A0A2K5LEV2_CERAT Loading...

Poly [ADP-ribose] polymerase

Intracellular mono-ADP-ribosyltransferase that plays a role in different processes, such as protein translation and unfolded protein response (UPR), through the mono-ADP-ribosylation of proteins involved in those processes. Acts as an inhibitor of protein translation by catalyzing mono-ADP-ribosylation of ribosomal subunits, such as RPL14 and RPS6, thereby inhibiting polysome assembly and mRNA loading. Mono-ADP-ribosylation of ribosomal subunits is promoted by NMNAT2. Involved in the unfolded protein response (UPR) by ADP-ribosylating and activating EIF2AK3 and ERN1, two important UPR effectors. May also mediate mono-ADP-ribosylation of karyopherin KPNB1 a nuclear import factor. May not modify proteins on arginine or cysteine residues compared to other mono-ADP-ribosyltransferases.

AlphaFold DB , UniProt , Accession A0A2K5LEV2, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PARP16, Length 322 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low75.7Confident236 Ų23689.4 Ų89.4100%1.16350%0.499SS*.  089.40-80.4170.1146.600109.6
2Q49.3Very low77.2Confident117 Ų11785 Ų8555%0.54748%0.483SS..  trans-146.414.6168.4-83-74.9-33.700115S4 G5Q2-S4 PolarHBondContact O-N 3.17Å; Q2-G5 PolarHBondContact O-N 3.38Å
3P54.8Low78.5Confident101 Ų10178.5 Ų78.566%0.65645%0.447SS*.Hα-helixtrans-61.8-27.2177.5-17.526.4000114.9A7P3-A7 PolarHBondContact O-N 3.03Å
4S62Low79.7Confident101 Ų10176.3 Ų76.371%0.70645%0.449SS*.Hα-helixtrans-72.2-29.8-177.552.80000113.4Q2 A8Q2-S4 PolarHBondContact O-N 3.17Å; S4-A8 PolarHBondContact O-N 3.2Å
5G79.6Confident80.8Confident22 Ų2282.8 Ų82.823%0.22746%0.463CS..Hα-helixtrans-69.2-42.9178.800000112.3Q2 A8 A9Q2-G5 PolarHBondContact O-N 3.38Å; G5-A8 PolarHBondContact O-N 2.77Å; G5-A9 WeakPolarHBondContact O-CB 3.5Å; G5-A9 PolarHBondContact O-N 2.56Å
6W88.9Confident81.8Confident59 Ų5979.6 Ų79.622%0.22344%0.444CS..Hα-helixtrans-69.6-38.7-178.6-58.5-9.5000112.5A9 R10 K80 W83 D84W6-A9 PolarHBondContact O-N 2.94Å; W6-R10 VanDerWaalsContact O-CB 3.29Å; W6-R10 WeakPolarHBondContact O-CB 2.99Å; W6-R10 PolarHBondContact O-N 3.16Å; W6-K80 HydrophobicContact CH2-CB 3.88Å; W6-K80 HydrophobicContact CH2-CD 4.27Å; W6-K80 HydrophobicContact CH2-CG 3.78Å; W6-K80 HydrophobicContact CZ2-CB 4.08Å; W6-K80 HydrophobicContact CZ2-CG 4.46Å; W6-W83 HydrophobicContact CD2-CB 3.93Å; W6-W83 HydrophobicContact CG-CB 3.93Å; W6-W83 HydrophobicContact CG-CG 4.49Å; W6-D84 WeakPolarHBondContact CZ2-OD1 3.13Å; W6-D84 PolarHBondContact NE1-OD1 2.95Å
7A88.9Confident82.8Confident61 Ų6178.1 Ų78.150%0.50443%0.434SS..Hα-helixtrans-61.4-45.5176.600000111.5P3 R10 E11P3-A7 PolarHBondContact O-N 3.03Å; A7-R10 PolarHBondContact O-N 3.19Å; A7-E11 PolarHBondContact O-N 2.89Å
8A90.1Very high83.6Confident56 Ų5677.2 Ų77.246%0.46343%0.428SS..Hα-helixtrans-64.1-41.5176.500000112.2S4 G5 E11 A12S4-A8 PolarHBondContact O-N 3.2Å; G5-A8 PolarHBondContact O-N 2.77Å; A8-E11 PolarHBondContact O-N 2.83Å; A8-A12 WeakPolarHBondContact O-CB 3.06Å; A8-A12 PolarHBondContact O-N 2.95Å
9A91.9Very high84.4Confident6 Ų673.2 Ų73.25%0.0541%0.406CS..Hα-helixtrans-64.6-40.5176.300000112.3G5 W6 A12 A13 W83 S87G5-A9 WeakPolarHBondContact O-CB 3.5Å; G5-A9 PolarHBondContact O-N 2.56Å; W6-A9 PolarHBondContact O-N 2.94Å; A9-A12 PolarHBondContact O-N 2.63Å; A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.36Å; A9-A13 PolarHBondContact O-N 3.42Å; A9-W83 HydrophobicContact CB-CZ3 4.41Å; A9-S87 WeakPolarHBondContact CB-OG 3.16Å
10R93.6Very high85.1Confident105 Ų10569.8 Ų69.840%0.39639%0.388SS..Hα-helixtrans-62.8-43.8175-179.7177-74-170.4-10.7111.3W6 A7 G14 L72 S74 W83W6-R10 VanDerWaalsContact O-CB 3.29Å; W6-R10 WeakPolarHBondContact O-CB 2.99Å; W6-R10 PolarHBondContact O-N 3.16Å; A7-R10 PolarHBondContact O-N 3.19Å; R10-G14 PolarHBondContact O-N 2.95Å; R10-L72 HydrophobicContact CG-CD2 4.34Å; R10-S74 PolarHBondContact NH2-O 3.17Å; R10-W83 HydrophobicContact CB-CH2 3.76Å; R10-W83 HydrophobicContact CB-CZ3 4.01Å; R10-W83 HydrophobicContact CG-CH2 4.08Å
11E93.3Very high85.7Confident119 Ų11966.4 Ų66.456%0.55637%0.369SS*.Hα-helixtrans-63.2-47.8175.9-169-167.7161.600111.4A7 A8 A13 G14 R15A7-E11 PolarHBondContact O-N 2.89Å; A8-E11 PolarHBondContact O-N 2.83Å; E11-A13 PolarHBondContact O-N 2.98Å; E11-G14 PolarHBondContact O-N 3.22Å; E11-R15 WeakPolarHBondContact O-CB 3.4Å; E11-R15 PolarHBondContact O-N 3.45Å; E11-R15 IonicContact OE1-CZ 2.84Å; E11-R15 IonicContact OE1-NH2 2.67Å; E11-R15 PolarHBondContact OE1-NH2 3.41Å
12A93.3Very high88.5Confident37 Ų3755.2 Ų55.231%0.30631%0.314SS..Hα-helixtrans-60.2-46.6179.100000112A8 A9 G14 R15 D16A8-A12 WeakPolarHBondContact O-CB 3.06Å; A8-A12 PolarHBondContact O-N 2.95Å; A9-A12 PolarHBondContact O-N 2.63Å; A12-G14 VanDerWaalsContact C-N 3.35Å; A12-R15 PolarHBondContact O-N 2.98Å; A12-D16 PolarHBondContact O-N 3.45Å
13A94.8Very high90.9Very high1 Ų150.6 Ų50.61%0.00829%0.291CS..Hα-helixtrans-69.3-31.1177.500000113A9 E11 D16 M17 A20 L72 L90A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.36Å; A9-A13 PolarHBondContact O-N 3.42Å; E11-A13 PolarHBondContact O-N 2.98Å; A13-D16 CarbonylContact O-C 3.49Å; A13-M17 WeakPolarHBondContact O-CA 3.46Å; A13-M17 PolarHBondContact O-N 3.3Å; A13-A20 HydrophobicContact CB-CB 3.88Å; A13-L72 HydrophobicContact CB-CD1 3.95Å; A13-L90 HydrophobicContact CB-CD1 3.94Å
14G94.9Very high93Very high47 Ų4746 Ų4649%0.48526%0.261SS..Hα-helixtrans-71.6-35.1175.200000112.8R10 E11 A12R10-G14 PolarHBondContact O-N 2.95Å; E11-G14 PolarHBondContact O-N 3.22Å; A12-G14 VanDerWaalsContact C-N 3.35Å
15R96Very high94.7Very high174 Ų17441.1 Ų41.166%0.65723%0.228SC*.Hα-helixtrans-68.7-43.4178.9-167-175.1-57.1139.10.1112.1E11 A12E11-R15 WeakPolarHBondContact O-CB 3.4Å; E11-R15 PolarHBondContact O-N 3.45Å; E11-R15 IonicContact OE1-CZ 2.84Å; E11-R15 IonicContact OE1-NH2 2.67Å; E11-R15 PolarHBondContact OE1-NH2 3.41Å; A12-R15 PolarHBondContact O-N 2.98Å
16D97.7Very high95.6Very high31 Ų3140.2 Ų40.217%0.16622%0.218CC..  trans-142.492.1175.4-166.9-25.6000111.4A12 A13 L18 A19 A20 S99A12-D16 PolarHBondContact O-N 3.45Å; A13-D16 CarbonylContact O-C 3.49Å; D16-L18 PolarHBondContact OD1-N 3.24Å; D16-A19 HydrophobicContact CB-CB 4.07Å; D16-A19 VanDerWaalsContact CG-CB 3.45Å; D16-A19 WeakPolarHBondContact OD1-CB 3.37Å; D16-A19 PolarHBondContact OD1-N 3.36Å; D16-A20 WeakPolarHBondContact O-CB 3.36Å; D16-A20 PolarHBondContact O-N 3.19Å; D16-A20 VanDerWaalsContact O-N 3.11Å; D16-S99 VanDerWaalsContact CG-OG 3.31Å; D16-S99 PolarHBondContact OD1-OG 3.39Å; D16-S99 VanDerWaalsContact OD2-CB 3.32Å; D16-S99 WeakPolarHBondContact OD2-CB 3.46Å; D16-S99 PolarHBondContact OD2-N 3.21Å; D16-S99 PolarHBondContact OD2-OG 2.78Å; D16-S99 VanDerWaalsContact OD2-OG 3.11Å
17M97.7Very high96.1Very high54 Ų5437.4 Ų37.427%0.26621%0.207SC..Hα-helixtrans-69.7-34.5-174.7-167.5178.5-69.600112.8A13 D21 L68 K69 L204A13-M17 WeakPolarHBondContact O-CA 3.46Å; A13-M17 PolarHBondContact O-N 3.3Å; M17-D21 VanDerWaalsContact O-CB 3.23Å; M17-D21 WeakPolarHBondContact O-CB 3.44Å; M17-D21 PolarHBondContact O-N 2.83Å; M17-L68 HydrophobicContact CG-CB 4.46Å; M17-K69 HydrophobicContact CE-CG 4.21Å; M17-K69 HydrophobicContact SD-CD 4.45Å; M17-K69 HydrophobicContact SD-CG 3.56Å; M17-K69 VanDerWaalsContact SD-CG 3.56Å; M17-L204 HydrophobicContact CG-CD1 3.66Å; M17-L204 HydrophobicContact SD-CD1 3.62Å
18L98.4Very high96.6Very high62 Ų6234.9 Ų34.933%0.32519%0.186SC..Hα-helixtrans-72.7-38.2-179.8-64.9178.8000111D16 D21 L22 S99 F124 F126 L204 L205D16-L18 PolarHBondContact OD1-N 3.24Å; L18-D21 PolarHBondContact O-N 3.01Å; L18-L22 WeakPolarHBondContact O-CB 3.28Å; L18-L22 PolarHBondContact O-N 2.96Å; L18-S99 WeakPolarHBondContact CB-OG 3.31Å; L18-F124 HydrophobicContact CD1-CD1 4.32Å; L18-F124 HydrophobicContact CD1-CE1 4.46Å; L18-F126 HydrophobicContact CB-CE1 4.01Å; L18-F126 HydrophobicContact CB-CZ 4.25Å; L18-L204 HydrophobicContact CD2-CB 4.2Å; L18-L204 HydrophobicContact CD2-CD1 4.47Å; L18-L205 HydrophobicContact CB-CD2 4.45Å; L18-L205 HydrophobicContact CD2-CD2 3.92Å
19A98.4Very high97Very high2 Ų232.5 Ų32.52%0.01717%0.166CC..Hα-helixtrans-67.9-39.3175.500000111.9D16 L22 R23 I97 F126D16-A19 HydrophobicContact CB-CB 4.07Å; D16-A19 VanDerWaalsContact CG-CB 3.45Å; D16-A19 WeakPolarHBondContact OD1-CB 3.37Å; D16-A19 PolarHBondContact OD1-N 3.36Å; A19-L22 PolarHBondContact O-N 3.1Å; A19-R23 WeakPolarHBondContact O-CG 3.38Å; A19-R23 PolarHBondContact O-N 3.12Å; A19-I97 HydrophobicContact CB-CB 4.3Å; A19-I97 HydrophobicContact CB-CG2 4.14Å; A19-I97 VanDerWaalsContact CB-O 3.27Å; A19-I97 WeakPolarHBondContact CB-O 3.3Å; A19-F126 HydrophobicContact CB-CD1 4.19Å; A19-F126 HydrophobicContact CB-CE1 4.26Å
20A98.4Very high97.3Very high4 Ų432.2 Ų32.23%0.03316%0.163CC..Hα-helixtrans-63.7-42.1172.800000112A13 D16 R23 C24 L68 L90A13-A20 HydrophobicContact CB-CB 3.88Å; D16-A20 WeakPolarHBondContact O-CB 3.36Å; D16-A20 PolarHBondContact O-N 3.19Å; D16-A20 VanDerWaalsContact O-N 3.11Å; A20-R23 PolarHBondContact O-N 3.27Å; A20-C24 PolarHBondContact O-N 2.86Å; A20-C24 VanDerWaalsContact O-N 3.1Å; A20-C24 PolarHBondContact O-SG 2.86Å; A20-L68 HydrophobicContact CB-CD1 3.78Å; A20-L90 HydrophobicContact CB-CD1 4.08Å; A20-L90 HydrophobicContact CB-CD2 3.93Å
21D98.6Very high97.5Very high0 Ų027.3 Ų27.30%015%0.145CC..Hα-helixtrans-63.9-41.8176.9-168.2-71.7000112M17 L18 R23 C24 S25 L68 S203 L204M17-D21 VanDerWaalsContact O-CB 3.23Å; M17-D21 WeakPolarHBondContact O-CB 3.44Å; M17-D21 PolarHBondContact O-N 2.83Å; L18-D21 PolarHBondContact O-N 3.01Å; D21-R23 VanDerWaalsContact C-N 3.33Å; D21-R23 PolarHBondContact O-N 3.24Å; D21-C24 PolarHBondContact O-N 2.96Å; D21-S25 WeakPolarHBondContact O-CB 3.45Å; D21-S25 PolarHBondContact O-N 3.36Å; D21-S25 PolarHBondContact O-OG 2.94Å; D21-S25 PolarHBondContact OD1-OG 3.46Å; D21-L68 HydrophobicContact CB-CD1 3.92Å; D21-S203 WeakPolarHBondContact OD1-CA 3.27Å; D21-S203 VanDerWaalsContact OD1-CB 3.28Å; D21-S203 WeakPolarHBondContact OD1-CB 3.48Å; D21-S203 PolarHBondContact OD1-OG 3.02Å; D21-S203 WeakPolarHBondContact OD2-CA 3.36Å; D21-L204 VanDerWaalsContact CG-N 3.35Å; D21-L204 PolarHBondContact OD1-N 3.19Å; D21-L204 WeakPolarHBondContact OD2-CG 3.22Å; D21-L204 PolarHBondContact OD2-N 3.18Å
22L98.8Very high97.7Very high1 Ų125.4 Ų25.41%0.00514%0.136CC..Hα-helixtrans-55.8-48.8173.9179.967.4000110.9L18 A19 C24 S25 L26 I97 F126 L205 L268 V270L18-L22 WeakPolarHBondContact O-CB 3.28Å; L18-L22 PolarHBondContact O-N 2.96Å; A19-L22 PolarHBondContact O-N 3.1Å; L22-C24 VanDerWaalsContact C-N 3.31Å; L22-C24 PolarHBondContact O-N 3.47Å; L22-S25 WeakPolarHBondContact O-CB 3.44Å; L22-S25 PolarHBondContact O-N 3.39Å; L22-S25 VanDerWaalsContact O-N 3.07Å; L22-L26 HydrophobicContact CD1-CD1 4.18Å; L22-L26 HydrophobicContact CD1-CD2 4.41Å; L22-L26 HydrophobicContact CD1-CG 4.09Å; L22-L26 HydrophobicContact CD2-CD1 4.49Å; L22-L26 HydrophobicContact CG-CD1 4Å; L22-L26 HydrophobicContact CG-CG 4.24Å; L22-L26 VanDerWaalsContact O-CG 3.32Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 3.17Å; L22-I97 HydrophobicContact CD2-CG2 4.37Å; L22-F126 HydrophobicContact CB-CE1 4.34Å; L22-F126 HydrophobicContact CB-CE2 4.37Å; L22-F126 HydrophobicContact CB-CZ 4.09Å; L22-F126 HydrophobicContact CD1-CE2 4.23Å; L22-F126 HydrophobicContact CD2-CB 4.2Å; L22-F126 HydrophobicContact CD2-CD1 4.06Å; L22-F126 HydrophobicContact CD2-CD2 3.5Å; L22-F126 VanDerWaalsContact CD2-CD2 3.5Å; L22-F126 HydrophobicContact CD2-CE1 4.31Å; L22-F126 HydrophobicContact CD2-CE2 3.75Å; L22-F126 HydrophobicContact CD2-CG 3.64Å; L22-F126 HydrophobicContact CD2-CZ 4.15Å; L22-F126 HydrophobicContact CG-CE2 4.34Å; L22-L205 HydrophobicContact CB-CD1 3.83Å; L22-L205 HydrophobicContact CD1-CD1 3.76Å; L22-L205 HydrophobicContact CG-CD1 4.43Å; L22-L268 HydrophobicContact CD2-CD1 3.85Å; L22-V270 HydrophobicContact CD1-CG2 3.87Å
23R98.7Very high98Very high19 Ų1924.4 Ų24.47%0.07213%0.127CC..Hα-helixtrans-61.6-40.8-179.4-67.7168.670.4174.87.3111.5A19 A20 D21 S25 F27 I89 L90 I97A19-R23 WeakPolarHBondContact O-CG 3.38Å; A19-R23 PolarHBondContact O-N 3.12Å; A20-R23 PolarHBondContact O-N 3.27Å; D21-R23 VanDerWaalsContact C-N 3.33Å; D21-R23 PolarHBondContact O-N 3.24Å; R23-S25 VanDerWaalsContact C-N 3.34Å; R23-F27 VanDerWaalsContact O-CB 3.28Å; R23-F27 WeakPolarHBondContact O-CB 3.47Å; R23-F27 PolarHBondContact O-N 2.83Å; R23-I89 HydrophobicContact CB-CG2 3.78Å; R23-I89 PolarHBondContact NE-O 3.07Å; R23-I89 PolarHBondContact NH2-O 2.9Å; R23-L90 HydrophobicContact CB-CD2 4.2Å; R23-L90 VanDerWaalsContact CZ-CA 3.46Å; R23-L90 PolarHBondContact NH1-O 2.97Å; R23-L90 PolarHBondContact NH2-O 3.12Å; R23-I97 HydrophobicContact CG-CD1 3.82Å
24C98.6Very high98Very high4 Ų432.5 Ų32.53%0.02716%0.158CC..Hα-helixtrans-63.5-40.5173.1-62.30000111.8A20 D21 L22 F27 A28 W200A20-C24 PolarHBondContact O-N 2.86Å; A20-C24 VanDerWaalsContact O-N 3.1Å; A20-C24 PolarHBondContact O-SG 2.86Å; D21-C24 PolarHBondContact O-N 2.96Å; L22-C24 VanDerWaalsContact C-N 3.31Å; L22-C24 PolarHBondContact O-N 3.47Å; C24-F27 PolarHBondContact O-N 2.96Å; C24-A28 VanDerWaalsContact O-CB 3.29Å; C24-A28 WeakPolarHBondContact O-CB 3.27Å; C24-A28 PolarHBondContact O-N 3.13Å; C24-W200 HydrophobicContact CB-CE3 4.02Å; C24-W200 HydrophobicContact CB-CZ3 4.16Å
25S98.8Very high98.1Very high0 Ų032.5 Ų32.50%015%0.145CC..Hα-helixtrans-66.1-43179.5-63.40000113D21 L22 R23 A28 S29 S203D21-S25 WeakPolarHBondContact O-CB 3.45Å; D21-S25 PolarHBondContact O-N 3.36Å; D21-S25 PolarHBondContact O-OG 2.94Å; D21-S25 PolarHBondContact OD1-OG 3.46Å; L22-S25 WeakPolarHBondContact O-CB 3.44Å; L22-S25 PolarHBondContact O-N 3.39Å; L22-S25 VanDerWaalsContact O-N 3.07Å; R23-S25 VanDerWaalsContact C-N 3.34Å; S25-A28 PolarHBondContact O-N 3.45Å; S25-S29 WeakPolarHBondContact O-CB 3.37Å; S25-S29 PolarHBondContact O-N 3.5Å; S25-S203 WeakPolarHBondContact OG-CB 3.47Å; S25-S203 PolarHBondContact OG-OG 3.15Å; S25-S203 VanDerWaalsContact OG-OG 3.08Å
26L98.8Very high98.1Very high2 Ų227.8 Ų27.81%0.0113%0.127CC..Hα-helixtrans-69.2-40.8176.6-64-178.5000111.6L22 S29 A30 L156 F159 I163L22-L26 HydrophobicContact CD1-CD1 4.18Å; L22-L26 HydrophobicContact CD1-CD2 4.41Å; L22-L26 HydrophobicContact CD1-CG 4.09Å; L22-L26 HydrophobicContact CD2-CD1 4.49Å; L22-L26 HydrophobicContact CG-CD1 4Å; L22-L26 HydrophobicContact CG-CG 4.24Å; L22-L26 VanDerWaalsContact O-CG 3.32Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 3.17Å; L26-S29 PolarHBondContact O-N 3.31Å; L26-A30 WeakPolarHBondContact O-CB 3.39Å; L26-A30 PolarHBondContact O-N 3.04Å; L26-L156 HydrophobicContact CD2-CD1 3.59Å; L26-L156 HydrophobicContact CD2-CG 4.16Å; L26-F159 HydrophobicContact CD1-CB 3.94Å; L26-F159 HydrophobicContact CD2-CB 3.77Å; L26-F159 HydrophobicContact CG-CB 4.36Å; L26-I163 HydrophobicContact CD1-CD1 3.3Å
27F98.8Very high98Very high1 Ų130.2 Ų30.20%0.00414%0.14CC..Hα-helixtrans-57.5-49.5171.4168.5-94000111.4R23 C24 S29 A30 L31 L40 L58 A62 L85 W88 I89R23-F27 VanDerWaalsContact O-CB 3.28Å; R23-F27 WeakPolarHBondContact O-CB 3.47Å; R23-F27 PolarHBondContact O-N 2.83Å; C24-F27 PolarHBondContact O-N 2.96Å; F27-S29 VanDerWaalsContact C-N 3.32Å; F27-S29 PolarHBondContact O-N 3.01Å; F27-A30 PolarHBondContact O-N 2.9Å; F27-L31 HydrophobicContact CE1-CD2 3.87Å; F27-L31 HydrophobicContact CZ-CD2 3.96Å; F27-L31 WeakPolarHBondContact O-CB 3.37Å; F27-L31 PolarHBondContact O-N 3.05Å; F27-L40 HydrophobicContact CD2-CD1 3.65Å; F27-L40 HydrophobicContact CE2-CD1 3.76Å; F27-L40 HydrophobicContact CE2-CD2 4.22Å; F27-L40 HydrophobicContact CE2-CG 4.47Å; F27-L58 HydrophobicContact CZ-CD1 3.99Å; F27-L58 HydrophobicContact CZ-CD2 4.18Å; F27-L58 HydrophobicContact CZ-CG 4.24Å; F27-A62 HydrophobicContact CE1-CB 4.39Å; F27-L85 HydrophobicContact CE1-CD1 4.25Å; F27-L85 HydrophobicContact CE1-CD2 4.2Å; F27-L85 HydrophobicContact CE1-CG 4.48Å; F27-L85 HydrophobicContact CE2-CD1 4.43Å; F27-L85 HydrophobicContact CZ-CD1 3.84Å; F27-L85 HydrophobicContact CZ-CD2 4.44Å; F27-W88 AromaticContact CD2-CZ3 3.76Å; F27-W88 HydrophobicContact CD2-CZ3 3.76Å; F27-W88 HydrophobicContact CE2-CE3 4.45Å; F27-W88 HydrophobicContact CE2-CH2 4.47Å; F27-W88 AromaticContact CE2-CZ3 3.68Å; F27-W88 HydrophobicContact CE2-CZ3 3.68Å; F27-I89 HydrophobicContact CB-CD1 4.11Å; F27-I89 HydrophobicContact CB-CG1 4.29Å; F27-I89 HydrophobicContact CD1-CD1 3.57Å; F27-I89 HydrophobicContact CD1-CG1 4.27Å; F27-I89 HydrophobicContact CD2-CD1 4.29Å; F27-I89 HydrophobicContact CD2-CG1 4.09Å; F27-I89 HydrophobicContact CE1-CD1 4.07Å; F27-I89 HydrophobicContact CG-CD1 3.7Å; F27-I89 HydrophobicContact CG-CG1 3.94Å
28A98.6Very high97.7Very high7 Ų730.9 Ų30.96%0.05815%0.15CC..Hα-helixtrans-61.1-41.8179.100000111.6C24 S25 L31 Q32 W200C24-A28 VanDerWaalsContact O-CB 3.29Å; C24-A28 WeakPolarHBondContact O-CB 3.27Å; C24-A28 PolarHBondContact O-N 3.13Å; S25-A28 PolarHBondContact O-N 3.45Å; A28-L31 PolarHBondContact O-N 3.38Å; A28-Q32 WeakPolarHBondContact O-CB 3.39Å; A28-Q32 WeakPolarHBondContact O-CG 3.39Å; A28-Q32 PolarHBondContact O-N 2.71Å; A28-Q32 PolarHBondContact O-NE2 3.47Å; A28-W200 HydrophobicContact CB-CB 3.78Å; A28-W200 HydrophobicContact CB-CG 4.36Å
29S98.7Very high97.6Very high6 Ų628.5 Ų28.54%0.04214%0.138CC..Hα-helixtrans-60.3-47.2176-164.10000112.1S25 L26 F27 S33 L156 E157 H198S25-S29 WeakPolarHBondContact O-CB 3.37Å; S25-S29 PolarHBondContact O-N 3.5Å; L26-S29 PolarHBondContact O-N 3.31Å; F27-S29 VanDerWaalsContact C-N 3.32Å; F27-S29 PolarHBondContact O-N 3.01Å; S29-S33 PolarHBondContact O-N 3.36Å; S29-S33 VanDerWaalsContact O-N 3.16Å; S29-L156 WeakPolarHBondContact OG-CD2 3.33Å; S29-E157 WeakPolarHBondContact OG-CA 3.36Å; S29-E157 PolarHBondContact OG-N 3.02Å; S29-H198 WeakPolarHBondContact CA-O 3.23Å; S29-H198 WeakPolarHBondContact CB-O 3.35Å; S29-H198 PolarHBondContact OG-O 3.14Å
30A98.6Very high97.5Very high0 Ų028.4 Ų28.40%014%0.137CC..Hα-helixtrans-63.2-41.6177.400000112.4L26 F27 R36 V39 L40 E157 H160L26-A30 WeakPolarHBondContact O-CB 3.39Å; L26-A30 PolarHBondContact O-N 3.04Å; F27-A30 PolarHBondContact O-N 2.9Å; A30-R36 WeakPolarHBondContact O-CA 3.1Å; A30-R36 WeakPolarHBondContact O-CB 3.48Å; A30-V39 HydrophobicContact CB-CG2 4.12Å; A30-L40 HydrophobicContact CB-CB 4.31Å; A30-L40 HydrophobicContact CB-CD1 3.66Å; A30-E157 WeakPolarHBondContact CB-O 3.15Å; A30-H160 HydrophobicContact CB-CB 3.83Å
31L98.6Very high97.4Very high2 Ų233.7 Ų33.71%0.0116%0.157CC..Hα-helixtrans-68.5-43179.3176.661.9000112.7F27 A28 S33 R36 L40 F55 L58 L59 A62F27-L31 HydrophobicContact CE1-CD2 3.87Å; F27-L31 HydrophobicContact CZ-CD2 3.96Å; F27-L31 WeakPolarHBondContact O-CB 3.37Å; F27-L31 PolarHBondContact O-N 3.05Å; A28-L31 PolarHBondContact O-N 3.38Å; L31-S33 VanDerWaalsContact C-N 3.31Å; L31-S33 PolarHBondContact O-N 3.27Å; L31-R36 WeakPolarHBondContact O-CB 3.3Å; L31-R36 WeakPolarHBondContact O-CD 3.38Å; L31-R36 PolarHBondContact O-NE 3.39Å; L31-L40 HydrophobicContact CB-CD1 4.4Å; L31-L40 HydrophobicContact CB-CD2 4.03Å; L31-L40 HydrophobicContact CD1-CD2 3.7Å; L31-L40 HydrophobicContact CG-CD2 4.44Å; L31-F55 HydrophobicContact CD1-CD1 3.99Å; L31-L58 HydrophobicContact CD1-CB 4.31Å; L31-L58 HydrophobicContact CD1-CD2 3.74Å; L31-L58 HydrophobicContact CD1-CG 3.84Å; L31-L58 HydrophobicContact CD2-CD2 4.44Å; L31-L58 HydrophobicContact CD2-CG 3.89Å; L31-L59 HydrophobicContact CD1-CD2 4.2Å; L31-L59 HydrophobicContact CD1-CG 4.07Å; L31-L59 HydrophobicContact CD2-CD2 4.14Å; L31-L59 HydrophobicContact CD2-CG 4.46Å; L31-L59 HydrophobicContact CG-CD2 3.72Å; L31-L59 HydrophobicContact CG-CG 4.12Å; L31-A62 HydrophobicContact CD2-CB 3.5Å
32Q97.8Very high97.3Very high80 Ų8036 Ų3637%0.37417%0.172SC..Hα-helixtrans-70.8-29.1-178.6-70.8167.634.500112.1A28 R36 G199A28-Q32 WeakPolarHBondContact O-CB 3.39Å; A28-Q32 WeakPolarHBondContact O-CG 3.39Å; A28-Q32 PolarHBondContact O-N 2.71Å; A28-Q32 PolarHBondContact O-NE2 3.47Å; Q32-R36 PolarHBondContact O-NH2 2.82Å; Q32-G199 PolarHBondContact NE2-O 2.6Å; Q32-G199 VanDerWaalsContact NE2-O 3.15Å
33S97.7Very high97.3Very high15 Ų1537.5 Ų37.511%0.10518%0.178CC..SBendtrans-53.7142.5-180-172.90000113.1S29 L31 K35 R36S29-S33 PolarHBondContact O-N 3.36Å; S29-S33 VanDerWaalsContact O-N 3.16Å; L31-S33 VanDerWaalsContact C-N 3.31Å; L31-S33 PolarHBondContact O-N 3.27Å; S33-K35 PolarHBondContact O-N 2.92Å; S33-K35 VanDerWaalsContact O-N 3.16Å; S33-K35 PolarHBondContact OG-N 3.22Å; S33-K35 VanDerWaalsContact OG-N 3.16Å; S33-R36 VanDerWaalsContact O-CB 3.28Å; S33-R36 WeakPolarHBondContact O-CB 3.33Å; S33-R36 PolarHBondContact O-N 3.02Å; S33-R36 PolarHBondContact O-NE 3.48Å; S33-R36 PolarHBondContact O-NH2 2.84Å; S33-R36 VanDerWaalsContact O-NH2 3.13Å
34Y96.1Very high97.2Very high171 Ų17136.6 Ų36.667%0.67118%0.175SC*.THydrogen-bonded Turntrans-61.8-19.5168.970.8-86.4000112.3R36Y34-R36 VanDerWaalsContact C-N 3.31Å
35K95.8Very high97Very high48 Ų4840.1 Ų40.121%0.20920%0.204CC..THydrogen-bonded Turntrans-87.911.2175.4-59.3177.5-74.9163.60113.5S33 D37 S38 V39 E157 N158S33-K35 PolarHBondContact O-N 2.92Å; S33-K35 VanDerWaalsContact O-N 3.16Å; S33-K35 PolarHBondContact OG-N 3.22Å; S33-K35 VanDerWaalsContact OG-N 3.16Å; K35-D37 PolarHBondContact O-N 3.47Å; K35-S38 PolarHBondContact O-N 3.36Å; K35-S38 PolarHBondContact O-OG 3.07Å; K35-V39 HydrophobicContact CB-CG1 3.95Å; K35-V39 HydrophobicContact CB-CG2 4.29Å; K35-V39 WeakPolarHBondContact O-CG2 3.46Å; K35-V39 PolarHBondContact O-N 2.97Å; K35-V39 VanDerWaalsContact O-N 3.08Å; K35-E157 WeakPolarHBondContact CE-OE1 3.19Å; K35-E157 IonicContact NZ-OE1 2.74Å; K35-E157 PolarHBondContact NZ-OE1 3.22Å; K35-N158 PolarHBondContact NZ-OD1 3.07Å
36R96.9Very high96.9Very high75 Ų7544.8 Ų44.828%0.28324%0.237SC..Hα-helixtrans-49-32.3-171.163.4-17172.393.93.2115.1A30 L31 Q32 S33 Y34 S38 L40 F55A30-R36 WeakPolarHBondContact O-CA 3.1Å; A30-R36 WeakPolarHBondContact O-CB 3.48Å; L31-R36 WeakPolarHBondContact O-CB 3.3Å; L31-R36 WeakPolarHBondContact O-CD 3.38Å; L31-R36 PolarHBondContact O-NE 3.39Å; Q32-R36 PolarHBondContact O-NH2 2.82Å; S33-R36 VanDerWaalsContact O-CB 3.28Å; S33-R36 WeakPolarHBondContact O-CB 3.33Å; S33-R36 PolarHBondContact O-N 3.02Å; S33-R36 PolarHBondContact O-NE 3.48Å; S33-R36 PolarHBondContact O-NH2 2.84Å; S33-R36 VanDerWaalsContact O-NH2 3.13Å; Y34-R36 VanDerWaalsContact C-N 3.31Å; R36-S38 VanDerWaalsContact C-N 3.32Å; R36-S38 PolarHBondContact O-N 2.89Å; R36-L40 WeakPolarHBondContact O-CB 3.48Å; R36-L40 PolarHBondContact O-N 3.01Å; R36-F55 HydrophobicContact CB-CD1 4.22Å; R36-F55 HydrophobicContact CB-CE1 3.89Å; R36-F55 HydrophobicContact CB-CZ 4.49Å; R36-F55 HydrophobicContact CG-CD1 3.76Å; R36-F55 HydrophobicContact CG-CE1 3.71Å; R36-F55 HydrophobicContact CG-CE2 4.47Å; R36-F55 HydrophobicContact CG-CG 4.18Å; R36-F55 HydrophobicContact CG-CZ 4.1Å
37D94.6Very high96.8Very high81 Ų8146 Ų4643%0.43324%0.241SC..Hα-helixtrans-63.8-35.5178.1-172.5-96.7000114K35 R41 K53 F55K35-D37 PolarHBondContact O-N 3.47Å; D37-R41 PolarHBondContact O-NE 3.28Å; D37-R41 PolarHBondContact O-NH2 3.08Å; D37-R41 IonicContact OD1-NH2 3.61Å; D37-K53 PolarHBondContact O-NZ 2.9Å; D37-K53 IonicContact OD1-NZ 3.9Å; D37-K53 IonicContact OD2-NZ 2.83Å; D37-K53 PolarHBondContact OD2-NZ 3.37Å; D37-F55 HydrophobicContact CB-CE2 4.32Å; D37-F55 HydrophobicContact CB-CZ 4.33Å
38S92.3Very high96.7Very high69 Ų6947.5 Ų47.548%0.48325%0.254SS..Hα-helixtrans-91.9-35.1179.361.20000112.9K35 R36 R41K35-S38 PolarHBondContact O-N 3.36Å; K35-S38 PolarHBondContact O-OG 3.07Å; R36-S38 VanDerWaalsContact C-N 3.32Å; R36-S38 PolarHBondContact O-N 2.89Å; S38-R41 WeakPolarHBondContact O-CD 3.26Å
39V95.5Very high96.5Very high11 Ų1156.2 Ų56.27%0.06729%0.285CS..Hα-helixtrans-94.5-23.5-172.8-54.20000114.8A30 K35 R41 E157 S161A30-V39 HydrophobicContact CB-CG2 4.12Å; K35-V39 HydrophobicContact CB-CG1 3.95Å; K35-V39 HydrophobicContact CB-CG2 4.29Å; K35-V39 WeakPolarHBondContact O-CG2 3.46Å; K35-V39 PolarHBondContact O-N 2.97Å; K35-V39 VanDerWaalsContact O-N 3.08Å; V39-R41 PolarHBondContact O-N 3.25Å; V39-E157 HydrophobicContact CG2-CB 4.43Å; V39-E157 HydrophobicContact CG2-CG 4.47Å; V39-S161 WeakPolarHBondContact O-CB 3.45Å
40L97.9Very high96.1Very high0 Ų059.3 Ų59.30%032%0.319CS..SBendtrans-84.665.7175.2-167.467.8000110.5F27 A30 L31 R36 P42 F43 F55 L58F27-L40 HydrophobicContact CD2-CD1 3.65Å; F27-L40 HydrophobicContact CE2-CD1 3.76Å; F27-L40 HydrophobicContact CE2-CD2 4.22Å; F27-L40 HydrophobicContact CE2-CG 4.47Å; A30-L40 HydrophobicContact CB-CB 4.31Å; A30-L40 HydrophobicContact CB-CD1 3.66Å; L31-L40 HydrophobicContact CB-CD1 4.4Å; L31-L40 HydrophobicContact CB-CD2 4.03Å; L31-L40 HydrophobicContact CD1-CD2 3.7Å; L31-L40 HydrophobicContact CG-CD2 4.44Å; R36-L40 WeakPolarHBondContact O-CB 3.48Å; R36-L40 PolarHBondContact O-N 3.01Å; L40-P42 CarbonylContact C-O 3.56Å; L40-P42 CarbonylContact O-C 3.53Å; L40-F43 HydrophobicContact CD2-CD2 3.83Å; L40-F43 HydrophobicContact CD2-CE2 4.04Å; L40-F43 HydrophobicContact CG-CD2 4.27Å; L40-F55 HydrophobicContact CD2-CE1 4.05Å; L40-L58 HydrophobicContact CD2-CD2 3.82Å
41R95.8Very high95.7Very high116 Ų11667.5 Ų67.544%0.43836%0.362SS..  trans-128.1120.8178-64.1-175.1-177.9-1411.3108.2D37 S38 V39 S161 N165D37-R41 PolarHBondContact O-NE 3.28Å; D37-R41 PolarHBondContact O-NH2 3.08Å; D37-R41 IonicContact OD1-NH2 3.61Å; S38-R41 WeakPolarHBondContact O-CD 3.26Å; V39-R41 PolarHBondContact O-N 3.25Å; R41-S161 WeakPolarHBondContact O-CA 3.37Å; R41-S161 WeakPolarHBondContact O-CB 3.43Å; R41-N165 PolarHBondContact O-ND2 3.05Å
42P96.8Very high95.4Very high48 Ų4871.9 Ų71.931%0.31239%0.392SS..SBendcis-66.8157.93.629.9-37.1000112.8L40 W88 H160 H164L40-P42 CarbonylContact C-O 3.56Å; L40-P42 CarbonylContact O-C 3.53Å; P42-W88 HydrophobicContact CB-CZ2 4.21Å; P42-W88 HydrophobicContact CG-CH2 4.43Å; P42-W88 HydrophobicContact CG-CZ2 4.3Å; P42-W88 WeakPolarHBondContact O-CH2 3.48Å; P42-H160 PolarHBondContact O-NE2 3.03Å; P42-H164 HydrophobicContact CG-CB 3.99Å
43F97.4Very high95.4Very high33 Ų3370.9 Ų70.915%0.14539%0.387CS..  trans-113.1141.3178.5-177-89.1000109.8L40 A45 Y47 A48 K53 F55 L58L40-F43 HydrophobicContact CD2-CD2 3.83Å; L40-F43 HydrophobicContact CD2-CE2 4.04Å; L40-F43 HydrophobicContact CG-CD2 4.27Å; F43-A45 PolarHBondContact O-N 3.39Å; F43-Y47 WeakPolarHBondContact CE1-O 3.38Å; F43-A48 HydrophobicContact CD1-CB 4.25Å; F43-A48 HydrophobicContact CE1-CB 4.05Å; F43-K53 HydrophobicContact CD1-CD 4.4Å; F43-K53 HydrophobicContact CD1-CG 4.15Å; F43-K53 HydrophobicContact CD2-CD 3.99Å; F43-K53 HydrophobicContact CD2-CG 4.46Å; F43-K53 HydrophobicContact CE1-CB 4.09Å; F43-K53 HydrophobicContact CE1-CG 4.07Å; F43-K53 HydrophobicContact CE2-CB 4.13Å; F43-K53 HydrophobicContact CE2-CD 4.22Å; F43-K53 HydrophobicContact CE2-CG 4.39Å; F43-K53 HydrophobicContact CG-CD 4.1Å; F43-K53 HydrophobicContact CG-CG 4.36Å; F43-K53 HydrophobicContact CZ-CB 3.82Å; F43-K53 HydrophobicContact CZ-CG 4.2Å; F43-F55 AromaticContact CD2-CE1 3.97Å; F43-F55 HydrophobicContact CD2-CE1 3.97Å; F43-F55 HydrophobicContact CD2-CZ 4.19Å; F43-F55 AromaticContact CE2-CD1 3.89Å; F43-F55 HydrophobicContact CE2-CD1 3.89Å; F43-F55 AromaticContact CE2-CE1 3.52Å; F43-F55 HydrophobicContact CE2-CE1 3.52Å; F43-F55 AromaticContact CE2-CZ 3.91Å; F43-F55 HydrophobicContact CE2-CZ 3.91Å; F43-L58 HydrophobicContact CD2-CD2 4.36Å; F43-L58 HydrophobicContact CE2-CD2 3.57Å; F43-L58 HydrophobicContact CZ-CD2 3.84Å
44P96.8Very high95.4Very high0 Ų072.4 Ų72.40%039%0.393CS..  trans-69114.1-179.427.3-33.9000111.4S46 Y47 L58 W88P44-S46 PolarHBondContact O-N 3.47Å; P44-S46 VanDerWaalsContact O-N 3.1Å; P44-Y47 HydrophobicContact CB-CD2 3.98Å; P44-Y47 HydrophobicContact CG-CD2 3.81Å; P44-Y47 HydrophobicContact CG-CG 4.45Å; P44-Y47 PolarHBondContact O-N 3.16Å; P44-L58 HydrophobicContact CG-CD1 3.98Å; P44-L58 HydrophobicContact CG-CD2 3.66Å; P44-L58 HydrophobicContact CG-CG 4.49Å; P44-W88 VanDerWaalsContact CA-CE2 3.46Å; P44-W88 HydrophobicContact CB-CD2 3.67Å; P44-W88 HydrophobicContact CB-CE3 3.93Å; P44-W88 HydrophobicContact CB-CG 4.13Å; P44-W88 HydrophobicContact CB-CH2 4.31Å; P44-W88 HydrophobicContact CB-CZ2 4.05Å; P44-W88 HydrophobicContact CB-CZ3 4.26Å; P44-W88 HydrophobicContact CG-CE3 4.44Å; P44-W88 HydrophobicContact CG-CH2 4.46Å; P44-W88 HydrophobicContact CG-CZ3 4.38Å; P44-W88 VanDerWaalsContact N-CZ2 3.32Å
45A95.4Very high95.4Very high77 Ų7765.8 Ų65.864%0.63637%0.368SS*.G310 helixtrans-59.4-25.6-175.500000113.8F43 Y47 A48F43-A45 PolarHBondContact O-N 3.39Å; A45-Y47 PolarHBondContact O-N 2.92Å; A45-A48 PolarHBondContact O-N 3.05Å
46S95.8Very high95.5Very high99 Ų9971.2 Ų71.269%0.69240%0.395SS*.G310 helixtrans-63.1-18.4174.455.60000113.9P44P44-S46 PolarHBondContact O-N 3.47Å; P44-S46 VanDerWaalsContact O-N 3.1Å
47Y97.1Very high95.5Very high26 Ų2669.4 Ų69.410%0.10240%0.395CS..G310 helixtrans-105.213.8175.7-66.3-93.3000112.1F43 P44 A45 D54 A57 L58 D61 L85F43-Y47 WeakPolarHBondContact CE1-O 3.38Å; P44-Y47 HydrophobicContact CB-CD2 3.98Å; P44-Y47 HydrophobicContact CG-CD2 3.81Å; P44-Y47 HydrophobicContact CG-CG 4.45Å; P44-Y47 PolarHBondContact O-N 3.16Å; A45-Y47 PolarHBondContact O-N 2.92Å; Y47-D54 WeakPolarHBondContact O-CB 3.39Å; Y47-D54 PolarHBondContact O-N 2.9Å; Y47-A57 HydrophobicContact CD1-CB 4.06Å; Y47-A57 HydrophobicContact CE1-CB 4.27Å; Y47-L58 HydrophobicContact CD1-CB 3.74Å; Y47-L58 HydrophobicContact CD1-CD1 4.01Å; Y47-L58 HydrophobicContact CD1-CG 4.45Å; Y47-L58 HydrophobicContact CD2-CD1 3.67Å; Y47-L58 HydrophobicContact CE1-CB 4.19Å; Y47-L58 HydrophobicContact CE1-CD1 4Å; Y47-L58 HydrophobicContact CE2-CD1 3.66Å; Y47-L58 HydrophobicContact CG-CB 4.04Å; Y47-L58 HydrophobicContact CG-CD1 3.85Å; Y47-L58 HydrophobicContact CG-CG 4.39Å; Y47-D61 HydrophobicContact CE1-CB 4.4Å; Y47-D61 WeakPolarHBondContact CE1-OD2 3.18Å; Y47-D61 WeakPolarHBondContact OH-CB 3.2Å; Y47-D61 PolarHBondContact OH-OD2 3.35Å; Y47-L85 HydrophobicContact CE2-CD1 4.49Å
48A96.1Very high95.7Very high34 Ų3465.5 Ų65.528%0.28138%0.375SS..EExtended strand (participates in β ladder)trans-117137.1176.500000110.3F43 A45 C52F43-A48 HydrophobicContact CD1-CB 4.25Å; F43-A48 HydrophobicContact CE1-CB 4.05Å; A45-A48 PolarHBondContact O-N 3.05Å; A48-C52 WeakPolarHBondContact CA-O 3.49Å
49R94.2Very high96Very high189 Ų18965 Ų6571%0.71337%0.366SS*.EExtended strand (participates in β ladder)trans-117.892.3170.5-72.1-175.1-77.6-151-8.6107.9D51 C52 D54R49-D51 PolarHBondContact O-N 3.37Å; R49-C52 PolarHBondContact N-O 3.16Å; R49-C52 WeakPolarHBondContact O-CB 3.37Å; R49-C52 PolarHBondContact O-N 3.5Å; R49-C52 VanDerWaalsContact O-N 3.17Å; R49-D54 IonicContact NH2-OD2 3.2Å; R49-D54 PolarHBondContact NH2-OD2 3.15Å
50G90.6Very high96.1Very high72 Ų7266.4 Ų66.474%0.74238%0.379SS*.THydrogen-bonded Turntrans62.1-126.1-168.300000110.5C52G50-C52 VanDerWaalsContact C-N 3.31Å
51D89.9Confident96Very high171 Ų17167.3 Ų67.391%0.91438%0.384SS*.THydrogen-bonded Turntrans-80.8-10.4178.1-63.4-38.9000113.6R49 K53R49-D51 PolarHBondContact O-N 3.37Å; D51-K53 PolarHBondContact O-N 3.16Å
52C93.4Very high96Very high94 Ų9462.5 Ų62.564%0.63537%0.369SS*.EExtended strand (participates in β ladder)trans-85.1109.8-179.8-62.30000111A48 R49 G50A48-C52 WeakPolarHBondContact CA-O 3.49Å; R49-C52 PolarHBondContact N-O 3.16Å; R49-C52 WeakPolarHBondContact O-CB 3.37Å; R49-C52 PolarHBondContact O-N 3.5Å; R49-C52 VanDerWaalsContact O-N 3.17Å; G50-C52 VanDerWaalsContact C-N 3.31Å
53K96.8Very high95.9Very high59 Ų5964.3 Ų64.326%0.25738%0.383SS..EExtended strand (participates in β ladder)trans-86.1122.2173.4-62.2176.2-165.7156.50110.9D37 F43 D51 F55D37-K53 PolarHBondContact O-NZ 2.9Å; D37-K53 IonicContact OD1-NZ 3.9Å; D37-K53 IonicContact OD2-NZ 2.83Å; D37-K53 PolarHBondContact OD2-NZ 3.37Å; F43-K53 HydrophobicContact CD1-CD 4.4Å; F43-K53 HydrophobicContact CD1-CG 4.15Å; F43-K53 HydrophobicContact CD2-CD 3.99Å; F43-K53 HydrophobicContact CD2-CG 4.46Å; F43-K53 HydrophobicContact CE1-CB 4.09Å; F43-K53 HydrophobicContact CE1-CG 4.07Å; F43-K53 HydrophobicContact CE2-CB 4.13Å; F43-K53 HydrophobicContact CE2-CD 4.22Å; F43-K53 HydrophobicContact CE2-CG 4.39Å; F43-K53 HydrophobicContact CG-CD 4.1Å; F43-K53 HydrophobicContact CG-CG 4.36Å; F43-K53 HydrophobicContact CZ-CB 3.82Å; F43-K53 HydrophobicContact CZ-CG 4.2Å; D51-K53 PolarHBondContact O-N 3.16Å; K53-F55 HydrophobicContact CB-CD2 3.99Å; K53-F55 HydrophobicContact CB-CE2 3.62Å; K53-F55 HydrophobicContact CB-CZ 4.14Å; K53-F55 HydrophobicContact CD-CE2 3.75Å; K53-F55 HydrophobicContact CD-CZ 3.65Å; K53-F55 HydrophobicContact CG-CE2 4.37Å; K53-F55 PolarHBondContact O-N 3.35Å; K53-F55 VanDerWaalsContact O-N 3.16Å
54D97.8Very high95.8Very high47 Ų4769.3 Ų69.325%0.25140%0.404SS..  trans-8877.5178.2-160.8-30.8000110.7Y47 R49 E56 A57 L58Y47-D54 WeakPolarHBondContact O-CB 3.39Å; Y47-D54 PolarHBondContact O-N 2.9Å; R49-D54 IonicContact NH2-OD2 3.2Å; R49-D54 PolarHBondContact NH2-OD2 3.15Å; D54-E56 VanDerWaalsContact C-N 3.27Å; D54-E56 PolarHBondContact O-N 2.94Å; D54-A57 HydrophobicContact CB-CB 4.3Å; D54-A57 VanDerWaalsContact OD1-CB 3.27Å; D54-A57 WeakPolarHBondContact OD1-CB 3.18Å; D54-A57 PolarHBondContact OD1-N 2.98Å; D54-L58 WeakPolarHBondContact O-CB 3.41Å; D54-L58 PolarHBondContact O-N 3.21Å
55F97.6Very high95.7Very high33 Ų3369.7 Ų69.715%0.14541%0.406CS..Hα-helixtrans-66.2-29.2178.8-75.1-74.4000112.9L31 R36 D37 L40 F43 K53 L58 L59L31-F55 HydrophobicContact CD1-CD1 3.99Å; R36-F55 HydrophobicContact CB-CD1 4.22Å; R36-F55 HydrophobicContact CB-CE1 3.89Å; R36-F55 HydrophobicContact CB-CZ 4.49Å; R36-F55 HydrophobicContact CG-CD1 3.76Å; R36-F55 HydrophobicContact CG-CE1 3.71Å; R36-F55 HydrophobicContact CG-CE2 4.47Å; R36-F55 HydrophobicContact CG-CG 4.18Å; R36-F55 HydrophobicContact CG-CZ 4.1Å; D37-F55 HydrophobicContact CB-CE2 4.32Å; D37-F55 HydrophobicContact CB-CZ 4.33Å; L40-F55 HydrophobicContact CD2-CE1 4.05Å; F43-F55 AromaticContact CD2-CE1 3.97Å; F43-F55 HydrophobicContact CD2-CE1 3.97Å; F43-F55 HydrophobicContact CD2-CZ 4.19Å; F43-F55 AromaticContact CE2-CD1 3.89Å; F43-F55 HydrophobicContact CE2-CD1 3.89Å; F43-F55 AromaticContact CE2-CE1 3.52Å; F43-F55 HydrophobicContact CE2-CE1 3.52Å; F43-F55 AromaticContact CE2-CZ 3.91Å; F43-F55 HydrophobicContact CE2-CZ 3.91Å; K53-F55 HydrophobicContact CB-CD2 3.99Å; K53-F55 HydrophobicContact CB-CE2 3.62Å; K53-F55 HydrophobicContact CB-CZ 4.14Å; K53-F55 HydrophobicContact CD-CE2 3.75Å; K53-F55 HydrophobicContact CD-CZ 3.65Å; K53-F55 HydrophobicContact CG-CE2 4.37Å; K53-F55 PolarHBondContact O-N 3.35Å; K53-F55 VanDerWaalsContact O-N 3.16Å; F55-L58 PolarHBondContact O-N 3.27Å; F55-L59 WeakPolarHBondContact O-CB 3.28Å; F55-L59 WeakPolarHBondContact O-CD1 3.45Å; F55-L59 VanDerWaalsContact O-CG 3.27Å; F55-L59 WeakPolarHBondContact O-CG 3.46Å; F55-L59 PolarHBondContact O-N 2.91Å
56E97.5Very high95.6Very high162 Ų16266.6 Ų66.676%0.75738%0.38SS*.Hα-helixtrans-68.2-49-179.4-67.2-175.9179.700111D54 L58 L59 A60D54-E56 VanDerWaalsContact C-N 3.27Å; D54-E56 PolarHBondContact O-N 2.94Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 2.85Å; E56-L59 PolarHBondContact O-N 3.28Å; E56-A60 WeakPolarHBondContact O-CB 3.38Å; E56-A60 PolarHBondContact O-N 3.14Å
57A97.5Very high95.6Very high36 Ų3664.1 Ų64.130%0.29836%0.359SS..Hα-helixtrans-60-41.7174.100000111.4Y47 D54 A60 D61Y47-A57 HydrophobicContact CD1-CB 4.06Å; Y47-A57 HydrophobicContact CE1-CB 4.27Å; D54-A57 HydrophobicContact CB-CB 4.3Å; D54-A57 VanDerWaalsContact OD1-CB 3.27Å; D54-A57 WeakPolarHBondContact OD1-CB 3.18Å; D54-A57 PolarHBondContact OD1-N 2.98Å; A57-A60 PolarHBondContact O-N 3.12Å; A57-D61 PolarHBondContact O-N 2.87Å
58L98.2Very high95.4Very high0 Ų062.9 Ų62.90%035%0.354CS..Hα-helixtrans-65.5-42.4179.5-173.755.2000112.5F27 L31 L40 F43 P44 Y47 D54 F55 E56 A60 D61 A62 L85F27-L58 HydrophobicContact CZ-CD1 3.99Å; F27-L58 HydrophobicContact CZ-CD2 4.18Å; F27-L58 HydrophobicContact CZ-CG 4.24Å; L31-L58 HydrophobicContact CD1-CB 4.31Å; L31-L58 HydrophobicContact CD1-CD2 3.74Å; L31-L58 HydrophobicContact CD1-CG 3.84Å; L31-L58 HydrophobicContact CD2-CD2 4.44Å; L31-L58 HydrophobicContact CD2-CG 3.89Å; L40-L58 HydrophobicContact CD2-CD2 3.82Å; F43-L58 HydrophobicContact CD2-CD2 4.36Å; F43-L58 HydrophobicContact CE2-CD2 3.57Å; F43-L58 HydrophobicContact CZ-CD2 3.84Å; P44-L58 HydrophobicContact CG-CD1 3.98Å; P44-L58 HydrophobicContact CG-CD2 3.66Å; P44-L58 HydrophobicContact CG-CG 4.49Å; Y47-L58 HydrophobicContact CD1-CB 3.74Å; Y47-L58 HydrophobicContact CD1-CD1 4.01Å; Y47-L58 HydrophobicContact CD1-CG 4.45Å; Y47-L58 HydrophobicContact CD2-CD1 3.67Å; Y47-L58 HydrophobicContact CE1-CB 4.19Å; Y47-L58 HydrophobicContact CE1-CD1 4Å; Y47-L58 HydrophobicContact CE2-CD1 3.66Å; Y47-L58 HydrophobicContact CG-CB 4.04Å; Y47-L58 HydrophobicContact CG-CD1 3.85Å; Y47-L58 HydrophobicContact CG-CG 4.39Å; D54-L58 WeakPolarHBondContact O-CB 3.41Å; D54-L58 PolarHBondContact O-N 3.21Å; F55-L58 PolarHBondContact O-N 3.27Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 2.85Å; L58-A60 VanDerWaalsContact C-N 3.35Å; L58-D61 PolarHBondContact O-N 3.35Å; L58-A62 WeakPolarHBondContact O-CB 3.33Å; L58-A62 PolarHBondContact O-N 3.49Å; L58-L85 HydrophobicContact CD1-CD1 3.91Å; L58-L85 HydrophobicContact CD1-CD2 4.18Å
59L97.8Very high95.3Very high58 Ų5866.2 Ų66.230%0.30436%0.362SS..Hα-helixtrans-62.6-41.7173.7-79.6163.7000111.7L31 F55 E56 D61 A62 S63L31-L59 HydrophobicContact CD1-CD2 4.2Å; L31-L59 HydrophobicContact CD1-CG 4.07Å; L31-L59 HydrophobicContact CD2-CD2 4.14Å; L31-L59 HydrophobicContact CD2-CG 4.46Å; L31-L59 HydrophobicContact CG-CD2 3.72Å; L31-L59 HydrophobicContact CG-CG 4.12Å; F55-L59 WeakPolarHBondContact O-CB 3.28Å; F55-L59 WeakPolarHBondContact O-CD1 3.45Å; F55-L59 VanDerWaalsContact O-CG 3.27Å; F55-L59 WeakPolarHBondContact O-CG 3.46Å; F55-L59 PolarHBondContact O-N 2.91Å; E56-L59 PolarHBondContact O-N 3.28Å; L59-D61 PolarHBondContact O-N 3.17Å; L59-A62 PolarHBondContact O-N 2.97Å; L59-S63 WeakPolarHBondContact O-CB 3.37Å; L59-S63 PolarHBondContact O-N 3.04Å; L59-S63 PolarHBondContact O-OG 3.43Å
60A97.1Very high95.3Very high41 Ų4161.6 Ų61.634%0.33935%0.349SS..Hα-helixtrans-66.9-34.8-179.900000112.7E56 A57 L58 S63 K64E56-A60 WeakPolarHBondContact O-CB 3.38Å; E56-A60 PolarHBondContact O-N 3.14Å; A57-A60 PolarHBondContact O-N 3.12Å; L58-A60 VanDerWaalsContact C-N 3.35Å; A60-S63 PolarHBondContact O-OG 3.45Å; A60-S63 VanDerWaalsContact O-OG 3.04Å; A60-K64 WeakPolarHBondContact O-CD 3.29Å; A60-K64 VanDerWaalsContact O-CE 3.28Å; A60-K64 WeakPolarHBondContact O-CE 3.18Å; A60-K64 WeakPolarHBondContact O-CG 3.31Å
61D96.7Very high95.3Very high18 Ų1858.2 Ų58.210%0.09631%0.314CS..Hα-helixtrans-80.7-38.5175-73.2-21.6000111.7Y47 A57 L58 L59 S63 K64 R81Y47-D61 HydrophobicContact CE1-CB 4.4Å; Y47-D61 WeakPolarHBondContact CE1-OD2 3.18Å; Y47-D61 WeakPolarHBondContact OH-CB 3.2Å; Y47-D61 PolarHBondContact OH-OD2 3.35Å; A57-D61 PolarHBondContact O-N 2.87Å; L58-D61 PolarHBondContact O-N 3.35Å; L59-D61 PolarHBondContact O-N 3.17Å; D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 PolarHBondContact O-N 2.92Å; D61-K64 PolarHBondContact O-N 2.75Å; D61-K64 VanDerWaalsContact O-N 3.12Å; D61-R81 WeakPolarHBondContact OD1-CD 3.45Å; D61-R81 IonicContact OD1-CZ 3.95Å; D61-R81 IonicContact OD1-NH1 2.94Å; D61-R81 PolarHBondContact OD1-NH1 2.91Å; D61-R81 WeakPolarHBondContact OD2-CD 3.29Å; D61-R81 IonicContact OD2-NH1 3.67Å
62A96.5Very high95.4Very high15 Ų1551.8 Ų51.812%0.12428%0.279CS..Hα-helixtrans-62.9-35.6176.600000112.8F27 L31 L58 L59 K64 L65 L85F27-A62 HydrophobicContact CE1-CB 4.39Å; L31-A62 HydrophobicContact CD2-CB 3.5Å; L58-A62 WeakPolarHBondContact O-CB 3.33Å; L58-A62 PolarHBondContact O-N 3.49Å; L59-A62 PolarHBondContact O-N 2.97Å; A62-K64 PolarHBondContact O-N 3.45Å; A62-L65 HydrophobicContact CB-CD1 4.49Å; A62-L65 WeakPolarHBondContact O-CB 3.45Å; A62-L65 WeakPolarHBondContact O-CG 3.3Å; A62-L65 PolarHBondContact O-N 3.31Å; A62-L85 HydrophobicContact CB-CD2 4.29Å
63S94.9Very high95.2Very high86 Ų8654.8 Ų54.860%0.60128%0.284SS*.THydrogen-bonded Turntrans-68.6-17.5176.663.10000113.8L59 A60 D61L59-S63 WeakPolarHBondContact O-CB 3.37Å; L59-S63 PolarHBondContact O-N 3.04Å; L59-S63 PolarHBondContact O-OG 3.43Å; A60-S63 PolarHBondContact O-OG 3.45Å; A60-S63 VanDerWaalsContact O-OG 3.04Å; D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 PolarHBondContact O-N 2.92Å
64K94.6Very high94.5Very high138 Ų13853 Ų5360%0.628%0.278SS*.THydrogen-bonded Turntrans-95.70.5177.2-62.6168.6-169.5161.50113A60 D61 A62 P66A60-K64 WeakPolarHBondContact O-CD 3.29Å; A60-K64 VanDerWaalsContact O-CE 3.28Å; A60-K64 WeakPolarHBondContact O-CE 3.18Å; A60-K64 WeakPolarHBondContact O-CG 3.31Å; D61-K64 PolarHBondContact O-N 2.75Å; D61-K64 VanDerWaalsContact O-N 3.12Å; A62-K64 PolarHBondContact O-N 3.45Å; K64-P66 VanDerWaalsContact O-CD 3.26Å; K64-P66 WeakPolarHBondContact O-CD 3.36Å
65L94.5Very high92.8Very high9 Ų955.7 Ų55.75%0.04730%0.301CS..PPolyproline II helixtrans-66.8116.1177.6-70.2177.4000109.7A62 A82 L85 V86 W200 H202A62-L65 HydrophobicContact CB-CD1 4.49Å; A62-L65 WeakPolarHBondContact O-CB 3.45Å; A62-L65 WeakPolarHBondContact O-CG 3.3Å; A62-L65 PolarHBondContact O-N 3.31Å; L65-A82 VanDerWaalsContact CD2-CA 3.47Å; L65-A82 HydrophobicContact CD2-CB 3.47Å; L65-A82 VanDerWaalsContact CD2-CB 3.47Å; L65-L85 HydrophobicContact CD1-CD2 3.86Å; L65-L85 HydrophobicContact CD1-CG 4.48Å; L65-L85 HydrophobicContact CD2-CD2 4.29Å; L65-L85 HydrophobicContact CG-CD2 4.32Å; L65-V86 HydrophobicContact CD2-CG2 4.25Å; L65-W200 HydrophobicContact CB-CZ2 3.96Å; L65-H202 PolarHBondContact O-CD2 2.92Å; L65-H202 VanDerWaalsContact O-CD2 3.28Å
66P94.1Very high91.2Very high12 Ų1257.3 Ų57.38%0.07833%0.327CS..PPolyproline II helixtrans-71.2165.117232.2-34.3000110.1K64 E70 L71 W200K64-P66 VanDerWaalsContact O-CD 3.26Å; K64-P66 WeakPolarHBondContact O-CD 3.36Å; P66-E70 HydrophobicContact CB-CB 4.23Å; P66-E70 HydrophobicContact CB-CG 4.04Å; P66-L71 HydrophobicContact CG-CB 4.2Å; P66-L71 HydrophobicContact CG-CD1 4.1Å; P66-W200 WeakPolarHBondContact O-CH2 3.47Å; P66-W200 WeakPolarHBondContact O-CZ2 3.19Å
67N94.2Very high89.6Confident46 Ų4654 Ų5425%0.24631%0.314CS..PPolyproline II helixtrans-56.9153.3172.868.781.6000110.7K69 E70 L71 H202N67-K69 VanDerWaalsContact C-N 3.28Å; N67-K69 PolarHBondContact O-N 3.3Å; N67-K69 WeakPolarHBondContact OD1-CB 3.17Å; N67-K69 PolarHBondContact OD1-N 2.99Å; N67-K69 VanDerWaalsContact OD1-N 3.17Å; N67-E70 PolarHBondContact ND2-OE2 3.33Å; N67-E70 VanDerWaalsContact ND2-OE2 3.1Å; N67-E70 PolarHBondContact O-N 2.9Å; N67-E70 PolarHBondContact OD1-N 2.99Å; N67-L71 PolarHBondContact O-N 3.19Å; N67-H202 HydrophobicContact CB-CB 4Å; N67-H202 WeakPolarHBondContact CB-O 2.97Å
68L94.3Very high88.5Confident1 Ų157 Ų571%0.00533%0.325CS..Hα-helixtrans-62.8-32.2-174.3-69.3-175.3000113.4M17 A20 D21 E70 L71 L72 V86 W200M17-L68 HydrophobicContact CG-CB 4.46Å; A20-L68 HydrophobicContact CB-CD1 3.78Å; D21-L68 HydrophobicContact CB-CD1 3.92Å; L68-E70 PolarHBondContact O-N 3.49Å; L68-L71 HydrophobicContact CD2-CD2 4.2Å; L68-L71 PolarHBondContact O-N 3.4Å; L68-L72 HydrophobicContact CB-CD1 4.2Å; L68-L72 WeakPolarHBondContact O-CD1 3.35Å; L68-L72 PolarHBondContact O-N 3.22Å; L68-V86 HydrophobicContact CD2-CG1 4.35Å; L68-V86 HydrophobicContact CD2-CG2 4.49Å; L68-W200 HydrophobicContact CD2-CH2 4.33Å; L68-W200 HydrophobicContact CG-CH2 4.15Å; L68-W200 HydrophobicContact CG-CZ3 4.08Å
69K93.7Very high87.8Confident103 Ų10360.5 Ų60.545%0.44834%0.342SS..Hα-helixtrans-61.9-47.3177.7-66.7178.6178177.90111.1M17 N67 L72 Q73 L204M17-K69 HydrophobicContact CE-CG 4.21Å; M17-K69 HydrophobicContact SD-CD 4.45Å; M17-K69 HydrophobicContact SD-CG 3.56Å; M17-K69 VanDerWaalsContact SD-CG 3.56Å; N67-K69 VanDerWaalsContact C-N 3.28Å; N67-K69 PolarHBondContact O-N 3.3Å; N67-K69 WeakPolarHBondContact OD1-CB 3.17Å; N67-K69 PolarHBondContact OD1-N 2.99Å; N67-K69 VanDerWaalsContact OD1-N 3.17Å; K69-L72 PolarHBondContact O-N 3.1Å; K69-Q73 WeakPolarHBondContact O-CB 3.41Å; K69-Q73 WeakPolarHBondContact O-CG 3.18Å; K69-Q73 PolarHBondContact O-N 3.27Å; K69-L204 HydrophobicContact CD-CD2 4.17Å; K69-L204 HydrophobicContact CG-CD2 4.47Å
70E93Very high87.4Confident93 Ų9362.4 Ų62.444%0.43535%0.348SS..Hα-helixtrans-62.8-43.3175.9-178.1-178.5168.300111.3P66 N67 L68 L72 Q73 S74P66-E70 HydrophobicContact CB-CB 4.23Å; P66-E70 HydrophobicContact CB-CG 4.04Å; N67-E70 PolarHBondContact ND2-OE2 3.33Å; N67-E70 VanDerWaalsContact ND2-OE2 3.1Å; N67-E70 PolarHBondContact O-N 2.9Å; N67-E70 PolarHBondContact OD1-N 2.99Å; L68-E70 PolarHBondContact O-N 3.49Å; E70-L72 PolarHBondContact O-N 3Å; E70-Q73 PolarHBondContact O-N 3.1Å; E70-S74 WeakPolarHBondContact O-CB 3.28Å; E70-S74 PolarHBondContact O-N 2.91Å
71L91.9Very high87.2Confident1 Ų167.8 Ų67.81%0.00536%0.359CS..Hα-helixtrans-60.4-46178.2-170.263.5000111.8P66 N67 L68 S74 H79 A82 W83 V86P66-L71 HydrophobicContact CG-CB 4.2Å; P66-L71 HydrophobicContact CG-CD1 4.1Å; N67-L71 PolarHBondContact O-N 3.19Å; L68-L71 HydrophobicContact CD2-CD2 4.2Å; L68-L71 PolarHBondContact O-N 3.4Å; L71-S74 PolarHBondContact O-N 3.21Å; L71-H79 HydrophobicContact CD1-CB 4.05Å; L71-A82 HydrophobicContact CD1-CB 3.96Å; L71-W83 HydrophobicContact CD1-CD2 4.19Å; L71-W83 HydrophobicContact CD1-CG 4.32Å; L71-W83 HydrophobicContact CD1-CZ2 4.29Å; L71-W83 HydrophobicContact CD2-CD2 4.31Å; L71-W83 HydrophobicContact CD2-CE3 4.3Å; L71-W83 HydrophobicContact CD2-CH2 4.41Å; L71-W83 HydrophobicContact CD2-CZ2 4.44Å; L71-W83 HydrophobicContact CD2-CZ3 4.33Å; L71-W83 HydrophobicContact CG-CD2 4.15Å; L71-W83 HydrophobicContact CG-CE3 4.5Å; L71-W83 HydrophobicContact CG-CH2 4.1Å; L71-W83 HydrophobicContact CG-CZ2 3.73Å; L71-W83 HydrophobicContact CG-CZ3 4.47Å; L71-W83 WeakPolarHBondContact O-CZ2 3.05Å; L71-V86 HydrophobicContact CD2-CB 4.17Å; L71-V86 HydrophobicContact CD2-CG1 4.3Å; L71-V86 HydrophobicContact CD2-CG2 3.75Å
72L91.3Very high87Confident36 Ų3667.4 Ų67.419%0.18836%0.358CS..Hα-helixtrans-68-34.4178.8-86.798.8000113.3R10 A13 L68 K69 E70 W83R10-L72 HydrophobicContact CG-CD2 4.34Å; A13-L72 HydrophobicContact CB-CD1 3.95Å; L68-L72 HydrophobicContact CB-CD1 4.2Å; L68-L72 WeakPolarHBondContact O-CD1 3.35Å; L68-L72 PolarHBondContact O-N 3.22Å; K69-L72 PolarHBondContact O-N 3.1Å; E70-L72 PolarHBondContact O-N 3Å; L72-W83 HydrophobicContact CG-CH2 4.38Å
73Q88.8Confident86.8Confident157 Ų15767 Ų6773%0.73435%0.354SS*.Hα-helixtrans-80.9-18.5-179.4-70.7170.30.500113K69 E70 S75K69-Q73 WeakPolarHBondContact O-CB 3.41Å; K69-Q73 WeakPolarHBondContact O-CG 3.18Å; K69-Q73 PolarHBondContact O-N 3.27Å; E70-Q73 PolarHBondContact O-N 3.1Å; Q73-S75 PolarHBondContact O-N 3.23Å
74S83.1Confident86.8Confident21 Ų2166.1 Ų66.115%0.14734%0.342CS..  trans-60.8122.8178.7-168.30000111.4R10 E70 L71R10-S74 PolarHBondContact NH2-O 3.17Å; E70-S74 WeakPolarHBondContact O-CB 3.28Å; E70-S74 PolarHBondContact O-N 2.91Å; L71-S74 PolarHBondContact O-N 3.21Å
75S62Low86.9Confident103 Ų10359.7 Ų59.772%0.7231%0.314SS*.  trans-96.2141.7173.955.70000110.8Q73Q73-S75 PolarHBondContact O-N 3.23Å
76G62.9Low87Confident67 Ų6759.4 Ų59.469%0.69131%0.313SS*.SBendtrans92.4-169.6179.500000114.9N78G76-N78 PolarHBondContact O-N 3.34Å
77D65.4Low87.1Confident92 Ų9259.4 Ų59.449%0.49231%0.313SS..SBendtrans-84.619.7-176.1-157.111.8000112.7K80D77-K80 WeakPolarHBondContact O-CG 3.38Å; D77-K80 WeakPolarHBondContact OD1-CE 3.48Å; D77-K80 WeakPolarHBondContact OD1-CG 3.44Å; D77-K80 IonicContact OD1-NZ 2.77Å; D77-K80 PolarHBondContact OD1-NZ 3.44Å; D77-K80 WeakPolarHBondContact OD2-CE 3.42Å; D77-K80 IonicContact OD2-NZ 2.56Å; D77-K80 PolarHBondContact OD2-NZ 2.87Å
78N74.2Confident87.2Confident100 Ų10060.3 Ų60.354%0.53531%0.313SS..THydrogen-bonded Turntrans-74.6143.3178-67.5-36.4000109.4G76G76-N78 PolarHBondContact O-N 3.34Å
79H83.2Confident87.3Confident74 Ų7460.5 Ų60.534%0.34331%0.314SS..THydrogen-bonded Turntrans64.234179.5-46.8-72.5000116.7L71 R81 A82 W83L71-H79 HydrophobicContact CD1-CB 4.05Å; H79-R81 VanDerWaalsContact C-N 3.31Å; H79-R81 PolarHBondContact O-N 3.27Å; H79-A82 HydrophobicContact CB-CB 3.81Å; H79-A82 WeakPolarHBondContact O-CA 3.2Å; H79-A82 WeakPolarHBondContact O-CB 3.09Å; H79-A82 PolarHBondContact O-N 3.48Å; H79-W83 PolarHBondContact O-N 3.11Å
80K89.3Confident87.5Confident98 Ų9856.4 Ų56.443%0.42630%0.297SS..Hα-helixtrans-44.4-51.8175.5-57.6-170.9-170.3-113.40113.8W6 D77 A82 W83 D84W6-K80 HydrophobicContact CH2-CB 3.88Å; W6-K80 HydrophobicContact CH2-CD 4.27Å; W6-K80 HydrophobicContact CH2-CG 3.78Å; W6-K80 HydrophobicContact CZ2-CB 4.08Å; W6-K80 HydrophobicContact CZ2-CG 4.46Å; D77-K80 WeakPolarHBondContact O-CG 3.38Å; D77-K80 WeakPolarHBondContact OD1-CE 3.48Å; D77-K80 WeakPolarHBondContact OD1-CG 3.44Å; D77-K80 IonicContact OD1-NZ 2.77Å; D77-K80 PolarHBondContact OD1-NZ 3.44Å; D77-K80 WeakPolarHBondContact OD2-CE 3.42Å; D77-K80 IonicContact OD2-NZ 2.56Å; D77-K80 PolarHBondContact OD2-NZ 2.87Å; K80-A82 VanDerWaalsContact C-N 3.3Å; K80-A82 PolarHBondContact O-N 3Å; K80-W83 PolarHBondContact O-N 3.5Å; K80-D84 VanDerWaalsContact O-CG 3.27Å; K80-D84 PolarHBondContact O-N 3.36Å
81R91.7Very high87.5Confident153 Ų15355.3 Ų55.358%0.57730%0.3SS*.Hα-helixtrans-63.7-34.4-180-65.5-169.5-170.4177.3-0.9113.1D61 H79 L85D61-R81 WeakPolarHBondContact OD1-CD 3.45Å; D61-R81 IonicContact OD1-CZ 3.95Å; D61-R81 IonicContact OD1-NH1 2.94Å; D61-R81 PolarHBondContact OD1-NH1 2.91Å; D61-R81 WeakPolarHBondContact OD2-CD 3.29Å; D61-R81 IonicContact OD2-NH1 3.67Å; H79-R81 VanDerWaalsContact C-N 3.31Å; H79-R81 PolarHBondContact O-N 3.27Å; R81-L85 WeakPolarHBondContact O-CB 3.48Å; R81-L85 PolarHBondContact O-N 3.42Å
82A93.4Very high87.5Confident10 Ų1056.7 Ų56.78%0.08331%0.309CS..Hα-helixtrans-67.4-43.8175.900000110.5L65 L71 H79 K80 L85 V86L65-A82 VanDerWaalsContact CD2-CA 3.47Å; L65-A82 HydrophobicContact CD2-CB 3.47Å; L65-A82 VanDerWaalsContact CD2-CB 3.47Å; L71-A82 HydrophobicContact CD1-CB 3.96Å; H79-A82 HydrophobicContact CB-CB 3.81Å; H79-A82 WeakPolarHBondContact O-CA 3.2Å; H79-A82 WeakPolarHBondContact O-CB 3.09Å; H79-A82 PolarHBondContact O-N 3.48Å; K80-A82 VanDerWaalsContact C-N 3.3Å; K80-A82 PolarHBondContact O-N 3Å; A82-L85 PolarHBondContact O-N 3.21Å; A82-V86 WeakPolarHBondContact O-CB 3.19Å; A82-V86 WeakPolarHBondContact O-CG2 3.41Å; A82-V86 PolarHBondContact O-N 3.33Å
83W93.1Very high87.6Confident8 Ų864 Ų643%0.0334%0.34CS..Hα-helixtrans-64.1-41.2175-83.2116.8000112.4W6 A9 R10 L71 L72 H79 K80 L85 S87W6-W83 HydrophobicContact CD2-CB 3.93Å; W6-W83 HydrophobicContact CG-CB 3.93Å; W6-W83 HydrophobicContact CG-CG 4.49Å; A9-W83 HydrophobicContact CB-CZ3 4.41Å; R10-W83 HydrophobicContact CB-CH2 3.76Å; R10-W83 HydrophobicContact CB-CZ3 4.01Å; R10-W83 HydrophobicContact CG-CH2 4.08Å; L71-W83 HydrophobicContact CD1-CD2 4.19Å; L71-W83 HydrophobicContact CD1-CG 4.32Å; L71-W83 HydrophobicContact CD1-CZ2 4.29Å; L71-W83 HydrophobicContact CD2-CD2 4.31Å; L71-W83 HydrophobicContact CD2-CE3 4.3Å; L71-W83 HydrophobicContact CD2-CH2 4.41Å; L71-W83 HydrophobicContact CD2-CZ2 4.44Å; L71-W83 HydrophobicContact CD2-CZ3 4.33Å; L71-W83 HydrophobicContact CG-CD2 4.15Å; L71-W83 HydrophobicContact CG-CE3 4.5Å; L71-W83 HydrophobicContact CG-CH2 4.1Å; L71-W83 HydrophobicContact CG-CZ2 3.73Å; L71-W83 HydrophobicContact CG-CZ3 4.47Å; L71-W83 WeakPolarHBondContact O-CZ2 3.05Å; L72-W83 HydrophobicContact CG-CH2 4.38Å; H79-W83 PolarHBondContact O-N 3.11Å; K80-W83 PolarHBondContact O-N 3.5Å; W83-L85 VanDerWaalsContact C-N 3.34Å; W83-L85 PolarHBondContact O-N 3.46Å; W83-S87 WeakPolarHBondContact O-CB 3.5Å; W83-S87 PolarHBondContact O-N 3.43Å; W83-S87 PolarHBondContact O-OG 2.97Å
84D94.4Very high87.9Confident67 Ų6761.1 Ų61.136%0.35833%0.328SS..Hα-helixtrans-58.3-47.6174.3-69.1-31.8000111.1W6 K80 W88W6-D84 WeakPolarHBondContact CZ2-OD1 3.13Å; W6-D84 PolarHBondContact NE1-OD1 2.95Å; K80-D84 VanDerWaalsContact O-CG 3.27Å; K80-D84 PolarHBondContact O-N 3.36Å; D84-W88 PolarHBondContact O-N 3.03Å
85L96.3Very high88.5Confident2 Ų260.2 Ų60.21%0.0132%0.322CS..Hα-helixtrans-68.4-47.7-179-176.454.8000112.4F27 Y47 L58 A62 L65 R81 A82 W83 S87 W88 I89F27-L85 HydrophobicContact CE1-CD1 4.25Å; F27-L85 HydrophobicContact CE1-CD2 4.2Å; F27-L85 HydrophobicContact CE1-CG 4.48Å; F27-L85 HydrophobicContact CE2-CD1 4.43Å; F27-L85 HydrophobicContact CZ-CD1 3.84Å; F27-L85 HydrophobicContact CZ-CD2 4.44Å; Y47-L85 HydrophobicContact CE2-CD1 4.49Å; L58-L85 HydrophobicContact CD1-CD1 3.91Å; L58-L85 HydrophobicContact CD1-CD2 4.18Å; A62-L85 HydrophobicContact CB-CD2 4.29Å; L65-L85 HydrophobicContact CD1-CD2 3.86Å; L65-L85 HydrophobicContact CD1-CG 4.48Å; L65-L85 HydrophobicContact CD2-CD2 4.29Å; L65-L85 HydrophobicContact CG-CD2 4.32Å; R81-L85 WeakPolarHBondContact O-CB 3.48Å; R81-L85 PolarHBondContact O-N 3.42Å; A82-L85 PolarHBondContact O-N 3.21Å; W83-L85 VanDerWaalsContact C-N 3.34Å; W83-L85 PolarHBondContact O-N 3.46Å; L85-S87 VanDerWaalsContact C-N 3.34Å; L85-S87 PolarHBondContact O-N 2.78Å; L85-W88 HydrophobicContact CD1-CE3 4.45Å; L85-W88 WeakPolarHBondContact O-CB 3.31Å; L85-W88 PolarHBondContact O-N 3.5Å; L85-I89 HydrophobicContact CD1-CD1 4.43Å; L85-I89 HydrophobicContact CG-CD1 4.17Å; L85-I89 VanDerWaalsContact O-CG1 3.3Å; L85-I89 WeakPolarHBondContact O-CG1 3.43Å; L85-I89 PolarHBondContact O-N 3.38Å
86V96.2Very high90.2Very high3 Ų356.9 Ų56.92%0.01830%0.297CS..Hα-helixtrans-64.2-40.4177.5171.40000111L65 L68 L71 A82 W88 I89 L90L65-V86 HydrophobicContact CD2-CG2 4.25Å; L68-V86 HydrophobicContact CD2-CG1 4.35Å; L68-V86 HydrophobicContact CD2-CG2 4.49Å; L71-V86 HydrophobicContact CD2-CB 4.17Å; L71-V86 HydrophobicContact CD2-CG1 4.3Å; L71-V86 HydrophobicContact CD2-CG2 3.75Å; A82-V86 WeakPolarHBondContact O-CB 3.19Å; A82-V86 WeakPolarHBondContact O-CG2 3.41Å; A82-V86 PolarHBondContact O-N 3.33Å; V86-W88 VanDerWaalsContact C-N 3.29Å; V86-W88 PolarHBondContact O-N 2.92Å; V86-I89 PolarHBondContact O-N 3.32Å; V86-L90 HydrophobicContact CG1-CD1 3.82Å; V86-L90 HydrophobicContact CG1-CG 4.22Å; V86-L90 WeakPolarHBondContact O-CB 3.49Å; V86-L90 VanDerWaalsContact O-CG 3.3Å; V86-L90 WeakPolarHBondContact O-CG 3.46Å; V86-L90 PolarHBondContact O-N 2.97Å
87S95.9Very high91.9Very high13 Ų1353.9 Ų53.99%0.09127%0.265CS..Hα-helixtrans-59.3-44175-58.70000110.9A9 W83 L85 L90 S91A9-S87 WeakPolarHBondContact CB-OG 3.16Å; W83-S87 WeakPolarHBondContact O-CB 3.5Å; W83-S87 PolarHBondContact O-N 3.43Å; W83-S87 PolarHBondContact O-OG 2.97Å; L85-S87 VanDerWaalsContact C-N 3.34Å; L85-S87 PolarHBondContact O-N 2.78Å; S87-L90 PolarHBondContact O-N 2.74Å; S87-S91 WeakPolarHBondContact O-CB 3.48Å; S87-S91 PolarHBondContact O-N 3.24Å
88W97.1Very high93.5Very high64 Ų6452.6 Ų52.624%0.24226%0.256CS..Hα-helixtrans-61.3-48.8174.717884.9000112.1F27 P42 P44 D84 L85 V86 L90 S91F27-W88 AromaticContact CD2-CZ3 3.76Å; F27-W88 HydrophobicContact CD2-CZ3 3.76Å; F27-W88 HydrophobicContact CE2-CE3 4.45Å; F27-W88 HydrophobicContact CE2-CH2 4.47Å; F27-W88 AromaticContact CE2-CZ3 3.68Å; F27-W88 HydrophobicContact CE2-CZ3 3.68Å; P42-W88 HydrophobicContact CB-CZ2 4.21Å; P42-W88 HydrophobicContact CG-CH2 4.43Å; P42-W88 HydrophobicContact CG-CZ2 4.3Å; P42-W88 WeakPolarHBondContact O-CH2 3.48Å; P44-W88 VanDerWaalsContact CA-CE2 3.46Å; P44-W88 HydrophobicContact CB-CD2 3.67Å; P44-W88 HydrophobicContact CB-CE3 3.93Å; P44-W88 HydrophobicContact CB-CG 4.13Å; P44-W88 HydrophobicContact CB-CH2 4.31Å; P44-W88 HydrophobicContact CB-CZ2 4.05Å; P44-W88 HydrophobicContact CB-CZ3 4.26Å; P44-W88 HydrophobicContact CG-CE3 4.44Å; P44-W88 HydrophobicContact CG-CH2 4.46Å; P44-W88 HydrophobicContact CG-CZ3 4.38Å; P44-W88 VanDerWaalsContact N-CZ2 3.32Å; D84-W88 PolarHBondContact O-N 3.03Å; L85-W88 HydrophobicContact CD1-CE3 4.45Å; L85-W88 WeakPolarHBondContact O-CB 3.31Å; L85-W88 PolarHBondContact O-N 3.5Å; V86-W88 VanDerWaalsContact C-N 3.29Å; V86-W88 PolarHBondContact O-N 2.92Å; W88-L90 PolarHBondContact O-N 3.36Å; W88-S91 PolarHBondContact O-N 2.93Å; W88-S91 VanDerWaalsContact O-N 3.12Å; W88-S91 PolarHBondContact O-OG 3.46Å
89I97.5Very high94.7Very high6 Ų650.1 Ų50.13%0.03125%0.247CC..Hα-helixtrans-54.7-38.2177.5-68.1167000110.6R23 F27 L85 V86R23-I89 HydrophobicContact CB-CG2 3.78Å; R23-I89 PolarHBondContact NE-O 3.07Å; R23-I89 PolarHBondContact NH2-O 2.9Å; F27-I89 HydrophobicContact CB-CD1 4.11Å; F27-I89 HydrophobicContact CB-CG1 4.29Å; F27-I89 HydrophobicContact CD1-CD1 3.57Å; F27-I89 HydrophobicContact CD1-CG1 4.27Å; F27-I89 HydrophobicContact CD2-CD1 4.29Å; F27-I89 HydrophobicContact CD2-CG1 4.09Å; F27-I89 HydrophobicContact CE1-CD1 4.07Å; F27-I89 HydrophobicContact CG-CD1 3.7Å; F27-I89 HydrophobicContact CG-CG1 3.94Å; L85-I89 HydrophobicContact CD1-CD1 4.43Å; L85-I89 HydrophobicContact CG-CD1 4.17Å; L85-I89 VanDerWaalsContact O-CG1 3.3Å; L85-I89 WeakPolarHBondContact O-CG1 3.43Å; L85-I89 PolarHBondContact O-N 3.38Å; V86-I89 PolarHBondContact O-N 3.32Å
90L96.4Very high95.3Very high17 Ų1747.7 Ų47.79%0.08924%0.24CC..Hα-helixtrans-86.6-13.3-176.4-60.1-176.5000114.8A13 A20 R23 V86 S87 W88 S92A13-L90 HydrophobicContact CB-CD1 3.94Å; A20-L90 HydrophobicContact CB-CD1 4.08Å; A20-L90 HydrophobicContact CB-CD2 3.93Å; R23-L90 HydrophobicContact CB-CD2 4.2Å; R23-L90 VanDerWaalsContact CZ-CA 3.46Å; R23-L90 PolarHBondContact NH1-O 2.97Å; R23-L90 PolarHBondContact NH2-O 3.12Å; V86-L90 HydrophobicContact CG1-CD1 3.82Å; V86-L90 HydrophobicContact CG1-CG 4.22Å; V86-L90 WeakPolarHBondContact O-CB 3.49Å; V86-L90 VanDerWaalsContact O-CG 3.3Å; V86-L90 WeakPolarHBondContact O-CG 3.46Å; V86-L90 PolarHBondContact O-N 2.97Å; S87-L90 PolarHBondContact O-N 2.74Å; W88-L90 PolarHBondContact O-N 3.36Å; L90-S92 VanDerWaalsContact C-N 3.35Å; L90-S92 PolarHBondContact O-N 2.95Å; L90-S92 VanDerWaalsContact O-N 3.14Å
91S94.2Very high95.5Very high70 Ų7045.4 Ų45.449%0.4924%0.243SC..  trans-77.67.9-166.466.80000118.7S87 W88 K93S87-S91 WeakPolarHBondContact O-CB 3.48Å; S87-S91 PolarHBondContact O-N 3.24Å; W88-S91 PolarHBondContact O-N 2.93Å; W88-S91 VanDerWaalsContact O-N 3.12Å; W88-S91 PolarHBondContact O-OG 3.46Å; S91-K93 PolarHBondContact O-N 3.45Å
92S92Very high95.5Very high29 Ų2946.9 Ų46.920%0.20325%0.254CS..  trans-52.4128.2-178.7174.40000112.6L90 I94 L95L90-S92 VanDerWaalsContact C-N 3.35Å; L90-S92 PolarHBondContact O-N 2.95Å; L90-S92 VanDerWaalsContact O-N 3.14Å; S92-I94 PolarHBondContact OG-N 3.39Å; S92-L95 VanDerWaalsContact CB-O 3.29Å; S92-L95 WeakPolarHBondContact CB-O 3.36Å; S92-L95 PolarHBondContact OG-N 2.99Å; S92-L95 PolarHBondContact OG-O 3.47Å
93K91.8Very high95.5Very high189 Ų18949.7 Ų49.782%0.82228%0.277SS*.SBendtrans-94.1-7.3174.7-61.6-175.4-178.6-178.60113.7S91S91-K93 PolarHBondContact O-N 3.45Å
94I95.1Very high95.6Very high97 Ų9751.7 Ų51.750%0.49729%0.287SS..SBendtrans-98.1-31-172.9-60172.9000110.9S92 F131 A134S92-I94 PolarHBondContact OG-N 3.39Å; I94-F131 PolarHBondContact O-N 3.25Å; I94-A134 HydrophobicContact CG2-CB 4.14Å
95L97.3Very high95.6Very high3 Ų349.7 Ų49.72%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-157.7160.4-173.762.387.5000111.1S92 I97 I128 E129 Y130 I163S92-L95 VanDerWaalsContact CB-O 3.29Å; S92-L95 WeakPolarHBondContact CB-O 3.36Å; S92-L95 PolarHBondContact OG-N 2.99Å; S92-L95 PolarHBondContact OG-O 3.47Å; L95-I97 HydrophobicContact CD1-CG1 4.45Å; L95-I128 HydrophobicContact CB-CG2 4.07Å; L95-I128 HydrophobicContact CD1-CG2 4.26Å; L95-I128 HydrophobicContact CD2-CG2 4.32Å; L95-I128 HydrophobicContact CG-CG2 4.44Å; L95-E129 CarbonylContact C-O 3.54Å; L95-E129 WeakPolarHBondContact CA-O 3.42Å; L95-E129 VanDerWaalsContact CB-O 3.25Å; L95-E129 WeakPolarHBondContact CB-O 3.11Å; L95-Y130 HydrophobicContact CB-CD1 4.03Å; L95-Y130 HydrophobicContact CB-CE1 4.36Å; L95-Y130 HydrophobicContact CD2-CD1 4.28Å; L95-Y130 HydrophobicContact CD2-CE1 3.85Å; L95-I163 HydrophobicContact CD1-CG2 3.7Å; L95-I163 HydrophobicContact CD2-CG2 4.12Å; L95-I163 WeakPolarHBondContact CD2-O 3.41Å
96T97.8Very high95.4Very high32 Ų3254.7 Ų54.720%0.19630%0.299CS..EExtended strand (participates in β ladder)trans-130.5168.9164.2-167.90000110.3H98 E129 F131T96-H98 VanDerWaalsContact CG2-NE2 3.3Å; T96-H98 WeakPolarHBondContact CG2-NE2 3.47Å; T96-E129 HydrophobicContact CG2-CB 4.02Å; T96-E129 PolarHBondContact N-O 2.69Å; T96-E129 PolarHBondContact O-N 2.89Å; T96-F131 HydrophobicContact CG2-CE1 3.99Å; T96-F131 HydrophobicContact CG2-CE2 4.44Å; T96-F131 HydrophobicContact CG2-CZ 3.52Å
97I98.6Very high95.4Very high4 Ų458.6 Ų58.62%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-121137.8178.1-56-177.2000108.1A19 L22 R23 L95 F126 E127 I128 I163 L268A19-I97 HydrophobicContact CB-CB 4.3Å; A19-I97 HydrophobicContact CB-CG2 4.14Å; A19-I97 VanDerWaalsContact CB-O 3.27Å; A19-I97 WeakPolarHBondContact CB-O 3.3Å; L22-I97 HydrophobicContact CD2-CG2 4.37Å; R23-I97 HydrophobicContact CG-CD1 3.82Å; L95-I97 HydrophobicContact CD1-CG1 4.45Å; I97-F126 HydrophobicContact CG2-CB 3.66Å; I97-F126 HydrophobicContact CG2-CD1 4.03Å; I97-F126 HydrophobicContact CG2-CG 4.16Å; I97-E127 WeakPolarHBondContact CA-O 3.25Å; I97-I128 HydrophobicContact CG1-CG1 4.43Å; I97-I163 HydrophobicContact CD1-CD1 3.96Å; I97-I163 HydrophobicContact CD1-CG2 4.26Å; I97-L268 HydrophobicContact CD1-CD1 4.39Å
98H98.3Very high95.4Very high66 Ų6658 Ų5831%0.30631%0.311SS..EExtended strand (participates in β ladder)trans-124.2142.2176.3-56.6-71000110.5T96 F126 E127 E129T96-H98 VanDerWaalsContact CG2-NE2 3.3Å; T96-H98 WeakPolarHBondContact CG2-NE2 3.47Å; H98-F126 CarbonylContact O-C 3.56Å; H98-F126 WeakPolarHBondContact O-CA 3.44Å; H98-E127 PolarHBondContact N-O 3.37Å; H98-E127 PolarHBondContact O-N 2.96Å; H98-E129 IonicContact CD2-OE2 3.31Å; H98-E129 IonicContact CE1-OE2 3.78Å; H98-E129 IonicContact NE2-OE2 3.24Å; H98-E129 PolarHBondContact NE2-OE2 3.3Å
99S98.4Very high95.2Very high47 Ų4758 Ų5833%0.32931%0.314SS..EExtended strand (participates in β ladder)trans-67.3132.5169.1-63.30000109.6D16 L18 F126D16-S99 VanDerWaalsContact CG-OG 3.31Å; D16-S99 PolarHBondContact OD1-OG 3.39Å; D16-S99 VanDerWaalsContact OD2-CB 3.32Å; D16-S99 WeakPolarHBondContact OD2-CB 3.46Å; D16-S99 PolarHBondContact OD2-N 3.21Å; D16-S99 PolarHBondContact OD2-OG 2.78Å; D16-S99 VanDerWaalsContact OD2-OG 3.11Å; L18-S99 WeakPolarHBondContact CB-OG 3.31Å; S99-F126 WeakPolarHBondContact OG-CE1 3.26Å
100A97.3Very high94.9Very high24 Ų2465.7 Ų65.720%0.19835%0.347CS..EExtended strand (participates in β ladder)trans-121.1147.9-179.800000111.2E104 L125A100-E104 HydrophobicContact CB-CB 4.12Å; A100-E104 HydrophobicContact CB-CG 4.17Å; A100-L125 HydrophobicContact CB-CB 4.47Å; A100-L125 HydrophobicContact CB-CD2 3.8Å; A100-L125 HydrophobicContact CB-CG 3.83Å; A100-L125 PolarHBondContact N-O 3.47Å
101G92.8Very high94.7Very high49 Ų4968.5 Ų68.551%0.50536%0.362SS..  trans-89179.7-17600000113.8A103 E104 L125G101-A103 PolarHBondContact O-N 3.37Å; G101-E104 PolarHBondContact O-N 2.89Å; G101-E104 VanDerWaalsContact O-N 3.14Å; G101-L125 WeakPolarHBondContact O-CD2 3.19Å
102K91.4Very high94.5Very high184 Ų18466 Ų6680%0.834%0.344SS*.Hα-helixtrans-58-32.3179.5-64-177.4179.7178.90113.8E104 F105 E106K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 PolarHBondContact O-N 3.48Å; K102-F105 WeakPolarHBondContact O-CB 3.47Å; K102-F105 PolarHBondContact O-N 2.86Å; K102-E106 PolarHBondContact O-N 3.29Å
103A93.6Very high94.2Very high69 Ų6966.3 Ų66.357%0.5735%0.351SS*.Hα-helixtrans-61.3-37.9178.300000112.6G101 F105 E106 K107G101-A103 PolarHBondContact O-N 3.37Å; A103-F105 VanDerWaalsContact C-N 3.32Å; A103-E106 PolarHBondContact O-N 3.25Å; A103-K107 PolarHBondContact O-N 2.84Å
104E95.3Very high93.4Very high50 Ų5061.2 Ų61.223%0.23434%0.344CS..Hα-helixtrans-69.7-32.1174.9-73.9-60.4117.100111.3A100 G101 K102 K107 I108 L125 Y267A100-E104 HydrophobicContact CB-CB 4.12Å; A100-E104 HydrophobicContact CB-CG 4.17Å; G101-E104 PolarHBondContact O-N 2.89Å; G101-E104 VanDerWaalsContact O-N 3.14Å; K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 PolarHBondContact O-N 3.48Å; E104-K107 WeakPolarHBondContact O-CB 3.09Å; E104-K107 PolarHBondContact O-N 3.24Å; E104-K107 IonicContact OE1-NZ 3.87Å; E104-K107 WeakPolarHBondContact OE2-CD 3.27Å; E104-K107 IonicContact OE2-NZ 3.87Å; E104-K107 PolarHBondContact OE2-NZ 3.47Å; E104-I108 VanDerWaalsContact O-CG1 3.27Å; E104-I108 WeakPolarHBondContact O-CG1 3.39Å; E104-I108 PolarHBondContact O-N 2.9Å; E104-L125 HydrophobicContact CB-CD2 3.64Å; E104-Y267 PolarHBondContact OE2-OH 3.35Å
105F94.4Very high92.5Very high25 Ų2559.3 Ų59.311%0.1134%0.338CS..Hα-helixtrans-65.1-42.8173.2-173.6-118.7000112K102 A103 K107 I108 Q109 A121 P122 L125 L269K102-F105 WeakPolarHBondContact O-CB 3.47Å; K102-F105 PolarHBondContact O-N 2.86Å; A103-F105 VanDerWaalsContact C-N 3.32Å; F105-K107 VanDerWaalsContact C-N 3.29Å; F105-K107 PolarHBondContact O-N 3.43Å; F105-I108 WeakPolarHBondContact O-CB 3.44Å; F105-I108 PolarHBondContact O-N 3.26Å; F105-Q109 HydrophobicContact CE1-CG 4.23Å; F105-Q109 HydrophobicContact CE2-CG 4.5Å; F105-Q109 HydrophobicContact CZ-CG 4.2Å; F105-Q109 WeakPolarHBondContact O-CG 3.11Å; F105-Q109 PolarHBondContact O-N 3.32Å; F105-A121 HydrophobicContact CE1-CB 4.34Å; F105-P122 HydrophobicContact CD2-CG 3.86Å; F105-P122 VanDerWaalsContact CE2-CD 3.5Å; F105-P122 HydrophobicContact CE2-CG 3.88Å; F105-P122 HydrophobicContact CG-CG 4.29Å; F105-P122 VanDerWaalsContact CZ-CD 3.44Å; F105-P122 HydrophobicContact CZ-CG 4.31Å; F105-L125 HydrophobicContact CB-CD2 4.08Å; F105-L269 HydrophobicContact CD2-CD2 4.14Å; F105-L269 HydrophobicContact CE2-CD1 4.38Å; F105-L269 HydrophobicContact CE2-CD2 4.24Å
106E93.2Very high91.5Very high108 Ų10866.6 Ų66.651%0.50537%0.372SS..Hα-helixtrans-61.7-38.1174.5-68172.8-166.600111.9K102 A103 Q109 K110K102-E106 PolarHBondContact O-N 3.29Å; A103-E106 PolarHBondContact O-N 3.25Å; E106-Q109 PolarHBondContact O-N 2.72Å; E106-K110 WeakPolarHBondContact O-CG 3.29Å; E106-K110 PolarHBondContact O-N 3.24Å
107K95.1Very high90.8Very high84 Ų8467.7 Ų67.737%0.36538%0.379SS..Hα-helixtrans-63.9-44.8173.1176.5-174.6165.7-1630111.6A103 E104 F105 Q109 K110 L111 Y267A103-K107 PolarHBondContact O-N 2.84Å; E104-K107 WeakPolarHBondContact O-CB 3.09Å; E104-K107 PolarHBondContact O-N 3.24Å; E104-K107 IonicContact OE1-NZ 3.87Å; E104-K107 WeakPolarHBondContact OE2-CD 3.27Å; E104-K107 IonicContact OE2-NZ 3.87Å; E104-K107 PolarHBondContact OE2-NZ 3.47Å; F105-K107 VanDerWaalsContact C-N 3.29Å; F105-K107 PolarHBondContact O-N 3.43Å; K107-Q109 VanDerWaalsContact C-N 3.32Å; K107-Q109 PolarHBondContact O-N 2.93Å; K107-K110 WeakPolarHBondContact O-CB 3.29Å; K107-K110 PolarHBondContact O-N 3.45Å; K107-K110 VanDerWaalsContact O-N 3.16Å; K107-L111 HydrophobicContact CG-CD1 3.93Å; K107-L111 HydrophobicContact CG-CG 4.49Å; K107-L111 VanDerWaalsContact O-CG 3.32Å; K107-L111 WeakPolarHBondContact O-CG 3.41Å; K107-L111 PolarHBondContact O-N 3.48Å; K107-Y267 PolarHBondContact NZ-OH 3.16Å
108I95.3Very high90.3Very high0 Ų074 Ų740%042%0.42CS..Hα-helixtrans-57.4-47.2174.3-69.8161.9000110E104 F105 K110 L111 T112 L125 F151 V214 Y267 L269E104-I108 VanDerWaalsContact O-CG1 3.27Å; E104-I108 WeakPolarHBondContact O-CG1 3.39Å; E104-I108 PolarHBondContact O-N 2.9Å; F105-I108 WeakPolarHBondContact O-CB 3.44Å; F105-I108 PolarHBondContact O-N 3.26Å; I108-K110 VanDerWaalsContact C-N 3.29Å; I108-K110 PolarHBondContact O-N 3.07Å; I108-L111 PolarHBondContact O-N 3.24Å; I108-L111 VanDerWaalsContact O-N 3.09Å; I108-T112 HydrophobicContact CG2-CG2 4.21Å; I108-T112 WeakPolarHBondContact O-CG2 3.17Å; I108-T112 PolarHBondContact O-N 3.04Å; I108-T112 PolarHBondContact O-OG1 3.16Å; I108-L125 HydrophobicContact CD1-CD1 3.73Å; I108-L125 HydrophobicContact CD1-CD2 4.22Å; I108-F151 HydrophobicContact CG2-CE1 4Å; I108-F151 HydrophobicContact CG2-CZ 4.13Å; I108-V214 HydrophobicContact CD1-CG2 4.43Å; I108-V214 HydrophobicContact CG2-CG1 4.16Å; I108-V214 HydrophobicContact CG2-CG2 4.18Å; I108-Y267 HydrophobicContact CD1-CD1 3.95Å; I108-Y267 HydrophobicContact CD1-CD2 3.86Å; I108-Y267 HydrophobicContact CD1-CE1 4.37Å; I108-Y267 HydrophobicContact CD1-CE2 4.3Å; I108-Y267 HydrophobicContact CD1-CG 3.67Å; I108-Y267 HydrophobicContact CG1-CD2 3.99Å; I108-Y267 HydrophobicContact CG1-CE2 4.08Å; I108-Y267 HydrophobicContact CG1-CG 4.31Å; I108-L269 HydrophobicContact CD1-CD2 4.33Å
109Q92.8Very high89.9Confident65 Ų6572.3 Ų72.330%0.30441%0.414SS..Hα-helixtrans-59.6-37.4177.5-70.3-179.8-48.200112.8F105 E106 K107 G113F105-Q109 HydrophobicContact CE1-CG 4.23Å; F105-Q109 HydrophobicContact CE2-CG 4.5Å; F105-Q109 HydrophobicContact CZ-CG 4.2Å; F105-Q109 WeakPolarHBondContact O-CG 3.11Å; F105-Q109 PolarHBondContact O-N 3.32Å; E106-Q109 PolarHBondContact O-N 2.72Å; K107-Q109 VanDerWaalsContact C-N 3.32Å; K107-Q109 PolarHBondContact O-N 2.93Å; Q109-G113 CarbonylContact O-C 3.56Å; Q109-G113 WeakPolarHBondContact O-CA 3.31Å; Q109-G113 PolarHBondContact O-N 3.07Å; Q109-G113 VanDerWaalsContact O-O 3.05Å
110K92.4Very high89.7Confident168 Ų16873.6 Ų73.673%0.7342%0.421SS*.Hα-helixtrans-67.1-41.1174.1-71.1170-175171.90111.9E106 K107 I108E106-K110 WeakPolarHBondContact O-CG 3.29Å; E106-K110 PolarHBondContact O-N 3.24Å; K107-K110 WeakPolarHBondContact O-CB 3.29Å; K107-K110 PolarHBondContact O-N 3.45Å; K107-K110 VanDerWaalsContact O-N 3.16Å; I108-K110 VanDerWaalsContact C-N 3.29Å; I108-K110 PolarHBondContact O-N 3.07Å
111L92.2Very high89.5Confident76 Ų7675.7 Ų75.740%0.39844%0.438SS..Hα-helixtrans-72.7-34.3-178.4-70169.1000113.2K107 I108 Y149K107-L111 HydrophobicContact CG-CD1 3.93Å; K107-L111 HydrophobicContact CG-CG 4.49Å; K107-L111 VanDerWaalsContact O-CG 3.32Å; K107-L111 WeakPolarHBondContact O-CG 3.41Å; K107-L111 PolarHBondContact O-N 3.48Å; I108-L111 PolarHBondContact O-N 3.24Å; I108-L111 VanDerWaalsContact O-N 3.09Å; L111-Y149 HydrophobicContact CB-CD2 3.81Å; L111-Y149 HydrophobicContact CB-CE2 4.46Å; L111-Y149 HydrophobicContact CB-CG 3.93Å; L111-Y149 HydrophobicContact CD1-CD1 4.26Å; L111-Y149 HydrophobicContact CD1-CD2 3.93Å; L111-Y149 HydrophobicContact CD1-CE1 4.12Å; L111-Y149 HydrophobicContact CD1-CE2 3.78Å; L111-Y149 HydrophobicContact CD1-CG 4.17Å; L111-Y149 HydrophobicContact CD2-CD2 4.03Å; L111-Y149 HydrophobicContact CD2-CE2 3.98Å; L111-Y149 HydrophobicContact CG-CD2 4.14Å; L111-Y149 HydrophobicContact CG-CE2 4.3Å
112T89.9Confident89.7Confident18 Ų1874.4 Ų74.411%0.1142%0.421CS..Hα-helixtrans-91.1-12.4179.460.70000113.3I108 F151I108-T112 HydrophobicContact CG2-CG2 4.21Å; I108-T112 WeakPolarHBondContact O-CG2 3.17Å; I108-T112 PolarHBondContact O-N 3.04Å; I108-T112 PolarHBondContact O-OG1 3.16Å; T112-F151 HydrophobicContact CG2-CD2 4.5Å; T112-F151 HydrophobicContact CG2-CE1 4.21Å; T112-F151 HydrophobicContact CG2-CE2 3.72Å; T112-F151 HydrophobicContact CG2-CZ 3.55Å; T112-F151 WeakPolarHBondContact OG1-CZ 3.5Å
113G84.8Confident90Very high35 Ų3568.8 Ų68.836%0.36140%0.4SS..  trans91.6156.7-173.400000112.9Q109Q109-G113 CarbonylContact O-C 3.56Å; Q109-G113 WeakPolarHBondContact O-CA 3.31Å; Q109-G113 PolarHBondContact O-N 3.07Å; Q109-G113 VanDerWaalsContact O-O 3.05Å
114A74.8Confident90.3Very high81 Ų8168 Ų6867%0.66938%0.384SS*.  trans-61.6133-179.500000110.8H116A114-H116 PolarHBondContact O-N 2.84Å
115P77.3Confident90.4Very high58 Ų5866.1 Ų66.138%0.37738%0.375SS..  trans-64.5128.2179.127.5-33.5000109.8T117 V119P115-T117 VanDerWaalsContact C-N 3.26Å; P115-V119 HydrophobicContact CB-CG2 3.85Å; P115-V119 HydrophobicContact CG-CG2 4.09Å
116H76.3Confident90.6Very high155 Ų15565 Ų6572%0.71837%0.37SS*.SBendtrans-74.6-21.3177.7-67.8-61.8000112.7A114A114-H116 PolarHBondContact O-N 2.84Å
117T82.9Confident90.9Very high56 Ų5662.3 Ų62.334%0.34436%0.358SS..SBendtrans-123.2147-17948.20000108.7P115 V119 S188P115-T117 VanDerWaalsContact C-N 3.26Å; T117-V119 PolarHBondContact O-N 3.28Å; T117-S188 WeakPolarHBondContact OG1-CB 3.36Å; T117-S188 PolarHBondContact OG1-OG 3.01Å
118P87.6Confident91.1Very high136 Ų13658.3 Ų58.388%0.88334%0.34SS*.  trans-58.3125.7173.9-23.133.6000110.5
119V91.3Very high91.2Very high30 Ų3062.2 Ų62.218%0.18236%0.359CS..  trans-122.6142.1178.2-70.80000109.7P115 T117 L187 L191P115-V119 HydrophobicContact CB-CG2 3.85Å; P115-V119 HydrophobicContact CG-CG2 4.09Å; T117-V119 PolarHBondContact O-N 3.28Å; V119-L187 HydrophobicContact CB-CD2 4.21Å; V119-L187 HydrophobicContact CB-CG 4.45Å; V119-L187 HydrophobicContact CG1-CB 4.28Å; V119-L187 HydrophobicContact CG1-CG 4.37Å; V119-L187 HydrophobicContact CG2-CD2 4.03Å; V119-L191 HydrophobicContact CB-CD1 4.49Å; V119-L191 HydrophobicContact CG1-CD1 4.43Å
120P93Very high91.5Very high74 Ų7460.5 Ų60.548%0.48135%0.35SS..PPolyproline II helixtrans-64.5141174.528-33.9000110.3L191 Y271P120-L191 HydrophobicContact CG-CD1 3.94Å; P120-Y271 HydrophobicContact CB-CD1 4.47Å; P120-Y271 HydrophobicContact CB-CE1 4.14Å; P120-Y271 HydrophobicContact CG-CD1 4.32Å; P120-Y271 HydrophobicContact CG-CE1 3.88Å; P120-Y271 WeakPolarHBondContact O-CE1 3.47Å; P120-Y271 PolarHBondContact O-OH 2.82Å
121A94.3Very high91.7Very high68 Ų6856 Ų5656%0.56233%0.33SS*.PPolyproline II helixtrans-69.3141.3166.200000109.4F105F105-A121 HydrophobicContact CE1-CB 4.34Å
122P97.1Very high91.9Very high23 Ų2357.8 Ų57.815%0.14934%0.34CS..PPolyproline II helixtrans-64.8145175.129.5-35.8000110.7F105 F124 L269 Y271F105-P122 HydrophobicContact CD2-CG 3.86Å; F105-P122 VanDerWaalsContact CE2-CD 3.5Å; F105-P122 HydrophobicContact CE2-CG 3.88Å; F105-P122 HydrophobicContact CG-CG 4.29Å; F105-P122 VanDerWaalsContact CZ-CD 3.44Å; F105-P122 HydrophobicContact CZ-CG 4.31Å; P122-F124 VanDerWaalsContact C-N 3.32Å; P122-L269 HydrophobicContact CB-CB 4.13Å; P122-L269 HydrophobicContact CG-CD2 4.32Å; P122-Y271 HydrophobicContact CB-CE1 4.1Å
123D97.5Very high92.2Very high66 Ų6662.1 Ų62.135%0.35337%0.369SS..SBendtrans-72.6-33172.7-63.7-78.3000110.4V270 S272 K274D123-V270 PolarHBondContact N-O 2.95Å; D123-S272 PolarHBondContact OD2-N 3.31Å; D123-K274 IonicContact OD1-NZ 3.5Å; D123-K274 PolarHBondContact OD1-NZ 3.46Å
124F98.4Very high92.7Very high52 Ų5262.3 Ų62.323%0.22837%0.367CS..EExtended strand (participates in β ladder)trans-137143.6176.1-48.9-85.7000111.2L18 P122 F126 L205 V270L18-F124 HydrophobicContact CD1-CD1 4.32Å; L18-F124 HydrophobicContact CD1-CE1 4.46Å; P122-F124 VanDerWaalsContact C-N 3.32Å; F124-F126 HydrophobicContact CB-CD2 4.41Å; F124-F126 HydrophobicContact CB-CE2 3.53Å; F124-F126 HydrophobicContact CB-CZ 3.95Å; F124-L205 HydrophobicContact CD1-CD2 3.76Å; F124-L205 HydrophobicContact CD2-CB 4.3Å; F124-L205 HydrophobicContact CD2-CD2 3.81Å; F124-L205 HydrophobicContact CE1-CD2 3.75Å; F124-L205 HydrophobicContact CE2-CB 3.93Å; F124-L205 HydrophobicContact CE2-CD2 3.8Å; F124-L205 HydrophobicContact CE2-CG 4.47Å; F124-L205 HydrophobicContact CG-CD2 3.79Å; F124-L205 HydrophobicContact CZ-CB 4.39Å; F124-L205 HydrophobicContact CZ-CD2 3.77Å; F124-V270 HydrophobicContact CB-CB 4.23Å; F124-V270 HydrophobicContact CD2-CG1 4.43Å; F124-V270 PolarHBondContact N-O 2.98Å; F124-V270 PolarHBondContact O-N 2.96Å
125L98.6Very high93.7Very high11 Ų1160.7 Ų60.76%0.05835%0.347CS..EExtended strand (participates in β ladder)trans-123.7137.4175.9174.269.4000108.8A100 G101 E104 F105 I108 Y267 L269A100-L125 HydrophobicContact CB-CB 4.47Å; A100-L125 HydrophobicContact CB-CD2 3.8Å; A100-L125 HydrophobicContact CB-CG 3.83Å; A100-L125 PolarHBondContact N-O 3.47Å; G101-L125 WeakPolarHBondContact O-CD2 3.19Å; E104-L125 HydrophobicContact CB-CD2 3.64Å; F105-L125 HydrophobicContact CB-CD2 4.08Å; I108-L125 HydrophobicContact CD1-CD1 3.73Å; I108-L125 HydrophobicContact CD1-CD2 4.22Å; L125-Y267 HydrophobicContact CD1-CD1 4.49Å; L125-L269 HydrophobicContact CD1-CD2 3.37Å
126F98.8Very high94.7Very high1 Ų160.3 Ų60.30%0.00435%0.348CS..EExtended strand (participates in β ladder)trans-131.4145.2176.2-57.1-90.4000111.3L18 A19 L22 I97 H98 S99 F124 L205 Y267 L268 V270L18-F126 HydrophobicContact CB-CE1 4.01Å; L18-F126 HydrophobicContact CB-CZ 4.25Å; A19-F126 HydrophobicContact CB-CD1 4.19Å; A19-F126 HydrophobicContact CB-CE1 4.26Å; L22-F126 HydrophobicContact CB-CE1 4.34Å; L22-F126 HydrophobicContact CB-CE2 4.37Å; L22-F126 HydrophobicContact CB-CZ 4.09Å; L22-F126 HydrophobicContact CD1-CE2 4.23Å; L22-F126 HydrophobicContact CD2-CB 4.2Å; L22-F126 HydrophobicContact CD2-CD1 4.06Å; L22-F126 HydrophobicContact CD2-CD2 3.5Å; L22-F126 VanDerWaalsContact CD2-CD2 3.5Å; L22-F126 HydrophobicContact CD2-CE1 4.31Å; L22-F126 HydrophobicContact CD2-CE2 3.75Å; L22-F126 HydrophobicContact CD2-CG 3.64Å; L22-F126 HydrophobicContact CD2-CZ 4.15Å; L22-F126 HydrophobicContact CG-CE2 4.34Å; I97-F126 HydrophobicContact CG2-CB 3.66Å; I97-F126 HydrophobicContact CG2-CD1 4.03Å; I97-F126 HydrophobicContact CG2-CG 4.16Å; H98-F126 CarbonylContact O-C 3.56Å; H98-F126 WeakPolarHBondContact O-CA 3.44Å; S99-F126 WeakPolarHBondContact OG-CE1 3.26Å; F124-F126 HydrophobicContact CB-CD2 4.41Å; F124-F126 HydrophobicContact CB-CE2 3.53Å; F124-F126 HydrophobicContact CB-CZ 3.95Å; F126-L205 HydrophobicContact CZ-CD1 4.26Å; F126-L205 HydrophobicContact CZ-CD2 4.18Å; F126-Y267 CarbonylContact O-C 3.59Å; F126-Y267 WeakPolarHBondContact O-CA 3.5Å; F126-Y267 WeakPolarHBondContact O-CB 3.37Å; F126-L268 HydrophobicContact CB-CB 4.32Å; F126-L268 PolarHBondContact N-O 3.17Å; F126-L268 PolarHBondContact O-N 3.28Å; F126-V270 HydrophobicContact CD2-CG2 3.89Å; F126-V270 HydrophobicContact CE2-CB 4.28Å; F126-V270 HydrophobicContact CE2-CG2 3.86Å
127E98.7Very high95.7Very high51 Ų5158 Ų5824%0.23834%0.336CS..EExtended strand (participates in β ladder)trans-107.7139.4172.3-175.5175.5175.400110I97 H98 K266 Y267I97-E127 WeakPolarHBondContact CA-O 3.25Å; H98-E127 PolarHBondContact N-O 3.37Å; H98-E127 PolarHBondContact O-N 2.96Å; E127-K266 WeakPolarHBondContact OE1-CE 3.43Å; E127-K266 IonicContact OE1-NZ 3.92Å; E127-K266 PolarHBondContact OE1-NZ 3.32Å; E127-Y267 HydrophobicContact CB-CD1 3.74Å; E127-Y267 HydrophobicContact CB-CE1 3.75Å; E127-Y267 HydrophobicContact CG-CD1 3.91Å; E127-Y267 HydrophobicContact CG-CE1 3.62Å
128I98.6Very high96.4Very high0 Ų055.9 Ų55.90%032%0.323CS..EExtended strand (participates in β ladder)trans-96.6123.1171.3-53.7-174.3000108.6L95 I97 Y130 I163 V265 K266 L268L95-I128 HydrophobicContact CB-CG2 4.07Å; L95-I128 HydrophobicContact CD1-CG2 4.26Å; L95-I128 HydrophobicContact CD2-CG2 4.32Å; L95-I128 HydrophobicContact CG-CG2 4.44Å; I97-I128 HydrophobicContact CG1-CG1 4.43Å; I128-Y130 HydrophobicContact CB-CE2 4.16Å; I128-Y130 HydrophobicContact CG2-CD2 4.13Å; I128-Y130 HydrophobicContact CG2-CE1 4.26Å; I128-Y130 HydrophobicContact CG2-CE2 3.61Å; I128-I163 HydrophobicContact CD1-CG1 4.2Å; I128-V265 HydrophobicContact CD1-CB 4.13Å; I128-V265 HydrophobicContact CD1-CG1 3.75Å; I128-K266 PolarHBondContact N-O 3.14Å; I128-K266 PolarHBondContact O-NZ 3.36Å; I128-L268 HydrophobicContact CD1-CD1 4.39Å; I128-L268 HydrophobicContact CD1-CG 4.39Å
129E98.3Very high96.8Very high82 Ų8254.4 Ų54.438%0.38330%0.3SS..EExtended strand (participates in β ladder)trans-101.7124.9169.7-177.8-175-172.300108.5L95 T96 H98 F131L95-E129 CarbonylContact C-O 3.54Å; L95-E129 WeakPolarHBondContact CA-O 3.42Å; L95-E129 VanDerWaalsContact CB-O 3.25Å; L95-E129 WeakPolarHBondContact CB-O 3.11Å; T96-E129 HydrophobicContact CG2-CB 4.02Å; T96-E129 PolarHBondContact N-O 2.69Å; T96-E129 PolarHBondContact O-N 2.89Å; H98-E129 IonicContact CD2-OE2 3.31Å; H98-E129 IonicContact CE1-OE2 3.78Å; H98-E129 IonicContact NE2-OE2 3.24Å; H98-E129 PolarHBondContact NE2-OE2 3.3Å; E129-F131 HydrophobicContact CG-CE1 4.26Å
130Y98.1Very high97.1Very high29 Ų2960.5 Ų60.511%0.11433%0.327CS..EExtended strand (participates in β ladder)trans-96.5138.3174.6-65.5-91.7000109.2L95 I128 N135 R264 V265L95-Y130 HydrophobicContact CB-CD1 4.03Å; L95-Y130 HydrophobicContact CB-CE1 4.36Å; L95-Y130 HydrophobicContact CD2-CD1 4.28Å; L95-Y130 HydrophobicContact CD2-CE1 3.85Å; I128-Y130 HydrophobicContact CB-CE2 4.16Å; I128-Y130 HydrophobicContact CG2-CD2 4.13Å; I128-Y130 HydrophobicContact CG2-CE1 4.26Å; I128-Y130 HydrophobicContact CG2-CE2 3.61Å; Y130-N135 VanDerWaalsContact O-CB 3.31Å; Y130-N135 WeakPolarHBondContact O-CB 3.21Å; Y130-R264 HydrophobicContact CE2-CB 4.24Å; Y130-R264 HydrophobicContact CE2-CG 4.12Å; Y130-V265 WeakPolarHBondContact CE2-O 3.49Å; Y130-V265 PolarHBondContact OH-N 2.84Å; Y130-V265 PolarHBondContact OH-O 3.33Å
131F97.3Very high97.3Very high75 Ų7559.2 Ų59.233%0.32932%0.317SS..PPolyproline II helixtrans-91.7163.9174-54.5-43.3000111I94 T96 E129 A134 N135I94-F131 PolarHBondContact O-N 3.25Å; T96-F131 HydrophobicContact CG2-CE1 3.99Å; T96-F131 HydrophobicContact CG2-CE2 4.44Å; T96-F131 HydrophobicContact CG2-CZ 3.52Å; E129-F131 HydrophobicContact CG-CE1 4.26Å; F131-A134 WeakPolarHBondContact O-CB 3.36Å; F131-A134 PolarHBondContact O-N 3.4Å; F131-A134 VanDerWaalsContact O-N 3.1Å; F131-N135 PolarHBondContact O-N 3.47Å; F131-N135 VanDerWaalsContact O-N 3.11Å
132D96.1Very high97.4Very high113 Ų11358.1 Ų58.160%0.60430%0.3SS*.THydrogen-bonded Turntrans-70.6146.7173.4-72.3-31.1000111.5A136D132-A136 WeakPolarHBondContact OD1-CB 3.45Å; D132-A136 PolarHBondContact OD1-N 2.86Å
133P95.9Very high97.4Very high109 Ų10958.4 Ų58.471%0.70831%0.307SS*.THydrogen-bonded Turncis-86.4-3.38.334.9-36.8000114.7N135 K137P133-N135 VanDerWaalsContact C-N 3.34Å; P133-N135 PolarHBondContact O-N 3.27Å; P133-K137 VanDerWaalsContact O-CB 3.3Å; P133-K137 WeakPolarHBondContact O-CB 3.35Å; P133-K137 PolarHBondContact O-N 2.9Å
134A95Very high97.3Very high38 Ų3864.2 Ų64.231%0.31433%0.332SS..Hα-helixtrans-65-38.7-173.700000112.3I94 F131 F138I94-A134 HydrophobicContact CG2-CB 4.14Å; F131-A134 WeakPolarHBondContact O-CB 3.36Å; F131-A134 PolarHBondContact O-N 3.4Å; F131-A134 VanDerWaalsContact O-N 3.1Å; A134-F138 PolarHBondContact O-N 2.94Å
135N97.3Very high97.1Very high47 Ų4766.8 Ų66.825%0.25134%0.34SS..Hα-helixtrans-67.2-52.8177.6-170.753.7000112.2Y130 F131 P133 K137 F138 Y139 R264Y130-N135 VanDerWaalsContact O-CB 3.31Å; Y130-N135 WeakPolarHBondContact O-CB 3.21Å; F131-N135 PolarHBondContact O-N 3.47Å; F131-N135 VanDerWaalsContact O-N 3.11Å; P133-N135 VanDerWaalsContact C-N 3.34Å; P133-N135 PolarHBondContact O-N 3.27Å; N135-K137 VanDerWaalsContact C-N 3.31Å; N135-K137 PolarHBondContact O-N 3.24Å; N135-F138 PolarHBondContact O-N 3.11Å; N135-F138 VanDerWaalsContact O-N 3.14Å; N135-Y139 WeakPolarHBondContact O-CD2 3.44Å; N135-Y139 PolarHBondContact O-N 2.82Å; N135-Y139 WeakPolarHBondContact OD1-CE2 3.13Å; N135-R264 PolarHBondContact OD1-NH1 3.41Å
136A97.4Very high96.9Very high50 Ų5071.2 Ų71.241%0.41336%0.364SS..Hα-helixtrans-53.4-45.8174.400000112.6D132 F138 Y139 E140D132-A136 WeakPolarHBondContact OD1-CB 3.45Å; D132-A136 PolarHBondContact OD1-N 2.86Å; A136-F138 VanDerWaalsContact C-N 3.3Å; A136-F138 PolarHBondContact O-N 3.23Å; A136-Y139 PolarHBondContact O-N 3.35Å; A136-Y139 VanDerWaalsContact O-N 3.16Å; A136-E140 WeakPolarHBondContact O-CB 3.5Å; A136-E140 PolarHBondContact O-N 3.17Å
137K97.3Very high96.7Very high106 Ų10673.2 Ų73.246%0.46138%0.375SS..Hα-helixtrans-59.8-37.7178.9-172.3-175-177.8-160.40113P133 N135 T141P133-K137 VanDerWaalsContact O-CB 3.3Å; P133-K137 WeakPolarHBondContact O-CB 3.35Å; P133-K137 PolarHBondContact O-N 2.9Å; N135-K137 VanDerWaalsContact C-N 3.31Å; N135-K137 PolarHBondContact O-N 3.24Å; K137-T141 WeakPolarHBondContact O-CB 3.39Å; K137-T141 PolarHBondContact O-N 3.46Å; K137-T141 PolarHBondContact O-OG1 2.89Å
138F97.2Very high96.5Very high13 Ų1372.4 Ų72.46%0.05737%0.372CS..Hα-helixtrans-65-44.3176.8-178.5-99.4000111.4A134 N135 A136 T141 K142 L147 E216 I218 R264A134-F138 PolarHBondContact O-N 2.94Å; N135-F138 PolarHBondContact O-N 3.11Å; N135-F138 VanDerWaalsContact O-N 3.14Å; A136-F138 VanDerWaalsContact C-N 3.3Å; A136-F138 PolarHBondContact O-N 3.23Å; F138-T141 PolarHBondContact O-N 2.87Å; F138-K142 WeakPolarHBondContact O-CB 3.23Å; F138-K142 PolarHBondContact O-N 2.96Å; F138-L147 HydrophobicContact CE1-CD2 4.03Å; F138-L147 HydrophobicContact CZ-CD2 4.07Å; F138-E216 HydrophobicContact CE1-CB 4.43Å; F138-E216 HydrophobicContact CZ-CB 4.06Å; F138-I218 HydrophobicContact CD2-CD1 4.18Å; F138-I218 HydrophobicContact CE1-CG1 4.49Å; F138-I218 HydrophobicContact CE2-CD1 3.83Å; F138-I218 HydrophobicContact CE2-CG1 4Å; F138-I218 HydrophobicContact CZ-CD1 4.11Å; F138-I218 HydrophobicContact CZ-CG1 3.84Å; F138-R264 VanDerWaalsContact CD1-CZ 3.43Å; F138-R264 HydrophobicContact CD2-CG 4.18Å; F138-R264 HydrophobicContact CE1-CG 4.39Å; F138-R264 HydrophobicContact CE2-CB 4.34Å; F138-R264 HydrophobicContact CE2-CG 3.88Å; F138-R264 HydrophobicContact CZ-CG 3.99Å
139Y97.4Very high96.3Very high105 Ų10573.9 Ų73.941%0.41238%0.377SS..Hα-helixtrans-70.1-33.5177-74.3-71.1000113.2N135 A136 K142 G143 R264N135-Y139 WeakPolarHBondContact O-CD2 3.44Å; N135-Y139 PolarHBondContact O-N 2.82Å; N135-Y139 WeakPolarHBondContact OD1-CE2 3.13Å; A136-Y139 PolarHBondContact O-N 3.35Å; A136-Y139 VanDerWaalsContact O-N 3.16Å; Y139-K142 HydrophobicContact CD1-CD 4.04Å; Y139-K142 HydrophobicContact CE1-CD 4.44Å; Y139-K142 WeakPolarHBondContact O-CB 3.38Å; Y139-K142 PolarHBondContact O-N 3.39Å; Y139-G143 PolarHBondContact O-N 2.92Å; Y139-R264 PolarHBondContact OH-NH2 2.98Å
140E97.5Very high96.2Very high158 Ų15870 Ų7074%0.73836%0.359SS*.Hα-helixtrans-60.7-46.8169.9-178.3-177.6-151.200110.9A136 K142 G143A136-E140 WeakPolarHBondContact O-CB 3.5Å; A136-E140 PolarHBondContact O-N 3.17Å; E140-K142 VanDerWaalsContact C-N 3.31Å; E140-K142 PolarHBondContact O-N 3.4Å; E140-G143 PolarHBondContact O-N 3.31Å
141T96.5Very high96.2Very high47 Ų4768.9 Ų68.929%0.28836%0.355SS..Hα-helixtrans-63.6-38.1177-550000111.6K137 F138 I218 L262K137-T141 WeakPolarHBondContact O-CB 3.39Å; K137-T141 PolarHBondContact O-N 3.46Å; K137-T141 PolarHBondContact O-OG1 2.89Å; F138-T141 PolarHBondContact O-N 2.87Å; T141-I218 HydrophobicContact CG2-CD1 3.91Å; T141-L262 HydrophobicContact CG2-CD2 4.22Å
142K97.1Very high96.1Very high44 Ų4466.4 Ų66.419%0.19134%0.344CS..Hα-helixtrans-60.9-52.2175.7-178.8-164.6165.1-69.90110.7F138 Y139 E140 R145 L147 I218F138-K142 WeakPolarHBondContact O-CB 3.23Å; F138-K142 PolarHBondContact O-N 2.96Å; Y139-K142 HydrophobicContact CD1-CD 4.04Å; Y139-K142 HydrophobicContact CE1-CD 4.44Å; Y139-K142 WeakPolarHBondContact O-CB 3.38Å; Y139-K142 PolarHBondContact O-N 3.39Å; E140-K142 VanDerWaalsContact C-N 3.31Å; E140-K142 PolarHBondContact O-N 3.4Å; K142-R145 WeakPolarHBondContact CE-O 3.32Å; K142-R145 WeakPolarHBondContact CG-O 3.36Å; K142-R145 PolarHBondContact NZ-O 2.83Å; K142-R145 WeakPolarHBondContact O-CB 3.41Å; K142-R145 WeakPolarHBondContact O-CG 3.34Å; K142-R145 PolarHBondContact O-N 2.91Å; K142-R145 PolarHBondContact O-NH1 2.83Å; K142-L147 HydrophobicContact CD-CD1 4.3Å; K142-L147 HydrophobicContact CD-CD2 3.99Å; K142-L147 HydrophobicContact CD-CG 4Å; K142-L147 HydrophobicContact CG-CD2 4.21Å; K142-I218 HydrophobicContact CB-CD1 3.91Å; K142-I218 HydrophobicContact CB-CG1 4Å; K142-I218 HydrophobicContact CG-CG1 4.31Å
143G96.2Very high96.1Very high29 Ų2961.6 Ų61.630%0.29932%0.321SS..THydrogen-bonded Turntrans53.5-135.6-167.800000111.1Y139 E140 R145Y139-G143 PolarHBondContact O-N 2.92Å; E140-G143 PolarHBondContact O-N 3.31Å; G143-R145 PolarHBondContact O-N 3.38Å
144E95.3Very high96.1Very high188 Ų18857.2 Ų57.288%0.87929%0.294SS*.THydrogen-bonded Turntrans-78.64-179.4-58.1-51.7130.900114.8
145R94.7Very high96.2Very high106 Ų10660.8 Ų60.840%0.430%0.299SS..  trans-75.4154.1-178.3-61.6173.6-174.485.8-1.9111.8K142 G143 I218 D219K142-R145 WeakPolarHBondContact CE-O 3.32Å; K142-R145 WeakPolarHBondContact CG-O 3.36Å; K142-R145 PolarHBondContact NZ-O 2.83Å; K142-R145 WeakPolarHBondContact O-CB 3.41Å; K142-R145 WeakPolarHBondContact O-CG 3.34Å; K142-R145 PolarHBondContact O-N 2.91Å; K142-R145 PolarHBondContact O-NH1 2.83Å; G143-R145 PolarHBondContact O-N 3.38Å; R145-I218 HydrophobicContact CB-CG2 4.02Å; R145-D219 WeakPolarHBondContact CD-O 3.32Å
146D94.1Very high96.3Very high104 Ų10458.7 Ų58.756%0.55629%0.287SS*.  trans-73.9160174.5-71.2-33.4000111.9D219D146-D219 HydrophobicContact CB-CB 4.49Å; D146-D219 PolarHBondContact O-N 3Å
147L95.4Very high96.3Very high44 Ų4456.9 Ų56.923%0.2327%0.27CS..EExtended strand (participates in β ladder)trans-104.1135.4171-68.8177.4000110.4F138 K142 Y149 V217 I218F138-L147 HydrophobicContact CE1-CD2 4.03Å; F138-L147 HydrophobicContact CZ-CD2 4.07Å; K142-L147 HydrophobicContact CD-CD1 4.3Å; K142-L147 HydrophobicContact CD-CD2 3.99Å; K142-L147 HydrophobicContact CD-CG 4Å; K142-L147 HydrophobicContact CG-CD2 4.21Å; L147-Y149 HydrophobicContact CB-CE2 4.3Å; L147-V217 CarbonylContact C-O 3.55Å; L147-V217 WeakPolarHBondContact CA-O 3.2Å; L147-I218 HydrophobicContact CD2-CG1 3.99Å
148I93.9Very high96.4Very high34 Ų3453.6 Ų53.617%0.17426%0.258CS..EExtended strand (participates in β ladder)trans-108.6136.7172.7-59.3167.4000107.7V217 D219 F255I148-V217 HydrophobicContact CB-CB 4.38Å; I148-V217 PolarHBondContact N-O 2.6Å; I148-V217 WeakPolarHBondContact O-CB 3.08Å; I148-V217 PolarHBondContact O-N 2.84Å; I148-D219 HydrophobicContact CD1-CB 3.8Å; I148-D219 HydrophobicContact CG1-CB 4.2Å; I148-F255 HydrophobicContact CG2-CE1 4.24Å; I148-F255 HydrophobicContact CG2-CZ 4.4Å
149Y95.1Very high96.4Very high31 Ų3153 Ų5312%0.12226%0.255CS..EExtended strand (participates in β ladder)trans-103.9130.5173.5-70-100000109.8L111 L147 V214 C215 E216 Y267L111-Y149 HydrophobicContact CB-CD2 3.81Å; L111-Y149 HydrophobicContact CB-CE2 4.46Å; L111-Y149 HydrophobicContact CB-CG 3.93Å; L111-Y149 HydrophobicContact CD1-CD1 4.26Å; L111-Y149 HydrophobicContact CD1-CD2 3.93Å; L111-Y149 HydrophobicContact CD1-CE1 4.12Å; L111-Y149 HydrophobicContact CD1-CE2 3.78Å; L111-Y149 HydrophobicContact CD1-CG 4.17Å; L111-Y149 HydrophobicContact CD2-CD2 4.03Å; L111-Y149 HydrophobicContact CD2-CE2 3.98Å; L111-Y149 HydrophobicContact CG-CD2 4.14Å; L111-Y149 HydrophobicContact CG-CE2 4.3Å; L147-Y149 HydrophobicContact CB-CE2 4.3Å; Y149-V214 HydrophobicContact CD1-CG1 4.27Å; Y149-C215 WeakPolarHBondContact CA-O 3.33Å; Y149-E216 HydrophobicContact CD1-CG 4.01Å; Y149-E216 HydrophobicContact CE1-CG 3.27Å; Y149-E216 HydrophobicContact CE2-CG 4.47Å; Y149-E216 PolarHBondContact OH-OE1 2.99Å; Y149-Y267 HydrophobicContact CE1-CE2 4.3Å
150A95.7Very high96.5Very high0 Ų048.2 Ų48.20%024%0.237CC..EExtended strand (participates in β ladder)trans-146.1153.3179.400000111.7L183 C215 F255A150-L183 HydrophobicContact CB-CB 3.75Å; A150-L183 HydrophobicContact CB-CD1 4.17Å; A150-C215 PolarHBondContact N-O 2.91Å; A150-C215 VanDerWaalsContact N-O 3.15Å; A150-C215 PolarHBondContact O-N 3.43Å; A150-F255 HydrophobicContact CB-CD2 4.07Å; A150-F255 HydrophobicContact CB-CE2 4.31Å
151F97.1Very high96.4Very high5 Ų541.6 Ų41.62%0.02221%0.208CC..EExtended strand (participates in β ladder)trans-89.4145.4-179-56.2-73000112.1I108 T112 L183 T184 S185 L187 A190 V212 A213 V214 L269I108-F151 HydrophobicContact CG2-CE1 4Å; I108-F151 HydrophobicContact CG2-CZ 4.13Å; T112-F151 HydrophobicContact CG2-CD2 4.5Å; T112-F151 HydrophobicContact CG2-CE1 4.21Å; T112-F151 HydrophobicContact CG2-CE2 3.72Å; T112-F151 HydrophobicContact CG2-CZ 3.55Å; T112-F151 WeakPolarHBondContact OG1-CZ 3.5Å; F151-L183 CarbonylContact O-C 3.25Å; F151-L183 VanDerWaalsContact O-CA 3.24Å; F151-L183 WeakPolarHBondContact O-CA 3.47Å; F151-T184 HydrophobicContact CB-CG2 4.23Å; F151-T184 WeakPolarHBondContact CD2-O 3.42Å; F151-T184 PolarHBondContact N-O 2.96Å; F151-T184 PolarHBondContact O-N 2.88Å; F151-S185 WeakPolarHBondContact CE2-O 3.28Å; F151-L187 HydrophobicContact CD1-CD1 3.93Å; F151-L187 HydrophobicContact CD2-CB 3.99Å; F151-L187 HydrophobicContact CE1-CB 4.45Å; F151-L187 HydrophobicContact CE1-CD1 4.09Å; F151-L187 HydrophobicContact CE2-CB 3.75Å; F151-L187 HydrophobicContact CG-CB 4.44Å; F151-L187 HydrophobicContact CG-CD1 4.19Å; F151-L187 HydrophobicContact CZ-CB 3.99Å; F151-L187 HydrophobicContact CZ-CD1 4.47Å; F151-A190 HydrophobicContact CB-CB 3.55Å; F151-A190 HydrophobicContact CG-CB 4.49Å; F151-V212 HydrophobicContact CB-CG1 4.07Å; F151-V212 HydrophobicContact CD1-CG1 4.15Å; F151-A213 CarbonylContact C-O 3.55Å; F151-A213 VanDerWaalsContact CA-O 3.28Å; F151-A213 WeakPolarHBondContact CA-O 3.37Å; F151-V214 HydrophobicContact CD1-CG2 3.87Å; F151-V214 HydrophobicContact CE1-CG1 4.39Å; F151-V214 HydrophobicContact CE1-CG2 3.78Å; F151-L269 HydrophobicContact CD1-CD1 4.22Å; F151-L269 HydrophobicContact CE1-CD1 3.89Å
152H96.5Very high96.5Very high23 Ų2340 Ų4011%0.10620%0.197CC..EExtended strand (participates in β ladder)trans-127.4118.9168.4-177.372.5000109.4L167 Y182 L183 A213H152-L167 HydrophobicContact CB-CD1 4.13Å; H152-L167 WeakPolarHBondContact CD2-CD2 3.33Å; H152-Y182 PolarHBondContact ND1-O 2.97Å; H152-L183 HydrophobicContact CB-CD2 3.67Å; H152-A213 HydrophobicContact CB-CB 4.1Å; H152-A213 PolarHBondContact N-O 3.13Å; H152-A213 PolarHBondContact O-N 3.32Å
153G95.9Very high96.5Very high12 Ų1238.2 Ų38.212%0.12419%0.19CC..EExtended strand (participates in β ladder)trans-91139.3172.700000111.9A190 Y193 S194G153-A190 WeakPolarHBondContact CA-O 3.42Å; G153-Y193 CarbonylContact C-O 3.47Å; G153-S194 WeakPolarHBondContact CA-OG 3.12Å
154S96.1Very high96.4Very high18 Ų1839 Ų3913%0.12619%0.186CC..  trans-150.7163.5175.9-149.40000111.3N158 F159 Y193 S194S154-N158 PolarHBondContact OG-ND2 2.86Å; S154-F159 WeakPolarHBondContact O-CE2 3.26Å; S154-Y193 CarbonylContact C-O 3.5Å; S154-Y193 VanDerWaalsContact CA-O 3.31Å; S154-Y193 WeakPolarHBondContact CA-O 3.3Å; S154-Y193 PolarHBondContact N-O 2.87Å; S154-S194 PolarHBondContact N-OG 3.31Å; S154-S194 WeakPolarHBondContact O-CA 3.39Å
155R97.3Very high96.4Very high113 Ų11333.6 Ų33.643%0.42616%0.163SC..  trans-67.8144170.8-58.9-178.464.3169.82.2110E157 N158 P195R155-E157 VanDerWaalsContact CB-OE2 3.31Å; R155-E157 WeakPolarHBondContact CB-OE2 3.48Å; R155-E157 WeakPolarHBondContact CD-OE1 3.45Å; R155-E157 IonicContact CZ-OE1 3.67Å; R155-E157 VanDerWaalsContact CZ-OE1 3.28Å; R155-E157 IonicContact NE-OE1 2.72Å; R155-E157 PolarHBondContact NE-OE1 2.95Å; R155-E157 IonicContact NE-OE2 3.68Å; R155-E157 IonicContact NH1-OE1 2.8Å; R155-E157 IonicContact NH2-OE1 3.26Å; R155-E157 PolarHBondContact O-N 3.47Å; R155-E157 VanDerWaalsContact O-N 3.16Å; R155-N158 WeakPolarHBondContact O-CB 3.37Å; R155-N158 PolarHBondContact O-N 3.38Å; R155-P195 HydrophobicContact CG-CG 4.04Å
156L98.5Very high96.3Very high2 Ų229.8 Ų29.81%0.0116%0.156CC..G310 helixtrans-52.6-41.3-173.5-170.970.1000112.9L26 S29 N158 F159 G197 L209 C211L26-L156 HydrophobicContact CD2-CD1 3.59Å; L26-L156 HydrophobicContact CD2-CG 4.16Å; S29-L156 WeakPolarHBondContact OG-CD2 3.33Å; L156-N158 PolarHBondContact O-N 3.32Å; L156-F159 PolarHBondContact O-N 3.08Å; L156-F159 VanDerWaalsContact O-N 3.07Å; L156-G197 WeakPolarHBondContact CD2-O 3.43Å; L156-L209 HydrophobicContact CD1-CB 3.94Å; L156-L209 HydrophobicContact CD2-CB 3.83Å; L156-C211 HydrophobicContact CD1-CB 3.82Å
157E98.3Very high96Very high12 Ų1225.5 Ų25.56%0.05613%0.133CC..G310 helixtrans-64.1-15.2-176.768.4-91.5-161.300114.3S29 A30 K35 V39 R155S29-E157 WeakPolarHBondContact OG-CA 3.36Å; S29-E157 PolarHBondContact OG-N 3.02Å; A30-E157 WeakPolarHBondContact CB-O 3.15Å; K35-E157 WeakPolarHBondContact CE-OE1 3.19Å; K35-E157 IonicContact NZ-OE1 2.74Å; K35-E157 PolarHBondContact NZ-OE1 3.22Å; V39-E157 HydrophobicContact CG2-CB 4.43Å; V39-E157 HydrophobicContact CG2-CG 4.47Å; R155-E157 VanDerWaalsContact CB-OE2 3.31Å; R155-E157 WeakPolarHBondContact CB-OE2 3.48Å; R155-E157 WeakPolarHBondContact CD-OE1 3.45Å; R155-E157 IonicContact CZ-OE1 3.67Å; R155-E157 VanDerWaalsContact CZ-OE1 3.28Å; R155-E157 IonicContact NE-OE1 2.72Å; R155-E157 PolarHBondContact NE-OE1 2.95Å; R155-E157 IonicContact NE-OE2 3.68Å; R155-E157 IonicContact NH1-OE1 2.8Å; R155-E157 IonicContact NH2-OE1 3.26Å; R155-E157 PolarHBondContact O-N 3.47Å; R155-E157 VanDerWaalsContact O-N 3.16Å
158N97.8Very high95Very high37 Ų3726.8 Ų26.820%0.19814%0.138CC..G310 helixtrans-83.3-21.7178.5-60.5-25.5000112.2K35 S154 R155 L156 H160 S161 I162K35-N158 PolarHBondContact NZ-OD1 3.07Å; S154-N158 PolarHBondContact OG-ND2 2.86Å; R155-N158 WeakPolarHBondContact O-CB 3.37Å; R155-N158 PolarHBondContact O-N 3.38Å; L156-N158 PolarHBondContact O-N 3.32Å; N158-H160 VanDerWaalsContact C-N 3.34Å; N158-H160 PolarHBondContact O-N 3.07Å; N158-S161 PolarHBondContact O-N 3.28Å; N158-S161 VanDerWaalsContact O-N 3.11Å; N158-I162 HydrophobicContact CB-CD1 3.89Å; N158-I162 HydrophobicContact CB-CG1 4.45Å; N158-I162 WeakPolarHBondContact O-CG1 3.36Å; N158-I162 PolarHBondContact O-N 3.38Å
159F98.4Very high93.8Very high0 Ų025.3 Ų25.30%013%0.131CC..Hα-helixtrans-69.8-26.2-167.1-85.5-87.2000114.4L26 S154 L156 S161 I162 I163 C211 A213 L268L26-F159 HydrophobicContact CD1-CB 3.94Å; L26-F159 HydrophobicContact CD2-CB 3.77Å; L26-F159 HydrophobicContact CG-CB 4.36Å; S154-F159 WeakPolarHBondContact O-CE2 3.26Å; L156-F159 PolarHBondContact O-N 3.08Å; L156-F159 VanDerWaalsContact O-N 3.07Å; F159-S161 PolarHBondContact O-N 3.34Å; F159-I162 HydrophobicContact CD1-CD1 4.35Å; F159-I162 HydrophobicContact CG-CD1 4.4Å; F159-I162 PolarHBondContact O-N 3.23Å; F159-I163 WeakPolarHBondContact O-CB 3.42Å; F159-I163 WeakPolarHBondContact O-CD1 3.32Å; F159-I163 WeakPolarHBondContact O-CG1 3.47Å; F159-I163 PolarHBondContact O-N 3.09Å; F159-C211 HydrophobicContact CD1-CB 4.47Å; F159-C211 HydrophobicContact CD2-CB 3.81Å; F159-C211 HydrophobicContact CE1-CB 4.33Å; F159-C211 VanDerWaalsContact CE1-SG 3.5Å; F159-C211 HydrophobicContact CE2-CB 3.63Å; F159-C211 WeakPolarHBondContact CE2-O 3.31Å; F159-C211 HydrophobicContact CG-CB 4.22Å; F159-C211 HydrophobicContact CZ-CB 3.92Å; F159-C211 WeakPolarHBondContact CZ-O 3.46Å; F159-A213 HydrophobicContact CE1-CB 3.83Å; F159-A213 HydrophobicContact CZ-CB 4.42Å; F159-L268 HydrophobicContact CD1-CD2 3.84Å; F159-L268 HydrophobicContact CE1-CD2 3.87Å
160H98.4Very high92.1Very high6 Ų629.1 Ų29.13%0.02815%0.15CC..Hα-helixtrans-56-51168.7176.678.1000110.9A30 P42 N158 H164A30-H160 HydrophobicContact CB-CB 3.83Å; P42-H160 PolarHBondContact O-NE2 3.03Å; N158-H160 VanDerWaalsContact C-N 3.34Å; N158-H160 PolarHBondContact O-N 3.07Å; H160-H164 AromaticContact CE1-CD2 3.76Å; H160-H164 AromaticContact ND1-CD2 3.91Å; H160-H164 PolarHBondContact O-CD2 2.94Å; H160-H164 PolarHBondContact O-N 2.52Å
161S96.9Very high90.4Very high18 Ų1835.6 Ų35.613%0.12618%0.183CC..Hα-helixtrans-69.2-39.1177.2179.30000113V39 R41 N158 F159 I163 H164 N165V39-S161 WeakPolarHBondContact O-CB 3.45Å; R41-S161 WeakPolarHBondContact O-CA 3.37Å; R41-S161 WeakPolarHBondContact O-CB 3.43Å; N158-S161 PolarHBondContact O-N 3.28Å; N158-S161 VanDerWaalsContact O-N 3.11Å; F159-S161 PolarHBondContact O-N 3.34Å; S161-I163 VanDerWaalsContact C-N 3.29Å; S161-I163 PolarHBondContact O-N 3.16Å; S161-H164 PolarHBondContact O-N 3.09Å; S161-N165 WeakPolarHBondContact O-CA 3.26Å; S161-N165 WeakPolarHBondContact O-CB 3.46Å; S161-N165 PolarHBondContact O-N 2.91Å; S161-N165 PolarHBondContact OG-ND2 3.03Å
162I97Very high88.5Confident13 Ų1338.1 Ų38.17%0.06720%0.197CC..Hα-helixtrans-60.5-41.3179.7-68.8168.9000111N158 F159 G166 L167 V265N158-I162 HydrophobicContact CB-CD1 3.89Å; N158-I162 HydrophobicContact CB-CG1 4.45Å; N158-I162 WeakPolarHBondContact O-CG1 3.36Å; N158-I162 PolarHBondContact O-N 3.38Å; F159-I162 HydrophobicContact CD1-CD1 4.35Å; F159-I162 HydrophobicContact CG-CD1 4.4Å; F159-I162 PolarHBondContact O-N 3.23Å; I162-G166 CarbonylContact O-C 3.51Å; I162-G166 WeakPolarHBondContact O-CA 3.49Å; I162-G166 PolarHBondContact O-N 3.16Å; I162-L167 HydrophobicContact CB-CD2 4.43Å; I162-L167 HydrophobicContact CD1-CD2 3.95Å; I162-L167 HydrophobicContact CG1-CD2 3.92Å; I162-L167 HydrophobicContact CG2-CD2 3.69Å; I162-L167 HydrophobicContact CG2-CG 4.06Å; I162-V265 HydrophobicContact CG2-CG2 3.75Å
163I96.8Very high86.4Confident8 Ų843.9 Ų43.94%0.04122%0.222CC..Hα-helixtrans-65-48179.3-70.9163.7000110.4L26 L95 I97 I128 F159 S161 L268L26-I163 HydrophobicContact CD1-CD1 3.3Å; L95-I163 HydrophobicContact CD1-CG2 3.7Å; L95-I163 HydrophobicContact CD2-CG2 4.12Å; L95-I163 WeakPolarHBondContact CD2-O 3.41Å; I97-I163 HydrophobicContact CD1-CD1 3.96Å; I97-I163 HydrophobicContact CD1-CG2 4.26Å; I128-I163 HydrophobicContact CD1-CG1 4.2Å; F159-I163 WeakPolarHBondContact O-CB 3.42Å; F159-I163 WeakPolarHBondContact O-CD1 3.32Å; F159-I163 WeakPolarHBondContact O-CG1 3.47Å; F159-I163 PolarHBondContact O-N 3.09Å; S161-I163 VanDerWaalsContact C-N 3.29Å; S161-I163 PolarHBondContact O-N 3.16Å; I163-L268 HydrophobicContact CD1-CD1 3.75Å; I163-L268 HydrophobicContact CG1-CD1 4.22Å
164H95.4Very high84.4Confident45 Ų4550.1 Ų50.121%0.20826%0.257CS..Hα-helixtrans-85-29.1-171.2-70.5-63.5000114.6P42 H160 S161P42-H164 HydrophobicContact CG-CB 3.99Å; H160-H164 AromaticContact CE1-CD2 3.76Å; H160-H164 AromaticContact ND1-CD2 3.91Å; H160-H164 PolarHBondContact O-CD2 2.94Å; H160-H164 PolarHBondContact O-N 2.52Å; S161-H164 PolarHBondContact O-N 3.09Å
165N94.2Very high82.8Confident74 Ų7451.6 Ų51.640%0.39627%0.268SS..Hα-helixtrans-115-6.5-175-50-43.6000113R41 S161 H168R41-N165 PolarHBondContact O-ND2 3.05Å; S161-N165 WeakPolarHBondContact O-CA 3.26Å; S161-N165 WeakPolarHBondContact O-CB 3.46Å; S161-N165 PolarHBondContact O-N 2.91Å; S161-N165 PolarHBondContact OG-ND2 3.03Å; N165-H168 WeakPolarHBondContact CB-NE2 3.26Å
166G93.1Very high81.4Confident26 Ų2651.2 Ų51.227%0.26827%0.274SS..  trans80.1-178.9-17400000113.5I162 H168I162-G166 CarbonylContact O-C 3.51Å; I162-G166 WeakPolarHBondContact O-CA 3.49Å; I162-G166 PolarHBondContact O-N 3.16Å; G166-H168 PolarHBondContact O-CD2 3.37Å; G166-H168 PolarHBondContact O-N 2.95Å
167L88.4Confident80.1Confident14 Ų1452.6 Ų52.67%0.07328%0.28CS..  trans-81.2113.5172.6-68.5168.2000108.8H152 I162 C169 T181 L183 C215 N260 L263 V265H152-L167 HydrophobicContact CB-CD1 4.13Å; H152-L167 WeakPolarHBondContact CD2-CD2 3.33Å; I162-L167 HydrophobicContact CB-CD2 4.43Å; I162-L167 HydrophobicContact CD1-CD2 3.95Å; I162-L167 HydrophobicContact CG1-CD2 3.92Å; I162-L167 HydrophobicContact CG2-CD2 3.69Å; I162-L167 HydrophobicContact CG2-CG 4.06Å; L167-C169 PolarHBondContact O-N 2.89Å; L167-T181 HydrophobicContact CB-CG2 3.85Å; L167-T181 HydrophobicContact CD1-CG2 3.81Å; L167-T181 HydrophobicContact CG-CG2 4.32Å; L167-L183 HydrophobicContact CD1-CD2 4.31Å; L167-C215 VanDerWaalsContact CD1-SG 3.51Å; L167-N260 PolarHBondContact O-OD1 2.89Å; L167-L263 HydrophobicContact CB-CD1 4.33Å; L167-L263 HydrophobicContact CD1-CD1 3.77Å; L167-V265 HydrophobicContact CD1-CG2 4.11Å; L167-V265 HydrophobicContact CG-CG2 4.19Å
168H74.8Confident78.9Confident72 Ų7252.9 Ų52.933%0.33329%0.286SS..  trans-83.2102.3-178.3-69.2-105.2000111.4N165 G166 H170 L171N165-H168 WeakPolarHBondContact CB-NE2 3.26Å; G166-H168 PolarHBondContact O-CD2 3.37Å; G166-H168 PolarHBondContact O-N 2.95Å; H168-H170 PolarHBondContact O-N 3.44Å; H168-H170 VanDerWaalsContact O-N 3.09Å; H168-L171 HydrophobicContact CB-CB 4.34Å; H168-L171 HydrophobicContact CB-CD1 3.71Å; H168-L171 HydrophobicContact CB-CG 3.82Å; H168-L171 PolarHBondContact O-N 3.35Å; H168-L171 VanDerWaalsContact O-N 3.16Å
169C68Low78Confident2 Ų255.9 Ų55.91%0.01430%0.298CS..G310 helixtrans-51.9-33.5178.1-73.50000114.2L167 T181 V257 N260L167-C169 PolarHBondContact O-N 2.89Å; C169-T181 WeakPolarHBondContact CA-OG1 3.3Å; C169-T181 PolarHBondContact SG-OG1 3.08Å; C169-V257 PolarHBondContact SG-O 2.93Å; C169-N260 WeakPolarHBondContact CB-OD1 3.36Å; C169-N260 PolarHBondContact N-OD1 3.06Å; C169-N260 PolarHBondContact SG-OD1 2.86Å
170H59.9Low77.4Confident112 Ų11255.9 Ų55.952%0.51930%0.299SS..G310 helixtrans-85.7-4-175.3-56.9-61.1000115.3H168 N172 K173H168-H170 PolarHBondContact O-N 3.44Å; H168-H170 VanDerWaalsContact O-N 3.09Å; H170-N172 VanDerWaalsContact C-N 3.31Å; H170-K173 WeakPolarHBondContact O-CE 3.25Å; H170-K173 WeakPolarHBondContact O-CG 3.31Å
171L58.9Low76.9Confident135 Ų13555.7 Ų55.771%0.70730%0.298SS*.G310 helixtrans-85.2-9.5174.3-65.8179.3000112.1H168 K173H168-L171 HydrophobicContact CB-CB 4.34Å; H168-L171 HydrophobicContact CB-CD1 3.71Å; H168-L171 HydrophobicContact CB-CG 3.82Å; H168-L171 PolarHBondContact O-N 3.35Å; H168-L171 VanDerWaalsContact O-N 3.16Å; L171-K173 PolarHBondContact O-N 2.83Å
172N58.5Low76.6Confident58 Ų5856.7 Ų56.731%0.3130%0.299SS..  trans-99.252.2178.8-58.9-26.2000111.4H170 T174 G180H170-N172 VanDerWaalsContact C-N 3.31Å; N172-T174 VanDerWaalsContact C-N 3.28Å; N172-T174 PolarHBondContact O-N 3.46Å; N172-G180 VanDerWaalsContact CB-O 3.3Å; N172-G180 WeakPolarHBondContact CB-O 3.49Å; N172-G180 PolarHBondContact ND2-O 3.01Å
173K52.5Low76.4Confident145 Ų14556.1 Ų56.163%0.6330%0.296SS*.  trans-70.6-20.4-171.7-59.8-172.5179-178.30114.5H170 L171H170-K173 WeakPolarHBondContact O-CE 3.25Å; H170-K173 WeakPolarHBondContact O-CG 3.31Å; L171-K173 PolarHBondContact O-N 2.83Å
174T52.8Low76.2Confident142 Ų14256 Ų5687%0.87130%0.296SS*.SBendtrans-11787.7-17954.20000109.5N172N172-T174 VanDerWaalsContact C-N 3.28Å; N172-T174 PolarHBondContact O-N 3.46Å
175S62.2Low76Confident49 Ų4955.8 Ų55.834%0.34330%0.299SS..  trans-141.2144172.9-169.60000111F177 G178 Y182S175-F177 PolarHBondContact O-N 3.04Å; S175-G178 PolarHBondContact O-N 2.79Å; S175-Y182 VanDerWaalsContact CB-CZ 3.48Å; S175-Y182 WeakPolarHBondContact CB-OH 3.38Å; S175-Y182 WeakPolarHBondContact OG-CE2 3.27Å; S175-Y182 PolarHBondContact OG-OH 3.49Å
176L68.3Low75.9Confident106 Ų10652.7 Ų52.756%0.55528%0.283SS*.THydrogen-bonded Turntrans-52-31.4-172.9-177.962.4000112.8G247L176-G247 VanDerWaalsContact O-CA 3.31Å; L176-G247 WeakPolarHBondContact O-CA 3.3Å; L176-G247 PolarHBondContact O-N 3.37Å
177F70.8Confident76Confident31 Ų3151.9 Ų51.914%0.13627%0.273CS..THydrogen-bonded Turntrans-103.86.7-176.4-52.5-76.3000114.4S175 Y182 I242 S245 G247 I250 P251S175-F177 PolarHBondContact O-N 3.04Å; F177-Y182 HydrophobicContact CB-CE1 4.13Å; F177-Y182 HydrophobicContact CD2-CE1 4.03Å; F177-Y182 PolarHBondContact N-OH 3.09Å; F177-I242 WeakPolarHBondContact O-CB 3.35Å; F177-I242 WeakPolarHBondContact O-CD1 3.37Å; F177-S245 WeakPolarHBondContact CA-OG 3.44Å; F177-G247 WeakPolarHBondContact CE1-O 3.43Å; F177-I250 HydrophobicContact CB-CG1 4.17Å; F177-I250 HydrophobicContact CG-CG1 4.48Å; F177-P251 HydrophobicContact CE1-CG 4.45Å; F177-P251 HydrophobicContact CE2-CG 4.29Å; F177-P251 HydrophobicContact CZ-CG 3.84Å
178G73.8Confident76.3Confident17 Ų1752.8 Ų52.818%0.17528%0.28CS..  trans106.4-173.1-179.800000114.7S175 Y182S175-G178 PolarHBondContact O-N 2.79Å; G178-Y182 PolarHBondContact N-OH 3.46Å; G178-Y182 PolarHBondContact O-OH 2.9Å
179E79.3Confident77.1Confident100 Ų10050.9 Ų50.947%0.46727%0.272SS..SBendtrans-78.1140-178.4-61.6-166.6155.500112.2
180G84.6Confident78.3Confident1 Ų150.8 Ų50.81%0.0127%0.272CS..SBendtrans152178.4172.300000114.1N172 Y182 V257N172-G180 VanDerWaalsContact CB-O 3.3Å; N172-G180 WeakPolarHBondContact CB-O 3.49Å; N172-G180 PolarHBondContact ND2-O 3.01Å; G180-Y182 WeakPolarHBondContact O-CD2 3.19Å; G180-V257 CarbonylContact C-O 3.47Å; G180-V257 WeakPolarHBondContact CA-O 3.44Å
181T89.1Confident80.1Confident1 Ų147.2 Ų47.21%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-86.2118.3172.7-65.60000109.4L167 C169 L183 V256 V257 L263L167-T181 HydrophobicContact CB-CG2 3.85Å; L167-T181 HydrophobicContact CD1-CG2 3.81Å; L167-T181 HydrophobicContact CG-CG2 4.32Å; C169-T181 WeakPolarHBondContact CA-OG1 3.3Å; C169-T181 PolarHBondContact SG-OG1 3.08Å; T181-L183 HydrophobicContact CG2-CD2 3.84Å; T181-L183 HydrophobicContact CG2-CG 4.32Å; T181-V256 WeakPolarHBondContact O-CA 3.35Å; T181-V257 PolarHBondContact N-O 2.78Å; T181-V257 PolarHBondContact O-N 3.03Å; T181-L263 HydrophobicContact CG2-CD1 3.93Å
182Y90.1Very high81.8Confident39 Ų3946.7 Ų46.715%0.15325%0.253CS..EExtended strand (participates in β ladder)trans-84.3123.3178.4-73.3-94.5000110.7H152 S175 F177 G178 G180 V256H152-Y182 PolarHBondContact ND1-O 2.97Å; S175-Y182 VanDerWaalsContact CB-CZ 3.48Å; S175-Y182 WeakPolarHBondContact CB-OH 3.38Å; S175-Y182 WeakPolarHBondContact OG-CE2 3.27Å; S175-Y182 PolarHBondContact OG-OH 3.49Å; F177-Y182 HydrophobicContact CB-CE1 4.13Å; F177-Y182 HydrophobicContact CD2-CE1 4.03Å; F177-Y182 PolarHBondContact N-OH 3.09Å; G178-Y182 PolarHBondContact N-OH 3.46Å; G178-Y182 PolarHBondContact O-OH 2.9Å; G180-Y182 WeakPolarHBondContact O-CD2 3.19Å; Y182-V256 HydrophobicContact CD1-CG2 3.72Å; Y182-V256 HydrophobicContact CE1-CG2 3.44Å; Y182-V256 VanDerWaalsContact CE1-CG2 3.44Å; Y182-V256 HydrophobicContact CG-CG2 4.44Å
183L93.2Very high83.5Confident2 Ų250 Ų501%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-124.7162.8175.3-47.9173.4000109.5A150 F151 H152 L167 T181 C215 V217 Y254 F255 V257 L263A150-L183 HydrophobicContact CB-CB 3.75Å; A150-L183 HydrophobicContact CB-CD1 4.17Å; F151-L183 CarbonylContact O-C 3.25Å; F151-L183 VanDerWaalsContact O-CA 3.24Å; F151-L183 WeakPolarHBondContact O-CA 3.47Å; H152-L183 HydrophobicContact CB-CD2 3.67Å; L167-L183 HydrophobicContact CD1-CD2 4.31Å; T181-L183 HydrophobicContact CG2-CD2 3.84Å; T181-L183 HydrophobicContact CG2-CG 4.32Å; L183-C215 HydrophobicContact CD1-CB 4.37Å; L183-C215 HydrophobicContact CD2-CB 4.35Å; L183-V217 HydrophobicContact CD1-CG2 3.44Å; L183-V217 VanDerWaalsContact CD1-CG2 3.44Å; L183-Y254 CarbonylContact O-C 3.21Å; L183-Y254 WeakPolarHBondContact O-CA 3.32Å; L183-F255 HydrophobicContact CB-CB 4.22Å; L183-F255 PolarHBondContact N-O 3.01Å; L183-F255 PolarHBondContact O-N 2.96Å; L183-V257 HydrophobicContact CD1-CG2 3.72Å; L183-V257 HydrophobicContact CG-CG2 4.49Å; L183-L263 HydrophobicContact CD1-CD1 4.13Å; L183-L263 HydrophobicContact CD2-CD1 4.33Å
184T92.8Very high85.6Confident6 Ų643.3 Ų43.34%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-140.9143.3176.51720000110.8F151 D186 L189 A190 K253F151-T184 HydrophobicContact CB-CG2 4.23Å; F151-T184 WeakPolarHBondContact CD2-O 3.42Å; F151-T184 PolarHBondContact N-O 2.96Å; F151-T184 PolarHBondContact O-N 2.88Å; T184-D186 VanDerWaalsContact CG2-O 3.28Å; T184-D186 WeakPolarHBondContact CG2-O 3.47Å; T184-D186 PolarHBondContact O-N 2.96Å; T184-D186 PolarHBondContact OG1-N 3.18Å; T184-D186 PolarHBondContact OG1-O 2.92Å; T184-L189 HydrophobicContact CG2-CB 4.19Å; T184-L189 HydrophobicContact CG2-CG 4.44Å; T184-A190 HydrophobicContact CG2-CB 3.8Å; T184-K253 CarbonylContact C-O 3.16Å; T184-K253 WeakPolarHBondContact CA-O 3.45Å; T184-K253 PolarHBondContact OG1-O 3.1Å
185S91.7Very high87.8Confident39 Ų3939.6 Ų39.627%0.27321%0.211SC..SBendtrans-75.8-12.8169.6490000112.7F151 K253F151-S185 WeakPolarHBondContact CE2-O 3.28Å; S185-K253 PolarHBondContact N-O 2.95Å; S185-K253 PolarHBondContact OG-O 3.5Å
186D92Very high89.5Confident10 Ų1041.9 Ų41.95%0.05322%0.216CC..  trans-101112.5-177.8-167.4-27.6000111.3T184 S188 L189 A190 K253T184-D186 VanDerWaalsContact CG2-O 3.28Å; T184-D186 WeakPolarHBondContact CG2-O 3.47Å; T184-D186 PolarHBondContact O-N 2.96Å; T184-D186 PolarHBondContact OG1-N 3.18Å; T184-D186 PolarHBondContact OG1-O 2.92Å; D186-S188 VanDerWaalsContact C-N 3.27Å; D186-S188 VanDerWaalsContact CG-OG 3.29Å; D186-S188 PolarHBondContact O-N 3.31Å; D186-S188 WeakPolarHBondContact OD1-CB 3.38Å; D186-S188 PolarHBondContact OD1-N 3.24Å; D186-S188 PolarHBondContact OD1-OG 3.16Å; D186-L189 HydrophobicContact CB-CB 4.31Å; D186-L189 WeakPolarHBondContact O-CB 3.4Å; D186-L189 PolarHBondContact O-N 2.96Å; D186-A190 PolarHBondContact O-N 3.11Å; D186-K253 HydrophobicContact CB-CD 3.99Å; D186-K253 IonicContact OD2-NZ 2.71Å; D186-K253 PolarHBondContact OD2-NZ 3.4Å
187L94.6Very high90.9Very high9 Ų937.5 Ų37.55%0.04720%0.196CC..Hα-helixtrans-60.6-35.4179.1178.357.2000112.4V119 F151 L189 A190 L191 V212 L269V119-L187 HydrophobicContact CB-CD2 4.21Å; V119-L187 HydrophobicContact CB-CG 4.45Å; V119-L187 HydrophobicContact CG1-CB 4.28Å; V119-L187 HydrophobicContact CG1-CG 4.37Å; V119-L187 HydrophobicContact CG2-CD2 4.03Å; F151-L187 HydrophobicContact CD1-CD1 3.93Å; F151-L187 HydrophobicContact CD2-CB 3.99Å; F151-L187 HydrophobicContact CE1-CB 4.45Å; F151-L187 HydrophobicContact CE1-CD1 4.09Å; F151-L187 HydrophobicContact CE2-CB 3.75Å; F151-L187 HydrophobicContact CG-CB 4.44Å; F151-L187 HydrophobicContact CG-CD1 4.19Å; F151-L187 HydrophobicContact CZ-CB 3.99Å; F151-L187 HydrophobicContact CZ-CD1 4.47Å; L187-L189 PolarHBondContact O-N 3.34Å; L187-A190 PolarHBondContact O-N 3.2Å; L187-A190 VanDerWaalsContact O-N 3.16Å; L187-L191 HydrophobicContact CD1-CD1 4.48Å; L187-L191 HydrophobicContact CD1-CG 4.21Å; L187-L191 HydrophobicContact CG-CD1 4.1Å; L187-L191 HydrophobicContact CG-CG 4.35Å; L187-L191 WeakPolarHBondContact O-CG 3.11Å; L187-L191 PolarHBondContact O-N 2.91Å; L187-V212 HydrophobicContact CD1-CB 4.44Å; L187-V212 HydrophobicContact CD1-CG1 3.97Å; L187-V212 HydrophobicContact CD1-CG2 4.32Å; L187-L269 HydrophobicContact CD1-CD1 3.64Å; L187-L269 HydrophobicContact CD2-CD1 4.03Å
188S93.6Very high92.2Very high33 Ų3341.6 Ų41.623%0.23122%0.216CC..Hα-helixtrans-60.3-32.6-179.768.90000112T117 D186T117-S188 WeakPolarHBondContact OG1-CB 3.36Å; T117-S188 PolarHBondContact OG1-OG 3.01Å; D186-S188 VanDerWaalsContact C-N 3.27Å; D186-S188 VanDerWaalsContact CG-OG 3.29Å; D186-S188 PolarHBondContact O-N 3.31Å; D186-S188 WeakPolarHBondContact OD1-CB 3.38Å; D186-S188 PolarHBondContact OD1-N 3.24Å; D186-S188 PolarHBondContact OD1-OG 3.16Å
189L91.9Very high93.3Very high32 Ų3240.8 Ų40.817%0.16821%0.208CC..Hα-helixtrans-77.1-40.4178.7-171.354.4000112T184 D186 L187 L191 I192 Y193 Y254T184-L189 HydrophobicContact CG2-CB 4.19Å; T184-L189 HydrophobicContact CG2-CG 4.44Å; D186-L189 HydrophobicContact CB-CB 4.31Å; D186-L189 WeakPolarHBondContact O-CB 3.4Å; D186-L189 PolarHBondContact O-N 2.96Å; L187-L189 PolarHBondContact O-N 3.34Å; L189-L191 VanDerWaalsContact C-N 3.28Å; L189-L191 PolarHBondContact O-N 2.98Å; L189-I192 HydrophobicContact CD1-CD1 4.13Å; L189-I192 WeakPolarHBondContact O-CB 3.31Å; L189-I192 PolarHBondContact O-N 3.43Å; L189-Y193 HydrophobicContact CD1-CE2 4.41Å; L189-Y193 VanDerWaalsContact O-CD2 3.27Å; L189-Y193 WeakPolarHBondContact O-CD2 3.4Å; L189-Y254 WeakPolarHBondContact CD1-OH 3.42Å; L189-Y254 HydrophobicContact CD2-CD1 4.42Å; L189-Y254 HydrophobicContact CD2-CD2 4.21Å; L189-Y254 HydrophobicContact CD2-CE1 3.66Å; L189-Y254 HydrophobicContact CD2-CE2 3.42Å; L189-Y254 VanDerWaalsContact CD2-CE2 3.42Å; L189-Y254 WeakPolarHBondContact CD2-OH 3.01Å; L189-Y254 HydrophobicContact CG-CE1 4.24Å; L189-Y254 WeakPolarHBondContact CG-OH 3.35Å
190A94.8Very high94.2Very high0 Ų036.6 Ų36.60%019%0.187CC..Hα-helixtrans-63.9-34.1174.700000112.3F151 G153 T184 D186 L187 I192 Y193 S194 V212F151-A190 HydrophobicContact CB-CB 3.55Å; F151-A190 HydrophobicContact CG-CB 4.49Å; G153-A190 WeakPolarHBondContact CA-O 3.42Å; T184-A190 HydrophobicContact CG2-CB 3.8Å; D186-A190 PolarHBondContact O-N 3.11Å; L187-A190 PolarHBondContact O-N 3.2Å; L187-A190 VanDerWaalsContact O-N 3.16Å; A190-I192 VanDerWaalsContact C-N 3.28Å; A190-I192 PolarHBondContact O-N 3.1Å; A190-Y193 PolarHBondContact O-N 2.99Å; A190-Y193 VanDerWaalsContact O-N 3.15Å; A190-S194 PolarHBondContact O-N 3.33Å; A190-S194 PolarHBondContact O-OG 3.02Å; A190-V212 HydrophobicContact CB-CG1 3.84Å
191L95.8Very high94.7Very high36 Ų3642 Ų4219%0.18821%0.212CC..Hα-helixtrans-62-33176.5-76.8167.3000112.9V119 P120 L187 L189 Y193 S194 V212 Y271V119-L191 HydrophobicContact CB-CD1 4.49Å; V119-L191 HydrophobicContact CG1-CD1 4.43Å; P120-L191 HydrophobicContact CG-CD1 3.94Å; L187-L191 HydrophobicContact CD1-CD1 4.48Å; L187-L191 HydrophobicContact CD1-CG 4.21Å; L187-L191 HydrophobicContact CG-CD1 4.1Å; L187-L191 HydrophobicContact CG-CG 4.35Å; L187-L191 WeakPolarHBondContact O-CG 3.11Å; L187-L191 PolarHBondContact O-N 2.91Å; L189-L191 VanDerWaalsContact C-N 3.28Å; L189-L191 PolarHBondContact O-N 2.98Å; L191-Y193 PolarHBondContact O-N 2.88Å; L191-S194 CarbonylContact O-C 3.59Å; L191-S194 PolarHBondContact O-N 3.11Å; L191-V212 HydrophobicContact CD2-CG2 3.84Å; L191-V212 HydrophobicContact CG-CG2 4.36Å; L191-Y271 HydrophobicContact CD2-CD2 4.07Å; L191-Y271 HydrophobicContact CD2-CE1 4.4Å; L191-Y271 HydrophobicContact CD2-CE2 3.6Å
192I94.6Very high95Very high125 Ų12546.2 Ų46.264%0.64123%0.232SC*.Hα-helixtrans-61.5-35.5176.3-63.1169.2000111.1L189 A190 S194L189-I192 HydrophobicContact CD1-CD1 4.13Å; L189-I192 WeakPolarHBondContact O-CB 3.31Å; L189-I192 PolarHBondContact O-N 3.43Å; A190-I192 VanDerWaalsContact C-N 3.28Å; A190-I192 PolarHBondContact O-N 3.1Å; I192-S194 VanDerWaalsContact C-N 3.27Å; I192-S194 PolarHBondContact O-N 2.71Å
193Y94.6Very high95.4Very high128 Ų12845 Ų4550%0.50223%0.229SC..THydrogen-bonded Turntrans-85.31.7177.2-62.7-79.5000113.5G153 S154 L189 A190 L191 P195G153-Y193 CarbonylContact C-O 3.47Å; S154-Y193 CarbonylContact C-O 3.5Å; S154-Y193 VanDerWaalsContact CA-O 3.31Å; S154-Y193 WeakPolarHBondContact CA-O 3.3Å; S154-Y193 PolarHBondContact N-O 2.87Å; L189-Y193 HydrophobicContact CD1-CE2 4.41Å; L189-Y193 VanDerWaalsContact O-CD2 3.27Å; L189-Y193 WeakPolarHBondContact O-CD2 3.4Å; A190-Y193 PolarHBondContact O-N 2.99Å; A190-Y193 VanDerWaalsContact O-N 3.15Å; L191-Y193 PolarHBondContact O-N 2.88Å; Y193-P195 WeakPolarHBondContact O-CD 3.12Å
194S97.6Very high95.5Very high4 Ų447.7 Ų47.73%0.02824%0.243CC..  trans-11963.9-176.6-49.10000110.9G153 S154 A190 L191 I192 S210 C211 V212G153-S194 WeakPolarHBondContact CA-OG 3.12Å; S154-S194 PolarHBondContact N-OG 3.31Å; S154-S194 WeakPolarHBondContact O-CA 3.39Å; A190-S194 PolarHBondContact O-N 3.33Å; A190-S194 PolarHBondContact O-OG 3.02Å; L191-S194 CarbonylContact O-C 3.59Å; L191-S194 PolarHBondContact O-N 3.11Å; I192-S194 VanDerWaalsContact C-N 3.27Å; I192-S194 PolarHBondContact O-N 2.71Å; S194-S210 WeakPolarHBondContact CB-OG 3.31Å; S194-S210 WeakPolarHBondContact O-CB 3.5Å; S194-S210 PolarHBondContact O-OG 2.73Å; S194-C211 WeakPolarHBondContact CB-O 3.45Å; S194-C211 PolarHBondContact OG-O 2.85Å; S194-V212 WeakPolarHBondContact OG-CG2 3.44Å
195P97.6Very high95.8Very high63 Ų6347.6 Ų47.641%0.40924%0.242SC..  trans-64.3154.6176.830.7-36000110.5R155 Y193 G197R155-P195 HydrophobicContact CG-CG 4.04Å; Y193-P195 WeakPolarHBondContact O-CD 3.12Å; P195-G197 PolarHBondContact O-N 2.95Å
196H98.1Very high96Very high98 Ų9846.4 Ų46.445%0.45424%0.237SC..  trans-61.6134.5171.2-69.891.4000110.5I208 L209H196-I208 HydrophobicContact CB-CG2 3.73Å; H196-L209 WeakPolarHBondContact CA-O 3.37Å
197G97.6Very high96.2Very high13 Ų1348.3 Ų48.313%0.13425%0.249CC..EExtended strand (participates in β ladder)trans-130.5162177.100000111.6L156 P195 G199 I208 L209L156-G197 WeakPolarHBondContact CD2-O 3.43Å; P195-G197 PolarHBondContact O-N 2.95Å; G197-G199 PolarHBondContact O-N 3.38Å; G197-I208 WeakPolarHBondContact O-CA 3.48Å; G197-L209 PolarHBondContact N-O 3.06Å; G197-L209 PolarHBondContact O-N 3.34Å
198H97.9Very high96.4Very high118 Ų11850 Ų5055%0.54626%0.258SS..EExtended strand (participates in β ladder)trans-72.7123.9174.3-65.6-69.2000110.1S29S29-H198 WeakPolarHBondContact CA-O 3.23Å; S29-H198 WeakPolarHBondContact CB-O 3.35Å; S29-H198 PolarHBondContact OG-O 3.14Å
199G97.2Very high96.6Very high0 Ų048.5 Ų48.50%025%0.247CC..  trans-97.3-125.3172.500000110.9Q32 G197 P207Q32-G199 PolarHBondContact NE2-O 2.6Å; Q32-G199 VanDerWaalsContact NE2-O 3.15Å; G197-G199 PolarHBondContact O-N 3.38Å; G199-P207 PolarHBondContact N-O 2.87Å
200W97.9Very high97Very high12 Ų1247.1 Ų47.15%0.04524%0.241CC..  trans-108.7131.4176.8178.144.7000111.3C24 A28 L65 P66 L68 H202 S203C24-W200 HydrophobicContact CB-CE3 4.02Å; C24-W200 HydrophobicContact CB-CZ3 4.16Å; A28-W200 HydrophobicContact CB-CB 3.78Å; A28-W200 HydrophobicContact CB-CG 4.36Å; L65-W200 HydrophobicContact CB-CZ2 3.96Å; P66-W200 WeakPolarHBondContact O-CH2 3.47Å; P66-W200 WeakPolarHBondContact O-CZ2 3.19Å; L68-W200 HydrophobicContact CD2-CH2 4.33Å; L68-W200 HydrophobicContact CG-CH2 4.15Å; L68-W200 HydrophobicContact CG-CZ3 4.08Å; W200-H202 HydrophobicContact CD2-CB 4.2Å; W200-H202 HydrophobicContact CH2-CB 4.27Å; W200-H202 HydrophobicContact CZ2-CB 3.76Å; W200-H202 AromaticContact NE1-CD2 3.94Å; W200-H202 PolarHBondContact O-N 3.5Å; W200-S203 WeakPolarHBondContact O-CB 3.18Å; W200-S203 PolarHBondContact O-N 2.65Å; W200-S203 VanDerWaalsContact O-N 3.09Å
201Q95.7Very high97.1Very high113 Ų11347.1 Ų47.153%0.52824%0.241SC..THydrogen-bonded Turntrans-62-29.2-174.9-67.4-60.5-30.800113.5
202H95.7Very high97.3Very high91 Ų9145.4 Ų45.442%0.42123%0.232SC..THydrogen-bonded Turntrans-10014.5-179.6-57.5-58.4000113.2L65 N67 W200L65-H202 PolarHBondContact O-CD2 2.92Å; L65-H202 VanDerWaalsContact O-CD2 3.28Å; N67-H202 HydrophobicContact CB-CB 4Å; N67-H202 WeakPolarHBondContact CB-O 2.97Å; W200-H202 HydrophobicContact CD2-CB 4.2Å; W200-H202 HydrophobicContact CH2-CB 4.27Å; W200-H202 HydrophobicContact CZ2-CB 3.76Å; W200-H202 AromaticContact NE1-CD2 3.94Å; W200-H202 PolarHBondContact O-N 3.5Å
203S97.8Very high97.5Very high14 Ų1439.5 Ų39.510%0.09820%0.201CC..  trans-66.2136.7178.9174.30000112.5D21 S25 W200 L205 G206D21-S203 WeakPolarHBondContact OD1-CA 3.27Å; D21-S203 VanDerWaalsContact OD1-CB 3.28Å; D21-S203 WeakPolarHBondContact OD1-CB 3.48Å; D21-S203 PolarHBondContact OD1-OG 3.02Å; D21-S203 WeakPolarHBondContact OD2-CA 3.36Å; S25-S203 WeakPolarHBondContact OG-CB 3.47Å; S25-S203 PolarHBondContact OG-OG 3.15Å; S25-S203 VanDerWaalsContact OG-OG 3.08Å; W200-S203 WeakPolarHBondContact O-CB 3.18Å; W200-S203 PolarHBondContact O-N 2.65Å; W200-S203 VanDerWaalsContact O-N 3.09Å; S203-L205 PolarHBondContact O-N 3.02Å; S203-L205 WeakPolarHBondContact OG-CB 3.17Å; S203-L205 PolarHBondContact OG-N 2.9Å; S203-G206 PolarHBondContact O-N 2.81Å
204L96.9Very high97.6Very high58 Ų5833.4 Ų33.430%0.30418%0.177SC..THydrogen-bonded Turntrans-65.7-22.2168.2-62.5174.3000112.8M17 L18 D21 K69 G206M17-L204 HydrophobicContact CG-CD1 3.66Å; M17-L204 HydrophobicContact SD-CD1 3.62Å; L18-L204 HydrophobicContact CD2-CB 4.2Å; L18-L204 HydrophobicContact CD2-CD1 4.47Å; D21-L204 VanDerWaalsContact CG-N 3.35Å; D21-L204 PolarHBondContact OD1-N 3.19Å; D21-L204 WeakPolarHBondContact OD2-CG 3.22Å; D21-L204 PolarHBondContact OD2-N 3.18Å; K69-L204 HydrophobicContact CD-CD2 4.17Å; K69-L204 HydrophobicContact CG-CD2 4.47Å; L204-G206 VanDerWaalsContact C-N 3.32Å
205L97.4Very high97.7Very high3 Ų333.2 Ų33.22%0.01618%0.176CC..THydrogen-bonded Turntrans-82.2-13.6177.5-48.3178.7000112.1L18 L22 F124 F126 S203 L209 S272L18-L205 HydrophobicContact CB-CD2 4.45Å; L18-L205 HydrophobicContact CD2-CD2 3.92Å; L22-L205 HydrophobicContact CB-CD1 3.83Å; L22-L205 HydrophobicContact CD1-CD1 3.76Å; L22-L205 HydrophobicContact CG-CD1 4.43Å; F124-L205 HydrophobicContact CD1-CD2 3.76Å; F124-L205 HydrophobicContact CD2-CB 4.3Å; F124-L205 HydrophobicContact CD2-CD2 3.81Å; F124-L205 HydrophobicContact CE1-CD2 3.75Å; F124-L205 HydrophobicContact CE2-CB 3.93Å; F124-L205 HydrophobicContact CE2-CD2 3.8Å; F124-L205 HydrophobicContact CE2-CG 4.47Å; F124-L205 HydrophobicContact CG-CD2 3.79Å; F124-L205 HydrophobicContact CZ-CB 4.39Å; F124-L205 HydrophobicContact CZ-CD2 3.77Å; F126-L205 HydrophobicContact CZ-CD1 4.26Å; F126-L205 HydrophobicContact CZ-CD2 4.18Å; S203-L205 PolarHBondContact O-N 3.02Å; S203-L205 WeakPolarHBondContact OG-CB 3.17Å; S203-L205 PolarHBondContact OG-N 2.9Å; L205-L209 HydrophobicContact CB-CD1 4.26Å; L205-L209 HydrophobicContact CB-CD2 3.9Å; L205-L209 HydrophobicContact CD1-CD1 4.35Å; L205-L209 WeakPolarHBondContact O-CD2 3.49Å; L205-S272 VanDerWaalsContact O-CB 3.23Å; L205-S272 WeakPolarHBondContact O-CB 3.37Å; L205-S272 PolarHBondContact O-OG 3.49Å
206G96.9Very high97.6Very high15 Ų1530.5 Ų30.516%0.15516%0.158CC..  trans99.7157.8-173.500000113S203 L204 I208S203-G206 PolarHBondContact O-N 2.81Å; L204-G206 VanDerWaalsContact C-N 3.32Å; G206-I208 VanDerWaalsContact C-N 3.32Å; G206-I208 PolarHBondContact O-N 3.24Å
207P96.8Very high97.5Very high50 Ų5026 Ų2633%0.32514%0.137SC..SBendtrans-78.5-13.4-169.731.4-37.2000114.4G199G199-P207 PolarHBondContact N-O 2.87Å
208I98.1Very high97.5Very high45 Ų4525.3 Ų25.323%0.23113%0.131CC..EExtended strand (participates in β ladder)trans-129.2115.8-176.5-59.3169.2000108.8H196 G197 G206 Q273H196-I208 HydrophobicContact CB-CG2 3.73Å; G197-I208 WeakPolarHBondContact O-CA 3.48Å; G206-I208 VanDerWaalsContact C-N 3.32Å; G206-I208 PolarHBondContact O-N 3.24Å; I208-Q273 HydrophobicContact CB-CB 4.02Å; I208-Q273 HydrophobicContact CG2-CB 3.84Å; I208-Q273 VanDerWaalsContact CG2-OE1 3.23Å; I208-Q273 PolarHBondContact O-N 2.76Å
209L98.6Very high97.2Very high0 Ų022.2 Ų22.20%012%0.118CC..EExtended strand (participates in β ladder)trans-127.6146.1-171.9-54.4174.5000110.8L156 H196 G197 L205 V270 Y271L156-L209 HydrophobicContact CD1-CB 3.94Å; L156-L209 HydrophobicContact CD2-CB 3.83Å; H196-L209 WeakPolarHBondContact CA-O 3.37Å; G197-L209 PolarHBondContact N-O 3.06Å; G197-L209 PolarHBondContact O-N 3.34Å; L205-L209 HydrophobicContact CB-CD1 4.26Å; L205-L209 HydrophobicContact CB-CD2 3.9Å; L205-L209 HydrophobicContact CD1-CD1 4.35Å; L205-L209 WeakPolarHBondContact O-CD2 3.49Å; L209-V270 HydrophobicContact CB-CG1 4.4Å; L209-V270 HydrophobicContact CD1-CG1 4.43Å; L209-V270 HydrophobicContact CD2-CG1 4.12Å; L209-Y271 CarbonylContact C-O 3.53Å; L209-Y271 WeakPolarHBondContact CA-O 3.49Å
210S98.6Very high96.8Very high4 Ų424.2 Ų24.23%0.02813%0.127CC..EExtended strand (participates in β ladder)trans-112146.3158.9164.50000108.5S194 V270 Y271S194-S210 WeakPolarHBondContact CB-OG 3.31Å; S194-S210 WeakPolarHBondContact O-CB 3.5Å; S194-S210 PolarHBondContact O-OG 2.73Å; S210-V270 WeakPolarHBondContact O-CA 3.27Å; S210-Y271 PolarHBondContact N-O 3.29Å; S210-Y271 PolarHBondContact O-N 2.86Å
211C98.7Very high96.2Very high0 Ų027.4 Ų27.40%015%0.149CC..EExtended strand (participates in β ladder)trans-136.8133.6-176.9-174.50000110.5L156 F159 S194 L269L156-C211 HydrophobicContact CD1-CB 3.82Å; F159-C211 HydrophobicContact CD1-CB 4.47Å; F159-C211 HydrophobicContact CD2-CB 3.81Å; F159-C211 HydrophobicContact CE1-CB 4.33Å; F159-C211 VanDerWaalsContact CE1-SG 3.5Å; F159-C211 HydrophobicContact CE2-CB 3.63Å; F159-C211 WeakPolarHBondContact CE2-O 3.31Å; F159-C211 HydrophobicContact CG-CB 4.22Å; F159-C211 HydrophobicContact CZ-CB 3.92Å; F159-C211 WeakPolarHBondContact CZ-O 3.46Å; S194-C211 WeakPolarHBondContact CB-O 3.45Å; S194-C211 PolarHBondContact OG-O 2.85Å; C211-L269 CarbonylContact C-O 3.51Å; C211-L269 VanDerWaalsContact CA-O 3.31Å; C211-L269 WeakPolarHBondContact CA-O 3.46Å
212V98.6Very high95.6Very high0 Ų024.8 Ų24.80%014%0.139CC..EExtended strand (participates in β ladder)trans-120.7131.9173.81800000108.6F151 L187 A190 L191 S194 L269 Y271F151-V212 HydrophobicContact CB-CG1 4.07Å; F151-V212 HydrophobicContact CD1-CG1 4.15Å; L187-V212 HydrophobicContact CD1-CB 4.44Å; L187-V212 HydrophobicContact CD1-CG1 3.97Å; L187-V212 HydrophobicContact CD1-CG2 4.32Å; A190-V212 HydrophobicContact CB-CG1 3.84Å; L191-V212 HydrophobicContact CD2-CG2 3.84Å; L191-V212 HydrophobicContact CG-CG2 4.36Å; S194-V212 WeakPolarHBondContact OG-CG2 3.44Å; V212-L269 HydrophobicContact CB-CB 4.19Å; V212-L269 HydrophobicContact CB-CD1 4.38Å; V212-L269 HydrophobicContact CB-CG 4.49Å; V212-L269 HydrophobicContact CG1-CD1 4.48Å; V212-L269 PolarHBondContact N-O 2.62Å; V212-L269 PolarHBondContact O-N 3.42Å; V212-Y271 HydrophobicContact CG2-CE2 4.09Å
213A98.5Very high95Very high0 Ų020.4 Ų20.40%012%0.119CC..EExtended strand (participates in β ladder)trans-84.6138173.800000110.4F151 H152 F159 V265 L268F151-A213 CarbonylContact C-O 3.55Å; F151-A213 VanDerWaalsContact CA-O 3.28Å; F151-A213 WeakPolarHBondContact CA-O 3.37Å; H152-A213 HydrophobicContact CB-CB 4.1Å; H152-A213 PolarHBondContact N-O 3.13Å; H152-A213 PolarHBondContact O-N 3.32Å; F159-A213 HydrophobicContact CE1-CB 3.83Å; F159-A213 HydrophobicContact CZ-CB 4.42Å; A213-V265 HydrophobicContact CB-CG1 3.86Å; A213-V265 HydrophobicContact CB-CG2 4.19Å; A213-L268 HydrophobicContact CB-CD2 4.49Å
214V98.4Very high94.4Very high0 Ų022 Ų220%012%0.124CC..EExtended strand (participates in β ladder)trans-103.9121.1163.1-168.40000107.3I108 Y149 F151 K266 Y267 L269I108-V214 HydrophobicContact CD1-CG2 4.43Å; I108-V214 HydrophobicContact CG2-CG1 4.16Å; I108-V214 HydrophobicContact CG2-CG2 4.18Å; Y149-V214 HydrophobicContact CD1-CG1 4.27Å; F151-V214 HydrophobicContact CD1-CG2 3.87Å; F151-V214 HydrophobicContact CE1-CG1 4.39Å; F151-V214 HydrophobicContact CE1-CG2 3.78Å; V214-K266 PolarHBondContact O-N 3.15Å; V214-Y267 HydrophobicContact CB-CD2 4.18Å; V214-Y267 HydrophobicContact CG1-CD2 4.3Å; V214-Y267 PolarHBondContact N-O 2.77Å; V214-Y267 PolarHBondContact O-N 3.33Å; V214-Y267 VanDerWaalsContact O-N 3.1Å; V214-L269 HydrophobicContact CG2-CD1 4.25Å; V214-L269 HydrophobicContact CG2-CD2 4.07Å; V214-L269 HydrophobicContact CG2-CG 3.95Å
215C97.8Very high93.7Very high0 Ų019.2 Ų19.20%011%0.11CC..EExtended strand (participates in β ladder)trans-104.1136.3-175.7-56.10000110.8Y149 A150 L167 L183 V217 L263 R264Y149-C215 WeakPolarHBondContact CA-O 3.33Å; A150-C215 PolarHBondContact N-O 2.91Å; A150-C215 VanDerWaalsContact N-O 3.15Å; A150-C215 PolarHBondContact O-N 3.43Å; L167-C215 VanDerWaalsContact CD1-SG 3.51Å; L183-C215 HydrophobicContact CD1-CB 4.37Å; L183-C215 HydrophobicContact CD2-CB 4.35Å; C215-V217 HydrophobicContact CB-CG2 4.24Å; C215-L263 HydrophobicContact CB-CD1 4.45Å; C215-R264 CarbonylContact C-O 3.57Å; C215-R264 VanDerWaalsContact CA-O 3.26Å; C215-R264 WeakPolarHBondContact CA-O 3.44Å
216E96.9Very high92.8Very high6 Ų620.1 Ų20.13%0.02811%0.113CC..EExtended strand (participates in β ladder)trans-82.4125.2160.3-82177.3167.100108.3F138 Y149 L263 R264 K266F138-E216 HydrophobicContact CE1-CB 4.43Å; F138-E216 HydrophobicContact CZ-CB 4.06Å; Y149-E216 HydrophobicContact CD1-CG 4.01Å; Y149-E216 HydrophobicContact CE1-CG 3.27Å; Y149-E216 HydrophobicContact CE2-CG 4.47Å; Y149-E216 PolarHBondContact OH-OE1 2.99Å; E216-L263 CarbonylContact O-C 3.51Å; E216-L263 WeakPolarHBondContact O-CA 3.43Å; E216-R264 HydrophobicContact CB-CG 4.18Å; E216-R264 PolarHBondContact N-O 2.86Å; E216-R264 PolarHBondContact O-N 2.84Å; E216-R264 IonicContact OE2-CZ 2.97Å; E216-R264 VanDerWaalsContact OE2-CZ 3.26Å; E216-R264 IonicContact OE2-NE 3.66Å; E216-R264 PolarHBondContact OE2-NE 2.89Å; E216-R264 IonicContact OE2-NH2 3.28Å; E216-R264 PolarHBondContact OE2-NH2 3.01Å; E216-K266 HydrophobicContact CB-CB 4.42Å; E216-K266 HydrophobicContact CG-CB 3.77Å; E216-K266 HydrophobicContact CG-CG 3.98Å
217V96.1Very high91.4Very high3 Ų321.1 Ų21.12%0.01812%0.117CC..EExtended strand (participates in β ladder)trans-123.7127.7-178.7-172.10000109L147 I148 L183 C215 V223 V257 L262 L263L147-V217 CarbonylContact C-O 3.55Å; L147-V217 WeakPolarHBondContact CA-O 3.2Å; I148-V217 HydrophobicContact CB-CB 4.38Å; I148-V217 PolarHBondContact N-O 2.6Å; I148-V217 WeakPolarHBondContact O-CB 3.08Å; I148-V217 PolarHBondContact O-N 2.84Å; L183-V217 HydrophobicContact CD1-CG2 3.44Å; L183-V217 VanDerWaalsContact CD1-CG2 3.44Å; C215-V217 HydrophobicContact CB-CG2 4.24Å; V217-V223 HydrophobicContact CG1-CG1 4.17Å; V217-V223 HydrophobicContact CG1-CG2 3.7Å; V217-V257 HydrophobicContact CG1-CG2 3.91Å; V217-L262 CarbonylContact C-O 3.57Å; V217-L262 WeakPolarHBondContact CA-O 3.47Å; V217-L263 HydrophobicContact CG2-CB 4.08Å
218I96.1Very high89.7Confident0 Ų026.5 Ų26.50%014%0.135CC..EExtended strand (participates in β ladder)trans-73.3126.1174.4-62.2166.7000108.4F138 T141 K142 R145 L147 H220 V223 L262F138-I218 HydrophobicContact CD2-CD1 4.18Å; F138-I218 HydrophobicContact CE1-CG1 4.49Å; F138-I218 HydrophobicContact CE2-CD1 3.83Å; F138-I218 HydrophobicContact CE2-CG1 4Å; F138-I218 HydrophobicContact CZ-CD1 4.11Å; F138-I218 HydrophobicContact CZ-CG1 3.84Å; T141-I218 HydrophobicContact CG2-CD1 3.91Å; K142-I218 HydrophobicContact CB-CD1 3.91Å; K142-I218 HydrophobicContact CB-CG1 4Å; K142-I218 HydrophobicContact CG-CG1 4.31Å; R145-I218 HydrophobicContact CB-CG2 4.02Å; L147-I218 HydrophobicContact CD2-CG1 3.99Å; I218-H220 PolarHBondContact O-N 3Å; I218-V223 WeakPolarHBondContact O-CG2 3.49Å; I218-L262 HydrophobicContact CB-CD2 4.38Å; I218-L262 HydrophobicContact CD1-CD2 4.5Å; I218-L262 PolarHBondContact N-O 2.84Å
219D91.8Very high87.8Confident52 Ų5228.1 Ų28.128%0.27814%0.141SC..  trans-68.695.8177.5-167.24.6000110.6R145 D146 I148 R239R145-D219 WeakPolarHBondContact CD-O 3.32Å; D146-D219 HydrophobicContact CB-CB 4.49Å; D146-D219 PolarHBondContact O-N 3Å; I148-D219 HydrophobicContact CD1-CB 3.8Å; I148-D219 HydrophobicContact CG1-CB 4.2Å; D219-R239 IonicContact OD1-CZ 2.86Å; D219-R239 VanDerWaalsContact OD1-CZ 3.25Å; D219-R239 IonicContact OD1-NH1 3.66Å; D219-R239 PolarHBondContact OD1-NH1 3.48Å; D219-R239 IonicContact OD1-NH2 2.71Å; D219-R239 PolarHBondContact OD1-NH2 3.35Å; D219-R239 IonicContact OD2-NH2 3.25Å
220H89.9Confident85.5Confident42 Ų4236.7 Ų36.719%0.19418%0.178CC..  trans-132.2151.5-172.3-169.2-97.2000110.8I218 D222 V223 R239 L262I218-H220 PolarHBondContact O-N 3Å; H220-D222 IonicContact CE1-OD2 3.33Å; H220-D222 PolarHBondContact CE1-OD2 2.78Å; H220-D222 VanDerWaalsContact CE1-OD2 3.24Å; H220-D222 PolarHBondContact ND1-N 3.04Å; H220-D222 IonicContact ND1-OD2 2.88Å; H220-D222 PolarHBondContact ND1-OD2 3.01Å; H220-D222 PolarHBondContact O-N 3.33Å; H220-V223 HydrophobicContact CB-CG2 4.43Å; H220-V223 WeakPolarHBondContact O-CB 3.47Å; H220-V223 PolarHBondContact O-N 2.89Å; H220-R239 PolarHBondContact O-NH1 2.8Å; H220-L262 HydrophobicContact CB-CD1 3.85Å; H220-L262 HydrophobicContact CB-CD2 4.04Å
221P84.3Confident83.4Confident79 Ų7944.3 Ų44.351%0.51322%0.218SC..THydrogen-bonded Turntrans-55.2-22.5176.7-30.237.2000116V223 K224P221-V223 VanDerWaalsContact C-N 3.29Å; P221-K224 PolarHBondContact O-NZ 2.81Å
222D82.9Confident81.4Confident58 Ų5846.6 Ų46.631%0.3123%0.234SC..THydrogen-bonded Turntrans-81.2-8.2177.1-65.8-23.3000114H220 T258 L262H220-D222 IonicContact CE1-OD2 3.33Å; H220-D222 PolarHBondContact CE1-OD2 2.78Å; H220-D222 VanDerWaalsContact CE1-OD2 3.24Å; H220-D222 PolarHBondContact ND1-N 3.04Å; H220-D222 IonicContact ND1-OD2 2.88Å; H220-D222 PolarHBondContact ND1-OD2 3.01Å; H220-D222 PolarHBondContact O-N 3.33Å; D222-T258 PolarHBondContact O-OG1 2.83Å; D222-L262 HydrophobicContact CB-CD1 3.65Å
223V84.6Confident79.5Confident0 Ų056.5 Ų56.50%028%0.277CS..EExtended strand (participates in β ladder)trans-86.5114.5167-177.60000107.7V217 I218 H220 P221 R239 F255 V257 L262V217-V223 HydrophobicContact CG1-CG1 4.17Å; V217-V223 HydrophobicContact CG1-CG2 3.7Å; I218-V223 WeakPolarHBondContact O-CG2 3.49Å; H220-V223 HydrophobicContact CB-CG2 4.43Å; H220-V223 WeakPolarHBondContact O-CB 3.47Å; H220-V223 PolarHBondContact O-N 2.89Å; P221-V223 VanDerWaalsContact C-N 3.29Å; V223-R239 WeakPolarHBondContact O-CD 3.32Å; V223-F255 HydrophobicContact CG1-CB 4.42Å; V223-F255 HydrophobicContact CG1-CD1 4.4Å; V223-V257 HydrophobicContact CG1-CG2 4.25Å; V223-V257 HydrophobicContact CG2-CG1 4.31Å; V223-V257 HydrophobicContact CG2-CG2 4.29Å; V223-L262 HydrophobicContact CG2-CD1 4.44Å
224K85.4Confident77.7Confident47 Ų4762.1 Ų62.120%0.20430%0.304CS..EExtended strand (participates in β ladder)trans-95.6123.2-178.1-53.1-56.8-177.7-164.50109.8P221 R239 I242 I250 F255 V256P221-K224 PolarHBondContact O-NZ 2.81Å; K224-R239 CarbonylContact C-O 3.48Å; K224-R239 VanDerWaalsContact CA-O 3.24Å; K224-R239 WeakPolarHBondContact CA-O 3.43Å; K224-R239 WeakPolarHBondContact CB-O 3.17Å; K224-I242 HydrophobicContact CB-CD1 4.42Å; K224-I242 HydrophobicContact CB-CG1 4.06Å; K224-I242 HydrophobicContact CG-CD1 4.36Å; K224-I242 HydrophobicContact CG-CG1 3.68Å; K224-I250 HydrophobicContact CB-CD1 3.27Å; K224-I250 HydrophobicContact CG-CD1 4.45Å; K224-F255 CarbonylContact O-C 3.47Å; K224-F255 VanDerWaalsContact O-CA 3.31Å; K224-F255 WeakPolarHBondContact O-CA 3.36Å; K224-V256 HydrophobicContact CB-CB 4.41Å; K224-V256 PolarHBondContact N-O 2.79Å; K224-V256 PolarHBondContact O-N 2.84Å
225C81.8Confident76.2Confident0 Ų065.4 Ų65.40%032%0.32CS..EExtended strand (participates in β ladder)trans-163.8165.6-172.957.40000110.7R239 A240 F255C225-R239 PolarHBondContact N-O 2.8Å; C225-R239 CarbonylContact O-C 3.53Å; C225-R239 VanDerWaalsContact O-C 3.25Å; C225-A240 PolarHBondContact O-N 2.84Å; C225-F255 HydrophobicContact CB-CB 4.48Å; C225-F255 HydrophobicContact CB-CD1 3.31Å; C225-F255 HydrophobicContact CB-CE1 3.73Å; C225-F255 HydrophobicContact CB-CG 4.15Å
226Q78.3Confident74.7Confident21 Ų2167 Ų6710%0.09833%0.329CS..  trans-109.590.8167.5-61.7-172.120.800108.5I235 A240 I250Q226-I235 HydrophobicContact CB-CG2 3.76Å; Q226-I235 HydrophobicContact CG-CG2 4.47Å; Q226-A240 HydrophobicContact CG-CB 3.66Å; Q226-I250 WeakPolarHBondContact CG-O 3.27Å; Q226-I250 PolarHBondContact NE2-O 2.96Å
227T66.8Low73.6Confident37 Ų3773.3 Ų73.323%0.22735%0.353CS..EExtended strand (participates in β ladder)trans-85.7143.3177.142.60000110.5D236T227-D236 WeakPolarHBondContact O-CB 3.15Å; T227-D236 PolarHBondContact O-N 2.91Å
228K61.4Low72.6Confident163 Ų16383.5 Ų83.571%0.70939%0.391SS*.EExtended strand (participates in β ladder)trans-66.8134.4163.3-70-178179.6175.90108.2K230K228-K230 PolarHBondContact O-N 3.48Å
229K57.6Low71.8Confident79 Ų7985.4 Ų85.434%0.34340%0.398SS..PPolyproline II helixtrans-60.4137.4173-75.3-179.4-174.7167.60109.1D231 S232 E234 D236K229-D231 PolarHBondContact O-N 3.42Å; K229-S232 WeakPolarHBondContact CB-OG 3.26Å; K229-S232 PolarHBondContact O-N 2.95Å; K229-E234 HydrophobicContact CD-CB 4.48Å; K229-E234 PolarHBondContact N-O 3.32Å; K229-E234 IonicContact NZ-OE2 2.72Å; K229-E234 PolarHBondContact NZ-OE2 3.24Å; K229-D236 HydrophobicContact CG-CB 3.92Å
230K51.2Low71.1Confident179 Ų17983 Ų8378%0.77839%0.385SS*.THydrogen-bonded Turntrans-53123.6169-148.3168.9-177.8172.50106.8K228 S232K228-K230 PolarHBondContact O-N 3.48Å; K230-S232 PolarHBondContact O-N 3.35Å
231D55Low70.5Confident164 Ų16488.4 Ų88.488%0.87740%0.404SS*.THydrogen-bonded Turntrans72.316.9178.5-44.8-43.2000118.2K229K229-D231 PolarHBondContact O-N 3.42Å
232S56.3Low70.1Confident49 Ų4985.5 Ų85.534%0.34338%0.384SS..SBendtrans-143.8157.4167.679.50000113.6K229 K230 E234K229-S232 WeakPolarHBondContact CB-OG 3.26Å; K229-S232 PolarHBondContact O-N 2.95Å; K230-S232 PolarHBondContact O-N 3.35Å; S232-E234 PolarHBondContact O-N 2.84Å; S232-E234 WeakPolarHBondContact OG-CB 3.37Å; S232-E234 PolarHBondContact OG-N 3.16Å
233K59.1Low69.5Low207 Ų20791.7 Ų91.790%0.941%0.408SS*.SBendtrans-73.2-3.1171.1-69.2-174.2179.8178.30112.8
234E59.7Low68.7Low119 Ų119100.3 Ų100.356%0.55645%0.448SS*.  trans-79.6132.6-176.2-151.6-176-165.100110.8K229 S232K229-E234 HydrophobicContact CD-CB 4.48Å; K229-E234 PolarHBondContact N-O 3.32Å; K229-E234 IonicContact NZ-OE2 2.72Å; K229-E234 PolarHBondContact NZ-OE2 3.24Å; S232-E234 PolarHBondContact O-N 2.84Å; S232-E234 WeakPolarHBondContact OG-CB 3.37Å; S232-E234 PolarHBondContact OG-N 3.16Å
235I66.9Low68.2Low68 Ų6898.4 Ų98.435%0.34944%0.441SS..EExtended strand (participates in β ladder)trans-81123.4178-62174.5000108.1Q226 R237Q226-I235 HydrophobicContact CB-CG2 3.76Å; Q226-I235 HydrophobicContact CG-CG2 4.47Å; I235-R237 HydrophobicContact CG2-CG 4.15Å; I235-R237 PolarHBondContact O-N 3.32Å; I235-R237 VanDerWaalsContact O-N 3.17Å
236D67.1Low67.8Low34 Ų34107.3 Ų107.318%0.18248%0.482CS..EExtended strand (participates in β ladder)trans-73.1105.9169.4-171.21.4000109.6T227 K229 R238T227-D236 WeakPolarHBondContact O-CB 3.15Å; T227-D236 PolarHBondContact O-N 2.91Å; K229-D236 HydrophobicContact CG-CB 3.92Å; D236-R238 VanDerWaalsContact OD1-CB 3.22Å; D236-R238 WeakPolarHBondContact OD1-CB 3.28Å; D236-R238 WeakPolarHBondContact OD1-CD 3.39Å; D236-R238 WeakPolarHBondContact OD1-CG 3.42Å; D236-R238 PolarHBondContact OD1-N 3.14Å
237R73.7Confident67.5Low139 Ų139107.8 Ų107.853%0.52549%0.492SS..  trans-91.41.3179.3-58.1-177.776.6100.6-5.2113.3I235 R239 A240 D249I235-R237 HydrophobicContact CG2-CG 4.15Å; I235-R237 PolarHBondContact O-N 3.32Å; I235-R237 VanDerWaalsContact O-N 3.17Å; R237-R239 PolarHBondContact O-N 2.8Å; R237-R239 VanDerWaalsContact O-N 3.14Å; R237-A240 HydrophobicContact CB-CB 4.23Å; R237-A240 VanDerWaalsContact O-CB 3.26Å; R237-A240 WeakPolarHBondContact O-CB 3.24Å; R237-A240 PolarHBondContact O-N 2.67Å; R237-A240 VanDerWaalsContact O-N 3.08Å; R237-D249 IonicContact CZ-OD2 3.51Å; R237-D249 IonicContact NE-OD2 2.69Å; R237-D249 IonicContact NH2-OD2 2.65Å; R237-D249 PolarHBondContact NH2-OD2 3.47Å
238R75.1Confident68.2Low217 Ų217107.2 Ų107.282%0.81949%0.494SS*.THydrogen-bonded Turntrans-59.7-29-176.6-69.8171.5-179.3-170.31.1113D236D236-R238 VanDerWaalsContact OD1-CB 3.22Å; D236-R238 WeakPolarHBondContact OD1-CB 3.28Å; D236-R238 WeakPolarHBondContact OD1-CD 3.39Å; D236-R238 WeakPolarHBondContact OD1-CG 3.42Å; D236-R238 PolarHBondContact OD1-N 3.14Å
239R78.3Confident69.1Low39 Ų39102.1 Ų102.115%0.14747%0.474CS..THydrogen-bonded Turntrans-108.412.6179.1-59.8-170.6-65.6173.8-11.2113.7D219 H220 V223 K224 C225 R237 R241D219-R239 IonicContact OD1-CZ 2.86Å; D219-R239 VanDerWaalsContact OD1-CZ 3.25Å; D219-R239 IonicContact OD1-NH1 3.66Å; D219-R239 PolarHBondContact OD1-NH1 3.48Å; D219-R239 IonicContact OD1-NH2 2.71Å; D219-R239 PolarHBondContact OD1-NH2 3.35Å; D219-R239 IonicContact OD2-NH2 3.25Å; H220-R239 PolarHBondContact O-NH1 2.8Å; V223-R239 WeakPolarHBondContact O-CD 3.32Å; K224-R239 CarbonylContact C-O 3.48Å; K224-R239 VanDerWaalsContact CA-O 3.24Å; K224-R239 WeakPolarHBondContact CA-O 3.43Å; K224-R239 WeakPolarHBondContact CB-O 3.17Å; C225-R239 PolarHBondContact N-O 2.8Å; C225-R239 CarbonylContact O-C 3.53Å; C225-R239 VanDerWaalsContact O-C 3.25Å; R237-R239 PolarHBondContact O-N 2.8Å; R237-R239 VanDerWaalsContact O-N 3.14Å; R239-R241 VanDerWaalsContact C-N 3.3Å; R239-R241 PolarHBondContact O-N 2.72Å
240A78.8Confident70.2Confident1 Ų198.3 Ų98.31%0.00846%0.458CS..SBendtrans-72.5-20.5-172.100000114.1C225 Q226 R237 D249 I250C225-A240 PolarHBondContact O-N 2.84Å; Q226-A240 HydrophobicContact CG-CB 3.66Å; R237-A240 HydrophobicContact CB-CB 4.23Å; R237-A240 VanDerWaalsContact O-CB 3.26Å; R237-A240 WeakPolarHBondContact O-CB 3.24Å; R237-A240 PolarHBondContact O-N 2.67Å; R237-A240 VanDerWaalsContact O-N 3.08Å; A240-D249 HydrophobicContact CB-CB 4.19Å; A240-I250 WeakPolarHBondContact O-CG1 3.43Å; A240-I250 PolarHBondContact O-N 3.02Å
241R77.3Confident71.7Confident156 Ų15691.9 Ų91.959%0.58943%0.434SS*.  trans-123.5136.2-169.4-161.4172.5-178.4-161.11.4113R239R239-R241 VanDerWaalsContact C-N 3.3Å; R239-R241 PolarHBondContact O-N 2.72Å
242I75.6Confident72.8Confident18 Ų1887.7 Ų87.79%0.09242%0.416CS..  trans-90.6140.9168.5-68.3161.4000109F177 K224 H244 S245 I250 V256F177-I242 WeakPolarHBondContact O-CB 3.35Å; F177-I242 WeakPolarHBondContact O-CD1 3.37Å; K224-I242 HydrophobicContact CB-CD1 4.42Å; K224-I242 HydrophobicContact CB-CG1 4.06Å; K224-I242 HydrophobicContact CG-CD1 4.36Å; K224-I242 HydrophobicContact CG-CG1 3.68Å; I242-H244 PolarHBondContact O-N 2.8Å; I242-S245 WeakPolarHBondContact O-CB 3.04Å; I242-S245 PolarHBondContact O-N 2.81Å; I242-S245 VanDerWaalsContact O-N 3.13Å; I242-I250 HydrophobicContact CD1-CD1 3.94Å; I242-I250 HydrophobicContact CG1-CD1 4.17Å; I242-V256 HydrophobicContact CD1-CB 3.69Å; I242-V256 HydrophobicContact CD1-CG1 3.53Å; I242-V256 HydrophobicContact CD1-CG2 4Å
243K69.1Low74.1Confident188 Ų18888.8 Ų88.882%0.81742%0.415SS*.THydrogen-bonded Turntrans-59.4128.1173.4-68.8-176.6177.8-179.40108.5S245K243-S245 VanDerWaalsContact C-N 3.35Å
244H68.9Low75.4Confident182 Ų18281 Ų8184%0.84338%0.38SS*.THydrogen-bonded Turntrans69.319.7-176.5-43.9-74.2000116.1I242 E246I242-H244 PolarHBondContact O-N 2.8Å; H244-E246 PolarHBondContact O-N 3.24Å
245S74.4Confident76.7Confident7 Ų776.3 Ų76.35%0.04936%0.357CS..  trans-64.2121.2168.5173.60000111.3F177 I242 K243 G247 G248F177-S245 WeakPolarHBondContact CA-OG 3.44Å; I242-S245 WeakPolarHBondContact O-CB 3.04Å; I242-S245 PolarHBondContact O-N 2.81Å; I242-S245 VanDerWaalsContact O-N 3.13Å; K243-S245 VanDerWaalsContact C-N 3.35Å; S245-G247 PolarHBondContact OG-N 3.31Å; S245-G248 PolarHBondContact OG-N 3.29Å; S245-G248 PolarHBondContact OG-O 2.87Å
246E73.8Confident77.7Confident187 Ų18773 Ų7387%0.87434%0.341SS*.THydrogen-bonded Turntrans-73.8-32.3173-64-173.716600111.8H244 G248H244-E246 PolarHBondContact O-N 3.24Å; E246-G248 VanDerWaalsContact C-N 3.32Å; E246-G248 PolarHBondContact O-N 2.83Å
247G71.7Confident78.8Confident30 Ų3071.4 Ų71.431%0.30933%0.332SS..THydrogen-bonded Turntrans-832.6-177.700000116L176 F177 S245L176-G247 VanDerWaalsContact O-CA 3.31Å; L176-G247 WeakPolarHBondContact O-CA 3.3Å; L176-G247 PolarHBondContact O-N 3.37Å; F177-G247 WeakPolarHBondContact CE1-O 3.43Å; S245-G247 PolarHBondContact OG-N 3.31Å
248G81.2Confident79.4Confident25 Ų2567.1 Ų67.126%0.25832%0.321SS..  trans75.6-136.9-17700000113S245 E246S245-G248 PolarHBondContact OG-N 3.29Å; S245-G248 PolarHBondContact OG-O 2.87Å; E246-G248 VanDerWaalsContact C-N 3.32Å; E246-G248 PolarHBondContact O-N 2.83Å
249D81.1Confident80Confident56 Ų5659.7 Ų59.730%0.29930%0.298SS..SBendtrans-79.8140-176.2-69.4-11.4000111.7R237 A240R237-D249 IonicContact CZ-OD2 3.51Å; R237-D249 IonicContact NE-OD2 2.69Å; R237-D249 IonicContact NH2-OD2 2.65Å; R237-D249 PolarHBondContact NH2-OD2 3.47Å; A240-D249 HydrophobicContact CB-CB 4.19Å
250I80.2Confident80.5Confident0 Ų060.4 Ų60.40%031%0.305CS..PPolyproline II helixtrans-64.4131178.4-62.5160.9000109.2F177 K224 Q226 A240 I242 Y254 V256F177-I250 HydrophobicContact CB-CG1 4.17Å; F177-I250 HydrophobicContact CG-CG1 4.48Å; K224-I250 HydrophobicContact CB-CD1 3.27Å; K224-I250 HydrophobicContact CG-CD1 4.45Å; Q226-I250 WeakPolarHBondContact CG-O 3.27Å; Q226-I250 PolarHBondContact NE2-O 2.96Å; A240-I250 WeakPolarHBondContact O-CG1 3.43Å; A240-I250 PolarHBondContact O-N 3.02Å; I242-I250 HydrophobicContact CD1-CD1 3.94Å; I242-I250 HydrophobicContact CG1-CD1 4.17Å; I250-Y254 WeakPolarHBondContact CG2-O 3.49Å; I250-V256 HydrophobicContact CD1-CB 4.07Å; I250-V256 HydrophobicContact CD1-CG2 3.78Å; I250-V256 HydrophobicContact CG1-CG2 4.15Å; I250-V256 HydrophobicContact CG2-CG2 4.4Å
251P82.3Confident81.2Confident43 Ų4364.6 Ų64.628%0.27932%0.324SS..PPolyproline II helixtrans-63.6155.2-177.1-14.625.2000112.5F177 K253 Y254F177-P251 HydrophobicContact CE1-CG 4.45Å; F177-P251 HydrophobicContact CE2-CG 4.29Å; F177-P251 HydrophobicContact CZ-CG 3.84Å; P251-K253 PolarHBondContact O-N 2.78Å; P251-Y254 HydrophobicContact CB-CD2 3.86Å; P251-Y254 HydrophobicContact CB-CE2 4.37Å; P251-Y254 HydrophobicContact CG-CD2 3.86Å; P251-Y254 HydrophobicContact CG-CE2 4.2Å; P251-Y254 PolarHBondContact O-N 2.85Å
252P78.6Confident82Confident76 Ų7657.4 Ų57.449%0.49430%0.297SS..THydrogen-bonded Turntrans-57-25.9-168.4-2834.3000117.4
253K82.9Confident82.9Confident73 Ų7357.1 Ų57.132%0.31730%0.296SS..THydrogen-bonded Turntrans-89.2-9.2-178.5-67.3-179.6170.2-171.30113.4T184 S185 D186 P251T184-K253 CarbonylContact C-O 3.16Å; T184-K253 WeakPolarHBondContact CA-O 3.45Å; T184-K253 PolarHBondContact OG1-O 3.1Å; S185-K253 PolarHBondContact N-O 2.95Å; S185-K253 PolarHBondContact OG-O 3.5Å; D186-K253 HydrophobicContact CB-CD 3.99Å; D186-K253 IonicContact OD2-NZ 2.71Å; D186-K253 PolarHBondContact OD2-NZ 3.4Å; P251-K253 PolarHBondContact O-N 2.78Å
254Y86.1Confident84.3Confident44 Ų4449.1 Ų49.117%0.17326%0.261CS..EExtended strand (participates in β ladder)trans-101.8149-175.7-72.1-89.2000112.2L183 L189 I250 P251L183-Y254 CarbonylContact O-C 3.21Å; L183-Y254 WeakPolarHBondContact O-CA 3.32Å; L189-Y254 WeakPolarHBondContact CD1-OH 3.42Å; L189-Y254 HydrophobicContact CD2-CD1 4.42Å; L189-Y254 HydrophobicContact CD2-CD2 4.21Å; L189-Y254 HydrophobicContact CD2-CE1 3.66Å; L189-Y254 HydrophobicContact CD2-CE2 3.42Å; L189-Y254 VanDerWaalsContact CD2-CE2 3.42Å; L189-Y254 WeakPolarHBondContact CD2-OH 3.01Å; L189-Y254 HydrophobicContact CG-CE1 4.24Å; L189-Y254 WeakPolarHBondContact CG-OH 3.35Å; I250-Y254 WeakPolarHBondContact CG2-O 3.49Å; P251-Y254 HydrophobicContact CB-CD2 3.86Å; P251-Y254 HydrophobicContact CB-CE2 4.37Å; P251-Y254 HydrophobicContact CG-CD2 3.86Å; P251-Y254 HydrophobicContact CG-CE2 4.2Å; P251-Y254 PolarHBondContact O-N 2.85Å
255F87.2Confident85.7Confident19 Ų1940.6 Ų40.68%0.08322%0.221CC..EExtended strand (participates in β ladder)trans-124.5140.3168.9-49.3-101.8000108I148 A150 L183 V223 K224 C225I148-F255 HydrophobicContact CG2-CE1 4.24Å; I148-F255 HydrophobicContact CG2-CZ 4.4Å; A150-F255 HydrophobicContact CB-CD2 4.07Å; A150-F255 HydrophobicContact CB-CE2 4.31Å; L183-F255 HydrophobicContact CB-CB 4.22Å; L183-F255 PolarHBondContact N-O 3.01Å; L183-F255 PolarHBondContact O-N 2.96Å; V223-F255 HydrophobicContact CG1-CB 4.42Å; V223-F255 HydrophobicContact CG1-CD1 4.4Å; K224-F255 CarbonylContact O-C 3.47Å; K224-F255 VanDerWaalsContact O-CA 3.31Å; K224-F255 WeakPolarHBondContact O-CA 3.36Å; C225-F255 HydrophobicContact CB-CB 4.48Å; C225-F255 HydrophobicContact CB-CD1 3.31Å; C225-F255 HydrophobicContact CB-CE1 3.73Å; C225-F255 HydrophobicContact CB-CG 4.15Å
256V88.9Confident86.8Confident0 Ų041.3 Ų41.30%022%0.224CC..EExtended strand (participates in β ladder)trans-119.4115.4170.1-174.50000108.3T181 Y182 K224 I242 I250T181-V256 WeakPolarHBondContact O-CA 3.35Å; Y182-V256 HydrophobicContact CD1-CG2 3.72Å; Y182-V256 HydrophobicContact CE1-CG2 3.44Å; Y182-V256 VanDerWaalsContact CE1-CG2 3.44Å; Y182-V256 HydrophobicContact CG-CG2 4.44Å; K224-V256 HydrophobicContact CB-CB 4.41Å; K224-V256 PolarHBondContact N-O 2.79Å; K224-V256 PolarHBondContact O-N 2.84Å; I242-V256 HydrophobicContact CD1-CB 3.69Å; I242-V256 HydrophobicContact CD1-CG1 3.53Å; I242-V256 HydrophobicContact CD1-CG2 4Å; I250-V256 HydrophobicContact CD1-CB 4.07Å; I250-V256 HydrophobicContact CD1-CG2 3.78Å; I250-V256 HydrophobicContact CG1-CG2 4.15Å; I250-V256 HydrophobicContact CG2-CG2 4.4Å
257V89.3Confident88Confident0 Ų032.6 Ų32.60%018%0.183CC..EExtended strand (participates in β ladder)trans-97.6124.1176.9-170.40000108.1C169 G180 T181 L183 V217 V223 N259 L262 L263C169-V257 PolarHBondContact SG-O 2.93Å; G180-V257 CarbonylContact C-O 3.47Å; G180-V257 WeakPolarHBondContact CA-O 3.44Å; T181-V257 PolarHBondContact N-O 2.78Å; T181-V257 PolarHBondContact O-N 3.03Å; L183-V257 HydrophobicContact CD1-CG2 3.72Å; L183-V257 HydrophobicContact CG-CG2 4.49Å; V217-V257 HydrophobicContact CG1-CG2 3.91Å; V223-V257 HydrophobicContact CG1-CG2 4.25Å; V223-V257 HydrophobicContact CG2-CG1 4.31Å; V223-V257 HydrophobicContact CG2-CG2 4.29Å; V257-N259 WeakPolarHBondContact CG1-O 3.43Å; V257-L262 HydrophobicContact CG1-CB 4.07Å; V257-L263 HydrophobicContact CB-CD2 4.12Å; V257-L263 HydrophobicContact CG1-CD2 3.7Å
258T85.8Confident89.3Confident49 Ų4931.1 Ų31.130%0.30117%0.168SC..  trans-96.3-19.9-177.152.60000113.2D222D222-T258 PolarHBondContact O-OG1 2.83Å
259N89.1Confident90.1Very high61 Ų6130 Ų3033%0.32616%0.156SC..  trans-115.7117.5-179.5179.3-6.7000110.9V257 Q261 L262V257-N259 WeakPolarHBondContact CG1-O 3.43Å; N259-Q261 PolarHBondContact O-N 2.82Å; N259-Q261 VanDerWaalsContact O-N 3.14Å; N259-Q261 WeakPolarHBondContact OD1-CB 2.96Å; N259-Q261 PolarHBondContact OD1-N 2.85Å; N259-L262 HydrophobicContact CB-CD1 3.8Å; N259-L262 HydrophobicContact CB-CG 4Å; N259-L262 WeakPolarHBondContact O-CB 3.43Å; N259-L262 PolarHBondContact O-N 2.88Å
260N89.1Confident91Very high54 Ų5427.3 Ų27.329%0.28914%0.141SC..G310 helixtrans-59.1-23.8-179.5-64.9-22.9000113.8L167 C169 L262 L263L167-N260 PolarHBondContact O-OD1 2.89Å; C169-N260 WeakPolarHBondContact CB-OD1 3.36Å; C169-N260 PolarHBondContact N-OD1 3.06Å; C169-N260 PolarHBondContact SG-OD1 2.86Å; N260-L262 PolarHBondContact O-N 2.95Å; N260-L263 VanDerWaalsContact O-O 3.11Å
261Q91.6Very high91.8Very high88 Ų8827.9 Ų27.941%0.41114%0.144SC..G310 helixtrans-74.2-13.4179.2-58.1-63.4-62.100112.7N259N259-Q261 PolarHBondContact O-N 2.82Å; N259-Q261 VanDerWaalsContact O-N 3.14Å; N259-Q261 WeakPolarHBondContact OD1-CB 2.96Å; N259-Q261 PolarHBondContact OD1-N 2.85Å
262L94.9Very high92.5Very high5 Ų527 Ų273%0.02614%0.138CC..G310 helixtrans-91.6-2.5-176.9-60.1177.3000113.4T141 V217 I218 H220 D222 V223 V257 N259 N260T141-L262 HydrophobicContact CG2-CD2 4.22Å; V217-L262 CarbonylContact C-O 3.57Å; V217-L262 WeakPolarHBondContact CA-O 3.47Å; I218-L262 HydrophobicContact CB-CD2 4.38Å; I218-L262 HydrophobicContact CD1-CD2 4.5Å; I218-L262 PolarHBondContact N-O 2.84Å; H220-L262 HydrophobicContact CB-CD1 3.85Å; H220-L262 HydrophobicContact CB-CD2 4.04Å; D222-L262 HydrophobicContact CB-CD1 3.65Å; V223-L262 HydrophobicContact CG2-CD1 4.44Å; V257-L262 HydrophobicContact CG1-CB 4.07Å; N259-L262 HydrophobicContact CB-CD1 3.8Å; N259-L262 HydrophobicContact CB-CG 4Å; N259-L262 WeakPolarHBondContact O-CB 3.43Å; N259-L262 PolarHBondContact O-N 2.88Å; N260-L262 PolarHBondContact O-N 2.95Å
263L95.8Very high93.3Very high13 Ų1327.8 Ų27.87%0.06814%0.135CC..EExtended strand (participates in β ladder)trans-140.5154.6175.879.9159.6000112.3L167 T181 L183 C215 E216 V217 V257 N260L167-L263 HydrophobicContact CB-CD1 4.33Å; L167-L263 HydrophobicContact CD1-CD1 3.77Å; T181-L263 HydrophobicContact CG2-CD1 3.93Å; L183-L263 HydrophobicContact CD1-CD1 4.13Å; L183-L263 HydrophobicContact CD2-CD1 4.33Å; C215-L263 HydrophobicContact CB-CD1 4.45Å; E216-L263 CarbonylContact O-C 3.51Å; E216-L263 WeakPolarHBondContact O-CA 3.43Å; V217-L263 HydrophobicContact CG2-CB 4.08Å; V257-L263 HydrophobicContact CB-CD2 4.12Å; V257-L263 HydrophobicContact CG1-CD2 3.7Å; N260-L263 VanDerWaalsContact O-O 3.11Å
264R97.1Very high93.3Very high20 Ų2031.4 Ų31.48%0.07515%0.151CC..EExtended strand (participates in β ladder)trans-143.9152.1165.366.5-176.6-176.4179.5-2.5110.3Y130 N135 F138 Y139 C215 E216 K266Y130-R264 HydrophobicContact CE2-CB 4.24Å; Y130-R264 HydrophobicContact CE2-CG 4.12Å; N135-R264 PolarHBondContact OD1-NH1 3.41Å; F138-R264 VanDerWaalsContact CD1-CZ 3.43Å; F138-R264 HydrophobicContact CD2-CG 4.18Å; F138-R264 HydrophobicContact CE1-CG 4.39Å; F138-R264 HydrophobicContact CE2-CB 4.34Å; F138-R264 HydrophobicContact CE2-CG 3.88Å; F138-R264 HydrophobicContact CZ-CG 3.99Å; Y139-R264 PolarHBondContact OH-NH2 2.98Å; C215-R264 CarbonylContact C-O 3.57Å; C215-R264 VanDerWaalsContact CA-O 3.26Å; C215-R264 WeakPolarHBondContact CA-O 3.44Å; E216-R264 HydrophobicContact CB-CG 4.18Å; E216-R264 PolarHBondContact N-O 2.86Å; E216-R264 PolarHBondContact O-N 2.84Å; E216-R264 IonicContact OE2-CZ 2.97Å; E216-R264 VanDerWaalsContact OE2-CZ 3.26Å; E216-R264 IonicContact OE2-NE 3.66Å; E216-R264 PolarHBondContact OE2-NE 2.89Å; E216-R264 IonicContact OE2-NH2 3.28Å; E216-R264 PolarHBondContact OE2-NH2 3.01Å; R264-K266 PolarHBondContact O-N 2.88Å
265V98.1Very high92.4Very high2 Ų234.5 Ų34.51%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-74.7125.8172.7-179.30000108.4I128 Y130 I162 L167 A213 L268I128-V265 HydrophobicContact CD1-CB 4.13Å; I128-V265 HydrophobicContact CD1-CG1 3.75Å; Y130-V265 WeakPolarHBondContact CE2-O 3.49Å; Y130-V265 PolarHBondContact OH-N 2.84Å; Y130-V265 PolarHBondContact OH-O 3.33Å; I162-V265 HydrophobicContact CG2-CG2 3.75Å; L167-V265 HydrophobicContact CD1-CG2 4.11Å; L167-V265 HydrophobicContact CG-CG2 4.19Å; A213-V265 HydrophobicContact CB-CG1 3.86Å; A213-V265 HydrophobicContact CB-CG2 4.19Å; V265-L268 HydrophobicContact CG1-CD2 3.92Å
266K98.3Very high91Very high23 Ų2339 Ų3910%0.121%0.207CC..EExtended strand (participates in β ladder)trans-109.9-36.1-178-175.162.4-177.3156.50113E127 I128 V214 E216 R264E127-K266 WeakPolarHBondContact OE1-CE 3.43Å; E127-K266 IonicContact OE1-NZ 3.92Å; E127-K266 PolarHBondContact OE1-NZ 3.32Å; I128-K266 PolarHBondContact N-O 3.14Å; I128-K266 PolarHBondContact O-NZ 3.36Å; V214-K266 PolarHBondContact O-N 3.15Å; E216-K266 HydrophobicContact CB-CB 4.42Å; E216-K266 HydrophobicContact CG-CB 3.77Å; E216-K266 HydrophobicContact CG-CG 3.98Å; R264-K266 PolarHBondContact O-N 2.88Å
267Y98.8Very high89.1Confident3 Ų348.7 Ų48.71%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-133.6158.9176.2-53.7-91.6000112.2E104 K107 I108 L125 F126 E127 Y149 V214E104-Y267 PolarHBondContact OE2-OH 3.35Å; K107-Y267 PolarHBondContact NZ-OH 3.16Å; I108-Y267 HydrophobicContact CD1-CD1 3.95Å; I108-Y267 HydrophobicContact CD1-CD2 3.86Å; I108-Y267 HydrophobicContact CD1-CE1 4.37Å; I108-Y267 HydrophobicContact CD1-CE2 4.3Å; I108-Y267 HydrophobicContact CD1-CG 3.67Å; I108-Y267 HydrophobicContact CG1-CD2 3.99Å; I108-Y267 HydrophobicContact CG1-CE2 4.08Å; I108-Y267 HydrophobicContact CG1-CG 4.31Å; L125-Y267 HydrophobicContact CD1-CD1 4.49Å; F126-Y267 CarbonylContact O-C 3.59Å; F126-Y267 WeakPolarHBondContact O-CA 3.5Å; F126-Y267 WeakPolarHBondContact O-CB 3.37Å; E127-Y267 HydrophobicContact CB-CD1 3.74Å; E127-Y267 HydrophobicContact CB-CE1 3.75Å; E127-Y267 HydrophobicContact CG-CD1 3.91Å; E127-Y267 HydrophobicContact CG-CE1 3.62Å; Y149-Y267 HydrophobicContact CE1-CE2 4.3Å; V214-Y267 HydrophobicContact CB-CD2 4.18Å; V214-Y267 HydrophobicContact CG1-CD2 4.3Å; V214-Y267 PolarHBondContact N-O 2.77Å; V214-Y267 PolarHBondContact O-N 3.33Å; V214-Y267 VanDerWaalsContact O-N 3.1Å
268L98.8Very high87Confident0 Ų060.3 Ų60.30%029%0.293CS..EExtended strand (participates in β ladder)trans-124.3120172.8-58.2171.1000109L22 I97 F126 I128 F159 I163 A213 V265L22-L268 HydrophobicContact CD2-CD1 3.85Å; I97-L268 HydrophobicContact CD1-CD1 4.39Å; F126-L268 HydrophobicContact CB-CB 4.32Å; F126-L268 PolarHBondContact N-O 3.17Å; F126-L268 PolarHBondContact O-N 3.28Å; I128-L268 HydrophobicContact CD1-CD1 4.39Å; I128-L268 HydrophobicContact CD1-CG 4.39Å; F159-L268 HydrophobicContact CD1-CD2 3.84Å; F159-L268 HydrophobicContact CE1-CD2 3.87Å; I163-L268 HydrophobicContact CD1-CD1 3.75Å; I163-L268 HydrophobicContact CG1-CD1 4.22Å; A213-L268 HydrophobicContact CB-CD2 4.49Å; V265-L268 HydrophobicContact CG1-CD2 3.92Å
269L98.6Very high85.2Confident0 Ų062.1 Ų62.10%031%0.313CS..EExtended strand (participates in β ladder)trans-92.4117.4171.4-47.1-178.2000107.9F105 I108 P122 L125 F151 L187 C211 V212 V214 Y271F105-L269 HydrophobicContact CD2-CD2 4.14Å; F105-L269 HydrophobicContact CE2-CD1 4.38Å; F105-L269 HydrophobicContact CE2-CD2 4.24Å; I108-L269 HydrophobicContact CD1-CD2 4.33Å; P122-L269 HydrophobicContact CB-CB 4.13Å; P122-L269 HydrophobicContact CG-CD2 4.32Å; L125-L269 HydrophobicContact CD1-CD2 3.37Å; F151-L269 HydrophobicContact CD1-CD1 4.22Å; F151-L269 HydrophobicContact CE1-CD1 3.89Å; L187-L269 HydrophobicContact CD1-CD1 3.64Å; L187-L269 HydrophobicContact CD2-CD1 4.03Å; C211-L269 CarbonylContact C-O 3.51Å; C211-L269 VanDerWaalsContact CA-O 3.31Å; C211-L269 WeakPolarHBondContact CA-O 3.46Å; V212-L269 HydrophobicContact CB-CB 4.19Å; V212-L269 HydrophobicContact CB-CD1 4.38Å; V212-L269 HydrophobicContact CB-CG 4.49Å; V212-L269 HydrophobicContact CG1-CD1 4.48Å; V212-L269 PolarHBondContact N-O 2.62Å; V212-L269 PolarHBondContact O-N 3.42Å; V214-L269 HydrophobicContact CG2-CD1 4.25Å; V214-L269 HydrophobicContact CG2-CD2 4.07Å; V214-L269 HydrophobicContact CG2-CG 3.95Å; L269-Y271 HydrophobicContact CB-CE2 3.86Å
270V98.7Very high83.2Confident0 Ų063.8 Ų63.80%033%0.33CS..EExtended strand (participates in β ladder)trans-114.9127.9-176.4-178.60000110L22 D123 F124 F126 L209 S210L22-V270 HydrophobicContact CD1-CG2 3.87Å; D123-V270 PolarHBondContact N-O 2.95Å; F124-V270 HydrophobicContact CB-CB 4.23Å; F124-V270 HydrophobicContact CD2-CG1 4.43Å; F124-V270 PolarHBondContact N-O 2.98Å; F124-V270 PolarHBondContact O-N 2.96Å; F126-V270 HydrophobicContact CD2-CG2 3.89Å; F126-V270 HydrophobicContact CE2-CB 4.28Å; F126-V270 HydrophobicContact CE2-CG2 3.86Å; L209-V270 HydrophobicContact CB-CG1 4.4Å; L209-V270 HydrophobicContact CD1-CG1 4.43Å; L209-V270 HydrophobicContact CD2-CG1 4.12Å; S210-V270 WeakPolarHBondContact O-CA 3.27Å
271Y98.4Very high81.6Confident13 Ų1366.2 Ų66.25%0.05135%0.351CS..EExtended strand (participates in β ladder)trans-113.9123.5-179.6-57.6-92.4000108.5P120 P122 L191 L209 S210 V212 L269P120-Y271 HydrophobicContact CB-CD1 4.47Å; P120-Y271 HydrophobicContact CB-CE1 4.14Å; P120-Y271 HydrophobicContact CG-CD1 4.32Å; P120-Y271 HydrophobicContact CG-CE1 3.88Å; P120-Y271 WeakPolarHBondContact O-CE1 3.47Å; P120-Y271 PolarHBondContact O-OH 2.82Å; P122-Y271 HydrophobicContact CB-CE1 4.1Å; L191-Y271 HydrophobicContact CD2-CD2 4.07Å; L191-Y271 HydrophobicContact CD2-CE1 4.4Å; L191-Y271 HydrophobicContact CD2-CE2 3.6Å; L209-Y271 CarbonylContact C-O 3.53Å; L209-Y271 WeakPolarHBondContact CA-O 3.49Å; S210-Y271 PolarHBondContact N-O 3.29Å; S210-Y271 PolarHBondContact O-N 2.86Å; V212-Y271 HydrophobicContact CG2-CE2 4.09Å; L269-Y271 HydrophobicContact CB-CE2 3.86Å
272S97.6Very high79.9Confident23 Ų2369.9 Ų69.916%0.16137%0.368CS..EExtended strand (participates in β ladder)trans-98.6125.3-179.9-1750000109.8D123 L205 K274D123-S272 PolarHBondContact OD2-N 3.31Å; L205-S272 VanDerWaalsContact O-CB 3.23Å; L205-S272 WeakPolarHBondContact O-CB 3.37Å; L205-S272 PolarHBondContact O-OG 3.49Å; S272-K274 PolarHBondContact O-N 3.41Å
273Q94.3Very high78Confident93 Ų9376.7 Ų76.744%0.43540%0.404SS..  trans-71.3102.6173.8-170.6174.4-5.700108.7I208I208-Q273 HydrophobicContact CB-CB 4.02Å; I208-Q273 HydrophobicContact CG2-CB 3.84Å; I208-Q273 VanDerWaalsContact CG2-OE1 3.23Å; I208-Q273 PolarHBondContact O-N 2.76Å
274K82.6Confident76.2Confident150 Ų15079.8 Ų79.865%0.65243%0.426SS*.PPolyproline II helixtrans-60.1130.3172.4-70.2174.8-175.3159.40108.3D123 S272D123-K274 IonicContact OD1-NZ 3.5Å; D123-K274 PolarHBondContact OD1-NZ 3.46Å; S272-K274 PolarHBondContact O-N 3.41Å
275P67.1Low74.6Confident108 Ų10885.6 Ų85.670%0.70145%0.449SS*.PPolyproline II helixtrans-56.9139.7171.424.2-31.6000107.8K277P275-K277 PolarHBondContact O-N 3.26Å
276P59.1Low72.8Confident113 Ų11391.1 Ų91.173%0.73447%0.473SS*.PPolyproline II helixtrans-53.6123.4175.721.2-30.5000107.6R278P276-R278 PolarHBondContact O-N 2.96Å
277K49.2Very low71.1Confident205 Ų20594.4 Ų94.489%0.89150%0.499SS*.  trans-53.9111171.4-71.1-175.6179.5-178.30105.3P275 A279P275-K277 PolarHBondContact O-N 3.26Å; K277-A279 VanDerWaalsContact C-N 3.29Å; K277-A279 PolarHBondContact O-N 3.34Å
278R44.8Very low69.7Low243 Ų24398 Ų9892%0.91752%0.524SS*.  trans-58.197.6176-80-179.6175.3172-1.6107.1P276P276-R278 PolarHBondContact O-N 2.96Å
279A48.1Very low68.7Low87 Ų87101.7 Ų101.772%0.71954%0.541SS*.  trans-58140.3154.200000106.4K277K277-A279 VanDerWaalsContact C-N 3.29Å; K277-A279 PolarHBondContact O-N 3.34Å
280S46.4Very low67.9Low96 Ų96109.3 Ų109.367%0.67157%0.57SS**  trans-30.8134.8-171.547.20000115.3Q282S280-Q282 PolarHBondContact O-N 3.36Å
281S56.3Low67.1Low105 Ų105116.7 Ų116.773%0.73460%0.602SS**THydrogen-bonded Turntrans-580.7-17056.10000117.1
282Q55.9Low66.5Low165 Ų165119.8 Ų119.877%0.77162%0.623SS**THydrogen-bonded Turntrans-86.5-31-175.2-66.5-167.6-19.500113.6S280S280-Q282 PolarHBondContact O-N 3.36Å
283L54.8Low66.1Low149 Ų149119.9 Ų119.978%0.7862%0.623SS**SBendtrans-82.4-17.7178.3-110.179.8000114.1S287L283-S287 PolarHBondContact O-N 3.18Å
284S57.2Low65.9Low77 Ų77119 Ų11954%0.53862%0.62SS.*Hα-helixtrans-75.9-28-171.6126.40000113.8S288S284-S288 WeakPolarHBondContact O-CB 3.31Å; S284-S288 PolarHBondContact O-N 2.68Å; S284-S288 PolarHBondContact O-OG 3.34Å
285W63.6Low66.4Low143 Ų143115.3 Ų115.354%0.54261%0.606SS.*Hα-helixtrans-70-44179.8-173.883.5000112.1S287 S288 H289W285-S287 VanDerWaalsContact C-N 3.34Å; W285-S287 PolarHBondContact O-N 3.26Å; W285-S288 WeakPolarHBondContact CA-OG 3.48Å; W285-S288 PolarHBondContact O-N 2.83Å; W285-S288 PolarHBondContact O-OG 2.88Å; W285-H289 AromaticContact CD1-CE1 3.8Å; W285-H289 AromaticContact CD1-ND1 3.75Å; W285-H289 AromaticContact NE1-CE1 3.67Å; W285-H289 AromaticContact NE1-ND1 3.67Å; W285-H289 PolarHBondContact O-N 2.88Å; W285-H289 VanDerWaalsContact O-N 3.09Å; W285-H289 PolarHBondContact O-ND1 2.81Å
286F60.1Low67.5Low117 Ų117113.4 Ų113.451%0.51360%0.595SS.*Hα-helixtrans-64.4-37.2176.1-88.5-81.6000112.7W290 V293F286-W290 WeakPolarHBondContact O-CA 3.24Å; F286-W290 PolarHBondContact O-N 3.15Å; F286-W290 VanDerWaalsContact O-N 3.08Å; F286-V293 HydrophobicContact CD1-CG1 4.2Å; F286-V293 HydrophobicContact CD1-CG2 3.91Å; F286-V293 HydrophobicContact CE1-CG1 4.19Å; F286-V293 HydrophobicContact CE1-CG2 4.12Å
287S62.7Low69.2Low93 Ų93112.6 Ų112.665%0.6558%0.584SS**Hα-helixtrans-68.9-41176.4167.80000112.5L283 W285 H289L283-S287 PolarHBondContact O-N 3.18Å; W285-S287 VanDerWaalsContact C-N 3.34Å; W285-S287 PolarHBondContact O-N 3.26Å; S287-H289 VanDerWaalsContact C-N 3.33Å; S287-H289 PolarHBondContact O-N 2.94Å
288S70Confident71.3Confident79 Ų79109.8 Ų109.855%0.55257%0.569SS**Hα-helixtrans-73.2-23.2179.949.70000113.7S284 W285S284-S288 WeakPolarHBondContact O-CB 3.31Å; S284-S288 PolarHBondContact O-N 2.68Å; S284-S288 PolarHBondContact O-OG 3.34Å; W285-S288 WeakPolarHBondContact CA-OG 3.48Å; W285-S288 PolarHBondContact O-N 2.83Å; W285-S288 PolarHBondContact O-OG 2.88Å
289H78.4Confident73.7Confident76 Ų76102.8 Ų102.835%0.35255%0.549SS..THydrogen-bonded Turntrans-114.822.6179.5-58.580.5000112.7W285 S287 F291 T292 V293W285-H289 AromaticContact CD1-CE1 3.8Å; W285-H289 AromaticContact CD1-ND1 3.75Å; W285-H289 AromaticContact NE1-CE1 3.67Å; W285-H289 AromaticContact NE1-ND1 3.67Å; W285-H289 PolarHBondContact O-N 2.88Å; W285-H289 VanDerWaalsContact O-N 3.09Å; W285-H289 PolarHBondContact O-ND1 2.81Å; S287-H289 VanDerWaalsContact C-N 3.33Å; S287-H289 PolarHBondContact O-N 2.94Å; H289-F291 PolarHBondContact O-N 2.79Å; H289-F291 VanDerWaalsContact O-N 3.12Å; H289-T292 WeakPolarHBondContact O-CB 3.42Å; H289-T292 PolarHBondContact O-N 3.08Å; H289-V293 WeakPolarHBondContact O-CG2 3.47Å; H289-V293 PolarHBondContact O-N 2.97Å
290W80.8Confident75.9Confident160 Ų160103.4 Ų103.461%0.60654%0.54SS*.Hα-helixtrans-51.1-41.7-175.5178.2-100000112.7F286 V293 M294F286-W290 WeakPolarHBondContact O-CA 3.24Å; F286-W290 PolarHBondContact O-N 3.15Å; F286-W290 VanDerWaalsContact O-N 3.08Å; W290-V293 PolarHBondContact O-N 3.49Å; W290-M294 HydrophobicContact CD2-CE 4.48Å; W290-M294 HydrophobicContact CD2-CG 4.32Å; W290-M294 HydrophobicContact CE3-CE 4.46Å; W290-M294 HydrophobicContact CG-CG 4.49Å; W290-M294 HydrophobicContact CH2-CE 3.74Å; W290-M294 HydrophobicContact CH2-SD 4.47Å; W290-M294 HydrophobicContact CZ2-CE 3.73Å; W290-M294 HydrophobicContact CZ2-CG 4.21Å; W290-M294 HydrophobicContact CZ2-SD 3.88Å; W290-M294 HydrophobicContact CZ3-CE 4.11Å; W290-M294 WeakPolarHBondContact O-CB 3.18Å; W290-M294 VanDerWaalsContact O-CG 3.26Å; W290-M294 WeakPolarHBondContact O-CG 3.45Å; W290-M294 PolarHBondContact O-N 3.14Å
291F81.7Confident78.2Confident155 Ų155103.6 Ų103.668%0.6853%0.533SS*.Hα-helixtrans-63.4-45.4177.6-174.5-105.7000112.7H289 V293 M294 I295H289-F291 PolarHBondContact O-N 2.79Å; H289-F291 VanDerWaalsContact O-N 3.12Å; F291-V293 VanDerWaalsContact C-N 3.34Å; F291-V293 PolarHBondContact O-N 2.74Å; F291-M294 PolarHBondContact O-N 3.2Å; F291-I295 HydrophobicContact CD1-CD1 3.77Å; F291-I295 HydrophobicContact CE1-CD1 3.24Å; F291-I295 HydrophobicContact CE1-CG1 4.39Å; F291-I295 HydrophobicContact CE2-CD1 4.2Å; F291-I295 HydrophobicContact CG-CD1 4.46Å; F291-I295 HydrophobicContact CZ-CD1 3.49Å; F291-I295 VanDerWaalsContact CZ-CD1 3.49Å; F291-I295 HydrophobicContact CZ-CG1 4.41Å; F291-I295 WeakPolarHBondContact O-CG1 3.42Å; F291-I295 PolarHBondContact O-N 2.9Å
292T85.7Confident80Confident78 Ų78102.4 Ų102.448%0.47952%0.518SS..Hα-helixtrans-63.4-42.3176.6-46.90000111H289 I295 S296H289-T292 WeakPolarHBondContact O-CB 3.42Å; H289-T292 PolarHBondContact O-N 3.08Å; T292-I295 PolarHBondContact O-N 3.47Å; T292-S296 WeakPolarHBondContact O-CB 3.38Å; T292-S296 PolarHBondContact O-N 3.35Å; T292-S296 PolarHBondContact O-OG 2.99Å; T292-S296 VanDerWaalsContact O-OG 3.07Å
293V89.1Confident81.8Confident26 Ų2699.9 Ų99.916%0.15851%0.509CS..Hα-helixtrans-62.2-45177.11730000111F286 H289 W290 F291 S296 L297F286-V293 HydrophobicContact CD1-CG1 4.2Å; F286-V293 HydrophobicContact CD1-CG2 3.91Å; F286-V293 HydrophobicContact CE1-CG1 4.19Å; F286-V293 HydrophobicContact CE1-CG2 4.12Å; H289-V293 WeakPolarHBondContact O-CG2 3.47Å; H289-V293 PolarHBondContact O-N 2.97Å; W290-V293 PolarHBondContact O-N 3.49Å; F291-V293 VanDerWaalsContact C-N 3.34Å; F291-V293 PolarHBondContact O-N 2.74Å; V293-S296 PolarHBondContact O-N 2.96Å; V293-L297 HydrophobicContact CG1-CD1 3.92Å; V293-L297 WeakPolarHBondContact O-CB 3.44Å; V293-L297 PolarHBondContact O-N 3.3Å
294M90.7Very high83.5Confident75 Ų7597 Ų9737%0.36949%0.493SS..Hα-helixtrans-63.3-41.1176.5-72.4-64.6106.800112.3W290 F291 L297 Y298W290-M294 HydrophobicContact CD2-CE 4.48Å; W290-M294 HydrophobicContact CD2-CG 4.32Å; W290-M294 HydrophobicContact CE3-CE 4.46Å; W290-M294 HydrophobicContact CG-CG 4.49Å; W290-M294 HydrophobicContact CH2-CE 3.74Å; W290-M294 HydrophobicContact CH2-SD 4.47Å; W290-M294 HydrophobicContact CZ2-CE 3.73Å; W290-M294 HydrophobicContact CZ2-CG 4.21Å; W290-M294 HydrophobicContact CZ2-SD 3.88Å; W290-M294 HydrophobicContact CZ3-CE 4.11Å; W290-M294 WeakPolarHBondContact O-CB 3.18Å; W290-M294 VanDerWaalsContact O-CG 3.26Å; W290-M294 WeakPolarHBondContact O-CG 3.45Å; W290-M294 PolarHBondContact O-N 3.14Å; F291-M294 PolarHBondContact O-N 3.2Å; M294-L297 HydrophobicContact CE-CD1 3.84Å; M294-Y298 WeakPolarHBondContact O-CB 3.18Å; M294-Y298 PolarHBondContact O-N 3.01Å
295I91.9Very high85Confident72 Ų7297.1 Ų97.137%0.36949%0.491SS..Hα-helixtrans-64.4-46.3175.6-77175.8000111.3F291 T292 L297 Y298 L299F291-I295 HydrophobicContact CD1-CD1 3.77Å; F291-I295 HydrophobicContact CE1-CD1 3.24Å; F291-I295 HydrophobicContact CE1-CG1 4.39Å; F291-I295 HydrophobicContact CE2-CD1 4.2Å; F291-I295 HydrophobicContact CG-CD1 4.46Å; F291-I295 HydrophobicContact CZ-CD1 3.49Å; F291-I295 VanDerWaalsContact CZ-CD1 3.49Å; F291-I295 HydrophobicContact CZ-CG1 4.41Å; F291-I295 WeakPolarHBondContact O-CG1 3.42Å; F291-I295 PolarHBondContact O-N 2.9Å; T292-I295 PolarHBondContact O-N 3.47Å; I295-L297 VanDerWaalsContact C-N 3.34Å; I295-L297 PolarHBondContact O-N 3.47Å; I295-Y298 PolarHBondContact O-N 2.83Å; I295-L299 HydrophobicContact CG2-CD1 3.95Å; I295-L299 HydrophobicContact CG2-CG 4.43Å; I295-L299 WeakPolarHBondContact O-CG 3.47Å; I295-L299 PolarHBondContact O-N 2.68Å
296S91.9Very high86.1Confident67 Ų6794 Ų9447%0.46949%0.491SS..Hα-helixtrans-62.5-41.4178.9-62.70000111.9T292 V293 L299 L300T292-S296 WeakPolarHBondContact O-CB 3.38Å; T292-S296 PolarHBondContact O-N 3.35Å; T292-S296 PolarHBondContact O-OG 2.99Å; T292-S296 VanDerWaalsContact O-OG 3.07Å; V293-S296 PolarHBondContact O-N 2.96Å; S296-L299 PolarHBondContact O-N 2.98Å; S296-L300 WeakPolarHBondContact O-CB 3.28Å; S296-L300 PolarHBondContact O-N 3.3Å
297L93.2Very high87.3Confident96 Ų9691.9 Ų91.950%0.50349%0.487SS..Hα-helixtrans-62.5-42.4174.1-89.4156.6000112.2V293 M294 I295 L300 L301V293-L297 HydrophobicContact CG1-CD1 3.92Å; V293-L297 WeakPolarHBondContact O-CB 3.44Å; V293-L297 PolarHBondContact O-N 3.3Å; M294-L297 HydrophobicContact CE-CD1 3.84Å; I295-L297 VanDerWaalsContact C-N 3.34Å; I295-L297 PolarHBondContact O-N 3.47Å; L297-L300 PolarHBondContact O-N 2.96Å; L297-L301 WeakPolarHBondContact O-CB 3.38Å; L297-L301 PolarHBondContact O-N 2.75Å
298Y94.4Very high88.3Confident147 Ų14792 Ų9258%0.57648%0.479SS*.Hα-helixtrans-63.9-44.8177.5-179.7-109.2000112.1M294 I295 L300 L301 L302M294-Y298 WeakPolarHBondContact O-CB 3.18Å; M294-Y298 PolarHBondContact O-N 3.01Å; I295-Y298 PolarHBondContact O-N 2.83Å; Y298-L300 VanDerWaalsContact C-N 3.34Å; Y298-L300 PolarHBondContact O-N 3.21Å; Y298-L301 PolarHBondContact O-N 3.19Å; Y298-L302 HydrophobicContact CD1-CD1 4.03Å; Y298-L302 HydrophobicContact CE1-CD1 3.5Å; Y298-L302 HydrophobicContact CE1-CG 4.23Å; Y298-L302 HydrophobicContact CE2-CG 4.5Å; Y298-L302 WeakPolarHBondContact O-CG 3.15Å; Y298-L302 PolarHBondContact O-N 2.6Å
299L94.9Very high88.7Confident96 Ų9693.9 Ų93.950%0.50348%0.484SS..Hα-helixtrans-63.6-39.1175.7-69.8173000112.2I295 S296 L301 L302 L303I295-L299 HydrophobicContact CG2-CD1 3.95Å; I295-L299 HydrophobicContact CG2-CG 4.43Å; I295-L299 WeakPolarHBondContact O-CG 3.47Å; I295-L299 PolarHBondContact O-N 2.68Å; S296-L299 PolarHBondContact O-N 2.98Å; L299-L301 VanDerWaalsContact C-N 3.34Å; L299-L302 PolarHBondContact O-N 2.92Å; L299-L303 PolarHBondContact O-N 3.36Å
300L94.9Very high89.1Confident99 Ų9992.2 Ų92.252%0.51848%0.48SS..Hα-helixtrans-62.3-42.8175-16590000111.2S296 L297 Y298 L303 I304S296-L300 WeakPolarHBondContact O-CB 3.28Å; S296-L300 PolarHBondContact O-N 3.3Å; L297-L300 PolarHBondContact O-N 2.96Å; Y298-L300 VanDerWaalsContact C-N 3.34Å; Y298-L300 PolarHBondContact O-N 3.21Å; L300-L303 WeakPolarHBondContact O-CB 3.35Å; L300-L303 PolarHBondContact O-N 3.2Å; L300-I304 HydrophobicContact CD2-CD1 4.12Å; L300-I304 HydrophobicContact CG-CD1 4.17Å; L300-I304 VanDerWaalsContact O-CG1 3.3Å; L300-I304 WeakPolarHBondContact O-CG1 3.32Å; L300-I304 PolarHBondContact O-N 3.31Å
301L94.5Very high88.7Confident101 Ų10188.6 Ų88.653%0.52948%0.479SS..Hα-helixtrans-63.6-42.5177.7-173.1135000111.5L297 Y298 L299 L303 I304 V305L297-L301 WeakPolarHBondContact O-CB 3.38Å; L297-L301 PolarHBondContact O-N 2.75Å; Y298-L301 PolarHBondContact O-N 3.19Å; L299-L301 VanDerWaalsContact C-N 3.34Å; L301-L303 VanDerWaalsContact C-N 3.34Å; L301-L303 PolarHBondContact O-N 3.16Å; L301-I304 PolarHBondContact O-N 3.41Å; L301-V305 HydrophobicContact CD2-CG2 4.38Å; L301-V305 WeakPolarHBondContact O-CG2 3.49Å; L301-V305 PolarHBondContact O-N 2.86Å
302L93.9Very high88.4Confident79 Ų7984.6 Ų84.641%0.41448%0.475SS..Hα-helixtrans-61.9-40.8174-71177.4000112.2Y298 L299 V305 S306Y298-L302 HydrophobicContact CD1-CD1 4.03Å; Y298-L302 HydrophobicContact CE1-CD1 3.5Å; Y298-L302 HydrophobicContact CE1-CG 4.23Å; Y298-L302 HydrophobicContact CE2-CG 4.5Å; Y298-L302 WeakPolarHBondContact O-CG 3.15Å; Y298-L302 PolarHBondContact O-N 2.6Å; L299-L302 PolarHBondContact O-N 2.92Å; L302-V305 PolarHBondContact O-N 2.71Å; L302-S306 VanDerWaalsContact O-CB 3.25Å; L302-S306 WeakPolarHBondContact O-CB 3.45Å; L302-S306 PolarHBondContact O-N 2.87Å
303L92.9Very high87.8Confident112 Ų11284.4 Ų84.459%0.58647%0.468SS*.Hα-helixtrans-61.9-45.8174.2-96.3163.5000111.8L299 L300 L301 S306 V307L299-L303 PolarHBondContact O-N 3.36Å; L300-L303 WeakPolarHBondContact O-CB 3.35Å; L300-L303 PolarHBondContact O-N 3.2Å; L301-L303 VanDerWaalsContact C-N 3.34Å; L301-L303 PolarHBondContact O-N 3.16Å; L303-S306 PolarHBondContact O-N 3.44Å; L303-V307 VanDerWaalsContact O-CG2 3.31Å; L303-V307 WeakPolarHBondContact O-CG2 3.37Å; L303-V307 PolarHBondContact O-N 2.94Å
304I90.5Very high87.1Confident89 Ų8987.5 Ų87.546%0.45648%0.481SS..Hα-helixtrans-61.5-47.2178.2-69.9165.6000110.5L300 L301 S306 V307 I308L300-I304 HydrophobicContact CD2-CD1 4.12Å; L300-I304 HydrophobicContact CG-CD1 4.17Å; L300-I304 VanDerWaalsContact O-CG1 3.3Å; L300-I304 WeakPolarHBondContact O-CG1 3.32Å; L300-I304 PolarHBondContact O-N 3.31Å; L301-I304 PolarHBondContact O-N 3.41Å; I304-S306 VanDerWaalsContact C-N 3.31Å; I304-S306 PolarHBondContact O-N 3.38Å; I304-V307 PolarHBondContact O-N 2.99Å; I304-I308 HydrophobicContact CG2-CD1 3.63Å; I304-I308 HydrophobicContact CG2-CG1 4.38Å; I304-I308 WeakPolarHBondContact O-CB 3.49Å; I304-I308 VanDerWaalsContact O-CG1 3.26Å; I304-I308 WeakPolarHBondContact O-CG1 3.4Å; I304-I308 PolarHBondContact O-N 2.87Å
305V88.8Confident86.3Confident80 Ų8090.8 Ų90.849%0.48549%0.494SS..Hα-helixtrans-60.8-42.5176.2171.90000110.8L301 L302 V307 I308 N309L301-V305 HydrophobicContact CD2-CG2 4.38Å; L301-V305 WeakPolarHBondContact O-CG2 3.49Å; L301-V305 PolarHBondContact O-N 2.86Å; L302-V305 PolarHBondContact O-N 2.71Å; V305-V307 PolarHBondContact O-N 3.05Å; V305-I308 PolarHBondContact O-N 3.07Å; V305-N309 VanDerWaalsContact O-CB 3.26Å; V305-N309 WeakPolarHBondContact O-CB 3.43Å; V305-N309 PolarHBondContact O-N 3.4Å
306S86.2Confident85.7Confident78 Ų7894.1 Ų94.155%0.54551%0.507SS..Hα-helixtrans-64-39177.5-171.60000112.5L302 L303 I304 S310L302-S306 VanDerWaalsContact O-CB 3.25Å; L302-S306 WeakPolarHBondContact O-CB 3.45Å; L302-S306 PolarHBondContact O-N 2.87Å; L303-S306 PolarHBondContact O-N 3.44Å; I304-S306 VanDerWaalsContact C-N 3.31Å; I304-S306 PolarHBondContact O-N 3.38Å; S306-S310 WeakPolarHBondContact O-CB 3.49Å; S306-S310 PolarHBondContact O-N 3.04Å
307V87.1Confident84.9Confident72 Ų7297.2 Ų97.244%0.43651%0.508SS..Hα-helixtrans-69.4-46.9177.21700000110.3L303 I304 V305 N309 S310 F313L303-V307 VanDerWaalsContact O-CG2 3.31Å; L303-V307 WeakPolarHBondContact O-CG2 3.37Å; L303-V307 PolarHBondContact O-N 2.94Å; I304-V307 PolarHBondContact O-N 2.99Å; V305-V307 PolarHBondContact O-N 3.05Å; V307-N309 PolarHBondContact O-N 3.09Å; V307-S310 WeakPolarHBondContact O-CB 3.13Å; V307-S310 PolarHBondContact O-N 3.32Å; V307-S310 VanDerWaalsContact O-N 3.07Å; V307-S310 PolarHBondContact O-OG 2.98Å; V307-F313 HydrophobicContact CG1-CB 4.46Å; V307-F313 HydrophobicContact CG1-CD2 4.14Å; V307-F313 HydrophobicContact CG1-CG 4.3Å; V307-F313 WeakPolarHBondContact O-CB 3.41Å
308I83.7Confident83.9Confident94 Ų9497.3 Ų97.348%0.48251%0.509SS..Hα-helixtrans-60-37.5177.9-68.7169000111.4I304 V305 S310 F313I304-I308 HydrophobicContact CG2-CD1 3.63Å; I304-I308 HydrophobicContact CG2-CG1 4.38Å; I304-I308 WeakPolarHBondContact O-CB 3.49Å; I304-I308 VanDerWaalsContact O-CG1 3.26Å; I304-I308 WeakPolarHBondContact O-CG1 3.4Å; I304-I308 PolarHBondContact O-N 2.87Å; V305-I308 PolarHBondContact O-N 3.07Å; I308-S310 VanDerWaalsContact C-N 3.33Å; I308-F313 HydrophobicContact CG1-CE1 4.37Å
309N78.3Confident82.8Confident120 Ų120100.1 Ų100.164%0.64252%0.519SS*.THydrogen-bonded Turntrans-87.90.1180-153.927.7000113.6V305 V307V305-N309 VanDerWaalsContact O-CB 3.26Å; V305-N309 WeakPolarHBondContact O-CB 3.43Å; V305-N309 PolarHBondContact O-N 3.4Å; V307-N309 PolarHBondContact O-N 3.09Å
310S85.1Confident81.7Confident40 Ų4098.8 Ų98.828%0.2852%0.522SS..SBendtrans-73.9137.1176.375.10000110.6S306 V307 I308 A312 F313 Q314S306-S310 WeakPolarHBondContact O-CB 3.49Å; S306-S310 PolarHBondContact O-N 3.04Å; V307-S310 WeakPolarHBondContact O-CB 3.13Å; V307-S310 PolarHBondContact O-N 3.32Å; V307-S310 VanDerWaalsContact O-N 3.07Å; V307-S310 PolarHBondContact O-OG 2.98Å; I308-S310 VanDerWaalsContact C-N 3.33Å; S310-A312 PolarHBondContact O-N 2.93Å; S310-F313 PolarHBondContact O-N 3.4Å; S310-F313 VanDerWaalsContact O-N 3.16Å; S310-F313 VanDerWaalsContact OG-CB 3.27Å; S310-F313 WeakPolarHBondContact OG-CB 3.22Å; S310-F313 PolarHBondContact OG-N 3.17Å; S310-Q314 PolarHBondContact O-N 3.14Å
311S74.1Confident80.2Confident84 Ų84101.6 Ų101.659%0.58753%0.529SS*.Hα-helixtrans-59.5-32.4177.654.90000112.2H315S311-H315 VanDerWaalsContact O-CB 3.31Å; S311-H315 WeakPolarHBondContact O-CB 3.49Å; S311-H315 PolarHBondContact O-CD2 3.02Å; S311-H315 PolarHBondContact O-N 3.04Å
312A74.6Confident78.2Confident71 Ų71110.4 Ų110.459%0.58756%0.556SS**Hα-helixtrans-63.8-45.3175.300000112.8S310 H315 F316S310-A312 PolarHBondContact O-N 2.93Å; A312-H315 PolarHBondContact O-N 3.46Å; A312-F316 WeakPolarHBondContact O-CB 3.26Å; A312-F316 PolarHBondContact O-N 2.71Å
313F74.1Confident77.4Confident75 Ų75112 Ų11233%0.32956%0.563SS.*Hα-helixtrans-69.3-41.1177.2-175.8-100.4000111.8V307 I308 S310 H315 F316 W317V307-F313 HydrophobicContact CG1-CB 4.46Å; V307-F313 HydrophobicContact CG1-CD2 4.14Å; V307-F313 HydrophobicContact CG1-CG 4.3Å; V307-F313 WeakPolarHBondContact O-CB 3.41Å; I308-F313 HydrophobicContact CG1-CE1 4.37Å; S310-F313 PolarHBondContact O-N 3.4Å; S310-F313 VanDerWaalsContact O-N 3.16Å; S310-F313 VanDerWaalsContact OG-CB 3.27Å; S310-F313 WeakPolarHBondContact OG-CB 3.22Å; S310-F313 PolarHBondContact OG-N 3.17Å; F313-H315 VanDerWaalsContact C-N 3.34Å; F313-H315 PolarHBondContact O-N 3.22Å; F313-F316 PolarHBondContact O-N 2.65Å; F313-W317 VanDerWaalsContact O-CB 3.29Å; F313-W317 WeakPolarHBondContact O-CB 3.37Å; F313-W317 PolarHBondContact O-N 3.47Å
314Q73.4Confident76.6Confident91 Ų91111.9 Ų111.943%0.42556%0.562SS.*Hα-helixtrans-62.3-40.4174.8-69.3-174.1-1.800112S310 N318S310-Q314 PolarHBondContact O-N 3.14Å; Q314-N318 VanDerWaalsContact O-CB 3.26Å; Q314-N318 WeakPolarHBondContact O-CB 3.41Å; Q314-N318 PolarHBondContact O-N 3.17Å; Q314-N318 PolarHBondContact O-ND2 3.04Å
315H73.7Confident75.8Confident143 Ų143113.2 Ų113.266%0.66257%0.567SS**Hα-helixtrans-64.6-42.5174.1-90.6-67000112.7S311 A312 F313 R319S311-H315 VanDerWaalsContact O-CB 3.31Å; S311-H315 WeakPolarHBondContact O-CB 3.49Å; S311-H315 PolarHBondContact O-CD2 3.02Å; S311-H315 PolarHBondContact O-N 3.04Å; A312-H315 PolarHBondContact O-N 3.46Å; F313-H315 VanDerWaalsContact C-N 3.34Å; F313-H315 PolarHBondContact O-N 3.22Å; H315-R319 WeakPolarHBondContact O-CB 3.46Å; H315-R319 PolarHBondContact O-N 2.79Å; H315-R319 VanDerWaalsContact O-N 3.14Å
316F79.4Confident75Confident143 Ų143115.2 Ų115.263%0.62757%0.572SS**Hα-helixtrans-63.8-47176.1-179.8-96.8000111.7A312 F313 N318 R319 A320A312-F316 WeakPolarHBondContact O-CB 3.26Å; A312-F316 PolarHBondContact O-N 2.71Å; F313-F316 PolarHBondContact O-N 2.65Å; F316-N318 PolarHBondContact O-N 2.72Å; F316-R319 WeakPolarHBondContact O-CB 3.34Å; F316-R319 PolarHBondContact O-N 3.3Å; F316-R319 VanDerWaalsContact O-N 3.16Å; F316-A320 PolarHBondContact O-N 3.29Å
317W74.3Confident74.3Confident131 Ų131117.5 Ų117.550%0.49657%0.574SS.*Hα-helixtrans-64.8-40.3180-170.9-109.9000112.8F313 R319 A320 K321F313-W317 VanDerWaalsContact O-CB 3.29Å; F313-W317 WeakPolarHBondContact O-CB 3.37Å; F313-W317 PolarHBondContact O-N 3.47Å; W317-R319 VanDerWaalsContact C-N 3.26Å; W317-R319 PolarHBondContact O-N 3.3Å; W317-A320 PolarHBondContact O-N 3.17Å; W317-K321 VanDerWaalsContact NE1-CE 3.33Å; W317-K321 PolarHBondContact O-N 3.47Å
318N73.3Confident73.5Confident98 Ų98120.5 Ų120.552%0.52458%0.583SS.*Hα-helixtrans-68.1-26.3175.2-71.8-18.5000112.6Q314 F316Q314-N318 VanDerWaalsContact O-CB 3.26Å; Q314-N318 WeakPolarHBondContact O-CB 3.41Å; Q314-N318 PolarHBondContact O-N 3.17Å; Q314-N318 PolarHBondContact O-ND2 3.04Å; F316-N318 PolarHBondContact O-N 2.72Å
319R72.1Confident72.7Confident207 Ų207122.4 Ų122.478%0.78159%0.59SS**Hα-helixtrans-79-30.9175-161.2174.2-176.8158.20.2112.5H315 F316 W317 K321H315-R319 WeakPolarHBondContact O-CB 3.46Å; H315-R319 PolarHBondContact O-N 2.79Å; H315-R319 VanDerWaalsContact O-N 3.14Å; F316-R319 WeakPolarHBondContact O-CB 3.34Å; F316-R319 PolarHBondContact O-N 3.3Å; F316-R319 VanDerWaalsContact O-N 3.16Å; W317-R319 VanDerWaalsContact C-N 3.26Å; W317-R319 PolarHBondContact O-N 3.3Å; R319-K321 VanDerWaalsContact C-N 3.33Å
320A70.2Confident72.3Confident68 Ų68122.6 Ų122.656%0.56259%0.586SS**Hα-helixtrans-77.9-15.2174.600000113.9F316 W317F316-A320 PolarHBondContact O-N 3.29Å; W317-A320 PolarHBondContact O-N 3.17Å
321K63.9Low71.3Confident157 Ų157129.5 Ų129.568%0.68361%0.612SS**THydrogen-bonded Turntrans-90.6-7.1175.3-83.8-173.3173.1-176.20114.8W317 R319W317-K321 VanDerWaalsContact NE1-CE 3.33Å; W317-K321 PolarHBondContact O-N 3.47Å; R319-K321 VanDerWaalsContact C-N 3.33Å
322R51.9Low71Confident286 Ų286133.6 Ų133.6100%1.07961%0.614SS**  trans-900168.3-78.1-172.9-177.5-174.70.6109.5

Retrieved 322 of 322 residues in 936.6 ms (Link to these results)

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