 PolarHBondContact O-N 3.34Å; C173-P387 HydrophobicContact CB-CB 4.47Å; C173-L388 WeakPolarHBondContact CB-O 3.34Å; C173-L388 PolarHBondContact SG-O 3.45Å; C173-R390 WeakPolarHBondContact SG-CG 3.47Å
174R55.9Low72.9Confident114 Ų11476.5 Ų76.543%0.4340%0.402SS..PPolyproline II helixtrans-52.1131.6169.7-79.6-166.8-178.5-177.310.3108.4P71 D72 V149 Q172 S176P71-R174 PolarHBondContact O-NH2 3.37Å; P71-R174 VanDerWaalsContact O-NH2 3.15Å; D72-R174 VanDerWaalsContact O-CZ 3.23Å; D72-R174 PolarHBondContact O-NE 3.36Å; D72-R174 PolarHBondContact O-NH2 2.94Å; V149-R174 VanDerWaalsContact CG1-CZ 3.49Å; Q172-R174 PolarHBondContact O-N 2.58Å; R174-S176 PolarHBondContact O-N 2.89Å
175R51.1Low73.2Confident230 Ų23071.2 Ų71.287%0.86838%0.378SS*.  trans-6594.1164.4-72.6-174.5178174.4-0.7106.6C173 V177C173-R175 PolarHBondContact O-N 3.34Å; R175-V177 PolarHBondContact O-N 3.18Å
176S46.1Very low73.4Confident69 Ų6969 Ų6948%0.48336%0.362SS..  trans-58119165.7165.20000107.2R174 A178R174-S176 PolarHBondContact O-N 2.89Å; S176-A178 PolarHBondContact O-N 3.49Å; S176-A178 WeakPolarHBondContact OG-CA 3.46Å; S176-A178 VanDerWaalsContact OG-CB 3.26Å; S176-A178 WeakPolarHBondContact OG-CB 3.32Å; S176-A178 PolarHBondContact OG-N 2.7Å; S176-A178 VanDerWaalsContact OG-N 3.13Å; S176-A178 PolarHBondContact OG-O 3.03Å
177V43.3Very low73.6Confident148 Ų14869 Ų6990%0.89736%0.361SS*.SBendtrans-65.1-21.8169.8179.80000110R175 L179R175-V177 PolarHBondContact O-N 3.18Å; V177-L179 PolarHBondContact O-N 3.19Å
178A48.1Very low73.9Confident69 Ų6968.2 Ų68.257%0.5736%0.358SS*.SBendtrans-64.5110.5167.300000107.6S176 Q180S176-A178 PolarHBondContact O-N 3.49Å; S176-A178 WeakPolarHBondContact OG-CA 3.46Å; S176-A178 VanDerWaalsContact OG-CB 3.26Å; S176-A178 WeakPolarHBondContact OG-CB 3.32Å; S176-A178 PolarHBondContact OG-N 2.7Å; S176-A178 VanDerWaalsContact OG-N 3.13Å; S176-A178 PolarHBondContact OG-O 3.03Å; A178-Q180 VanDerWaalsContact C-N 3.27Å; A178-Q180 PolarHBondContact O-N 3.33Å
179L52.2Low74.3Confident168 Ų16866.4 Ų66.488%0.8834%0.341SS*.  trans-50.794.1169.2-79.6151.7000107.4V177 T181V177-L179 PolarHBondContact O-N 3.19Å; L179-T181 PolarHBondContact O-N 3.14Å
180Q63.6Low74.6Confident118 Ų11864.9 Ų64.955%0.55134%0.338SS*.  trans-65.9112.1168.8-77.6-143.54.900106.3A178 P182 L388A178-Q180 VanDerWaalsContact C-N 3.27Å; A178-Q180 PolarHBondContact O-N 3.33Å; Q180-P182 WeakPolarHBondContact O-CD 3.31Å; Q180-P182 VanDerWaalsContact O-N 3.15Å; Q180-L388 HydrophobicContact CB-CD1 4.42Å; Q180-L388 HydrophobicContact CG-CD1 4.33Å; Q180-L388 VanDerWaalsContact OE1-CD1 3.25Å
181T79.5Confident74.8Confident41 Ų4165 Ų6525%0.25234%0.342SS..  trans-54117.6175.751.30000108.3L179 K183 I259 T260L179-T181 PolarHBondContact O-N 3.14Å; T181-K183 PolarHBondContact O-N 2.98Å; T181-I259 WeakPolarHBondContact CG2-O 3.24Å; T181-T260 VanDerWaalsContact CG2-O 3.27Å; T181-T260 WeakPolarHBondContact CG2-O 3.39Å
182P87.4Confident75.5Confident39 Ų3961.3 Ų61.325%0.25332%0.322SS..  trans-63.7125.3-172.6-21.632.3000110.9Q180 I184 L207 G262 W263Q180-P182 WeakPolarHBondContact O-CD 3.31Å; Q180-P182 VanDerWaalsContact O-N 3.15Å; P182-I184 HydrophobicContact CB-CD1 4.1Å; P182-I184 HydrophobicContact CB-CG1 4.32Å; P182-L207 HydrophobicContact CB-CD1 4.27Å; P182-L207 HydrophobicContact CB-CD2 3.7Å; P182-L207 HydrophobicContact CG-CD2 3.7Å; P182-G262 CarbonylContact O-C 3.45Å; P182-G262 WeakPolarHBondContact O-CA 3.2Å; P182-W263 PolarHBondContact O-N 2.99Å
183K91.9Very high76.5Confident73 Ų7357.6 Ų57.632%0.31731%0.312SS..EExtended strand (participates in β ladder)trans-117.1100175.4-61.6179.2-173.4175.20108.3T181 W263 Y284 P285 T286 R287T181-K183 PolarHBondContact O-N 2.98Å; K183-W263 HydrophobicContact CB-CD2 4.04Å; K183-W263 HydrophobicContact CB-CE3 4.31Å; K183-W263 HydrophobicContact CB-CH2 3.82Å; K183-W263 HydrophobicContact CB-CZ2 3.51Å; K183-W263 HydrophobicContact CB-CZ3 4.2Å; K183-W263 HydrophobicContact CD-CZ2 3.87Å; K183-W263 HydrophobicContact CG-CD2 4.22Å; K183-W263 HydrophobicContact CG-CZ2 3.82Å; K183-Y284 WeakPolarHBondContact CD-O 3.46Å; K183-P285 CarbonylContact O-C 3.58Å; K183-P285 WeakPolarHBondContact O-CA 3.48Å; K183-T286 WeakPolarHBondContact CB-OG1 3.2Å; K183-T286 PolarHBondContact N-OG1 3.47Å; K183-T286 PolarHBondContact O-N 3.41Å; K183-R287 PolarHBondContact O-N 2.97Å
184I94.2Very high78.4Confident1 Ų156.9 Ų56.91%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-114.4133.8-167.7-57.5162.3000109.3P182 L186 L207 W263 I264 L265 R287 I289 I384P182-I184 HydrophobicContact CB-CD1 4.1Å; P182-I184 HydrophobicContact CB-CG1 4.32Å; I184-L186 HydrophobicContact CG2-CD2 4.06Å; I184-L186 HydrophobicContact CG2-CG 4.42Å; I184-L207 HydrophobicContact CD1-CD1 3.87Å; I184-W263 PolarHBondContact N-O 3.49Å; I184-W263 WeakPolarHBondContact O-CZ3 3.24Å; I184-I264 HydrophobicContact CB-CG1 4.32Å; I184-I264 HydrophobicContact CB-CG2 4.47Å; I184-I264 HydrophobicContact CD1-CG1 4.21Å; I184-I264 HydrophobicContact CG2-CG2 4.47Å; I184-I264 CarbonylContact O-C 3.41Å; I184-I264 WeakPolarHBondContact O-CA 3.47Å; I184-L265 PolarHBondContact O-N 3.28Å; I184-R287 CarbonylContact C-O 3.53Å; I184-R287 WeakPolarHBondContact CA-O 3.32Å; I184-R287 HydrophobicContact CG1-CB 4.12Å; I184-R287 HydrophobicContact CG2-CB 4.36Å; I184-I289 HydrophobicContact CG2-CD1 4.03Å; I184-I289 HydrophobicContact CG2-CG1 4.42Å; I184-I384 HydrophobicContact CD1-CD1 3.5Å; I184-I384 HydrophobicContact CD1-CG1 3.77Å
185I95.7Very high80.2Confident0 Ų054 Ų540%030%0.297CS..EExtended strand (participates in β ladder)trans-107.4126.2166.5-63-179.9000108.4L187 W263 L265 L278 P285 R287 V288 I289I185-L187 HydrophobicContact CG2-CD2 3.63Å; I185-L187 HydrophobicContact CG2-CG 3.91Å; I185-W263 HydrophobicContact CG1-CH2 4.42Å; I185-W263 HydrophobicContact CG1-CZ3 4.02Å; I185-L265 HydrophobicContact CD1-CD2 4.46Å; I185-L265 HydrophobicContact CG1-CB 4.22Å; I185-L265 HydrophobicContact CG1-CD2 4.31Å; I185-L278 HydrophobicContact CD1-CD1 4.28Å; I185-P285 HydrophobicContact CD1-CB 3.8Å; I185-P285 HydrophobicContact CD1-CG 3.71Å; I185-P285 HydrophobicContact CG1-CB 3.81Å; I185-P285 HydrophobicContact CG1-CG 4.27Å; I185-R287 PolarHBondContact N-O 3.26Å; I185-V288 HydrophobicContact CB-CG1 4.48Å; I185-V288 HydrophobicContact CB-CG2 4.39Å; I185-I289 PolarHBondContact O-N 3.25Å
186L96.3Very high82.1Confident1 Ų146.2 Ų46.21%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-99.9112.3171.6-64.1-177.9000110.3I184 K194 Q197 A198 I264 L265 V266 I289I184-L186 HydrophobicContact CG2-CD2 4.06Å; I184-L186 HydrophobicContact CG2-CG 4.42Å; L186-K194 HydrophobicContact CB-CB 4.41Å; L186-K194 HydrophobicContact CB-CD 4.4Å; L186-K194 HydrophobicContact CB-CG 4.41Å; L186-K194 WeakPolarHBondContact CD1-O 3.44Å; L186-K194 WeakPolarHBondContact O-CD 3.34Å; L186-Q197 HydrophobicContact CD1-CB 4.48Å; L186-A198 HydrophobicContact CD1-CB 3.95Å; L186-I264 HydrophobicContact CD1-CG2 3.73Å; L186-I264 HydrophobicContact CG-CG2 3.82Å; L186-L265 PolarHBondContact N-O 2.63Å; L186-V266 HydrophobicContact CD1-CG2 4.33Å; L186-I289 HydrophobicContact CD2-CB 3.94Å; L186-I289 HydrophobicContact CD2-CD1 4.31Å; L186-I289 HydrophobicContact CD2-CG2 4.38Å
187L95.6Very high84.4Confident6 Ų643.1 Ų43.13%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-102.1158.3174.7-57.5179.8000110.4I185 V288 I289 L290 M291 I356 Y360I185-L187 HydrophobicContact CG2-CD2 3.63Å; I185-L187 HydrophobicContact CG2-CG 3.91Å; L187-V288 HydrophobicContact CD1-CG1 3.48Å; L187-V288 VanDerWaalsContact CD1-CG1 3.48Å; L187-V288 HydrophobicContact CG-CG1 4.06Å; L187-I289 PolarHBondContact N-O 3.47Å; L187-L290 HydrophobicContact CB-CD1 3.85Å; L187-M291 WeakPolarHBondContact O-CB 3.43Å; L187-M291 PolarHBondContact O-N 3.37Å; L187-I356 HydrophobicContact CD1-CG2 3.66Å; L187-I356 HydrophobicContact CD2-CG2 4.34Å; L187-Y360 HydrophobicContact CD1-CD2 4.5Å
188G94.7Very high86.9Confident3 Ų336.2 Ų36.23%0.03121%0.211CC..EExtended strand (participates in β ladder)trans142.8170.2177.100000112.5K194 F349G188-K194 PolarHBondContact O-NZ 3.36Å; G188-F349 WeakPolarHBondContact O-CE2 3.5Å
189Y94Very high89Confident13 Ų1337.5 Ų37.55%0.05121%0.208CC..  trans-57.1145.2-179.4-76.2-76.2000112.6G191 A192 K194 V293 Q295 A298 L346 F349 T350Y189-G191 PolarHBondContact O-N 3.27Å; Y189-A192 WeakPolarHBondContact O-CB 3.44Å; Y189-A192 PolarHBondContact O-N 3.31Å; Y189-K194 VanDerWaalsContact C-NZ 3.3Å; Y189-K194 PolarHBondContact O-NZ 2.93Å; Y189-V293 VanDerWaalsContact CD2-O 3.23Å; Y189-V293 WeakPolarHBondContact CD2-O 3.19Å; Y189-V293 WeakPolarHBondContact CE2-O 3.36Å; Y189-Q295 HydrophobicContact CE1-CG 4.49Å; Y189-A298 HydrophobicContact CG-CB 4.25Å; Y189-L346 HydrophobicContact CD1-CD2 3.8Å; Y189-L346 HydrophobicContact CG-CD2 4.39Å; Y189-F349 HydrophobicContact CD1-CB 4.2Å; Y189-F349 AromaticContact CD1-CD1 3.43Å; Y189-F349 HydrophobicContact CD1-CD1 3.43Å; Y189-F349 VanDerWaalsContact CD1-CD1 3.43Å; Y189-F349 HydrophobicContact CD1-CE1 4.22Å; Y189-F349 HydrophobicContact CD1-CG 4.17Å; Y189-F349 HydrophobicContact CD2-CD1 4.22Å; Y189-F349 HydrophobicContact CD2-CE1 4.21Å; Y189-F349 HydrophobicContact CE1-CB 4.43Å; Y189-F349 AromaticContact CE1-CD1 3.55Å; Y189-F349 HydrophobicContact CE1-CD1 3.55Å; Y189-F349 HydrophobicContact CE1-CE1 4.34Å; Y189-F349 HydrophobicContact CE1-CG 4.45Å; Y189-F349 HydrophobicContact CE2-CD1 4.32Å; Y189-F349 HydrophobicContact CE2-CE1 4.33Å; Y189-F349 AromaticContact CG-CD1 3.79Å; Y189-F349 HydrophobicContact CG-CD1 3.79Å; Y189-F349 HydrophobicContact CG-CE1 4.14Å; Y189-F349 AromaticContact CZ-CD1 3.99Å; Y189-T350 WeakPolarHBondContact CE1-OG1 3.43Å; Y189-T350 PolarHBondContact OH-OG1 3.25Å
190P91.1Very high91Very high37 Ų3732.1 Ų32.124%0.2418%0.18CC..THydrogen-bonded Turntrans-49.7127.5159.6-22.533.6000109.1L302 K345P190-L302 HydrophobicContact CB-CD1 4.05Å; P190-L302 WeakPolarHBondContact O-CD1 3.33Å; P190-K345 HydrophobicContact CG-CB 4.22Å
191G88.9Confident92.4Very high17 Ų1726.5 Ų26.518%0.17515%0.154CC..THydrogen-bonded Turntrans95.4-10.9-173.800000115.7Y189 G193 R301Y189-G191 PolarHBondContact O-N 3.27Å; G191-G193 PolarHBondContact O-N 3.5Å; G191-R301 WeakPolarHBondContact O-CD 3.38Å
192A93Very high93.1Very high2 Ų225.3 Ų25.32%0.01715%0.148CC..SBendtrans-67.5-4179.600000115.3Y189 M291 V293Y189-A192 WeakPolarHBondContact O-CB 3.44Å; Y189-A192 PolarHBondContact O-N 3.31Å; A192-M291 HydrophobicContact CB-CB 4.23Å; A192-M291 WeakPolarHBondContact O-CE 3.47Å; A192-V293 HydrophobicContact CB-CB 4.47Å; A192-V293 HydrophobicContact CB-CG2 3.84Å
193G90.7Very high93.4Very high26 Ų2632.5 Ų32.527%0.26818%0.175SC..SBendtrans89.411.9-179.300000115.5G191 H195 T196 Q197G191-G193 PolarHBondContact O-N 3.5Å; G193-H195 VanDerWaalsContact C-N 3.32Å; G193-H195 PolarHBondContact O-N 3.13Å; G193-T196 WeakPolarHBondContact O-CB 3.32Å; G193-T196 PolarHBondContact O-N 3.08Å; G193-Q197 PolarHBondContact O-N 3.45Å
194K94.2Very high93.4Very high19 Ų1934.6 Ų34.68%0.08319%0.185CC..Hα-helixtrans-49.7-46.2-179.6-62-174.6-68.2-77.20114.2L186 G188 Y189 Q197 A198 V266 M291L186-K194 HydrophobicContact CB-CB 4.41Å; L186-K194 HydrophobicContact CB-CD 4.4Å; L186-K194 HydrophobicContact CB-CG 4.41Å; L186-K194 WeakPolarHBondContact CD1-O 3.44Å; L186-K194 WeakPolarHBondContact O-CD 3.34Å; G188-K194 PolarHBondContact O-NZ 3.36Å; Y189-K194 VanDerWaalsContact C-NZ 3.3Å; Y189-K194 PolarHBondContact O-NZ 2.93Å; K194-Q197 PolarHBondContact O-N 2.94Å; K194-A198 VanDerWaalsContact O-CB 3.32Å; K194-A198 WeakPolarHBondContact O-CB 2.99Å; K194-A198 PolarHBondContact O-N 3.3Å; K194-V266 HydrophobicContact CB-CG1 3.81Å; K194-V266 HydrophobicContact CD-CG1 4.49Å; K194-M291 HydrophobicContact CB-SD 4.18Å; K194-M291 HydrophobicContact CG-SD 3.67Å
195H91.9Very high93.2Very high54 Ų5438.7 Ų38.725%0.2520%0.201CC..Hα-helixtrans-65.5-39.4179.1-67.590.1000112.5G193 A198 N199 D211G193-H195 VanDerWaalsContact C-N 3.32Å; G193-H195 PolarHBondContact O-N 3.13Å; H195-A198 PolarHBondContact O-N 2.89Å; H195-N199 WeakPolarHBondContact O-CB 3.26Å; H195-N199 VanDerWaalsContact O-CG 3.24Å; H195-N199 PolarHBondContact O-N 3.34Å; H195-N199 PolarHBondContact O-ND2 2.8Å; H195-D211 IonicContact CD2-OD2 3.54Å; H195-D211 PolarHBondContact CD2-OD2 2.88Å; H195-D211 IonicContact CE1-OD2 3.99Å; H195-D211 VanDerWaalsContact NE2-CG 3.31Å; H195-D211 IonicContact NE2-OD1 3.31Å; H195-D211 IonicContact NE2-OD2 2.67Å; H195-D211 PolarHBondContact NE2-OD2 3.05Å
196T91.5Very high93Very high66 Ų6640.7 Ų40.741%0.40522%0.221SC..Hα-helixtrans-61.6-49.9176.7-51.30000109.8G193 A198 N199 L200 I373G193-T196 WeakPolarHBondContact O-CB 3.32Å; G193-T196 PolarHBondContact O-N 3.08Å; T196-A198 PolarHBondContact O-N 2.92Å; T196-N199 PolarHBondContact O-N 3.18Å; T196-L200 HydrophobicContact CG2-CD1 4.48Å; T196-L200 WeakPolarHBondContact O-CG 3.45Å; T196-L200 PolarHBondContact O-N 2.89Å; T196-I373 HydrophobicContact CG2-CD1 4.46Å; T196-I373 HydrophobicContact CG2-CG2 4.03Å
197Q94.7Very high92.8Very high5 Ų540.9 Ų40.92%0.02322%0.222CC..Hα-helixtrans-64.1-41.4178.6-64.1-59.5-20.800112.5L186 G193 K194 N199 L200 L201 M291 I373 V376 Y377 I380L186-Q197 HydrophobicContact CD1-CB 4.48Å; G193-Q197 PolarHBondContact O-N 3.45Å; K194-Q197 PolarHBondContact O-N 2.94Å; Q197-N199 VanDerWaalsContact C-N 3.32Å; Q197-N199 PolarHBondContact O-N 2.83Å; Q197-L200 PolarHBondContact O-N 3.31Å; Q197-L201 WeakPolarHBondContact O-CG 3.27Å; Q197-L201 PolarHBondContact O-N 2.91Å; Q197-M291 HydrophobicContact CB-CE 4.48Å; Q197-M291 HydrophobicContact CG-CE 3.61Å; Q197-M291 HydrophobicContact CG-SD 4.24Å; Q197-I373 PolarHBondContact NE2-O 3.46Å; Q197-V376 HydrophobicContact CG-CG1 4.26Å; Q197-Y377 VanDerWaalsContact OE1-CA 3.27Å; Q197-Y377 VanDerWaalsContact OE1-CB 3.31Å; Q197-I380 HydrophobicContact CB-CD1 3.83Å; Q197-I380 HydrophobicContact CG-CD1 3.7Å
198A95.4Very high92.9Very high2 Ų242 Ų422%0.01723%0.228CC..Hα-helixtrans-59.5-41.7175.200000112.4L186 K194 H195 T196 L201 A202 P209 I264 V266L186-A198 HydrophobicContact CD1-CB 3.95Å; K194-A198 VanDerWaalsContact O-CB 3.32Å; K194-A198 WeakPolarHBondContact O-CB 2.99Å; K194-A198 PolarHBondContact O-N 3.3Å; H195-A198 PolarHBondContact O-N 2.89Å; T196-A198 PolarHBondContact O-N 2.92Å; A198-L201 PolarHBondContact O-N 3.04Å; A198-A202 VanDerWaalsContact O-CB 3.23Å; A198-A202 WeakPolarHBondContact O-CB 3.38Å; A198-A202 PolarHBondContact O-N 2.94Å; A198-P209 HydrophobicContact CB-CB 4.45Å; A198-I264 HydrophobicContact CB-CB 4.5Å; A198-I264 HydrophobicContact CB-CG2 3.86Å; A198-I264 WeakPolarHBondContact O-CD1 2.9Å; A198-V266 HydrophobicContact CB-CG2 3.62Å
199N93Very high92.9Very high97 Ų9744.6 Ų44.652%0.51924%0.244SC..Hα-helixtrans-68.3-38.4177.9-72.3-14.4000112.3H195 T196 Q197 A202 K203H195-N199 WeakPolarHBondContact O-CB 3.26Å; H195-N199 VanDerWaalsContact O-CG 3.24Å; H195-N199 PolarHBondContact O-N 3.34Å; H195-N199 PolarHBondContact O-ND2 2.8Å; T196-N199 PolarHBondContact O-N 3.18Å; Q197-N199 VanDerWaalsContact C-N 3.32Å; Q197-N199 PolarHBondContact O-N 2.83Å; N199-A202 PolarHBondContact O-N 2.75Å; N199-K203 WeakPolarHBondContact O-CB 3.47Å; N199-K203 PolarHBondContact O-N 2.98Å
200L93.7Very high93Very high54 Ų5444.1 Ų44.128%0.28324%0.243SC..Hα-helixtrans-64.3-43.8175.5-68.9173.2000111.5T196 Q197 K203 K204 I373 Y377T196-L200 HydrophobicContact CG2-CD1 4.48Å; T196-L200 WeakPolarHBondContact O-CG 3.45Å; T196-L200 PolarHBondContact O-N 2.89Å; Q197-L200 PolarHBondContact O-N 3.31Å; L200-K203 PolarHBondContact O-N 3.4Å; L200-K204 PolarHBondContact O-N 3.35Å; L200-K204 VanDerWaalsContact O-N 3.09Å; L200-I373 HydrophobicContact CD1-CG2 3.68Å; L200-Y377 HydrophobicContact CB-CD2 3.6Å; L200-Y377 HydrophobicContact CB-CE2 3.47Å; L200-Y377 VanDerWaalsContact CB-CE2 3.47Å; L200-Y377 HydrophobicContact CD1-CD2 3.97Å; L200-Y377 HydrophobicContact CD1-CG 4.34Å; L200-Y377 HydrophobicContact CG-CD2 4.43Å
201L93.6Very high93.2Very high0 Ų043.8 Ų43.80%024%0.239CC..Hα-helixtrans-64.8-44.9175.4-72.2175.2000111.8Q197 A198 K203 K204 Y205 L207 I264 Y377 I380 I384Q197-L201 WeakPolarHBondContact O-CG 3.27Å; Q197-L201 PolarHBondContact O-N 2.91Å; A198-L201 PolarHBondContact O-N 3.04Å; L201-K203 VanDerWaalsContact C-N 3.28Å; L201-K203 PolarHBondContact O-N 2.92Å; L201-K204 PolarHBondContact O-N 3.28Å; L201-Y205 HydrophobicContact CD2-CD2 4.03Å; L201-Y205 HydrophobicContact CD2-CE2 4.04Å; L201-Y205 WeakPolarHBondContact O-CB 3.49Å; L201-Y205 PolarHBondContact O-N 3.15Å; L201-L207 HydrophobicContact CB-CD1 4.44Å; L201-I264 HydrophobicContact CB-CD1 3.44Å; L201-I264 VanDerWaalsContact CB-CD1 3.44Å; L201-I264 HydrophobicContact CD1-CD1 3.98Å; L201-I264 HydrophobicContact CG-CD1 4.41Å; L201-Y377 HydrophobicContact CD2-CD2 4.46Å; L201-Y377 HydrophobicContact CD2-CE2 3.74Å; L201-Y377 HydrophobicContact CG-CE2 4.05Å; L201-I380 HydrophobicContact CD1-CG2 3.77Å; L201-I380 HydrophobicContact CD2-CG2 4.3Å; L201-I380 HydrophobicContact CG-CG2 4.41Å; L201-I384 HydrophobicContact CD1-CD1 3.75Å; L201-I384 HydrophobicContact CD2-CD1 3.45Å; L201-I384 VanDerWaalsContact CD2-CD1 3.45Å; L201-I384 HydrophobicContact CG-CD1 4.24Å
202A93.6Very high93.4Very high17 Ų1743.3 Ų43.314%0.1423%0.233CC..Hα-helixtrans-56.7-43.1175.200000111.7A198 N199 G206 L207 P209A198-A202 VanDerWaalsContact O-CB 3.23Å; A198-A202 WeakPolarHBondContact O-CB 3.38Å; A198-A202 PolarHBondContact O-N 2.94Å; N199-A202 PolarHBondContact O-N 2.75Å; A202-G206 WeakPolarHBondContact O-CA 3.36Å; A202-G206 PolarHBondContact O-N 3.25Å; A202-L207 WeakPolarHBondContact CA-O 3.35Å; A202-L207 WeakPolarHBondContact CB-O 3.46Å; A202-L207 PolarHBondContact O-N 2.84Å; A202-P209 HydrophobicContact CB-CG 4.05Å
203K93.3Very high93.2Very high189 Ų18944.5 Ų44.582%0.82225%0.245SC*.Hα-helixtrans-67.3-40.5179.8-171.2177.9179.5-177.30113.2N199 L200 L201N199-K203 WeakPolarHBondContact O-CB 3.47Å; N199-K203 PolarHBondContact O-N 2.98Å; L200-K203 PolarHBondContact O-N 3.4Å; L201-K203 VanDerWaalsContact C-N 3.28Å; L201-K203 PolarHBondContact O-N 2.92Å
204K91.7Very high93.2Very high118 Ų11847.2 Ų47.251%0.51325%0.25SS..Hα-helixtrans-79.3-41.4-178.5-172.8174.7-177.5174.50112.8L200 L201 Y377 E381L200-K204 PolarHBondContact O-N 3.35Å; L200-K204 VanDerWaalsContact O-N 3.09Å; L201-K204 PolarHBondContact O-N 3.28Å; K204-Y377 VanDerWaalsContact CB-OH 3.23Å; K204-Y377 WeakPolarHBondContact CB-OH 3.35Å; K204-Y377 HydrophobicContact CD-CE1 4.32Å; K204-Y377 WeakPolarHBondContact CD-OH 3.39Å; K204-E381 VanDerWaalsContact CD-OE1 3.31Å; K204-E381 WeakPolarHBondContact CD-OE1 3.31Å; K204-E381 WeakPolarHBondContact CE-OE1 3.36Å; K204-E381 IonicContact NZ-OE1 2.77Å; K204-E381 PolarHBondContact NZ-OE1 3.35Å; K204-E381 IonicContact NZ-OE2 2.78Å; K204-E381 PolarHBondContact NZ-OE2 3.02Å
205Y90.1Very high93.2Very high87 Ų8746.9 Ų46.934%0.34125%0.249SC..Hα-helixtrans-105.5-3.6-170.7-67.4-74.9000114.3L201 L207 E381L201-Y205 HydrophobicContact CD2-CD2 4.03Å; L201-Y205 HydrophobicContact CD2-CE2 4.04Å; L201-Y205 WeakPolarHBondContact O-CB 3.49Å; L201-Y205 PolarHBondContact O-N 3.15Å; Y205-L207 PolarHBondContact O-N 3.22Å; Y205-E381 VanDerWaalsContact CE2-OE1 3.32Å; Y205-E381 WeakPolarHBondContact CE2-OE1 3.23Å; Y205-E381 VanDerWaalsContact CZ-OE1 3.26Å; Y205-E381 VanDerWaalsContact OH-CD 3.26Å; Y205-E381 WeakPolarHBondContact OH-CG 3.46Å; Y205-E381 PolarHBondContact OH-OE1 3.41Å
206G91.2Very high93.2Very high41 Ų4145.6 Ų45.642%0.42324%0.244SC..  trans70.416.5-176.300000113.9A202 Y261A202-G206 WeakPolarHBondContact O-CA 3.36Å; A202-G206 PolarHBondContact O-N 3.25Å; G206-Y261 WeakPolarHBondContact O-CB 3.27Å
207L93.8Very high93.2Very high5 Ų546.4 Ų46.43%0.02625%0.245CC..  trans-70.1150.9-179.2-62.9170.9000111.8P182 I184 L201 A202 Y205 P209 Y261 I264P182-L207 HydrophobicContact CB-CD1 4.27Å; P182-L207 HydrophobicContact CB-CD2 3.7Å; P182-L207 HydrophobicContact CG-CD2 3.7Å; I184-L207 HydrophobicContact CD1-CD1 3.87Å; L201-L207 HydrophobicContact CB-CD1 4.44Å; A202-L207 WeakPolarHBondContact CA-O 3.35Å; A202-L207 WeakPolarHBondContact CB-O 3.46Å; A202-L207 PolarHBondContact O-N 2.84Å; Y205-L207 PolarHBondContact O-N 3.22Å; L207-P209 VanDerWaalsContact O-CD 3.24Å; L207-P209 WeakPolarHBondContact O-CD 3.3Å; L207-Y261 VanDerWaalsContact CD2-O 3.26Å; L207-Y261 WeakPolarHBondContact CD2-O 3.37Å; L207-I264 HydrophobicContact CB-CD1 3.75Å; L207-I264 HydrophobicContact CB-CG1 3.98Å; L207-I264 HydrophobicContact CD1-CD1 3.77Å; L207-I264 HydrophobicContact CD1-CG1 3.88Å; L207-I264 HydrophobicContact CG-CD1 4.41Å
208I96.1Very high93.1Very high30 Ų3052.1 Ų52.115%0.15427%0.267CS..EExtended strand (participates in β ladder)trans-90.2110.7178.5-54.1-55.2000110.5V210 D257 Y261 G262 W263 I264I208-V210 HydrophobicContact CG2-CG2 4.14Å; I208-V210 PolarHBondContact O-N 2.84Å; I208-D257 HydrophobicContact CD1-CB 4.15Å; I208-D257 HydrophobicContact CG1-CB 4.14Å; I208-Y261 HydrophobicContact CD1-CD2 4.45Å; I208-G262 WeakPolarHBondContact CB-O 3.33Å; I208-G262 PolarHBondContact N-O 3.42Å; I208-G262 VanDerWaalsContact N-O 3.1Å; I208-W263 CarbonylContact O-C 3.57Å; I208-W263 VanDerWaalsContact O-CA 3.25Å; I208-W263 WeakPolarHBondContact O-CA 3.46Å; I208-I264 PolarHBondContact O-N 3.15Å
209P95.8Very high93Very high58 Ų5854.2 Ų54.238%0.37728%0.276SS..EExtended strand (participates in β ladder)trans-75.5120.4175.330.6-31.8000109.8A198 A202 L207A198-P209 HydrophobicContact CB-CB 4.45Å; A202-P209 HydrophobicContact CB-CG 4.05Å; L207-P209 VanDerWaalsContact O-CD 3.24Å; L207-P209 WeakPolarHBondContact O-CD 3.3Å
210V96.5Very high93Very high3 Ų351.1 Ų51.12%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-112.3103.3179.4-178.50000108.8I208 L215 R252 L253 W263 I264 L265 V266I208-V210 HydrophobicContact CG2-CG2 4.14Å; I208-V210 PolarHBondContact O-N 2.84Å; V210-L215 HydrophobicContact CG1-CD1 3.46Å; V210-L215 VanDerWaalsContact CG1-CD1 3.46Å; V210-L215 HydrophobicContact CG1-CG 4.24Å; V210-R252 HydrophobicContact CG1-CG 3.91Å; V210-R252 HydrophobicContact CG2-CG 4.13Å; V210-L253 HydrophobicContact CB-CD2 4.31Å; V210-L253 HydrophobicContact CG1-CD2 4.33Å; V210-L253 HydrophobicContact CG2-CD2 3.97Å; V210-W263 HydrophobicContact CG2-CB 4.35Å; V210-I264 PolarHBondContact N-O 2.84Å; V210-L265 HydrophobicContact CB-CD1 4.12Å; V210-L265 HydrophobicContact CG1-CD1 3.82Å; V210-L265 WeakPolarHBondContact O-CA 3.43Å; V210-V266 PolarHBondContact O-N 3.02Å
211D94.6Very high93Very high30 Ų3052 Ų5216%0.1628%0.275CS..EExtended strand (participates in β ladder)trans-96.3116.6172.6178.6-1.2000109.9H195 G213 Q214 L215H195-D211 IonicContact CD2-OD2 3.54Å; H195-D211 PolarHBondContact CD2-OD2 2.88Å; H195-D211 IonicContact CE1-OD2 3.99Å; H195-D211 VanDerWaalsContact NE2-CG 3.31Å; H195-D211 IonicContact NE2-OD1 3.31Å; H195-D211 IonicContact NE2-OD2 2.67Å; H195-D211 PolarHBondContact NE2-OD2 3.05Å; D211-G213 PolarHBondContact O-N 3.22Å; D211-G213 PolarHBondContact OD1-N 2.79Å; D211-Q214 HydrophobicContact CB-CB 4.02Å; D211-Q214 HydrophobicContact CB-CG 3.94Å; D211-Q214 PolarHBondContact O-N 3.34Å; D211-Q214 WeakPolarHBondContact OD2-CG 3.45Å; D211-L215 PolarHBondContact O-N 3.45Å
212C93Very high93Very high7 Ų756.8 Ų56.85%0.04730%0.3CS..Hα-helixtrans-57.1-37178.1177.80000112.5Q214 L215 I216 V245 V249 V266 Y268C212-Q214 PolarHBondContact O-N 2.88Å; C212-L215 PolarHBondContact O-N 3.32Å; C212-I216 WeakPolarHBondContact O-CG1 3.36Å; C212-I216 PolarHBondContact O-N 3.09Å; C212-I216 VanDerWaalsContact O-N 3.1Å; C212-V245 WeakPolarHBondContact SG-CG1 3.33Å; C212-V249 HydrophobicContact CB-CG2 4.38Å; C212-V266 PolarHBondContact N-O 2.85Å; C212-Y268 HydrophobicContact CB-CG 4.47Å
213G89.3Confident92.9Very high26 Ų2665.6 Ų65.627%0.26833%0.33SS..Hα-helixtrans-65.5-38.4176.300000112.8D211 L217D211-G213 PolarHBondContact O-N 3.22Å; D211-G213 PolarHBondContact OD1-N 2.79Å; G213-L217 WeakPolarHBondContact O-CG 3.28Å; G213-L217 PolarHBondContact O-N 2.87Å
214Q91Very high92.8Very high83 Ų8358 Ų5839%0.38830%0.301SS..Hα-helixtrans-72.6-35.3175.5-68.7-67-14.500111.9D211 C212 L217 R218D211-Q214 HydrophobicContact CB-CB 4.02Å; D211-Q214 HydrophobicContact CB-CG 3.94Å; D211-Q214 PolarHBondContact O-N 3.34Å; D211-Q214 WeakPolarHBondContact OD2-CG 3.45Å; C212-Q214 PolarHBondContact O-N 2.88Å; Q214-L217 PolarHBondContact O-N 3.06Å; Q214-R218 WeakPolarHBondContact O-CB 3.46Å; Q214-R218 PolarHBondContact O-N 2.82Å
215L93.5Very high92.8Very high12 Ų1256.9 Ų56.96%0.06331%0.307CS..Hα-helixtrans-59.8-47.1174.9-77.9174.5000111.8V210 D211 C212 L217 R218 E219 V248 V249 R252V210-L215 HydrophobicContact CG1-CD1 3.46Å; V210-L215 VanDerWaalsContact CG1-CD1 3.46Å; V210-L215 HydrophobicContact CG1-CG 4.24Å; D211-L215 PolarHBondContact O-N 3.45Å; C212-L215 PolarHBondContact O-N 3.32Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 PolarHBondContact O-N 3.22Å; L215-R218 PolarHBondContact O-N 3.2Å; L215-E219 WeakPolarHBondContact O-CG 3.48Å; L215-E219 PolarHBondContact O-N 3.18Å; L215-V248 HydrophobicContact CB-CG1 4.2Å; L215-V249 HydrophobicContact CD1-CG2 4.27Å; L215-R252 HydrophobicContact CD1-CB 3.96Å; L215-R252 HydrophobicContact CD1-CG 4.1Å; L215-R252 HydrophobicContact CD2-CB 3.9Å; L215-R252 HydrophobicContact CD2-CG 3.72Å; L215-R252 HydrophobicContact CG-CG 4.49Å
216I92.3Very high92.9Very high28 Ų2854.9 Ų54.914%0.14430%0.304CS..Hα-helixtrans-58.4-45.7176.8-66.4166.8000110.6C212 R218 E219 I220 M230 V234 V240 V245C212-I216 WeakPolarHBondContact O-CG1 3.36Å; C212-I216 PolarHBondContact O-N 3.09Å; C212-I216 VanDerWaalsContact O-N 3.1Å; I216-R218 PolarHBondContact O-N 3.09Å; I216-E219 PolarHBondContact O-N 3.47Å; I216-I220 HydrophobicContact CG2-CD1 3.86Å; I216-I220 WeakPolarHBondContact O-CD1 3.26Å; I216-I220 VanDerWaalsContact O-CG1 3.25Å; I216-I220 WeakPolarHBondContact O-CG1 3.33Å; I216-I220 PolarHBondContact O-N 3.31Å; I216-I220 VanDerWaalsContact O-N 3.08Å; I216-M230 HydrophobicContact CB-SD 4.24Å; I216-M230 HydrophobicContact CG1-CE 4.44Å; I216-M230 HydrophobicContact CG1-SD 3.99Å; I216-M230 HydrophobicContact CG2-CB 4.42Å; I216-M230 HydrophobicContact CG2-SD 3.95Å; I216-V234 HydrophobicContact CG2-CG2 3.97Å; I216-V240 HydrophobicContact CD1-CG2 4.5Å; I216-V245 HydrophobicContact CD1-CG2 4.41Å
217L91.1Very high93Very high82 Ų8252.9 Ų52.943%0.42928%0.284SS..Hα-helixtrans-64.6-38.8178.3-67.7174.2000112.4G213 Q214 L215 I220 A221G213-L217 WeakPolarHBondContact O-CG 3.28Å; G213-L217 PolarHBondContact O-N 2.87Å; Q214-L217 PolarHBondContact O-N 3.06Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 PolarHBondContact O-N 3.22Å; L217-I220 PolarHBondContact O-N 3.14Å; L217-A221 WeakPolarHBondContact O-CB 3.5Å; L217-A221 PolarHBondContact O-N 3.48Å
218R93.5Very high92.9Very high126 Ų12656.4 Ų56.448%0.47530%0.303SS..Hα-helixtrans-64.1-45.1176.9-176179.5-179.7-166.8-3.8111.4Q214 L215 I216 I220 A221 N222Q214-R218 WeakPolarHBondContact O-CB 3.46Å; Q214-R218 PolarHBondContact O-N 2.82Å; L215-R218 PolarHBondContact O-N 3.2Å; I216-R218 PolarHBondContact O-N 3.09Å; R218-I220 VanDerWaalsContact C-N 3.35Å; R218-I220 PolarHBondContact O-N 3Å; R218-A221 PolarHBondContact O-N 3.48Å; R218-N222 WeakPolarHBondContact O-CB 3.39Å; R218-N222 VanDerWaalsContact O-CG 3.23Å; R218-N222 PolarHBondContact O-N 2.93Å
219E92.9Very high92.8Very high45 Ų4559 Ų5921%0.2132%0.316CS..Hα-helixtrans-61.4-43.2176.4-73.1-55.3134.900111.9L215 I216 A221 N222 R223 S224 G227 V248L215-E219 WeakPolarHBondContact O-CG 3.48Å; L215-E219 PolarHBondContact O-N 3.18Å; I216-E219 PolarHBondContact O-N 3.47Å; E219-A221 PolarHBondContact O-N 3.35Å; E219-N222 PolarHBondContact O-N 3.31Å; E219-R223 PolarHBondContact O-N 3.31Å; E219-S224 PolarHBondContact O-N 3.03Å; E219-S224 PolarHBondContact O-OG 3.18Å; E219-S224 VanDerWaalsContact OE2-CB 3.25Å; E219-S224 WeakPolarHBondContact OE2-CB 3.44Å; E219-S224 PolarHBondContact OE2-OG 3.5Å; E219-G227 WeakPolarHBondContact O-CA 3.45Å; E219-V248 HydrophobicContact CG-CG1 3.88Å; E219-V248 HydrophobicContact CG-CG2 4.37Å
220I93.2Very high92.7Very high32 Ų3256.2 Ų56.216%0.16430%0.298CS..Hα-helixtrans-61.9-43.6175.1-66.9166000110.9I216 L217 R218 R223 G227 M230 K231 V234I216-I220 HydrophobicContact CG2-CD1 3.86Å; I216-I220 WeakPolarHBondContact O-CD1 3.26Å; I216-I220 VanDerWaalsContact O-CG1 3.25Å; I216-I220 WeakPolarHBondContact O-CG1 3.33Å; I216-I220 PolarHBondContact O-N 3.31Å; I216-I220 VanDerWaalsContact O-N 3.08Å; L217-I220 PolarHBondContact O-N 3.14Å; R218-I220 VanDerWaalsContact C-N 3.35Å; R218-I220 PolarHBondContact O-N 3Å; I220-R223 PolarHBondContact O-N 3.07Å; I220-G227 WeakPolarHBondContact CG1-O 3.44Å; I220-M230 HydrophobicContact CD1-CB 4.32Å; I220-M230 HydrophobicContact CG1-CB 4.14Å; I220-K231 HydrophobicContact CG1-CB 4.17Å; I220-K231 HydrophobicContact CG2-CB 4.05Å; I220-K231 HydrophobicContact CG2-CD 4.18Å; I220-K231 HydrophobicContact CG2-CG 3.99Å; I220-V234 HydrophobicContact CD1-CB 4.15Å; I220-V234 HydrophobicContact CD1-CG1 4.47Å; I220-V234 HydrophobicContact CD1-CG2 3.8Å
221A93.7Very high92.5Very high73 Ų7360.4 Ų60.460%0.60332%0.316SS*.Hα-helixtrans-65.2-39.7179.200000112.2L217 R218 E219 R223L217-A221 WeakPolarHBondContact O-CB 3.5Å; L217-A221 PolarHBondContact O-N 3.48Å; R218-A221 PolarHBondContact O-N 3.48Å; E219-A221 PolarHBondContact O-N 3.35Å; A221-R223 PolarHBondContact O-N 3.27Å
222N92.8Very high92.4Very high100 Ų10062.1 Ų62.154%0.53533%0.327SS..Hα-helixtrans-70.9-9.5177.1-71.6-11.7000113.5R218 E219 S224R218-N222 WeakPolarHBondContact O-CB 3.39Å; R218-N222 VanDerWaalsContact O-CG 3.23Å; R218-N222 PolarHBondContact O-N 2.93Å; E219-N222 PolarHBondContact O-N 3.31Å; N222-S224 PolarHBondContact O-N 3.34Å
223R91.5Very high92.5Very high202 Ų20265.4 Ų65.476%0.76234%0.339SS*.THydrogen-bonded Turntrans55.732.5-176.9-52.7-179.8-177.4-177.20.3113E219 I220 A221 N228E219-R223 PolarHBondContact O-N 3.31Å; I220-R223 PolarHBondContact O-N 3.07Å; A221-R223 PolarHBondContact O-N 3.27Å; R223-N228 PolarHBondContact O-ND2 3.19Å
224S90.7Very high92.4Very high30 Ų3067 Ų6721%0.2134%0.344CS..  trans-63.4162.5175.369.30000110.8E219 N222 V226 G227 N228E219-S224 PolarHBondContact O-N 3.03Å; E219-S224 PolarHBondContact O-OG 3.18Å; E219-S224 VanDerWaalsContact OE2-CB 3.25Å; E219-S224 WeakPolarHBondContact OE2-CB 3.44Å; E219-S224 PolarHBondContact OE2-OG 3.5Å; N222-S224 PolarHBondContact O-N 3.34Å; S224-V226 VanDerWaalsContact C-N 3.26Å; S224-V226 PolarHBondContact O-N 3.44Å; S224-G227 PolarHBondContact O-N 3.36Å; S224-G227 VanDerWaalsContact O-N 3.13Å; S224-G227 WeakPolarHBondContact OG-CA 3.34Å; S224-G227 PolarHBondContact OG-N 2.87Å; S224-N228 PolarHBondContact O-N 3.36Å; S224-N228 PolarHBondContact O-ND2 3.45Å; S224-N228 VanDerWaalsContact O-ND2 3.16Å
225S92.3Very high92.4Very high94 Ų9469.5 Ų69.566%0.65736%0.355SS*.Hα-helixtrans-54.5-46.9176.3520000111.1N228 I229S225-N228 PolarHBondContact O-N 3.28Å; S225-I229 WeakPolarHBondContact O-CG1 3.42Å; S225-I229 PolarHBondContact O-N 3.44Å
226V92.8Very high92.2Very high45 Ų4576 Ų7627%0.27338%0.383SS..Hα-helixtrans-66.5-42.1176-172.30000111.2S224 N228 I229 M230 I244 V248S224-V226 VanDerWaalsContact C-N 3.26Å; S224-V226 PolarHBondContact O-N 3.44Å; V226-N228 VanDerWaalsContact C-N 3.33Å; V226-N228 PolarHBondContact O-N 3.01Å; V226-I229 WeakPolarHBondContact O-CB 3.14Å; V226-I229 PolarHBondContact O-N 3.24Å; V226-I229 VanDerWaalsContact O-N 3.17Å; V226-M230 HydrophobicContact CG1-CE 3.79Å; V226-M230 HydrophobicContact CG1-CG 4.27Å; V226-M230 HydrophobicContact CG1-SD 4.32Å; V226-M230 WeakPolarHBondContact O-CG 3.36Å; V226-M230 PolarHBondContact O-N 3.45Å; V226-I244 HydrophobicContact CG1-CG2 3.43Å; V226-I244 VanDerWaalsContact CG1-CG2 3.43Å; V226-V248 HydrophobicContact CG1-CG2 3.73Å
227G91.9Very high91.9Very high0 Ų082.1 Ų82.10%042%0.416CS..Hα-helixtrans-59.1-39.7176.600000113.4E219 I220 S224 M230 K231E219-G227 WeakPolarHBondContact O-CA 3.45Å; I220-G227 WeakPolarHBondContact CG1-O 3.44Å; S224-G227 PolarHBondContact O-N 3.36Å; S224-G227 VanDerWaalsContact O-N 3.13Å; S224-G227 WeakPolarHBondContact OG-CA 3.34Å; S224-G227 PolarHBondContact OG-N 2.87Å; G227-M230 PolarHBondContact O-N 3.31Å; G227-K231 WeakPolarHBondContact O-CB 3.4Å; G227-K231 PolarHBondContact O-N 3.15Å
228N93.2Very high91.7Very high79 Ų7982.4 Ų82.442%0.42242%0.418SS..Hα-helixtrans-66.3-38.8176.3-69.4-38.2000111.9R223 S224 S225 V226 K231R223-N228 PolarHBondContact O-ND2 3.19Å; S224-N228 PolarHBondContact O-N 3.36Å; S224-N228 PolarHBondContact O-ND2 3.45Å; S224-N228 VanDerWaalsContact O-ND2 3.16Å; S225-N228 PolarHBondContact O-N 3.28Å; V226-N228 VanDerWaalsContact C-N 3.33Å; V226-N228 PolarHBondContact O-N 3.01Å; N228-K231 WeakPolarHBondContact O-CB 3.4Å
229I93Very high91.3Very high84 Ų8481 Ų8143%0.43143%0.425SS..Hα-helixtrans-64.1-52.5173.4-63.2167.2000109.4S225 V226 K231 T232 Y233 I244S225-I229 WeakPolarHBondContact O-CG1 3.42Å; S225-I229 PolarHBondContact O-N 3.44Å; V226-I229 WeakPolarHBondContact O-CB 3.14Å; V226-I229 PolarHBondContact O-N 3.24Å; V226-I229 VanDerWaalsContact O-N 3.17Å; I229-K231 VanDerWaalsContact C-N 3.25Å; I229-K231 PolarHBondContact O-N 3.32Å; I229-T232 PolarHBondContact O-N 3.09Å; I229-T232 VanDerWaalsContact O-N 3.08Å; I229-T232 PolarHBondContact O-OG1 2.67Å; I229-Y233 HydrophobicContact CG2-CD2 4.35Å; I229-Y233 HydrophobicContact CG2-CE2 3.86Å; I229-Y233 WeakPolarHBondContact O-CD2 3.26Å; I229-I244 HydrophobicContact CG2-CD1 4Å
230M93.1Very high91.2Very high0 Ų079.7 Ų79.70%042%0.419CS..Hα-helixtrans-57-38179.3-71.4-171.217300112.6I216 I220 V226 G227 T232 Y233 V234 V240 I244 V248I216-M230 HydrophobicContact CB-SD 4.24Å; I216-M230 HydrophobicContact CG1-CE 4.44Å; I216-M230 HydrophobicContact CG1-SD 3.99Å; I216-M230 HydrophobicContact CG2-CB 4.42Å; I216-M230 HydrophobicContact CG2-SD 3.95Å; I220-M230 HydrophobicContact CD1-CB 4.32Å; I220-M230 HydrophobicContact CG1-CB 4.14Å; V226-M230 HydrophobicContact CG1-CE 3.79Å; V226-M230 HydrophobicContact CG1-CG 4.27Å; V226-M230 HydrophobicContact CG1-SD 4.32Å; V226-M230 WeakPolarHBondContact O-CG 3.36Å; V226-M230 PolarHBondContact O-N 3.45Å; G227-M230 PolarHBondContact O-N 3.31Å; M230-T232 PolarHBondContact O-N 3.34Å; M230-Y233 PolarHBondContact O-N 2.81Å; M230-Y233 VanDerWaalsContact O-N 3.12Å; M230-V234 WeakPolarHBondContact O-CG2 3.27Å; M230-V234 PolarHBondContact O-N 3.38Å; M230-V240 HydrophobicContact CB-CG2 4.5Å; M230-V240 HydrophobicContact CE-CG1 4.17Å; M230-V240 HydrophobicContact CG-CG1 3.85Å; M230-V240 HydrophobicContact CG-CG2 4.44Å; M230-V240 HydrophobicContact SD-CG1 4.49Å; M230-I244 HydrophobicContact CE-CB 4.4Å; M230-I244 HydrophobicContact CE-CG2 3.47Å; M230-I244 VanDerWaalsContact CE-CG2 3.47Å; M230-I244 HydrophobicContact CG-CG2 4.2Å; M230-V248 HydrophobicContact CE-CB 4.09Å; M230-V248 HydrophobicContact CE-CG2 3.43Å; M230-V248 VanDerWaalsContact CE-CG2 3.43Å
231K93.3Very high91.2Very high91 Ų9180.4 Ų80.440%0.39643%0.426SS..Hα-helixtrans-54.6-39.6177.7-172.1178.9180-179.50111.9I220 G227 N228 I229 V234 Q235I220-K231 HydrophobicContact CG1-CB 4.17Å; I220-K231 HydrophobicContact CG2-CB 4.05Å; I220-K231 HydrophobicContact CG2-CD 4.18Å; I220-K231 HydrophobicContact CG2-CG 3.99Å; G227-K231 WeakPolarHBondContact O-CB 3.4Å; G227-K231 PolarHBondContact O-N 3.15Å; N228-K231 WeakPolarHBondContact O-CB 3.4Å; I229-K231 VanDerWaalsContact C-N 3.25Å; I229-K231 PolarHBondContact O-N 3.32Å; K231-V234 PolarHBondContact O-N 2.91Å; K231-Q235 HydrophobicContact CG-CG 4.32Å; K231-Q235 WeakPolarHBondContact O-CB 3.23Å; K231-Q235 VanDerWaalsContact O-CG 3.26Å; K231-Q235 WeakPolarHBondContact O-CG 3.36Å; K231-Q235 PolarHBondContact O-N 2.76Å
232T93.3Very high91.2Very high65 Ų6578.7 Ų78.740%0.39941%0.407SS..Hα-helixtrans-65.6-39.6179.767.50000112.6I229 M230 K236I229-T232 PolarHBondContact O-N 3.09Å; I229-T232 VanDerWaalsContact O-N 3.08Å; I229-T232 PolarHBondContact O-OG1 2.67Å; M230-T232 PolarHBondContact O-N 3.34Å; T232-K236 VanDerWaalsContact O-CG 3.28Å; T232-K236 WeakPolarHBondContact O-CG 3.38Å; T232-K236 PolarHBondContact O-N 2.99Å
233Y93.3Very high91.2Very high76 Ų7677 Ų7730%0.29841%0.406SS..Hα-helixtrans-69.7-45.6176.7-69.9-84.7000111.4I229 M230 Q235 K236 N237 I238 P241I229-Y233 HydrophobicContact CG2-CD2 4.35Å; I229-Y233 HydrophobicContact CG2-CE2 3.86Å; I229-Y233 WeakPolarHBondContact O-CD2 3.26Å; M230-Y233 PolarHBondContact O-N 2.81Å; M230-Y233 VanDerWaalsContact O-N 3.12Å; Y233-Q235 PolarHBondContact O-N 2.84Å; Y233-K236 CarbonylContact O-C 3.58Å; Y233-K236 PolarHBondContact O-N 3.25Å; Y233-K236 VanDerWaalsContact O-N 3.16Å; Y233-N237 PolarHBondContact O-N 3.4Å; Y233-I238 CarbonylContact C-O 3.56Å; Y233-I238 HydrophobicContact CD1-CB 4.46Å; Y233-I238 HydrophobicContact CD1-CG2 4.25Å; Y233-I238 PolarHBondContact O-N 3.12Å; Y233-P241 HydrophobicContact CE1-CG 3.95Å; Y233-P241 HydrophobicContact CE2-CG 4.27Å
234V88.5Confident91.3Very high59 Ų5969.1 Ų69.136%0.35838%0.379SS..Hα-helixtrans-62.4-43.8179.6173.80000111.2I216 I220 M230 K231 K236 N237 V240I216-V234 HydrophobicContact CG2-CG2 3.97Å; I220-V234 HydrophobicContact CD1-CB 4.15Å; I220-V234 HydrophobicContact CD1-CG1 4.47Å; I220-V234 HydrophobicContact CD1-CG2 3.8Å; M230-V234 WeakPolarHBondContact O-CG2 3.27Å; M230-V234 PolarHBondContact O-N 3.38Å; K231-V234 PolarHBondContact O-N 2.91Å; V234-K236 VanDerWaalsContact C-N 3.25Å; V234-K236 PolarHBondContact O-N 3.31Å; V234-N237 PolarHBondContact O-N 3.43Å; V234-N237 VanDerWaalsContact O-N 3.09Å; V234-V240 HydrophobicContact CG2-CG2 4.23Å
235Q89.9Confident91.5Very high136 Ų13668 Ų6864%0.63637%0.372SS*.Hα-helixtrans-63.8-30.5176.8-75.9179.7-31.300113.1K231 Y233 N237K231-Q235 HydrophobicContact CG-CG 4.32Å; K231-Q235 WeakPolarHBondContact O-CB 3.23Å; K231-Q235 VanDerWaalsContact O-CG 3.26Å; K231-Q235 WeakPolarHBondContact O-CG 3.36Å; K231-Q235 PolarHBondContact O-N 2.76Å; Y233-Q235 PolarHBondContact O-N 2.84Å; Q235-N237 VanDerWaalsContact C-N 3.29Å
236K90.7Very high91.6Very high149 Ų14963.6 Ų63.665%0.64834%0.341SS*.THydrogen-bonded Turntrans-83.60.3176.3-69.3176.7-178.9-178.70113.5T232 Y233 V234 I238T232-K236 VanDerWaalsContact O-CG 3.28Å; T232-K236 WeakPolarHBondContact O-CG 3.38Å; T232-K236 PolarHBondContact O-N 2.99Å; Y233-K236 CarbonylContact O-C 3.58Å; Y233-K236 PolarHBondContact O-N 3.25Å; Y233-K236 VanDerWaalsContact O-N 3.16Å; V234-K236 VanDerWaalsContact C-N 3.25Å; V234-K236 PolarHBondContact O-N 3.31Å; K236-I238 HydrophobicContact CB-CD1 3.79Å; K236-I238 HydrophobicContact CB-CG1 3.9Å; K236-I238 HydrophobicContact CD-CD1 4.21Å; K236-I238 PolarHBondContact O-N 3.13Å
237N84.4Confident91.6Very high157 Ų15766.6 Ų66.684%0.8435%0.351SS*.THydrogen-bonded Turntrans5629.1-171.4-68.5-49.1000113.9Y233 V234 Q235Y233-N237 PolarHBondContact O-N 3.4Å; V234-N237 PolarHBondContact O-N 3.43Å; V234-N237 VanDerWaalsContact O-N 3.09Å; Q235-N237 VanDerWaalsContact C-N 3.29Å
238I86.9Confident91.7Very high88 Ų8867.2 Ų67.245%0.45136%0.355SS..PPolyproline II helixtrans-101141.1177.8-58.4172.7000108.7Y233 K236 V240Y233-I238 CarbonylContact C-O 3.56Å; Y233-I238 HydrophobicContact CD1-CB 4.46Å; Y233-I238 HydrophobicContact CD1-CG2 4.25Å; Y233-I238 PolarHBondContact O-N 3.12Å; K236-I238 HydrophobicContact CB-CD1 3.79Å; K236-I238 HydrophobicContact CB-CG1 3.9Å; K236-I238 HydrophobicContact CD-CD1 4.21Å; K236-I238 PolarHBondContact O-N 3.13Å; I238-V240 PolarHBondContact O-N 2.99Å
239P85.6Confident91.8Very high97 Ų9763.5 Ų63.563%0.6334%0.335SS*.PPolyproline II helixtrans-55.7136172.4-21.832.1000111.5
240V91.1Very high91.9Very high16 Ų1662.3 Ų62.310%0.09733%0.327CS..PPolyproline II helixtrans-67.7136.6172.1-177.90000108.6I216 M230 V234 I238 I244 V245I216-V240 HydrophobicContact CD1-CG2 4.5Å; M230-V240 HydrophobicContact CB-CG2 4.5Å; M230-V240 HydrophobicContact CE-CG1 4.17Å; M230-V240 HydrophobicContact CG-CG1 3.85Å; M230-V240 HydrophobicContact CG-CG2 4.44Å; M230-V240 HydrophobicContact SD-CG1 4.49Å; V234-V240 HydrophobicContact CG2-CG2 4.23Å; I238-V240 PolarHBondContact O-N 2.99Å; V240-I244 HydrophobicContact CG1-CB 4.26Å; V240-I244 HydrophobicContact CG1-CG2 4.38Å; V240-V245 HydrophobicContact CB-CG2 3.75Å; V240-V245 HydrophobicContact CG1-CG2 3.64Å
241P93.4Very high91.9Very high47 Ų4766.5 Ų66.531%0.30535%0.349SS..PPolyproline II helixtrans-53.8137.6177.7-27.333.8000113.6Y233 A243 I244 V245Y233-P241 HydrophobicContact CE1-CG 3.95Å; Y233-P241 HydrophobicContact CE2-CG 4.27Å; P241-A243 VanDerWaalsContact C-N 3.32Å; P241-A243 PolarHBondContact O-N 3.46Å; P241-I244 HydrophobicContact CB-CD1 4.17Å; P241-I244 HydrophobicContact CB-CG1 4.25Å; P241-I244 HydrophobicContact CG-CD1 4.06Å; P241-I244 PolarHBondContact O-N 3.18Å; P241-I244 VanDerWaalsContact O-N 3.08Å; P241-V245 PolarHBondContact O-N 2.62Å
242D93.9Very high92Very high38 Ų3863.5 Ų63.520%0.20334%0.336CS..Hα-helixtrans-59-37.7-172.4-76.8-9.2000113.8I244 V245 S246 Q274 L277D242-I244 VanDerWaalsContact C-N 3.31Å; D242-I244 PolarHBondContact O-N 2.84Å; D242-V245 PolarHBondContact O-N 3.49Å; D242-S246 WeakPolarHBondContact O-CB 3.38Å; D242-S246 PolarHBondContact O-N 3.5Å; D242-S246 PolarHBondContact O-OG 3.15Å; D242-Q274 HydrophobicContact CB-CG 4.21Å; D242-Q274 PolarHBondContact OD1-NE2 2.93Å; D242-L277 HydrophobicContact CB-CD1 3.88Å
243A92.9Very high92.1Very high63 Ų6360.6 Ų60.652%0.52132%0.318SS..Hα-helixtrans-62.5-37.1178.300000112.8P241 S246 E247P241-A243 VanDerWaalsContact C-N 3.32Å; P241-A243 PolarHBondContact O-N 3.46Å; A243-S246 PolarHBondContact O-OG 3.38Å; A243-E247 WeakPolarHBondContact O-CB 3.2Å; A243-E247 PolarHBondContact O-N 3.48Å
244I93.3Very high92.1Very high37 Ų3761 Ų6119%0.1933%0.325CS..Hα-helixtrans-72-42.3178.2-54.9179.7000109.3V226 I229 M230 V240 P241 D242 E247 V248V226-I244 HydrophobicContact CG1-CG2 3.43Å; V226-I244 VanDerWaalsContact CG1-CG2 3.43Å; I229-I244 HydrophobicContact CG2-CD1 4Å; M230-I244 HydrophobicContact CE-CB 4.4Å; M230-I244 HydrophobicContact CE-CG2 3.47Å; M230-I244 VanDerWaalsContact CE-CG2 3.47Å; M230-I244 HydrophobicContact CG-CG2 4.2Å; V240-I244 HydrophobicContact CG1-CB 4.26Å; V240-I244 HydrophobicContact CG1-CG2 4.38Å; P241-I244 HydrophobicContact CB-CD1 4.17Å; P241-I244 HydrophobicContact CB-CG1 4.25Å; P241-I244 HydrophobicContact CG-CD1 4.06Å; P241-I244 PolarHBondContact O-N 3.18Å; P241-I244 VanDerWaalsContact O-N 3.08Å; D242-I244 VanDerWaalsContact C-N 3.31Å; D242-I244 PolarHBondContact O-N 2.84Å; I244-E247 PolarHBondContact O-N 2.62Å; I244-V248 PolarHBondContact O-N 3.31Å; I244-V248 VanDerWaalsContact O-N 3.17Å
245V94.3Very high92.3Very high8 Ų861.9 Ų61.95%0.04833%0.325CS..Hα-helixtrans-65.7-43178.6-179.10000111.1C212 I216 V240 P241 D242 E247 V248 V249 Y268C212-V245 WeakPolarHBondContact SG-CG1 3.33Å; I216-V245 HydrophobicContact CD1-CG2 4.41Å; V240-V245 HydrophobicContact CB-CG2 3.75Å; V240-V245 HydrophobicContact CG1-CG2 3.64Å; P241-V245 PolarHBondContact O-N 2.62Å; D242-V245 PolarHBondContact O-N 3.49Å; V245-E247 VanDerWaalsContact C-N 3.29Å; V245-E247 PolarHBondContact O-N 3.03Å; V245-V248 PolarHBondContact O-N 2.88Å; V245-V249 HydrophobicContact CG1-CG2 4.26Å; V245-V249 WeakPolarHBondContact O-CB 3.36Å; V245-V249 VanDerWaalsContact O-CG2 3.31Å; V245-V249 WeakPolarHBondContact O-CG2 3.43Å; V245-V249 PolarHBondContact O-N 2.85Å; V245-Y268 HydrophobicContact CB-CE2 4.35Å; V245-Y268 HydrophobicContact CG1-CD2 3.88Å; V245-Y268 HydrophobicContact CG1-CE2 3.57Å
246S94.5Very high92.4Very high1 Ų162 Ų621%0.00733%0.329CS..Hα-helixtrans-62.5-38179.969.70000111.6D242 A243 K250 Y268 H281D242-S246 WeakPolarHBondContact O-CB 3.38Å; D242-S246 PolarHBondContact O-N 3.5Å; D242-S246 PolarHBondContact O-OG 3.15Å; A243-S246 PolarHBondContact O-OG 3.38Å; S246-K250 WeakPolarHBondContact O-CB 3.38Å; S246-K250 PolarHBondContact O-N 2.94Å; S246-Y268 WeakPolarHBondContact CB-OH 3.36Å; S246-H281 PolarHBondContact OG-NE2 3.34Å
247E93.1Very high92.6Very high107 Ų10757 Ų5750%0.531%0.309SS..Hα-helixtrans-69-42.3178-168.9159-155.200112.2A243 I244 V245 K250 N251A243-E247 WeakPolarHBondContact O-CB 3.2Å; A243-E247 PolarHBondContact O-N 3.48Å; I244-E247 PolarHBondContact O-N 2.62Å; V245-E247 VanDerWaalsContact C-N 3.29Å; V245-E247 PolarHBondContact O-N 3.03Å; E247-K250 PolarHBondContact O-N 3.16Å; E247-N251 WeakPolarHBondContact O-CB 3.35Å; E247-N251 PolarHBondContact O-N 3.31Å; E247-N251 PolarHBondContact O-ND2 2.94Å; E247-N251 PolarHBondContact O-OD1 2.8Å
248V94.6Very high93Very high13 Ų1349.6 Ų49.68%0.07927%0.269CS..Hα-helixtrans-64-43.3174.5172.20000111.6L215 E219 V226 M230 I244 V245 N251 R252L215-V248 HydrophobicContact CB-CG1 4.2Å; E219-V248 HydrophobicContact CG-CG1 3.88Å; E219-V248 HydrophobicContact CG-CG2 4.37Å; V226-V248 HydrophobicContact CG1-CG2 3.73Å; M230-V248 HydrophobicContact CE-CB 4.09Å; M230-V248 HydrophobicContact CE-CG2 3.43Å; M230-V248 VanDerWaalsContact CE-CG2 3.43Å; I244-V248 PolarHBondContact O-N 3.31Å; I244-V248 VanDerWaalsContact O-N 3.17Å; V245-V248 PolarHBondContact O-N 2.88Å; V248-N251 PolarHBondContact O-N 3.33Å; V248-R252 PolarHBondContact O-N 3.18Å; V248-R252 VanDerWaalsContact O-N 3.08Å
249V95.9Very high93.1Very high1 Ų149.9 Ų49.91%0.00627%0.271CS..Hα-helixtrans-62.8-47.7176.3171.40000110.4C212 L215 V245 N251 R252 L253 L265 Y268 L278C212-V249 HydrophobicContact CB-CG2 4.38Å; L215-V249 HydrophobicContact CD1-CG2 4.27Å; V245-V249 HydrophobicContact CG1-CG2 4.26Å; V245-V249 WeakPolarHBondContact O-CB 3.36Å; V245-V249 VanDerWaalsContact O-CG2 3.31Å; V245-V249 WeakPolarHBondContact O-CG2 3.43Å; V245-V249 PolarHBondContact O-N 2.85Å; V249-N251 VanDerWaalsContact C-N 3.33Å; V249-N251 PolarHBondContact O-N 3.06Å; V249-R252 PolarHBondContact O-N 3.17Å; V249-L253 HydrophobicContact CG1-CD1 3.67Å; V249-L253 HydrophobicContact CG1-CG 4.21Å; V249-L253 VanDerWaalsContact O-CG 3.24Å; V249-L253 WeakPolarHBondContact O-CG 3.41Å; V249-L253 PolarHBondContact O-N 3.04Å; V249-L265 HydrophobicContact CG1-CD1 3.94Å; V249-L265 HydrophobicContact CG1-CD2 4.23Å; V249-Y268 HydrophobicContact CG1-CD1 4.3Å; V249-Y268 HydrophobicContact CG1-CE1 4.47Å; V249-Y268 HydrophobicContact CG2-CD1 4.45Å; V249-Y268 HydrophobicContact CG2-CG 4.39Å; V249-L278 HydrophobicContact CG1-CD2 4.11Å
250K94.6Very high93.1Very high60 Ų6049 Ų4926%0.26126%0.264SS..Hα-helixtrans-54.6-48.7175.9174.7-161.5178.5-172.70111.5S246 E247 R252 L253 N254 H281S246-K250 WeakPolarHBondContact O-CB 3.38Å; S246-K250 PolarHBondContact O-N 2.94Å; E247-K250 PolarHBondContact O-N 3.16Å; K250-R252 VanDerWaalsContact C-N 3.34Å; K250-R252 PolarHBondContact O-N 3.18Å; K250-L253 PolarHBondContact O-N 3.18Å; K250-N254 PolarHBondContact O-N 3.15Å; K250-N254 VanDerWaalsContact O-N 3.09Å; K250-N254 PolarHBondContact O-ND2 3.47Å; K250-N254 VanDerWaalsContact O-ND2 3.16Å; K250-H281 HydrophobicContact CB-CB 4.46Å; K250-H281 HydrophobicContact CD-CB 3.97Å; K250-H281 HydrophobicContact CG-CB 4.09Å
251N93.7Very high93Very high87 Ų8754.7 Ų54.747%0.46529%0.285SS..Hα-helixtrans-61.5-45.3-177.9-70.6-14.8000110.8E247 V248 V249 L253 N254 E255E247-N251 WeakPolarHBondContact O-CB 3.35Å; E247-N251 PolarHBondContact O-N 3.31Å; E247-N251 PolarHBondContact O-ND2 2.94Å; E247-N251 PolarHBondContact O-OD1 2.8Å; V248-N251 PolarHBondContact O-N 3.33Å; V249-N251 VanDerWaalsContact C-N 3.33Å; V249-N251 PolarHBondContact O-N 3.06Å; N251-L253 PolarHBondContact O-N 2.84Å; N251-N254 PolarHBondContact O-N 2.85Å; N251-E255 PolarHBondContact O-N 2.89Å
252R95.2Very high92.9Very high29 Ų2952.5 Ų52.511%0.10927%0.27CS..Hα-helixtrans-60.2-44.6176.1179.666.1-177.598.8-7.1112.4V210 L215 V248 V249 K250 N254 E255 D257 C258V210-R252 HydrophobicContact CG1-CG 3.91Å; V210-R252 HydrophobicContact CG2-CG 4.13Å; L215-R252 HydrophobicContact CD1-CB 3.96Å; L215-R252 HydrophobicContact CD1-CG 4.1Å; L215-R252 HydrophobicContact CD2-CB 3.9Å; L215-R252 HydrophobicContact CD2-CG 3.72Å; L215-R252 HydrophobicContact CG-CG 4.49Å; V248-R252 PolarHBondContact O-N 3.18Å; V248-R252 VanDerWaalsContact O-N 3.08Å; V249-R252 PolarHBondContact O-N 3.17Å; K250-R252 VanDerWaalsContact C-N 3.34Å; K250-R252 PolarHBondContact O-N 3.18Å; R252-N254 PolarHBondContact O-N 3.07Å; R252-E255 WeakPolarHBondContact CD-OE2 3.39Å; R252-E255 IonicContact CZ-OE2 3.56Å; R252-E255 IonicContact NE-OE2 2.66Å; R252-E255 IonicContact NH1-OE2 2.8Å; R252-E255 PolarHBondContact NH1-OE2 2.83Å; R252-E255 WeakPolarHBondContact O-CB 3.41Å; R252-E255 PolarHBondContact O-N 3.32Å; R252-D257 IonicContact CZ-OD1 2.66Å; R252-D257 IonicContact CZ-OD2 3.91Å; R252-D257 VanDerWaalsContact NH1-CG 3.34Å; R252-D257 IonicContact NH1-OD1 2.97Å; R252-D257 PolarHBondContact NH1-OD1 2.92Å; R252-D257 IonicContact NH1-OD2 3.53Å; R252-D257 PolarHBondContact NH1-OD2 3.26Å; R252-D257 IonicContact NH2-OD1 3.92Å; R252-D257 IonicContact NH2-OD2 2.85Å; R252-D257 PolarHBondContact NH2-OD2 3.39Å; R252-C258 PolarHBondContact NH1-SG 2.98Å
253L94.7Very high93Very high4 Ų451 Ų512%0.02126%0.261CS..Hα-helixtrans-69.7-17.9-177.2-66177.7000113.3V210 V249 K250 N251 C258 W263 L265 V283V210-L253 HydrophobicContact CB-CD2 4.31Å; V210-L253 HydrophobicContact CG1-CD2 4.33Å; V210-L253 HydrophobicContact CG2-CD2 3.97Å; V249-L253 HydrophobicContact CG1-CD1 3.67Å; V249-L253 HydrophobicContact CG1-CG 4.21Å; V249-L253 VanDerWaalsContact O-CG 3.24Å; V249-L253 WeakPolarHBondContact O-CG 3.41Å; V249-L253 PolarHBondContact O-N 3.04Å; K250-L253 PolarHBondContact O-N 3.18Å; N251-L253 PolarHBondContact O-N 2.84Å; L253-C258 WeakPolarHBondContact O-CB 3.44Å; L253-W263 HydrophobicContact CD1-CH2 4.47Å; L253-W263 HydrophobicContact CD1-CZ2 4.21Å; L253-W263 HydrophobicContact CD2-CB 3.97Å; L253-W263 HydrophobicContact CD2-CD2 3.56Å; L253-W263 HydrophobicContact CD2-CE3 4.05Å; L253-W263 HydrophobicContact CD2-CG 3.53Å; L253-L265 HydrophobicContact CD1-CD2 4.43Å; L253-V283 HydrophobicContact CD1-CG1 3.65Å
254N92.5Very high93.2Very high83 Ų8348 Ų4844%0.44424%0.237SC..THydrogen-bonded Turntrans-94.33.7174.8-71.7-34.6000113.5K250 N251 R252 I259K250-N254 PolarHBondContact O-N 3.15Å; K250-N254 VanDerWaalsContact O-N 3.09Å; K250-N254 PolarHBondContact O-ND2 3.47Å; K250-N254 VanDerWaalsContact O-ND2 3.16Å; N251-N254 PolarHBondContact O-N 2.85Å; R252-N254 PolarHBondContact O-N 3.07Å; N254-I259 WeakPolarHBondContact O-CD1 3.21Å
255E93.8Very high93.4Very high79 Ų7946.2 Ų46.237%0.36923%0.228SC..SBendtrans-69.2153.4170.6-69.9175.3-165.700110.8N251 R252 D257 C258 I259N251-E255 PolarHBondContact O-N 2.89Å; R252-E255 WeakPolarHBondContact CD-OE2 3.39Å; R252-E255 IonicContact CZ-OE2 3.56Å; R252-E255 IonicContact NE-OE2 2.66Å; R252-E255 IonicContact NH1-OE2 2.8Å; R252-E255 PolarHBondContact NH1-OE2 2.83Å; R252-E255 WeakPolarHBondContact O-CB 3.41Å; R252-E255 PolarHBondContact O-N 3.32Å; E255-D257 VanDerWaalsContact CB-OD1 3.27Å; E255-D257 WeakPolarHBondContact CB-OD1 3.3Å; E255-D257 PolarHBondContact O-N 3.4Å; E255-C258 PolarHBondContact O-N 3.47Å; E255-C258 VanDerWaalsContact O-N 3.14Å; E255-I259 WeakPolarHBondContact O-CG1 3.37Å; E255-I259 PolarHBondContact O-N 2.97Å
256I92.3Very high93.4Very high139 Ų13945.9 Ų45.971%0.71323%0.226SC*.Hα-helixtrans-59.1-36.6-170.7-63.4166.7000111.7I259 T260I256-I259 PolarHBondContact O-N 3.33Å; I256-T260 VanDerWaalsContact O-CB 3.24Å; I256-T260 WeakPolarHBondContact O-CB 3.49Å; I256-T260 PolarHBondContact O-N 3.09Å; I256-T260 PolarHBondContact O-OG1 2.91Å
257D93.8Very high93.2Very high44 Ų4446.4 Ų46.424%0.23523%0.231CC..Hα-helixtrans-64.6-47.4177.963.5-27.2000111.7I208 R252 E255 I259 T260 Y261I208-D257 HydrophobicContact CD1-CB 4.15Å; I208-D257 HydrophobicContact CG1-CB 4.14Å; R252-D257 IonicContact CZ-OD1 2.66Å; R252-D257 IonicContact CZ-OD2 3.91Å; R252-D257 VanDerWaalsContact NH1-CG 3.34Å; R252-D257 IonicContact NH1-OD1 2.97Å; R252-D257 PolarHBondContact NH1-OD1 2.92Å; R252-D257 IonicContact NH1-OD2 3.53Å; R252-D257 PolarHBondContact NH1-OD2 3.26Å; R252-D257 IonicContact NH2-OD1 3.92Å; R252-D257 IonicContact NH2-OD2 2.85Å; R252-D257 PolarHBondContact NH2-OD2 3.39Å; E255-D257 VanDerWaalsContact CB-OD1 3.27Å; E255-D257 WeakPolarHBondContact CB-OD1 3.3Å; E255-D257 PolarHBondContact O-N 3.4Å; D257-I259 VanDerWaalsContact C-N 3.32Å; D257-I259 PolarHBondContact O-N 3.11Å; D257-T260 PolarHBondContact O-N 3.23Å; D257-Y261 HydrophobicContact CB-CD2 4.37Å; D257-Y261 WeakPolarHBondContact O-CB 3.36Å; D257-Y261 WeakPolarHBondContact O-CD2 3.04Å; D257-Y261 PolarHBondContact O-N 3.18Å
258C93.1Very high93.3Very high0 Ų041.5 Ų41.50%021%0.208CC..Hα-helixtrans-63.7-36.8176.3-79.50000112.4R252 L253 E255 G262 W263R252-C258 PolarHBondContact NH1-SG 2.98Å; L253-C258 WeakPolarHBondContact O-CB 3.44Å; E255-C258 PolarHBondContact O-N 3.47Å; E255-C258 VanDerWaalsContact O-N 3.14Å; C258-G262 CarbonylContact O-C 3.56Å; C258-G262 WeakPolarHBondContact O-CA 3.36Å; C258-G262 PolarHBondContact O-N 3.07Å; C258-G262 VanDerWaalsContact O-N 3.08Å; C258-W263 HydrophobicContact CB-CB 4.41Å
259I88.7Confident93.3Very high94 Ų9441 Ų4148%0.48221%0.206SC..Hα-helixtrans-70.4-40.8176.9-66.6171.5000111T181 N254 E255 I256 D257T181-I259 WeakPolarHBondContact CG2-O 3.24Å; N254-I259 WeakPolarHBondContact O-CD1 3.21Å; E255-I259 WeakPolarHBondContact O-CG1 3.37Å; E255-I259 PolarHBondContact O-N 2.97Å; I256-I259 PolarHBondContact O-N 3.33Å; D257-I259 VanDerWaalsContact C-N 3.32Å; D257-I259 PolarHBondContact O-N 3.11Å
260T86.7Confident93.2Very high78 Ų7847.8 Ų47.848%0.47923%0.231SC..Hα-helixtrans-80.4-44.6-172.4-53.90000112.2T181 I256 D257T181-T260 VanDerWaalsContact CG2-O 3.27Å; T181-T260 WeakPolarHBondContact CG2-O 3.39Å; I256-T260 VanDerWaalsContact O-CB 3.24Å; I256-T260 WeakPolarHBondContact O-CB 3.49Å; I256-T260 PolarHBondContact O-N 3.09Å; I256-T260 PolarHBondContact O-OG1 2.91Å; D257-T260 PolarHBondContact O-N 3.23Å
261Y88.4Confident93.2Very high137 Ų13746.4 Ų46.454%0.53723%0.228SC..Hα-helixtrans-97.7-22.4-174.4-60-67.5000112.8G206 L207 I208 D257G206-Y261 WeakPolarHBondContact O-CB 3.27Å; L207-Y261 VanDerWaalsContact CD2-O 3.26Å; L207-Y261 WeakPolarHBondContact CD2-O 3.37Å; I208-Y261 HydrophobicContact CD1-CD2 4.45Å; D257-Y261 HydrophobicContact CB-CD2 4.37Å; D257-Y261 WeakPolarHBondContact O-CB 3.36Å; D257-Y261 WeakPolarHBondContact O-CD2 3.04Å; D257-Y261 PolarHBondContact O-N 3.18Å
262G92.2Very high93.2Very high0 Ų046 Ų460%022%0.22CC..  trans90.8176.7-167.400000112.2P182 I208 C258P182-G262 CarbonylContact O-C 3.45Å; P182-G262 WeakPolarHBondContact O-CA 3.2Å; I208-G262 WeakPolarHBondContact CB-O 3.33Å; I208-G262 PolarHBondContact N-O 3.42Å; I208-G262 VanDerWaalsContact N-O 3.1Å; C258-G262 CarbonylContact O-C 3.56Å; C258-G262 WeakPolarHBondContact O-CA 3.36Å; C258-G262 PolarHBondContact O-N 3.07Å; C258-G262 VanDerWaalsContact O-N 3.08Å
263W95.4Very high93.2Very high6 Ų650.3 Ų50.32%0.02324%0.241CC..EExtended strand (participates in β ladder)trans-147.3155.4-170.950.5-104.2000113.2P182 K183 I184 I185 I208 V210 L253 C258 L265 V283 P285P182-W263 PolarHBondContact O-N 2.99Å; K183-W263 HydrophobicContact CB-CD2 4.04Å; K183-W263 HydrophobicContact CB-CE3 4.31Å; K183-W263 HydrophobicContact CB-CH2 3.82Å; K183-W263 HydrophobicContact CB-CZ2 3.51Å; K183-W263 HydrophobicContact CB-CZ3 4.2Å; K183-W263 HydrophobicContact CD-CZ2 3.87Å; K183-W263 HydrophobicContact CG-CD2 4.22Å; K183-W263 HydrophobicContact CG-CZ2 3.82Å; I184-W263 PolarHBondContact N-O 3.49Å; I184-W263 WeakPolarHBondContact O-CZ3 3.24Å; I185-W263 HydrophobicContact CG1-CH2 4.42Å; I185-W263 HydrophobicContact CG1-CZ3 4.02Å; I208-W263 CarbonylContact O-C 3.57Å; I208-W263 VanDerWaalsContact O-CA 3.25Å; I208-W263 WeakPolarHBondContact O-CA 3.46Å; V210-W263 HydrophobicContact CG2-CB 4.35Å; L253-W263 HydrophobicContact CD1-CH2 4.47Å; L253-W263 HydrophobicContact CD1-CZ2 4.21Å; L253-W263 HydrophobicContact CD2-CB 3.97Å; L253-W263 HydrophobicContact CD2-CD2 3.56Å; L253-W263 HydrophobicContact CD2-CE3 4.05Å; L253-W263 HydrophobicContact CD2-CG 3.53Å; C258-W263 HydrophobicContact CB-CB 4.41Å; W263-L265 HydrophobicContact CE3-CB 3.89Å; W263-L265 HydrophobicContact CZ3-CB 3.73Å; W263-V283 HydrophobicContact CH2-CG1 4.11Å; W263-V283 HydrophobicContact CZ2-CG1 3.69Å; W263-P285 HydrophobicContact CH2-CB 4.13Å
264I96.7Very high93.2Very high0 Ų051 Ų510%024%0.244CC..EExtended strand (participates in β ladder)trans-122.4107.2172.7-54.9160.7000107.6I184 L186 A198 L201 L207 I208 V210 V266I184-I264 HydrophobicContact CB-CG1 4.32Å; I184-I264 HydrophobicContact CB-CG2 4.47Å; I184-I264 HydrophobicContact CD1-CG1 4.21Å; I184-I264 HydrophobicContact CG2-CG2 4.47Å; I184-I264 CarbonylContact O-C 3.41Å; I184-I264 WeakPolarHBondContact O-CA 3.47Å; L186-I264 HydrophobicContact CD1-CG2 3.73Å; L186-I264 HydrophobicContact CG-CG2 3.82Å; A198-I264 HydrophobicContact CB-CB 4.5Å; A198-I264 HydrophobicContact CB-CG2 3.86Å; A198-I264 WeakPolarHBondContact O-CD1 2.9Å; L201-I264 HydrophobicContact CB-CD1 3.44Å; L201-I264 VanDerWaalsContact CB-CD1 3.44Å; L201-I264 HydrophobicContact CD1-CD1 3.98Å; L201-I264 HydrophobicContact CG-CD1 4.41Å; L207-I264 HydrophobicContact CB-CD1 3.75Å; L207-I264 HydrophobicContact CB-CG1 3.98Å; L207-I264 HydrophobicContact CD1-CD1 3.77Å; L207-I264 HydrophobicContact CD1-CG1 3.88Å; L207-I264 HydrophobicContact CG-CD1 4.41Å; I208-I264 PolarHBondContact O-N 3.15Å; V210-I264 PolarHBondContact N-O 2.84Å; I264-V266 HydrophobicContact CG2-CG2 4.15Å
265L97Very high93.3Very high0 Ų047 Ų470%022%0.223CC..EExtended strand (participates in β ladder)trans-86121.8179.1-171.862.7000110I184 I185 L186 V210 V249 L253 W263 Y268 L278I184-L265 PolarHBondContact O-N 3.28Å; I185-L265 HydrophobicContact CD1-CD2 4.46Å; I185-L265 HydrophobicContact CG1-CB 4.22Å; I185-L265 HydrophobicContact CG1-CD2 4.31Å; L186-L265 PolarHBondContact N-O 2.63Å; V210-L265 HydrophobicContact CB-CD1 4.12Å; V210-L265 HydrophobicContact CG1-CD1 3.82Å; V210-L265 WeakPolarHBondContact O-CA 3.43Å; V249-L265 HydrophobicContact CG1-CD1 3.94Å; V249-L265 HydrophobicContact CG1-CD2 4.23Å; L253-L265 HydrophobicContact CD1-CD2 4.43Å; W263-L265 HydrophobicContact CE3-CB 3.89Å; W263-L265 HydrophobicContact CZ3-CB 3.73Å; L265-Y268 HydrophobicContact CD2-CD1 4.01Å; L265-Y268 WeakPolarHBondContact CD2-O 3.35Å; L265-Y268 WeakPolarHBondContact CG-O 3.42Å; L265-L278 HydrophobicContact CD2-CD1 4.17Å
266V95.3Very high93.3Very high2 Ų247.4 Ų47.41%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-118.7131.7-177.9-173.70000110.1L186 K194 A198 V210 C212 I264 Y268L186-V266 HydrophobicContact CD1-CG2 4.33Å; K194-V266 HydrophobicContact CB-CG1 3.81Å; K194-V266 HydrophobicContact CD-CG1 4.49Å; A198-V266 HydrophobicContact CB-CG2 3.62Å; V210-V266 PolarHBondContact O-N 3.02Å; C212-V266 PolarHBondContact N-O 2.85Å; I264-V266 HydrophobicContact CG2-CG2 4.15Å; V266-Y268 VanDerWaalsContact C-N 3.29Å; V266-Y268 PolarHBondContact O-N 3.3Å
267G90.1Very high93.5Very high12 Ų1242.6 Ų42.612%0.12420%0.2CC..SBendtrans7714173.900000114.7R270G267-R270 WeakPolarHBondContact O-CG 3.4Å; G267-R270 PolarHBondContact O-NE 2.89Å
268Y94.4Very high93.5Very high3 Ų340.5 Ų40.51%0.01219%0.189CC..  trans-150.9140.6171.5-168.3-88.3000108.7C212 V245 S246 V249 L265 V266 Q274 L278C212-Y268 HydrophobicContact CB-CG 4.47Å; V245-Y268 HydrophobicContact CB-CE2 4.35Å; V245-Y268 HydrophobicContact CG1-CD2 3.88Å; V245-Y268 HydrophobicContact CG1-CE2 3.57Å; S246-Y268 WeakPolarHBondContact CB-OH 3.36Å; V249-Y268 HydrophobicContact CG1-CD1 4.3Å; V249-Y268 HydrophobicContact CG1-CE1 4.47Å; V249-Y268 HydrophobicContact CG2-CD1 4.45Å; V249-Y268 HydrophobicContact CG2-CG 4.39Å; L265-Y268 HydrophobicContact CD2-CD1 4.01Å; L265-Y268 WeakPolarHBondContact CD2-O 3.35Å; L265-Y268 WeakPolarHBondContact CG-O 3.42Å; V266-Y268 VanDerWaalsContact C-N 3.29Å; V266-Y268 PolarHBondContact O-N 3.3Å; Y268-Q274 HydrophobicContact CD2-CG 4.46Å; Y268-Q274 HydrophobicContact CE1-CB 4.17Å; Y268-Q274 HydrophobicContact CE2-CB 3.8Å; Y268-Q274 HydrophobicContact CE2-CG 3.57Å; Y268-L278 HydrophobicContact CD1-CD1 3.9Å; Y268-L278 HydrophobicContact CD1-CD2 4.31Å; Y268-L278 HydrophobicContact CD1-CG 4.28Å; Y268-L278 HydrophobicContact CE1-CD1 3.75Å; Y268-L278 HydrophobicContact CE1-CD2 3.79Å; Y268-L278 HydrophobicContact CE1-CG 3.66Å
269P95.1Very high93.4Very high4 Ų441.2 Ų41.23%0.02619%0.194CC..  cis-72.1157.8-6.131.9-35.6000112.6Q274 A275 L278 I356 Y360P269-Q274 HydrophobicContact CB-CB 3.6Å; P269-A275 HydrophobicContact CB-CB 4.12Å; P269-A275 HydrophobicContact CG-CB 3.91Å; P269-L278 HydrophobicContact CG-CD1 4.48Å; P269-I356 HydrophobicContact CG-CG2 4.43Å; P269-Y360 HydrophobicContact CG-CE2 3.96Å
270R93.4Very high93.5Very high142 Ų14240.6 Ų40.654%0.53620%0.198SC..  trans-117.2-7.6174.2-61.4-172.7-174.5176.61.8113.5G267 N352 I356G267-R270 WeakPolarHBondContact O-CG 3.4Å; G267-R270 PolarHBondContact O-NE 2.89Å; R270-N352 VanDerWaalsContact O-CB 3.27Å; R270-N352 WeakPolarHBondContact O-CB 3.44Å; R270-I356 WeakPolarHBondContact O-CD1 3.24Å
271T94.2Very high93.7Very high32 Ų3239.2 Ų39.220%0.19619%0.186CC..SBendtrans-139.2159.5175.762.40000108.4Q273 Q274 A275T271-Q273 VanDerWaalsContact C-N 3.3Å; T271-Q273 PolarHBondContact O-N 3.36Å; T271-Q274 PolarHBondContact O-N 3.38Å; T271-Q274 VanDerWaalsContact OG1-CG 3.3Å; T271-Q274 WeakPolarHBondContact OG1-CG 3.34Å; T271-Q274 PolarHBondContact OG1-N 2.81Å; T271-A275 PolarHBondContact O-N 3.49Å
272R94.6Very high93.6Very high78 Ų7840.8 Ų40.829%0.29420%0.196SC..Hα-helixtrans-59.5-41.1173.9-178.6172.8-179.7135.8-3.7112.3Q274 A275 E276 D355 E358 Y359R272-Q274 VanDerWaalsContact C-N 3.27Å; R272-Q274 PolarHBondContact O-N 3.46Å; R272-A275 WeakPolarHBondContact O-CA 3.41Å; R272-A275 WeakPolarHBondContact O-CB 3.36Å; R272-A275 PolarHBondContact O-N 2.89Å; R272-E276 IonicContact NE-OE1 2.9Å; R272-E276 PolarHBondContact NE-OE1 3.26Å; R272-E276 PolarHBondContact O-N 2.85Å; R272-D355 HydrophobicContact CB-CB 4.11Å; R272-E358 IonicContact CZ-OE1 2.67Å; R272-E358 VanDerWaalsContact NH1-CD 3.33Å; R272-E358 IonicContact NH1-OE1 3.92Å; R272-E358 PolarHBondContact NH1-OE1 3.48Å; R272-E358 IonicContact NH1-OE2 3.72Å; R272-E358 IonicContact NH2-OE1 2.91Å; R272-Y359 HydrophobicContact CG-CD2 4.22Å
273Q94.8Very high93.5Very high120 Ų12041.2 Ų41.256%0.56120%0.198SC*.Hα-helixtrans-56.9-39.1177.2-172.3175.412.800112.6T271 A275 E276 L277T271-Q273 VanDerWaalsContact C-N 3.3Å; T271-Q273 PolarHBondContact O-N 3.36Å; Q273-A275 VanDerWaalsContact C-N 3.34Å; Q273-A275 PolarHBondContact O-N 3.04Å; Q273-E276 PolarHBondContact O-N 3.5Å; Q273-L277 WeakPolarHBondContact O-CG 3.35Å; Q273-L277 PolarHBondContact O-N 3.13Å
274Q95.4Very high93.1Very high17 Ų1744.2 Ų44.28%0.07921%0.21CC..Hα-helixtrans-66.3-34.8174.7-73.8175.63.700112.5D242 Y268 P269 T271 R272 L277 L278D242-Q274 HydrophobicContact CB-CG 4.21Å; D242-Q274 PolarHBondContact OD1-NE2 2.93Å; Y268-Q274 HydrophobicContact CD2-CG 4.46Å; Y268-Q274 HydrophobicContact CE1-CB 4.17Å; Y268-Q274 HydrophobicContact CE2-CB 3.8Å; Y268-Q274 HydrophobicContact CE2-CG 3.57Å; P269-Q274 HydrophobicContact CB-CB 3.6Å; T271-Q274 PolarHBondContact O-N 3.38Å; T271-Q274 VanDerWaalsContact OG1-CG 3.3Å; T271-Q274 WeakPolarHBondContact OG1-CG 3.34Å; T271-Q274 PolarHBondContact OG1-N 2.81Å; R272-Q274 VanDerWaalsContact C-N 3.27Å; R272-Q274 PolarHBondContact O-N 3.46Å; Q274-L277 PolarHBondContact O-N 2.77Å; Q274-L278 PolarHBondContact O-N 3.43Å; Q274-L278 VanDerWaalsContact O-N 3.14Å
275A94.3Very high92.8Very high0 Ų044.4 Ų44.40%021%0.211CC..Hα-helixtrans-69.1-39.817600000111.9P269 T271 R272 Q273 L278 S279 Y359 Y360P269-A275 HydrophobicContact CB-CB 4.12Å; P269-A275 HydrophobicContact CG-CB 3.91Å; T271-A275 PolarHBondContact O-N 3.49Å; R272-A275 WeakPolarHBondContact O-CA 3.41Å; R272-A275 WeakPolarHBondContact O-CB 3.36Å; R272-A275 PolarHBondContact O-N 2.89Å; Q273-A275 VanDerWaalsContact C-N 3.34Å; Q273-A275 PolarHBondContact O-N 3.04Å; A275-L278 PolarHBondContact O-N 3.12Å; A275-S279 PolarHBondContact O-N 3.15Å; A275-S279 PolarHBondContact O-OG 3.03Å; A275-Y359 HydrophobicContact CB-CD1 3.5Å; A275-Y359 HydrophobicContact CB-CE1 3.69Å; A275-Y359 HydrophobicContact CB-CG 4.08Å; A275-Y360 HydrophobicContact CB-CE2 3.88Å
276E94.4Very high92.4Very high87 Ų8745.4 Ų45.441%0.40722%0.217SC..Hα-helixtrans-63-40.8173.3-71.5170.4-178.400111.5R272 Q273 L278 S279 S280 Y359R272-E276 IonicContact NE-OE1 2.9Å; R272-E276 PolarHBondContact NE-OE1 3.26Å; R272-E276 PolarHBondContact O-N 2.85Å; Q273-E276 PolarHBondContact O-N 3.5Å; E276-L278 PolarHBondContact O-N 3.13Å; E276-S279 PolarHBondContact O-N 2.88Å; E276-S280 PolarHBondContact O-N 3.02Å; E276-Y359 HydrophobicContact CG-CD2 4.09Å; E276-Y359 HydrophobicContact CG-CE2 3.45Å; E276-Y359 VanDerWaalsContact CG-CE2 3.45Å
277L94.9Very high92.1Very high38 Ų3846 Ų4620%0.19922%0.22CC..Hα-helixtrans-63.4-38175-76.5167.7000113.2D242 Q273 Q274 S279 S280 H281D242-L277 HydrophobicContact CB-CD1 3.88Å; Q273-L277 WeakPolarHBondContact O-CG 3.35Å; Q273-L277 PolarHBondContact O-N 3.13Å; Q274-L277 PolarHBondContact O-N 2.77Å; L277-S279 VanDerWaalsContact C-N 3.28Å; L277-S279 PolarHBondContact O-N 2.9Å; L277-S280 PolarHBondContact O-N 2.83Å; L277-S280 PolarHBondContact O-OG 3.31Å; L277-H281 WeakPolarHBondContact O-CB 3.26Å; L277-H281 PolarHBondContact O-CD2 3.2Å; L277-H281 PolarHBondContact O-N 3.17Å; L277-H281 VanDerWaalsContact O-N 3.09Å
278L93.8Very high92.3Very high1 Ų145.6 Ų45.61%0.00522%0.215CC..Hα-helixtrans-61.1-42.3172.6-73.4171.9000111.6I185 V249 L265 Y268 P269 Q274 A275 E276 H281 K282 V283I185-L278 HydrophobicContact CD1-CD1 4.28Å; V249-L278 HydrophobicContact CG1-CD2 4.11Å; L265-L278 HydrophobicContact CD2-CD1 4.17Å; Y268-L278 HydrophobicContact CD1-CD1 3.9Å; Y268-L278 HydrophobicContact CD1-CD2 4.31Å; Y268-L278 HydrophobicContact CD1-CG 4.28Å; Y268-L278 HydrophobicContact CE1-CD1 3.75Å; Y268-L278 HydrophobicContact CE1-CD2 3.79Å; Y268-L278 HydrophobicContact CE1-CG 3.66Å; P269-L278 HydrophobicContact CG-CD1 4.48Å; Q274-L278 PolarHBondContact O-N 3.43Å; Q274-L278 VanDerWaalsContact O-N 3.14Å; A275-L278 PolarHBondContact O-N 3.12Å; E276-L278 PolarHBondContact O-N 3.13Å; L278-H281 CarbonylContact O-C 3.5Å; L278-H281 PolarHBondContact O-N 3.5Å; L278-K282 PolarHBondContact O-N 3.28Å; L278-V283 HydrophobicContact CB-CB 4.43Å; L278-V283 HydrophobicContact CD2-CB 4.25Å; L278-V283 HydrophobicContact CD2-CG1 4.2Å; L278-V283 PolarHBondContact O-N 2.89Å
279S91.1Very high92.3Very high15 Ų1545.5 Ų45.511%0.10521%0.214CC..Hα-helixtrans-68.8-39.6-177.5-55.80000111.2A275 E276 L277 H281 K282 Y284 Y359A275-S279 PolarHBondContact O-N 3.15Å; A275-S279 PolarHBondContact O-OG 3.03Å; E276-S279 PolarHBondContact O-N 2.88Å; L277-S279 VanDerWaalsContact C-N 3.28Å; L277-S279 PolarHBondContact O-N 2.9Å; S279-H281 PolarHBondContact O-N 3.05Å; S279-K282 WeakPolarHBondContact O-CA 3.43Å; S279-K282 PolarHBondContact O-N 3.49Å; S279-Y284 PolarHBondContact O-OH 2.99Å; S279-Y359 WeakPolarHBondContact CB-OH 3.37Å; S279-Y359 PolarHBondContact OG-OH 3.45Å
280S92.1Very high92.3Very high81 Ų8145.7 Ų45.757%0.56622%0.215SC*.Hα-helixtrans-65.1-29.7173.676.50000112.5E276 L277 K282E276-S280 PolarHBondContact O-N 3.02Å; L277-S280 PolarHBondContact O-N 2.83Å; L277-S280 PolarHBondContact O-OG 3.31Å; S280-K282 PolarHBondContact O-N 2.96Å
281H89.6Confident92.4Very high48 Ų4839 Ų3922%0.22219%0.19CC..THydrogen-bonded Turntrans-79.45.8171.2-68.5-36.6000114.4S246 K250 L277 L278 S279 V283S246-H281 PolarHBondContact OG-NE2 3.34Å; K250-H281 HydrophobicContact CB-CB 4.46Å; K250-H281 HydrophobicContact CD-CB 3.97Å; K250-H281 HydrophobicContact CG-CB 4.09Å; L277-H281 WeakPolarHBondContact O-CB 3.26Å; L277-H281 PolarHBondContact O-CD2 3.2Å; L277-H281 PolarHBondContact O-N 3.17Å; L277-H281 VanDerWaalsContact O-N 3.09Å; L278-H281 CarbonylContact O-C 3.5Å; L278-H281 PolarHBondContact O-N 3.5Å; S279-H281 PolarHBondContact O-N 3.05Å; H281-V283 HydrophobicContact CB-CG2 4.21Å; H281-V283 PolarHBondContact O-N 3.32Å
282K87.3Confident92.4Very high170 Ų17040.3 Ų40.374%0.73920%0.196SC*.THydrogen-bonded Turntrans59.427.4-176.9-54.4-176.7177.8-175.80113.5L278 S279 S280 Y284L278-K282 PolarHBondContact O-N 3.28Å; S279-K282 WeakPolarHBondContact O-CA 3.43Å; S279-K282 PolarHBondContact O-N 3.49Å; S280-K282 PolarHBondContact O-N 2.96Å; K282-Y284 HydrophobicContact CB-CE2 4.04Å
283V89.1Confident92.4Very high10 Ų1036.7 Ų36.76%0.06118%0.182CC..  trans-95.198.2174.7-179.40000108.1L253 W263 L278 H281L253-V283 HydrophobicContact CD1-CG1 3.65Å; W263-V283 HydrophobicContact CH2-CG1 4.11Å; W263-V283 HydrophobicContact CZ2-CG1 3.69Å; L278-V283 HydrophobicContact CB-CB 4.43Å; L278-V283 HydrophobicContact CD2-CB 4.25Å; L278-V283 HydrophobicContact CD2-CG1 4.2Å; L278-V283 PolarHBondContact O-N 2.89Å; H281-V283 HydrophobicContact CB-CG2 4.21Å; H281-V283 PolarHBondContact O-N 3.32Å
284Y88.3Confident92.3Very high68 Ų6837.1 Ų37.127%0.26718%0.184SC..  trans-105.8121.4179.7-54.6-68.4000110.7K183 S279 K282 F393K183-Y284 WeakPolarHBondContact CD-O 3.46Å; S279-Y284 PolarHBondContact O-OH 2.99Å; K282-Y284 HydrophobicContact CB-CE2 4.04Å; Y284-F393 HydrophobicContact CD1-CB 3.28Å; Y284-F393 HydrophobicContact CD1-CD2 4.36Å; Y284-F393 AromaticContact CD1-CG 3.94Å; Y284-F393 HydrophobicContact CD1-CG 3.94Å; Y284-F393 HydrophobicContact CE1-CB 3.7Å; Y284-F393 HydrophobicContact CG-CB 3.97Å; Y284-F393 HydrophobicContact CG-CD2 4.45Å; Y284-F393 HydrophobicContact CG-CG 4.46Å
285P90.3Very high92.1Very high4 Ų440 Ų403%0.02620%0.198CC..  trans-74143.3174.432.7-35.4000110.6K183 I185 W263 R287 V288 Y360 F393K183-P285 CarbonylContact O-C 3.58Å; K183-P285 WeakPolarHBondContact O-CA 3.48Å; I185-P285 HydrophobicContact CD1-CB 3.8Å; I185-P285 HydrophobicContact CD1-CG 3.71Å; I185-P285 HydrophobicContact CG1-CB 3.81Å; I185-P285 HydrophobicContact CG1-CG 4.27Å; W263-P285 HydrophobicContact CH2-CB 4.13Å; P285-R287 VanDerWaalsContact C-N 3.34Å; P285-V288 HydrophobicContact CB-CG2 4.19Å; P285-V288 HydrophobicContact CG-CG2 3.69Å; P285-Y360 HydrophobicContact CG-CE1 4.03Å; P285-F393 HydrophobicContact CG-CZ 4.1Å; P285-F393 WeakPolarHBondContact O-CE2 3.24Å; P285-F393 WeakPolarHBondContact O-CZ 3.31Å
286T87.5Confident92Very high21 Ų2143.2 Ų43.213%0.12922%0.22CC..SBendtrans-77.8-25.4170-16.70000111.8K183 L388K183-T286 WeakPolarHBondContact CB-OG1 3.2Å; K183-T286 PolarHBondContact N-OG1 3.47Å; K183-T286 PolarHBondContact O-N 3.41Å; T286-L388 HydrophobicContact CG2-CD1 3.51Å; T286-L388 HydrophobicContact CG2-CD2 3.41Å; T286-L388 VanDerWaalsContact CG2-CD2 3.41Å; T286-L388 HydrophobicContact CG2-CG 4.07Å
287R89.5Confident91.9Very high15 Ų1540.3 Ų40.36%0.05721%0.209CC..EExtended strand (participates in β ladder)trans-142.2135.4-179.1-71.5-70.1179.2-95.79.2111.2K183 I184 I185 P285 I289 A383 N386 P387 L388K183-R287 PolarHBondContact O-N 2.97Å; I184-R287 CarbonylContact C-O 3.53Å; I184-R287 WeakPolarHBondContact CA-O 3.32Å; I184-R287 HydrophobicContact CG1-CB 4.12Å; I184-R287 HydrophobicContact CG2-CB 4.36Å; I185-R287 PolarHBondContact N-O 3.26Å; P285-R287 VanDerWaalsContact C-N 3.34Å; R287-I289 HydrophobicContact CB-CG1 4.45Å; R287-A383 PolarHBondContact NE-O 3.22Å; R287-N386 PolarHBondContact NH2-O 2.73Å; R287-P387 VanDerWaalsContact NH2-C 3.29Å; R287-P387 PolarHBondContact NH2-O 3Å; R287-L388 VanDerWaalsContact CZ-CD2 3.45Å; R287-L388 VanDerWaalsContact NH2-CA 3.34Å
288V93.7Very high91.7Very high4 Ų438.5 Ų38.52%0.02420%0.199CC..EExtended strand (participates in β ladder)trans-120.5117.9168-176.70000107.2I185 L187 P285 Y360 V364 V365I185-V288 HydrophobicContact CB-CG1 4.48Å; I185-V288 HydrophobicContact CB-CG2 4.39Å; L187-V288 HydrophobicContact CD1-CG1 3.48Å; L187-V288 VanDerWaalsContact CD1-CG1 3.48Å; L187-V288 HydrophobicContact CG-CG1 4.06Å; P285-V288 HydrophobicContact CB-CG2 4.19Å; P285-V288 HydrophobicContact CG-CG2 3.69Å; V288-Y360 HydrophobicContact CB-CG 4.41Å; V288-Y360 HydrophobicContact CG1-CD2 4.05Å; V288-Y360 HydrophobicContact CG1-CG 4.12Å; V288-Y360 HydrophobicContact CG2-CD1 3.7Å; V288-Y360 HydrophobicContact CG2-CD2 4.42Å; V288-Y360 HydrophobicContact CG2-CE1 4Å; V288-Y360 HydrophobicContact CG2-CG 3.92Å; V288-V364 HydrophobicContact CG1-CG2 4.19Å; V288-V365 PolarHBondContact O-N 3.26Å
289I95.2Very high91.7Very high0 Ų040.5 Ų40.50%021%0.214CC..EExtended strand (participates in β ladder)trans-117.5120.4-174.5-54.9178.4000108.3I184 I185 L186 L187 R287 V365 V367 I380 A383 I384I184-I289 HydrophobicContact CG2-CD1 4.03Å; I184-I289 HydrophobicContact CG2-CG1 4.42Å; I185-I289 PolarHBondContact O-N 3.25Å; L186-I289 HydrophobicContact CD2-CB 3.94Å; L186-I289 HydrophobicContact CD2-CD1 4.31Å; L186-I289 HydrophobicContact CD2-CG2 4.38Å; L187-I289 PolarHBondContact N-O 3.47Å; R287-I289 HydrophobicContact CB-CG1 4.45Å; I289-V365 CarbonylContact C-O 3.49Å; I289-V365 WeakPolarHBondContact CA-O 3.38Å; I289-V367 HydrophobicContact CG2-CB 4.28Å; I289-V367 HydrophobicContact CG2-CG2 3.65Å; I289-I380 HydrophobicContact CD1-CG2 3.82Å; I289-I380 HydrophobicContact CG2-CG1 4.3Å; I289-A383 HydrophobicContact CD1-CB 4.26Å; I289-I384 HydrophobicContact CD1-CG1 4.39Å
290L95.4Very high91.7Very high9 Ų945.3 Ų45.35%0.04723%0.234CC..EExtended strand (participates in β ladder)trans-95111.8173.517969000109.3L187 D292 F349 I357 V364 V365 K366 V367L187-L290 HydrophobicContact CB-CD1 3.85Å; L290-D292 PolarHBondContact O-N 2.81Å; L290-F349 HydrophobicContact CD1-CZ 4.14Å; L290-I357 HydrophobicContact CD2-CD1 3.53Å; L290-I357 HydrophobicContact CD2-CG1 4.11Å; L290-V364 HydrophobicContact CB-CG1 3.66Å; L290-V365 PolarHBondContact N-O 3.3Å; L290-K366 HydrophobicContact CB-CG 4.5Å; L290-K366 HydrophobicContact CD2-CG 4.19Å; L290-V367 PolarHBondContact O-N 2.75Å
291M95.7Very high91.6Very high2 Ų244 Ų441%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-78.398.9169.4-63.7-174.672.900109.2L187 A192 K194 Q197 A369 V376 I380L187-M291 WeakPolarHBondContact O-CB 3.43Å; L187-M291 PolarHBondContact O-N 3.37Å; A192-M291 HydrophobicContact CB-CB 4.23Å; A192-M291 WeakPolarHBondContact O-CE 3.47Å; K194-M291 HydrophobicContact CB-SD 4.18Å; K194-M291 HydrophobicContact CG-SD 3.67Å; Q197-M291 HydrophobicContact CB-CE 4.48Å; Q197-M291 HydrophobicContact CG-CE 3.61Å; Q197-M291 HydrophobicContact CG-SD 4.24Å; M291-A369 HydrophobicContact CB-CB 3.79Å; M291-A369 HydrophobicContact CE-CB 3.72Å; M291-A369 HydrophobicContact CG-CB 4.42Å; M291-V376 HydrophobicContact CE-CG1 3.78Å; M291-I380 HydrophobicContact CE-CD1 4.31Å; M291-I380 HydrophobicContact CG-CD1 4.49Å; M291-I380 HydrophobicContact SD-CD1 4.37Å
292D93.8Very high91.6Very high58 Ų5841.9 Ų41.931%0.3121%0.207SC..EExtended strand (participates in β ladder)trans-84.9119.5-178.2-166.523.1000110.6L290 V367 A369L290-D292 PolarHBondContact O-N 2.81Å; D292-V367 PolarHBondContact N-O 3.03Å; D292-A369 PolarHBondContact O-N 3.14Å
293V93.4Very high91.7Very high3 Ų336.2 Ų36.22%0.01819%0.189CC..  trans-142.8140-178.9-177.10000107.3Y189 A192 C297 A298 A369 D370Y189-V293 VanDerWaalsContact CD2-O 3.23Å; Y189-V293 WeakPolarHBondContact CD2-O 3.19Å; Y189-V293 WeakPolarHBondContact CE2-O 3.36Å; A192-V293 HydrophobicContact CB-CB 4.47Å; A192-V293 HydrophobicContact CB-CG2 3.84Å; V293-C297 HydrophobicContact CG1-CB 3.64Å; V293-A298 HydrophobicContact CG1-CB 4.46Å; V293-A369 HydrophobicContact CG2-CB 3.41Å; V293-A369 VanDerWaalsContact CG2-CB 3.41Å; V293-D370 HydrophobicContact CG1-CB 4.49Å
294H92.7Very high91.7Very high129 Ų12936 Ų3660%0.59719%0.189SC*.  trans-62.3143174.9-159.1-100.8000110.9S296 C297 A298H294-S296 PolarHBondContact ND1-OG 2.82Å; H294-S296 PolarHBondContact O-N 3.19Å; H294-C297 PolarHBondContact O-N 2.85Å; H294-A298 PolarHBondContact O-N 3.18Å
295Q91.6Very high91.7Very high78 Ų7835.4 Ų35.436%0.36419%0.186SC..Hα-helixtrans-58.2-36.6-175.4-177.4179.1-7.600112.3Y189 A298 S299 L346Y189-Q295 HydrophobicContact CE1-CG 4.49Å; Q295-A298 PolarHBondContact O-N 3.18Å; Q295-S299 WeakPolarHBondContact O-CB 2.92Å; Q295-S299 PolarHBondContact O-N 2.75Å; Q295-L346 HydrophobicContact CG-CB 4.11Å; Q295-L346 HydrophobicContact CG-CD1 3.85Å; Q295-L346 HydrophobicContact CG-CG 4.4Å
296S92.4Very high91.6Very high67 Ų6737.9 Ų37.947%0.46920%0.195SC..Hα-helixtrans-61.4-47.7175.356.60000111.8H294 A298 S299 E300H294-S296 PolarHBondContact ND1-OG 2.82Å; H294-S296 PolarHBondContact O-N 3.19Å; S296-A298 VanDerWaalsContact C-N 3.32Å; S296-A298 PolarHBondContact O-N 3.44Å; S296-S299 WeakPolarHBondContact O-CB 3.19Å; S296-S299 PolarHBondContact O-N 3.38Å; S296-S299 VanDerWaalsContact O-N 3.14Å; S296-E300 PolarHBondContact O-N 3.22Å
297C91.9Very high91.6Very high25 Ų2539 Ų3917%0.16920%0.199CC..Hα-helixtrans-63-39.7178.5-55.80000111.1V293 H294 S299 E300 R301 D370V293-C297 HydrophobicContact CG1-CB 3.64Å; H294-C297 PolarHBondContact O-N 2.85Å; C297-S299 VanDerWaalsContact C-N 3.35Å; C297-S299 PolarHBondContact O-N 3.3Å; C297-E300 PolarHBondContact O-N 3.14Å; C297-R301 WeakPolarHBondContact O-CB 3.5Å; C297-R301 WeakPolarHBondContact O-CG 3.46Å; C297-R301 PolarHBondContact O-N 3.44Å; C297-D370 PolarHBondContact SG-OD2 3.12Å
298A92.3Very high91.4Very high0 Ų038.2 Ų38.20%020%0.197CC..Hα-helixtrans-64-39174.600000112.6Y189 V293 H294 Q295 S296 L302 L346Y189-A298 HydrophobicContact CG-CB 4.25Å; V293-A298 HydrophobicContact CG1-CB 4.46Å; H294-A298 PolarHBondContact O-N 3.18Å; Q295-A298 PolarHBondContact O-N 3.18Å; S296-A298 VanDerWaalsContact C-N 3.32Å; S296-A298 PolarHBondContact O-N 3.44Å; A298-L302 WeakPolarHBondContact O-CG 3.29Å; A298-L302 PolarHBondContact O-N 2.87Å; A298-L346 HydrophobicContact CB-CD2 4.03Å
299S92.4Very high90.9Very high44 Ų4441.4 Ų41.431%0.30822%0.217SC..Hα-helixtrans-64.2-47.9176.1-168.90000111.9Q295 S296 C297 R301 L302 S303Q295-S299 WeakPolarHBondContact O-CB 2.92Å; Q295-S299 PolarHBondContact O-N 2.75Å; S296-S299 WeakPolarHBondContact O-CB 3.19Å; S296-S299 PolarHBondContact O-N 3.38Å; S296-S299 VanDerWaalsContact O-N 3.14Å; C297-S299 VanDerWaalsContact C-N 3.35Å; C297-S299 PolarHBondContact O-N 3.3Å; S299-R301 PolarHBondContact O-N 3.25Å; S299-L302 PolarHBondContact O-N 3.47Å; S299-S303 PolarHBondContact O-N 3.49Å
300E90.8Very high90.4Very high115 Ų11547.4 Ų47.454%0.53725%0.248SC..Hα-helixtrans-61-44.6177.9-172.5-179.8176.400111.6S296 C297 L302 S303 G304 H316S296-E300 PolarHBondContact O-N 3.22Å; C297-E300 PolarHBondContact O-N 3.14Å; E300-L302 PolarHBondContact O-N 2.82Å; E300-S303 PolarHBondContact O-N 3.25Å; E300-S303 PolarHBondContact O-OG 2.87Å; E300-G304 PolarHBondContact O-N 2.89Å; E300-G304 VanDerWaalsContact O-N 3.12Å; E300-H316 PolarHBondContact O-NE2 2.86Å
301R90.6Very high89.8Confident54 Ų5450.4 Ų50.420%0.20427%0.267CS..Hα-helixtrans-61.1-31.7176-72.9174-172.6-167.73.1113.1G191 C297 S299 H316 A369 D370G191-R301 WeakPolarHBondContact O-CD 3.38Å; C297-R301 WeakPolarHBondContact O-CB 3.5Å; C297-R301 WeakPolarHBondContact O-CG 3.46Å; C297-R301 PolarHBondContact O-N 3.44Å; S299-R301 PolarHBondContact O-N 3.25Å; R301-H316 PolarHBondContact O-CD2 2.91Å; R301-A369 PolarHBondContact NH1-O 3.36Å; R301-A369 PolarHBondContact NH2-O 3.06Å; R301-A369 VanDerWaalsContact NH2-O 3.09Å; R301-D370 IonicContact CZ-OD1 3.59Å; R301-D370 IonicContact NH2-OD1 3.59Å; R301-D370 PolarHBondContact NH2-OD1 3.41Å
302L89.7Confident89Confident4 Ų452.2 Ų52.22%0.02129%0.286CS..Hα-helixtrans-76.4-43.2176.6-75.2170.8000111.7P190 A298 S299 E300 G304 R305 I342 L346P190-L302 HydrophobicContact CB-CD1 4.05Å; P190-L302 WeakPolarHBondContact O-CD1 3.33Å; A298-L302 WeakPolarHBondContact O-CG 3.29Å; A298-L302 PolarHBondContact O-N 2.87Å; S299-L302 PolarHBondContact O-N 3.47Å; E300-L302 PolarHBondContact O-N 2.82Å; L302-G304 VanDerWaalsContact C-N 3.31Å; L302-G304 PolarHBondContact O-N 3.42Å; L302-R305 WeakPolarHBondContact O-CB 3.17Å; L302-R305 PolarHBondContact O-N 3.35Å; L302-I342 HydrophobicContact CB-CD1 3.76Å; L302-I342 HydrophobicContact CB-CG1 3.97Å; L302-I342 HydrophobicContact CD1-CG1 4.22Å; L302-I342 HydrophobicContact CD1-CG2 3.95Å; L302-L346 HydrophobicContact CD1-CD2 4.5Å
303S89.9Confident88.3Confident51 Ų5154.3 Ų54.336%0.35730%0.297SS..Hα-helixtrans-66-33.6-177.265.10000112.5S299 E300 R306 Q333S299-S303 PolarHBondContact O-N 3.49Å; E300-S303 PolarHBondContact O-N 3.25Å; E300-S303 PolarHBondContact O-OG 2.87Å; S303-R306 PolarHBondContact O-NH1 2.77Å; S303-Q333 PolarHBondContact O-NE2 3.28Å
304G88.8Confident87.7Confident6 Ų658.5 Ų58.56%0.06231%0.312CS..THydrogen-bonded Turntrans-84.8-3.4175.500000115.2E300 L302 R306 H316 T317E300-G304 PolarHBondContact O-N 2.89Å; E300-G304 VanDerWaalsContact O-N 3.12Å; L302-G304 VanDerWaalsContact C-N 3.31Å; L302-G304 PolarHBondContact O-N 3.42Å; G304-R306 PolarHBondContact O-N 3.2Å; G304-H316 WeakPolarHBondContact CA-NE2 3.49Å; G304-T317 WeakPolarHBondContact CA-OG1 3.41Å; G304-T317 PolarHBondContact O-N 2.89Å; G304-T317 VanDerWaalsContact O-N 3.07Å; G304-T317 PolarHBondContact O-OG1 2.99Å
305R88.5Confident87.1Confident55 Ų5553.2 Ų53.221%0.20829%0.287CS..EExtended strand (participates in β ladder)trans-70.9129-177.8-172.516772.7-172.53.1111.7L302 D337L302-R305 WeakPolarHBondContact O-CB 3.17Å; L302-R305 PolarHBondContact O-N 3.35Å; R305-D337 IonicContact CZ-OD1 3.84Å; R305-D337 IonicContact CZ-OD2 2.81Å; R305-D337 IonicContact NE-OD1 2.62Å; R305-D337 IonicContact NE-OD2 3.81Å; R305-D337 PolarHBondContact NE-OD2 3.11Å; R305-D337 IonicContact NH2-OD1 2.84Å; R305-D337 PolarHBondContact NH2-OD1 2.74Å; R305-D337 IonicContact NH2-OD2 3.72Å; R305-D337 PolarHBondContact NH2-OD2 3.11Å
306R88.6Confident86.7Confident55 Ų5550.6 Ų50.621%0.20828%0.275CS..EExtended strand (participates in β ladder)trans-127.9157.9174.6-61.6-64.4176.9-85.50.8110.9S303 G304 R314 F315 T317 A331S303-R306 PolarHBondContact O-NH1 2.77Å; G304-R306 PolarHBondContact O-N 3.2Å; R306-R314 VanDerWaalsContact O-CA 3.31Å; R306-R314 WeakPolarHBondContact O-CA 3.34Å; R306-F315 HydrophobicContact CB-CD2 4.26Å; R306-F315 HydrophobicContact CB-CE1 4.2Å; R306-F315 HydrophobicContact CB-CE2 3.87Å; R306-F315 HydrophobicContact CB-CZ 3.86Å; R306-F315 HydrophobicContact CG-CE2 4.39Å; R306-F315 PolarHBondContact N-O 3.13Å; R306-F315 PolarHBondContact O-N 3.09Å; R306-T317 HydrophobicContact CG-CG2 3.79Å; R306-A331 HydrophobicContact CB-CB 4.07Å
307M86Confident86.1Confident44 Ų4451.4 Ų51.422%0.21728%0.277CS..EExtended strand (participates in β ladder)trans-132.9131.9174.6-175.8-162.5-58.500109.1P309 I313 R314 A331 L332 R334M307-P309 WeakPolarHBondContact O-CD 2.93Å; M307-I313 WeakPolarHBondContact CA-O 3.36Å; M307-R314 HydrophobicContact CG-CG 4.36Å; M307-A331 WeakPolarHBondContact O-CA 3.09Å; M307-L332 PolarHBondContact N-O 2.87Å; M307-L332 PolarHBondContact O-N 3.43Å; M307-R334 HydrophobicContact CE-CG 4.34Å
308D85.9Confident85.3Confident0 Ų053.6 Ų53.60%030%0.297CS..  trans-74.2118.1165.5177.49.3000109.4I310 T311 G312 I313 I327 R330D308-I310 PolarHBondContact O-N 3.16Å; D308-I310 PolarHBondContact OD1-N 3.38Å; D308-T311 VanDerWaalsContact CB-OG1 3.3Å; D308-T311 WeakPolarHBondContact CB-OG1 3.48Å; D308-T311 VanDerWaalsContact CG-OG1 3.23Å; D308-T311 WeakPolarHBondContact OD2-CB 3.47Å; D308-T311 VanDerWaalsContact OD2-CG2 3.23Å; D308-T311 WeakPolarHBondContact OD2-CG2 3.35Å; D308-T311 PolarHBondContact OD2-N 3.17Å; D308-T311 PolarHBondContact OD2-OG1 3.19Å; D308-G312 WeakPolarHBondContact O-CA 3.31Å; D308-G312 PolarHBondContact O-N 3.4Å; D308-I313 PolarHBondContact N-O 2.94Å; D308-I327 HydrophobicContact CB-CG2 3.87Å; D308-R330 IonicContact OD1-CZ 3.16Å; D308-R330 IonicContact OD1-NE 2.77Å; D308-R330 PolarHBondContact OD1-NE 3.13Å; D308-R330 IonicContact OD1-NH2 2.75Å; D308-R330 IonicContact OD2-CZ 2.71Å; D308-R330 IonicContact OD2-NE 3.42Å; D308-R330 PolarHBondContact OD2-NE 2.97Å; D308-R330 IonicContact OD2-NH2 3.8Å; D308-R330 PolarHBondContact OD2-NH2 2.75Å
309P84.4Confident84.2Confident71 Ų7160.5 Ų60.546%0.46133%0.327SS..THydrogen-bonded Turntrans-64.1-20.9-179.825.8-34.6000113.7M307 R330 L332M307-P309 WeakPolarHBondContact O-CD 2.93Å; P309-R330 WeakPolarHBondContact CD-O 3.42Å; P309-L332 HydrophobicContact CB-CD1 4.07Å; P309-L332 HydrophobicContact CG-CD1 4.12Å; P309-L332 HydrophobicContact CG-CG 4.33Å
310I84.3Confident83Confident125 Ų12562.8 Ų62.864%0.64133%0.333SS*.THydrogen-bonded Turntrans-87.3-54-177.5-58.8-175.6000110.8D308D308-I310 PolarHBondContact O-N 3.16Å; D308-I310 PolarHBondContact OD1-N 3.38Å
311T82.5Confident81.5Confident72 Ų7262.4 Ų62.444%0.44234%0.343SS..THydrogen-bonded Turntrans-84.6-19.3-177.661.10000113D308 I313D308-T311 VanDerWaalsContact CB-OG1 3.3Å; D308-T311 WeakPolarHBondContact CB-OG1 3.48Å; D308-T311 VanDerWaalsContact CG-OG1 3.23Å; D308-T311 WeakPolarHBondContact OD2-CB 3.47Å; D308-T311 VanDerWaalsContact OD2-CG2 3.23Å; D308-T311 WeakPolarHBondContact OD2-CG2 3.35Å; D308-T311 PolarHBondContact OD2-N 3.17Å; D308-T311 PolarHBondContact OD2-OG1 3.19Å; T311-I313 HydrophobicContact CG2-CD1 4.46Å; T311-I313 PolarHBondContact O-N 3.09Å; T311-I313 WeakPolarHBondContact OG1-CG1 3.5Å; T311-I313 PolarHBondContact OG1-N 3.46Å
312G79.4Confident80.1Confident41 Ų4161.9 Ų61.942%0.42335%0.346SS..  trans72.51.2-172.600000114D308 R314D308-G312 WeakPolarHBondContact O-CA 3.31Å; D308-G312 PolarHBondContact O-N 3.4Å; G312-R314 PolarHBondContact O-N 3.36Å
313I78Confident79Confident102 Ų10270.9 Ų70.952%0.52339%0.388SS..  trans-64.8132.6178.8-63.9171.4000108.6M307 D308 T311M307-I313 WeakPolarHBondContact CA-O 3.36Å; D308-I313 PolarHBondContact N-O 2.94Å; T311-I313 HydrophobicContact CG2-CD1 4.46Å; T311-I313 PolarHBondContact O-N 3.09Å; T311-I313 WeakPolarHBondContact OG1-CG1 3.5Å; T311-I313 PolarHBondContact OG1-N 3.46Å
314R80.7Confident78Confident90 Ų9072.4 Ų72.434%0.3439%0.392SS..EExtended strand (participates in β ladder)trans-101.4135.7174.4-59.9178.7-171.4170.65108R306 M307 G312R306-R314 VanDerWaalsContact O-CA 3.31Å; R306-R314 WeakPolarHBondContact O-CA 3.34Å; M307-R314 HydrophobicContact CG-CG 4.36Å; G312-R314 PolarHBondContact O-N 3.36Å
315F80.3Confident77.1Confident19 Ų1976.7 Ų76.78%0.08342%0.417CS..EExtended strand (participates in β ladder)trans-142.9164.9176.961.9-88.5000110.2R306 E320 V322 I327 A331R306-F315 HydrophobicContact CB-CD2 4.26Å; R306-F315 HydrophobicContact CB-CE1 4.2Å; R306-F315 HydrophobicContact CB-CE2 3.87Å; R306-F315 HydrophobicContact CB-CZ 3.86Å; R306-F315 HydrophobicContact CG-CE2 4.39Å; R306-F315 PolarHBondContact N-O 3.13Å; R306-F315 PolarHBondContact O-N 3.09Å; F315-E320 WeakPolarHBondContact CA-OE2 3.5Å; F315-E320 HydrophobicContact CB-CB 4.07Å; F315-V322 HydrophobicContact CB-CG2 4.39Å; F315-V322 HydrophobicContact CD1-CG2 3.76Å; F315-V322 HydrophobicContact CD2-CG2 3.64Å; F315-V322 HydrophobicContact CE1-CG2 3.77Å; F315-V322 HydrophobicContact CE2-CG2 3.65Å; F315-V322 HydrophobicContact CG-CG2 3.67Å; F315-V322 HydrophobicContact CZ-CG2 3.69Å; F315-I327 HydrophobicContact CE1-CG2 4.15Å; F315-A331 HydrophobicContact CE1-CB 3.82Å; F315-A331 HydrophobicContact CE2-CB 4.41Å; F315-A331 HydrophobicContact CZ-CB 3.36Å
316H83Confident76.5Confident22 Ų2277.6 Ų77.610%0.10243%0.431CS..EExtended strand (participates in β ladder)trans-111131.1176.5-167.8-86.9000110.2E300 R301 G304 A318 F319 E320E300-H316 PolarHBondContact O-NE2 2.86Å; R301-H316 PolarHBondContact O-CD2 2.91Å; G304-H316 WeakPolarHBondContact CA-NE2 3.49Å; H316-A318 PolarHBondContact ND1-N 2.9Å; H316-A318 VanDerWaalsContact ND1-N 3.16Å; H316-A318 PolarHBondContact O-N 2.76Å; H316-A318 VanDerWaalsContact O-N 3.09Å; H316-F319 HydrophobicContact CB-CB 4.46Å; H316-F319 HydrophobicContact CB-CD2 3.97Å; H316-F319 AromaticContact CE1-CD2 3.81Å; H316-F319 AromaticContact CE1-CE2 3.62Å; H316-F319 AromaticContact CG-CD2 3.59Å; H316-F319 AromaticContact ND1-CD2 3.21Å; H316-F319 WeakPolarHBondContact ND1-CD2 2.92Å; H316-F319 AromaticContact ND1-CE2 3.54Å; H316-F319 PolarHBondContact O-N 3.22Å; H316-E320 PolarHBondContact O-N 3.28Å
317T80.1Confident75.7Confident85 Ų8576.2 Ų76.252%0.52143%0.427SS..THydrogen-bonded Turntrans-55.5-31.7-176.645.20000114.2G304 R306G304-T317 WeakPolarHBondContact CA-OG1 3.41Å; G304-T317 PolarHBondContact O-N 2.89Å; G304-T317 VanDerWaalsContact O-N 3.07Å; G304-T317 PolarHBondContact O-OG1 2.99Å; R306-T317 HydrophobicContact CG-CG2 3.79Å
318A74.9Confident75.1Confident70 Ų7077.2 Ų77.258%0.57944%0.438SS*.THydrogen-bonded Turntrans-89.6-26.8-178.100000115.5H316H316-A318 PolarHBondContact ND1-N 2.9Å; H316-A318 VanDerWaalsContact ND1-N 3.16Å; H316-A318 PolarHBondContact O-N 2.76Å; H316-A318 VanDerWaalsContact O-N 3.09Å
319F70.1Confident74.7Confident145 Ų14584.8 Ų84.864%0.63647%0.474SS*.THydrogen-bonded Turntrans-112.1-28.6-168.6-56.4-63.9000113.4H316H316-F319 HydrophobicContact CB-CB 4.46Å; H316-F319 HydrophobicContact CB-CD2 3.97Å; H316-F319 AromaticContact CE1-CD2 3.81Å; H316-F319 AromaticContact CE1-CE2 3.62Å; H316-F319 AromaticContact CG-CD2 3.59Å; H316-F319 AromaticContact ND1-CD2 3.21Å; H316-F319 WeakPolarHBondContact ND1-CD2 2.92Å; H316-F319 AromaticContact ND1-CE2 3.54Å; H316-F319 PolarHBondContact O-N 3.22Å
320E65.8Low74.8Confident92 Ų9285.3 Ų85.343%0.4347%0.466SS..  trans-124.689.4-177.9-73.8173165.500107.4F315 H316 V322F315-E320 WeakPolarHBondContact CA-OE2 3.5Å; F315-E320 HydrophobicContact CB-CB 4.07Å; H316-E320 PolarHBondContact O-N 3.28Å; E320-V322 PolarHBondContact O-N 3.2Å
321S59.7Low74.8Confident107 Ų10780.4 Ų80.475%0.74845%0.445SS*.  trans-68.1114.5168.754.60000107.7E323S321-E323 PolarHBondContact O-N 3.26Å; S321-E323 VanDerWaalsContact O-N 3.14Å
322V61.6Low75Confident43 Ų4382 Ų8226%0.26145%0.45SS..  trans-69.4113.9170.3-169.50000107F315 E320 D324 I327F315-V322 HydrophobicContact CB-CG2 4.39Å; F315-V322 HydrophobicContact CD1-CG2 3.76Å; F315-V322 HydrophobicContact CD2-CG2 3.64Å; F315-V322 HydrophobicContact CE1-CG2 3.77Å; F315-V322 HydrophobicContact CE2-CG2 3.65Å; F315-V322 HydrophobicContact CG-CG2 3.67Å; F315-V322 HydrophobicContact CZ-CG2 3.69Å; E320-V322 PolarHBondContact O-N 3.2Å; V322-D324 HydrophobicContact CG1-CB 4.24Å; V322-D324 PolarHBondContact O-N 2.67Å; V322-D324 VanDerWaalsContact O-N 3.14Å; V322-I327 HydrophobicContact CB-CB 4.38Å; V322-I327 HydrophobicContact CB-CG2 4.42Å; V322-I327 HydrophobicContact CG1-CB 3.58Å; V322-I327 HydrophobicContact CG1-CD1 3.75Å; V322-I327 HydrophobicContact CG1-CG1 4.13Å; V322-I327 HydrophobicContact CG1-CG2 3.79Å; V322-I327 HydrophobicContact CG2-CG2 4.25Å
323E66.7Low75.4Confident193 Ų19383.3 Ų83.390%0.90245%0.445SS*.SBendtrans-56.7-28.9-179.9-65-17717000111.7S321 V325S321-E323 PolarHBondContact O-N 3.26Å; S321-E323 VanDerWaalsContact O-N 3.14Å; E323-V325 PolarHBondContact O-N 3.11Å
324D68.9Low75.7Confident84 Ų8482.7 Ų82.745%0.44944%0.436SS..  trans-86.3108.7179.3-167.1-12.3000111.9V322 C326 I327 S328V322-D324 HydrophobicContact CG1-CB 4.24Å; V322-D324 PolarHBondContact O-N 2.67Å; V322-D324 VanDerWaalsContact O-N 3.14Å; D324-C326 PolarHBondContact O-N 3.38Å; D324-C326 VanDerWaalsContact O-N 3.16Å; D324-C326 PolarHBondContact OD1-N 3.37Å; D324-C326 VanDerWaalsContact OD1-N 3.14Å; D324-I327 HydrophobicContact CB-CD1 3.86Å; D324-I327 HydrophobicContact CB-CG1 3.94Å; D324-I327 PolarHBondContact O-N 3.41Å; D324-S328 PolarHBondContact O-N 2.86Å
325V70.7Confident75.9Confident95 Ų9583 Ų8358%0.57645%0.45SS*.Hα-helixtrans-55.5-32.1179.5-176.90000112E323 I327 S328 Q329E323-V325 PolarHBondContact O-N 3.11Å; V325-I327 VanDerWaalsContact C-N 3.29Å; V325-I327 PolarHBondContact O-N 3.31Å; V325-S328 PolarHBondContact O-N 3.31Å; V325-S328 PolarHBondContact O-OG 3.32Å; V325-S328 VanDerWaalsContact O-OG 3.07Å; V325-Q329 PolarHBondContact O-N 3.41Å
326C74.3Confident76.1Confident75 Ų7586.5 Ų86.551%0.50747%0.469SS..Hα-helixtrans-66.9-31.2179-80.20000112.8D324 R330D324-C326 PolarHBondContact O-N 3.38Å; D324-C326 VanDerWaalsContact O-N 3.16Å; D324-C326 PolarHBondContact OD1-N 3.37Å; D324-C326 VanDerWaalsContact OD1-N 3.14Å; C326-R330 WeakPolarHBondContact O-CG 3.38Å
327I73.2Confident76.2Confident26 Ų2685.6 Ų85.613%0.13347%0.465CS..Hα-helixtrans-75.7-39.7-179.6-57.5-179.1000110.2D308 F315 V322 D324 V325 Q329 R330 A331D308-I327 HydrophobicContact CB-CG2 3.87Å; F315-I327 HydrophobicContact CE1-CG2 4.15Å; V322-I327 HydrophobicContact CB-CB 4.38Å; V322-I327 HydrophobicContact CB-CG2 4.42Å; V322-I327 HydrophobicContact CG1-CB 3.58Å; V322-I327 HydrophobicContact CG1-CD1 3.75Å; V322-I327 HydrophobicContact CG1-CG1 4.13Å; V322-I327 HydrophobicContact CG1-CG2 3.79Å; V322-I327 HydrophobicContact CG2-CG2 4.25Å; D324-I327 HydrophobicContact CB-CD1 3.86Å; D324-I327 HydrophobicContact CB-CG1 3.94Å; D324-I327 PolarHBondContact O-N 3.41Å; V325-I327 VanDerWaalsContact C-N 3.29Å; V325-I327 PolarHBondContact O-N 3.31Å; I327-Q329 VanDerWaalsContact C-N 3.33Å; I327-Q329 PolarHBondContact O-N 2.7Å; I327-R330 PolarHBondContact O-N 3.09Å; I327-A331 WeakPolarHBondContact O-CB 3.28Å; I327-A331 PolarHBondContact O-N 3.4Å
328S72.2Confident76.5Confident64 Ų6486.3 Ų86.345%0.44846%0.463SS..Hα-helixtrans-63.9-37.7-179.677.30000112.4D324 V325D324-S328 PolarHBondContact O-N 2.86Å; V325-S328 PolarHBondContact O-N 3.31Å; V325-S328 PolarHBondContact O-OG 3.32Å; V325-S328 VanDerWaalsContact O-OG 3.07Å
329Q78.6Confident77Confident159 Ų15991.1 Ų91.174%0.74347%0.473SS*.Hα-helixtrans-71-31.6-179.2-71.3-175.9-7.200114V325 I327V325-Q329 PolarHBondContact O-N 3.41Å; I327-Q329 VanDerWaalsContact C-N 3.33Å; I327-Q329 PolarHBondContact O-N 2.7Å
330R86.1Confident77.8Confident82 Ų8291 Ų9131%0.30948%0.479SS..Hα-helixtrans-94.5-2.5-179.173.1-173.3-175.1-142.9-1.1113.8D308 P309 C326 I327 L332D308-R330 IonicContact OD1-CZ 3.16Å; D308-R330 IonicContact OD1-NE 2.77Å; D308-R330 PolarHBondContact OD1-NE 3.13Å; D308-R330 IonicContact OD1-NH2 2.75Å; D308-R330 IonicContact OD2-CZ 2.71Å; D308-R330 IonicContact OD2-NE 3.42Å; D308-R330 PolarHBondContact OD2-NE 2.97Å; D308-R330 IonicContact OD2-NH2 3.8Å; D308-R330 PolarHBondContact OD2-NH2 2.75Å; P309-R330 WeakPolarHBondContact CD-O 3.42Å; C326-R330 WeakPolarHBondContact O-CG 3.38Å; I327-R330 PolarHBondContact O-N 3.09Å; R330-L332 PolarHBondContact O-N 2.87Å
331A84.7Confident78.9Confident22 Ų2287.9 Ų87.918%0.18247%0.469CS..  trans-68.6132.8-174.800000111.5R306 M307 F315 I327R306-A331 HydrophobicContact CB-CB 4.07Å; M307-A331 WeakPolarHBondContact O-CA 3.09Å; F315-A331 HydrophobicContact CE1-CB 3.82Å; F315-A331 HydrophobicContact CE2-CB 4.41Å; F315-A331 HydrophobicContact CZ-CB 3.36Å; I327-A331 WeakPolarHBondContact O-CB 3.28Å; I327-A331 PolarHBondContact O-N 3.4Å
332L87.1Confident80.4Confident105 Ų10583 Ų8355%0.5544%0.435SS..BIsolated β-bridgetrans-105.7142.3-177.6-62.2177.4000110.9M307 P309 R330M307-L332 PolarHBondContact N-O 2.87Å; M307-L332 PolarHBondContact O-N 3.43Å; P309-L332 HydrophobicContact CB-CD1 4.07Å; P309-L332 HydrophobicContact CG-CD1 4.12Å; P309-L332 HydrophobicContact CG-CG 4.33Å; R330-L332 PolarHBondContact O-N 2.87Å
333Q87Confident81.8Confident70 Ų7082.5 Ų82.533%0.32744%0.438SS..  trans-87.4138.1163.1-171168.67.700108.5S303 D337S303-Q333 PolarHBondContact O-NE2 3.28Å; Q333-D337 HydrophobicContact CG-CB 4.09Å; Q333-D337 PolarHBondContact NE2-O 2.94Å
334R84.8Confident83Confident88 Ų8876.4 Ų76.433%0.33242%0.416SS..  trans-72.3143.4175.3-55.7-177.689.7-170.35.8108M307 N336 D337M307-R334 HydrophobicContact CE-CG 4.34Å; R334-N336 PolarHBondContact O-N 3.13Å; R334-D337 HydrophobicContact CB-CB 4.46Å; R334-D337 WeakPolarHBondContact O-CA 3.48Å; R334-D337 WeakPolarHBondContact O-CB 3.21Å; R334-D337 PolarHBondContact O-N 2.77Å
335P85Confident83.8Confident98 Ų9874.8 Ų74.864%0.63640%0.404SS*.G310 helixtrans-55.4-31175.6-2532.7000112.6D337 E338P335-D337 PolarHBondContact O-N 3.44Å; P335-E338 WeakPolarHBondContact O-CB 3.21Å; P335-E338 PolarHBondContact O-N 2.72Å
336N83Confident84.9Confident91 Ų9170.4 Ų70.449%0.48738%0.378SS..G310 helixtrans-70.2-11.3177.3-100.2-39.5000114.4R334 K345R334-N336 PolarHBondContact O-N 3.13Å; N336-K345 PolarHBondContact O-NZ 3.06Å; N336-K345 WeakPolarHBondContact OD1-CE 3.29Å; N336-K345 PolarHBondContact OD1-NZ 2.87Å
337D86.2Confident85.8Confident3 Ų370.1 Ų70.12%0.01638%0.377CS..G310 helixtrans-110.49.4-179.3-59.4-20.4000111.4R305 Q333 R334 P335 I342R305-D337 IonicContact CZ-OD1 3.84Å; R305-D337 IonicContact CZ-OD2 2.81Å; R305-D337 IonicContact NE-OD1 2.62Å; R305-D337 IonicContact NE-OD2 3.81Å; R305-D337 PolarHBondContact NE-OD2 3.11Å; R305-D337 IonicContact NH2-OD1 2.84Å; R305-D337 PolarHBondContact NH2-OD1 2.74Å; R305-D337 IonicContact NH2-OD2 3.72Å; R305-D337 PolarHBondContact NH2-OD2 3.11Å; Q333-D337 HydrophobicContact CG-CB 4.09Å; Q333-D337 PolarHBondContact NE2-O 2.94Å; R334-D337 HydrophobicContact CB-CB 4.46Å; R334-D337 WeakPolarHBondContact O-CA 3.48Å; R334-D337 WeakPolarHBondContact O-CB 3.21Å; R334-D337 PolarHBondContact O-N 2.77Å; P335-D337 PolarHBondContact O-N 3.44Å; D337-I342 WeakPolarHBondContact O-CD1 3.23Å
338E86.5Confident86.7Confident100 Ų10076.5 Ų76.547%0.46740%0.399SS..SBendtrans-72.4151.7169.9-67.4175.8-167.600110.7P335 N340 A341 I342P335-E338 WeakPolarHBondContact O-CB 3.21Å; P335-E338 PolarHBondContact O-N 2.72Å; E338-N340 VanDerWaalsContact C-N 3.26Å; E338-N340 PolarHBondContact O-N 3.02Å; E338-N340 VanDerWaalsContact O-N 3.16Å; E338-A341 WeakPolarHBondContact O-CA 3.4Å; E338-A341 PolarHBondContact O-N 3.07Å; E338-I342 WeakPolarHBondContact O-CG1 3.48Å; E338-I342 PolarHBondContact O-N 2.91Å; E338-I342 VanDerWaalsContact O-N 3.1Å
339E84.9Confident87.6Confident172 Ų17274.7 Ų74.780%0.80438%0.383SS*.Hα-helixtrans-52-43.2-173.7-165.8168.5-167.900112.8A341 I342E339-A341 VanDerWaalsContact C-N 3.26Å; E339-A341 PolarHBondContact O-N 3.47Å; E339-I342 PolarHBondContact O-N 3.04Å
340N87.6Confident88.3Confident142 Ų14269.7 Ų69.776%0.75936%0.363SS*.Hα-helixtrans-63.1-29177.8-62.9-27000113.5E338 P344E338-N340 VanDerWaalsContact C-N 3.26Å; E338-N340 PolarHBondContact O-N 3.02Å; E338-N340 VanDerWaalsContact O-N 3.16Å; N340-P344 WeakPolarHBondContact O-CD 3.49Å
341A87.7Confident88.7Confident27 Ų2769.2 Ų69.222%0.22338%0.377CS..Hα-helixtrans-91.7-20.7-178.100000113.2E338 E339 K345E338-A341 WeakPolarHBondContact O-CA 3.4Å; E338-A341 PolarHBondContact O-N 3.07Å; E339-A341 VanDerWaalsContact C-N 3.26Å; E339-A341 PolarHBondContact O-N 3.47Å; A341-K345 WeakPolarHBondContact O-CG 3.48Å
342I91.3Very high89.2Confident4 Ų470.3 Ų70.32%0.02138%0.38CS..Hα-helixtrans-69.7-50-178.2-69.7168.2000110.8L302 D337 E338 E339 K345 L346L302-I342 HydrophobicContact CB-CD1 3.76Å; L302-I342 HydrophobicContact CB-CG1 3.97Å; L302-I342 HydrophobicContact CD1-CG1 4.22Å; L302-I342 HydrophobicContact CD1-CG2 3.95Å; D337-I342 WeakPolarHBondContact O-CD1 3.23Å; E338-I342 WeakPolarHBondContact O-CG1 3.48Å; E338-I342 PolarHBondContact O-N 2.91Å; E338-I342 VanDerWaalsContact O-N 3.1Å; E339-I342 PolarHBondContact O-N 3.04Å; I342-K345 WeakPolarHBondContact O-CB 3.49Å; I342-K345 PolarHBondContact O-N 2.66Å; I342-L346 HydrophobicContact CG2-CD1 3.58Å; I342-L346 HydrophobicContact CG2-CG 4.05Å; I342-L346 WeakPolarHBondContact O-CG 3.18Å; I342-L346 PolarHBondContact O-N 3.41Å; I342-L346 VanDerWaalsContact O-N 3.07Å
343G92Very high89.5Confident32 Ų3268.8 Ų68.833%0.3337%0.367SS..Hα-helixtrans-50.9-58-176.500000113.4K345 L346 S347G343-K345 PolarHBondContact O-N 3.08Å; G343-K345 VanDerWaalsContact O-N 3.15Å; G343-L346 PolarHBondContact O-N 2.98Å; G343-L346 VanDerWaalsContact O-N 3.13Å; G343-S347 PolarHBondContact O-N 3.23Å; G343-S347 PolarHBondContact O-OG 3.31Å
344P90.6Very high89.8Confident66 Ų6669.6 Ų69.643%0.42937%0.374SS..Hα-helixtrans-57.6-31.4179.1-26.835000114.3N340 R348N340-P344 WeakPolarHBondContact O-CD 3.49Å; P344-R348 WeakPolarHBondContact O-CB 3.44Å; P344-R348 VanDerWaalsContact O-CG 3.26Å; P344-R348 WeakPolarHBondContact O-CG 3.47Å; P344-R348 PolarHBondContact O-N 3.3Å; P344-R348 VanDerWaalsContact O-N 3.08Å
345K87.4Confident90.3Very high49 Ų4968.9 Ų68.921%0.21338%0.376CS..Hα-helixtrans-71.9-41.9178-75.7177.8-178.4171.50112.5P190 N336 A341 I342 G343 F349P190-K345 HydrophobicContact CG-CB 4.22Å; N336-K345 PolarHBondContact O-NZ 3.06Å; N336-K345 WeakPolarHBondContact OD1-CE 3.29Å; N336-K345 PolarHBondContact OD1-NZ 2.87Å; A341-K345 WeakPolarHBondContact O-CG 3.48Å; I342-K345 WeakPolarHBondContact O-CB 3.49Å; I342-K345 PolarHBondContact O-N 2.66Å; G343-K345 PolarHBondContact O-N 3.08Å; G343-K345 VanDerWaalsContact O-N 3.15Å; K345-F349 PolarHBondContact O-N 2.84Å
346L92.9Very high90.7Very high4 Ų464.3 Ų64.32%0.02135%0.346CS..Hα-helixtrans-63.9-49.2176.2-63.9175.6000109.4Y189 Q295 A298 L302 I342 G343 R348 F349 T350Y189-L346 HydrophobicContact CD1-CD2 3.8Å; Y189-L346 HydrophobicContact CG-CD2 4.39Å; Q295-L346 HydrophobicContact CG-CB 4.11Å; Q295-L346 HydrophobicContact CG-CD1 3.85Å; Q295-L346 HydrophobicContact CG-CG 4.4Å; A298-L346 HydrophobicContact CB-CD2 4.03Å; L302-L346 HydrophobicContact CD1-CD2 4.5Å; I342-L346 HydrophobicContact CG2-CD1 3.58Å; I342-L346 HydrophobicContact CG2-CG 4.05Å; I342-L346 WeakPolarHBondContact O-CG 3.18Å; I342-L346 PolarHBondContact O-N 3.41Å; I342-L346 VanDerWaalsContact O-N 3.07Å; G343-L346 PolarHBondContact O-N 2.98Å; G343-L346 VanDerWaalsContact O-N 3.13Å; L346-R348 VanDerWaalsContact C-N 3.33Å; L346-R348 PolarHBondContact O-N 3.48Å; L346-F349 PolarHBondContact O-N 3.46Å; L346-F349 VanDerWaalsContact O-N 3.08Å; L346-T350 PolarHBondContact O-N 3.44Å; L346-T350 PolarHBondContact O-OG1 2.93Å; L346-T350 VanDerWaalsContact O-OG1 3.04Å
347S93Very high91.2Very high69 Ų6961 Ų6148%0.48333%0.329SS..Hα-helixtrans-58.1-40.2178.6-55.90000113.4G343 F349 T350 A351G343-S347 PolarHBondContact O-N 3.23Å; G343-S347 PolarHBondContact O-OG 3.31Å; S347-F349 VanDerWaalsContact C-N 3.34Å; S347-F349 PolarHBondContact O-N 2.89Å; S347-T350 PolarHBondContact O-N 2.91Å; S347-A351 WeakPolarHBondContact O-CB 3.33Å; S347-A351 PolarHBondContact O-N 3.27Å
348R91.4Very high91.6Very high160 Ų16066.5 Ų66.560%0.60435%0.354SS*.Hα-helixtrans-62.4-39.6176.4-79.2175.5-167.5165.34.9112.7P344 L346 N352P344-R348 WeakPolarHBondContact O-CB 3.44Å; P344-R348 VanDerWaalsContact O-CG 3.26Å; P344-R348 WeakPolarHBondContact O-CG 3.47Å; P344-R348 PolarHBondContact O-N 3.3Å; P344-R348 VanDerWaalsContact O-N 3.08Å; L346-R348 VanDerWaalsContact C-N 3.33Å; L346-R348 PolarHBondContact O-N 3.48Å; R348-N352 PolarHBondContact O-ND2 2.97Å
349F92.1Very high91.9Very high26 Ų2664.8 Ų64.811%0.11434%0.344CS..Hα-helixtrans-69.1-47.1175.7-177.3-99.1000110.2G188 Y189 L290 K345 L346 S347 A351 N352 R353G188-F349 WeakPolarHBondContact O-CE2 3.5Å; Y189-F349 HydrophobicContact CD1-CB 4.2Å; Y189-F349 AromaticContact CD1-CD1 3.43Å; Y189-F349 HydrophobicContact CD1-CD1 3.43Å; Y189-F349 VanDerWaalsContact CD1-CD1 3.43Å; Y189-F349 HydrophobicContact CD1-CE1 4.22Å; Y189-F349 HydrophobicContact CD1-CG 4.17Å; Y189-F349 HydrophobicContact CD2-CD1 4.22Å; Y189-F349 HydrophobicContact CD2-CE1 4.21Å; Y189-F349 HydrophobicContact CE1-CB 4.43Å; Y189-F349 AromaticContact CE1-CD1 3.55Å; Y189-F349 HydrophobicContact CE1-CD1 3.55Å; Y189-F349 HydrophobicContact CE1-CE1 4.34Å; Y189-F349 HydrophobicContact CE1-CG 4.45Å; Y189-F349 HydrophobicContact CE2-CD1 4.32Å; Y189-F349 HydrophobicContact CE2-CE1 4.33Å; Y189-F349 AromaticContact CG-CD1 3.79Å; Y189-F349 HydrophobicContact CG-CD1 3.79Å; Y189-F349 HydrophobicContact CG-CE1 4.14Å; Y189-F349 AromaticContact CZ-CD1 3.99Å; L290-F349 HydrophobicContact CD1-CZ 4.14Å; K345-F349 PolarHBondContact O-N 2.84Å; L346-F349 PolarHBondContact O-N 3.46Å; L346-F349 VanDerWaalsContact O-N 3.08Å; S347-F349 VanDerWaalsContact C-N 3.34Å; S347-F349 PolarHBondContact O-N 2.89Å; F349-A351 VanDerWaalsContact C-N 3.27Å; F349-A351 PolarHBondContact O-N 3.5Å; F349-N352 PolarHBondContact O-N 2.95Å; F349-N352 VanDerWaalsContact O-N 3.15Å; F349-R353 HydrophobicContact CD1-CB 4.41Å; F349-R353 HydrophobicContact CD1-CG 4.48Å; F349-R353 HydrophobicContact CE1-CB 4.14Å; F349-R353 HydrophobicContact CE1-CG 3.76Å; F349-R353 HydrophobicContact CZ-CB 4.43Å; F349-R353 HydrophobicContact CZ-CG 3.97Å; F349-R353 WeakPolarHBondContact O-CA 3.23Å; F349-R353 VanDerWaalsContact O-CB 3.31Å; F349-R353 WeakPolarHBondContact O-CB 3.3Å; F349-R353 PolarHBondContact O-N 3.49Å
350T93.7Very high92.2Very high53 Ų5356.7 Ų56.733%0.32531%0.306SS..Hα-helixtrans-53.1-45.3177-51.60000111.9Y189 L346 S347 N352 R353Y189-T350 WeakPolarHBondContact CE1-OG1 3.43Å; Y189-T350 PolarHBondContact OH-OG1 3.25Å; L346-T350 PolarHBondContact O-N 3.44Å; L346-T350 PolarHBondContact O-OG1 2.93Å; L346-T350 VanDerWaalsContact O-OG1 3.04Å; S347-T350 PolarHBondContact O-N 2.91Å; T350-N352 VanDerWaalsContact C-N 3.29Å; T350-N352 PolarHBondContact O-N 3.37Å; T350-R353 PolarHBondContact O-N 3.2Å
351A94.5Very high92.1Very high73 Ų7354.6 Ų54.660%0.60330%0.295SS*.Hα-helixtrans-65.3-26.7-177.400000114.6S347 F349S347-A351 WeakPolarHBondContact O-CB 3.33Å; S347-A351 PolarHBondContact O-N 3.27Å; F349-A351 VanDerWaalsContact C-N 3.27Å; F349-A351 PolarHBondContact O-N 3.5Å
352N94.5Very high91.7Very high44 Ų4458 Ų5824%0.23531%0.314CS..Hα-helixtrans-111.1-4.2-177.9-64.7-81000112.9R270 R348 F349 T350 D354 D355 I356R270-N352 VanDerWaalsContact O-CB 3.27Å; R270-N352 WeakPolarHBondContact O-CB 3.44Å; R348-N352 PolarHBondContact O-ND2 2.97Å; F349-N352 PolarHBondContact O-N 2.95Å; F349-N352 VanDerWaalsContact O-N 3.15Å; T350-N352 VanDerWaalsContact C-N 3.29Å; T350-N352 PolarHBondContact O-N 3.37Å; N352-D354 PolarHBondContact O-N 3.08Å; N352-D355 PolarHBondContact O-N 3.34Å; N352-I356 HydrophobicContact CB-CD1 4.26Å; N352-I356 WeakPolarHBondContact O-CD1 3.28Å; N352-I356 VanDerWaalsContact O-CG1 3.26Å; N352-I356 WeakPolarHBondContact O-CG1 3.35Å; N352-I356 PolarHBondContact O-N 3.46Å
353R93Very high91.2Very high73 Ų7361.1 Ų61.128%0.27533%0.327SS..Hα-helixtrans-58.8-51.7-170.4-176.8-168.873.7-179.7-3.6110.6F349 T350 I356 I357F349-R353 HydrophobicContact CD1-CB 4.41Å; F349-R353 HydrophobicContact CD1-CG 4.48Å; F349-R353 HydrophobicContact CE1-CB 4.14Å; F349-R353 HydrophobicContact CE1-CG 3.76Å; F349-R353 HydrophobicContact CZ-CB 4.43Å; F349-R353 HydrophobicContact CZ-CG 3.97Å; F349-R353 WeakPolarHBondContact O-CA 3.23Å; F349-R353 VanDerWaalsContact O-CB 3.31Å; F349-R353 WeakPolarHBondContact O-CB 3.3Å; F349-R353 PolarHBondContact O-N 3.49Å; T350-R353 PolarHBondContact O-N 3.2Å; R353-I356 PolarHBondContact O-N 3.03Å; R353-I357 HydrophobicContact CG-CD1 3.76Å; R353-I357 VanDerWaalsContact O-CG1 3.28Å; R353-I357 WeakPolarHBondContact O-CG1 3.45Å; R353-I357 PolarHBondContact O-N 3.46Å
354D94.1Very high91.1Very high88 Ų8860.4 Ų60.447%0.47132%0.316SS..Hα-helixtrans-69.8-38.8-171.5-59.9-23.8000110.4N352 I356 I357 E358N352-D354 PolarHBondContact O-N 3.08Å; D354-I356 VanDerWaalsContact C-N 3.34Å; D354-I356 PolarHBondContact O-N 3.19Å; D354-I357 PolarHBondContact O-N 2.99Å; D354-E358 WeakPolarHBondContact O-CB 3.44Å; D354-E358 PolarHBondContact O-N 3.07Å
355D95.3Very high91.1Very high72 Ų7259.7 Ų59.739%0.38531%0.31SS..Hα-helixtrans-61.4-38175.6-60.5-9.3000113.3R272 N352 Y359R272-D355 HydrophobicContact CB-CB 4.11Å; N352-D355 PolarHBondContact O-N 3.34Å; D355-Y359 PolarHBondContact O-N 2.93Å; D355-Y359 VanDerWaalsContact O-N 3.14Å
356I93.9Very high91.4Very high2 Ų263.7 Ų63.71%0.0133%0.327CS..Hα-helixtrans-72.7-40.7177-62.6164.4000110.2L187 P269 R270 N352 R353 D354 E358 Y359 Y360L187-I356 HydrophobicContact CD1-CG2 3.66Å; L187-I356 HydrophobicContact CD2-CG2 4.34Å; P269-I356 HydrophobicContact CG-CG2 4.43Å; R270-I356 WeakPolarHBondContact O-CD1 3.24Å; N352-I356 HydrophobicContact CB-CD1 4.26Å; N352-I356 WeakPolarHBondContact O-CD1 3.28Å; N352-I356 VanDerWaalsContact O-CG1 3.26Å; N352-I356 WeakPolarHBondContact O-CG1 3.35Å; N352-I356 PolarHBondContact O-N 3.46Å; R353-I356 PolarHBondContact O-N 3.03Å; D354-I356 VanDerWaalsContact C-N 3.34Å; D354-I356 PolarHBondContact O-N 3.19Å; I356-E358 VanDerWaalsContact C-N 3.34Å; I356-Y359 PolarHBondContact O-N 3.16Å; I356-Y360 HydrophobicContact CG2-CD2 3.89Å; I356-Y360 HydrophobicContact CG2-CE2 3.96Å; I356-Y360 VanDerWaalsContact O-CD2 3.3Å; I356-Y360 WeakPolarHBondContact O-CD2 3.49Å; I356-Y360 PolarHBondContact O-N 2.95Å
357I93Very high91.4Very high22 Ų2263.6 Ų63.611%0.11333%0.327CS..Hα-helixtrans-61.2-48.4177-69.1167.1000109.4L290 R353 D354 Y359 Y360 D361 V364L290-I357 HydrophobicContact CD2-CD1 3.53Å; L290-I357 HydrophobicContact CD2-CG1 4.11Å; R353-I357 HydrophobicContact CG-CD1 3.76Å; R353-I357 VanDerWaalsContact O-CG1 3.28Å; R353-I357 WeakPolarHBondContact O-CG1 3.45Å; R353-I357 PolarHBondContact O-N 3.46Å; D354-I357 PolarHBondContact O-N 2.99Å; I357-Y359 VanDerWaalsContact C-N 3.27Å; I357-Y359 PolarHBondContact O-N 3.12Å; I357-Y360 CarbonylContact O-C 3.57Å; I357-Y360 PolarHBondContact O-N 3.41Å; I357-D361 PolarHBondContact O-N 2.83Å; I357-V364 HydrophobicContact CG2-CG2 4.45Å
358E94Very high91.4Very high118 Ų11865.4 Ų65.455%0.55133%0.328SS*.Hα-helixtrans-57-41.5178-169.1-15912400111.5R272 D354 I356 Y360 D361R272-E358 IonicContact CZ-OE1 2.67Å; R272-E358 VanDerWaalsContact NH1-CD 3.33Å; R272-E358 IonicContact NH1-OE1 3.92Å; R272-E358 PolarHBondContact NH1-OE1 3.48Å; R272-E358 IonicContact NH1-OE2 3.72Å; R272-E358 IonicContact NH2-OE1 2.91Å; D354-E358 WeakPolarHBondContact O-CB 3.44Å; D354-E358 PolarHBondContact O-N 3.07Å; I356-E358 VanDerWaalsContact C-N 3.34Å; E358-Y360 VanDerWaalsContact C-N 3.26Å; E358-Y360 PolarHBondContact O-N 2.79Å; E358-D361 PolarHBondContact O-N 3.44Å
359Y93.4Very high91.5Very high64 Ų6457.9 Ų57.925%0.25130%0.299SS..Hα-helixtrans-60.9-34.6177.6-174.2-94.6000113.3R272 A275 E276 S279 D355 I356 I357R272-Y359 HydrophobicContact CG-CD2 4.22Å; A275-Y359 HydrophobicContact CB-CD1 3.5Å; A275-Y359 HydrophobicContact CB-CE1 3.69Å; A275-Y359 HydrophobicContact CB-CG 4.08Å; E276-Y359 HydrophobicContact CG-CD2 4.09Å; E276-Y359 HydrophobicContact CG-CE2 3.45Å; E276-Y359 VanDerWaalsContact CG-CE2 3.45Å; S279-Y359 WeakPolarHBondContact CB-OH 3.37Å; S279-Y359 PolarHBondContact OG-OH 3.45Å; D355-Y359 PolarHBondContact O-N 2.93Å; D355-Y359 VanDerWaalsContact O-N 3.14Å; I356-Y359 PolarHBondContact O-N 3.16Å; I357-Y359 VanDerWaalsContact C-N 3.27Å; I357-Y359 PolarHBondContact O-N 3.12Å
360Y90.6Very high91.4Very high2 Ų260.6 Ų60.61%0.00832%0.315CS..Hα-helixtrans-101.22.8-179.1-69.6-65.7000113.7L187 P269 A275 P285 V288 I356 I357 E358 Y363 V364 F393L187-Y360 HydrophobicContact CD1-CD2 4.5Å; P269-Y360 HydrophobicContact CG-CE2 3.96Å; A275-Y360 HydrophobicContact CB-CE2 3.88Å; P285-Y360 HydrophobicContact CG-CE1 4.03Å; V288-Y360 HydrophobicContact CB-CG 4.41Å; V288-Y360 HydrophobicContact CG1-CD2 4.05Å; V288-Y360 HydrophobicContact CG1-CG 4.12Å; V288-Y360 HydrophobicContact CG2-CD1 3.7Å; V288-Y360 HydrophobicContact CG2-CD2 4.42Å; V288-Y360 HydrophobicContact CG2-CE1 4Å; V288-Y360 HydrophobicContact CG2-CG 3.92Å; I356-Y360 HydrophobicContact CG2-CD2 3.89Å; I356-Y360 HydrophobicContact CG2-CE2 3.96Å; I356-Y360 VanDerWaalsContact O-CD2 3.3Å; I356-Y360 WeakPolarHBondContact O-CD2 3.49Å; I356-Y360 PolarHBondContact O-N 2.95Å; I357-Y360 CarbonylContact O-C 3.57Å; I357-Y360 PolarHBondContact O-N 3.41Å; E358-Y360 VanDerWaalsContact C-N 3.26Å; E358-Y360 PolarHBondContact O-N 2.79Å; Y360-Y363 WeakPolarHBondContact O-CA 3.33Å; Y360-Y363 WeakPolarHBondContact O-CB 3.41Å; Y360-Y363 WeakPolarHBondContact O-CD2 3.38Å; Y360-Y363 PolarHBondContact O-N 2.9Å; Y360-V364 VanDerWaalsContact CB-CG2 3.45Å; Y360-V364 PolarHBondContact O-N 3.12Å; Y360-F393 HydrophobicContact CD1-CE1 4.1Å; Y360-F393 HydrophobicContact CE1-CE1 4.46Å
361D85.4Confident91.2Very high99 Ų9963.9 Ų63.953%0.52932%0.322SS..THydrogen-bonded Turntrans-70.4148.1179-156.861000111I357 E358 Y363I357-D361 PolarHBondContact O-N 2.83Å; E358-D361 PolarHBondContact O-N 3.44Å; D361-Y363 VanDerWaalsContact C-N 3.3Å
362P79.5Confident91Very high97 Ų9764.5 Ų64.563%0.6332%0.315SS*.THydrogen-bonded Turncis-82.720.1-2.935.5-39.2000115.1
363Y80.4Confident90.8Very high71 Ų7165.9 Ų65.928%0.27832%0.321SS..  trans-100.7-0.5-162.1-45.4-78.2000114.8Y360 D361 V365 P389 F391Y360-Y363 WeakPolarHBondContact O-CA 3.33Å; Y360-Y363 WeakPolarHBondContact O-CB 3.41Å; Y360-Y363 WeakPolarHBondContact O-CD2 3.38Å; Y360-Y363 PolarHBondContact O-N 2.9Å; D361-Y363 VanDerWaalsContact C-N 3.3Å; Y363-V365 PolarHBondContact O-N 3.19Å; Y363-P389 HydrophobicContact CD1-CB 3.91Å; Y363-P389 HydrophobicContact CD1-CG 4.1Å; Y363-P389 HydrophobicContact CE1-CB 4.37Å; Y363-F391 VanDerWaalsContact CB-CE2 3.49Å; Y363-F391 HydrophobicContact CD1-CD2 4.07Å; Y363-F391 AromaticContact CD1-CE1 3.98Å; Y363-F391 HydrophobicContact CD1-CE1 3.98Å; Y363-F391 AromaticContact CD1-CE2 3.47Å; Y363-F391 HydrophobicContact CD1-CE2 3.47Å; Y363-F391 VanDerWaalsContact CD1-CE2 3.47Å; Y363-F391 AromaticContact CD1-CZ 3.42Å; Y363-F391 HydrophobicContact CD1-CZ 3.42Å; Y363-F391 VanDerWaalsContact CD1-CZ 3.42Å; Y363-F391 HydrophobicContact CD2-CD1 4.43Å; Y363-F391 AromaticContact CD2-CE1 3.31Å; Y363-F391 HydrophobicContact CD2-CE1 3.31Å; Y363-F391 AromaticContact CD2-CE2 3.98Å; Y363-F391 HydrophobicContact CD2-CE2 3.98Å; Y363-F391 AromaticContact CD2-CZ 3.04Å; Y363-F391 HydrophobicContact CD2-CZ 3.04Å; Y363-F391 HydrophobicContact CE1-CD1 4.28Å; Y363-F391 HydrophobicContact CE1-CD2 4.33Å; Y363-F391 AromaticContact CE1-CE1 3.97Å; Y363-F391 HydrophobicContact CE1-CE1 3.97Å; Y363-F391 HydrophobicContact CE1-CE2 4.09Å; Y363-F391 HydrophobicContact CE1-CG 4.44Å; Y363-F391 AromaticContact CE1-CZ 3.9Å; Y363-F391 HydrophobicContact CE1-CZ 3.9Å; Y363-F391 HydrophobicContact CE2-CD1 4.13Å; Y363-F391 AromaticContact CE2-CE1 3.29Å; Y363-F391 HydrophobicContact CE2-CE1 3.29Å; Y363-F391 AromaticContact CE2-CZ 3.56Å; Y363-F391 HydrophobicContact CE2-CZ 3.56Å; Y363-F391 HydrophobicContact CG-CD2 4.37Å; Y363-F391 AromaticContact CG-CE1 3.64Å; Y363-F391 HydrophobicContact CG-CE1 3.64Å; Y363-F391 AromaticContact CG-CE2 3.38Å; Y363-F391 HydrophobicContact CG-CE2 3.38Å; Y363-F391 AromaticContact CG-CZ 2.93Å; Y363-F391 HydrophobicContact CG-CZ 2.93Å; Y363-F391 AromaticContact CZ-CE1 3.63Å; Y363-F391 AromaticContact CZ-CZ 3.96Å
364V89.8Confident90.8Very high17 Ų1768.4 Ų68.410%0.10334%0.336CS..EExtended strand (participates in β ladder)trans-71.8118.8176.2-179.80000109.4V288 L290 I357 Y360 K366V288-V364 HydrophobicContact CG1-CG2 4.19Å; L290-V364 HydrophobicContact CB-CG1 3.66Å; I357-V364 HydrophobicContact CG2-CG2 4.45Å; Y360-V364 VanDerWaalsContact CB-CG2 3.45Å; Y360-V364 PolarHBondContact O-N 3.12Å; V364-K366 HydrophobicContact CG1-CG 4.48Å
365V91.7Very high90.7Very high51 Ų5166.2 Ų66.231%0.30933%0.326SS..EExtended strand (participates in β ladder)trans-85.3116.2170.8-175.40000108.5V288 I289 L290 Y363 V367 A383V288-V365 PolarHBondContact O-N 3.26Å; I289-V365 CarbonylContact C-O 3.49Å; I289-V365 WeakPolarHBondContact CA-O 3.38Å; L290-V365 PolarHBondContact N-O 3.3Å; Y363-V365 PolarHBondContact O-N 3.19Å; V365-V367 HydrophobicContact CG1-CG2 4.4Å; V365-A383 HydrophobicContact CB-CB 4.34Å; V365-A383 HydrophobicContact CG1-CB 3.79Å; V365-A383 HydrophobicContact CG2-CB 4.39Å
366K93.1Very high90.7Very high132 Ų13263 Ų6357%0.57431%0.309SS*.EExtended strand (participates in β ladder)trans-87.6126.4176.2-60.5-178.3-178.1172.80109.2L290 V364L290-K366 HydrophobicContact CB-CG 4.5Å; L290-K366 HydrophobicContact CD2-CG 4.19Å; V364-K366 HydrophobicContact CG1-CG 4.48Å
367V94.3Very high90.7Very high3 Ų364.1 Ų64.12%0.01831%0.313CS..EExtended strand (participates in β ladder)trans-118.4130.8179.5169.10000108.6I289 L290 D292 V365 A369 V376 E379 I380I289-V367 HydrophobicContact CG2-CB 4.28Å; I289-V367 HydrophobicContact CG2-CG2 3.65Å; L290-V367 PolarHBondContact O-N 2.75Å; D292-V367 PolarHBondContact N-O 3.03Å; V365-V367 HydrophobicContact CG1-CG2 4.4Å; V367-A369 PolarHBondContact O-N 3.03Å; V367-A369 VanDerWaalsContact O-N 3.09Å; V367-V376 HydrophobicContact CG1-CG1 4.06Å; V367-E379 HydrophobicContact CG1-CB 3.85Å; V367-E379 WeakPolarHBondContact CG1-OE2 3.46Å; V367-E379 HydrophobicContact CG2-CB 4.41Å; V367-I380 HydrophobicContact CB-CG1 4.47Å; V367-I380 HydrophobicContact CG1-CG1 4.02Å; V367-I380 HydrophobicContact CG2-CG1 4.1Å
368H92.6Very high90.7Very high107 Ų10768.6 Ų68.650%0.49533%0.334SS..EExtended strand (participates in β ladder)trans-78.497178-72.9-63.5000109.7D370 E379H368-D370 VanDerWaalsContact C-N 3.34Å; H368-D370 PolarHBondContact O-N 3.25Å; H368-E379 PolarHBondContact N-OE2 3.11Å
369A92.4Very high90.7Very high1 Ų165.4 Ų65.41%0.00832%0.319CS..  trans-91.99.2-172.700000114.1M291 D292 V293 R301 V367 R371 V376M291-A369 HydrophobicContact CB-CB 3.79Å; M291-A369 HydrophobicContact CE-CB 3.72Å; M291-A369 HydrophobicContact CG-CB 4.42Å; D292-A369 PolarHBondContact O-N 3.14Å; V293-A369 HydrophobicContact CG2-CB 3.41Å; V293-A369 VanDerWaalsContact CG2-CB 3.41Å; R301-A369 PolarHBondContact NH1-O 3.36Å; R301-A369 PolarHBondContact NH2-O 3.06Å; R301-A369 VanDerWaalsContact NH2-O 3.09Å; V367-A369 PolarHBondContact O-N 3.03Å; V367-A369 VanDerWaalsContact O-N 3.09Å; A369-R371 PolarHBondContact O-N 2.92Å; A369-V376 HydrophobicContact CB-CG1 4.05Å; A369-V376 HydrophobicContact CB-CG2 4.4Å
370D90.8Very high90.6Very high84 Ų8462.3 Ų62.345%0.44931%0.307SS..SBendtrans-89.346.4171.6-155.521000112.9V293 C297 R301 H368V293-D370 HydrophobicContact CG1-CB 4.49Å; C297-D370 PolarHBondContact SG-OD2 3.12Å; R301-D370 IonicContact CZ-OD1 3.59Å; R301-D370 IonicContact NH2-OD1 3.59Å; R301-D370 PolarHBondContact NH2-OD1 3.41Å; H368-D370 VanDerWaalsContact C-N 3.34Å; H368-D370 PolarHBondContact O-N 3.25Å
371R89.9Confident90.6Very high121 Ų12163.8 Ų63.846%0.45731%0.314SS..SBendtrans-136.9-180179.4-60.5-174.7-175.7162.79.7109.7A369 T375 V376 E379A369-R371 PolarHBondContact O-N 2.92Å; R371-T375 HydrophobicContact CB-CG2 4.41Å; R371-V376 HydrophobicContact CB-CG2 3.99Å; R371-E379 IonicContact CZ-OE1 2.75Å; R371-E379 IonicContact NH1-OE1 3.94Å; R371-E379 PolarHBondContact NH1-OE1 3.24Å; R371-E379 IonicContact NH2-OE1 3.08Å
372D90.1Very high90.7Very high87 Ų8762.8 Ų62.847%0.46531%0.311SS..  trans-61.9158.2174.171.5-82.4000112H374 T375 V376D372-H374 PolarHBondContact O-N 3.13Å; D372-H374 WeakPolarHBondContact OD2-CA 3.37Å; D372-H374 WeakPolarHBondContact OD2-CB 3.27Å; D372-H374 PolarHBondContact OD2-N 2.72Å; D372-T375 VanDerWaalsContact CG-OG1 3.3Å; D372-T375 PolarHBondContact O-N 3Å; D372-T375 WeakPolarHBondContact OD1-CB 3.48Å; D372-T375 PolarHBondContact OD1-OG1 2.87Å; D372-T375 PolarHBondContact OD2-N 2.81Å; D372-T375 PolarHBondContact OD2-OG1 3.43Å; D372-V376 WeakPolarHBondContact O-CG2 3.43Å; D372-V376 PolarHBondContact O-N 2.79Å
373I90.1Very high90.9Very high72 Ų7258.6 Ų58.637%0.36929%0.285SS..Hα-helixtrans-59.2-36-172.6-62.4170.8000111.8T196 Q197 L200 Y377T196-I373 HydrophobicContact CG2-CD1 4.46Å; T196-I373 HydrophobicContact CG2-CG2 4.03Å; Q197-I373 PolarHBondContact NE2-O 3.46Å; L200-I373 HydrophobicContact CD1-CG2 3.68Å; I373-Y377 VanDerWaalsContact O-CB 3.31Å; I373-Y377 WeakPolarHBondContact O-CB 2.92Å; I373-Y377 PolarHBondContact O-N 3.12Å
374H92Very high91Very high126 Ų12656.4 Ų56.458%0.58328%0.278SS*.Hα-helixtrans-77.4-43.7-175.3-68.8-70000111.9D372 V376 Y377 E378D372-H374 PolarHBondContact O-N 3.13Å; D372-H374 WeakPolarHBondContact OD2-CA 3.37Å; D372-H374 WeakPolarHBondContact OD2-CB 3.27Å; D372-H374 PolarHBondContact OD2-N 2.72Å; H374-V376 VanDerWaalsContact C-N 3.3Å; H374-V376 PolarHBondContact O-N 3.45Å; H374-Y377 WeakPolarHBondContact O-CA 3.44Å; H374-Y377 WeakPolarHBondContact O-CB 3.23Å; H374-Y377 PolarHBondContact O-N 3.24Å; H374-Y377 VanDerWaalsContact O-N 3.08Å; H374-E378 WeakPolarHBondContact O-CG 3.17Å; H374-E378 PolarHBondContact O-N 3.01Å
375T93.4Very high90.4Very high43 Ų4360.3 Ų60.326%0.26430%0.301SS..Hα-helixtrans-60-42.9175.1-59.80000111.3R371 D372 Y377 E378 E379R371-T375 HydrophobicContact CB-CG2 4.41Å; D372-T375 VanDerWaalsContact CG-OG1 3.3Å; D372-T375 PolarHBondContact O-N 3Å; D372-T375 WeakPolarHBondContact OD1-CB 3.48Å; D372-T375 PolarHBondContact OD1-OG1 2.87Å; D372-T375 PolarHBondContact OD2-N 2.81Å; D372-T375 PolarHBondContact OD2-OG1 3.43Å; T375-Y377 VanDerWaalsContact C-N 3.3Å; T375-Y377 PolarHBondContact O-N 3.17Å; T375-E378 PolarHBondContact O-N 2.97Å; T375-E379 PolarHBondContact O-N 2.85Å; T375-E379 VanDerWaalsContact O-N 3.09Å
376V94.1Very high89.4Confident4 Ų462.3 Ų62.32%0.02431%0.31CS..Hα-helixtrans-64.6-38.4176.1178.30000111Q197 M291 V367 A369 R371 D372 H374 E379 I380Q197-V376 HydrophobicContact CG-CG1 4.26Å; M291-V376 HydrophobicContact CE-CG1 3.78Å; V367-V376 HydrophobicContact CG1-CG1 4.06Å; A369-V376 HydrophobicContact CB-CG1 4.05Å; A369-V376 HydrophobicContact CB-CG2 4.4Å; R371-V376 HydrophobicContact CB-CG2 3.99Å; D372-V376 WeakPolarHBondContact O-CG2 3.43Å; D372-V376 PolarHBondContact O-N 2.79Å; H374-V376 VanDerWaalsContact C-N 3.3Å; H374-V376 PolarHBondContact O-N 3.45Å; V376-E379 PolarHBondContact O-N 2.83Å; V376-I380 HydrophobicContact CG1-CD1 3.93Å; V376-I380 VanDerWaalsContact O-CG1 3.26Å; V376-I380 WeakPolarHBondContact O-CG1 3.5Å; V376-I380 PolarHBondContact O-N 3.1Å
377Y94.5Very high88Confident25 Ų2559.6 Ų59.610%0.09831%0.306CS..Hα-helixtrans-62.8-43.5176.6177.9-101.2000112.1Q197 L200 L201 K204 I373 H374 T375 I380 E381Q197-Y377 VanDerWaalsContact OE1-CA 3.27Å; Q197-Y377 VanDerWaalsContact OE1-CB 3.31Å; L200-Y377 HydrophobicContact CB-CD2 3.6Å; L200-Y377 HydrophobicContact CB-CE2 3.47Å; L200-Y377 VanDerWaalsContact CB-CE2 3.47Å; L200-Y377 HydrophobicContact CD1-CD2 3.97Å; L200-Y377 HydrophobicContact CD1-CG 4.34Å; L200-Y377 HydrophobicContact CG-CD2 4.43Å; L201-Y377 HydrophobicContact CD2-CD2 4.46Å; L201-Y377 HydrophobicContact CD2-CE2 3.74Å; L201-Y377 HydrophobicContact CG-CE2 4.05Å; K204-Y377 VanDerWaalsContact CB-OH 3.23Å; K204-Y377 WeakPolarHBondContact CB-OH 3.35Å; K204-Y377 HydrophobicContact CD-CE1 4.32Å; K204-Y377 WeakPolarHBondContact CD-OH 3.39Å; I373-Y377 VanDerWaalsContact O-CB 3.31Å; I373-Y377 WeakPolarHBondContact O-CB 2.92Å; I373-Y377 PolarHBondContact O-N 3.12Å; H374-Y377 WeakPolarHBondContact O-CA 3.44Å; H374-Y377 WeakPolarHBondContact O-CB 3.23Å; H374-Y377 PolarHBondContact O-N 3.24Å; H374-Y377 VanDerWaalsContact O-N 3.08Å; T375-Y377 VanDerWaalsContact C-N 3.3Å; T375-Y377 PolarHBondContact O-N 3.17Å; Y377-I380 PolarHBondContact O-N 3.44Å; Y377-E381 VanDerWaalsContact O-CB 3.26Å; Y377-E381 WeakPolarHBondContact O-CB 3.4Å; Y377-E381 PolarHBondContact O-N 3.49Å
378E93.4Very high86.6Confident117 Ų11762 Ų6255%0.54732%0.319SS..Hα-helixtrans-63.3-42.9177-71.2178.1-178.200112H374 T375 I380 E381 T382H374-E378 WeakPolarHBondContact O-CG 3.17Å; H374-E378 PolarHBondContact O-N 3.01Å; T375-E378 PolarHBondContact O-N 2.97Å; E378-I380 VanDerWaalsContact C-N 3.34Å; E378-I380 PolarHBondContact O-N 3.46Å; E378-E381 PolarHBondContact O-N 2.88Å; E378-T382 WeakPolarHBondContact O-CG2 3.04Å; E378-T382 PolarHBondContact O-N 3.28Å; E378-T382 PolarHBondContact O-OG1 3.44Å
379E92.5Very high85Confident50 Ų5059.2 Ų59.223%0.23431%0.31CS..Hα-helixtrans-61.4-42174.4-75.5-171-172.100111.9V367 H368 R371 T375 V376 T382 A383V367-E379 HydrophobicContact CG1-CB 3.85Å; V367-E379 WeakPolarHBondContact CG1-OE2 3.46Å; V367-E379 HydrophobicContact CG2-CB 4.41Å; H368-E379 PolarHBondContact N-OE2 3.11Å; R371-E379 IonicContact CZ-OE1 2.75Å; R371-E379 IonicContact NH1-OE1 3.94Å; R371-E379 PolarHBondContact NH1-OE1 3.24Å; R371-E379 IonicContact NH2-OE1 3.08Å; T375-E379 PolarHBondContact O-N 2.85Å; T375-E379 VanDerWaalsContact O-N 3.09Å; V376-E379 PolarHBondContact O-N 2.83Å; E379-T382 PolarHBondContact O-OG1 3.06Å; E379-A383 PolarHBondContact O-N 2.78Å
380I92.7Very high83Confident0 Ų064.6 Ų64.60%033%0.33CS..Hα-helixtrans-66-41.2175.9-68.7172.4000111Q197 L201 I289 M291 V367 V376 Y377 E378 A383 I384Q197-I380 HydrophobicContact CB-CD1 3.83Å; Q197-I380 HydrophobicContact CG-CD1 3.7Å; L201-I380 HydrophobicContact CD1-CG2 3.77Å; L201-I380 HydrophobicContact CD2-CG2 4.3Å; L201-I380 HydrophobicContact CG-CG2 4.41Å; I289-I380 HydrophobicContact CD1-CG2 3.82Å; I289-I380 HydrophobicContact CG2-CG1 4.3Å; M291-I380 HydrophobicContact CE-CD1 4.31Å; M291-I380 HydrophobicContact CG-CD1 4.49Å; M291-I380 HydrophobicContact SD-CD1 4.37Å; V367-I380 HydrophobicContact CB-CG1 4.47Å; V367-I380 HydrophobicContact CG1-CG1 4.02Å; V367-I380 HydrophobicContact CG2-CG1 4.1Å; V376-I380 HydrophobicContact CG1-CD1 3.93Å; V376-I380 VanDerWaalsContact O-CG1 3.26Å; V376-I380 WeakPolarHBondContact O-CG1 3.5Å; V376-I380 PolarHBondContact O-N 3.1Å; Y377-I380 PolarHBondContact O-N 3.44Å; E378-I380 VanDerWaalsContact C-N 3.34Å; E378-I380 PolarHBondContact O-N 3.46Å; I380-A383 WeakPolarHBondContact O-CB 3.3Å; I380-A383 PolarHBondContact O-N 2.82Å; I380-I384 HydrophobicContact CG2-CD1 4.02Å; I380-I384 WeakPolarHBondContact O-CG1 3.33Å; I380-I384 PolarHBondContact O-N 2.65Å; I380-I384 VanDerWaalsContact O-N 3.15Å
381E90.1Very high81.4Confident33 Ų3363.1 Ų63.115%0.15432%0.32CS..Hα-helixtrans-63.1-45.3179172.3158.1-97.900111.7K204 Y205 Y377 E378 A383 I384 V385K204-E381 VanDerWaalsContact CD-OE1 3.31Å; K204-E381 WeakPolarHBondContact CD-OE1 3.31Å; K204-E381 WeakPolarHBondContact CE-OE1 3.36Å; K204-E381 IonicContact NZ-OE1 2.77Å; K204-E381 PolarHBondContact NZ-OE1 3.35Å; K204-E381 IonicContact NZ-OE2 2.78Å; K204-E381 PolarHBondContact NZ-OE2 3.02Å; Y205-E381 VanDerWaalsContact CE2-OE1 3.32Å; Y205-E381 WeakPolarHBondContact CE2-OE1 3.23Å; Y205-E381 VanDerWaalsContact CZ-OE1 3.26Å; Y205-E381 VanDerWaalsContact OH-CD 3.26Å; Y205-E381 WeakPolarHBondContact OH-CG 3.46Å; Y205-E381 PolarHBondContact OH-OE1 3.41Å; Y377-E381 VanDerWaalsContact O-CB 3.26Å; Y377-E381 WeakPolarHBondContact O-CB 3.4Å; Y377-E381 PolarHBondContact O-N 3.49Å; E378-E381 PolarHBondContact O-N 2.88Å; E381-A383 PolarHBondContact O-N 2.88Å; E381-I384 PolarHBondContact O-N 2.63Å; E381-V385 HydrophobicContact CG-CG2 4.18Å; E381-V385 WeakPolarHBondContact O-CG2 3.21Å; E381-V385 PolarHBondContact O-N 3.06Å
382T87.2Confident79.4Confident77 Ų7763.8 Ų63.847%0.47233%0.332SS..Hα-helixtrans-59.2-39175.357.50000111.4E378 E379 I384 V385 N386E378-T382 WeakPolarHBondContact O-CG2 3.04Å; E378-T382 PolarHBondContact O-N 3.28Å; E378-T382 PolarHBondContact O-OG1 3.44Å; E379-T382 PolarHBondContact O-OG1 3.06Å; T382-I384 VanDerWaalsContact C-N 3.28Å; T382-I384 PolarHBondContact O-N 3.26Å; T382-V385 PolarHBondContact O-N 3.15Å; T382-N386 VanDerWaalsContact O-CB 3.26Å; T382-N386 WeakPolarHBondContact O-CB 3.15Å; T382-N386 PolarHBondContact O-N 3.32Å; T382-N386 PolarHBondContact O-ND2 3.27Å
383A84.5Confident77.6Confident9 Ų962.1 Ų62.17%0.07432%0.321CS..Hα-helixtrans-61-36174.800000112.7R287 I289 V365 E379 I380 E381R287-A383 PolarHBondContact NE-O 3.22Å; I289-A383 HydrophobicContact CD1-CB 4.26Å; V365-A383 HydrophobicContact CB-CB 4.34Å; V365-A383 HydrophobicContact CG1-CB 3.79Å; V365-A383 HydrophobicContact CG2-CB 4.39Å; E379-A383 PolarHBondContact O-N 2.78Å; I380-A383 WeakPolarHBondContact O-CB 3.3Å; I380-A383 PolarHBondContact O-N 2.82Å; E381-A383 PolarHBondContact O-N 2.88Å
384I82Confident75.4Confident26 Ų2663.2 Ų63.213%0.13333%0.331CS..Hα-helixtrans-75.7-42.4179.1-65163.6000111.4I184 L201 I289 I380 E381 T382I184-I384 HydrophobicContact CD1-CD1 3.5Å; I184-I384 HydrophobicContact CD1-CG1 3.77Å; L201-I384 HydrophobicContact CD1-CD1 3.75Å; L201-I384 HydrophobicContact CD2-CD1 3.45Å; L201-I384 VanDerWaalsContact CD2-CD1 3.45Å; L201-I384 HydrophobicContact CG-CD1 4.24Å; I289-I384 HydrophobicContact CD1-CG1 4.39Å; I380-I384 HydrophobicContact CG2-CD1 4.02Å; I380-I384 WeakPolarHBondContact O-CG1 3.33Å; I380-I384 PolarHBondContact O-N 2.65Å; I380-I384 VanDerWaalsContact O-N 3.15Å; E381-I384 PolarHBondContact O-N 2.63Å; T382-I384 VanDerWaalsContact C-N 3.28Å; T382-I384 PolarHBondContact O-N 3.26Å
385V76.3Confident72.8Confident98 Ų9870.1 Ų70.159%0.59436%0.359SS*.Hα-helixtrans-75.8-28.9-175.4176.80000112.4E381 T382E381-V385 HydrophobicContact CG-CG2 4.18Å; E381-V385 WeakPolarHBondContact O-CG2 3.21Å; E381-V385 PolarHBondContact O-N 3.06Å; T382-V385 PolarHBondContact O-N 3.15Å
386N71.5Confident71.7Confident94 Ų9471.5 Ų71.550%0.50336%0.364SS..SBendtrans-64.3152.6178.2-77.1-25.7000112.2R287 T382R287-N386 PolarHBondContact NH2-O 2.73Å; T382-N386 VanDerWaalsContact O-CB 3.26Å; T382-N386 WeakPolarHBondContact O-CB 3.15Å; T382-N386 PolarHBondContact O-N 3.32Å; T382-N386 PolarHBondContact O-ND2 3.27Å
387P63.9Low70.6Confident74 Ų7475 Ų7548%0.48138%0.382SS..PPolyproline II helixtrans-51.3142.9-178.9-25.133000112.8C173 R287C173-P387 HydrophobicContact CB-CB 4.47Å; R287-P387 VanDerWaalsContact NH2-C 3.29Å; R287-P387 PolarHBondContact NH2-O 3Å
388L64Low69.2Low55 Ų5577.8 Ų77.829%0.28840%0.398SS..PPolyproline II helixtrans-61.1137.2174.9-53.1178.5000110C173 Q180 T286 R287C173-L388 WeakPolarHBondContact CB-O 3.34Å; C173-L388 PolarHBondContact SG-O 3.45Å; Q180-L388 HydrophobicContact CB-CD1 4.42Å; Q180-L388 HydrophobicContact CG-CD1 4.33Å; Q180-L388 VanDerWaalsContact OE1-CD1 3.25Å; T286-L388 HydrophobicContact CG2-CD1 3.51Å; T286-L388 HydrophobicContact CG2-CD2 3.41Å; T286-L388 VanDerWaalsContact CG2-CD2 3.41Å; T286-L388 HydrophobicContact CG2-CG 4.07Å; R287-L388 VanDerWaalsContact CZ-CD2 3.45Å; R287-L388 VanDerWaalsContact NH2-CA 3.34Å
389P59.1Low67.8Low48 Ų4875.5 Ų75.531%0.31239%0.389SS..PPolyproline II helixtrans-59.9143.8167.117.5-16.6000108.6Y363 F391Y363-P389 HydrophobicContact CD1-CB 3.91Å; Y363-P389 HydrophobicContact CD1-CG 4.1Å; Y363-P389 HydrophobicContact CE1-CB 4.37Å; P389-F391 HydrophobicContact CB-CD2 4.31Å; P389-F391 HydrophobicContact CG-CD2 3.79Å; P389-F391 HydrophobicContact CG-CE2 3.81Å; P389-F391 PolarHBondContact O-N 3.17Å
390R51.9Low66.3Low114 Ų11477.1 Ų77.143%0.4340%0.398SS..  trans-61.7106.7175.8-76.1178163.7-157.7-18.1107.8Y73 V170 C173Y73-R390 VanDerWaalsContact CE2-NH2 3.26Å; Y73-R390 PolarHBondContact OH-NH2 2.65Å; V170-R390 PolarHBondContact O-NH2 3.39Å; C173-R390 WeakPolarHBondContact SG-CG 3.47Å
391F56.9Low64.5Low53 Ų5382.2 Ų82.223%0.23243%0.425CS..  trans-115.8137.2-168.7-117.6-62.3000112.1Y363 P389 F393Y363-F391 VanDerWaalsContact CB-CE2 3.49Å; Y363-F391 HydrophobicContact CD1-CD2 4.07Å; Y363-F391 AromaticContact CD1-CE1 3.98Å; Y363-F391 HydrophobicContact CD1-CE1 3.98Å; Y363-F391 AromaticContact CD1-CE2 3.47Å; Y363-F391 HydrophobicContact CD1-CE2 3.47Å; Y363-F391 VanDerWaalsContact CD1-CE2 3.47Å; Y363-F391 AromaticContact CD1-CZ 3.42Å; Y363-F391 HydrophobicContact CD1-CZ 3.42Å; Y363-F391 VanDerWaalsContact CD1-CZ 3.42Å; Y363-F391 HydrophobicContact CD2-CD1 4.43Å; Y363-F391 AromaticContact CD2-CE1 3.31Å; Y363-F391 HydrophobicContact CD2-CE1 3.31Å; Y363-F391 AromaticContact CD2-CE2 3.98Å; Y363-F391 HydrophobicContact CD2-CE2 3.98Å; Y363-F391 AromaticContact CD2-CZ 3.04Å; Y363-F391 HydrophobicContact CD2-CZ 3.04Å; Y363-F391 HydrophobicContact CE1-CD1 4.28Å; Y363-F391 HydrophobicContact CE1-CD2 4.33Å; Y363-F391 AromaticContact CE1-CE1 3.97Å; Y363-F391 HydrophobicContact CE1-CE1 3.97Å; Y363-F391 HydrophobicContact CE1-CE2 4.09Å; Y363-F391 HydrophobicContact CE1-CG 4.44Å; Y363-F391 AromaticContact CE1-CZ 3.9Å; Y363-F391 HydrophobicContact CE1-CZ 3.9Å; Y363-F391 HydrophobicContact CE2-CD1 4.13Å; Y363-F391 AromaticContact CE2-CE1 3.29Å; Y363-F391 HydrophobicContact CE2-CE1 3.29Å; Y363-F391 AromaticContact CE2-CZ 3.56Å; Y363-F391 HydrophobicContact CE2-CZ 3.56Å; Y363-F391 HydrophobicContact CG-CD2 4.37Å; Y363-F391 AromaticContact CG-CE1 3.64Å; Y363-F391 HydrophobicContact CG-CE1 3.64Å; Y363-F391 AromaticContact CG-CE2 3.38Å; Y363-F391 HydrophobicContact CG-CE2 3.38Å; Y363-F391 AromaticContact CG-CZ 2.93Å; Y363-F391 HydrophobicContact CG-CZ 2.93Å; Y363-F391 AromaticContact CZ-CE1 3.63Å; Y363-F391 AromaticContact CZ-CZ 3.96Å; P389-F391 HydrophobicContact CB-CD2 4.31Å; P389-F391 HydrophobicContact CG-CD2 3.79Å; P389-F391 HydrophobicContact CG-CE2 3.81Å; P389-F391 PolarHBondContact O-N 3.17Å; F391-F393 HydrophobicContact CB-CD2 4.49Å; F391-F393 AromaticContact CD1-CD1 3.94Å; F391-F393 HydrophobicContact CD1-CD1 3.94Å; F391-F393 AromaticContact CD1-CD2 3.27Å; F391-F393 HydrophobicContact CD1-CD2 3.27Å; F391-F393 AromaticContact CD1-CE1 3.99Å; F391-F393 HydrophobicContact CD1-CE1 3.99Å; F391-F393 AromaticContact CD1-CE2 3.3Å; F391-F393 HydrophobicContact CD1-CE2 3.3Å; F391-F393 AromaticContact CD1-CG 3.63Å; F391-F393 HydrophobicContact CD1-CG 3.63Å; F391-F393 AromaticContact CD1-CZ 3.73Å; F391-F393 HydrophobicContact CD1-CZ 3.73Å; F391-F393 HydrophobicContact CD2-CD2 4.44Å; F391-F393 AromaticContact CD2-CE2 3.76Å; F391-F393 HydrophobicContact CD2-CE2 3.76Å; F391-F393 HydrophobicContact CD2-CZ 4.17Å; F391-F393 AromaticContact CE1-CD1 3.33Å; F391-F393 HydrophobicContact CE1-CD1 3.33Å; F391-F393 AromaticContact CE1-CD2 3.43Å; F391-F393 HydrophobicContact CE1-CD2 3.43Å; F391-F393 VanDerWaalsContact CE1-CD2 3.43Å; F391-F393 AromaticContact CE1-CE1 3.06Å; F391-F393 HydrophobicContact CE1-CE1 3.06Å; F391-F393 AromaticContact CE1-CE2 3.15Å; F391-F393 HydrophobicContact CE1-CE2 3.15Å; F391-F393 AromaticContact CE1-CG 3.54Å; F391-F393 HydrophobicContact CE1-CG 3.54Å; F391-F393 AromaticContact CE1-CZ 3.02Å; F391-F393 HydrophobicContact CE1-CZ 3.02Å; F391-F393 HydrophobicContact CE2-CE1 4.31Å; F391-F393 AromaticContact CE2-CE2 3.58Å; F391-F393 HydrophobicContact CE2-CE2 3.58Å; F391-F393 AromaticContact CE2-CZ 3.5Å; F391-F393 HydrophobicContact CE2-CZ 3.5Å; F391-F393 AromaticContact CG-CD2 3.83Å; F391-F393 HydrophobicContact CG-CD2 3.83Å; F391-F393 AromaticContact CG-CE2 3.61Å; F391-F393 HydrophobicContact CG-CE2 3.61Å; F391-F393 HydrophobicContact CG-CZ 4.25Å; F391-F393 HydrophobicContact CZ-CD1 4.01Å; F391-F393 HydrophobicContact CZ-CD2 4.04Å; F391-F393 AromaticContact CZ-CE1 3.24Å; F391-F393 HydrophobicContact CZ-CE1 3.24Å; F391-F393 AromaticContact CZ-CE2 3.26Å; F391-F393 HydrophobicContact CZ-CE2 3.26Å; F391-F393 HydrophobicContact CZ-CG 4.39Å; F391-F393 AromaticContact CZ-CZ 2.83Å; F391-F393 HydrophobicContact CZ-CZ 2.83Å
392N47.6Very low62.7Low135 Ų13585.7 Ų85.772%0.72244%0.444SS*.  trans-131.3101.8146.6-94.4-17.7000107.2V394N392-V394 PolarHBondContact O-N 3.45Å
393F51.4Low60.8Low51 Ų5186.4 Ų86.422%0.22444%0.442CS..  trans-73.4-3.7167.3-72.9-80000112.4Y284 P285 Y360 F391 K395Y284-F393 HydrophobicContact CD1-CB 3.28Å; Y284-F393 HydrophobicContact CD1-CD2 4.36Å; Y284-F393 AromaticContact CD1-CG 3.94Å; Y284-F393 HydrophobicContact CD1-CG 3.94Å; Y284-F393 HydrophobicContact CE1-CB 3.7Å; Y284-F393 HydrophobicContact CG-CB 3.97Å; Y284-F393 HydrophobicContact CG-CD2 4.45Å; Y284-F393 HydrophobicContact CG-CG 4.46Å; P285-F393 HydrophobicContact CG-CZ 4.1Å; P285-F393 WeakPolarHBondContact O-CE2 3.24Å; P285-F393 WeakPolarHBondContact O-CZ 3.31Å; Y360-F393 HydrophobicContact CD1-CE1 4.1Å; Y360-F393 HydrophobicContact CE1-CE1 4.46Å; F391-F393 HydrophobicContact CB-CD2 4.49Å; F391-F393 AromaticContact CD1-CD1 3.94Å; F391-F393 HydrophobicContact CD1-CD1 3.94Å; F391-F393 AromaticContact CD1-CD2 3.27Å; F391-F393 HydrophobicContact CD1-CD2 3.27Å; F391-F393 AromaticContact CD1-CE1 3.99Å; F391-F393 HydrophobicContact CD1-CE1 3.99Å; F391-F393 AromaticContact CD1-CE2 3.3Å; F391-F393 HydrophobicContact CD1-CE2 3.3Å; F391-F393 AromaticContact CD1-CG 3.63Å; F391-F393 HydrophobicContact CD1-CG 3.63Å; F391-F393 AromaticContact CD1-CZ 3.73Å; F391-F393 HydrophobicContact CD1-CZ 3.73Å; F391-F393 HydrophobicContact CD2-CD2 4.44Å; F391-F393 AromaticContact CD2-CE2 3.76Å; F391-F393 HydrophobicContact CD2-CE2 3.76Å; F391-F393 HydrophobicContact CD2-CZ 4.17Å; F391-F393 AromaticContact CE1-CD1 3.33Å; F391-F393 HydrophobicContact CE1-CD1 3.33Å; F391-F393 AromaticContact CE1-CD2 3.43Å; F391-F393 HydrophobicContact CE1-CD2 3.43Å; F391-F393 VanDerWaalsContact CE1-CD2 3.43Å; F391-F393 AromaticContact CE1-CE1 3.06Å; F391-F393 HydrophobicContact CE1-CE1 3.06Å; F391-F393 AromaticContact CE1-CE2 3.15Å; F391-F393 HydrophobicContact CE1-CE2 3.15Å; F391-F393 AromaticContact CE1-CG 3.54Å; F391-F393 HydrophobicContact CE1-CG 3.54Å; F391-F393 AromaticContact CE1-CZ 3.02Å; F391-F393 HydrophobicContact CE1-CZ 3.02Å; F391-F393 HydrophobicContact CE2-CE1 4.31Å; F391-F393 AromaticContact CE2-CE2 3.58Å; F391-F393 HydrophobicContact CE2-CE2 3.58Å; F391-F393 AromaticContact CE2-CZ 3.5Å; F391-F393 HydrophobicContact CE2-CZ 3.5Å; F391-F393 AromaticContact CG-CD2 3.83Å; F391-F393 HydrophobicContact CG-CD2 3.83Å; F391-F393 AromaticContact CG-CE2 3.61Å; F391-F393 HydrophobicContact CG-CE2 3.61Å; F391-F393 HydrophobicContact CG-CZ 4.25Å; F391-F393 HydrophobicContact CZ-CD1 4.01Å; F391-F393 HydrophobicContact CZ-CD2 4.04Å; F391-F393 AromaticContact CZ-CE1 3.24Å; F391-F393 HydrophobicContact CZ-CE1 3.24Å; F391-F393 AromaticContact CZ-CE2 3.26Å; F391-F393 HydrophobicContact CZ-CE2 3.26Å; F391-F393 HydrophobicContact CZ-CG 4.39Å; F391-F393 AromaticContact CZ-CZ 2.83Å; F391-F393 HydrophobicContact CZ-CZ 2.83Å; F393-K395 PolarHBondContact O-N 3.02Å
394V43.7Very low58.8Low96 Ų9692.8 Ų92.858%0.58247%0.473SS*.  trans-8299.7171.5-171.20000105.9N392N392-V394 PolarHBondContact O-N 3.45Å
395K37.6Very low56.7Low270 Ų27098.9 Ų98.9100%1.17450%0.504SS*.  trans-79.60160.2-85.7-170.2177.4179.20109.7F393F393-K395 PolarHBondContact O-N 3.02Å

Retrieved 395 of 395 residues in 109 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).