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Decapping and exoribonuclease protein

Decapping enzyme for NAD-capped RNAs: specifically hydrolyzes the nicotinamide adenine dinucleotide (NAD) cap from a subset of RNAs by removing the entire NAD moiety from the 5'-end of an NAD-capped RNA1. The NAD-cap is present at the 5'-end of some RNAs and snoRNAs2. In contrast to the canonical 5'-end N7 methylguanosine (m7G) cap, the NAD cap promotes mRNA decay3. Preferentially acts on NAD-capped transcripts in response to environmental stress4. Also acts as a non-canonical decapping enzyme that removes the entire cap structure of m7G capped or incompletely capped RNAs and mediates their subsequent degradation (By similarity). Specifically degrades pre-mRNAs with a defective 5'-end m7G cap and is part of a pre-mRNA capping quality control (By similarity). Has decapping activity toward incomplete 5'-end m7G cap mRNAs such as unmethylated 5'-end-capped RNA (cap0), while it has no activity toward 2'-O-ribose methylated m7G cap (cap1)5. In contrast to canonical decapping enzymes DCP2 and NUDT16, which cleave the cap within the triphosphate linkage, the decapping activity releases the entire cap structure GpppN and a 5'-end monophosphate RNA (By similarity). Also has 5'-3' exoribonuclease activities: The 5'-end monophosphate RNA is then degraded by the 5'-3' exoribonuclease activity, enabling this enzyme to decap and degrade incompletely capped mRNAs6. Also possesses RNA 5'-pyrophosphohydrolase activity by hydrolyzing the 5'-end triphosphate to release pyrophosphates (By similarity). Exhibits decapping activity towards FAD-capped RNAs7. Exhibits decapping activity towards dpCoA-capped RNAs in vitro (By similarity).

AlphaFold DB , UniProt , Accession O77932, Species HUMAN (Homo sapiens, Human), Gene DXO, Length 396 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
1M42.3Very low42.9Very low253 Ų253153.8 Ų153.8100%1.24683%0.831SS**  086.60-70.9-173.8-171.200107.8
2D44.3Very low42.6Very low113 Ų113158.1 Ų158.160%0.60484%0.836SS**  trans-160.8160.1170.5-149.921.1000100.4R4D2-R4 IonicContact OD2-CZ 2.72Å; D2-R4 IonicContact OD2-NE 2.86Å; D2-R4 PolarHBondContact OD2-NE 3.39Å; D2-R4 IonicContact OD2-NH2 3.02Å; D2-R4 PolarHBondContact OD2-NH2 3.13Å
3P49.9Very low42.7Very low103 Ų103155.3 Ų155.367%0.66983%0.829SS**  cis-14815920.235.5-11.2000118.4
4R42.4Very low42.7Very low218 Ų218158.1 Ų158.182%0.82384%0.835SS**  44.8137.8126.3-54170.6-150.9-164.83.4121.9D2D2-R4 IonicContact OD2-CZ 2.72Å; D2-R4 IonicContact OD2-NE 2.86Å; D2-R4 PolarHBondContact OD2-NE 3.39Å; D2-R4 IonicContact OD2-NH2 3.02Å; D2-R4 PolarHBondContact OD2-NH2 3.13Å
5G41.7Very low43Very low68 Ų68156.1 Ų156.170%0.70183%0.831SS**  trans166.657.2150.500000120.2
6T42Very low43.1Very low131 Ų131152.3 Ų152.380%0.80483%0.828SS**  trans44.7124.1132.580000123
7K46Very low43.3Very low186 Ų186153.9 Ų153.981%0.80983%0.828SS**  146129.7109.1-94.3173-178.2178.60114.7
8R42.7Very low43.6Very low248 Ų248152.2 Ų152.294%0.93683%0.827SS**  trans19.4142.5140.6-65.8177.9171.8-175.8-4.1118.4
9G39.8Very low43.6Very low77 Ų77157 Ų15779%0.79483%0.832SS**  cis169.7159.319.100000107.5
10A40.7Very low43.6Very low104 Ų104157.4 Ų157.486%0.8683%0.834SS**  trans-79.6150.6-154.400000117
11E40.5Very low43.7Very low191 Ų191159.4 Ų159.489%0.89384%0.836SS**  trans-143.9113.1147.7-134.7170.4-166.300108
12K39.2Very low43.8Very low205 Ų205155 Ų15589%0.89182%0.817SS**  trans-97.3113.2175.1-85.2-175.4174.8-175.80107.6
13T43.8Very low43.9Very low122 Ų122155.2 Ų155.275%0.74882%0.824SS**  trans-97.3104.8169.1-420000108V15T13-V15 PolarHBondContact O-N 2.88Å
14E41.8Very low44Very low194 Ų194161.7 Ų161.791%0.90784%0.835SS**  trans-69.3112.7166.1-81.8-177.9152.500108.8
15V47.3Very low44.9Very low129 Ų129157.1 Ų157.178%0.78283%0.834SS**  trans-95.4109.1169.2-178.70000107.3T13 E17T13-V15 PolarHBondContact O-N 2.88Å; V15-E17 PolarHBondContact O-N 3.01Å
16A45.3Very low46.5Very low94 Ų94157.6 Ų157.678%0.77783%0.831SS**PPolyproline II helixtrans-68.4124.3175.100000110.8
17E46.9Very low48.7Very low180 Ų180155.5 Ų155.584%0.84182%0.82SS**PPolyproline II helixtrans-66.6140.6172.4-74.7-176.1151.700111.6V15 R19V15-E17 PolarHBondContact O-N 3.01Å; E17-R19 PolarHBondContact O-N 3.16Å
18P47.4Very low51.1Low124 Ų124149.6 Ų149.681%0.80580%0.802SS**PPolyproline II helixtrans-74.5119.7178.327.9-27.1000110.1N20P18-N20 PolarHBondContact O-N 3.41Å
19R45.1Very low53.8Low243 Ų243138.6 Ų138.692%0.91776%0.761SS**  trans-51.9111.9169.8-81.4178.4168.4177.8-3.8110.5E17 K21E17-R19 PolarHBondContact O-N 3.16Å; R19-K21 PolarHBondContact O-N 3.37Å; R19-K21 VanDerWaalsContact O-N 3.08Å
20N42.8Very low56.5Low165 Ų165137.9 Ų137.988%0.88274%0.743SS**  trans-51.5111.5166.9-96.4-22.1000110.1P18 L22P18-N20 PolarHBondContact O-N 3.41Å; N20-L22 PolarHBondContact O-N 3.23Å
21K45.1Very low59.3Low199 Ų199133.5 Ų133.587%0.86571%0.706SS**  trans-71.9115.9167.5-72.6-179.3178.9176.10107.6R19R19-K21 PolarHBondContact O-N 3.37Å; R19-K21 VanDerWaalsContact O-N 3.08Å
22L44.5Very low62Low162 Ų162128.9 Ų128.985%0.84869%0.687SS**PPolyproline II helixtrans-49.1134.4167.8-80.2148.6000109.6N20 R24N20-L22 PolarHBondContact O-N 3.23Å; L22-R24 PolarHBondContact O-N 3.31Å
23P46.7Very low64.8Low117 Ų117120.9 Ų120.976%0.7666%0.656SS**PPolyproline II helixtrans-59.4130.117821.6-29.2000109.6
24R52Low67.4Low238 Ų238118.1 Ų118.190%0.89865%0.646SS**PPolyproline II helixtrans-56.1132.6174.4-77.4179.8174.7177.7-2.6108.5L22 A26L22-R24 PolarHBondContact O-N 3.31Å; R24-A26 PolarHBondContact O-N 3.43Å
25P62.6Low70.1Confident123 Ų123114 Ų11480%0.79963%0.629SS**PPolyproline II helixtrans-57.9138.4175.323.1-30.9000109.5
26A75Confident72.5Confident77 Ų77108.9 Ų108.964%0.63660%0.596SS**PPolyproline II helixtrans-56.7143176.500000110R24 S28R24-A26 PolarHBondContact O-N 3.43Å; A26-S28 PolarHBondContact O-N 2.73Å
27P87.7Confident75Confident88 Ų88108.3 Ų108.357%0.57159%0.586SS**PPolyproline II helixtrans-55.3133.7176.5-22.332.2000111F337P27-F337 HydrophobicContact CB-CE2 3.88Å; P27-F337 HydrophobicContact CB-CZ 4.14Å
28S96.4Very high77.4Confident61 Ų61101.3 Ų101.343%0.42756%0.563SS.*EExtended strand (participates in β ladder)trans-146.2157.9176.7610000110.6A26 V361A26-S28 PolarHBondContact O-N 2.73Å; S28-V361 CarbonylContact C-O 3.59Å; S28-V361 WeakPolarHBondContact CA-O 3.43Å; S28-V361 VanDerWaalsContact CB-O 3.3Å; S28-V361 WeakPolarHBondContact CB-O 3.39Å
29L98.4Very high79.8Confident17 Ų17101 Ų1019%0.08956%0.561CS.*EExtended strand (participates in β ladder)trans-120.6114179.617972.9000110.1Y36 F330 A333 F334 F337 P360 V361L29-Y36 WeakPolarHBondContact CD1-OH 3.3Å; L29-F330 HydrophobicContact CD2-CE2 3.9Å; L29-F330 HydrophobicContact CD2-CZ 4.42Å; L29-F330 HydrophobicContact CG-CE2 4.4Å; L29-A333 HydrophobicContact CD1-CB 4.3Å; L29-F334 HydrophobicContact CD2-CB 3.83Å; L29-F334 HydrophobicContact CD2-CD2 4.15Å; L29-F334 HydrophobicContact CD2-CG 4.48Å; L29-F337 HydrophobicContact CB-CD1 3.79Å; L29-F337 HydrophobicContact CB-CE1 4.02Å; L29-F337 HydrophobicContact CB-CG 4.1Å; L29-F337 HydrophobicContact CD1-CB 4.45Å; L29-F337 HydrophobicContact CD2-CB 4.21Å; L29-F337 HydrophobicContact CD2-CD1 4.24Å; L29-F337 HydrophobicContact CD2-CG 4.46Å; L29-P360 CarbonylContact O-C 3.59Å; L29-P360 VanDerWaalsContact O-CA 3.28Å; L29-P360 WeakPolarHBondContact O-CA 3.37Å; L29-P360 WeakPolarHBondContact O-CB 3.49Å; L29-V361 HydrophobicContact CB-CB 4.11Å; L29-V361 HydrophobicContact CB-CG2 4.35Å; L29-V361 HydrophobicContact CD2-CG2 4.39Å; L29-V361 PolarHBondContact N-O 3.31Å; L29-V361 PolarHBondContact O-N 3.44Å
30P98.3Very high82.4Confident62 Ų6293.6 Ų93.640%0.40354%0.535SS..  trans-67.3153.4177.330.3-36.9000111.6L35 Y36P30-L35 HydrophobicContact CB-CD1 3.53Å; P30-L35 HydrophobicContact CG-CD1 3.5Å; P30-L35 VanDerWaalsContact CG-CD1 3.5Å; P30-Y36 WeakPolarHBondContact O-CE2 3.44Å; P30-Y36 PolarHBondContact O-OH 3.45Å
31T98.6Very high85Confident13 Ų1386.7 Ų86.78%0.0850%0.5CS..  trans-122.31.2-169.251.90000113.3T141 P142 F330 W355 G359 V361T31-T141 HydrophobicContact CG2-CG2 3.79Å; T31-P142 WeakPolarHBondContact O-CA 3.33Å; T31-P142 WeakPolarHBondContact O-CB 3.2Å; T31-F330 HydrophobicContact CG2-CD2 4.44Å; T31-F330 HydrophobicContact CG2-CE2 3.52Å; T31-F330 HydrophobicContact CG2-CZ 3.92Å; T31-W355 PolarHBondContact OG1-NE1 3.26Å; T31-G359 PolarHBondContact OG1-O 3.2Å; T31-V361 HydrophobicContact CG2-CG2 3.86Å
32D98Very high87.6Confident93 Ų9382.1 Ų82.150%0.49748%0.48SS..  trans-58.6124.4179.4-172.4-34.2000111A34 L35 Y36D32-A34 PolarHBondContact O-N 3.37Å; D32-A34 VanDerWaalsContact O-N 3.07Å; D32-A34 WeakPolarHBondContact OD1-CB 3.34Å; D32-A34 PolarHBondContact OD1-N 3.41Å; D32-L35 HydrophobicContact CB-CD1 4.19Å; D32-L35 HydrophobicContact CB-CG 4.27Å; D32-L35 WeakPolarHBondContact O-CB 3.48Å; D32-L35 PolarHBondContact O-N 3.02Å; D32-L35 VanDerWaalsContact O-N 3.1Å; D32-Y36 WeakPolarHBondContact O-CD2 3.26Å
33P98Very high90.2Very high37 Ų3775.7 Ų75.724%0.2445%0.445CS..G310 helixtrans-46.2-35.9174.9-32.837.2000115.4L35 Y36 S37 P142 Y143 V326P33-L35 PolarHBondContact O-N 3.12Å; P33-Y36 PolarHBondContact O-N 2.99Å; P33-Y36 VanDerWaalsContact O-N 3.08Å; P33-S37 PolarHBondContact O-N 3.31Å; P33-P142 HydrophobicContact CB-CB 4.47Å; P33-P142 WeakPolarHBondContact CD-O 3.38Å; P33-P142 HydrophobicContact CG-CB 3.84Å; P33-P142 WeakPolarHBondContact CG-O 3.39Å; P33-Y143 HydrophobicContact CB-CE1 4.19Å; P33-Y143 HydrophobicContact CG-CD1 4.25Å; P33-Y143 HydrophobicContact CG-CE1 4.01Å; P33-V326 HydrophobicContact CB-CG1 3.91Å
34A97.4Very high92.6Very high65 Ų6573.7 Ų73.754%0.53742%0.422SS..G310 helixtrans-59.6-33.3-176.600000112.4D32 Y36 S37D32-A34 PolarHBondContact O-N 3.37Å; D32-A34 VanDerWaalsContact O-N 3.07Å; D32-A34 WeakPolarHBondContact OD1-CB 3.34Å; D32-A34 PolarHBondContact OD1-N 3.41Å; A34-Y36 PolarHBondContact O-N 3.25Å; A34-S37 PolarHBondContact O-OG 3.39Å
35L98.3Very high94.8Very high107 Ų10772 Ų7256%0.5642%0.415SS*.G310 helixtrans-71-16.7-179.5-60.3174.8000113.4P30 D32 P33P30-L35 HydrophobicContact CB-CD1 3.53Å; P30-L35 HydrophobicContact CG-CD1 3.5Å; P30-L35 VanDerWaalsContact CG-CD1 3.5Å; D32-L35 HydrophobicContact CB-CD1 4.19Å; D32-L35 HydrophobicContact CB-CG 4.27Å; D32-L35 WeakPolarHBondContact O-CB 3.48Å; D32-L35 PolarHBondContact O-N 3.02Å; D32-L35 VanDerWaalsContact O-N 3.1Å; P33-L35 PolarHBondContact O-N 3.12Å
36Y98.6Very high96.4Very high21 Ų2166.7 Ų66.78%0.08238%0.381CS..G310 helixtrans-119.313.1-171.9-57.5-70.4000113.1L29 P30 D32 P33 A34 G38 V326 N329 F330 A333L29-Y36 WeakPolarHBondContact CD1-OH 3.3Å; P30-Y36 WeakPolarHBondContact O-CE2 3.44Å; P30-Y36 PolarHBondContact O-OH 3.45Å; D32-Y36 WeakPolarHBondContact O-CD2 3.26Å; P33-Y36 PolarHBondContact O-N 2.99Å; P33-Y36 VanDerWaalsContact O-N 3.08Å; A34-Y36 PolarHBondContact O-N 3.25Å; Y36-G38 PolarHBondContact O-N 2.88Å; Y36-G38 VanDerWaalsContact O-N 3.1Å; Y36-V326 WeakPolarHBondContact O-CA 3.42Å; Y36-N329 HydrophobicContact CD1-CB 4.24Å; Y36-N329 PolarHBondContact O-ND2 2.71Å; Y36-F330 HydrophobicContact CD1-CB 4.19Å; Y36-F330 HydrophobicContact CD2-CB 3.91Å; Y36-F330 HydrophobicContact CD2-CD2 4.2Å; Y36-F330 HydrophobicContact CE1-CB 4.42Å; Y36-F330 HydrophobicContact CE1-CD2 4.4Å; Y36-F330 HydrophobicContact CE2-CB 4.17Å; Y36-F330 AromaticContact CE2-CD2 3.61Å; Y36-F330 HydrophobicContact CE2-CD2 3.61Å; Y36-F330 HydrophobicContact CE2-CG 4.35Å; Y36-F330 HydrophobicContact CG-CB 3.92Å; Y36-F330 AromaticContact CZ-CD2 3.72Å; Y36-A333 HydrophobicContact CD1-CB 4.38Å; Y36-A333 HydrophobicContact CE1-CB 3.57Å
37S97.3Very high97.5Very high82 Ų8264.7 Ų64.757%0.57336%0.363SS*.  trans-73.67.1-175.259.40000115.6P33 A34P33-S37 PolarHBondContact O-N 3.31Å; A34-S37 PolarHBondContact O-OG 3.39Å
38G97.6Very high98Very high34 Ų3462.9 Ų62.935%0.35135%0.347SS..SBendtrans-67.7-175.2178.400000114.6Y36 S325 N329Y36-G38 PolarHBondContact O-N 2.88Å; Y36-G38 VanDerWaalsContact O-N 3.1Å; G38-S325 WeakPolarHBondContact O-CB 3.31Å; G38-N329 PolarHBondContact O-ND2 2.85Å
39P98.3Very high98.1Very high117 Ų11761.7 Ų61.776%0.7634%0.335SS*.SBendtrans-55154.2176.8-24.134.3000112.6N329P39-N329 PolarHBondContact O-ND2 2.83Å; P39-N329 PolarHBondContact O-OD1 3.07Å
40F98.5Very high98Very high87 Ų8761.7 Ų61.738%0.38234%0.339SS..PPolyproline II helixtrans-62.2124.7175-168.6-90.4000109.4F282 P324 S325 M328F40-F282 HydrophobicContact CE1-CZ 4.21Å; F40-F282 AromaticContact CZ-CE1 3.93Å; F40-F282 HydrophobicContact CZ-CE1 3.93Å; F40-F282 HydrophobicContact CZ-CE2 4.43Å; F40-F282 AromaticContact CZ-CZ 3.55Å; F40-F282 HydrophobicContact CZ-CZ 3.55Å; F40-P324 HydrophobicContact CD2-CB 4.09Å; F40-P324 HydrophobicContact CE2-CB 3.81Å; F40-S325 WeakPolarHBondContact CA-OG 3.36Å; F40-S325 WeakPolarHBondContact CB-OG 3.28Å; F40-S325 PolarHBondContact N-OG 2.7Å; F40-M328 HydrophobicContact CD2-CG 4.45Å; F40-M328 HydrophobicContact CE2-CB 4.21Å; F40-M328 HydrophobicContact CE2-CG 3.52Å; F40-M328 HydrophobicContact CZ-CB 4.38Å; F40-M328 HydrophobicContact CZ-CG 3.6Å
41P98.6Very high98.1Very high21 Ų2160 Ų6014%0.13633%0.329CS..PPolyproline II helixtrans-72.6161.6-176.131.4-34.6000110.7Y43 L224 M328 N329P41-Y43 PolarHBondContact O-N 3.48Å; P41-L224 HydrophobicContact CB-CD1 4.27Å; P41-L224 HydrophobicContact CG-CD1 3.86Å; P41-M328 HydrophobicContact CG-CB 3.48Å; P41-M328 VanDerWaalsContact CG-CB 3.48Å; P41-N329 WeakPolarHBondContact CB-OD1 3.28Å; P41-N329 VanDerWaalsContact CD-OD1 3.3Å; P41-N329 WeakPolarHBondContact CD-OD1 3.36Å; P41-N329 WeakPolarHBondContact CG-OD1 3.44Å
42F98.6Very high98.1Very high102 Ų10259.4 Ų59.445%0.44733%0.325SS..PPolyproline II helixtrans-58.9125.1171.9174.5-93.1000110.3R44 R223 G225F42-R44 HydrophobicContact CE1-CB 3.81Å; F42-R44 HydrophobicContact CZ-CB 3.87Å; F42-R44 HydrophobicContact CZ-CG 4.41Å; F42-R223 HydrophobicContact CE1-CB 4.38Å; F42-R223 HydrophobicContact CE1-CG 4.32Å; F42-R223 VanDerWaalsContact CE1-NH2 3.25Å; F42-G225 PolarHBondContact O-N 2.66Å
43Y98.7Very high98.1Very high27 Ų2755 Ų5511%0.10630%0.301CS..BIsolated β-bridgetrans-127.1116.7167.8-170-116.7000108.6P41 R45 P46 S222 R223 L224 L229 F282 L283 M328P41-Y43 PolarHBondContact O-N 3.48Å; Y43-R45 PolarHBondContact O-N 3.29Å; Y43-P46 HydrophobicContact CE1-CG 4.06Å; Y43-S222 WeakPolarHBondContact CE2-OG 3.41Å; Y43-S222 VanDerWaalsContact CZ-OG 3.3Å; Y43-R223 CarbonylContact C-O 3.59Å; Y43-R223 WeakPolarHBondContact CA-O 3.33Å; Y43-L224 HydrophobicContact CD2-CB 3.96Å; Y43-L224 HydrophobicContact CD2-CD1 4.14Å; Y43-L224 HydrophobicContact CE2-CB 4.27Å; Y43-L229 HydrophobicContact CE2-CD1 4.16Å; Y43-F282 HydrophobicContact CD1-CD1 4.46Å; Y43-F282 AromaticContact CD1-CE1 3.54Å; Y43-F282 HydrophobicContact CD1-CE1 3.54Å; Y43-F282 AromaticContact CD1-CZ 3.78Å; Y43-F282 HydrophobicContact CD1-CZ 3.78Å; Y43-F282 HydrophobicContact CE1-CD1 4.39Å; Y43-F282 AromaticContact CE1-CE1 3.88Å; Y43-F282 HydrophobicContact CE1-CE1 3.88Å; Y43-F282 HydrophobicContact CE1-CZ 4.41Å; Y43-F282 HydrophobicContact CG-CE1 4.18Å; Y43-F282 HydrophobicContact CG-CZ 4.5Å; Y43-L283 HydrophobicContact CE2-CD2 4.46Å; Y43-L283 WeakPolarHBondContact OH-CA 3.32Å; Y43-L283 PolarHBondContact OH-O 3.03Å; Y43-M328 HydrophobicContact CD1-CE 4.37Å; Y43-M328 HydrophobicContact CD2-CE 3.55Å; Y43-M328 HydrophobicContact CE2-CE 3.97Å; Y43-M328 HydrophobicContact CG-CE 3.78Å
44R98.3Very high98.1Very high76 Ų7653.3 Ų53.329%0.28729%0.29SS..PPolyproline II helixtrans-62.7138178.9-172.3-176.4-179-92.13.4108.6F42 P46 S47 S222 R223F42-R44 HydrophobicContact CE1-CB 3.81Å; F42-R44 HydrophobicContact CZ-CB 3.87Å; F42-R44 HydrophobicContact CZ-CG 4.41Å; R44-P46 VanDerWaalsContact O-CD 3.32Å; R44-P46 WeakPolarHBondContact O-CD 3.48Å; R44-P46 VanDerWaalsContact O-N 3.14Å; R44-S47 PolarHBondContact NH1-OG 3.02Å; R44-S222 PolarHBondContact O-OG 3.42Å; R44-R223 HydrophobicContact CB-CB 4.02Å; R44-R223 PolarHBondContact N-O 3.41Å
45R96.8Very high98.2Very high201 Ų20151.9 Ų51.976%0.75827%0.274SS*.PPolyproline II helixtrans-54.2122.1168.4-174.1174.469.2162.62.7108.9Y43Y43-R45 PolarHBondContact O-N 3.29Å
46P97.9Very high98.2Very high13 Ų1348.4 Ų48.48%0.08426%0.261CS..PPolyproline II helixtrans-58.1145.6179.7-24.834.5000111.5Y43 R44 L220 R221 L283Y43-P46 HydrophobicContact CE1-CG 4.06Å; R44-P46 VanDerWaalsContact O-CD 3.32Å; R44-P46 WeakPolarHBondContact O-CD 3.48Å; R44-P46 VanDerWaalsContact O-N 3.14Å; P46-L220 HydrophobicContact CB-CD2 3.86Å; P46-R221 WeakPolarHBondContact CA-O 3.26Å; P46-L283 WeakPolarHBondContact CG-O 3.28Å
47S97.2Very high98.2Very high35 Ų3553.7 Ų53.725%0.24529%0.286CS..EExtended strand (participates in β ladder)trans-127.3127.6172.9-50.20000107.6R44 L49 L220 R221R44-S47 PolarHBondContact NH1-OG 3.02Å; S47-L49 PolarHBondContact O-N 3.5Å; S47-L220 WeakPolarHBondContact O-CA 3.47Å; S47-R221 PolarHBondContact N-O 3.19Å; S47-R221 PolarHBondContact O-N 3.24Å
48E98.2Very high98.2Very high50 Ų5051.9 Ų51.923%0.23427%0.266CS..EExtended strand (participates in β ladder)trans-69.9127173.6-175.3174.188.200109.3G50 S218 V219 P247 Y251E48-G50 VanDerWaalsContact CG-O 3.28Å; E48-G50 WeakPolarHBondContact CG-O 3.32Å; E48-S218 VanDerWaalsContact OE2-CB 3.28Å; E48-S218 WeakPolarHBondContact OE2-CB 3.41Å; E48-S218 PolarHBondContact OE2-OG 3.45Å; E48-V219 CarbonylContact C-O 3.5Å; E48-V219 WeakPolarHBondContact CA-O 3.28Å; E48-P247 HydrophobicContact CB-CB 4.07Å; E48-P247 VanDerWaalsContact CD-CB 3.47Å; E48-P247 HydrophobicContact CG-CB 4.41Å; E48-P247 WeakPolarHBondContact OE1-CB 3.48Å; E48-P247 WeakPolarHBondContact OE1-CG 3.27Å; E48-Y251 PolarHBondContact OE1-OH 3.43Å; E48-Y251 VanDerWaalsContact OE2-CE2 3.24Å; E48-Y251 WeakPolarHBondContact OE2-CE2 3.49Å; E48-Y251 PolarHBondContact OE2-OH 3.05Å
49L97.4Very high98.3Very high36 Ų3655.8 Ų55.819%0.18828%0.276CS..EExtended strand (participates in β ladder)trans-91.1-22.6174.3-62.2-178000112S47 W109 L117 E118 V219 R221 L230S47-L49 PolarHBondContact O-N 3.5Å; L49-W109 HydrophobicContact CB-CH2 3.66Å; L49-W109 HydrophobicContact CB-CZ2 4.01Å; L49-W109 HydrophobicContact CD1-CH2 4.16Å; L49-L117 HydrophobicContact CD1-CD2 4.17Å; L49-E118 HydrophobicContact CD2-CB 4.46Å; L49-E118 HydrophobicContact CD2-CG 4.3Å; L49-V219 PolarHBondContact N-O 3.18Å; L49-R221 HydrophobicContact CD1-CB 3.9Å; L49-R221 HydrophobicContact CD2-CB 3.79Å; L49-R221 HydrophobicContact CG-CB 3.77Å; L49-L230 HydrophobicContact CD1-CD1 3.98Å; L49-L230 HydrophobicContact CD1-CG 4.47Å
50G98Very high98.3Very high17 Ų1752.2 Ų52.218%0.17525%0.247CC..EExtended strand (participates in β ladder)trans166.3-167.2-178.900000110.9E48 V219E48-G50 VanDerWaalsContact CG-O 3.28Å; E48-G50 WeakPolarHBondContact CG-O 3.32Å; G50-V219 PolarHBondContact O-N 3.19Å
51C98.7Very high98.3Very high27 Ų2750.1 Ų50.118%0.18224%0.239CC..EExtended strand (participates in β ladder)trans-149.7171.7179.860.30000111.1W109 F216 C217C51-W109 PolarHBondContact O-NE1 2.61Å; C51-F216 HydrophobicContact CB-CE2 3.49Å; C51-F216 VanDerWaalsContact CB-CE2 3.49Å; C51-F216 HydrophobicContact CB-CZ 3.66Å; C51-C217 CarbonylContact C-O 3.55Å; C51-C217 WeakPolarHBondContact CA-O 3.33Å; C51-C217 VanDerWaalsContact CB-O 3.24Å; C51-C217 WeakPolarHBondContact CB-O 3.33Å
52F98.9Very high98.3Very high0 Ų051.3 Ų51.30%026%0.255CS..EExtended strand (participates in β ladder)trans-151.5163.6165.858.9-91.1000109.9Y60 H61 D63 H105 W109 W131 C217 V219 S232F52-Y60 HydrophobicContact CB-CD2 4.16Å; F52-Y60 HydrophobicContact CB-CE2 3.41Å; F52-Y60 VanDerWaalsContact CB-CE2 3.41Å; F52-Y60 AromaticContact CD1-CE2 3.99Å; F52-Y60 HydrophobicContact CD1-CE2 3.99Å; F52-Y60 AromaticContact CD2-CD2 3.8Å; F52-Y60 HydrophobicContact CD2-CD2 3.8Å; F52-Y60 AromaticContact CD2-CE2 3.6Å; F52-Y60 HydrophobicContact CD2-CE2 3.6Å; F52-Y60 HydrophobicContact CE2-CD2 4.44Å; F52-Y60 HydrophobicContact CE2-CE2 4.33Å; F52-Y60 HydrophobicContact CG-CD2 4.08Å; F52-Y60 AromaticContact CG-CE2 3.4Å; F52-Y60 HydrophobicContact CG-CE2 3.4Å; F52-H61 CarbonylContact C-O 3.57Å; F52-H61 WeakPolarHBondContact CA-O 3.39Å; F52-H61 WeakPolarHBondContact CB-O 3.44Å; F52-D63 CarbonylContact C-O 3.51Å; F52-D63 VanDerWaalsContact C-O 3.23Å; F52-D63 WeakPolarHBondContact CA-O 3.39Å; F52-H105 HydrophobicContact CE2-CB 3.87Å; F52-H105 HydrophobicContact CZ-CB 4.2Å; F52-W109 HydrophobicContact CD1-CB 3.94Å; F52-W109 AromaticContact CD1-CD1 3.78Å; F52-W109 HydrophobicContact CD1-CG 4.01Å; F52-W109 HydrophobicContact CE1-CB 4.25Å; F52-W131 HydrophobicContact CE2-CH2 4.26Å; F52-W131 AromaticContact CZ-CH2 3.63Å; F52-W131 HydrophobicContact CZ-CH2 3.63Å; F52-W131 HydrophobicContact CZ-CZ3 4.05Å; F52-C217 HydrophobicContact CD1-CB 4.19Å; F52-C217 HydrophobicContact CD2-CB 3.93Å; F52-C217 HydrophobicContact CE1-CB 3.79Å; F52-C217 HydrophobicContact CE2-CB 3.49Å; F52-C217 VanDerWaalsContact CE2-CB 3.49Å; F52-C217 HydrophobicContact CG-CB 4.26Å; F52-C217 HydrophobicContact CZ-CB 3.41Å; F52-C217 VanDerWaalsContact CZ-CB 3.41Å; F52-C217 PolarHBondContact N-O 3.07Å; F52-C217 PolarHBondContact O-N 3.5Å; F52-V219 HydrophobicContact CD1-CG2 3.83Å; F52-V219 HydrophobicContact CE1-CG2 3.68Å; F52-S232 WeakPolarHBondContact CE1-OG 3.18Å
53S98.9Very high98.3Very high0 Ų049.2 Ų49.20%025%0.248CC..EExtended strand (participates in β ladder)trans-121.5148.8179-62.50000110.7H61 D63 R65 A66 A215S53-H61 PolarHBondContact N-O 2.84Å; S53-H61 PolarHBondContact O-N 2.9Å; S53-D63 WeakPolarHBondContact CB-O 3.46Å; S53-D63 PolarHBondContact N-O 2.92Å; S53-D63 VanDerWaalsContact N-O 3.1Å; S53-D63 PolarHBondContact OG-O 2.88Å; S53-R65 PolarHBondContact OG-N 3.22Å; S53-R65 VanDerWaalsContact OG-N 3.14Å; S53-A66 PolarHBondContact OG-N 2.92Å; S53-A215 CarbonylContact C-O 3.6Å; S53-A215 WeakPolarHBondContact CA-O 3.42Å
54L98.8Very high98.3Very high2 Ų250 Ų501%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-111.6131.3165.6-59.4172.3000107.4R58 Q59 H105 N213 V214 A215L54-R58 VanDerWaalsContact CD1-NH1 3.31Å; L54-Q59 WeakPolarHBondContact CA-O 3.42Å; L54-H105 WeakPolarHBondContact CD1-ND1 3.39Å; L54-N213 WeakPolarHBondContact CB-O 3.29Å; L54-V214 VanDerWaalsContact O-CA 3.27Å; L54-V214 WeakPolarHBondContact O-CA 3.22Å; L54-A215 HydrophobicContact CB-CB 4.33Å; L54-A215 HydrophobicContact CD1-CB 4.37Å; L54-A215 PolarHBondContact N-O 3.39Å; L54-A215 PolarHBondContact O-N 3.39Å
55D98.6Very high98.3Very high34 Ų3453.3 Ų53.318%0.18227%0.273CS..  trans-88.5-173.5-178.96917.7000113Q57 R58 Q59 H61 N213D55-Q57 PolarHBondContact O-N 3.31Å; D55-Q57 VanDerWaalsContact O-N 3.14Å; D55-Q57 VanDerWaalsContact OD1-C 3.31Å; D55-Q57 WeakPolarHBondContact OD1-CA 3.49Å; D55-Q57 PolarHBondContact OD1-N 3.27Å; D55-R58 PolarHBondContact O-N 3.37Å; D55-R58 PolarHBondContact OD1-N 2.81Å; D55-R58 VanDerWaalsContact OD1-N 3.14Å; D55-Q59 PolarHBondContact N-O 2.86Å; D55-Q59 VanDerWaalsContact N-O 3.12Å; D55-Q59 PolarHBondContact OD1-N 2.85Å; D55-Q59 WeakPolarHBondContact OD2-CB 3.48Å; D55-H61 IonicContact OD2-CD2 3.51Å; D55-H61 IonicContact OD2-CE1 3.49Å; D55-H61 IonicContact OD2-NE2 2.66Å; D55-H61 PolarHBondContact OD2-NE2 2.97Å; D55-N213 CarbonylContact O-C 3.49Å
56A98.3Very high98.4Very high35 Ų3544.5 Ų44.529%0.28924%0.243SC..THydrogen-bonded Turntrans-61.8-19.7-179.200000113.7N211 V214A56-N211 WeakPolarHBondContact CB-ND2 3.3Å; A56-N211 PolarHBondContact O-ND2 2.94Å; A56-V214 HydrophobicContact CB-CG2 4.16Å
57Q98.4Very high98.4Very high131 Ų13145.1 Ų45.161%0.61225%0.245SC*.THydrogen-bonded Turntrans-104.415.4176.3-66.972.241.700111.8D55 Q59D55-Q57 PolarHBondContact O-N 3.31Å; D55-Q57 VanDerWaalsContact O-N 3.14Å; D55-Q57 VanDerWaalsContact OD1-C 3.31Å; D55-Q57 WeakPolarHBondContact OD1-CA 3.49Å; D55-Q57 PolarHBondContact OD1-N 3.27Å; Q57-Q59 HydrophobicContact CB-CG 4.14Å; Q57-Q59 PolarHBondContact O-N 2.85Å; Q57-Q59 PolarHBondContact O-NE2 2.87Å
58R98.3Very high98.5Very high44 Ų4446.1 Ų46.117%0.16624%0.244CC..  trans60.622.6-178.7-15760.2175.81760.3113.8L54 D55 E101 N213L54-R58 VanDerWaalsContact CD1-NH1 3.31Å; D55-R58 PolarHBondContact O-N 3.37Å; D55-R58 PolarHBondContact OD1-N 2.81Å; D55-R58 VanDerWaalsContact OD1-N 3.14Å; R58-E101 WeakPolarHBondContact CG-OE1 3.4Å; R58-E101 IonicContact CZ-OE1 3.71Å; R58-E101 IonicContact CZ-OE2 2.8Å; R58-E101 IonicContact NE-OE1 3.74Å; R58-E101 PolarHBondContact NE-OE1 2.97Å; R58-E101 IonicContact NE-OE2 3.68Å; R58-E101 PolarHBondContact NE-OE2 3.03Å; R58-E101 IonicContact NH2-OE1 2.77Å; R58-E101 IonicContact NH2-OE2 2.78Å; R58-E101 PolarHBondContact NH2-OE2 3.42Å; R58-N213 HydrophobicContact CB-CB 4.07Å; R58-N213 VanDerWaalsContact CD-O 3.26Å; R58-N213 WeakPolarHBondContact CD-O 3.34Å; R58-N213 PolarHBondContact NH1-O 3.36Å
59Q98.6Very high98.5Very high117 Ų11746.6 Ų46.655%0.54724%0.244SC..  trans-82.2140177.9-54.4-58.5-64.900111L54 D55 Q57 H61L54-Q59 WeakPolarHBondContact CA-O 3.42Å; D55-Q59 PolarHBondContact N-O 2.86Å; D55-Q59 VanDerWaalsContact N-O 3.12Å; D55-Q59 PolarHBondContact OD1-N 2.85Å; D55-Q59 WeakPolarHBondContact OD2-CB 3.48Å; Q57-Q59 HydrophobicContact CB-CG 4.14Å; Q57-Q59 PolarHBondContact O-N 2.85Å; Q57-Q59 PolarHBondContact O-NE2 2.87Å; Q59-H61 PolarHBondContact O-CD2 2.97Å
60Y98.7Very high98.5Very high42 Ų4246.6 Ų46.617%0.16524%0.242CC..EExtended strand (participates in β ladder)trans-75.8134.1178.9176.4-81.6000112.2F52 H105 C108 W109 E112F52-Y60 HydrophobicContact CB-CD2 4.16Å; F52-Y60 HydrophobicContact CB-CE2 3.41Å; F52-Y60 VanDerWaalsContact CB-CE2 3.41Å; F52-Y60 AromaticContact CD1-CE2 3.99Å; F52-Y60 HydrophobicContact CD1-CE2 3.99Å; F52-Y60 AromaticContact CD2-CD2 3.8Å; F52-Y60 HydrophobicContact CD2-CD2 3.8Å; F52-Y60 AromaticContact CD2-CE2 3.6Å; F52-Y60 HydrophobicContact CD2-CE2 3.6Å; F52-Y60 HydrophobicContact CE2-CD2 4.44Å; F52-Y60 HydrophobicContact CE2-CE2 4.33Å; F52-Y60 HydrophobicContact CG-CD2 4.08Å; F52-Y60 AromaticContact CG-CE2 3.4Å; F52-Y60 HydrophobicContact CG-CE2 3.4Å; Y60-H105 HydrophobicContact CD2-CB 4.2Å; Y60-H105 WeakPolarHBondContact CE2-O 3.36Å; Y60-C108 HydrophobicContact CD2-CB 4.34Å; Y60-C108 HydrophobicContact CE1-CB 4.47Å; Y60-C108 HydrophobicContact CE2-CB 4.17Å; Y60-W109 HydrophobicContact CE2-CB 4.29Å; Y60-W109 WeakPolarHBondContact OH-CA 3.2Å; Y60-W109 WeakPolarHBondContact OH-CB 3.04Å; Y60-W109 PolarHBondContact OH-N 2.93Å; Y60-E112 WeakPolarHBondContact CE1-OE1 3.27Å; Y60-E112 WeakPolarHBondContact CE1-OE2 3.36Å; Y60-E112 PolarHBondContact OH-OE2 3.06Å
61H98.7Very high98.5Very high42 Ų4246.9 Ų46.919%0.19424%0.241CC..EExtended strand (participates in β ladder)trans-134.6125.3170.8-57.6-84.5000109.7F52 S53 D55 Q59 D63 R65F52-H61 CarbonylContact C-O 3.57Å; F52-H61 WeakPolarHBondContact CA-O 3.39Å; F52-H61 WeakPolarHBondContact CB-O 3.44Å; S53-H61 PolarHBondContact N-O 2.84Å; S53-H61 PolarHBondContact O-N 2.9Å; D55-H61 IonicContact OD2-CD2 3.51Å; D55-H61 IonicContact OD2-CE1 3.49Å; D55-H61 IonicContact OD2-NE2 2.66Å; D55-H61 PolarHBondContact OD2-NE2 2.97Å; Q59-H61 PolarHBondContact O-CD2 2.97Å; H61-D63 PolarHBondContact O-N 2.95Å; H61-R65 PolarHBondContact CE1-NH1 3.45Å; H61-R65 VanDerWaalsContact CG-NH1 3.31Å; H61-R65 PolarHBondContact ND1-NH1 2.81Å; H61-R65 PolarHBondContact ND1-NH2 2.77Å
62G98.3Very high98.4Very high47 Ų4748.2 Ų48.249%0.48525%0.249SC..SBendtrans-73.947.2179.600000114.4
63D98.6Very high98.2Very high57 Ų5749.9 Ų49.931%0.30526%0.26SS..SBendtrans-149.5-176.2178.864.339.6000112.4F52 S53 H61 R65F52-D63 CarbonylContact C-O 3.51Å; F52-D63 VanDerWaalsContact C-O 3.23Å; F52-D63 WeakPolarHBondContact CA-O 3.39Å; S53-D63 WeakPolarHBondContact CB-O 3.46Å; S53-D63 PolarHBondContact N-O 2.92Å; S53-D63 VanDerWaalsContact N-O 3.1Å; S53-D63 PolarHBondContact OG-O 2.88Å; H61-D63 PolarHBondContact O-N 2.95Å; D63-R65 VanDerWaalsContact OD1-CB 3.31Å; D63-R65 WeakPolarHBondContact OD1-CB 3.5Å; D63-R65 WeakPolarHBondContact OD1-CG 3.31Å; D63-R65 IonicContact OD1-CZ 2.77Å; D63-R65 PolarHBondContact OD1-N 3.37Å; D63-R65 IonicContact OD1-NE 2.78Å; D63-R65 PolarHBondContact OD1-NE 3.26Å; D63-R65 IonicContact OD1-NH2 3.3Å; D63-R65 IonicContact OD2-CZ 3.48Å; D63-R65 VanDerWaalsContact OD2-CZ 3.3Å; D63-R65 IonicContact OD2-NE 2.67Å; D63-R65 PolarHBondContact OD2-NE 3.09Å; D63-R65 VanDerWaalsContact OD2-NE 3.12Å; D63-R65 IonicContact OD2-NH2 3.09Å; D63-R65 PolarHBondContact OD2-NH2 2.92Å
64A98.5Very high97.9Very high43 Ų4354.8 Ų54.836%0.35529%0.292SS..SBendtrans-99.924.1-176.200000114.2A66 L67 F216A64-A66 PolarHBondContact O-N 2.8Å; A64-A66 VanDerWaalsContact O-N 3.13Å; A64-L67 HydrophobicContact CB-CB 4.25Å; A64-L67 VanDerWaalsContact O-CB 3.29Å; A64-L67 WeakPolarHBondContact O-CB 3.28Å; A64-L67 PolarHBondContact O-N 2.94Å; A64-F216 HydrophobicContact CB-CD2 4.22Å; A64-F216 HydrophobicContact CB-CE2 3.6Å; A64-F216 HydrophobicContact CB-CZ 4.45Å
65R98.5Very high97.3Very high146 Ų14661.5 Ų61.555%0.55133%0.333SS*.THydrogen-bonded Turntrans-60.2-24.2-17670.4-175.964.1-177.43.4114.9S53 H61 D63S53-R65 PolarHBondContact OG-N 3.22Å; S53-R65 VanDerWaalsContact OG-N 3.14Å; H61-R65 PolarHBondContact CE1-NH1 3.45Å; H61-R65 VanDerWaalsContact CG-NH1 3.31Å; H61-R65 PolarHBondContact ND1-NH1 2.81Å; H61-R65 PolarHBondContact ND1-NH2 2.77Å; D63-R65 VanDerWaalsContact OD1-CB 3.31Å; D63-R65 WeakPolarHBondContact OD1-CB 3.5Å; D63-R65 WeakPolarHBondContact OD1-CG 3.31Å; D63-R65 IonicContact OD1-CZ 2.77Å; D63-R65 PolarHBondContact OD1-N 3.37Å; D63-R65 IonicContact OD1-NE 2.78Å; D63-R65 PolarHBondContact OD1-NE 3.26Å; D63-R65 IonicContact OD1-NH2 3.3Å; D63-R65 IonicContact OD2-CZ 3.48Å; D63-R65 VanDerWaalsContact OD2-CZ 3.3Å; D63-R65 IonicContact OD2-NE 2.67Å; D63-R65 PolarHBondContact OD2-NE 3.09Å; D63-R65 VanDerWaalsContact OD2-NE 3.12Å; D63-R65 IonicContact OD2-NH2 3.09Å; D63-R65 PolarHBondContact OD2-NH2 2.92Å
66A98.5Very high96.8Very high16 Ų1667.8 Ų67.813%0.13237%0.367CS..THydrogen-bonded Turntrans-90.5-2.7177.400000113.4S53 A64 R68 V214 A215 F216S53-A66 PolarHBondContact OG-N 2.92Å; A64-A66 PolarHBondContact O-N 2.8Å; A64-A66 VanDerWaalsContact O-N 3.13Å; A66-R68 PolarHBondContact O-N 2.94Å; A66-V214 HydrophobicContact CB-CG1 3.95Å; A66-A215 VanDerWaalsContact CB-O 3.31Å; A66-A215 WeakPolarHBondContact CB-O 3.41Å; A66-F216 HydrophobicContact CB-CB 4.05Å
67L98.6Very high96.3Very high26 Ų2667.8 Ų67.814%0.13637%0.37CS..  trans-69.2123.7178.1177.360.7000110A64 F216 T238 Y251A64-L67 HydrophobicContact CB-CB 4.25Å; A64-L67 VanDerWaalsContact O-CB 3.29Å; A64-L67 WeakPolarHBondContact O-CB 3.28Å; A64-L67 PolarHBondContact O-N 2.94Å; L67-F216 HydrophobicContact CB-CB 4.44Å; L67-F216 HydrophobicContact CB-CD1 4.15Å; L67-F216 HydrophobicContact CB-CD2 3.8Å; L67-F216 HydrophobicContact CB-CE1 4.4Å; L67-F216 HydrophobicContact CB-CE2 4.03Å; L67-F216 HydrophobicContact CB-CG 3.85Å; L67-F216 HydrophobicContact CB-CZ 4.33Å; L67-F216 HydrophobicContact CD1-CD1 3.59Å; L67-F216 HydrophobicContact CD1-CE1 3.68Å; L67-F216 HydrophobicContact CD1-CG 4.16Å; L67-F216 HydrophobicContact CD1-CZ 4.27Å; L67-F216 HydrophobicContact CD2-CE1 4.45Å; L67-F216 HydrophobicContact CD2-CZ 4.27Å; L67-F216 HydrophobicContact CG-CD1 4.39Å; L67-F216 HydrophobicContact CG-CE1 4.39Å; L67-T238 HydrophobicContact CD1-CG2 4.06Å; L67-T238 HydrophobicContact CD2-CG2 3.87Å; L67-T238 HydrophobicContact CG-CG2 4.04Å; L67-Y251 HydrophobicContact CD1-CE1 4.35Å
68R98.6Very high95.9Very high57 Ų5767.2 Ų67.222%0.21538%0.378CS..  trans-102.2164.6173.3-61178.9-64.9177.1-4.9111.6A66 E192 C196 C237 T238A66-R68 PolarHBondContact O-N 2.94Å; R68-E192 IonicContact CZ-OE2 2.69Å; R68-E192 IonicContact NH2-OE2 2.97Å; R68-E192 PolarHBondContact NH2-OE2 3.2Å; R68-C196 HydrophobicContact CB-CB 3.83Å; R68-C237 CarbonylContact O-C 3.55Å; R68-C237 WeakPolarHBondContact O-CA 3.47Å; R68-C237 VanDerWaalsContact O-CB 3.3Å; R68-C237 WeakPolarHBondContact O-CB 3.46Å; R68-T238 PolarHBondContact O-N 3.28Å
69Y98.6Very high95.6Very high60 Ų6067.8 Ų67.824%0.23540%0.398CS..EExtended strand (participates in β ladder)trans-112.6129.7-175.2-58.6-86.6000110.9S71 C196 A197 D198 K199 P200 T238 P240Y69-S71 PolarHBondContact O-N 2.82Å; Y69-C196 CarbonylContact O-C 3.58Å; Y69-C196 VanDerWaalsContact O-CA 3.29Å; Y69-C196 WeakPolarHBondContact O-CA 3.13Å; Y69-A197 PolarHBondContact N-O 3.07Å; Y69-A197 PolarHBondContact O-N 3.14Å; Y69-D198 WeakPolarHBondContact CE2-O 3.33Å; Y69-K199 VanDerWaalsContact CD2-C 3.4Å; Y69-P200 HydrophobicContact CD1-CB 4.19Å; Y69-P200 HydrophobicContact CD1-CG 3.79Å; Y69-P200 HydrophobicContact CD2-CG 4.29Å; Y69-P200 HydrophobicContact CE1-CB 4.42Å; Y69-P200 HydrophobicContact CE1-CG 3.57Å; Y69-P200 HydrophobicContact CE2-CG 4.11Å; Y69-P200 HydrophobicContact CG-CB 4.44Å; Y69-P200 HydrophobicContact CG-CG 4.14Å; Y69-T238 CarbonylContact C-O 3.57Å; Y69-T238 WeakPolarHBondContact CA-O 3.46Å; Y69-T238 HydrophobicContact CD1-CG2 3.41Å; Y69-T238 VanDerWaalsContact CD1-CG2 3.41Å; Y69-T238 HydrophobicContact CE1-CG2 3.59Å; Y69-T238 HydrophobicContact CG-CG2 4.34Å; Y69-P240 HydrophobicContact CD1-CG 3.9Å; Y69-P240 HydrophobicContact CG-CG 4.47Å
70Y98.5Very high95.4Very high36 Ų3663.4 Ų63.414%0.14138%0.379CS..EExtended strand (participates in β ladder)trans-58120.9176.2-176.4-119.6000110P72 M195 T238 D239 V252 L254 V290Y70-P72 HydrophobicContact CD1-CG 4.2Å; Y70-P72 HydrophobicContact CE1-CB 4.09Å; Y70-P72 HydrophobicContact CE1-CG 3.6Å; Y70-P72 HydrophobicContact CE2-CB 4.37Å; Y70-M195 HydrophobicContact CD2-CE 4.45Å; Y70-M195 HydrophobicContact CE2-CE 3.48Å; Y70-M195 VanDerWaalsContact CE2-CE 3.48Å; Y70-T238 PolarHBondContact N-O 3.48Å; Y70-D239 HydrophobicContact CD1-CB 4.18Å; Y70-V252 HydrophobicContact CD2-CG1 4.33Å; Y70-V252 HydrophobicContact CE2-CG1 4.44Å; Y70-L254 HydrophobicContact CD2-CD2 4.18Å; Y70-L254 HydrophobicContact CE2-CD2 4.06Å; Y70-V290 HydrophobicContact CE2-CB 4.41Å; Y70-V290 HydrophobicContact CE2-CG1 4.32Å; Y70-V290 HydrophobicContact CE2-CG2 4.1Å
71S97.7Very high95.4Very high23 Ų2366.8 Ų66.816%0.16140%0.4CS..  trans-138.776.3-176.6-1640000109.3Y69 M195 S202 P204Y69-S71 PolarHBondContact O-N 2.82Å; S71-M195 PolarHBondContact N-O 2.96Å; S71-S202 PolarHBondContact OG-O 3.3Å; S71-P204 WeakPolarHBondContact O-CG 3.47Å
72P96.7Very high95.4Very high54 Ų5466 Ų6635%0.35140%0.396SS..PPolyproline II helixtrans-69.4166.6-179.630.8-36.1000111.9Y70 M195Y70-P72 HydrophobicContact CD1-CG 4.2Å; Y70-P72 HydrophobicContact CE1-CB 4.09Å; Y70-P72 HydrophobicContact CE1-CG 3.6Å; Y70-P72 HydrophobicContact CE2-CB 4.37Å; P72-M195 HydrophobicContact CB-CE 3.88Å
73P94.9Very high95.4Very high36 Ų3666 Ų6623%0.23439%0.385CS..PPolyproline II helixtrans-49.5140.7171.9-29.335.8000112.8T75 P80 F82 L303P73-T75 PolarHBondContact O-N 3.39Å; P73-P80 HydrophobicContact CG-CB 4.23Å; P73-F82 HydrophobicContact CG-CE1 4.26Å; P73-F82 HydrophobicContact CG-CE2 4.43Å; P73-F82 HydrophobicContact CG-CZ 3.55Å; P73-L303 HydrophobicContact CG-CD1 4.04Å
74P91.2Very high95.4Very high103 Ų10363.3 Ų63.367%0.66937%0.371SS*.PPolyproline II helixtrans-56.3137.5176.4-24.433.4000111.8N76 G77P74-N76 PolarHBondContact O-N 2.81Å; P74-G77 PolarHBondContact O-N 2.74Å
75T86.9Confident95.4Very high143 Ų14365.8 Ų65.888%0.87737%0.371SS*.THydrogen-bonded Turntrans-55.6-31.8-175.9-46.50000113.9P73P73-T75 PolarHBondContact O-N 3.39Å
76N88.5Confident95.4Very high165 Ų16561.5 Ų61.588%0.88236%0.359SS*.THydrogen-bonded Turntrans-104.112.5-179.6-60.5-29.3000113.1P74P74-N76 PolarHBondContact O-N 2.81Å
77G87.7Confident95.4Very high35 Ų3561.4 Ų61.436%0.36136%0.36SS..SBendtrans-90.5179.4177.800000112.9P74P74-G77 PolarHBondContact O-N 2.74Å
78P90.3Very high95.3Very high119 Ų11963.5 Ų63.577%0.77337%0.367SS*.PPolyproline II helixtrans-57.6151.716527.6-33.5000110.2
79G91Very high95.3Very high57 Ų5764.5 Ų64.559%0.58838%0.38SS*.PPolyproline II helixtrans-58.2165.8170.400000112.1N81G79-N81 PolarHBondContact O-N 3.06Å
80P95.7Very high95.3Very high24 Ų2468.8 Ų68.816%0.15641%0.408CS..PPolyproline II helixtrans-58.1138.417727.8-35.5000110.3P73 F82 V300 S301 L303P73-P80 HydrophobicContact CG-CB 4.23Å; P80-F82 HydrophobicContact CB-CD2 3.99Å; P80-F82 HydrophobicContact CB-CE1 4.29Å; P80-F82 HydrophobicContact CB-CE2 3.57Å; P80-F82 HydrophobicContact CB-CZ 3.77Å; P80-V300 CarbonylContact C-O 3.51Å; P80-S301 WeakPolarHBondContact O-CA 3.39Å; P80-L303 HydrophobicContact CB-CD1 4.18Å; P80-L303 HydrophobicContact CB-CG 4.34Å; P80-L303 HydrophobicContact CG-CD1 4.11Å; P80-L303 HydrophobicContact CG-CG 4.02Å
81N97Very high95.3Very high114 Ų11469.8 Ų69.861%0.6141%0.411SS*.  trans-144.960.1171.6-174.436.6000108.8G79 V300G79-N81 PolarHBondContact O-N 3.06Å; N81-V300 WeakPolarHBondContact CA-O 3.3Å; N81-V300 PolarHBondContact N-O 3.18Å
82F98.4Very high95.3Very high24 Ų2470.7 Ų70.711%0.10541%0.411CS..EExtended strand (participates in β ladder)trans-86.5117-170.8-50.8-44.2000110.7P73 P80 L84 F191 Y194 M195 F299 V300 L303P73-F82 HydrophobicContact CG-CE1 4.26Å; P73-F82 HydrophobicContact CG-CE2 4.43Å; P73-F82 HydrophobicContact CG-CZ 3.55Å; P80-F82 HydrophobicContact CB-CD2 3.99Å; P80-F82 HydrophobicContact CB-CE1 4.29Å; P80-F82 HydrophobicContact CB-CE2 3.57Å; P80-F82 HydrophobicContact CB-CZ 3.77Å; F82-L84 HydrophobicContact CB-CD2 4.3Å; F82-L84 PolarHBondContact O-N 3.31Å; F82-F191 HydrophobicContact CD2-CD2 4.27Å; F82-F191 HydrophobicContact CD2-CE2 4.18Å; F82-F191 HydrophobicContact CE2-CE2 4.27Å; F82-Y194 HydrophobicContact CB-CD1 4.02Å; F82-Y194 HydrophobicContact CB-CD2 3.66Å; F82-Y194 HydrophobicContact CB-CE1 4.24Å; F82-Y194 HydrophobicContact CB-CE2 3.89Å; F82-Y194 HydrophobicContact CB-CG 3.72Å; F82-Y194 AromaticContact CD1-CD1 3.56Å; F82-Y194 HydrophobicContact CD1-CD1 3.56Å; F82-Y194 HydrophobicContact CD1-CE1 4.19Å; F82-Y194 AromaticContact CD1-CG 3.79Å; F82-Y194 HydrophobicContact CD1-CG 3.79Å; F82-Y194 HydrophobicContact CD2-CG 4.44Å; F82-Y194 HydrophobicContact CE1-CD1 4.23Å; F82-Y194 HydrophobicContact CE1-CG 4.46Å; F82-Y194 AromaticContact CG-CD1 3.99Å; F82-Y194 HydrophobicContact CG-CD1 3.99Å; F82-Y194 HydrophobicContact CG-CD2 4.19Å; F82-Y194 AromaticContact CG-CG 3.75Å; F82-Y194 HydrophobicContact CG-CG 3.75Å; F82-M195 HydrophobicContact CE2-CG 4.37Å; F82-M195 HydrophobicContact CE2-SD 3.53Å; F82-M195 VanDerWaalsContact CE2-SD 3.53Å; F82-M195 HydrophobicContact CZ-SD 3.84Å; F82-F299 CarbonylContact O-C 3.36Å; F82-F299 WeakPolarHBondContact O-CA 3.17Å; F82-V300 HydrophobicContact CB-CB 4.2Å; F82-V300 HydrophobicContact CD2-CB 3.95Å; F82-V300 HydrophobicContact CD2-CG1 3.98Å; F82-V300 PolarHBondContact N-O 3Å; F82-V300 VanDerWaalsContact N-O 3.13Å; F82-V300 PolarHBondContact O-N 3.47Å; F82-L303 HydrophobicContact CE2-CD1 4.39Å
83D98.5Very high95.4Very high48 Ų4871.5 Ų71.526%0.25741%0.41SS..EExtended strand (participates in β ladder)trans-76.4101.4172.4-172.6-12.9000109.8R85 D86 Y194 F299D83-R85 PolarHBondContact O-N 3.46Å; D83-R85 WeakPolarHBondContact OD1-CA 3.42Å; D83-R85 WeakPolarHBondContact OD1-CB 3.37Å; D83-R85 PolarHBondContact OD1-N 2.92Å; D83-D86 HydrophobicContact CB-CB 4.06Å; D83-D86 WeakPolarHBondContact O-CB 3.44Å; D83-D86 PolarHBondContact O-N 2.68Å; D83-D86 PolarHBondContact OD1-N 3.21Å; D83-Y194 PolarHBondContact N-OH 3.23Å; D83-Y194 WeakPolarHBondContact O-CE2 3.44Å; D83-Y194 PolarHBondContact O-OH 3.06Å; D83-F299 HydrophobicContact CB-CD1 3.98Å; D83-F299 HydrophobicContact CB-CE1 3.49Å; D83-F299 VanDerWaalsContact CB-CE1 3.49Å; D83-F299 HydrophobicContact CB-CZ 3.98Å
84L98.7Very high95.5Very high0 Ų073.2 Ų73.20%042%0.421CS..THydrogen-bonded Turntrans-75.9-7.7-179.8-54.8-175.6000113.4F82 Y186 M187 F191 Y194 T256 R294 G298 V300F82-L84 HydrophobicContact CB-CD2 4.3Å; F82-L84 PolarHBondContact O-N 3.31Å; L84-Y186 WeakPolarHBondContact O-CD1 3.36Å; L84-Y186 VanDerWaalsContact O-CE1 3.28Å; L84-Y186 WeakPolarHBondContact O-CE1 3.25Å; L84-M187 HydrophobicContact CB-CB 3.75Å; L84-M187 HydrophobicContact CB-CE 3.8Å; L84-M187 HydrophobicContact CB-CG 3.71Å; L84-M187 HydrophobicContact CD1-CB 4.05Å; L84-M187 HydrophobicContact CD1-CE 4.08Å; L84-M187 HydrophobicContact CG-CE 4.5Å; L84-M187 WeakPolarHBondContact O-CG 3.3Å; L84-F191 HydrophobicContact CD1-CB 4.5Å; L84-F191 HydrophobicContact CD2-CB 3.74Å; L84-F191 HydrophobicContact CD2-CD2 4.34Å; L84-Y194 HydrophobicContact CD2-CD2 4.09Å; L84-Y194 HydrophobicContact CD2-CE2 4.29Å; L84-T256 HydrophobicContact CD1-CG2 4.02Å; L84-R294 HydrophobicContact CD1-CB 4.19Å; L84-G298 VanDerWaalsContact CB-O 3.23Å; L84-G298 WeakPolarHBondContact CB-O 3.17Å; L84-G298 WeakPolarHBondContact CG-O 3.48Å; L84-G298 PolarHBondContact N-O 2.79Å; L84-G298 VanDerWaalsContact N-O 3.11Å; L84-V300 HydrophobicContact CD1-CG2 3.54Å; L84-V300 HydrophobicContact CD2-CG2 4.07Å; L84-V300 HydrophobicContact CG-CG2 3.9Å
85R98.4Very high95.8Very high95 Ų9571.7 Ų71.736%0.35840%0.402SS..THydrogen-bonded Turntrans-92.5-18.1175.4-64.8-176.2163.7149.28.7112.6D83 G87 Y88 E183 D297D83-R85 PolarHBondContact O-N 3.46Å; D83-R85 WeakPolarHBondContact OD1-CA 3.42Å; D83-R85 WeakPolarHBondContact OD1-CB 3.37Å; D83-R85 PolarHBondContact OD1-N 2.92Å; R85-G87 PolarHBondContact O-N 3.34Å; R85-G87 VanDerWaalsContact O-N 3.12Å; R85-Y88 PolarHBondContact O-N 3.01Å; R85-E183 VanDerWaalsContact CD-OE1 3.24Å; R85-E183 WeakPolarHBondContact CD-OE1 3.49Å; R85-E183 WeakPolarHBondContact CG-OE1 3.37Å; R85-E183 IonicContact CZ-OE1 2.73Å; R85-E183 IonicContact NE-OE1 3.11Å; R85-E183 PolarHBondContact NE-OE1 3.45Å; R85-D297 PolarHBondContact NH1-O 3.48Å
86D98.5Very high96.3Very high56 Ų5669.3 Ų69.330%0.29938%0.384SS..THydrogen-bonded Turntrans-52.3116.1177.8169.458.6000111.7D83 R91 Y186 K190D83-D86 HydrophobicContact CB-CB 4.06Å; D83-D86 WeakPolarHBondContact O-CB 3.44Å; D83-D86 PolarHBondContact O-N 2.68Å; D83-D86 PolarHBondContact OD1-N 3.21Å; D86-R91 IonicContact OD1-NH2 3.72Å; D86-R91 PolarHBondContact OD1-NH2 2.69Å; D86-R91 IonicContact OD2-CZ 3.9Å; D86-R91 IonicContact OD2-NH1 2.77Å; D86-R91 IonicContact OD2-NH2 3.7Å; D86-R91 PolarHBondContact OD2-NH2 3.28Å; D86-Y186 PolarHBondContact O-OH 3.43Å; D86-K190 WeakPolarHBondContact O-CE 3.48Å; D86-K190 PolarHBondContact O-NZ 3.13Å; D86-K190 IonicContact OD2-NZ 2.88Å; D86-K190 PolarHBondContact OD2-NZ 2.84Å
87G98.2Very high96.7Very high15 Ų1564.3 Ų64.316%0.15536%0.356CS..THydrogen-bonded Turntrans96-5.5179.500000115.3R85 P89 D90 R91 Y186R85-G87 PolarHBondContact O-N 3.34Å; R85-G87 VanDerWaalsContact O-N 3.12Å; G87-P89 CarbonylContact O-C 3.58Å; G87-D90 PolarHBondContact O-N 3.32Å; G87-D90 VanDerWaalsContact O-N 3.11Å; G87-R91 PolarHBondContact O-N 3.5Å; G87-Y186 WeakPolarHBondContact CA-OH 3.42Å
88Y98.2Very high97.2Very high69 Ų6966.6 Ų66.627%0.27136%0.357SS..THydrogen-bonded Turntrans-86.1131.9175.3-174.6-99.3000112R85 Y92 E183 Y186R85-Y88 PolarHBondContact O-N 3.01Å; Y88-Y92 AromaticContact CD2-CD1 3.94Å; Y88-Y92 HydrophobicContact CD2-CD1 3.94Å; Y88-Y92 HydrophobicContact CD2-CG 4.47Å; Y88-Y92 AromaticContact CE2-CD1 3.76Å; Y88-Y92 HydrophobicContact CE2-CD1 3.76Å; Y88-Y92 HydrophobicContact CE2-CE1 4.18Å; Y88-E183 HydrophobicContact CD1-CB 4.39Å; Y88-E183 HydrophobicContact CD1-CG 4.02Å; Y88-E183 HydrophobicContact CE1-CB 3.96Å; Y88-E183 HydrophobicContact CE1-CG 4.08Å; Y88-E183 HydrophobicContact CG-CG 4.5Å; Y88-Y186 HydrophobicContact CD2-CD1 4.05Å; Y88-Y186 AromaticContact CD2-CD2 3.9Å; Y88-Y186 HydrophobicContact CD2-CD2 3.9Å; Y88-Y186 AromaticContact CD2-CG 3.61Å; Y88-Y186 HydrophobicContact CD2-CG 3.61Å; Y88-Y186 HydrophobicContact CE2-CG 4.46Å; Y88-Y186 HydrophobicContact CG-CD1 4.2Å; Y88-Y186 HydrophobicContact CG-CG 4.23Å
89P97.6Very high97.5Very high78 Ų7864.7 Ų64.751%0.50634%0.343SS..THydrogen-bonded Turncis-91.1-7.4-4.836.9-34.6000114.1G87 R91 Y92G87-P89 CarbonylContact O-C 3.58Å; P89-R91 VanDerWaalsContact C-N 3.3Å; P89-R91 PolarHBondContact O-N 3.01Å; P89-Y92 WeakPolarHBondContact O-CB 3.42Å; P89-Y92 PolarHBondContact O-N 3.09Å
90D98.3Very high97.7Very high151 Ų15166.2 Ų66.281%0.80734%0.335SS*.THydrogen-bonded Turntrans-62.8-28.4-163.9-59.8-30000115.2G87G87-D90 PolarHBondContact O-N 3.32Å; G87-D90 VanDerWaalsContact O-N 3.11Å
91R98.3Very high97.8Very high56 Ų5666.8 Ų66.821%0.21134%0.335CS..THydrogen-bonded Turntrans-110.828.1177.5-69.8-172.4-71.3135.4-6.7112.1D86 G87 P89 P206 S207 G208 E209 V210D86-R91 IonicContact OD1-NH2 3.72Å; D86-R91 PolarHBondContact OD1-NH2 2.69Å; D86-R91 IonicContact OD2-CZ 3.9Å; D86-R91 IonicContact OD2-NH1 2.77Å; D86-R91 IonicContact OD2-NH2 3.7Å; D86-R91 PolarHBondContact OD2-NH2 3.28Å; G87-R91 PolarHBondContact O-N 3.5Å; P89-R91 VanDerWaalsContact C-N 3.3Å; P89-R91 PolarHBondContact O-N 3.01Å; R91-P206 PolarHBondContact NH1-O 2.95Å; R91-S207 PolarHBondContact NH1-O 3.33Å; R91-G208 PolarHBondContact NH1-O 2.97Å; R91-E209 HydrophobicContact CB-CG 4.33Å; R91-E209 WeakPolarHBondContact O-CA 3.24Å; R91-V210 PolarHBondContact O-N 3.4Å
92Y98.6Very high97.8Very high42 Ų4265.5 Ų65.517%0.16532%0.322CS..EExtended strand (participates in β ladder)trans-111.2118.9178.5-175.2-148000112Y88 P89 P94 Y186 V210 T212Y88-Y92 AromaticContact CD2-CD1 3.94Å; Y88-Y92 HydrophobicContact CD2-CD1 3.94Å; Y88-Y92 HydrophobicContact CD2-CG 4.47Å; Y88-Y92 AromaticContact CE2-CD1 3.76Å; Y88-Y92 HydrophobicContact CE2-CD1 3.76Å; Y88-Y92 HydrophobicContact CE2-CE1 4.18Å; P89-Y92 WeakPolarHBondContact O-CB 3.42Å; P89-Y92 PolarHBondContact O-N 3.09Å; Y92-P94 HydrophobicContact CD1-CG 4.38Å; Y92-P94 HydrophobicContact CE1-CB 3.95Å; Y92-P94 HydrophobicContact CE1-CG 4.16Å; Y92-P94 HydrophobicContact CE2-CB 4.14Å; Y92-P94 VanDerWaalsContact O-CD 3.22Å; Y92-P94 WeakPolarHBondContact O-CD 3.41Å; Y92-Y186 AromaticContact CD1-CD2 3.97Å; Y92-Y186 HydrophobicContact CD1-CD2 3.97Å; Y92-Y186 AromaticContact CD2-CD2 3.46Å; Y92-Y186 HydrophobicContact CD2-CD2 3.46Å; Y92-Y186 VanDerWaalsContact CD2-CD2 3.46Å; Y92-Y186 AromaticContact CD2-CE2 3.97Å; Y92-Y186 HydrophobicContact CD2-CE2 3.97Å; Y92-Y186 HydrophobicContact CE1-CD2 4.42Å; Y92-Y186 AromaticContact CE2-CD2 3.95Å; Y92-Y186 HydrophobicContact CE2-CD2 3.95Å; Y92-Y186 AromaticContact CG-CD2 3.46Å; Y92-Y186 HydrophobicContact CG-CD2 3.46Å; Y92-Y186 VanDerWaalsContact CG-CD2 3.46Å; Y92-Y186 AromaticContact CG-CE2 3.95Å; Y92-Y186 HydrophobicContact CG-CE2 3.95Å; Y92-Y186 HydrophobicContact CG-CG 4.49Å; Y92-V210 HydrophobicContact CD2-CB 4.26Å; Y92-V210 HydrophobicContact CD2-CG1 4.15Å; Y92-V210 WeakPolarHBondContact CD2-O 3.42Å; Y92-V210 HydrophobicContact CE2-CG1 4.29Å; Y92-T212 HydrophobicContact CE2-CG2 3.84Å
93Q98.3Very high97.8Very high71 Ų7164.4 Ų64.433%0.33232%0.317SS..EExtended strand (participates in β ladder)trans-112.183.9173.3-65.5179.87.400109.4E209 V210 N211 T212Q93-E209 PolarHBondContact NE2-OE1 3.15Å; Q93-E209 PolarHBondContact NE2-OE2 3.05Å; Q93-V210 PolarHBondContact N-O 2.87Å; Q93-N211 HydrophobicContact CB-CB 3.99Å; Q93-N211 WeakPolarHBondContact O-CA 3.46Å; Q93-N211 PolarHBondContact OE1-ND2 3.3Å; Q93-T212 PolarHBondContact O-N 2.77Å; Q93-T212 PolarHBondContact O-OG1 3.48Å
94P97.7Very high97.8Very high72 Ų7264.5 Ų64.547%0.46832%0.317SS..  trans-66.1141.3175.326.8-33000111Y92 T212Y92-P94 HydrophobicContact CD1-CG 4.38Å; Y92-P94 HydrophobicContact CE1-CB 3.95Å; Y92-P94 HydrophobicContact CE1-CG 4.16Å; Y92-P94 HydrophobicContact CE2-CB 4.14Å; Y92-P94 VanDerWaalsContact O-CD 3.22Å; Y92-P94 WeakPolarHBondContact O-CD 3.41Å; P94-T212 VanDerWaalsContact CA-OG1 3.28Å; P94-T212 WeakPolarHBondContact CA-OG1 3.33Å
95R97.3Very high97.8Very high72 Ų7265.7 Ų65.727%0.27232%0.323SS..  trans-63.6143.4168.1179174.870.581.51.5109.6E97 E101 T212 N213R95-E97 PolarHBondContact O-N 3.4Å; R95-E97 VanDerWaalsContact O-N 3.15Å; R95-E101 IonicContact NH1-OE2 3.66Å; R95-T212 PolarHBondContact N-OG1 3.27Å; R95-N213 WeakPolarHBondContact CA-OD1 3.32Å; R95-N213 WeakPolarHBondContact CG-OD1 3.46Å
96D97.7Very high97.8Very high93 Ų9361.2 Ų61.250%0.49731%0.306SS..  trans-69.5108.6173.9-170.9-6.4000110.7E98 V99D96-E98 VanDerWaalsContact C-N 3.3Å; D96-E98 WeakPolarHBondContact OD1-CB 3.26Å; D96-E98 PolarHBondContact OD1-N 3.18Å; D96-V99 HydrophobicContact CB-CG2 4.09Å; D96-V99 PolarHBondContact O-N 3.41Å
97E96.7Very high97.8Very high60 Ų6058.5 Ų58.528%0.2829%0.292SS..THydrogen-bonded Turntrans-78.8-8.3178.4-64.9175.599.900113.4R95 V99 Q100 R177R95-E97 PolarHBondContact O-N 3.4Å; R95-E97 VanDerWaalsContact O-N 3.15Å; E97-V99 VanDerWaalsContact C-N 3.3Å; E97-Q100 PolarHBondContact O-NE2 3.38Å; E97-R177 IonicContact OE1-CZ 3.85Å; E97-R177 IonicContact OE1-NH1 2.81Å; E97-R177 IonicContact OE1-NH2 3.4Å; E97-R177 PolarHBondContact OE1-NH2 2.8Å; E97-R177 IonicContact OE2-CZ 3.72Å; E97-R177 IonicContact OE2-NH1 2.7Å; E97-R177 PolarHBondContact OE2-NH1 2.89Å; E97-R177 IonicContact OE2-NH2 2.76Å; E97-R177 PolarHBondContact OE2-NH2 3.37Å
98E96.9Very high97.8Very high82 Ų8259.5 Ų59.538%0.38330%0.296SS..THydrogen-bonded Turntrans-75.1-23.3169.7-71.1-64.5116.300111.7D96 Q100 R171 R174D96-E98 VanDerWaalsContact C-N 3.3Å; D96-E98 WeakPolarHBondContact OD1-CB 3.26Å; D96-E98 PolarHBondContact OD1-N 3.18Å; E98-Q100 PolarHBondContact O-N 2.91Å; E98-R171 IonicContact OE1-CZ 2.74Å; E98-R171 IonicContact OE1-NH1 2.54Å; E98-R171 PolarHBondContact OE1-NH1 3.23Å; E98-R171 IonicContact OE1-NH2 2.8Å; E98-R171 IonicContact OE2-CZ 2.6Å; E98-R171 IonicContact OE2-NH1 2.73Å; E98-R171 PolarHBondContact OE2-NH1 3.38Å; E98-R171 VanDerWaalsContact OE2-NH1 3.11Å; E98-R171 IonicContact OE2-NH2 3.99Å; E98-R171 PolarHBondContact OE2-NH2 3.31Å; E98-R174 IonicContact OE1-CZ 3.59Å; E98-R174 VanDerWaalsContact OE1-CZ 3.24Å; E98-R174 IonicContact OE1-NH1 3.64Å; E98-R174 PolarHBondContact OE1-NH1 2.88Å; E98-R174 IonicContact OE1-NH2 3.65Å; E98-R174 PolarHBondContact OE1-NH2 2.8Å
99V96.9Very high97.9Very high79 Ų7956.3 Ų56.348%0.47928%0.283SS..SBendtrans-75.6106.9173.7-176.90000109.8D96 E97 E101D96-V99 HydrophobicContact CB-CG2 4.09Å; D96-V99 PolarHBondContact O-N 3.41Å; E97-V99 VanDerWaalsContact C-N 3.3Å; V99-E101 HydrophobicContact CG1-CG 4.14Å; V99-E101 PolarHBondContact O-N 3.18Å
100Q95.5Very high97.8Very high89 Ų8952.6 Ų52.642%0.41626%0.259SS..  trans-87.285.8179.5-60.8-64.5-39.500110.6E97 E98 R102E97-Q100 PolarHBondContact O-NE2 3.38Å; E98-Q100 PolarHBondContact O-N 2.91Å; Q100-R102 PolarHBondContact O-N 3.16Å
101E97.1Very high97.7Very high36 Ų3646.5 Ų46.517%0.16823%0.227CC..  trans-69.3-17.3-177.9-57173.2144.100114R58 R95 V99 L103 D104 H105R58-E101 WeakPolarHBondContact CG-OE1 3.4Å; R58-E101 IonicContact CZ-OE1 3.71Å; R58-E101 IonicContact CZ-OE2 2.8Å; R58-E101 IonicContact NE-OE1 3.74Å; R58-E101 PolarHBondContact NE-OE1 2.97Å; R58-E101 IonicContact NE-OE2 3.68Å; R58-E101 PolarHBondContact NE-OE2 3.03Å; R58-E101 IonicContact NH2-OE1 2.77Å; R58-E101 IonicContact NH2-OE2 2.78Å; R58-E101 PolarHBondContact NH2-OE2 3.42Å; R95-E101 IonicContact NH1-OE2 3.66Å; V99-E101 HydrophobicContact CG1-CG 4.14Å; V99-E101 PolarHBondContact O-N 3.18Å; E101-L103 PolarHBondContact O-N 2.84Å; E101-L103 VanDerWaalsContact O-N 3.16Å; E101-D104 VanDerWaalsContact O-CB 3.27Å; E101-D104 WeakPolarHBondContact O-CB 3.5Å; E101-D104 PolarHBondContact O-N 3.18Å; E101-H105 IonicContact OE1-CE1 3.86Å; E101-H105 PolarHBondContact OE1-CE1 3.42Å; E101-H105 IonicContact OE2-CE1 3.78Å
102R97.8Very high97.6Very high88 Ų8848.9 Ų48.933%0.33224%0.24SC..THydrogen-bonded Turntrans47-118.7179.5-57.5-173.9-169.2-169.2-1.4111.9Q100 W131 P370 Y371 A372 F373Q100-R102 PolarHBondContact O-N 3.16Å; R102-W131 PolarHBondContact O-NE1 3.32Å; R102-P370 PolarHBondContact NH1-O 2.83Å; R102-P370 PolarHBondContact NH2-O 2.74Å; R102-Y371 PolarHBondContact NH1-O 2.81Å; R102-A372 PolarHBondContact NH1-O 3.18Å; R102-F373 VanDerWaalsContact CD-CB 3.48Å; R102-F373 VanDerWaalsContact NH1-CA 3.33Å; R102-F373 VanDerWaalsContact NH1-CB 3.3Å
103L98.7Very high97.5Very high0 Ų049 Ų490%024%0.242CC..THydrogen-bonded Turntrans-101.22.8178.5-59.1-172.7000113.2E101 H105 L106 L107 W131 Y161 F373E101-L103 PolarHBondContact O-N 2.84Å; E101-L103 VanDerWaalsContact O-N 3.16Å; L103-H105 PolarHBondContact O-N 3.44Å; L103-L106 WeakPolarHBondContact O-CA 3.35Å; L103-L106 WeakPolarHBondContact O-CB 3.47Å; L103-L106 PolarHBondContact O-N 3.39Å; L103-L107 HydrophobicContact CB-CD1 4.09Å; L103-L107 HydrophobicContact CB-CG 3.92Å; L103-L107 WeakPolarHBondContact O-CG 3.01Å; L103-L107 PolarHBondContact O-N 3.33Å; L103-W131 HydrophobicContact CD2-CG 4.23Å; L103-Y161 HydrophobicContact CD1-CD1 4.37Å; L103-F373 HydrophobicContact CD1-CD2 4.18Å; L103-F373 HydrophobicContact CD1-CE2 3.71Å; L103-F373 HydrophobicContact CG-CD2 4.41Å; L103-F373 HydrophobicContact CG-CE2 4.4Å
104D98.6Very high97Very high50 Ų5049.9 Ų49.927%0.26724%0.243SC..Hα-helixtrans-55.4-46.3-160.3-68.42000113E101 L106 L107 C108 W377E101-D104 VanDerWaalsContact O-CB 3.27Å; E101-D104 WeakPolarHBondContact O-CB 3.5Å; E101-D104 PolarHBondContact O-N 3.18Å; D104-L106 PolarHBondContact O-N 2.8Å; D104-L107 PolarHBondContact O-N 3.36Å; D104-L107 VanDerWaalsContact O-N 3.16Å; D104-C108 PolarHBondContact O-N 2.96Å; D104-C108 PolarHBondContact O-SG 2.84Å; D104-C108 VanDerWaalsContact O-SG 3.34Å; D104-W377 HydrophobicContact CB-CZ2 4.24Å
105H98.7Very high96.4Very high26 Ų2650.2 Ų50.212%0.1226%0.259CS..Hα-helixtrans-62.8-38177.2-61146.6000113.5F52 L54 Y60 E101 L103 C108 W109 W131F52-H105 HydrophobicContact CE2-CB 3.87Å; F52-H105 HydrophobicContact CZ-CB 4.2Å; L54-H105 WeakPolarHBondContact CD1-ND1 3.39Å; Y60-H105 HydrophobicContact CD2-CB 4.2Å; Y60-H105 WeakPolarHBondContact CE2-O 3.36Å; E101-H105 IonicContact OE1-CE1 3.86Å; E101-H105 PolarHBondContact OE1-CE1 3.42Å; E101-H105 IonicContact OE2-CE1 3.78Å; L103-H105 PolarHBondContact O-N 3.44Å; H105-C108 PolarHBondContact O-N 2.94Å; H105-W109 PolarHBondContact O-N 2.93Å; H105-W109 VanDerWaalsContact O-N 3.14Å; H105-W131 HydrophobicContact CB-CH2 4.48Å; H105-W131 HydrophobicContact CB-CZ2 4.44Å
106L98.8Very high96Very high0 Ų056.9 Ų56.90%028%0.284CS..Hα-helixtrans-69.7-36.6175177.955.3000111.2L103 D104 W109 L110 V129 T130 W131 V219 L230L103-L106 WeakPolarHBondContact O-CA 3.35Å; L103-L106 WeakPolarHBondContact O-CB 3.47Å; L103-L106 PolarHBondContact O-N 3.39Å; D104-L106 PolarHBondContact O-N 2.8Å; L106-W109 PolarHBondContact O-N 2.71Å; L106-L110 WeakPolarHBondContact O-CB 3.39Å; L106-L110 PolarHBondContact O-N 2.85Å; L106-V129 HydrophobicContact CD2-CG1 3.93Å; L106-V129 HydrophobicContact CG-CG1 4.35Å; L106-T130 VanDerWaalsContact CD2-O 3.26Å; L106-T130 WeakPolarHBondContact CD2-O 3.46Å; L106-W131 HydrophobicContact CB-CH2 4.37Å; L106-W131 HydrophobicContact CB-CZ2 4.11Å; L106-V219 HydrophobicContact CD1-CG1 4.1Å; L106-V219 HydrophobicContact CD1-CG2 4.32Å; L106-L230 HydrophobicContact CD1-CD2 3.96Å; L106-L230 HydrophobicContact CG-CD2 4.5Å
107L98.7Very high95.7Very high0 Ų054 Ų540%027%0.269CS..Hα-helixtrans-67.7-36.5175.5-64.5-178.5000111.8L103 D104 L110 L111 Y161 L374 P375 W377 Y378L103-L107 HydrophobicContact CB-CD1 4.09Å; L103-L107 HydrophobicContact CB-CG 3.92Å; L103-L107 WeakPolarHBondContact O-CG 3.01Å; L103-L107 PolarHBondContact O-N 3.33Å; D104-L107 PolarHBondContact O-N 3.36Å; D104-L107 VanDerWaalsContact O-N 3.16Å; L107-L110 PolarHBondContact O-N 2.87Å; L107-L111 PolarHBondContact O-N 3.36Å; L107-Y161 HydrophobicContact CD2-CD1 3.9Å; L107-Y161 HydrophobicContact CD2-CE1 3.65Å; L107-L374 HydrophobicContact CD1-CD2 3.88Å; L107-L374 HydrophobicContact CD2-CD2 4.38Å; L107-P375 HydrophobicContact CD1-CG 4.21Å; L107-W377 HydrophobicContact CB-CH2 3.58Å; L107-W377 HydrophobicContact CB-CZ2 4.45Å; L107-W377 HydrophobicContact CB-CZ3 4.22Å; L107-Y378 HydrophobicContact CB-CD2 3.74Å; L107-Y378 HydrophobicContact CB-CE2 4.08Å; L107-Y378 HydrophobicContact CB-CG 4.21Å; L107-Y378 HydrophobicContact CD1-CD1 4.33Å; L107-Y378 HydrophobicContact CD1-CG 4.18Å; L107-Y378 HydrophobicContact CD2-CD1 4.31Å; L107-Y378 HydrophobicContact CD2-CD2 4.23Å; L107-Y378 HydrophobicContact CD2-CE1 4.01Å; L107-Y378 HydrophobicContact CD2-CE2 3.96Å; L107-Y378 HydrophobicContact CD2-CG 4.42Å; L107-Y378 HydrophobicContact CG-CD2 4.37Å
108C98.4Very high95.3Very high36 Ų3656.2 Ų56.224%0.24328%0.279CS..Hα-helixtrans-58.6-52170.6-710000110.9Y60 D104 H105 L110 L111 E112 W377Y60-C108 HydrophobicContact CD2-CB 4.34Å; Y60-C108 HydrophobicContact CE1-CB 4.47Å; Y60-C108 HydrophobicContact CE2-CB 4.17Å; D104-C108 PolarHBondContact O-N 2.96Å; D104-C108 PolarHBondContact O-SG 2.84Å; D104-C108 VanDerWaalsContact O-SG 3.34Å; H105-C108 PolarHBondContact O-N 2.94Å; C108-L110 VanDerWaalsContact C-N 3.27Å; C108-L110 PolarHBondContact O-N 3.2Å; C108-L111 PolarHBondContact O-N 3.18Å; C108-E112 WeakPolarHBondContact O-CG 3.21Å; C108-E112 PolarHBondContact O-N 2.86Å; C108-W377 VanDerWaalsContact SG-CH2 3.55Å
109W98.5Very high94.8Very high1 Ų154.6 Ų54.60%0.00428%0.284CS..Hα-helixtrans-56.6-44175.9-176.192.1000111.6L49 C51 F52 Y60 H105 L106 L111 E112 H113 L117 V219 L230L49-W109 HydrophobicContact CB-CH2 3.66Å; L49-W109 HydrophobicContact CB-CZ2 4.01Å; L49-W109 HydrophobicContact CD1-CH2 4.16Å; C51-W109 PolarHBondContact O-NE1 2.61Å; F52-W109 HydrophobicContact CD1-CB 3.94Å; F52-W109 AromaticContact CD1-CD1 3.78Å; F52-W109 HydrophobicContact CD1-CG 4.01Å; F52-W109 HydrophobicContact CE1-CB 4.25Å; Y60-W109 HydrophobicContact CE2-CB 4.29Å; Y60-W109 WeakPolarHBondContact OH-CA 3.2Å; Y60-W109 WeakPolarHBondContact OH-CB 3.04Å; Y60-W109 PolarHBondContact OH-N 2.93Å; H105-W109 PolarHBondContact O-N 2.93Å; H105-W109 VanDerWaalsContact O-N 3.14Å; L106-W109 PolarHBondContact O-N 2.71Å; W109-L111 PolarHBondContact O-N 3.15Å; W109-E112 PolarHBondContact O-N 3.06Å; W109-H113 AromaticContact CD1-CE1 3.62Å; W109-H113 AromaticContact CD1-ND1 3.67Å; W109-H113 HydrophobicContact CD2-CB 4.42Å; W109-H113 AromaticContact CD2-ND1 3.7Å; W109-H113 AromaticContact CE2-CE1 3.86Å; W109-H113 AromaticContact CE2-CG 3.7Å; W109-H113 AromaticContact CE2-ND1 3.53Å; W109-H113 HydrophobicContact CE3-CB 4.32Å; W109-H113 AromaticContact CG-ND1 3.81Å; W109-H113 HydrophobicContact CH2-CB 3.91Å; W109-H113 HydrophobicContact CZ2-CB 4.02Å; W109-H113 AromaticContact CZ2-CD2 3.98Å; W109-H113 AromaticContact CZ2-CG 3.75Å; W109-H113 HydrophobicContact CZ3-CB 4.05Å; W109-H113 AromaticContact NE1-CE1 3.39Å; W109-H113 PolarHBondContact NE1-CE1 2.9Å; W109-H113 AromaticContact NE1-ND1 3.51Å; W109-H113 AromaticContact NE1-NE2 3.83Å; W109-H113 WeakPolarHBondContact O-CB 3.43Å; W109-H113 PolarHBondContact O-N 3Å; W109-H113 PolarHBondContact O-ND1 3.35Å; W109-L117 HydrophobicContact CH2-CD2 4Å; W109-L117 HydrophobicContact CZ3-CD2 3.93Å; W109-V219 HydrophobicContact CD2-CB 4.11Å; W109-V219 HydrophobicContact CD2-CG1 4.02Å; W109-V219 HydrophobicContact CD2-CG2 3.7Å; W109-V219 HydrophobicContact CE3-CB 4.32Å; W109-V219 HydrophobicContact CE3-CG1 3.71Å; W109-V219 HydrophobicContact CE3-CG2 4.22Å; W109-V219 HydrophobicContact CG-CG2 3.87Å; W109-V219 HydrophobicContact CH2-CB 4.23Å; W109-V219 HydrophobicContact CH2-CG1 3.79Å; W109-V219 HydrophobicContact CZ2-CB 3.98Å; W109-V219 HydrophobicContact CZ2-CG1 4.07Å; W109-V219 HydrophobicContact CZ2-CG2 4.36Å; W109-V219 HydrophobicContact CZ3-CB 4.39Å; W109-V219 HydrophobicContact CZ3-CG1 3.61Å; W109-L230 HydrophobicContact CZ3-CD1 4.26Å
110L97.4Very high94.3Very high0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-63.5-41.7-179-17259.6000111.5L106 L107 C108 H113 R114 L117 L124 V129 Y161 L230 Y378L106-L110 WeakPolarHBondContact O-CB 3.39Å; L106-L110 PolarHBondContact O-N 2.85Å; L107-L110 PolarHBondContact O-N 2.87Å; C108-L110 VanDerWaalsContact C-N 3.27Å; C108-L110 PolarHBondContact O-N 3.2Å; L110-H113 PolarHBondContact O-N 3.32Å; L110-R114 WeakPolarHBondContact O-CA 3.21Å; L110-R114 VanDerWaalsContact O-CB 3.3Å; L110-R114 WeakPolarHBondContact O-CB 3.24Å; L110-R114 PolarHBondContact O-N 3.11Å; L110-L117 HydrophobicContact CD1-CD1 3.79Å; L110-L117 HydrophobicContact CD1-CD2 4.4Å; L110-L124 HydrophobicContact CD1-CD1 4.1Å; L110-L124 HydrophobicContact CD1-CD2 4.09Å; L110-L124 HydrophobicContact CD2-CD1 4.24Å; L110-L124 HydrophobicContact CD2-CD2 4.27Å; L110-L124 HydrophobicContact CG-CD2 4.37Å; L110-V129 HydrophobicContact CD2-CG1 4.41Å; L110-V129 HydrophobicContact CD2-CG2 4.29Å; L110-Y161 HydrophobicContact CD2-CE1 4.26Å; L110-L230 HydrophobicContact CD1-CD1 3.9Å; L110-Y378 HydrophobicContact CD2-CE2 4.37Å; L110-Y378 WeakPolarHBondContact CD2-OH 3.22Å
111L96.1Very high93.8Very high24 Ų2455.5 Ų55.513%0.12631%0.308CS..Hα-helixtrans-59.9-48.7172.8-73.9-175.1000111.5L107 C108 W109 H113 R114 W377 Y378 A381 M382L107-L111 PolarHBondContact O-N 3.36Å; C108-L111 PolarHBondContact O-N 3.18Å; W109-L111 PolarHBondContact O-N 3.15Å; L111-H113 PolarHBondContact O-N 3.49Å; L111-R114 WeakPolarHBondContact O-CG 3.38Å; L111-R114 PolarHBondContact O-NH1 2.78Å; L111-W377 HydrophobicContact CD1-CE3 3.6Å; L111-W377 HydrophobicContact CD1-CZ3 3.46Å; L111-W377 VanDerWaalsContact CD1-CZ3 3.46Å; L111-W377 HydrophobicContact CG-CZ3 4.23Å; L111-Y378 HydrophobicContact CD1-CD2 3.99Å; L111-Y378 HydrophobicContact CD2-CD2 3.64Å; L111-Y378 HydrophobicContact CD2-CE2 3.64Å; L111-Y378 HydrophobicContact CG-CD2 3.55Å; L111-Y378 HydrophobicContact CG-CE2 3.78Å; L111-A381 HydrophobicContact CD1-CB 3.95Å; L111-A381 HydrophobicContact CD2-CB 3.88Å; L111-M382 HydrophobicContact CD2-CG 3.75Å; L111-M382 HydrophobicContact CD2-SD 3.71Å
112E95.9Very high93.4Very high105 Ų10556.2 Ų56.249%0.49133%0.325SS..Hα-helixtrans-59.9-28.8-179-69.5172.5168.200112.8Y60 C108 W109Y60-E112 WeakPolarHBondContact CE1-OE1 3.27Å; Y60-E112 WeakPolarHBondContact CE1-OE2 3.36Å; Y60-E112 PolarHBondContact OH-OE2 3.06Å; C108-E112 WeakPolarHBondContact O-CG 3.21Å; C108-E112 PolarHBondContact O-N 2.86Å; W109-E112 PolarHBondContact O-N 3.06Å
113H95.3Very high93.2Very high45 Ų4553.2 Ų53.221%0.20831%0.313CS..Hα-helixtrans-113.4-3.6-171-61.880.3000114.9W109 L110 L111 G115 R116 L117W109-H113 AromaticContact CD1-CE1 3.62Å; W109-H113 AromaticContact CD1-ND1 3.67Å; W109-H113 HydrophobicContact CD2-CB 4.42Å; W109-H113 AromaticContact CD2-ND1 3.7Å; W109-H113 AromaticContact CE2-CE1 3.86Å; W109-H113 AromaticContact CE2-CG 3.7Å; W109-H113 AromaticContact CE2-ND1 3.53Å; W109-H113 HydrophobicContact CE3-CB 4.32Å; W109-H113 AromaticContact CG-ND1 3.81Å; W109-H113 HydrophobicContact CH2-CB 3.91Å; W109-H113 HydrophobicContact CZ2-CB 4.02Å; W109-H113 AromaticContact CZ2-CD2 3.98Å; W109-H113 AromaticContact CZ2-CG 3.75Å; W109-H113 HydrophobicContact CZ3-CB 4.05Å; W109-H113 AromaticContact NE1-CE1 3.39Å; W109-H113 PolarHBondContact NE1-CE1 2.9Å; W109-H113 AromaticContact NE1-ND1 3.51Å; W109-H113 AromaticContact NE1-NE2 3.83Å; W109-H113 WeakPolarHBondContact O-CB 3.43Å; W109-H113 PolarHBondContact O-N 3Å; W109-H113 PolarHBondContact O-ND1 3.35Å; L110-H113 PolarHBondContact O-N 3.32Å; L111-H113 PolarHBondContact O-N 3.49Å; H113-G115 PolarHBondContact O-N 3.28Å; H113-G115 VanDerWaalsContact O-N 3.07Å; H113-R116 PolarHBondContact O-N 2.98Å; H113-L117 PolarHBondContact O-N 3.2Å
114R88.1Confident93.1Very high90 Ų9054.3 Ų54.334%0.3432%0.319SS..G310 helixtrans-52-36.8-173.565.7-169.2-175.6-91.38114.6L110 L111 R116 D385L110-R114 WeakPolarHBondContact O-CA 3.21Å; L110-R114 VanDerWaalsContact O-CB 3.3Å; L110-R114 WeakPolarHBondContact O-CB 3.24Å; L110-R114 PolarHBondContact O-N 3.11Å; L111-R114 WeakPolarHBondContact O-CG 3.38Å; L111-R114 PolarHBondContact O-NH1 2.78Å; R114-R116 VanDerWaalsContact C-N 3.28Å; R114-R116 PolarHBondContact O-N 2.56Å; R114-D385 IonicContact CZ-OD2 3.09Å; R114-D385 IonicContact NE-OD2 2.7Å; R114-D385 PolarHBondContact NE-OD2 3.01Å; R114-D385 IonicContact NH2-OD1 2.66Å; R114-D385 IonicContact NH2-OD2 3.42Å; R114-D385 PolarHBondContact NH2-OD2 2.77Å
115G86.2Confident92.9Very high79 Ų7953.9 Ų53.981%0.81432%0.322SS*.G310 helixtrans-77.5-5.9178.500000115.2H113H113-G115 PolarHBondContact O-N 3.28Å; H113-G115 VanDerWaalsContact O-N 3.07Å
116R88.6Confident92.7Very high211 Ų21159 Ų5980%0.79635%0.347SS*.G310 helixtrans-122.25.5-175.7-59.1179.9-174.9168.72.9113.1H113 R114 E118H113-R116 PolarHBondContact O-N 2.98Å; R114-R116 VanDerWaalsContact C-N 3.28Å; R114-R116 PolarHBondContact O-N 2.56Å; R116-E118 PolarHBondContact O-N 3.37Å
117L91.6Very high92.7Very high34 Ų3459 Ų5918%0.17835%0.347CS..  trans-63132.2179.9-65.9177000111L49 W109 L110 H113 L124 L230L49-L117 HydrophobicContact CD1-CD2 4.17Å; W109-L117 HydrophobicContact CH2-CD2 4Å; W109-L117 HydrophobicContact CZ3-CD2 3.93Å; L110-L117 HydrophobicContact CD1-CD1 3.79Å; L110-L117 HydrophobicContact CD1-CD2 4.4Å; H113-L117 PolarHBondContact O-N 3.2Å; L117-L124 HydrophobicContact CD1-CB 4.18Å; L117-L124 HydrophobicContact CD1-CD1 4.29Å; L117-L124 HydrophobicContact CD1-CD2 3.97Å; L117-L124 HydrophobicContact CD1-CG 4.38Å; L117-L230 HydrophobicContact CD2-CD1 4.17Å
118E87.9Confident92.7Very high106 Ų10659 Ų5950%0.49535%0.347SS..THydrogen-bonded Turntrans-71.4155.1173-58.5-178.2171.700111.8L49 R116 R221L49-E118 HydrophobicContact CD2-CB 4.46Å; L49-E118 HydrophobicContact CD2-CG 4.3Å; R116-E118 PolarHBondContact O-N 3.37Å; E118-R221 IonicContact OE2-NH1 3.68Å
119G86.1Confident92.7Very high48 Ų4857.3 Ų57.350%0.49534%0.335SS..THydrogen-bonded Turntrans116.2-8.917500000115.1
120G86.7Confident92.7Very high44 Ų4457.3 Ų57.345%0.45434%0.335SS..  trans93172.8177.400000113.1G122 W123G120-G122 PolarHBondContact O-N 2.88Å; G120-W123 WeakPolarHBondContact O-CB 3.44Å; G120-W123 PolarHBondContact O-N 3.22Å
121P83.8Confident92.8Very high143 Ų14359.4 Ų59.493%0.92934%0.343SS*.THydrogen-bonded Turntrans-55.1134.1179.2-23.834000111.5W123P121-W123 VanDerWaalsContact C-N 3.28Å; P121-W123 PolarHBondContact O-N 2.96Å
122G88.9Confident92.9Very high51 Ų5159 Ų5953%0.52634%0.34SS..THydrogen-bonded Turntrans79.8-2.5177.600000115.6G120 L124 A125G120-G122 PolarHBondContact O-N 2.88Å; G122-L124 VanDerWaalsContact C-N 3.29Å; G122-L124 PolarHBondContact O-N 2.6Å; G122-A125 WeakPolarHBondContact O-CB 3.23Å; G122-A125 PolarHBondContact O-N 2.68Å
123W95.4Very high93.1Very high25 Ų2555.6 Ų55.610%0.09533%0.333CS..Hα-helixtrans-55.9-42.1-179.7177.575.7000113.1G120 P121 A125 E126 A127 R221 P228 L230G120-W123 WeakPolarHBondContact O-CB 3.44Å; G120-W123 PolarHBondContact O-N 3.22Å; P121-W123 VanDerWaalsContact C-N 3.28Å; P121-W123 PolarHBondContact O-N 2.96Å; W123-A125 VanDerWaalsContact C-N 3.31Å; W123-A125 PolarHBondContact O-N 3.17Å; W123-E126 PolarHBondContact O-N 2.86Å; W123-A127 HydrophobicContact CH2-CB 4.31Å; W123-A127 HydrophobicContact CZ2-CB 4.34Å; W123-A127 HydrophobicContact CZ3-CB 4.49Å; W123-A127 PolarHBondContact O-N 3.16Å; W123-R221 HydrophobicContact CH2-CG 3.85Å; W123-R221 HydrophobicContact CZ2-CG 3.6Å; W123-R221 VanDerWaalsContact CZ2-NE 3.34Å; W123-P228 HydrophobicContact CZ2-CB 4.17Å; W123-L230 HydrophobicContact CH2-CB 3.97Å; W123-L230 HydrophobicContact CH2-CD1 4.23Å; W123-L230 HydrophobicContact CZ3-CB 4.39Å; W123-L230 HydrophobicContact CZ3-CD1 3.95Å
124L95.8Very high93.2Very high22 Ų2254.3 Ų54.312%0.11533%0.327CS..Hα-helixtrans-62.9-38.2177.9-176.761.8000111.7L110 L117 G122 E126 A127 V129 T159 M382L110-L124 HydrophobicContact CD1-CD1 4.1Å; L110-L124 HydrophobicContact CD1-CD2 4.09Å; L110-L124 HydrophobicContact CD2-CD1 4.24Å; L110-L124 HydrophobicContact CD2-CD2 4.27Å; L110-L124 HydrophobicContact CG-CD2 4.37Å; L117-L124 HydrophobicContact CD1-CB 4.18Å; L117-L124 HydrophobicContact CD1-CD1 4.29Å; L117-L124 HydrophobicContact CD1-CD2 3.97Å; L117-L124 HydrophobicContact CD1-CG 4.38Å; G122-L124 VanDerWaalsContact C-N 3.29Å; G122-L124 PolarHBondContact O-N 2.6Å; L124-E126 PolarHBondContact O-N 2.9Å; L124-E126 VanDerWaalsContact O-N 3.12Å; L124-A127 HydrophobicContact CD1-CB 4.49Å; L124-A127 WeakPolarHBondContact O-CB 3.28Å; L124-A127 PolarHBondContact O-N 3.16Å; L124-V129 HydrophobicContact CD1-CG2 3.93Å; L124-T159 HydrophobicContact CD1-CG2 4.07Å; L124-T159 HydrophobicContact CG-CG2 4.32Å; L124-T159 WeakPolarHBondContact O-CG2 3.15Å; L124-T159 PolarHBondContact O-OG1 3.43Å; L124-M382 HydrophobicContact CD2-CE 4.14Å
125A95.1Very high93.8Very high41 Ų4150.1 Ų50.134%0.33931%0.311SS..Hα-helixtrans-65.2-14.9-179.900000113.6G122 W123 Q157 G158 T159G122-A125 WeakPolarHBondContact O-CB 3.23Å; G122-A125 PolarHBondContact O-N 2.68Å; W123-A125 VanDerWaalsContact C-N 3.31Å; W123-A125 PolarHBondContact O-N 3.17Å; A125-Q157 WeakPolarHBondContact CA-O 3.22Å; A125-Q157 WeakPolarHBondContact CB-O 3.32Å; A125-G158 CarbonylContact O-C 2.89Å; A125-G158 VanDerWaalsContact O-CA 3.26Å; A125-G158 WeakPolarHBondContact O-CA 3.09Å; A125-T159 PolarHBondContact O-N 2.87Å
126E94.5Very high94.4Very high135 Ų13547.2 Ų47.263%0.63128%0.278SS*.Hα-helixtrans-102.5-10.8172.2-61.6-173163.600112.8W123 L124 P228W123-E126 PolarHBondContact O-N 2.86Å; L124-E126 PolarHBondContact O-N 2.9Å; L124-E126 VanDerWaalsContact O-N 3.12Å; E126-P228 HydrophobicContact CB-CG 4.36Å; E126-P228 WeakPolarHBondContact O-CD 3.45Å
127A97.9Very high94.8Very high0 Ų040.9 Ų40.90%026%0.256CS..  trans-81.7160.6-172.900000112.7W123 L124 L160 P228W123-A127 HydrophobicContact CH2-CB 4.31Å; W123-A127 HydrophobicContact CZ2-CB 4.34Å; W123-A127 HydrophobicContact CZ3-CB 4.49Å; W123-A127 PolarHBondContact O-N 3.16Å; L124-A127 HydrophobicContact CD1-CB 4.49Å; L124-A127 WeakPolarHBondContact O-CB 3.28Å; L124-A127 PolarHBondContact O-N 3.16Å; A127-L160 PolarHBondContact O-N 2.89Å; A127-L160 VanDerWaalsContact O-N 3.09Å; A127-P228 WeakPolarHBondContact CA-O 3.3Å; A127-P228 HydrophobicContact CB-CB 4.21Å
128I98.8Very high95.2Very high0 Ų039.3 Ų39.30%025%0.247CC..EExtended strand (participates in β ladder)trans-107.2123169.1-52.8178.2000107.9L160 L162 H227 P228 L229 L230 L335 Q339I128-L160 CarbonylContact C-O 3.55Å; I128-L160 VanDerWaalsContact CA-O 3.22Å; I128-L160 WeakPolarHBondContact CA-O 3.26Å; I128-L160 HydrophobicContact CD1-CD2 4.29Å; I128-L160 HydrophobicContact CG1-CB 4.26Å; I128-L160 HydrophobicContact CG1-CD2 4.31Å; I128-L160 HydrophobicContact CG2-CD2 4.49Å; I128-L162 HydrophobicContact CG2-CD1 3.74Å; I128-L162 HydrophobicContact CG2-CG 3.94Å; I128-H227 HydrophobicContact CD1-CB 4.06Å; I128-P228 PolarHBondContact N-O 2.78Å; I128-L229 HydrophobicContact CB-CD2 3.95Å; I128-L229 HydrophobicContact CD1-CD2 4.44Å; I128-L230 PolarHBondContact O-N 3.24Å; I128-L335 HydrophobicContact CD1-CB 3.84Å; I128-L335 HydrophobicContact CD1-CD1 4.2Å; I128-L335 HydrophobicContact CD1-CD2 3.67Å; I128-L335 HydrophobicContact CD1-CG 4.07Å; I128-L335 HydrophobicContact CG2-CD2 4.36Å; I128-Q339 HydrophobicContact CD1-CG 4.23Å
129V98.8Very high95.7Very high0 Ų034.2 Ų34.20%022%0.224CC..EExtended strand (participates in β ladder)trans-105.8123.2-178.11780000110.1L106 L110 L124 T159 L160 Y161 L162 L230L106-V129 HydrophobicContact CD2-CG1 3.93Å; L106-V129 HydrophobicContact CG-CG1 4.35Å; L110-V129 HydrophobicContact CD2-CG1 4.41Å; L110-V129 HydrophobicContact CD2-CG2 4.29Å; L124-V129 HydrophobicContact CD1-CG2 3.93Å; V129-T159 HydrophobicContact CB-CG2 4.33Å; V129-T159 HydrophobicContact CG2-CG2 3.51Å; V129-L160 PolarHBondContact N-O 2.59Å; V129-Y161 HydrophobicContact CB-CD1 3.6Å; V129-Y161 HydrophobicContact CB-CE1 3.82Å; V129-Y161 HydrophobicContact CB-CG 4.37Å; V129-Y161 HydrophobicContact CG1-CD1 3.78Å; V129-Y161 HydrophobicContact CG1-CE1 3.94Å; V129-Y161 HydrophobicContact CG2-CD1 4.28Å; V129-Y161 HydrophobicContact CG2-CE1 4.01Å; V129-Y161 WeakPolarHBondContact O-CA 3.39Å; V129-L162 PolarHBondContact O-N 3.41Å; V129-L230 VanDerWaalsContact CA-O 3.28Å; V129-L230 WeakPolarHBondContact CA-O 3.5Å; V129-L230 HydrophobicContact CG1-CD2 4.13Å; V129-L230 HydrophobicContact CG2-CB 4.24Å; V129-L230 HydrophobicContact CG2-CD2 4.35Å
130T98.9Very high96.3Very high1 Ų132.4 Ų32.41%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-164179.4-178.9-165.60000113L106 H134 L135 L162 L230 F231 S232L106-T130 VanDerWaalsContact CD2-O 3.26Å; L106-T130 WeakPolarHBondContact CD2-O 3.46Å; T130-H134 PolarHBondContact OG1-CD2 2.7Å; T130-H134 VanDerWaalsContact OG1-CD2 3.25Å; T130-L135 HydrophobicContact CG2-CD1 3.96Å; T130-L135 HydrophobicContact CG2-CD2 3.84Å; T130-L135 HydrophobicContact CG2-CG 3.63Å; T130-L162 WeakPolarHBondContact CB-O 3.38Å; T130-L162 PolarHBondContact OG1-O 2.68Å; T130-L230 PolarHBondContact N-O 2.78Å; T130-F231 HydrophobicContact CG2-CB 4.31Å; T130-F231 WeakPolarHBondContact O-CA 3.28Å; T130-F231 WeakPolarHBondContact O-CB 3.12Å; T130-S232 PolarHBondContact O-N 2.91Å
131W98.9Very high96.9Very high44 Ų4430.4 Ų30.417%0.16718%0.182CC..EExtended strand (participates in β ladder)trans-85.6146167-71111.8000112F52 R102 L103 H105 L106 G133 H134 L135 S232F52-W131 HydrophobicContact CE2-CH2 4.26Å; F52-W131 AromaticContact CZ-CH2 3.63Å; F52-W131 HydrophobicContact CZ-CH2 3.63Å; F52-W131 HydrophobicContact CZ-CZ3 4.05Å; R102-W131 PolarHBondContact O-NE1 3.32Å; L103-W131 HydrophobicContact CD2-CG 4.23Å; H105-W131 HydrophobicContact CB-CH2 4.48Å; H105-W131 HydrophobicContact CB-CZ2 4.44Å; L106-W131 HydrophobicContact CB-CH2 4.37Å; L106-W131 HydrophobicContact CB-CZ2 4.11Å; W131-G133 PolarHBondContact O-N 3.1Å; W131-H134 AromaticContact CD1-CE1 3.76Å; W131-H134 AromaticContact CD1-NE2 3.62Å; W131-H134 WeakPolarHBondContact O-CB 3.31Å; W131-H134 PolarHBondContact O-N 3.45Å; W131-L135 PolarHBondContact O-N 2.74Å; W131-S232 VanDerWaalsContact CE3-O 3.29Å; W131-S232 VanDerWaalsContact CZ3-CB 3.46Å; W131-S232 VanDerWaalsContact CZ3-OG 3.32Å; W131-S232 WeakPolarHBondContact CZ3-OG 3.03Å
132R98.8Very high97.6Very high16 Ų1624.3 Ų24.36%0.0614%0.142CC..Hα-helixtrans-49.6-42.1170.3-177.9-83.5-53.2-76-8.4111.6H134 L135 T136 F231 S232 E234 Q280 L283 P284R132-H134 VanDerWaalsContact C-N 3.27Å; R132-H134 PolarHBondContact O-N 3.31Å; R132-L135 PolarHBondContact O-N 3.34Å; R132-T136 WeakPolarHBondContact CD-OG1 3.28Å; R132-T136 PolarHBondContact O-N 3.22Å; R132-T136 PolarHBondContact O-OG1 3.14Å; R132-T136 VanDerWaalsContact O-OG1 3.1Å; R132-F231 HydrophobicContact CB-CD2 3.86Å; R132-F231 HydrophobicContact CB-CE2 4.31Å; R132-F231 HydrophobicContact CG-CD2 4.36Å; R132-F231 HydrophobicContact CG-CE2 4.32Å; R132-S232 VanDerWaalsContact CB-O 3.25Å; R132-S232 WeakPolarHBondContact CB-O 3.39Å; R132-S232 PolarHBondContact N-O 3.5Å; R132-E234 PolarHBondContact NH2-O 2.87Å; R132-Q280 WeakPolarHBondContact CD-O 3.38Å; R132-Q280 PolarHBondContact NH1-O 2.94Å; R132-L283 HydrophobicContact CG-CB 4.27Å; R132-L283 HydrophobicContact CG-CD1 4.45Å; R132-P284 HydrophobicContact CG-CG 4.48Å
133G98.5Very high98.1Very high33 Ų3324.5 Ų24.534%0.3413%0.127SC..Hα-helixtrans-60-33.6179.600000113.9W131 T136 K137W131-G133 PolarHBondContact O-N 3.1Å; G133-T136 WeakPolarHBondContact O-CB 3.28Å; G133-T136 PolarHBondContact O-N 3.12Å; G133-K137 PolarHBondContact O-N 2.83Å; G133-K137 VanDerWaalsContact O-N 3.11Å
134H98.8Very high98.2Very high18 Ų1824.6 Ų24.68%0.08313%0.129CC..Hα-helixtrans-71.5-43.1178-55.94.6000110.5T130 W131 R132 T136 K137 L138 L151 L162 E164T130-H134 PolarHBondContact OG1-CD2 2.7Å; T130-H134 VanDerWaalsContact OG1-CD2 3.25Å; W131-H134 AromaticContact CD1-CE1 3.76Å; W131-H134 AromaticContact CD1-NE2 3.62Å; W131-H134 WeakPolarHBondContact O-CB 3.31Å; W131-H134 PolarHBondContact O-N 3.45Å; R132-H134 VanDerWaalsContact C-N 3.27Å; R132-H134 PolarHBondContact O-N 3.31Å; H134-T136 VanDerWaalsContact C-N 3.32Å; H134-T136 PolarHBondContact O-N 3.23Å; H134-K137 PolarHBondContact O-N 2.9Å; H134-L138 PolarHBondContact O-N 3.49Å; H134-L138 VanDerWaalsContact O-N 3.14Å; H134-L151 HydrophobicContact CB-CD2 3.97Å; H134-L162 PolarHBondContact CD2-O 3.43Å; H134-E164 PolarHBondContact CD2-N 3.5Å; H134-E164 VanDerWaalsContact CD2-N 3.28Å; H134-E164 WeakPolarHBondContact CE1-CB 3.42Å; H134-E164 IonicContact ND1-OE2 3.29Å; H134-E164 PolarHBondContact NE2-N 3.47Å
135L98.9Very high98.3Very high1 Ų133.3 Ų33.31%0.00516%0.16CC..Hα-helixtrans-62.1-39.2172.5-63.3177.8000111.7T130 W131 R132 K137 L138 L139 L229 F231 L283T130-L135 HydrophobicContact CG2-CD1 3.96Å; T130-L135 HydrophobicContact CG2-CD2 3.84Å; T130-L135 HydrophobicContact CG2-CG 3.63Å; W131-L135 PolarHBondContact O-N 2.74Å; R132-L135 PolarHBondContact O-N 3.34Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 2.85Å; L135-L138 HydrophobicContact CD2-CD1 4.24Å; L135-L138 WeakPolarHBondContact O-CB 3.45Å; L135-L138 PolarHBondContact O-N 3.23Å; L135-L139 WeakPolarHBondContact O-CD1 3.4Å; L135-L139 PolarHBondContact O-N 2.98Å; L135-L229 HydrophobicContact CD1-CD1 4.32Å; L135-F231 HydrophobicContact CD1-CB 4.19Å; L135-F231 HydrophobicContact CD1-CD1 3.98Å; L135-F231 HydrophobicContact CD1-CD2 4.47Å; L135-F231 HydrophobicContact CD1-CG 3.95Å; L135-L283 HydrophobicContact CB-CD1 3.59Å; L135-L283 HydrophobicContact CB-CD2 4.28Å; L135-L283 HydrophobicContact CD1-CD2 4.48Å
136T98.9Very high98.4Very high19 Ų1938.7 Ų38.712%0.11718%0.179CC..Hα-helixtrans-58.1-45.9174.5-61.20000111.2R132 G133 H134 L138 L139 T140 A279 Q280R132-T136 WeakPolarHBondContact CD-OG1 3.28Å; R132-T136 PolarHBondContact O-N 3.22Å; R132-T136 PolarHBondContact O-OG1 3.14Å; R132-T136 VanDerWaalsContact O-OG1 3.1Å; G133-T136 WeakPolarHBondContact O-CB 3.28Å; G133-T136 PolarHBondContact O-N 3.12Å; H134-T136 VanDerWaalsContact C-N 3.32Å; H134-T136 PolarHBondContact O-N 3.23Å; T136-L138 VanDerWaalsContact C-N 3.32Å; T136-L138 PolarHBondContact O-N 3.12Å; T136-L139 WeakPolarHBondContact O-CB 3.38Å; T136-L139 PolarHBondContact O-N 3.43Å; T136-T140 WeakPolarHBondContact O-CG2 3.37Å; T136-T140 PolarHBondContact O-N 3.46Å; T136-T140 PolarHBondContact O-OG1 2.67Å; T136-A279 HydrophobicContact CG2-CB 3.9Å; T136-Q280 HydrophobicContact CG2-CB 4.29Å
137K98.8Very high98.5Very high78 Ų7837.2 Ų37.234%0.33917%0.172SC..Hα-helixtrans-57.3-47.3176.5-74.6-176.9172.7174.30110.9G133 H134 L135 L139 T140 T141 W149 E164G133-K137 PolarHBondContact O-N 2.83Å; G133-K137 VanDerWaalsContact O-N 3.11Å; H134-K137 PolarHBondContact O-N 2.9Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 2.85Å; K137-L139 PolarHBondContact O-N 3.1Å; K137-T140 PolarHBondContact O-N 3.03Å; K137-T140 VanDerWaalsContact O-N 3.15Å; K137-T140 PolarHBondContact O-OG1 3.32Å; K137-T141 PolarHBondContact O-N 3.08Å; K137-T141 PolarHBondContact O-OG1 3.36Å; K137-W149 HydrophobicContact CD-CB 4.3Å; K137-E164 VanDerWaalsContact CD-OE1 3.27Å; K137-E164 WeakPolarHBondContact CD-OE1 3.48Å; K137-E164 WeakPolarHBondContact CE-OE1 3.38Å; K137-E164 IonicContact NZ-OE1 3.4Å; K137-E164 PolarHBondContact NZ-OE1 3.21Å; K137-E164 IonicContact NZ-OE2 3.73Å; K137-E164 PolarHBondContact NZ-OE2 2.87Å
138L98.9Very high98.5Very high0 Ų037.9 Ų37.90%018%0.179CC..Hα-helixtrans-55.6-50.5174.1-65.3176.5000112.2H134 L135 T136 T140 T141 W149 L151 F330 C331 F334H134-L138 PolarHBondContact O-N 3.49Å; H134-L138 VanDerWaalsContact O-N 3.14Å; L135-L138 HydrophobicContact CD2-CD1 4.24Å; L135-L138 WeakPolarHBondContact O-CB 3.45Å; L135-L138 PolarHBondContact O-N 3.23Å; T136-L138 VanDerWaalsContact C-N 3.32Å; T136-L138 PolarHBondContact O-N 3.12Å; L138-T140 PolarHBondContact O-N 3.31Å; L138-T141 WeakPolarHBondContact O-CB 3.45Å; L138-T141 PolarHBondContact O-N 3.32Å; L138-T141 PolarHBondContact O-OG1 2.78Å; L138-W149 HydrophobicContact CD2-CH2 3.73Å; L138-W149 HydrophobicContact CD2-CZ2 3.69Å; L138-W149 HydrophobicContact CD2-CZ3 4.42Å; L138-L151 HydrophobicContact CD1-CD1 4.24Å; L138-L151 HydrophobicContact CD2-CD1 3.78Å; L138-L151 HydrophobicContact CG-CD1 4.04Å; L138-F330 HydrophobicContact CB-CE1 4.41Å; L138-F330 HydrophobicContact CD2-CE1 4.29Å; L138-F330 WeakPolarHBondContact O-CD1 3.44Å; L138-F330 WeakPolarHBondContact O-CE1 3.44Å; L138-C331 HydrophobicContact CB-CB 4.44Å; L138-F334 HydrophobicContact CD1-CD1 3.37Å; L138-F334 HydrophobicContact CD1-CE1 3.65Å; L138-F334 HydrophobicContact CD1-CG 4.12Å; L138-F334 HydrophobicContact CD2-CB 4.36Å; L138-F334 HydrophobicContact CD2-CD1 3.66Å; L138-F334 HydrophobicContact CD2-CD2 3.83Å; L138-F334 HydrophobicContact CD2-CE1 3.85Å; L138-F334 HydrophobicContact CD2-CE2 4Å; L138-F334 HydrophobicContact CD2-CG 3.65Å; L138-F334 HydrophobicContact CD2-CZ 4.02Å; L138-F334 HydrophobicContact CG-CD1 4.16Å; L138-F334 HydrophobicContact CG-CE1 4.39Å
139L98.9Very high98.5Very high0 Ų038.2 Ų38.20%018%0.18CC..Hα-helixtrans-55.9-36.9179-95.765.3000112.1L135 T136 K137 W278 A279 L283 C327 M328 C331L135-L139 WeakPolarHBondContact O-CD1 3.4Å; L135-L139 PolarHBondContact O-N 2.98Å; T136-L139 WeakPolarHBondContact O-CB 3.38Å; T136-L139 PolarHBondContact O-N 3.43Å; K137-L139 PolarHBondContact O-N 3.1Å; L139-W278 HydrophobicContact CD2-CH2 4.19Å; L139-W278 HydrophobicContact CD2-CZ3 4.04Å; L139-A279 HydrophobicContact CB-CB 3.93Å; L139-A279 HydrophobicContact CD2-CB 3.81Å; L139-L283 HydrophobicContact CD1-CD1 4.36Å; L139-L283 HydrophobicContact CD1-CD2 4.05Å; L139-L283 HydrophobicContact CD2-CD1 4.05Å; L139-L283 HydrophobicContact CD2-CD2 4.02Å; L139-L283 HydrophobicContact CD2-CG 3.86Å; L139-C327 HydrophobicContact CB-CB 4.16Å; L139-C327 HydrophobicContact CG-CB 4.2Å; L139-C327 VanDerWaalsContact O-CA 3.31Å; L139-C327 WeakPolarHBondContact O-CA 3.31Å; L139-C327 WeakPolarHBondContact O-CB 3.43Å; L139-C327 PolarHBondContact O-SG 3.08Å; L139-M328 HydrophobicContact CD1-SD 4.06Å; L139-M328 HydrophobicContact CD2-SD 3.6Å; L139-M328 HydrophobicContact CG-SD 3.82Å; L139-C331 HydrophobicContact CD1-CB 3.63Å
140T98.8Very high98.5Very high10 Ų1040 Ų406%0.06119%0.188CC..Hα-helixtrans-87.6-16.9-176.858.50000114.5T136 K137 L138 P142 Y143 E144 L275 K276 A279T136-T140 WeakPolarHBondContact O-CG2 3.37Å; T136-T140 PolarHBondContact O-N 3.46Å; T136-T140 PolarHBondContact O-OG1 2.67Å; K137-T140 PolarHBondContact O-N 3.03Å; K137-T140 VanDerWaalsContact O-N 3.15Å; K137-T140 PolarHBondContact O-OG1 3.32Å; L138-T140 PolarHBondContact O-N 3.31Å; T140-P142 VanDerWaalsContact C-CD 3.43Å; T140-Y143 CarbonylContact O-C 3.41Å; T140-Y143 PolarHBondContact O-N 3.05Å; T140-E144 PolarHBondContact O-N 3.49Å; T140-L275 HydrophobicContact CG2-CD1 4.3Å; T140-L275 HydrophobicContact CG2-CD2 4.33Å; T140-L275 HydrophobicContact CG2-CG 3.98Å; T140-K276 HydrophobicContact CG2-CG 4.42Å; T140-A279 HydrophobicContact CG2-CB 4.01Å
141T98.9Very high98.5Very high2 Ų240 Ų401%0.01219%0.188CC..G310 helixtrans-45.7-46.3-177-65.40000114.5T31 K137 L138 Y143 E144 W149 F330 W355T31-T141 HydrophobicContact CG2-CG2 3.79Å; K137-T141 PolarHBondContact O-N 3.08Å; K137-T141 PolarHBondContact O-OG1 3.36Å; L138-T141 WeakPolarHBondContact O-CB 3.45Å; L138-T141 PolarHBondContact O-N 3.32Å; L138-T141 PolarHBondContact O-OG1 2.78Å; T141-Y143 PolarHBondContact O-N 2.66Å; T141-E144 PolarHBondContact O-N 3.49Å; T141-W149 HydrophobicContact CG2-CZ2 4.23Å; T141-W149 PolarHBondContact OG1-NE1 3.08Å; T141-F330 VanDerWaalsContact CB-CE1 3.44Å; T141-F330 HydrophobicContact CG2-CE1 3.72Å; T141-F330 HydrophobicContact CG2-CE2 4.3Å; T141-F330 HydrophobicContact CG2-CZ 3.57Å; T141-W355 HydrophobicContact CG2-CD2 3.65Å; T141-W355 VanDerWaalsContact CG2-CE2 3.46Å; T141-W355 HydrophobicContact CG2-CE3 4.04Å; T141-W355 HydrophobicContact CG2-CG 4.19Å; T141-W355 HydrophobicContact CG2-CH2 4Å; T141-W355 HydrophobicContact CG2-CZ2 3.64Å; T141-W355 HydrophobicContact CG2-CZ3 4.2Å; T141-W355 WeakPolarHBondContact O-CH2 3.16Å; T141-W355 WeakPolarHBondContact O-CZ2 3.28Å
142P98.7Very high98.5Very high14 Ų1437.9 Ų37.99%0.09118%0.18CC..G310 helixtrans-60.9-22.7-178.9-24.836.4000114.2T31 P33 T140 V326 F330T31-P142 WeakPolarHBondContact O-CA 3.33Å; T31-P142 WeakPolarHBondContact O-CB 3.2Å; P33-P142 HydrophobicContact CB-CB 4.47Å; P33-P142 WeakPolarHBondContact CD-O 3.38Å; P33-P142 HydrophobicContact CG-CB 3.84Å; P33-P142 WeakPolarHBondContact CG-O 3.39Å; T140-P142 VanDerWaalsContact C-CD 3.43Å; P142-V326 HydrophobicContact CB-CG1 3.75Å; P142-V326 HydrophobicContact CG-CG1 4.04Å; P142-F330 HydrophobicContact CG-CB 3.56Å; P142-F330 HydrophobicContact CG-CD1 3.94Å; P142-F330 HydrophobicContact CG-CD2 4.28Å; P142-F330 HydrophobicContact CG-CG 3.63Å
143Y98.6Very high98.5Very high55 Ų5537.1 Ų37.122%0.21618%0.177CC..G310 helixtrans-112.2-8.2-177.5-60.7-70.8000113.6P33 T140 T141 L275 W322 N323 V326P33-Y143 HydrophobicContact CB-CE1 4.19Å; P33-Y143 HydrophobicContact CG-CD1 4.25Å; P33-Y143 HydrophobicContact CG-CE1 4.01Å; T140-Y143 CarbonylContact O-C 3.41Å; T140-Y143 PolarHBondContact O-N 3.05Å; T141-Y143 PolarHBondContact O-N 2.66Å; Y143-L275 HydrophobicContact CD2-CD2 4.02Å; Y143-L275 HydrophobicContact CG-CD2 4.1Å; Y143-W322 HydrophobicContact CD1-CB 4.2Å; Y143-W322 HydrophobicContact CD2-CB 3.83Å; Y143-W322 HydrophobicContact CE1-CB 4.12Å; Y143-W322 HydrophobicContact CE2-CB 3.73Å; Y143-W322 HydrophobicContact CG-CB 4.06Å; Y143-N323 PolarHBondContact OH-N 2.69Å; Y143-V326 HydrophobicContact CE2-CB 4.08Å; Y143-V326 HydrophobicContact CE2-CG1 3.74Å; Y143-V326 WeakPolarHBondContact OH-CB 3.45Å
144E98.3Very high98.5Very high27 Ų2735.5 Ų35.513%0.12616%0.161CC..  trans-76.1135.2-179.9-177.354.2-97.700110T140 T141 Q146 E147 K276 W355T140-E144 PolarHBondContact O-N 3.49Å; T141-E144 PolarHBondContact O-N 3.49Å; E144-Q146 WeakPolarHBondContact OE1-CB 3.35Å; E144-Q146 PolarHBondContact OE1-N 3.02Å; E144-E147 WeakPolarHBondContact CG-O 3.43Å; E144-E147 PolarHBondContact OE1-N 2.91Å; E144-K276 VanDerWaalsContact OE2-CE 3.26Å; E144-K276 WeakPolarHBondContact OE2-CE 3.35Å; E144-K276 IonicContact OE2-NZ 3.52Å; E144-K276 PolarHBondContact OE2-NZ 2.87Å; E144-W355 HydrophobicContact CB-CH2 3.81Å; E144-W355 HydrophobicContact CB-CZ3 4.14Å; E144-W355 HydrophobicContact CG-CH2 4.12Å; E144-W355 HydrophobicContact CG-CZ3 4.08Å
145R97.7Very high98.5Very high205 Ų20536.2 Ų36.277%0.77416%0.163SC*.  trans-131.6-2.3-172.6-65-173.5-177-179.41113.5
146Q96.6Very high98.5Very high155 Ų15536.6 Ų36.672%0.72416%0.164SC*.SBendtrans-117.4-50.3-172.6-60-64.5-31.200111.9E144E144-Q146 WeakPolarHBondContact OE1-CB 3.35Å; E144-Q146 PolarHBondContact OE1-N 3.02Å
147E97.1Very high98.4Very high104 Ų10438 Ų3849%0.48617%0.17SC..  trans-116.6113-167.7-64.5173.9153.200110.7E144 W355E144-E147 WeakPolarHBondContact CG-O 3.43Å; E144-E147 PolarHBondContact OE1-N 2.91Å; E147-W355 WeakPolarHBondContact O-CZ3 3.37Å
148G98.3Very high98.3Very high14 Ų1435.2 Ų35.214%0.14416%0.163CC..  trans-72.3174.2166.300000112.9W355G148-W355 CarbonylContact C-O 3.6Å; G148-W355 WeakPolarHBondContact CA-O 3.33Å
149W98.8Very high98.3Very high6 Ų635.3 Ų35.32%0.02316%0.163CC..EExtended strand (participates in β ladder)trans-149.2161.1-179.752.7-103.1000112.5K137 L138 T141 L151 F334 F353 W355 V361K137-W149 HydrophobicContact CD-CB 4.3Å; L138-W149 HydrophobicContact CD2-CH2 3.73Å; L138-W149 HydrophobicContact CD2-CZ2 3.69Å; L138-W149 HydrophobicContact CD2-CZ3 4.42Å; T141-W149 HydrophobicContact CG2-CZ2 4.23Å; T141-W149 PolarHBondContact OG1-NE1 3.08Å; W149-L151 HydrophobicContact CE3-CB 4.36Å; W149-L151 HydrophobicContact CE3-CD1 4.07Å; W149-L151 HydrophobicContact CE3-CG 3.75Å; W149-L151 HydrophobicContact CH2-CD1 4.47Å; W149-L151 HydrophobicContact CZ3-CB 4.24Å; W149-L151 HydrophobicContact CZ3-CD1 3.89Å; W149-L151 HydrophobicContact CZ3-CG 3.91Å; W149-F334 HydrophobicContact CH2-CD2 4.12Å; W149-F334 AromaticContact CH2-CE2 3.67Å; W149-F334 HydrophobicContact CH2-CE2 3.67Å; W149-F334 HydrophobicContact CH2-CZ 4.37Å; W149-F334 HydrophobicContact CZ3-CE2 4.11Å; W149-F334 HydrophobicContact CZ3-CZ 4.49Å; W149-F353 HydrophobicContact CZ3-CB 4.18Å; W149-W355 AromaticContact CD1-CE3 3.43Å; W149-W355 VanDerWaalsContact CD1-CE3 3.43Å; W149-W355 AromaticContact CD1-CZ3 3.94Å; W149-W355 HydrophobicContact CD2-CB 4.03Å; W149-W355 HydrophobicContact CD2-CE3 4.49Å; W149-W355 AromaticContact CE2-CE3 3.88Å; W149-W355 HydrophobicContact CE3-CB 4.27Å; W149-W355 HydrophobicContact CG-CE3 4.23Å; W149-W355 HydrophobicContact CH2-CB 3.89Å; W149-W355 HydrophobicContact CZ2-CB 3.62Å; W149-W355 HydrophobicContact CZ2-CD2 4.42Å; W149-W355 HydrophobicContact CZ2-CG 4.04Å; W149-W355 HydrophobicContact CZ3-CB 4.21Å; W149-W355 PolarHBondContact N-O 3.07Å; W149-W355 AromaticContact NE1-CD2 3.84Å; W149-W355 AromaticContact NE1-CE3 3.18Å; W149-W355 AromaticContact NE1-CZ3 3.83Å; W149-W355 PolarHBondContact O-N 3.26Å; W149-V361 HydrophobicContact CH2-CG1 3.91Å; W149-V361 HydrophobicContact CH2-CG2 3.91Å; W149-V361 HydrophobicContact CZ2-CG2 4.17Å; W149-V361 HydrophobicContact CZ3-CG1 4.35Å
150Q98.8Very high98.3Very high37 Ų3735.3 Ų35.317%0.17316%0.163CC..EExtended strand (participates in β ladder)trans-128.8132.4170.2-73-175.2-38.100110.5E164 V165 T167 L352 F353 S354Q150-E164 WeakPolarHBondContact O-CA 3.37Å; Q150-V165 HydrophobicContact CB-CB 3.98Å; Q150-V165 PolarHBondContact O-N 3.15Å; Q150-T167 HydrophobicContact CB-CG2 4.31Å; Q150-T167 HydrophobicContact CG-CG2 3.94Å; Q150-L352 HydrophobicContact CB-CD1 4.12Å; Q150-F353 CarbonylContact C-O 3.59Å; Q150-F353 VanDerWaalsContact CA-O 3.29Å; Q150-F353 WeakPolarHBondContact CA-O 3.43Å; Q150-S354 PolarHBondContact NE2-OG 2.95Å
151L98.9Very high98.3Very high1 Ų134.8 Ų34.81%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-121.4114.3175.1-67.4177.1000109.2H134 L138 W149 E164 F334 F353H134-L151 HydrophobicContact CB-CD2 3.97Å; L138-L151 HydrophobicContact CD1-CD1 4.24Å; L138-L151 HydrophobicContact CD2-CD1 3.78Å; L138-L151 HydrophobicContact CG-CD1 4.04Å; W149-L151 HydrophobicContact CE3-CB 4.36Å; W149-L151 HydrophobicContact CE3-CD1 4.07Å; W149-L151 HydrophobicContact CE3-CG 3.75Å; W149-L151 HydrophobicContact CH2-CD1 4.47Å; W149-L151 HydrophobicContact CZ3-CB 4.24Å; W149-L151 HydrophobicContact CZ3-CD1 3.89Å; W149-L151 HydrophobicContact CZ3-CG 3.91Å; L151-E164 HydrophobicContact CD2-CB 4.01Å; L151-F334 HydrophobicContact CD1-CE1 4.1Å; L151-F334 HydrophobicContact CD1-CZ 3.83Å; L151-F353 HydrophobicContact CB-CB 4.46Å; L151-F353 PolarHBondContact N-O 3.47Å; L151-F353 PolarHBondContact O-N 3.48Å
152A98.8Very high98.3Very high0 Ų034.8 Ų34.80%016%0.16CC..EExtended strand (participates in β ladder)trans-75.7130.916800000109.4L162 S163 V165 V350 L352 F373A152-L162 WeakPolarHBondContact O-CA 3.14Å; A152-S163 WeakPolarHBondContact CB-O 3.39Å; A152-S163 PolarHBondContact N-O 3.01Å; A152-S163 PolarHBondContact O-N 3.34Å; A152-V165 HydrophobicContact CB-CG2 3.72Å; A152-V350 HydrophobicContact CB-CG1 3.56Å; A152-L352 HydrophobicContact CB-CD1 4.24Å; A152-F373 HydrophobicContact CB-CD1 3.77Å; A152-F373 HydrophobicContact CB-CE1 3.81Å
153A98.9Very high98.3Very high0 Ų034.2 Ų34.20%016%0.157CC..EExtended strand (participates in β ladder)trans-124.2132.3176.300000111.6L160 Y161 L162 V342 V350 H351 F353A153-L160 HydrophobicContact CB-CD1 4.23Å; A153-Y161 VanDerWaalsContact CA-O 3.27Å; A153-Y161 WeakPolarHBondContact CA-O 3.33Å; A153-L162 HydrophobicContact CB-CD2 3.51Å; A153-V342 HydrophobicContact CB-CG2 3.9Å; A153-V350 WeakPolarHBondContact O-CA 3.39Å; A153-H351 PolarHBondContact N-O 3.31Å; A153-H351 PolarHBondContact O-N 3.27Å; A153-F353 HydrophobicContact CB-CD2 4Å; A153-F353 HydrophobicContact CB-CE2 3.58Å
154S98.8Very high98.3Very high0 Ų033.9 Ų33.90%016%0.157CC..EExtended strand (participates in β ladder)trans-134137.6173.9-63.90000108.9Y161 L349S154-Y161 PolarHBondContact N-O 3.36Å; S154-Y161 PolarHBondContact O-N 2.98Å; S154-L349 WeakPolarHBondContact CB-O 3.41Å; S154-L349 PolarHBondContact OG-O 3.05Å
155R98.8Very high98.3Very high32 Ų3234.2 Ų34.212%0.12116%0.161CC..EExtended strand (participates in β ladder)trans-96.7131.8170.7-175.8-177.3-56.3-77.10108.6G158 T159 Q339 V342 D345 D346R155-G158 WeakPolarHBondContact CG-O 3.4Å; R155-G158 PolarHBondContact NH1-O 3.42Å; R155-T159 VanDerWaalsContact CA-O 3.31Å; R155-T159 WeakPolarHBondContact CA-O 3.42Å; R155-Q339 VanDerWaalsContact CZ-OE1 3.27Å; R155-Q339 PolarHBondContact NH2-O 3.25Å; R155-V342 HydrophobicContact CB-CG1 3.79Å; R155-V342 VanDerWaalsContact CZ-O 3.28Å; R155-V342 PolarHBondContact NE-O 3.42Å; R155-V342 PolarHBondContact NH2-O 2.91Å; R155-D345 HydrophobicContact CG-CB 4.47Å; R155-D346 CarbonylContact O-C 3.58Å; R155-D346 PolarHBondContact O-N 2.95Å
156F98.3Very high98.3Very high9 Ų926.9 Ų26.94%0.03914%0.135CC..EExtended strand (participates in β ladder)trans-145.3121.2176.8173-123.7000110.3G158 T159 Y161 D345 P347 L374 Y378 V379 M382F156-G158 VanDerWaalsContact C-N 3.33Å; F156-G158 PolarHBondContact O-N 3.24Å; F156-T159 PolarHBondContact N-O 3.36Å; F156-T159 WeakPolarHBondContact O-CB 3.47Å; F156-T159 PolarHBondContact O-N 2.93Å; F156-Y161 HydrophobicContact CB-CD2 4.35Å; F156-Y161 HydrophobicContact CB-CE2 3.91Å; F156-Y161 HydrophobicContact CD1-CE2 4.32Å; F156-D345 VanDerWaalsContact CA-OD1 3.28Å; F156-D345 WeakPolarHBondContact CA-OD1 3.23Å; F156-P347 HydrophobicContact CB-CB 4.12Å; F156-P347 HydrophobicContact CD2-CB 3.95Å; F156-P347 HydrophobicContact CD2-CG 3.84Å; F156-P347 HydrophobicContact CE2-CG 4.2Å; F156-P347 HydrophobicContact CG-CB 4.02Å; F156-P347 HydrophobicContact CG-CG 4.43Å; F156-L374 HydrophobicContact CB-CD1 3.65Å; F156-L374 HydrophobicContact CD1-CD1 4.23Å; F156-L374 HydrophobicContact CG-CD1 4.19Å; F156-Y378 HydrophobicContact CD1-CD1 4.38Å; F156-Y378 AromaticContact CD1-CE1 3.95Å; F156-Y378 HydrophobicContact CD1-CE1 3.95Å; F156-Y378 HydrophobicContact CE1-CD1 4.18Å; F156-Y378 AromaticContact CE1-CE1 3.95Å; F156-Y378 HydrophobicContact CE1-CE1 3.95Å; F156-V379 HydrophobicContact CE1-CG2 4.39Å; F156-V379 HydrophobicContact CE2-CG1 4.04Å; F156-V379 HydrophobicContact CZ-CB 4.27Å; F156-V379 HydrophobicContact CZ-CG1 3.92Å; F156-V379 HydrophobicContact CZ-CG2 4.45Å; F156-M382 HydrophobicContact CE1-CB 3.63Å; F156-M382 HydrophobicContact CE1-CG 4.07Å; F156-M382 HydrophobicContact CZ-CB 3.82Å
157Q96.3Very high98.4Very high49 Ų4920 Ų2023%0.22910%0.104CC..THydrogen-bonded Turntrans51.749.9-173.7-61.3-174.4-15.900112.3A125 T159 D345 M382A125-Q157 WeakPolarHBondContact CA-O 3.22Å; A125-Q157 WeakPolarHBondContact CB-O 3.32Å; Q157-T159 PolarHBondContact O-N 3.46Å; Q157-D345 PolarHBondContact N-OD1 3.03Å; Q157-D345 PolarHBondContact N-OD2 3.44Å; Q157-D345 VanDerWaalsContact N-OD2 3.14Å; Q157-M382 PolarHBondContact NE2-O 2.83Å
158G97Very high98.4Very high19 Ų1920 Ų2020%0.19611%0.113CC..THydrogen-bonded Turntrans77.8-35.8-176.600000114A125 R155 F156 D345A125-G158 CarbonylContact O-C 2.89Å; A125-G158 VanDerWaalsContact O-CA 3.26Å; A125-G158 WeakPolarHBondContact O-CA 3.09Å; R155-G158 WeakPolarHBondContact CG-O 3.4Å; R155-G158 PolarHBondContact NH1-O 3.42Å; F156-G158 VanDerWaalsContact C-N 3.33Å; F156-G158 PolarHBondContact O-N 3.24Å; G158-D345 PolarHBondContact N-OD2 3.45Å
159T98.4Very high98.3Very high2 Ų223.1 Ų23.11%0.01213%0.126CC..EExtended strand (participates in β ladder)trans-64.5132.3-175.2-45.40000111L124 A125 V129 R155 F156 Q157 Y161L124-T159 HydrophobicContact CD1-CG2 4.07Å; L124-T159 HydrophobicContact CG-CG2 4.32Å; L124-T159 WeakPolarHBondContact O-CG2 3.15Å; L124-T159 PolarHBondContact O-OG1 3.43Å; A125-T159 PolarHBondContact O-N 2.87Å; V129-T159 HydrophobicContact CB-CG2 4.33Å; V129-T159 HydrophobicContact CG2-CG2 3.51Å; R155-T159 VanDerWaalsContact CA-O 3.31Å; R155-T159 WeakPolarHBondContact CA-O 3.42Å; F156-T159 PolarHBondContact N-O 3.36Å; F156-T159 WeakPolarHBondContact O-CB 3.47Å; F156-T159 PolarHBondContact O-N 2.93Å; Q157-T159 PolarHBondContact O-N 3.46Å; T159-Y161 HydrophobicContact CG2-CD2 4.23Å; T159-Y161 HydrophobicContact CG2-CE1 4.16Å; T159-Y161 HydrophobicContact CG2-CE2 3.65Å; T159-Y161 WeakPolarHBondContact O-CD2 3.48Å
160L98.8Very high98.2Very high0 Ų024.6 Ų24.60%014%0.14CC..EExtended strand (participates in β ladder)trans-94.3118.6173.6-17867.2000109.8A127 I128 V129 A153 L162 A338 Q339 V342A127-L160 PolarHBondContact O-N 2.89Å; A127-L160 VanDerWaalsContact O-N 3.09Å; I128-L160 CarbonylContact C-O 3.55Å; I128-L160 VanDerWaalsContact CA-O 3.22Å; I128-L160 WeakPolarHBondContact CA-O 3.26Å; I128-L160 HydrophobicContact CD1-CD2 4.29Å; I128-L160 HydrophobicContact CG1-CB 4.26Å; I128-L160 HydrophobicContact CG1-CD2 4.31Å; I128-L160 HydrophobicContact CG2-CD2 4.49Å; V129-L160 PolarHBondContact N-O 2.59Å; A153-L160 HydrophobicContact CB-CD1 4.23Å; L160-L162 HydrophobicContact CD2-CD2 4.33Å; L160-L162 HydrophobicContact CG-CD2 4.25Å; L160-A338 HydrophobicContact CD2-CB 4.04Å; L160-Q339 HydrophobicContact CD2-CG 3.94Å; L160-V342 HydrophobicContact CD1-CB 3.93Å; L160-V342 HydrophobicContact CD1-CG1 4.05Å; L160-V342 HydrophobicContact CD1-CG2 4.02Å
161Y98.9Very high98.2Very high0 Ų027.6 Ų27.60%015%0.149CC..EExtended strand (participates in β ladder)trans-99.9136.5176-59.2-99.1000109.7L103 L107 L110 V129 A153 S154 F156 T159 L374 Y378L103-Y161 HydrophobicContact CD1-CD1 4.37Å; L107-Y161 HydrophobicContact CD2-CD1 3.9Å; L107-Y161 HydrophobicContact CD2-CE1 3.65Å; L110-Y161 HydrophobicContact CD2-CE1 4.26Å; V129-Y161 HydrophobicContact CB-CD1 3.6Å; V129-Y161 HydrophobicContact CB-CE1 3.82Å; V129-Y161 HydrophobicContact CB-CG 4.37Å; V129-Y161 HydrophobicContact CG1-CD1 3.78Å; V129-Y161 HydrophobicContact CG1-CE1 3.94Å; V129-Y161 HydrophobicContact CG2-CD1 4.28Å; V129-Y161 HydrophobicContact CG2-CE1 4.01Å; V129-Y161 WeakPolarHBondContact O-CA 3.39Å; A153-Y161 VanDerWaalsContact CA-O 3.27Å; A153-Y161 WeakPolarHBondContact CA-O 3.33Å; S154-Y161 PolarHBondContact N-O 3.36Å; S154-Y161 PolarHBondContact O-N 2.98Å; F156-Y161 HydrophobicContact CB-CD2 4.35Å; F156-Y161 HydrophobicContact CB-CE2 3.91Å; F156-Y161 HydrophobicContact CD1-CE2 4.32Å; T159-Y161 HydrophobicContact CG2-CD2 4.23Å; T159-Y161 HydrophobicContact CG2-CE1 4.16Å; T159-Y161 HydrophobicContact CG2-CE2 3.65Å; T159-Y161 WeakPolarHBondContact O-CD2 3.48Å; Y161-L374 HydrophobicContact CD1-CD2 3.91Å; Y161-L374 HydrophobicContact CD2-CD1 3.93Å; Y161-L374 HydrophobicContact CD2-CD2 4.17Å; Y161-L374 HydrophobicContact CE1-CD2 4.35Å; Y161-L374 HydrophobicContact CE2-CD1 4.27Å; Y161-L374 HydrophobicContact CG-CD1 4.37Å; Y161-L374 HydrophobicContact CG-CD2 3.83Å; Y161-Y378 HydrophobicContact CE1-CE1 4.11Å; Y161-Y378 AromaticContact CZ-CE1 3.9Å; Y161-Y378 PolarHBondContact OH-OH 2.91Å
162L98.9Very high98.1Very high1 Ų130.1 Ų30.11%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-121.1120.1174.5-55.3176.4000109.4I128 V129 T130 H134 A152 A153 L160 F334 L335I128-L162 HydrophobicContact CG2-CD1 3.74Å; I128-L162 HydrophobicContact CG2-CG 3.94Å; V129-L162 PolarHBondContact O-N 3.41Å; T130-L162 WeakPolarHBondContact CB-O 3.38Å; T130-L162 PolarHBondContact OG1-O 2.68Å; H134-L162 PolarHBondContact CD2-O 3.43Å; A152-L162 WeakPolarHBondContact O-CA 3.14Å; A153-L162 HydrophobicContact CB-CD2 3.51Å; L160-L162 HydrophobicContact CD2-CD2 4.33Å; L160-L162 HydrophobicContact CG-CD2 4.25Å; L162-F334 HydrophobicContact CD1-CE1 4.11Å; L162-L335 HydrophobicContact CD1-CD2 4.09Å
163S98.9Very high98Very high2 Ų234.5 Ų34.51%0.01419%0.191CC..EExtended strand (participates in β ladder)trans-123.8130.5176.9-174.70000110A152A152-S163 WeakPolarHBondContact CB-O 3.39Å; A152-S163 PolarHBondContact N-O 3.01Å; A152-S163 PolarHBondContact O-N 3.34Å
164E98.7Very high97.9Very high49 Ų4935.6 Ų35.623%0.22920%0.195CC..EExtended strand (participates in β ladder)trans-65.6144.7174.2177.4156.8-132.700112H134 K137 Q150 L151H134-E164 PolarHBondContact CD2-N 3.5Å; H134-E164 VanDerWaalsContact CD2-N 3.28Å; H134-E164 WeakPolarHBondContact CE1-CB 3.42Å; H134-E164 IonicContact ND1-OE2 3.29Å; H134-E164 PolarHBondContact NE2-N 3.47Å; K137-E164 VanDerWaalsContact CD-OE1 3.27Å; K137-E164 WeakPolarHBondContact CD-OE1 3.48Å; K137-E164 WeakPolarHBondContact CE-OE1 3.38Å; K137-E164 IonicContact NZ-OE1 3.4Å; K137-E164 PolarHBondContact NZ-OE1 3.21Å; K137-E164 IonicContact NZ-OE2 3.73Å; K137-E164 PolarHBondContact NZ-OE2 2.87Å; Q150-E164 WeakPolarHBondContact O-CA 3.37Å; L151-E164 HydrophobicContact CD2-CB 4.01Å
165V98.6Very high97.8Very high33 Ų3340.3 Ų40.320%0.222%0.22CC..EExtended strand (participates in β ladder)trans-116.1127.4170.5-179.80000107.8Q150 A152 T167 L352 Y371Q150-V165 HydrophobicContact CB-CB 3.98Å; Q150-V165 PolarHBondContact O-N 3.15Å; A152-V165 HydrophobicContact CB-CG2 3.72Å; V165-T167 PolarHBondContact O-N 2.83Å; V165-L352 HydrophobicContact CB-CD1 4.26Å; V165-L352 HydrophobicContact CG2-CD1 3.81Å; V165-Y371 HydrophobicContact CG1-CD1 4.45Å; V165-Y371 HydrophobicContact CG1-CE1 4.32Å; V165-Y371 HydrophobicContact CG2-CD1 4.45Å
166E98.3Very high97.7Very high51 Ų5142.4 Ų42.424%0.23824%0.244CC..  trans-63121.2174.7-177.5175.6-124.800110.1A170 R171 R174E166-A170 HydrophobicContact CG-CB 4.03Å; E166-R171 VanDerWaalsContact CD-CA 3.49Å; E166-R171 HydrophobicContact CG-CB 3.93Å; E166-R171 WeakPolarHBondContact OE2-CB 3.3Å; E166-R171 WeakPolarHBondContact OE2-CG 3.37Å; E166-R171 IonicContact OE2-NH1 3.76Å; E166-R174 IonicContact OE1-CZ 3.22Å; E166-R174 IonicContact OE1-NE 3.11Å; E166-R174 PolarHBondContact OE1-NE 3.26Å; E166-R174 IonicContact OE1-NH2 2.77Å; E166-R174 PolarHBondContact OE1-NH2 3.1Å; E166-R174 IonicContact OE2-CZ 3.42Å; E166-R174 IonicContact OE2-NE 3.62Å; E166-R174 IonicContact OE2-NH2 2.91Å; E166-R174 PolarHBondContact OE2-NH2 3.19Å
167T98Very high97.7Very high10 Ų1043.6 Ų43.66%0.06125%0.248CC..  trans-70.2154.5178.274.60000110.7Q150 V165 N169 A170 R171Q150-T167 HydrophobicContact CB-CG2 4.31Å; Q150-T167 HydrophobicContact CG-CG2 3.94Å; V165-T167 PolarHBondContact O-N 2.83Å; T167-N169 PolarHBondContact O-N 2.71Å; T167-A170 PolarHBondContact O-N 2.91Å; T167-A170 VanDerWaalsContact O-N 3.09Å; T167-A170 WeakPolarHBondContact OG1-CB 3.44Å; T167-A170 PolarHBondContact OG1-N 3.45Å; T167-A170 VanDerWaalsContact OG1-N 3.07Å; T167-R171 PolarHBondContact O-N 3.19Å
168P97.1Very high97.7Very high105 Ų10544.8 Ų44.868%0.68226%0.26SS*.Hα-helixtrans-54.3-37.4175.9-27.935.5000113.5A172P168-A172 WeakPolarHBondContact O-CB 3.2Å; P168-A172 PolarHBondContact O-N 3.3Å
169N96.6Very high97.7Very high80 Ų8048.8 Ų48.843%0.42828%0.282SS..Hα-helixtrans-68.7-45.2176.4-174.637.4000111.8T167 R171 A172 Q173T167-N169 PolarHBondContact O-N 2.71Å; N169-R171 VanDerWaalsContact C-N 3.34Å; N169-R171 PolarHBondContact O-N 2.84Å; N169-A172 PolarHBondContact O-N 3.06Å; N169-Q173 PolarHBondContact ND2-NE2 3.48Å; N169-Q173 WeakPolarHBondContact O-CG 3.38Å; N169-Q173 PolarHBondContact O-N 2.78Å; N169-Q173 PolarHBondContact OD1-NE2 3.25Å
170A97.4Very high97.6Very high36 Ų3653.8 Ų53.830%0.29831%0.309SS..Hα-helixtrans-60.8-42.8176.600000111.7E166 T167 Q173 R174E166-A170 HydrophobicContact CG-CB 4.03Å; T167-A170 PolarHBondContact O-N 2.91Å; T167-A170 VanDerWaalsContact O-N 3.09Å; T167-A170 WeakPolarHBondContact OG1-CB 3.44Å; T167-A170 PolarHBondContact OG1-N 3.45Å; T167-A170 VanDerWaalsContact OG1-N 3.07Å; A170-Q173 PolarHBondContact O-N 3.23Å; A170-R174 WeakPolarHBondContact O-CB 3.31Å; A170-R174 PolarHBondContact O-N 2.9Å
171R97.3Very high97.4Very high100 Ų10057.8 Ų57.838%0.37733%0.329SS..Hα-helixtrans-59.4-48.5173.9-174.7169.8177.179.84.8111.6E98 E166 T167 N169 Q173 R174 L175E98-R171 IonicContact OE1-CZ 2.74Å; E98-R171 IonicContact OE1-NH1 2.54Å; E98-R171 PolarHBondContact OE1-NH1 3.23Å; E98-R171 IonicContact OE1-NH2 2.8Å; E98-R171 IonicContact OE2-CZ 2.6Å; E98-R171 IonicContact OE2-NH1 2.73Å; E98-R171 PolarHBondContact OE2-NH1 3.38Å; E98-R171 VanDerWaalsContact OE2-NH1 3.11Å; E98-R171 IonicContact OE2-NH2 3.99Å; E98-R171 PolarHBondContact OE2-NH2 3.31Å; E166-R171 VanDerWaalsContact CD-CA 3.49Å; E166-R171 HydrophobicContact CG-CB 3.93Å; E166-R171 WeakPolarHBondContact OE2-CB 3.3Å; E166-R171 WeakPolarHBondContact OE2-CG 3.37Å; E166-R171 IonicContact OE2-NH1 3.76Å; T167-R171 PolarHBondContact O-N 3.19Å; N169-R171 VanDerWaalsContact C-N 3.34Å; N169-R171 PolarHBondContact O-N 2.84Å; R171-Q173 VanDerWaalsContact C-N 3.34Å; R171-Q173 PolarHBondContact O-N 3Å; R171-R174 PolarHBondContact O-N 2.7Å; R171-L175 HydrophobicContact CG-CD1 4.06Å; R171-L175 HydrophobicContact CG-CG 4.42Å; R171-L175 WeakPolarHBondContact O-CG 3.44Å; R171-L175 PolarHBondContact O-N 2.88Å
172A97.6Very high97.3Very high54 Ų5462.6 Ų62.645%0.44635%0.348SS..Hα-helixtrans-59.8-44178.200000111.9P168 N169 L175 A176P168-A172 WeakPolarHBondContact O-CB 3.2Å; P168-A172 PolarHBondContact O-N 3.3Å; N169-A172 PolarHBondContact O-N 3.06Å; A172-L175 PolarHBondContact O-N 2.92Å; A172-A176 VanDerWaalsContact O-CB 3.26Å; A172-A176 WeakPolarHBondContact O-CB 3Å; A172-A176 PolarHBondContact O-N 3.1Å
173Q96.4Very high97.3Very high93 Ų9364.3 Ų64.344%0.43536%0.356SS..Hα-helixtrans-64.6-38.5176.8-71.4178.45.300112.8N169 A170 R171 A176 R177N169-Q173 PolarHBondContact ND2-NE2 3.48Å; N169-Q173 WeakPolarHBondContact O-CG 3.38Å; N169-Q173 PolarHBondContact O-N 2.78Å; N169-Q173 PolarHBondContact OD1-NE2 3.25Å; A170-Q173 PolarHBondContact O-N 3.23Å; R171-Q173 VanDerWaalsContact C-N 3.34Å; R171-Q173 PolarHBondContact O-N 3Å; Q173-A176 CarbonylContact O-C 3.54Å; Q173-R177 WeakPolarHBondContact O-CA 3.47Å; Q173-R177 PolarHBondContact O-N 3.18Å
174R96.9Very high97.2Very high23 Ų2366.5 Ų66.59%0.08737%0.367CS..Hα-helixtrans-65.7-47.2175.9177.8167.863.369.27.3111.9E98 E166 A170 R171 A176 R177E98-R174 IonicContact OE1-CZ 3.59Å; E98-R174 VanDerWaalsContact OE1-CZ 3.24Å; E98-R174 IonicContact OE1-NH1 3.64Å; E98-R174 PolarHBondContact OE1-NH1 2.88Å; E98-R174 IonicContact OE1-NH2 3.65Å; E98-R174 PolarHBondContact OE1-NH2 2.8Å; E166-R174 IonicContact OE1-CZ 3.22Å; E166-R174 IonicContact OE1-NE 3.11Å; E166-R174 PolarHBondContact OE1-NE 3.26Å; E166-R174 IonicContact OE1-NH2 2.77Å; E166-R174 PolarHBondContact OE1-NH2 3.1Å; E166-R174 IonicContact OE2-CZ 3.42Å; E166-R174 IonicContact OE2-NE 3.62Å; E166-R174 IonicContact OE2-NH2 2.91Å; E166-R174 PolarHBondContact OE2-NH2 3.19Å; A170-R174 WeakPolarHBondContact O-CB 3.31Å; A170-R174 PolarHBondContact O-N 2.9Å; R171-R174 PolarHBondContact O-N 2.7Å; R174-A176 VanDerWaalsContact C-N 3.32Å; R174-A176 PolarHBondContact O-N 2.87Å; R174-R177 WeakPolarHBondContact O-CB 3.33Å; R174-R177 PolarHBondContact O-N 3.05Å
175L96.9Very high97.2Very high98 Ų9867 Ų6751%0.51337%0.37SS..Hα-helixtrans-64.1-39.1177.9-65.8176.2000111.5R171 A172 R177R171-L175 HydrophobicContact CG-CD1 4.06Å; R171-L175 HydrophobicContact CG-CG 4.42Å; R171-L175 WeakPolarHBondContact O-CG 3.44Å; R171-L175 PolarHBondContact O-N 2.88Å; A172-L175 PolarHBondContact O-N 2.92Å; L175-R177 VanDerWaalsContact C-N 3.29Å; L175-R177 PolarHBondContact O-N 2.83Å
176A97.1Very high97.2Very high76 Ų7665.4 Ų65.463%0.62836%0.36SS*.THydrogen-bonded Turntrans-87.314.5177.900000114.2A172 Q173 R174 P178A172-A176 VanDerWaalsContact O-CB 3.26Å; A172-A176 WeakPolarHBondContact O-CB 3Å; A172-A176 PolarHBondContact O-N 3.1Å; Q173-A176 CarbonylContact O-C 3.54Å; R174-A176 VanDerWaalsContact C-N 3.32Å; R174-A176 PolarHBondContact O-N 2.87Å; A176-P178 VanDerWaalsContact O-CD 3.29Å; A176-P178 WeakPolarHBondContact O-CD 3.21Å; A176-P178 VanDerWaalsContact O-N 3.15Å
177R96.7Very high97.2Very high34 Ų3463.1 Ų63.113%0.12835%0.35CS..  trans-57.8118.2-171.9-171.6-178.3-64.7140.5-6.1111.7E97 Q173 R174 L175 L181 R182 M185E97-R177 IonicContact OE1-CZ 3.85Å; E97-R177 IonicContact OE1-NH1 2.81Å; E97-R177 IonicContact OE1-NH2 3.4Å; E97-R177 PolarHBondContact OE1-NH2 2.8Å; E97-R177 IonicContact OE2-CZ 3.72Å; E97-R177 IonicContact OE2-NH1 2.7Å; E97-R177 PolarHBondContact OE2-NH1 2.89Å; E97-R177 IonicContact OE2-NH2 2.76Å; E97-R177 PolarHBondContact OE2-NH2 3.37Å; Q173-R177 WeakPolarHBondContact O-CA 3.47Å; Q173-R177 PolarHBondContact O-N 3.18Å; R174-R177 WeakPolarHBondContact O-CB 3.33Å; R174-R177 PolarHBondContact O-N 3.05Å; L175-R177 VanDerWaalsContact C-N 3.29Å; L175-R177 PolarHBondContact O-N 2.83Å; R177-L181 HydrophobicContact CG-CB 3.95Å; R177-L181 HydrophobicContact CG-CD2 3.91Å; R177-L181 HydrophobicContact CG-CG 3.95Å; R177-R182 HydrophobicContact CB-CG 4.44Å; R177-R182 HydrophobicContact CG-CG 3.94Å; R177-R182 PolarHBondContact O-NE 2.96Å; R177-M185 VanDerWaalsContact CD-SD 3.51Å; R177-M185 VanDerWaalsContact CZ-SD 3.52Å; R177-M185 PolarHBondContact NE-SD 3.4Å
178P97.2Very high97.3Very high74 Ų7463.5 Ų63.548%0.48136%0.356SS..  trans-60.7150.1-178.9-24.934.3000112.7A176 L180 L181 R182A176-P178 VanDerWaalsContact O-CD 3.29Å; A176-P178 WeakPolarHBondContact O-CD 3.21Å; A176-P178 VanDerWaalsContact O-N 3.15Å; P178-L180 VanDerWaalsContact C-N 3.28Å; P178-L180 PolarHBondContact O-N 2.97Å; P178-L181 PolarHBondContact O-N 2.97Å; P178-R182 PolarHBondContact O-N 3.47Å; P178-R182 VanDerWaalsContact O-N 3.16Å
179P96.8Very high97.3Very high103 Ų10362 Ų6267%0.66934%0.337SS*.Hα-helixtrans-52.6-42.3178.1-28.635.4000113.8L181 R182 E183P179-L181 VanDerWaalsContact C-N 3.29Å; P179-L181 PolarHBondContact O-N 2.77Å; P179-R182 WeakPolarHBondContact O-CB 3.41Å; P179-R182 PolarHBondContact O-N 2.86Å; P179-R182 VanDerWaalsContact O-N 3.16Å; P179-E183 PolarHBondContact O-N 3.13Å
180L96Very high97.4Very high108 Ų10858.2 Ų58.257%0.56532%0.317SS*.Hα-helixtrans-59.1-38.6176.7178.363.8000112.3P178 L184P178-L180 VanDerWaalsContact C-N 3.28Å; P178-L180 PolarHBondContact O-N 2.97Å; L180-L184 HydrophobicContact CG-CD1 4.29Å; L180-L184 WeakPolarHBondContact O-CB 3.48Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 2.97Å
181L96.1Very high97.5Very high83 Ų8356.6 Ų56.644%0.43530%0.303SS..Hα-helixtrans-73.2-33.1179.7-174.356.1000111.5R177 P178 P179 L184 M185R177-L181 HydrophobicContact CG-CB 3.95Å; R177-L181 HydrophobicContact CG-CD2 3.91Å; R177-L181 HydrophobicContact CG-CG 3.95Å; P178-L181 PolarHBondContact O-N 2.97Å; P179-L181 VanDerWaalsContact C-N 3.29Å; P179-L181 PolarHBondContact O-N 2.77Å; L181-L184 HydrophobicContact CD1-CD1 4.47Å; L181-L184 PolarHBondContact O-N 2.94Å; L181-M185 WeakPolarHBondContact O-CG 2.97Å; L181-M185 PolarHBondContact O-N 3.05Å
182R96.7Very high97.6Very high102 Ų10252.9 Ų52.939%0.38529%0.29SS..Hα-helixtrans-63.9-44.7172.9-65.9174.8-176.9-96.8-0.7111.5R177 P178 P179 M185 Y186R177-R182 HydrophobicContact CB-CG 4.44Å; R177-R182 HydrophobicContact CG-CG 3.94Å; R177-R182 PolarHBondContact O-NE 2.96Å; P178-R182 PolarHBondContact O-N 3.47Å; P178-R182 VanDerWaalsContact O-N 3.16Å; P179-R182 WeakPolarHBondContact O-CB 3.41Å; P179-R182 PolarHBondContact O-N 2.86Å; P179-R182 VanDerWaalsContact O-N 3.16Å; R182-M185 WeakPolarHBondContact O-CB 3.32Å; R182-M185 PolarHBondContact O-N 2.91Å; R182-Y186 PolarHBondContact O-N 2.94Å; R182-Y186 VanDerWaalsContact O-N 3.11Å
183E98.2Very high97.6Very high36 Ų3651.3 Ų51.317%0.16827%0.273CS..Hα-helixtrans-62.2-42.8174.1-171.8-173.1-167.700111.2R85 Y88 P179 M185 Y186 M187R85-E183 VanDerWaalsContact CD-OE1 3.24Å; R85-E183 WeakPolarHBondContact CD-OE1 3.49Å; R85-E183 WeakPolarHBondContact CG-OE1 3.37Å; R85-E183 IonicContact CZ-OE1 2.73Å; R85-E183 IonicContact NE-OE1 3.11Å; R85-E183 PolarHBondContact NE-OE1 3.45Å; Y88-E183 HydrophobicContact CD1-CB 4.39Å; Y88-E183 HydrophobicContact CD1-CG 4.02Å; Y88-E183 HydrophobicContact CE1-CB 3.96Å; Y88-E183 HydrophobicContact CE1-CG 4.08Å; Y88-E183 HydrophobicContact CG-CG 4.5Å; P179-E183 PolarHBondContact O-N 3.13Å; E183-M185 VanDerWaalsContact C-N 3.28Å; E183-M185 PolarHBondContact O-N 2.75Å; E183-Y186 WeakPolarHBondContact O-CB 3.25Å; E183-Y186 PolarHBondContact O-N 2.79Å; E183-Y186 VanDerWaalsContact O-N 3.16Å; E183-M187 HydrophobicContact CG-SD 4.28Å; E183-M187 WeakPolarHBondContact O-CG 3.37Å; E183-M187 PolarHBondContact O-N 3.18Å
184L97.8Very high97.7Very high49 Ų4948.3 Ų48.326%0.25726%0.259SS..Hα-helixtrans-62-33.1176.1-73.8173.6000113.7L180 L181 M187 G188L180-L184 HydrophobicContact CG-CD1 4.29Å; L180-L184 WeakPolarHBondContact O-CB 3.48Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 2.97Å; L181-L184 HydrophobicContact CD1-CD1 4.47Å; L181-L184 PolarHBondContact O-N 2.94Å; L184-M187 HydrophobicContact CD2-SD 3.88Å; L184-G188 PolarHBondContact O-N 3.16Å
185M98Very high97.8Very high58 Ų5847.2 Ų47.229%0.28625%0.254SS..Hα-helixtrans-67.1-47.6172.8-69.3168.76700110.7R177 L181 R182 E183 M187 G188 Y189R177-M185 VanDerWaalsContact CD-SD 3.51Å; R177-M185 VanDerWaalsContact CZ-SD 3.52Å; R177-M185 PolarHBondContact NE-SD 3.4Å; L181-M185 WeakPolarHBondContact O-CG 2.97Å; L181-M185 PolarHBondContact O-N 3.05Å; R182-M185 WeakPolarHBondContact O-CB 3.32Å; R182-M185 PolarHBondContact O-N 2.91Å; E183-M185 VanDerWaalsContact C-N 3.28Å; E183-M185 PolarHBondContact O-N 2.75Å; M185-M187 VanDerWaalsContact C-N 3.31Å; M185-M187 PolarHBondContact O-N 2.91Å; M185-G188 PolarHBondContact O-N 2.78Å; M185-G188 VanDerWaalsContact O-N 3.1Å; M185-Y189 VanDerWaalsContact O-CD2 3.31Å; M185-Y189 WeakPolarHBondContact O-CD2 3.39Å; M185-Y189 PolarHBondContact O-N 3.02Å
186Y98.6Very high97.9Very high0 Ų042.8 Ų42.80%023%0.232CC..Hα-helixtrans-53.6-48.7174173.3-94000111.7L84 D86 G87 Y88 Y92 R182 E183 G188 Y189 K190 V210L84-Y186 WeakPolarHBondContact O-CD1 3.36Å; L84-Y186 VanDerWaalsContact O-CE1 3.28Å; L84-Y186 WeakPolarHBondContact O-CE1 3.25Å; D86-Y186 PolarHBondContact O-OH 3.43Å; G87-Y186 WeakPolarHBondContact CA-OH 3.42Å; Y88-Y186 HydrophobicContact CD2-CD1 4.05Å; Y88-Y186 AromaticContact CD2-CD2 3.9Å; Y88-Y186 HydrophobicContact CD2-CD2 3.9Å; Y88-Y186 AromaticContact CD2-CG 3.61Å; Y88-Y186 HydrophobicContact CD2-CG 3.61Å; Y88-Y186 HydrophobicContact CE2-CG 4.46Å; Y88-Y186 HydrophobicContact CG-CD1 4.2Å; Y88-Y186 HydrophobicContact CG-CG 4.23Å; Y92-Y186 AromaticContact CD1-CD2 3.97Å; Y92-Y186 HydrophobicContact CD1-CD2 3.97Å; Y92-Y186 AromaticContact CD2-CD2 3.46Å; Y92-Y186 HydrophobicContact CD2-CD2 3.46Å; Y92-Y186 VanDerWaalsContact CD2-CD2 3.46Å; Y92-Y186 AromaticContact CD2-CE2 3.97Å; Y92-Y186 HydrophobicContact CD2-CE2 3.97Å; Y92-Y186 HydrophobicContact CE1-CD2 4.42Å; Y92-Y186 AromaticContact CE2-CD2 3.95Å; Y92-Y186 HydrophobicContact CE2-CD2 3.95Å; Y92-Y186 AromaticContact CG-CD2 3.46Å; Y92-Y186 HydrophobicContact CG-CD2 3.46Å; Y92-Y186 VanDerWaalsContact CG-CD2 3.46Å; Y92-Y186 AromaticContact CG-CE2 3.95Å; Y92-Y186 HydrophobicContact CG-CE2 3.95Å; Y92-Y186 HydrophobicContact CG-CG 4.49Å; R182-Y186 PolarHBondContact O-N 2.94Å; R182-Y186 VanDerWaalsContact O-N 3.11Å; E183-Y186 WeakPolarHBondContact O-CB 3.25Å; E183-Y186 PolarHBondContact O-N 2.79Å; E183-Y186 VanDerWaalsContact O-N 3.16Å; Y186-G188 PolarHBondContact O-N 2.72Å; Y186-G188 VanDerWaalsContact O-N 3.12Å; Y186-Y189 PolarHBondContact O-N 3.26Å; Y186-Y189 VanDerWaalsContact O-N 3.08Å; Y186-K190 HydrophobicContact CD1-CB 4.15Å; Y186-K190 HydrophobicContact CE1-CB 3.78Å; Y186-K190 HydrophobicContact CE1-CD 4.27Å; Y186-K190 HydrophobicContact CE1-CG 3.94Å; Y186-K190 WeakPolarHBondContact O-CB 3.44Å; Y186-K190 PolarHBondContact O-N 3.3Å; Y186-V210 HydrophobicContact CD2-CB 4.19Å; Y186-V210 HydrophobicContact CD2-CG1 4.23Å; Y186-V210 HydrophobicContact CD2-CG2 4.39Å; Y186-V210 HydrophobicContact CE2-CB 3.62Å; Y186-V210 HydrophobicContact CE2-CG1 4.14Å; Y186-V210 HydrophobicContact CE2-CG2 3.56Å
187M98.7Very high97.9Very high3 Ų339.4 Ų39.42%0.01520%0.203CC..Hα-helixtrans-57.7-28.9-179.7-70.2170.781.200113L84 E183 L184 M185 F191 G298L84-M187 HydrophobicContact CB-CB 3.75Å; L84-M187 HydrophobicContact CB-CE 3.8Å; L84-M187 HydrophobicContact CB-CG 3.71Å; L84-M187 HydrophobicContact CD1-CB 4.05Å; L84-M187 HydrophobicContact CD1-CE 4.08Å; L84-M187 HydrophobicContact CG-CE 4.5Å; L84-M187 WeakPolarHBondContact O-CG 3.3Å; E183-M187 HydrophobicContact CG-SD 4.28Å; E183-M187 WeakPolarHBondContact O-CG 3.37Å; E183-M187 PolarHBondContact O-N 3.18Å; L184-M187 HydrophobicContact CD2-SD 3.88Å; M185-M187 VanDerWaalsContact C-N 3.31Å; M185-M187 PolarHBondContact O-N 2.91Å; M187-F191 WeakPolarHBondContact O-CB 3.44Å; M187-F191 PolarHBondContact O-N 3.14Å; M187-F191 VanDerWaalsContact O-N 3.1Å; M187-G298 VanDerWaalsContact CE-CA 3.42Å
188G98.5Very high98Very high19 Ų1944.1 Ų44.120%0.19623%0.231CC..Hα-helixtrans-64-56.3172.400000111.9L184 M185 Y186 K190 F191 E192L184-G188 PolarHBondContact O-N 3.16Å; M185-G188 PolarHBondContact O-N 2.78Å; M185-G188 VanDerWaalsContact O-N 3.1Å; Y186-G188 PolarHBondContact O-N 2.72Å; Y186-G188 VanDerWaalsContact O-N 3.12Å; G188-K190 VanDerWaalsContact C-N 3.32Å; G188-K190 PolarHBondContact O-N 3Å; G188-F191 WeakPolarHBondContact O-CB 3.44Å; G188-F191 PolarHBondContact O-N 2.81Å; G188-E192 PolarHBondContact O-N 2.86Å
189Y98.6Very high97.9Very high74 Ų7447.6 Ų47.629%0.2924%0.239SC..Hα-helixtrans-65.4-35.2178.2-65.5-73.5000112.8M185 Y186 F191 E192 Q193 V210 T212M185-Y189 VanDerWaalsContact O-CD2 3.31Å; M185-Y189 WeakPolarHBondContact O-CD2 3.39Å; M185-Y189 PolarHBondContact O-N 3.02Å; Y186-Y189 PolarHBondContact O-N 3.26Å; Y186-Y189 VanDerWaalsContact O-N 3.08Å; Y189-F191 VanDerWaalsContact C-N 3.29Å; Y189-F191 PolarHBondContact O-N 2.82Å; Y189-E192 WeakPolarHBondContact O-CB 3.4Å; Y189-E192 PolarHBondContact O-N 3.04Å; Y189-E192 VanDerWaalsContact O-N 3.15Å; Y189-Q193 PolarHBondContact O-N 3.36Å; Y189-Q193 VanDerWaalsContact O-N 3.13Å; Y189-V210 VanDerWaalsContact CB-CG1 3.43Å; Y189-V210 HydrophobicContact CG-CG1 4.34Å; Y189-T212 HydrophobicContact CD1-CG2 3.85Å; Y189-T212 HydrophobicContact CD2-CG2 3.39Å; Y189-T212 HydrophobicContact CE1-CG2 3.86Å; Y189-T212 HydrophobicContact CE2-CG2 3.4Å; Y189-T212 VanDerWaalsContact CE2-CG2 3.4Å; Y189-T212 HydrophobicContact CG-CG2 3.61Å
190K98.7Very high97.8Very high0 Ų046.5 Ų46.50%023%0.232CC..Hα-helixtrans-63.1-37175.1-175.161.2177.1-157.80111.6D86 Y186 G188 E192 Q193 Y194 P206 V210D86-K190 WeakPolarHBondContact O-CE 3.48Å; D86-K190 PolarHBondContact O-NZ 3.13Å; D86-K190 IonicContact OD2-NZ 2.88Å; D86-K190 PolarHBondContact OD2-NZ 2.84Å; Y186-K190 HydrophobicContact CD1-CB 4.15Å; Y186-K190 HydrophobicContact CE1-CB 3.78Å; Y186-K190 HydrophobicContact CE1-CD 4.27Å; Y186-K190 HydrophobicContact CE1-CG 3.94Å; Y186-K190 WeakPolarHBondContact O-CB 3.44Å; Y186-K190 PolarHBondContact O-N 3.3Å; G188-K190 VanDerWaalsContact C-N 3.32Å; G188-K190 PolarHBondContact O-N 3Å; K190-E192 VanDerWaalsContact C-N 3.29Å; K190-E192 PolarHBondContact O-N 3.2Å; K190-Q193 HydrophobicContact CD-CB 4.48Å; K190-Q193 VanDerWaalsContact CD-OE1 3.25Å; K190-Q193 WeakPolarHBondContact O-CB 3.42Å; K190-Q193 PolarHBondContact O-N 3.21Å; K190-Q193 VanDerWaalsContact O-N 3.15Å; K190-Y194 HydrophobicContact CD-CD2 4.49Å; K190-Y194 HydrophobicContact CD-CE2 4.05Å; K190-Y194 VanDerWaalsContact CE-CE2 3.47Å; K190-Y194 HydrophobicContact CG-CD2 4.17Å; K190-Y194 HydrophobicContact CG-CE2 3.79Å; K190-Y194 WeakPolarHBondContact O-CD2 3.26Å; K190-Y194 PolarHBondContact O-N 2.77Å; K190-P206 PolarHBondContact NZ-O 3.06Å; K190-V210 HydrophobicContact CB-CG2 4.4Å; K190-V210 HydrophobicContact CD-CG2 3.96Å
191F98.8Very high97.6Very high1 Ų145.1 Ų45.10%0.00424%0.243CC..Hα-helixtrans-61.4-39.1173.9174.3-114.1000111.9F82 L84 M187 G188 Y189 Q193 Y194 M195 L254 K255 T256 G292 V300 L303F82-F191 HydrophobicContact CD2-CD2 4.27Å; F82-F191 HydrophobicContact CD2-CE2 4.18Å; F82-F191 HydrophobicContact CE2-CE2 4.27Å; L84-F191 HydrophobicContact CD1-CB 4.5Å; L84-F191 HydrophobicContact CD2-CB 3.74Å; L84-F191 HydrophobicContact CD2-CD2 4.34Å; M187-F191 WeakPolarHBondContact O-CB 3.44Å; M187-F191 PolarHBondContact O-N 3.14Å; M187-F191 VanDerWaalsContact O-N 3.1Å; G188-F191 WeakPolarHBondContact O-CB 3.44Å; G188-F191 PolarHBondContact O-N 2.81Å; Y189-F191 VanDerWaalsContact C-N 3.29Å; Y189-F191 PolarHBondContact O-N 2.82Å; F191-Q193 VanDerWaalsContact C-N 3.31Å; F191-Q193 PolarHBondContact O-N 2.92Å; F191-Y194 PolarHBondContact O-N 2.97Å; F191-M195 HydrophobicContact CD2-CG 4.01Å; F191-M195 HydrophobicContact CE1-CG 4.13Å; F191-M195 HydrophobicContact CE2-CG 3.48Å; F191-M195 VanDerWaalsContact CE2-CG 3.48Å; F191-M195 HydrophobicContact CE2-SD 4.04Å; F191-M195 HydrophobicContact CZ-CG 3.56Å; F191-M195 HydrophobicContact CZ-SD 4.23Å; F191-M195 WeakPolarHBondContact O-CG 3.48Å; F191-M195 PolarHBondContact O-N 3.06Å; F191-L254 HydrophobicContact CD1-CB 4.25Å; F191-L254 HydrophobicContact CE1-CB 4.04Å; F191-K255 VanDerWaalsContact CE1-O 3.24Å; F191-K255 WeakPolarHBondContact CE1-O 3.21Å; F191-T256 HydrophobicContact CB-CG2 3.35Å; F191-T256 HydrophobicContact CD1-CG2 3.62Å; F191-T256 HydrophobicContact CD2-CG2 4.25Å; F191-T256 HydrophobicContact CE1-CG2 4.48Å; F191-T256 HydrophobicContact CG-CG2 3.47Å; F191-T256 VanDerWaalsContact CG-CG2 3.47Å; F191-G292 VanDerWaalsContact CZ-N 3.34Å; F191-V300 HydrophobicContact CD2-CG2 4.15Å; F191-V300 HydrophobicContact CE2-CG1 4.16Å; F191-V300 HydrophobicContact CE2-CG2 4.49Å; F191-L303 HydrophobicContact CE2-CD2 3.71Å; F191-L303 HydrophobicContact CZ-CD2 3.6Å
192E98.7Very high97.6Very high22 Ų2243.1 Ų43.110%0.10324%0.236CC..Hα-helixtrans-62-41.2174-56.7163.2-151.900111.3R68 G188 Y189 K190 Y194 M195 C196 L254R68-E192 IonicContact CZ-OE2 2.69Å; R68-E192 IonicContact NH2-OE2 2.97Å; R68-E192 PolarHBondContact NH2-OE2 3.2Å; G188-E192 PolarHBondContact O-N 2.86Å; Y189-E192 WeakPolarHBondContact O-CB 3.4Å; Y189-E192 PolarHBondContact O-N 3.04Å; Y189-E192 VanDerWaalsContact O-N 3.15Å; K190-E192 VanDerWaalsContact C-N 3.29Å; K190-E192 PolarHBondContact O-N 3.2Å; E192-Y194 PolarHBondContact O-N 2.87Å; E192-M195 CarbonylContact O-C 3.55Å; E192-M195 PolarHBondContact O-N 3.11Å; E192-C196 WeakPolarHBondContact O-CB 3.42Å; E192-C196 PolarHBondContact O-N 2.94Å; E192-C196 PolarHBondContact O-SG 2.85Å; E192-C196 VanDerWaalsContact O-SG 3.4Å; E192-L254 HydrophobicContact CB-CD1 4.09Å; E192-L254 HydrophobicContact CG-CB 4.16Å; E192-L254 HydrophobicContact CG-CD1 4.09Å
193Q98.5Very high97.5Very high21 Ų2143.2 Ų43.210%0.09825%0.253CS..Hα-helixtrans-59.9-31.2175.7-164.1-175.914.100112.9Y189 K190 F191 P204 D205 G208Y189-Q193 PolarHBondContact O-N 3.36Å; Y189-Q193 VanDerWaalsContact O-N 3.13Å; K190-Q193 HydrophobicContact CD-CB 4.48Å; K190-Q193 VanDerWaalsContact CD-OE1 3.25Å; K190-Q193 WeakPolarHBondContact O-CB 3.42Å; K190-Q193 PolarHBondContact O-N 3.21Å; K190-Q193 VanDerWaalsContact O-N 3.15Å; F191-Q193 VanDerWaalsContact C-N 3.31Å; F191-Q193 PolarHBondContact O-N 2.92Å; Q193-P204 WeakPolarHBondContact O-CB 3.32Å; Q193-D205 WeakPolarHBondContact CG-O 3.41Å; Q193-D205 PolarHBondContact NE2-O 3Å; Q193-G208 PolarHBondContact NE2-O 3.2Å
194Y98.6Very high97.5Very high31 Ų3143.2 Ų43.212%0.12226%0.256CS..Hα-helixtrans-79.7-18.7174.9-78.1-71.9000114.5F82 D83 L84 K190 F191 E192 P204 P206F82-Y194 HydrophobicContact CB-CD1 4.02Å; F82-Y194 HydrophobicContact CB-CD2 3.66Å; F82-Y194 HydrophobicContact CB-CE1 4.24Å; F82-Y194 HydrophobicContact CB-CE2 3.89Å; F82-Y194 HydrophobicContact CB-CG 3.72Å; F82-Y194 AromaticContact CD1-CD1 3.56Å; F82-Y194 HydrophobicContact CD1-CD1 3.56Å; F82-Y194 HydrophobicContact CD1-CE1 4.19Å; F82-Y194 AromaticContact CD1-CG 3.79Å; F82-Y194 HydrophobicContact CD1-CG 3.79Å; F82-Y194 HydrophobicContact CD2-CG 4.44Å; F82-Y194 HydrophobicContact CE1-CD1 4.23Å; F82-Y194 HydrophobicContact CE1-CG 4.46Å; F82-Y194 AromaticContact CG-CD1 3.99Å; F82-Y194 HydrophobicContact CG-CD1 3.99Å; F82-Y194 HydrophobicContact CG-CD2 4.19Å; F82-Y194 AromaticContact CG-CG 3.75Å; F82-Y194 HydrophobicContact CG-CG 3.75Å; D83-Y194 PolarHBondContact N-OH 3.23Å; D83-Y194 WeakPolarHBondContact O-CE2 3.44Å; D83-Y194 PolarHBondContact O-OH 3.06Å; L84-Y194 HydrophobicContact CD2-CD2 4.09Å; L84-Y194 HydrophobicContact CD2-CE2 4.29Å; K190-Y194 HydrophobicContact CD-CD2 4.49Å; K190-Y194 HydrophobicContact CD-CE2 4.05Å; K190-Y194 VanDerWaalsContact CE-CE2 3.47Å; K190-Y194 HydrophobicContact CG-CD2 4.17Å; K190-Y194 HydrophobicContact CG-CE2 3.79Å; K190-Y194 WeakPolarHBondContact O-CD2 3.26Å; K190-Y194 PolarHBondContact O-N 2.77Å; F191-Y194 PolarHBondContact O-N 2.97Å; E192-Y194 PolarHBondContact O-N 2.87Å; Y194-P204 VanDerWaalsContact O-CG 3.28Å; Y194-P204 WeakPolarHBondContact O-CG 3.49Å; Y194-P206 HydrophobicContact CD1-CB 3.83Å; Y194-P206 HydrophobicContact CD1-CG 4.18Å; Y194-P206 HydrophobicContact CE1-CB 3.43Å; Y194-P206 VanDerWaalsContact CE1-CB 3.43Å; Y194-P206 HydrophobicContact CE1-CG 3.78Å
195M98.6Very high97.5Very high0 Ų045.3 Ų45.30%027%0.267CS..Hα-helixtrans-111-3.4-173.3-67.7-63.4-60.400113Y70 S71 P72 F82 F191 E192 L254 V290 L303Y70-M195 HydrophobicContact CD2-CE 4.45Å; Y70-M195 HydrophobicContact CE2-CE 3.48Å; Y70-M195 VanDerWaalsContact CE2-CE 3.48Å; S71-M195 PolarHBondContact N-O 2.96Å; P72-M195 HydrophobicContact CB-CE 3.88Å; F82-M195 HydrophobicContact CE2-CG 4.37Å; F82-M195 HydrophobicContact CE2-SD 3.53Å; F82-M195 VanDerWaalsContact CE2-SD 3.53Å; F82-M195 HydrophobicContact CZ-SD 3.84Å; F191-M195 HydrophobicContact CD2-CG 4.01Å; F191-M195 HydrophobicContact CE1-CG 4.13Å; F191-M195 HydrophobicContact CE2-CG 3.48Å; F191-M195 VanDerWaalsContact CE2-CG 3.48Å; F191-M195 HydrophobicContact CE2-SD 4.04Å; F191-M195 HydrophobicContact CZ-CG 3.56Å; F191-M195 HydrophobicContact CZ-SD 4.23Å; F191-M195 WeakPolarHBondContact O-CG 3.48Å; F191-M195 PolarHBondContact O-N 3.06Å; E192-M195 CarbonylContact O-C 3.55Å; E192-M195 PolarHBondContact O-N 3.11Å; M195-L254 HydrophobicContact CB-CD1 3.78Å; M195-L254 HydrophobicContact CB-CD2 4.31Å; M195-V290 HydrophobicContact CE-CG1 4.16Å; M195-L303 HydrophobicContact CE-CD1 3.94Å; M195-L303 HydrophobicContact CE-CD2 4.09Å; M195-L303 HydrophobicContact SD-CD1 3.94Å; M195-L303 HydrophobicContact SD-CD2 3.98Å
196C98.6Very high97.5Very high5 Ų544.4 Ų44.43%0.03427%0.266CS..EExtended strand (participates in β ladder)trans-126.7146.1-174.8-68.10000111.4R68 Y69 E192 P204 C237 L254R68-C196 HydrophobicContact CB-CB 3.83Å; Y69-C196 CarbonylContact O-C 3.58Å; Y69-C196 VanDerWaalsContact O-CA 3.29Å; Y69-C196 WeakPolarHBondContact O-CA 3.13Å; E192-C196 WeakPolarHBondContact O-CB 3.42Å; E192-C196 PolarHBondContact O-N 2.94Å; E192-C196 PolarHBondContact O-SG 2.85Å; E192-C196 VanDerWaalsContact O-SG 3.4Å; C196-P204 WeakPolarHBondContact O-CA 3.32Å; C196-P204 VanDerWaalsContact O-CB 3.29Å; C196-P204 WeakPolarHBondContact O-CB 3.5Å; C196-C237 VanDerWaalsContact SG-CB 3.57Å; C196-L254 WeakPolarHBondContact SG-CD1 3.3Å
197A98.3Very high97.4Very high4 Ų448.2 Ų48.23%0.03329%0.292CS..EExtended strand (participates in β ladder)trans-125.4158.3169.900000111.2Y69 K199 S202Y69-A197 PolarHBondContact N-O 3.07Å; Y69-A197 PolarHBondContact O-N 3.14Å; A197-K199 VanDerWaalsContact C-N 3.29Å; A197-K199 PolarHBondContact O-N 3.23Å; A197-S202 WeakPolarHBondContact CB-O 3.34Å; A197-S202 VanDerWaalsContact CB-OG 3.26Å; A197-S202 WeakPolarHBondContact CB-OG 3.36Å
198D97.2Very high97.3Very high133 Ų13349.4 Ų49.471%0.71131%0.306SS*.SBendtrans-75.3-18.1-177.2-62.8-23.6000113.4Y69Y69-D198 WeakPolarHBondContact CE2-O 3.33Å
199K96.5Very high97.3Very high148 Ų14853.7 Ų53.764%0.64332%0.321SS*.SBendtrans-128.5152178.4-64.2178.9-175.8175.70111.2Y69 A197 G201 S202Y69-K199 VanDerWaalsContact CD2-C 3.4Å; A197-K199 VanDerWaalsContact C-N 3.29Å; A197-K199 PolarHBondContact O-N 3.23Å; K199-G201 PolarHBondContact O-N 3.41Å; K199-S202 PolarHBondContact N-OG 3.23Å; K199-S202 PolarHBondContact O-N 3.3Å; K199-S202 PolarHBondContact O-OG 3.1Å
200P94.9Very high97.3Very high80 Ų8050.7 Ų50.752%0.51931%0.31SS..THydrogen-bonded Turntrans-57.7127.5173.6-19.128.4000111.1Y69 S202 P240Y69-P200 HydrophobicContact CD1-CB 4.19Å; Y69-P200 HydrophobicContact CD1-CG 3.79Å; Y69-P200 HydrophobicContact CD2-CG 4.29Å; Y69-P200 HydrophobicContact CE1-CB 4.42Å; Y69-P200 HydrophobicContact CE1-CG 3.57Å; Y69-P200 HydrophobicContact CE2-CG 4.11Å; Y69-P200 HydrophobicContact CG-CB 4.44Å; Y69-P200 HydrophobicContact CG-CG 4.14Å; P200-S202 VanDerWaalsContact C-N 3.25Å; P200-S202 PolarHBondContact O-N 3.11Å; P200-P240 HydrophobicContact CB-CB 4.47Å; P200-P240 HydrophobicContact CB-CG 4.08Å
201G91.8Very high97.3Very high79 Ų7951.9 Ų51.981%0.81432%0.316SS*.THydrogen-bonded Turntrans75.32.1175.700000115.9K199K199-G201 PolarHBondContact O-N 3.41Å
202S94.9Very high97.2Very high41 Ų4152.4 Ų52.429%0.28732%0.32SS..PPolyproline II helixtrans-82.3165.4170.458.40000112.2S71 A197 K199 P200S71-S202 PolarHBondContact OG-O 3.3Å; A197-S202 WeakPolarHBondContact CB-O 3.34Å; A197-S202 VanDerWaalsContact CB-OG 3.26Å; A197-S202 WeakPolarHBondContact CB-OG 3.36Å; K199-S202 PolarHBondContact N-OG 3.23Å; K199-S202 PolarHBondContact O-N 3.3Å; K199-S202 PolarHBondContact O-OG 3.1Å; P200-S202 VanDerWaalsContact C-N 3.25Å; P200-S202 PolarHBondContact O-N 3.11Å
203S95.6Very high97.2Very high104 Ų10452.7 Ų52.773%0.72732%0.322SS*.PPolyproline II helixtrans-81147176.1-56.70000112
204P97.7Very high97.2Very high35 Ų3554.6 Ų54.623%0.22733%0.334CS..PPolyproline II helixtrans-58145.1167.5-23.934.9000112.5S71 Q193 Y194 C196S71-P204 WeakPolarHBondContact O-CG 3.47Å; Q193-P204 WeakPolarHBondContact O-CB 3.32Å; Y194-P204 VanDerWaalsContact O-CG 3.28Å; Y194-P204 WeakPolarHBondContact O-CG 3.49Å; C196-P204 WeakPolarHBondContact O-CA 3.32Å; C196-P204 VanDerWaalsContact O-CB 3.29Å; C196-P204 WeakPolarHBondContact O-CB 3.5Å
205D97.7Very high97.3Very high94 Ų9453.3 Ų53.350%0.50333%0.331SS..  trans-116.796.4173.5-178.24.7000110.7Q193 S207Q193-D205 WeakPolarHBondContact CG-O 3.41Å; Q193-D205 PolarHBondContact NE2-O 3Å; D205-S207 PolarHBondContact O-N 2.79Å; D205-S207 VanDerWaalsContact OD1-CB 3.24Å; D205-S207 WeakPolarHBondContact OD1-CB 3.17Å; D205-S207 PolarHBondContact OD1-N 3.4Å; D205-S207 PolarHBondContact OD1-OG 3.12Å; D205-S207 PolarHBondContact OD2-OG 3.22Å
206P97.5Very high97.3Very high39 Ų3953.6 Ų53.625%0.25333%0.332SS..THydrogen-bonded Turntrans-77.1-3.6178.332.5-35.3000113.8R91 K190 Y194R91-P206 PolarHBondContact NH1-O 2.95Å; K190-P206 PolarHBondContact NZ-O 3.06Å; Y194-P206 HydrophobicContact CD1-CB 3.83Å; Y194-P206 HydrophobicContact CD1-CG 4.18Å; Y194-P206 HydrophobicContact CE1-CB 3.43Å; Y194-P206 VanDerWaalsContact CE1-CB 3.43Å; Y194-P206 HydrophobicContact CE1-CG 3.78Å
207S97.6Very high97.3Very high79 Ų7953.6 Ų53.655%0.55233%0.332SS*.THydrogen-bonded Turntrans-79.4-19.9-177.576.70000113.8R91 D205R91-S207 PolarHBondContact NH1-O 3.33Å; D205-S207 PolarHBondContact O-N 2.79Å; D205-S207 VanDerWaalsContact OD1-CB 3.24Å; D205-S207 WeakPolarHBondContact OD1-CB 3.17Å; D205-S207 PolarHBondContact OD1-N 3.4Å; D205-S207 PolarHBondContact OD1-OG 3.12Å; D205-S207 PolarHBondContact OD2-OG 3.22Å
208G96.4Very high97.3Very high29 Ų2953.5 Ų53.530%0.29933%0.331SS..SBendtrans-68.8179.9175.400000114.3R91 Q193R91-G208 PolarHBondContact NH1-O 2.97Å; Q193-G208 PolarHBondContact NE2-O 3.2Å
209E97.7Very high97.4Very high109 Ų10947.1 Ų47.151%0.50930%0.297SS..  trans-82149.2175.1-61.9-178.2124.200112.1R91 Q93R91-E209 HydrophobicContact CB-CG 4.33Å; R91-E209 WeakPolarHBondContact O-CA 3.24Å; Q93-E209 PolarHBondContact NE2-OE1 3.15Å; Q93-E209 PolarHBondContact NE2-OE2 3.05Å
210V98.6Very high97.5Very high10 Ų1040.1 Ų40.16%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-92.199.6166.9178.50000107.6R91 Y92 Q93 Y186 Y189 K190 T212R91-V210 PolarHBondContact O-N 3.4Å; Y92-V210 HydrophobicContact CD2-CB 4.26Å; Y92-V210 HydrophobicContact CD2-CG1 4.15Å; Y92-V210 WeakPolarHBondContact CD2-O 3.42Å; Y92-V210 HydrophobicContact CE2-CG1 4.29Å; Q93-V210 PolarHBondContact N-O 2.87Å; Y186-V210 HydrophobicContact CD2-CB 4.19Å; Y186-V210 HydrophobicContact CD2-CG1 4.23Å; Y186-V210 HydrophobicContact CD2-CG2 4.39Å; Y186-V210 HydrophobicContact CE2-CB 3.62Å; Y186-V210 HydrophobicContact CE2-CG1 4.14Å; Y186-V210 HydrophobicContact CE2-CG2 3.56Å; Y189-V210 VanDerWaalsContact CB-CG1 3.43Å; Y189-V210 HydrophobicContact CG-CG1 4.34Å; K190-V210 HydrophobicContact CB-CG2 4.4Å; K190-V210 HydrophobicContact CD-CG2 3.96Å; V210-T212 HydrophobicContact CG1-CG2 4.38Å
211N98.5Very high97.6Very high25 Ų2537.9 Ų37.913%0.13425%0.247CC..EExtended strand (participates in β ladder)trans-107.7112.1176.7-175.8-23.8000110.6A56 Q93 N213 V214A56-N211 WeakPolarHBondContact CB-ND2 3.3Å; A56-N211 PolarHBondContact O-ND2 2.94Å; Q93-N211 HydrophobicContact CB-CB 3.99Å; Q93-N211 WeakPolarHBondContact O-CA 3.46Å; Q93-N211 PolarHBondContact OE1-ND2 3.3Å; N211-N213 VanDerWaalsContact C-N 3.29Å; N211-N213 PolarHBondContact O-N 3Å; N211-N213 WeakPolarHBondContact OD1-CB 3.4Å; N211-N213 PolarHBondContact OD1-N 3.34Å; N211-N213 PolarHBondContact OD1-ND2 2.89Å; N211-V214 HydrophobicContact CB-CG2 4.31Å; N211-V214 PolarHBondContact O-N 3.35Å
212T98.3Very high97.9Very high13 Ų1334.2 Ų34.28%0.0821%0.209CC..THydrogen-bonded Turntrans-88.46.4-175.760.70000113.6Y92 Q93 P94 R95 Y189 V210Y92-T212 HydrophobicContact CE2-CG2 3.84Å; Q93-T212 PolarHBondContact O-N 2.77Å; Q93-T212 PolarHBondContact O-OG1 3.48Å; P94-T212 VanDerWaalsContact CA-OG1 3.28Å; P94-T212 WeakPolarHBondContact CA-OG1 3.33Å; R95-T212 PolarHBondContact N-OG1 3.27Å; Y189-T212 HydrophobicContact CD1-CG2 3.85Å; Y189-T212 HydrophobicContact CD2-CG2 3.39Å; Y189-T212 HydrophobicContact CE1-CG2 3.86Å; Y189-T212 HydrophobicContact CE2-CG2 3.4Å; Y189-T212 VanDerWaalsContact CE2-CG2 3.4Å; Y189-T212 HydrophobicContact CG-CG2 3.61Å; V210-T212 HydrophobicContact CG1-CG2 4.38Å
213N98.6Very high98.1Very high28 Ų2836.8 Ų36.815%0.1521%0.213CC..THydrogen-bonded Turntrans-74.8-33.6164.1-61.2-77.2000110.9L54 D55 R58 R95 N211 A215L54-N213 WeakPolarHBondContact CB-O 3.29Å; D55-N213 CarbonylContact O-C 3.49Å; R58-N213 HydrophobicContact CB-CB 4.07Å; R58-N213 VanDerWaalsContact CD-O 3.26Å; R58-N213 WeakPolarHBondContact CD-O 3.34Å; R58-N213 PolarHBondContact NH1-O 3.36Å; R95-N213 WeakPolarHBondContact CA-OD1 3.32Å; R95-N213 WeakPolarHBondContact CG-OD1 3.46Å; N211-N213 VanDerWaalsContact C-N 3.29Å; N211-N213 PolarHBondContact O-N 3Å; N211-N213 WeakPolarHBondContact OD1-CB 3.4Å; N211-N213 PolarHBondContact OD1-N 3.34Å; N211-N213 PolarHBondContact OD1-ND2 2.89Å; N213-A215 PolarHBondContact O-N 3.05Å
214V98.7Very high98.3Very high60 Ų6031.9 Ų31.936%0.36418%0.178SC..  trans-67126.4178.7-176.40000109.3L54 A56 A66 N211L54-V214 VanDerWaalsContact O-CA 3.27Å; L54-V214 WeakPolarHBondContact O-CA 3.22Å; A56-V214 HydrophobicContact CB-CG2 4.16Å; A66-V214 HydrophobicContact CB-CG1 3.95Å; N211-V214 HydrophobicContact CB-CG2 4.31Å; N211-V214 PolarHBondContact O-N 3.35Å
215A98.8Very high98.3Very high5 Ų531.4 Ų31.44%0.04118%0.179CC..EExtended strand (participates in β ladder)trans-152.5145.2176.900000111.1S53 L54 A66 N213 E234S53-A215 CarbonylContact C-O 3.6Å; S53-A215 WeakPolarHBondContact CA-O 3.42Å; L54-A215 HydrophobicContact CB-CB 4.33Å; L54-A215 HydrophobicContact CD1-CB 4.37Å; L54-A215 PolarHBondContact N-O 3.39Å; L54-A215 PolarHBondContact O-N 3.39Å; A66-A215 VanDerWaalsContact CB-O 3.31Å; A66-A215 WeakPolarHBondContact CB-O 3.41Å; N213-A215 PolarHBondContact O-N 3.05Å; A215-E234 HydrophobicContact CB-CG 4.34Å
216F98.8Very high98.3Very high6 Ų631.2 Ų31.23%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-111.4127.4168.1171-101.4000109.5C51 A64 A66 L67 E234 V235 Y251C51-F216 HydrophobicContact CB-CE2 3.49Å; C51-F216 VanDerWaalsContact CB-CE2 3.49Å; C51-F216 HydrophobicContact CB-CZ 3.66Å; A64-F216 HydrophobicContact CB-CD2 4.22Å; A64-F216 HydrophobicContact CB-CE2 3.6Å; A64-F216 HydrophobicContact CB-CZ 4.45Å; A66-F216 HydrophobicContact CB-CB 4.05Å; L67-F216 HydrophobicContact CB-CB 4.44Å; L67-F216 HydrophobicContact CB-CD1 4.15Å; L67-F216 HydrophobicContact CB-CD2 3.8Å; L67-F216 HydrophobicContact CB-CE1 4.4Å; L67-F216 HydrophobicContact CB-CE2 4.03Å; L67-F216 HydrophobicContact CB-CG 3.85Å; L67-F216 HydrophobicContact CB-CZ 4.33Å; L67-F216 HydrophobicContact CD1-CD1 3.59Å; L67-F216 HydrophobicContact CD1-CE1 3.68Å; L67-F216 HydrophobicContact CD1-CG 4.16Å; L67-F216 HydrophobicContact CD1-CZ 4.27Å; L67-F216 HydrophobicContact CD2-CE1 4.45Å; L67-F216 HydrophobicContact CD2-CZ 4.27Å; L67-F216 HydrophobicContact CG-CD1 4.39Å; L67-F216 HydrophobicContact CG-CE1 4.39Å; F216-E234 WeakPolarHBondContact O-CA 3.31Å; F216-V235 HydrophobicContact CD1-CB 3.88Å; F216-V235 HydrophobicContact CD1-CG1 4.27Å; F216-V235 HydrophobicContact CE1-CB 4.11Å; F216-V235 HydrophobicContact CE1-CG1 4.32Å; F216-V235 PolarHBondContact O-N 3.38Å; F216-Y251 HydrophobicContact CE1-CE1 4.07Å; F216-Y251 AromaticContact CE1-CZ 3.93Å
217C98.9Very high98.3Very high5 Ų530.2 Ų30.23%0.03418%0.177CC..EExtended strand (participates in β ladder)trans-120.4125.9-175.1-720000111.1C51 F52 G233C51-C217 CarbonylContact C-O 3.55Å; C51-C217 WeakPolarHBondContact CA-O 3.33Å; C51-C217 VanDerWaalsContact CB-O 3.24Å; C51-C217 WeakPolarHBondContact CB-O 3.33Å; F52-C217 HydrophobicContact CD1-CB 4.19Å; F52-C217 HydrophobicContact CD2-CB 3.93Å; F52-C217 HydrophobicContact CE1-CB 3.79Å; F52-C217 HydrophobicContact CE2-CB 3.49Å; F52-C217 VanDerWaalsContact CE2-CB 3.49Å; F52-C217 HydrophobicContact CG-CB 4.26Å; F52-C217 HydrophobicContact CZ-CB 3.41Å; F52-C217 VanDerWaalsContact CZ-CB 3.41Å; F52-C217 PolarHBondContact N-O 3.07Å; F52-C217 PolarHBondContact O-N 3.5Å; C217-G233 WeakPolarHBondContact CA-O 3.4Å
218S98.8Very high98.3Very high1 Ų127.1 Ų27.11%0.00716%0.155CC..EExtended strand (participates in β ladder)trans-89.5132.3170.2176.70000109.7E48 L220 S232 G233E48-S218 VanDerWaalsContact OE2-CB 3.28Å; E48-S218 WeakPolarHBondContact OE2-CB 3.41Å; E48-S218 PolarHBondContact OE2-OG 3.45Å; S218-L220 WeakPolarHBondContact O-CD1 3.47Å; S218-S232 CarbonylContact O-C 3.4Å; S218-S232 VanDerWaalsContact O-CA 3.23Å; S218-S232 WeakPolarHBondContact O-CA 3.21Å; S218-S232 PolarHBondContact O-OG 2.94Å; S218-G233 PolarHBondContact N-O 2.7Å; S218-G233 PolarHBondContact O-N 3.47Å
219V98.7Very high98.5Very high0 Ų025.8 Ų25.80%014%0.141CC..EExtended strand (participates in β ladder)trans-102.3119.2174.7-172.80000109.1E48 L49 G50 F52 L106 W109 L230E48-V219 CarbonylContact C-O 3.5Å; E48-V219 WeakPolarHBondContact CA-O 3.28Å; L49-V219 PolarHBondContact N-O 3.18Å; G50-V219 PolarHBondContact O-N 3.19Å; F52-V219 HydrophobicContact CD1-CG2 3.83Å; F52-V219 HydrophobicContact CE1-CG2 3.68Å; L106-V219 HydrophobicContact CD1-CG1 4.1Å; L106-V219 HydrophobicContact CD1-CG2 4.32Å; W109-V219 HydrophobicContact CD2-CB 4.11Å; W109-V219 HydrophobicContact CD2-CG1 4.02Å; W109-V219 HydrophobicContact CD2-CG2 3.7Å; W109-V219 HydrophobicContact CE3-CB 4.32Å; W109-V219 HydrophobicContact CE3-CG1 3.71Å; W109-V219 HydrophobicContact CE3-CG2 4.22Å; W109-V219 HydrophobicContact CG-CG2 3.87Å; W109-V219 HydrophobicContact CH2-CB 4.23Å; W109-V219 HydrophobicContact CH2-CG1 3.79Å; W109-V219 HydrophobicContact CZ2-CB 3.98Å; W109-V219 HydrophobicContact CZ2-CG1 4.07Å; W109-V219 HydrophobicContact CZ2-CG2 4.36Å; W109-V219 HydrophobicContact CZ3-CB 4.39Å; W109-V219 HydrophobicContact CZ3-CG1 3.61Å; V219-L230 HydrophobicContact CG1-CD2 4.12Å; V219-L230 HydrophobicContact CG1-CG 4.39Å
220L98.6Very high98.5Very high0 Ų020.6 Ų20.60%012%0.117CC..EExtended strand (participates in β ladder)trans-120146.9-169.6-56106.7000112.6P46 S47 S218 L230 F231 P248 P284P46-L220 HydrophobicContact CB-CD2 3.86Å; S47-L220 WeakPolarHBondContact O-CA 3.47Å; S218-L220 WeakPolarHBondContact O-CD1 3.47Å; L220-L230 WeakPolarHBondContact O-CA 3.48Å; L220-F231 HydrophobicContact CB-CE1 4.33Å; L220-F231 HydrophobicContact CB-CE2 4.1Å; L220-F231 HydrophobicContact CB-CZ 3.95Å; L220-F231 HydrophobicContact CD1-CD2 4.31Å; L220-F231 HydrophobicContact CD1-CE2 3.87Å; L220-F231 HydrophobicContact CD1-CZ 4.49Å; L220-F231 PolarHBondContact N-O 2.99Å; L220-F231 PolarHBondContact O-N 3.11Å; L220-P248 HydrophobicContact CD2-CB 4.01Å; L220-P248 HydrophobicContact CD2-CG 3.93Å; L220-P284 HydrophobicContact CD1-CB 3.9Å; L220-P284 HydrophobicContact CD2-CB 4.06Å; L220-P284 WeakPolarHBondContact CD2-O 3.46Å
221R98.1Very high98.5Very high34 Ų3420.1 Ų20.113%0.12811%0.114CC..EExtended strand (participates in β ladder)trans-104.6129.5168.5-178.2173.3-179.1-149.22110.5P46 S47 L49 E118 W123 L229P46-R221 WeakPolarHBondContact CA-O 3.26Å; S47-R221 PolarHBondContact N-O 3.19Å; S47-R221 PolarHBondContact O-N 3.24Å; L49-R221 HydrophobicContact CD1-CB 3.9Å; L49-R221 HydrophobicContact CD2-CB 3.79Å; L49-R221 HydrophobicContact CG-CB 3.77Å; E118-R221 IonicContact OE2-NH1 3.68Å; W123-R221 HydrophobicContact CH2-CG 3.85Å; W123-R221 HydrophobicContact CZ2-CG 3.6Å; W123-R221 VanDerWaalsContact CZ2-NE 3.34Å; R221-L229 WeakPolarHBondContact CA-O 3.41Å
222S98.4Very high98.5Very high1 Ų118.9 Ų18.91%0.00711%0.108CC..EExtended strand (participates in β ladder)trans-144.3-170.9170.4-168.30000111Y43 R44 L229Y43-S222 WeakPolarHBondContact CE2-OG 3.41Å; Y43-S222 VanDerWaalsContact CZ-OG 3.3Å; R44-S222 PolarHBondContact O-OG 3.42Å; S222-L229 PolarHBondContact N-O 3.18Å; S222-L229 PolarHBondContact O-N 2.75Å
223R98.6Very high98.5Very high96 Ų9618.4 Ų18.436%0.36211%0.105SC..EExtended strand (participates in β ladder)trans-154.3127.5171.8173.6165.466.787.3-5.6109.3F42 Y43 R44 G225 H227F42-R223 HydrophobicContact CE1-CB 4.38Å; F42-R223 HydrophobicContact CE1-CG 4.32Å; F42-R223 VanDerWaalsContact CE1-NH2 3.25Å; Y43-R223 CarbonylContact C-O 3.59Å; Y43-R223 WeakPolarHBondContact CA-O 3.33Å; R44-R223 HydrophobicContact CB-CB 4.02Å; R44-R223 PolarHBondContact N-O 3.41Å; R223-G225 VanDerWaalsContact CG-O 3.28Å; R223-G225 WeakPolarHBondContact CG-O 3.37Å; R223-G225 PolarHBondContact NH1-O 2.89Å; R223-H227 CarbonylContact C-O 3.58Å; R223-H227 VanDerWaalsContact CA-O 3.26Å; R223-H227 WeakPolarHBondContact CA-O 3.28Å; R223-H227 WeakPolarHBondContact CG-O 3.36Å
224L98.8Very high98.5Very high1 Ų120.2 Ų20.21%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-108.8114.6173.4175.153.6000109.5P41 Y43 S226 H227 L229 M328 C331 A332 L335P41-L224 HydrophobicContact CB-CD1 4.27Å; P41-L224 HydrophobicContact CG-CD1 3.86Å; Y43-L224 HydrophobicContact CD2-CB 3.96Å; Y43-L224 HydrophobicContact CD2-CD1 4.14Å; Y43-L224 HydrophobicContact CE2-CB 4.27Å; L224-S226 PolarHBondContact O-N 2.86Å; L224-H227 PolarHBondContact N-O 2.89Å; L224-H227 WeakPolarHBondContact O-CB 3.5Å; L224-H227 PolarHBondContact O-CD2 3.14Å; L224-H227 PolarHBondContact O-N 3.46Å; L224-L229 HydrophobicContact CB-CD1 4.08Å; L224-M328 HydrophobicContact CD1-CB 4.44Å; L224-M328 HydrophobicContact CD1-CE 3.64Å; L224-M328 HydrophobicContact CD2-CE 4.01Å; L224-M328 HydrophobicContact CG-CE 4.37Å; L224-C331 HydrophobicContact CD2-CB 3.81Å; L224-A332 HydrophobicContact CD1-CB 4.29Å; L224-A332 HydrophobicContact CD2-CB 4.09Å; L224-A332 HydrophobicContact CG-CB 3.92Å; L224-L335 HydrophobicContact CB-CD1 4.41Å; L224-L335 HydrophobicContact CD2-CD1 4.11Å
225G98.1Very high98.5Very high24 Ų2417.7 Ų17.725%0.24710%0.098CC..THydrogen-bonded Turntrans57.5-123.2-171.500000110.5F42 R223F42-G225 PolarHBondContact O-N 2.66Å; R223-G225 VanDerWaalsContact CG-O 3.28Å; R223-G225 WeakPolarHBondContact CG-O 3.37Å; R223-G225 PolarHBondContact NH1-O 2.89Å
226S97.2Very high98.5Very high91 Ų9118.1 Ų18.164%0.63610%0.099SC*.THydrogen-bonded Turntrans-84.5-5174.953.90000114.3L224 P228L224-S226 PolarHBondContact O-N 2.86Å; S226-P228 VanDerWaalsContact O-CD 3.28Å; S226-P228 WeakPolarHBondContact O-CD 3.32Å
227H98.6Very high98.5Very high17 Ų1717.9 Ų17.98%0.07910%0.098CC..EExtended strand (participates in β ladder)trans-96.3107.2-167.6-53.5-61.7000111.8I128 R223 L224 A332 L335 S336I128-H227 HydrophobicContact CD1-CB 4.06Å; R223-H227 CarbonylContact C-O 3.58Å; R223-H227 VanDerWaalsContact CA-O 3.26Å; R223-H227 WeakPolarHBondContact CA-O 3.28Å; R223-H227 WeakPolarHBondContact CG-O 3.36Å; L224-H227 PolarHBondContact N-O 2.89Å; L224-H227 WeakPolarHBondContact O-CB 3.5Å; L224-H227 PolarHBondContact O-CD2 3.14Å; L224-H227 PolarHBondContact O-N 3.46Å; H227-A332 PolarHBondContact NE2-O 3.09Å; H227-L335 HydrophobicContact CB-CB 4.36Å; H227-L335 HydrophobicContact CB-CD1 3.98Å; H227-S336 PolarHBondContact CE1-OG 2.87Å; H227-S336 VanDerWaalsContact CE1-OG 3.27Å; H227-S336 PolarHBondContact NE2-N 2.92Å; H227-S336 PolarHBondContact NE2-OG 3.04Å
228P98.4Very high98.5Very high14 Ų1418.3 Ų18.39%0.09110%0.101CC..EExtended strand (participates in β ladder)trans-65.8139.1172.7-12.328.8000110.1W123 E126 A127 I128 S226W123-P228 HydrophobicContact CZ2-CB 4.17Å; E126-P228 HydrophobicContact CB-CG 4.36Å; E126-P228 WeakPolarHBondContact O-CD 3.45Å; A127-P228 WeakPolarHBondContact CA-O 3.3Å; A127-P228 HydrophobicContact CB-CB 4.21Å; I128-P228 PolarHBondContact N-O 2.78Å; S226-P228 VanDerWaalsContact O-CD 3.28Å; S226-P228 WeakPolarHBondContact O-CD 3.32Å
229L98.8Very high98.5Very high1 Ų119.7 Ų19.71%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-122.8133.2-177.6-56.8176.8000109.9Y43 I128 L135 R221 S222 L224 F231 L335Y43-L229 HydrophobicContact CE2-CD1 4.16Å; I128-L229 HydrophobicContact CB-CD2 3.95Å; I128-L229 HydrophobicContact CD1-CD2 4.44Å; L135-L229 HydrophobicContact CD1-CD1 4.32Å; R221-L229 WeakPolarHBondContact CA-O 3.41Å; S222-L229 PolarHBondContact N-O 3.18Å; S222-L229 PolarHBondContact O-N 2.75Å; L224-L229 HydrophobicContact CB-CD1 4.08Å; L229-F231 HydrophobicContact CB-CD1 3.93Å; L229-F231 HydrophobicContact CB-CE1 4.26Å; L229-L335 HydrophobicContact CD2-CD1 3.9Å
230L98.7Very high98.3Very high0 Ų022.5 Ų22.50%013%0.126CC..EExtended strand (participates in β ladder)trans-118119.1160.3-174.9149.5000106.9L49 L106 W109 L110 L117 W123 I128 V129 T130 V219 L220L49-L230 HydrophobicContact CD1-CD1 3.98Å; L49-L230 HydrophobicContact CD1-CG 4.47Å; L106-L230 HydrophobicContact CD1-CD2 3.96Å; L106-L230 HydrophobicContact CG-CD2 4.5Å; W109-L230 HydrophobicContact CZ3-CD1 4.26Å; L110-L230 HydrophobicContact CD1-CD1 3.9Å; L117-L230 HydrophobicContact CD2-CD1 4.17Å; W123-L230 HydrophobicContact CH2-CB 3.97Å; W123-L230 HydrophobicContact CH2-CD1 4.23Å; W123-L230 HydrophobicContact CZ3-CB 4.39Å; W123-L230 HydrophobicContact CZ3-CD1 3.95Å; I128-L230 PolarHBondContact O-N 3.24Å; V129-L230 VanDerWaalsContact CA-O 3.28Å; V129-L230 WeakPolarHBondContact CA-O 3.5Å; V129-L230 HydrophobicContact CG1-CD2 4.13Å; V129-L230 HydrophobicContact CG2-CB 4.24Å; V129-L230 HydrophobicContact CG2-CD2 4.35Å; T130-L230 PolarHBondContact N-O 2.78Å; V219-L230 HydrophobicContact CG1-CD2 4.12Å; V219-L230 HydrophobicContact CG1-CG 4.39Å; L220-L230 WeakPolarHBondContact O-CA 3.48Å
231F98.9Very high98.1Very high0 Ų030.9 Ų30.90%017%0.166CC..EExtended strand (participates in β ladder)trans-145.8152.3179.462-85.1000110.9T130 R132 L135 L220 L229 L283 P284T130-F231 HydrophobicContact CG2-CB 4.31Å; T130-F231 WeakPolarHBondContact O-CA 3.28Å; T130-F231 WeakPolarHBondContact O-CB 3.12Å; R132-F231 HydrophobicContact CB-CD2 3.86Å; R132-F231 HydrophobicContact CB-CE2 4.31Å; R132-F231 HydrophobicContact CG-CD2 4.36Å; R132-F231 HydrophobicContact CG-CE2 4.32Å; L135-F231 HydrophobicContact CD1-CB 4.19Å; L135-F231 HydrophobicContact CD1-CD1 3.98Å; L135-F231 HydrophobicContact CD1-CD2 4.47Å; L135-F231 HydrophobicContact CD1-CG 3.95Å; L220-F231 HydrophobicContact CB-CE1 4.33Å; L220-F231 HydrophobicContact CB-CE2 4.1Å; L220-F231 HydrophobicContact CB-CZ 3.95Å; L220-F231 HydrophobicContact CD1-CD2 4.31Å; L220-F231 HydrophobicContact CD1-CE2 3.87Å; L220-F231 HydrophobicContact CD1-CZ 4.49Å; L220-F231 PolarHBondContact N-O 2.99Å; L220-F231 PolarHBondContact O-N 3.11Å; L229-F231 HydrophobicContact CB-CD1 3.93Å; L229-F231 HydrophobicContact CB-CE1 4.26Å; F231-L283 HydrophobicContact CE2-CB 4.49Å; F231-L283 WeakPolarHBondContact CZ-O 3.36Å; F231-P284 HydrophobicContact CE2-CB 4.43Å
232S98.8Very high97.9Very high0 Ų030 Ų300%017%0.165CC..EExtended strand (participates in β ladder)trans-109.7151.6173.4-178.90000110.9F52 T130 W131 R132 S218F52-S232 WeakPolarHBondContact CE1-OG 3.18Å; T130-S232 PolarHBondContact O-N 2.91Å; W131-S232 VanDerWaalsContact CE3-O 3.29Å; W131-S232 VanDerWaalsContact CZ3-CB 3.46Å; W131-S232 VanDerWaalsContact CZ3-OG 3.32Å; W131-S232 WeakPolarHBondContact CZ3-OG 3.03Å; R132-S232 VanDerWaalsContact CB-O 3.25Å; R132-S232 WeakPolarHBondContact CB-O 3.39Å; R132-S232 PolarHBondContact N-O 3.5Å; S218-S232 CarbonylContact O-C 3.4Å; S218-S232 VanDerWaalsContact O-CA 3.23Å; S218-S232 WeakPolarHBondContact O-CA 3.21Å; S218-S232 PolarHBondContact O-OG 2.94Å
233G98.4Very high97.7Very high3 Ų336.9 Ų36.93%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-146.9137.4173.700000110.8C217 S218C217-G233 WeakPolarHBondContact CA-O 3.4Å; S218-G233 PolarHBondContact N-O 2.7Å; S218-G233 PolarHBondContact O-N 3.47Å
234E98.5Very high97.4Very high65 Ų6534.3 Ų34.330%0.30421%0.207SC..EExtended strand (participates in β ladder)trans-58.9138.4167.3-172.6173.1-174.200110.4R132 A215 F216R132-E234 PolarHBondContact NH2-O 2.87Å; A215-E234 HydrophobicContact CB-CG 4.34Å; F216-E234 WeakPolarHBondContact O-CA 3.31Å
235V98.7Very high97Very high8 Ų839.6 Ų39.65%0.04824%0.239CC..  trans-126.7125.3-179.4168.80000108.5F216 Y251F216-V235 HydrophobicContact CD1-CB 3.88Å; F216-V235 HydrophobicContact CD1-CG1 4.27Å; F216-V235 HydrophobicContact CE1-CB 4.11Å; F216-V235 HydrophobicContact CE1-CG1 4.32Å; F216-V235 PolarHBondContact O-N 3.38Å; V235-Y251 HydrophobicContact CG1-CD1 3.55Å; V235-Y251 HydrophobicContact CG1-CD2 3.92Å; V235-Y251 HydrophobicContact CG1-CE1 4.05Å; V235-Y251 HydrophobicContact CG1-CE2 4.38Å; V235-Y251 HydrophobicContact CG1-CG 3.49Å; V235-Y251 VanDerWaalsContact CG1-CG 3.49Å; V235-Y251 HydrophobicContact CG2-CD2 3.95Å; V235-Y251 HydrophobicContact CG2-CE2 4.17Å; V235-Y251 HydrophobicContact CG2-CG 4.37Å
236D98.7Very high96.8Very high14 Ų1445 Ų458%0.07526%0.258CS..  trans-71.6-42.3-171.2-52-28000112.5E253 L254D236-E253 WeakPolarHBondContact OD2-CA 3.29Å; D236-L254 HydrophobicContact CB-CB 4.28Å; D236-L254 HydrophobicContact CB-CD1 4.33Å; D236-L254 HydrophobicContact CB-CG 4.1Å; D236-L254 PolarHBondContact OD2-N 2.97Å
237C98.6Very high96.8Very high0 Ų043.3 Ų43.30%025%0.245CC..EExtended strand (participates in β ladder)trans-163.8169.1177.160.20000113.9R68 C196 Y251 V252R68-C237 CarbonylContact O-C 3.55Å; R68-C237 WeakPolarHBondContact O-CA 3.47Å; R68-C237 VanDerWaalsContact O-CB 3.3Å; R68-C237 WeakPolarHBondContact O-CB 3.46Å; C196-C237 VanDerWaalsContact SG-CB 3.57Å; C237-Y251 WeakPolarHBondContact O-CA 3.38Å; C237-V252 PolarHBondContact N-O 3.36Å; C237-V252 PolarHBondContact O-N 2.83Å
238T98.6Very high96.8Very high14 Ų1442.8 Ų42.89%0.08624%0.243CC..EExtended strand (participates in β ladder)trans-109.9143.9166.8-171.60000110.6L67 R68 Y69 Y70 P240 C250L67-T238 HydrophobicContact CD1-CG2 4.06Å; L67-T238 HydrophobicContact CD2-CG2 3.87Å; L67-T238 HydrophobicContact CG-CG2 4.04Å; R68-T238 PolarHBondContact O-N 3.28Å; Y69-T238 CarbonylContact C-O 3.57Å; Y69-T238 WeakPolarHBondContact CA-O 3.46Å; Y69-T238 HydrophobicContact CD1-CG2 3.41Å; Y69-T238 VanDerWaalsContact CD1-CG2 3.41Å; Y69-T238 HydrophobicContact CE1-CG2 3.59Å; Y69-T238 HydrophobicContact CG-CG2 4.34Å; Y70-T238 PolarHBondContact N-O 3.48Å; T238-P240 WeakPolarHBondContact O-CD 3.33Å; T238-C250 CarbonylContact C-O 3.23Å; T238-C250 WeakPolarHBondContact CA-O 3.33Å; T238-C250 PolarHBondContact OG1-O 2.83Å; T238-C250 PolarHBondContact OG1-SG 3.42Å
239D97.9Very high96.8Very high30 Ų3044.6 Ų44.616%0.1625%0.254CS..  trans-96.9108.5175.4177.48.4000110.3Y70 Q241 A242 C250 V252Y70-D239 HydrophobicContact CD1-CB 4.18Å; D239-Q241 PolarHBondContact O-N 3.16Å; D239-Q241 VanDerWaalsContact O-N 3.13Å; D239-Q241 WeakPolarHBondContact OD1-CA 3.47Å; D239-Q241 WeakPolarHBondContact OD1-CB 3.5Å; D239-Q241 PolarHBondContact OD1-N 3.23Å; D239-A242 HydrophobicContact CB-CB 4.1Å; D239-A242 VanDerWaalsContact O-CB 3.26Å; D239-A242 WeakPolarHBondContact O-CB 3.29Å; D239-A242 PolarHBondContact O-N 3.24Å; D239-C250 PolarHBondContact N-O 2.87Å; D239-V252 HydrophobicContact CB-CG2 3.74Å
240P95.2Very high96.7Very high59 Ų5944.7 Ų44.738%0.38326%0.255SS..THydrogen-bonded Turntrans-61.3-18.5176.1-21.733.6000114Y69 P200 T238Y69-P240 HydrophobicContact CD1-CG 3.9Å; Y69-P240 HydrophobicContact CG-CG 4.47Å; P200-P240 HydrophobicContact CB-CB 4.47Å; P200-P240 HydrophobicContact CB-CG 4.08Å; T238-P240 WeakPolarHBondContact O-CD 3.33Å
241Q93.9Very high96.7Very high177 Ų17745 Ų4583%0.82726%0.256SS*.THydrogen-bonded Turntrans-99.24.1179.3-55.6-175.56.300112.6D239D239-Q241 PolarHBondContact O-N 3.16Å; D239-Q241 VanDerWaalsContact O-N 3.13Å; D239-Q241 WeakPolarHBondContact OD1-CA 3.47Å; D239-Q241 WeakPolarHBondContact OD1-CB 3.5Å; D239-Q241 PolarHBondContact OD1-N 3.23Å
242A95.2Very high96.7Very high14 Ų1445.2 Ų45.212%0.11626%0.257CS..SBendtrans-58.1143.8176.200000110.8D239 S244 C250D239-A242 HydrophobicContact CB-CB 4.1Å; D239-A242 VanDerWaalsContact O-CB 3.26Å; D239-A242 WeakPolarHBondContact O-CB 3.29Å; D239-A242 PolarHBondContact O-N 3.24Å; A242-S244 PolarHBondContact O-N 2.82Å; A242-C250 HydrophobicContact CB-CB 4.2Å
243P93.4Very high96.7Very high146 Ų14645.3 Ų45.395%0.94826%0.257SS*.SBendtrans-56.5-24.2179.3-27.134.7000114.6
244S91.8Very high96.7Very high43 Ų4345.4 Ų45.430%0.30126%0.257SS..  trans-128.7128.9174.2167.40000108.2A242 Q246 T249 C250A242-S244 PolarHBondContact O-N 2.82Å; S244-Q246 VanDerWaalsContact C-N 3.26Å; S244-Q246 PolarHBondContact OG-N 2.88Å; S244-T249 WeakPolarHBondContact CB-OG1 3.45Å; S244-T249 PolarHBondContact OG-OG1 2.82Å; S244-C250 WeakPolarHBondContact O-CB 3.27Å
245T91Very high96.8Very high111 Ų11144.3 Ų44.368%0.68125%0.251SS*.  trans-82-4.8174.854.90000112.7P247 C250T245-P247 WeakPolarHBondContact O-CD 3.35Å; T245-C250 PolarHBondContact O-SG 3.35Å
246Q94.6Very high96.7Very high139 Ų13945.3 Ų45.365%0.6526%0.257SS*.SBendtrans-76.8124.6-178-66.5-171.1-18.500111.5S244 T249 C250S244-Q246 VanDerWaalsContact C-N 3.26Å; S244-Q246 PolarHBondContact OG-N 2.88Å; Q246-T249 WeakPolarHBondContact O-CA 3.39Å; Q246-T249 WeakPolarHBondContact O-CB 3.46Å; Q246-T249 PolarHBondContact O-N 2.87Å; Q246-T249 PolarHBondContact O-OG1 3.4Å; Q246-C250 PolarHBondContact O-N 2.74Å
247P97.5Very high96.7Very high54 Ų5444.9 Ų44.935%0.35126%0.256SS..THydrogen-bonded Turntrans-59.1146.1167.6-25.836.6000112E48 T245 T249 Y251E48-P247 HydrophobicContact CB-CB 4.07Å; E48-P247 VanDerWaalsContact CD-CB 3.47Å; E48-P247 HydrophobicContact CG-CB 4.41Å; E48-P247 WeakPolarHBondContact OE1-CB 3.48Å; E48-P247 WeakPolarHBondContact OE1-CG 3.27Å; T245-P247 WeakPolarHBondContact O-CD 3.35Å; P247-T249 VanDerWaalsContact C-N 3.33Å; P247-Y251 HydrophobicContact CB-CE2 3.85Å
248P97.6Very high96.7Very high7 Ų751.2 Ų51.25%0.04528%0.283CS..THydrogen-bonded Turncis-866-3.934.7-35000113.8L220 C250 Y251 P284L220-P248 HydrophobicContact CD2-CB 4.01Å; L220-P248 HydrophobicContact CD2-CG 3.93Å; P248-C250 PolarHBondContact O-N 3.29Å; P248-Y251 VanDerWaalsContact CA-CD2 3.44Å; P248-Y251 HydrophobicContact CB-CD2 3.66Å; P248-Y251 HydrophobicContact CB-CE2 4.01Å; P248-Y251 WeakPolarHBondContact O-CB 3.28Å; P248-Y251 PolarHBondContact O-N 3.32Å; P248-Y251 VanDerWaalsContact O-N 3.11Å; P248-P284 WeakPolarHBondContact CB-O 3.49Å; P248-P284 WeakPolarHBondContact CG-O 3.26Å
249T97.5Very high96.6Very high51 Ų5152.7 Ų52.731%0.31329%0.289SS..THydrogen-bonded Turntrans-72-14.8-172.7640000114.6S244 Q246 P247 P287S244-T249 WeakPolarHBondContact CB-OG1 3.45Å; S244-T249 PolarHBondContact OG-OG1 2.82Å; Q246-T249 WeakPolarHBondContact O-CA 3.39Å; Q246-T249 WeakPolarHBondContact O-CB 3.46Å; Q246-T249 PolarHBondContact O-N 2.87Å; Q246-T249 PolarHBondContact O-OG1 3.4Å; P247-T249 VanDerWaalsContact C-N 3.33Å; T249-P287 WeakPolarHBondContact O-CG 3.47Å
250C97.9Very high96.7Very high4 Ų452.4 Ų52.43%0.02729%0.287CS..THydrogen-bonded Turntrans-88.7-7.8172.358.80000113.5T238 D239 A242 S244 T245 Q246 P248T238-C250 CarbonylContact C-O 3.23Å; T238-C250 WeakPolarHBondContact CA-O 3.33Å; T238-C250 PolarHBondContact OG1-O 2.83Å; T238-C250 PolarHBondContact OG1-SG 3.42Å; D239-C250 PolarHBondContact N-O 2.87Å; A242-C250 HydrophobicContact CB-CB 4.2Å; S244-C250 WeakPolarHBondContact O-CB 3.27Å; T245-C250 PolarHBondContact O-SG 3.35Å; Q246-C250 PolarHBondContact O-N 2.74Å; P248-C250 PolarHBondContact O-N 3.29Å
251Y98.7Very high96.7Very high6 Ų656.9 Ų56.92%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-79.2153.4-176.2-63.8-36.8000113E48 L67 F216 V235 C237 P247 P248 P287E48-Y251 PolarHBondContact OE1-OH 3.43Å; E48-Y251 VanDerWaalsContact OE2-CE2 3.24Å; E48-Y251 WeakPolarHBondContact OE2-CE2 3.49Å; E48-Y251 PolarHBondContact OE2-OH 3.05Å; L67-Y251 HydrophobicContact CD1-CE1 4.35Å; F216-Y251 HydrophobicContact CE1-CE1 4.07Å; F216-Y251 AromaticContact CE1-CZ 3.93Å; V235-Y251 HydrophobicContact CG1-CD1 3.55Å; V235-Y251 HydrophobicContact CG1-CD2 3.92Å; V235-Y251 HydrophobicContact CG1-CE1 4.05Å; V235-Y251 HydrophobicContact CG1-CE2 4.38Å; V235-Y251 HydrophobicContact CG1-CG 3.49Å; V235-Y251 VanDerWaalsContact CG1-CG 3.49Å; V235-Y251 HydrophobicContact CG2-CD2 3.95Å; V235-Y251 HydrophobicContact CG2-CE2 4.17Å; V235-Y251 HydrophobicContact CG2-CG 4.37Å; C237-Y251 WeakPolarHBondContact O-CA 3.38Å; P247-Y251 HydrophobicContact CB-CE2 3.85Å; P248-Y251 VanDerWaalsContact CA-CD2 3.44Å; P248-Y251 HydrophobicContact CB-CD2 3.66Å; P248-Y251 HydrophobicContact CB-CE2 4.01Å; P248-Y251 WeakPolarHBondContact O-CB 3.28Å; P248-Y251 PolarHBondContact O-N 3.32Å; P248-Y251 VanDerWaalsContact O-N 3.11Å; Y251-P287 WeakPolarHBondContact O-CD 3.45Å
252V98.7Very high96.9Very high4 Ų450.9 Ų50.92%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-132.8131.4177179.80000108.9Y70 C237 D239 L254 V290Y70-V252 HydrophobicContact CD2-CG1 4.33Å; Y70-V252 HydrophobicContact CE2-CG1 4.44Å; C237-V252 PolarHBondContact N-O 3.36Å; C237-V252 PolarHBondContact O-N 2.83Å; D239-V252 HydrophobicContact CB-CG2 3.74Å; V252-L254 HydrophobicContact CG1-CD2 4.09Å; V252-V290 HydrophobicContact CG1-CB 4.27Å; V252-V290 HydrophobicContact CG1-CG2 3.62Å
253E98.9Very high97Very high2 Ų255.6 Ų55.61%0.00931%0.31CS..EExtended strand (participates in β ladder)trans-92.1137170.3-176.686.9-166.900109.2D236 K255 Q280 V286 N288 V289 V290D236-E253 WeakPolarHBondContact OD2-CA 3.29Å; E253-K255 HydrophobicContact CG-CD 4.46Å; E253-K255 HydrophobicContact CG-CG 4.27Å; E253-K255 WeakPolarHBondContact OE1-CE 3.27Å; E253-K255 IonicContact OE1-NZ 3.48Å; E253-K255 PolarHBondContact OE1-NZ 3.4Å; E253-Q280 PolarHBondContact OE1-NE2 3.2Å; E253-Q280 PolarHBondContact OE1-OE1 3.04Å; E253-V286 HydrophobicContact CB-CG1 4.19Å; E253-N288 PolarHBondContact N-O 3.42Å; E253-V289 HydrophobicContact CB-CB 4.4Å; E253-V289 HydrophobicContact CB-CG1 4.28Å; E253-V289 HydrophobicContact CB-CG2 3.98Å; E253-V289 HydrophobicContact CG-CG1 4.2Å; E253-V289 HydrophobicContact CG-CG2 4.34Å; E253-V289 CarbonylContact O-C 3.52Å; E253-V289 VanDerWaalsContact O-CA 3.28Å; E253-V289 WeakPolarHBondContact O-CA 3.27Å; E253-V290 PolarHBondContact O-N 2.76Å
254L98.9Very high97.2Very high5 Ų550.3 Ų50.33%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-109.9132.3179.7-60.6-177.3000109.7Y70 F191 E192 M195 C196 D236 V252 V290Y70-L254 HydrophobicContact CD2-CD2 4.18Å; Y70-L254 HydrophobicContact CE2-CD2 4.06Å; F191-L254 HydrophobicContact CD1-CB 4.25Å; F191-L254 HydrophobicContact CE1-CB 4.04Å; E192-L254 HydrophobicContact CB-CD1 4.09Å; E192-L254 HydrophobicContact CG-CB 4.16Å; E192-L254 HydrophobicContact CG-CD1 4.09Å; M195-L254 HydrophobicContact CB-CD1 3.78Å; M195-L254 HydrophobicContact CB-CD2 4.31Å; C196-L254 WeakPolarHBondContact SG-CD1 3.3Å; D236-L254 HydrophobicContact CB-CB 4.28Å; D236-L254 HydrophobicContact CB-CD1 4.33Å; D236-L254 HydrophobicContact CB-CG 4.1Å; D236-L254 PolarHBondContact OD2-N 2.97Å; V252-L254 HydrophobicContact CG1-CD2 4.09Å; L254-V290 WeakPolarHBondContact CA-O 3.41Å; L254-V290 HydrophobicContact CD2-CB 3.94Å
255K98.8Very high97.5Very high42 Ų4252.4 Ų52.418%0.18329%0.287CS..EExtended strand (participates in β ladder)trans-137.5153-179.6-66-64.3-176.3-1500111.9F191 E253 W277 V289 V290 A291 G292F191-K255 VanDerWaalsContact CE1-O 3.24Å; F191-K255 WeakPolarHBondContact CE1-O 3.21Å; E253-K255 HydrophobicContact CG-CD 4.46Å; E253-K255 HydrophobicContact CG-CG 4.27Å; E253-K255 WeakPolarHBondContact OE1-CE 3.27Å; E253-K255 IonicContact OE1-NZ 3.48Å; E253-K255 PolarHBondContact OE1-NZ 3.4Å; K255-W277 HydrophobicContact CB-CD2 4.27Å; K255-W277 HydrophobicContact CB-CH2 3.72Å; K255-W277 HydrophobicContact CB-CZ2 3.35Å; K255-W277 HydrophobicContact CB-CZ3 4.3Å; K255-W277 HydrophobicContact CG-CD2 3.95Å; K255-W277 HydrophobicContact CG-CG 4.27Å; K255-W277 HydrophobicContact CG-CH2 4.45Å; K255-W277 HydrophobicContact CG-CZ2 3.88Å; K255-V289 HydrophobicContact CB-CG1 4.14Å; K255-V289 HydrophobicContact CG-CG1 3.54Å; K255-V290 PolarHBondContact N-O 3.44Å; K255-A291 CarbonylContact O-C 3.49Å; K255-A291 VanDerWaalsContact O-CA 3.22Å; K255-A291 WeakPolarHBondContact O-CA 3.45Å; K255-G292 PolarHBondContact O-N 2.87Å
256T98.5Very high97.9Very high29 Ų2950 Ų5018%0.17827%0.265CS..EExtended strand (participates in β ladder)trans-111.6149.3165.964.50000111.5L84 F191 G292L84-T256 HydrophobicContact CD1-CG2 4.02Å; F191-T256 HydrophobicContact CB-CG2 3.35Å; F191-T256 HydrophobicContact CD1-CG2 3.62Å; F191-T256 HydrophobicContact CD2-CG2 4.25Å; F191-T256 HydrophobicContact CE1-CG2 4.48Å; F191-T256 HydrophobicContact CG-CG2 3.47Å; F191-T256 VanDerWaalsContact CG-CG2 3.47Å; T256-G292 VanDerWaalsContact CA-O 3.31Å; T256-G292 WeakPolarHBondContact CA-O 3.17Å
257S98.4Very high98Very high6 Ų649.8 Ų49.84%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-147.8158.3168.8-167.80000110.4K273 G292 F293 R294S257-K273 PolarHBondContact OG-NZ 2.74Å; S257-G292 PolarHBondContact N-O 3.43Å; S257-F293 CarbonylContact O-C 3.32Å; S257-F293 VanDerWaalsContact O-CA 3.26Å; S257-F293 WeakPolarHBondContact O-CA 3.35Å; S257-R294 WeakPolarHBondContact O-CG 3.33Å; S257-R294 PolarHBondContact O-N 2.84Å
258K97.9Very high98.1Very high132 Ų13250.1 Ų50.157%0.57426%0.262SS*.EExtended strand (participates in β ladder)trans-59.6145.1169.6-65.5-179.5179.7-1780109.6
259E97.5Very high98.1Very high45 Ų4550.3 Ų50.321%0.2126%0.262CS..  trans-55.8148.5165.4-75.4179.8166.500111.3H261 F293 R294E259-H261 IonicContact OE2-CE1 3.31Å; E259-H261 IonicContact OE2-NE2 3.83Å; E259-F293 HydrophobicContact CG-CB 3.71Å; E259-R294 PolarHBondContact N-O 3.24Å
260M98Very high98.2Very high24 Ų2449.8 Ų49.812%0.11826%0.255CS..  trans-133.8120.8-176.4-65.4173.9-78.400109Q265 W266 F269 F293M260-Q265 HydrophobicContact CB-CB 3.9Å; M260-Q265 HydrophobicContact CG-CB 3.94Å; M260-W266 HydrophobicContact CB-CD2 4.15Å; M260-W266 HydrophobicContact CB-CG 4.18Å; M260-W266 HydrophobicContact CB-CZ2 4.4Å; M260-W266 HydrophobicContact CE-CD2 3.9Å; M260-W266 HydrophobicContact CE-CE3 3.55Å; M260-W266 HydrophobicContact CE-CH2 3.72Å; M260-W266 HydrophobicContact CE-CZ2 4.02Å; M260-W266 HydrophobicContact CE-CZ3 3.46Å; M260-W266 VanDerWaalsContact CE-CZ3 3.46Å; M260-W266 PolarHBondContact O-NE1 3Å; M260-W266 HydrophobicContact SD-CD2 4.13Å; M260-W266 HydrophobicContact SD-CE3 4.13Å; M260-W266 HydrophobicContact SD-CG 4.43Å; M260-F269 HydrophobicContact CE-CB 3.98Å; M260-F269 HydrophobicContact CE-CD1 3.97Å; M260-F269 HydrophobicContact CE-CD2 3.77Å; M260-F269 HydrophobicContact CE-CE1 4.43Å; M260-F269 HydrophobicContact CE-CE2 4.23Å; M260-F269 HydrophobicContact CE-CG 3.64Å; M260-F269 HydrophobicContact SD-CB 3.27Å; M260-F269 WeakPolarHBondContact SD-CB 3.31Å; M260-F269 HydrophobicContact SD-CD1 4.33Å; M260-F269 HydrophobicContact SD-CD2 4.08Å; M260-F269 HydrophobicContact SD-CG 3.66Å; M260-F293 HydrophobicContact CE-CD1 4.04Å; M260-F293 HydrophobicContact CE-CE1 3.45Å; M260-F293 VanDerWaalsContact CE-CE1 3.45Å; M260-F293 HydrophobicContact CE-CZ 4.2Å
261H96.4Very high98.2Very high154 Ų15451.6 Ų51.671%0.71326%0.261SS*.  trans-111.5-16.4-173.8-51.6-71.4000112.7E259E259-H261 IonicContact OE2-CE1 3.31Å; E259-H261 IonicContact OE2-NE2 3.83Å
262S97.8Very high98.1Very high50 Ų5056.9 Ų56.935%0.3529%0.286SS..SBendtrans-112.4149.7177.579.30000112.8G264 Q265 W266S262-G264 PolarHBondContact O-N 3.33Å; S262-Q265 VanDerWaalsContact N-OE1 3.13Å; S262-Q265 PolarHBondContact O-N 3.14Å; S262-Q265 VanDerWaalsContact O-N 3.09Å; S262-Q265 WeakPolarHBondContact OG-CG 3.19Å; S262-Q265 PolarHBondContact OG-N 3.24Å; S262-W266 PolarHBondContact O-N 2.94Å
263P97.4Very high98.1Very high114 Ų11460.2 Ų60.274%0.7430%0.3SS*.Hα-helixtrans-55.7-32172.9-26.935.1000113.3W266 R267P263-W266 PolarHBondContact O-N 3.12Å; P263-R267 WeakPolarHBondContact O-CB 3.26Å; P263-R267 PolarHBondContact O-N 2.89Å
264G97.8Very high98.1Very high35 Ų3560.1 Ų60.136%0.36130%0.3SS..Hα-helixtrans-65.3-40.5176.600000113.1S262 R267 S268S262-G264 PolarHBondContact O-N 3.33Å; G264-R267 PolarHBondContact O-N 2.99Å; G264-S268 PolarHBondContact O-N 2.99Å
265Q98.1Very high98.1Very high86 Ų8660.3 Ų60.340%0.40230%0.301SS..Hα-helixtrans-64.8-45.8174.9-73170.8-29.600111.2M260 S262 R267 S268 F269M260-Q265 HydrophobicContact CB-CB 3.9Å; M260-Q265 HydrophobicContact CG-CB 3.94Å; S262-Q265 VanDerWaalsContact N-OE1 3.13Å; S262-Q265 PolarHBondContact O-N 3.14Å; S262-Q265 VanDerWaalsContact O-N 3.09Å; S262-Q265 WeakPolarHBondContact OG-CG 3.19Å; S262-Q265 PolarHBondContact OG-N 3.24Å; Q265-R267 PolarHBondContact O-N 3.29Å; Q265-S268 PolarHBondContact O-N 2.92Å; Q265-F269 PolarHBondContact O-N 2.91Å
266W98.4Very high98.1Very high60 Ų6062.4 Ų62.423%0.22731%0.31CS..Hα-helixtrans-59.3-45175.5-81.8103.5000112.5M260 S262 P263 S268 F269 Y270 F293 K304 F306M260-W266 HydrophobicContact CB-CD2 4.15Å; M260-W266 HydrophobicContact CB-CG 4.18Å; M260-W266 HydrophobicContact CB-CZ2 4.4Å; M260-W266 HydrophobicContact CE-CD2 3.9Å; M260-W266 HydrophobicContact CE-CE3 3.55Å; M260-W266 HydrophobicContact CE-CH2 3.72Å; M260-W266 HydrophobicContact CE-CZ2 4.02Å; M260-W266 HydrophobicContact CE-CZ3 3.46Å; M260-W266 VanDerWaalsContact CE-CZ3 3.46Å; M260-W266 PolarHBondContact O-NE1 3Å; M260-W266 HydrophobicContact SD-CD2 4.13Å; M260-W266 HydrophobicContact SD-CE3 4.13Å; M260-W266 HydrophobicContact SD-CG 4.43Å; S262-W266 PolarHBondContact O-N 2.94Å; P263-W266 PolarHBondContact O-N 3.12Å; W266-S268 PolarHBondContact O-N 3.05Å; W266-F269 HydrophobicContact CE3-CD1 4.08Å; W266-F269 HydrophobicContact CE3-CE1 4.48Å; W266-F269 HydrophobicContact CZ3-CD1 4.21Å; W266-F269 HydrophobicContact CZ3-CE1 4.19Å; W266-F269 WeakPolarHBondContact O-CB 3.27Å; W266-F269 PolarHBondContact O-N 2.87Å; W266-Y270 HydrophobicContact CB-CE2 4.02Å; W266-Y270 AromaticContact CE3-CE1 3.64Å; W266-Y270 HydrophobicContact CE3-CE1 3.64Å; W266-Y270 HydrophobicContact CE3-CE2 4.31Å; W266-Y270 AromaticContact CE3-CZ 3.46Å; W266-Y270 VanDerWaalsContact CE3-CZ 3.46Å; W266-Y270 HydrophobicContact CZ3-CE1 4.03Å; W266-Y270 WeakPolarHBondContact O-CD2 3.48Å; W266-Y270 PolarHBondContact O-N 3.14Å; W266-F293 HydrophobicContact CH2-CE1 4.14Å; W266-F293 HydrophobicContact CH2-CE2 4.03Å; W266-F293 AromaticContact CH2-CZ 3.58Å; W266-F293 HydrophobicContact CH2-CZ 3.58Å; W266-F293 HydrophobicContact CZ3-CZ 4.1Å; W266-K304 HydrophobicContact CH2-CD 4.15Å; W266-F306 HydrophobicContact CZ3-CZ 4.08Å
267R98.1Very high98.1Very high136 Ų13661.7 Ų61.751%0.51330%0.304SS..Hα-helixtrans-59.7-44.1176-177.1172.460.6-177-1.7112.3P263 G264 Q265 Y270 R271P263-R267 WeakPolarHBondContact O-CB 3.26Å; P263-R267 PolarHBondContact O-N 2.89Å; G264-R267 PolarHBondContact O-N 2.99Å; Q265-R267 PolarHBondContact O-N 3.29Å; R267-Y270 PolarHBondContact O-N 2.94Å; R267-R271 VanDerWaalsContact O-CG 3.31Å; R267-R271 WeakPolarHBondContact O-CG 3.26Å; R267-R271 PolarHBondContact O-N 3.05Å
268S98.1Very high98.1Very high61 Ų6161.8 Ų61.843%0.42730%0.303SS..Hα-helixtrans-61.6-43.9175.3-179.60000111.9G264 Q265 W266 Y270 R271 H272G264-S268 PolarHBondContact O-N 2.99Å; Q265-S268 PolarHBondContact O-N 2.92Å; W266-S268 PolarHBondContact O-N 3.05Å; S268-Y270 PolarHBondContact O-N 3.45Å; S268-R271 PolarHBondContact O-N 3.46Å; S268-H272 PolarHBondContact O-CD2 2.85Å; S268-H272 PolarHBondContact O-N 2.84Å
269F98.6Very high98.2Very high11 Ų1155.5 Ų55.55%0.04828%0.276CS..Iπ-helixtrans-59.7-45.4174.7165.3-89.8000112.5M260 Q265 W266 R271 H272 K273 L274 W277 F306M260-F269 HydrophobicContact CE-CB 3.98Å; M260-F269 HydrophobicContact CE-CD1 3.97Å; M260-F269 HydrophobicContact CE-CD2 3.77Å; M260-F269 HydrophobicContact CE-CE1 4.43Å; M260-F269 HydrophobicContact CE-CE2 4.23Å; M260-F269 HydrophobicContact CE-CG 3.64Å; M260-F269 HydrophobicContact SD-CB 3.27Å; M260-F269 WeakPolarHBondContact SD-CB 3.31Å; M260-F269 HydrophobicContact SD-CD1 4.33Å; M260-F269 HydrophobicContact SD-CD2 4.08Å; M260-F269 HydrophobicContact SD-CG 3.66Å; Q265-F269 PolarHBondContact O-N 2.91Å; W266-F269 HydrophobicContact CE3-CD1 4.08Å; W266-F269 HydrophobicContact CE3-CE1 4.48Å; W266-F269 HydrophobicContact CZ3-CD1 4.21Å; W266-F269 HydrophobicContact CZ3-CE1 4.19Å; W266-F269 WeakPolarHBondContact O-CB 3.27Å; W266-F269 PolarHBondContact O-N 2.87Å; F269-R271 PolarHBondContact O-N 2.85Å; F269-H272 PolarHBondContact O-N 2.98Å; F269-K273 HydrophobicContact CD2-CB 3.81Å; F269-K273 HydrophobicContact CD2-CD 3.81Å; F269-K273 HydrophobicContact CD2-CG 4.15Å; F269-K273 HydrophobicContact CE2-CB 4.12Å; F269-K273 HydrophobicContact CE2-CD 3.69Å; F269-K273 HydrophobicContact CE2-CG 4.03Å; F269-K273 HydrophobicContact CG-CB 4.49Å; F269-K273 PolarHBondContact O-N 2.96Å; F269-L274 HydrophobicContact CE1-CB 4.49Å; F269-L274 HydrophobicContact CE1-CD1 3.83Å; F269-L274 HydrophobicContact CZ-CD1 3.97Å; F269-L274 PolarHBondContact O-N 3.13Å; F269-W277 HydrophobicContact CE2-CE3 4.45Å; F269-W277 AromaticContact CE2-CH2 3.58Å; F269-W277 HydrophobicContact CE2-CH2 3.58Å; F269-W277 HydrophobicContact CE2-CZ2 4.09Å; F269-W277 AromaticContact CE2-CZ3 3.79Å; F269-W277 HydrophobicContact CE2-CZ3 3.79Å; F269-W277 HydrophobicContact CZ-CE3 4.05Å; F269-W277 AromaticContact CZ-CH2 3.73Å; F269-W277 HydrophobicContact CZ-CH2 3.73Å; F269-W277 AromaticContact CZ-CZ3 3.44Å; F269-W277 HydrophobicContact CZ-CZ3 3.44Å; F269-W277 VanDerWaalsContact CZ-CZ3 3.44Å; F269-F306 AromaticContact CE1-CE1 3.92Å; F269-F306 HydrophobicContact CE1-CE1 3.92Å; F269-F306 AromaticContact CE1-CZ 3.76Å; F269-F306 HydrophobicContact CE1-CZ 3.76Å; F269-F306 HydrophobicContact CZ-CE1 4.36Å; F269-F306 HydrophobicContact CZ-CE2 4.26Å; F269-F306 AromaticContact CZ-CZ 3.89Å; F269-F306 HydrophobicContact CZ-CZ 3.89Å
270Y98.6Very high98.2Very high40 Ų4055 Ų5516%0.15727%0.274CS..Iπ-helixtrans-63.1-39.9177.6-60.6-36.2000112.5W266 R267 S268 L274 F306 Y314 W322W266-Y270 HydrophobicContact CB-CE2 4.02Å; W266-Y270 AromaticContact CE3-CE1 3.64Å; W266-Y270 HydrophobicContact CE3-CE1 3.64Å; W266-Y270 HydrophobicContact CE3-CE2 4.31Å; W266-Y270 AromaticContact CE3-CZ 3.46Å; W266-Y270 VanDerWaalsContact CE3-CZ 3.46Å; W266-Y270 HydrophobicContact CZ3-CE1 4.03Å; W266-Y270 WeakPolarHBondContact O-CD2 3.48Å; W266-Y270 PolarHBondContact O-N 3.14Å; R267-Y270 PolarHBondContact O-N 2.94Å; S268-Y270 PolarHBondContact O-N 3.45Å; Y270-L274 HydrophobicContact CD1-CD2 4Å; Y270-L274 WeakPolarHBondContact O-CB 3.43Å; Y270-F306 HydrophobicContact CE1-CE1 4.26Å; Y270-Y314 HydrophobicContact CD1-CD1 4.1Å; Y270-Y314 HydrophobicContact CD1-CD2 4.45Å; Y270-Y314 AromaticContact CD1-CG 3.89Å; Y270-Y314 HydrophobicContact CD1-CG 3.89Å; Y270-Y314 HydrophobicContact CD2-CD1 4.14Å; Y270-Y314 HydrophobicContact CD2-CG 4.33Å; Y270-Y314 AromaticContact CE1-CD1 3.63Å; Y270-Y314 HydrophobicContact CE1-CD1 3.63Å; Y270-Y314 HydrophobicContact CE1-CD2 4.39Å; Y270-Y314 AromaticContact CE1-CE1 3.97Å; Y270-Y314 HydrophobicContact CE1-CE1 3.97Å; Y270-Y314 AromaticContact CE1-CG 3.85Å; Y270-Y314 HydrophobicContact CE1-CG 3.85Å; Y270-Y314 AromaticContact CE2-CD1 3.67Å; Y270-Y314 HydrophobicContact CE2-CD1 3.67Å; Y270-Y314 HydrophobicContact CE2-CE1 4.39Å; Y270-Y314 HydrophobicContact CE2-CG 4.29Å; Y270-Y314 HydrophobicContact CG-CD1 4.35Å; Y270-Y314 HydrophobicContact CG-CG 4.16Å; Y270-Y314 AromaticContact CZ-CD1 3.39Å; Y270-Y314 AromaticContact CZ-CE1 3.73Å; Y270-W322 PolarHBondContact O-NE1 3.29Å
271R98.4Very high98.3Very high42 Ų4253.9 Ų53.916%0.15827%0.268CS..Iπ-helixtrans-70.5-36.2179.6-72.3173.2-178.4-164.8-10.9113.6R267 S268 F269 V315 D318 D320R267-R271 VanDerWaalsContact O-CG 3.31Å; R267-R271 WeakPolarHBondContact O-CG 3.26Å; R267-R271 PolarHBondContact O-N 3.05Å; S268-R271 PolarHBondContact O-N 3.46Å; F269-R271 PolarHBondContact O-N 2.85Å; R271-V315 HydrophobicContact CG-CG1 4.45Å; R271-D318 IonicContact CZ-OD1 3.57Å; R271-D318 IonicContact CZ-OD2 3.45Å; R271-D318 VanDerWaalsContact CZ-OD2 3.31Å; R271-D318 IonicContact NE-OD1 2.66Å; R271-D318 PolarHBondContact NE-OD1 3.1Å; R271-D318 IonicContact NE-OD2 3.65Å; R271-D318 PolarHBondContact NE-OD2 2.8Å; R271-D318 VanDerWaalsContact NH2-CG 3.29Å; R271-D318 IonicContact NH2-OD1 3.24Å; R271-D318 PolarHBondContact NH2-OD1 3.3Å; R271-D318 IonicContact NH2-OD2 2.68Å; R271-D318 PolarHBondContact NH2-OD2 2.89Å; R271-D318 VanDerWaalsContact NH2-OD2 3.11Å; R271-D320 VanDerWaalsContact CZ-CB 3.5Å; R271-D320 IonicContact CZ-OD2 3.06Å; R271-D320 IonicContact NH1-OD2 3.36Å; R271-D320 PolarHBondContact NH1-OD2 3.35Å; R271-D320 IonicContact NH2-OD2 3.97Å; R271-D320 PolarHBondContact NH2-OD2 3.47Å
272H98Very high98.4Very high116 Ų11647.8 Ų47.854%0.53724%0.239SC..Iπ-helixtrans-113.8-53-168.2-56.9-56.5000113.4S268 F269S268-H272 PolarHBondContact O-CD2 2.85Å; S268-H272 PolarHBondContact O-N 2.84Å; F269-H272 PolarHBondContact O-N 2.98Å
273K98.3Very high98.4Very high75 Ų7545.5 Ų45.533%0.32622%0.223SC..Iπ-helixtrans-78.5-41.7-174.8-172.7170.9-67.6-166.30111.7S257 F269 L275 K276 W277S257-K273 PolarHBondContact OG-NZ 2.74Å; F269-K273 HydrophobicContact CD2-CB 3.81Å; F269-K273 HydrophobicContact CD2-CD 3.81Å; F269-K273 HydrophobicContact CD2-CG 4.15Å; F269-K273 HydrophobicContact CE2-CB 4.12Å; F269-K273 HydrophobicContact CE2-CD 3.69Å; F269-K273 HydrophobicContact CE2-CG 4.03Å; F269-K273 HydrophobicContact CG-CB 4.49Å; F269-K273 PolarHBondContact O-N 2.96Å; K273-L275 VanDerWaalsContact C-N 3.27Å; K273-L275 PolarHBondContact O-N 2.98Å; K273-K276 PolarHBondContact O-N 3.25Å; K273-K276 VanDerWaalsContact O-N 3.12Å; K273-W277 HydrophobicContact CD-CH2 4.27Å; K273-W277 HydrophobicContact CD-CZ2 3.47Å; K273-W277 VanDerWaalsContact CD-CZ2 3.47Å; K273-W277 HydrophobicContact CG-CD2 4.28Å; K273-W277 HydrophobicContact CG-CZ2 3.88Å; K273-W277 PolarHBondContact O-N 2.93Å; K273-W277 VanDerWaalsContact O-N 3.13Å
274L98.6Very high98.5Very high0 Ų040.1 Ų40.10%019%0.188CC..Hα-helixtrans-66.6-28.6-178.1-155.275.8000112.6F269 Y270 W277 W278 F306 M311 Y314F269-L274 HydrophobicContact CE1-CB 4.49Å; F269-L274 HydrophobicContact CE1-CD1 3.83Å; F269-L274 HydrophobicContact CZ-CD1 3.97Å; F269-L274 PolarHBondContact O-N 3.13Å; Y270-L274 HydrophobicContact CD1-CD2 4Å; Y270-L274 WeakPolarHBondContact O-CB 3.43Å; L274-W277 HydrophobicContact CD1-CE3 3.93Å; L274-W277 PolarHBondContact O-N 3.12Å; L274-W278 VanDerWaalsContact O-CB 3.28Å; L274-W278 WeakPolarHBondContact O-CB 3.47Å; L274-W278 PolarHBondContact O-N 2.94Å; L274-F306 HydrophobicContact CD1-CD1 3.76Å; L274-F306 HydrophobicContact CD1-CE1 4.13Å; L274-F306 HydrophobicContact CD1-CG 4.16Å; L274-M311 HydrophobicContact CD1-CE 4.33Å; L274-M311 HydrophobicContact CD1-CG 4.13Å; L274-M311 HydrophobicContact CD1-SD 4.14Å; L274-M311 HydrophobicContact CD2-CB 3.77Å; L274-M311 HydrophobicContact CD2-CG 4.09Å; L274-M311 VanDerWaalsContact CD2-O 3.32Å; L274-M311 WeakPolarHBondContact CD2-O 3.48Å; L274-M311 HydrophobicContact CG-CB 3.97Å; L274-M311 HydrophobicContact CG-CG 3.98Å; L274-M311 HydrophobicContact CG-SD 4.09Å; L274-Y314 HydrophobicContact CD2-CD2 3.74Å; L274-Y314 HydrophobicContact CD2-CE2 4.48Å; L274-Y314 HydrophobicContact CD2-CG 4.33Å
275L98.8Very high98.5Very high9 Ų939.6 Ų39.65%0.04718%0.183CC..Hα-helixtrans-56.9-50.9169.2169.459.1000111.5T140 Y143 K273 W277 W278 A279 W322T140-L275 HydrophobicContact CG2-CD1 4.3Å; T140-L275 HydrophobicContact CG2-CD2 4.33Å; T140-L275 HydrophobicContact CG2-CG 3.98Å; Y143-L275 HydrophobicContact CD2-CD2 4.02Å; Y143-L275 HydrophobicContact CG-CD2 4.1Å; K273-L275 VanDerWaalsContact C-N 3.27Å; K273-L275 PolarHBondContact O-N 2.98Å; L275-W277 VanDerWaalsContact C-N 3.34Å; L275-W277 PolarHBondContact O-N 3.04Å; L275-W278 HydrophobicContact CD1-CE3 4.22Å; L275-W278 PolarHBondContact O-N 2.54Å; L275-A279 WeakPolarHBondContact O-CB 3.37Å; L275-A279 PolarHBondContact O-N 3.46Å; L275-W322 HydrophobicContact CB-CD2 3.84Å; L275-W322 HydrophobicContact CB-CG 3.79Å; L275-W322 HydrophobicContact CB-CZ2 4.48Å; L275-W322 HydrophobicContact CD1-CB 4.07Å; L275-W322 HydrophobicContact CD1-CD2 3.64Å; L275-W322 HydrophobicContact CD1-CE3 3.58Å; L275-W322 HydrophobicContact CD1-CG 3.85Å; L275-W322 HydrophobicContact CD1-CZ3 4.24Å; L275-W322 HydrophobicContact CD2-CB 4.12Å; L275-W322 HydrophobicContact CD2-CG 4.26Å; L275-W322 HydrophobicContact CG-CB 4.46Å; L275-W322 HydrophobicContact CG-CD2 4.26Å; L275-W322 HydrophobicContact CG-CG 4.15Å
276K98.7Very high98.5Very high86 Ų8635.7 Ų35.737%0.37417%0.165SC..Hα-helixtrans-63.8-41.6-178.3-62.9-167.8176.4-163.20111T140 E144 K273 Q280T140-K276 HydrophobicContact CG2-CG 4.42Å; E144-K276 VanDerWaalsContact OE2-CE 3.26Å; E144-K276 WeakPolarHBondContact OE2-CE 3.35Å; E144-K276 IonicContact OE2-NZ 3.52Å; E144-K276 PolarHBondContact OE2-NZ 2.87Å; K273-K276 PolarHBondContact O-N 3.25Å; K273-K276 VanDerWaalsContact O-N 3.12Å; K276-Q280 WeakPolarHBondContact O-CB 3.12Å; K276-Q280 PolarHBondContact O-N 2.92Å; K276-Q280 VanDerWaalsContact O-N 3.07Å
277W98.8Very high98.5Very high14 Ų1434.8 Ų34.85%0.05317%0.167CC..Hα-helixtrans-65.1-45.3176-64.6-1.2000112.1K255 F269 K273 L274 L275 A279 Q280 S281 V289 A291 F306 M311K255-W277 HydrophobicContact CB-CD2 4.27Å; K255-W277 HydrophobicContact CB-CH2 3.72Å; K255-W277 HydrophobicContact CB-CZ2 3.35Å; K255-W277 HydrophobicContact CB-CZ3 4.3Å; K255-W277 HydrophobicContact CG-CD2 3.95Å; K255-W277 HydrophobicContact CG-CG 4.27Å; K255-W277 HydrophobicContact CG-CH2 4.45Å; K255-W277 HydrophobicContact CG-CZ2 3.88Å; F269-W277 HydrophobicContact CE2-CE3 4.45Å; F269-W277 AromaticContact CE2-CH2 3.58Å; F269-W277 HydrophobicContact CE2-CH2 3.58Å; F269-W277 HydrophobicContact CE2-CZ2 4.09Å; F269-W277 AromaticContact CE2-CZ3 3.79Å; F269-W277 HydrophobicContact CE2-CZ3 3.79Å; F269-W277 HydrophobicContact CZ-CE3 4.05Å; F269-W277 AromaticContact CZ-CH2 3.73Å; F269-W277 HydrophobicContact CZ-CH2 3.73Å; F269-W277 AromaticContact CZ-CZ3 3.44Å; F269-W277 HydrophobicContact CZ-CZ3 3.44Å; F269-W277 VanDerWaalsContact CZ-CZ3 3.44Å; K273-W277 HydrophobicContact CD-CH2 4.27Å; K273-W277 HydrophobicContact CD-CZ2 3.47Å; K273-W277 VanDerWaalsContact CD-CZ2 3.47Å; K273-W277 HydrophobicContact CG-CD2 4.28Å; K273-W277 HydrophobicContact CG-CZ2 3.88Å; K273-W277 PolarHBondContact O-N 2.93Å; K273-W277 VanDerWaalsContact O-N 3.13Å; L274-W277 HydrophobicContact CD1-CE3 3.93Å; L274-W277 PolarHBondContact O-N 3.12Å; L275-W277 VanDerWaalsContact C-N 3.34Å; L275-W277 PolarHBondContact O-N 3.04Å; W277-A279 PolarHBondContact O-N 2.94Å; W277-Q280 PolarHBondContact O-N 2.6Å; W277-S281 PolarHBondContact O-N 3.25Å; W277-S281 PolarHBondContact O-OG 2.8Å; W277-V289 HydrophobicContact CD2-CG1 4.24Å; W277-V289 HydrophobicContact CE3-CG1 3.91Å; W277-V289 HydrophobicContact CZ3-CG1 4.39Å; W277-A291 HydrophobicContact CH2-CB 3.62Å; W277-A291 HydrophobicContact CZ3-CB 3.71Å; W277-F306 HydrophobicContact CZ3-CD2 4.07Å; W277-F306 HydrophobicContact CZ3-CE2 4.12Å; W277-M311 HydrophobicContact CB-CE 4.15Å; W277-M311 HydrophobicContact CB-SD 4.33Å
278W98.9Very high98.5Very high7 Ų730.7 Ų30.73%0.02716%0.155CC..Hα-helixtrans-57.7-52.2176.2169.778.4000110.8L139 L274 L275 Q280 S281 F282 M311 W322 P324 C327 M328L139-W278 HydrophobicContact CD2-CH2 4.19Å; L139-W278 HydrophobicContact CD2-CZ3 4.04Å; L274-W278 VanDerWaalsContact O-CB 3.28Å; L274-W278 WeakPolarHBondContact O-CB 3.47Å; L274-W278 PolarHBondContact O-N 2.94Å; L275-W278 HydrophobicContact CD1-CE3 4.22Å; L275-W278 PolarHBondContact O-N 2.54Å; W278-Q280 VanDerWaalsContact C-N 3.32Å; W278-Q280 PolarHBondContact O-N 3.25Å; W278-S281 PolarHBondContact O-N 3.07Å; W278-F282 HydrophobicContact CD2-CB 4.4Å; W278-F282 AromaticContact CE2-CG 3.91Å; W278-F282 HydrophobicContact CH2-CD1 4.41Å; W278-F282 HydrophobicContact CZ2-CB 4.24Å; W278-F282 AromaticContact CZ2-CD1 3.86Å; W278-F282 HydrophobicContact CZ2-CD1 3.86Å; W278-F282 HydrophobicContact CZ2-CD2 4.23Å; W278-F282 HydrophobicContact CZ2-CE1 4.33Å; W278-F282 AromaticContact CZ2-CG 3.82Å; W278-F282 HydrophobicContact CZ2-CG 3.82Å; W278-F282 AromaticContact NE1-CD2 3.82Å; W278-F282 AromaticContact NE1-CG 3.88Å; W278-F282 WeakPolarHBondContact O-CA 3.08Å; W278-F282 WeakPolarHBondContact O-CB 3.48Å; W278-F282 PolarHBondContact O-N 3.4Å; W278-M311 WeakPolarHBondContact CA-SD 3.24Å; W278-M311 HydrophobicContact CB-CB 4.19Å; W278-M311 HydrophobicContact CB-SD 3.6Å; W278-M311 PolarHBondContact N-SD 2.96Å; W278-W322 HydrophobicContact CB-CH2 3.49Å; W278-W322 VanDerWaalsContact CB-CH2 3.49Å; W278-W322 HydrophobicContact CB-CZ2 4.21Å; W278-W322 HydrophobicContact CB-CZ3 4.08Å; W278-W322 AromaticContact CD2-CH2 3.81Å; W278-W322 HydrophobicContact CD2-CH2 3.81Å; W278-W322 AromaticContact CD2-CZ3 3.49Å; W278-W322 HydrophobicContact CD2-CZ3 3.49Å; W278-W322 VanDerWaalsContact CD2-CZ3 3.49Å; W278-W322 HydrophobicContact CE3-CE3 4.21Å; W278-W322 HydrophobicContact CE3-CH2 4.17Å; W278-W322 AromaticContact CE3-CZ3 3.52Å; W278-W322 HydrophobicContact CE3-CZ3 3.52Å; W278-W322 AromaticContact CG-CH2 3.47Å; W278-W322 HydrophobicContact CG-CH2 3.47Å; W278-W322 VanDerWaalsContact CG-CH2 3.47Å; W278-W322 AromaticContact CG-CZ3 3.71Å; W278-W322 HydrophobicContact CG-CZ3 3.71Å; W278-W322 HydrophobicContact CZ3-CZ3 4.25Å; W278-P324 HydrophobicContact CH2-CB 3.79Å; W278-P324 HydrophobicContact CZ2-CB 3.53Å; W278-P324 HydrophobicContact CZ2-CG 4.1Å; W278-C327 HydrophobicContact CH2-CB 3.94Å; W278-C327 HydrophobicContact CZ3-CB 3.64Å; W278-M328 HydrophobicContact CH2-CG 4.15Å; W278-M328 HydrophobicContact CH2-SD 4.19Å
279A98.8Very high98.6Very high0 Ų027.8 Ų27.80%014%0.135CC..Hα-helixtrans-60.1-42.7-17800000111.8T136 L139 T140 L275 W277 L283T136-A279 HydrophobicContact CG2-CB 3.9Å; L139-A279 HydrophobicContact CB-CB 3.93Å; L139-A279 HydrophobicContact CD2-CB 3.81Å; T140-A279 HydrophobicContact CG2-CB 4.01Å; L275-A279 WeakPolarHBondContact O-CB 3.37Å; L275-A279 PolarHBondContact O-N 3.46Å; W277-A279 PolarHBondContact O-N 2.94Å; A279-L283 WeakPolarHBondContact O-CD1 3.43Å; A279-L283 WeakPolarHBondContact O-CG 3.5Å; A279-L283 PolarHBondContact O-N 3.15Å
280Q98.7Very high98.6Very high36 Ų3627.4 Ų27.417%0.16813%0.134CC..Hα-helixtrans-65.8-39.3-179.6-172.1-170.70.900113.5R132 T136 E253 K276 W277 W278 P284R132-Q280 WeakPolarHBondContact CD-O 3.38Å; R132-Q280 PolarHBondContact NH1-O 2.94Å; T136-Q280 HydrophobicContact CG2-CB 4.29Å; E253-Q280 PolarHBondContact OE1-NE2 3.2Å; E253-Q280 PolarHBondContact OE1-OE1 3.04Å; K276-Q280 WeakPolarHBondContact O-CB 3.12Å; K276-Q280 PolarHBondContact O-N 2.92Å; K276-Q280 VanDerWaalsContact O-N 3.07Å; W277-Q280 PolarHBondContact O-N 2.6Å; W278-Q280 VanDerWaalsContact C-N 3.32Å; W278-Q280 PolarHBondContact O-N 3.25Å; Q280-P284 WeakPolarHBondContact O-CD 3.22Å; Q280-P284 WeakPolarHBondContact O-CG 3.15Å
281S98.8Very high98.6Very high0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-93-27.2-176.6-57.50000113W277 W278 P284 G285 V286 V289W277-S281 PolarHBondContact O-N 3.25Å; W277-S281 PolarHBondContact O-OG 2.8Å; W278-S281 PolarHBondContact O-N 3.07Å; S281-P284 WeakPolarHBondContact O-CD 3.36Å; S281-G285 PolarHBondContact O-N 3.13Å; S281-V286 PolarHBondContact O-N 2.73Å; S281-V289 VanDerWaalsContact OG-CG2 3.27Å; S281-V289 WeakPolarHBondContact OG-CG2 3.39Å
282F98.8Very high98.6Very high26 Ų2623.5 Ų23.511%0.11412%0.119CC..Hα-helixtrans-65.3-45.7177.6177.8-98.1000111.9F40 Y43 W278 G285 T308 M309 M328F40-F282 HydrophobicContact CE1-CZ 4.21Å; F40-F282 AromaticContact CZ-CE1 3.93Å; F40-F282 HydrophobicContact CZ-CE1 3.93Å; F40-F282 HydrophobicContact CZ-CE2 4.43Å; F40-F282 AromaticContact CZ-CZ 3.55Å; F40-F282 HydrophobicContact CZ-CZ 3.55Å; Y43-F282 HydrophobicContact CD1-CD1 4.46Å; Y43-F282 AromaticContact CD1-CE1 3.54Å; Y43-F282 HydrophobicContact CD1-CE1 3.54Å; Y43-F282 AromaticContact CD1-CZ 3.78Å; Y43-F282 HydrophobicContact CD1-CZ 3.78Å; Y43-F282 HydrophobicContact CE1-CD1 4.39Å; Y43-F282 AromaticContact CE1-CE1 3.88Å; Y43-F282 HydrophobicContact CE1-CE1 3.88Å; Y43-F282 HydrophobicContact CE1-CZ 4.41Å; Y43-F282 HydrophobicContact CG-CE1 4.18Å; Y43-F282 HydrophobicContact CG-CZ 4.5Å; W278-F282 HydrophobicContact CD2-CB 4.4Å; W278-F282 AromaticContact CE2-CG 3.91Å; W278-F282 HydrophobicContact CH2-CD1 4.41Å; W278-F282 HydrophobicContact CZ2-CB 4.24Å; W278-F282 AromaticContact CZ2-CD1 3.86Å; W278-F282 HydrophobicContact CZ2-CD1 3.86Å; W278-F282 HydrophobicContact CZ2-CD2 4.23Å; W278-F282 HydrophobicContact CZ2-CE1 4.33Å; W278-F282 AromaticContact CZ2-CG 3.82Å; W278-F282 HydrophobicContact CZ2-CG 3.82Å; W278-F282 AromaticContact NE1-CD2 3.82Å; W278-F282 AromaticContact NE1-CG 3.88Å; W278-F282 WeakPolarHBondContact O-CA 3.08Å; W278-F282 WeakPolarHBondContact O-CB 3.48Å; W278-F282 PolarHBondContact O-N 3.4Å; F282-G285 PolarHBondContact O-N 3.47Å; F282-T308 HydrophobicContact CB-CG2 3.95Å; F282-M309 HydrophobicContact CD2-SD 4.07Å; F282-M309 HydrophobicContact CE2-CE 4.46Å; F282-M309 HydrophobicContact CE2-SD 4.05Å; F282-M328 HydrophobicContact CD1-SD 4.1Å; F282-M328 HydrophobicContact CE1-CE 3.91Å; F282-M328 HydrophobicContact CE1-CG 4.46Å; F282-M328 HydrophobicContact CE1-SD 3.84Å
283L98.8Very high98.6Very high1 Ų118.4 Ų18.41%0.00510%0.095CC..THydrogen-bonded Turntrans-53.9-55.2179.7-74.2167.6000112.9Y43 P46 R132 L135 L139 F231 A279 G285Y43-L283 HydrophobicContact CE2-CD2 4.46Å; Y43-L283 WeakPolarHBondContact OH-CA 3.32Å; Y43-L283 PolarHBondContact OH-O 3.03Å; P46-L283 WeakPolarHBondContact CG-O 3.28Å; R132-L283 HydrophobicContact CG-CB 4.27Å; R132-L283 HydrophobicContact CG-CD1 4.45Å; L135-L283 HydrophobicContact CB-CD1 3.59Å; L135-L283 HydrophobicContact CB-CD2 4.28Å; L135-L283 HydrophobicContact CD1-CD2 4.48Å; L139-L283 HydrophobicContact CD1-CD1 4.36Å; L139-L283 HydrophobicContact CD1-CD2 4.05Å; L139-L283 HydrophobicContact CD2-CD1 4.05Å; L139-L283 HydrophobicContact CD2-CD2 4.02Å; L139-L283 HydrophobicContact CD2-CG 3.86Å; F231-L283 HydrophobicContact CE2-CB 4.49Å; F231-L283 WeakPolarHBondContact CZ-O 3.36Å; A279-L283 WeakPolarHBondContact O-CD1 3.43Å; A279-L283 WeakPolarHBondContact O-CG 3.5Å; A279-L283 PolarHBondContact O-N 3.15Å; L283-G285 PolarHBondContact O-N 3.26Å
284P98.5Very high98.6Very high2 Ų216.2 Ų16.21%0.0138%0.084CC..THydrogen-bonded Turntrans-77.6-4.6177.232.8-38.2000113.5R132 L220 F231 P248 Q280 S281 V286R132-P284 HydrophobicContact CG-CG 4.48Å; L220-P284 HydrophobicContact CD1-CB 3.9Å; L220-P284 HydrophobicContact CD2-CB 4.06Å; L220-P284 WeakPolarHBondContact CD2-O 3.46Å; F231-P284 HydrophobicContact CE2-CB 4.43Å; P248-P284 WeakPolarHBondContact CB-O 3.49Å; P248-P284 WeakPolarHBondContact CG-O 3.26Å; Q280-P284 WeakPolarHBondContact O-CD 3.22Å; Q280-P284 WeakPolarHBondContact O-CG 3.15Å; S281-P284 WeakPolarHBondContact O-CD 3.36Å; P284-V286 HydrophobicContact CB-CG2 4.16Å; P284-V286 HydrophobicContact CG-CB 4.38Å; P284-V286 HydrophobicContact CG-CG2 3.72Å
285G98.3Very high98.6Very high24 Ų2417.6 Ų17.625%0.2479%0.092CC..THydrogen-bonded Turntrans74.426.2-177.100000114.1S281 F282 L283 P287S281-G285 PolarHBondContact O-N 3.13Å; F282-G285 PolarHBondContact O-N 3.47Å; L283-G285 PolarHBondContact O-N 3.26Å; G285-P287 WeakPolarHBondContact O-CD 3.49Å
286V98.5Very high98.5Very high3 Ų322.3 Ų22.32%0.01812%0.123CC..  trans-73.7115.7174174.80000108.4E253 S281 P284 T308E253-V286 HydrophobicContact CB-CG1 4.19Å; S281-V286 PolarHBondContact O-N 2.73Å; P284-V286 HydrophobicContact CB-CG2 4.16Å; P284-V286 HydrophobicContact CG-CB 4.38Å; P284-V286 HydrophobicContact CG-CG2 3.72Å; V286-T308 WeakPolarHBondContact O-CB 3.46Å; V286-T308 PolarHBondContact O-OG1 2.89Å
287P98.2Very high98.4Very high42 Ų4223 Ų2327%0.27313%0.131SC..  trans-78.3-23.7-166.729.1-36.4000114.4T249 Y251 G285 P307 T308T249-P287 WeakPolarHBondContact O-CG 3.47Å; Y251-P287 WeakPolarHBondContact O-CD 3.45Å; G285-P287 WeakPolarHBondContact O-CD 3.49Å; P287-P307 CarbonylContact O-C 3.57Å; P287-P307 WeakPolarHBondContact O-CA 3.14Å; P287-T308 PolarHBondContact O-N 3.27Å; P287-T308 PolarHBondContact O-OG1 3.22Å
288N98.5Very high98.3Very high49 Ų4922.3 Ų22.326%0.26213%0.128SC..EExtended strand (participates in β ladder)trans-133.3134.3-171.7-66.5-52000111.7E253 T305E253-N288 PolarHBondContact N-O 3.42Å; N288-T305 HydrophobicContact CB-CG2 4.01Å
289V98.9Very high98.3Very high0 Ų024.9 Ų24.90%014%0.139CC..EExtended strand (participates in β ladder)trans-111.1118165.8-174.90000108.8E253 K255 W277 S281 F306 M311E253-V289 HydrophobicContact CB-CB 4.4Å; E253-V289 HydrophobicContact CB-CG1 4.28Å; E253-V289 HydrophobicContact CB-CG2 3.98Å; E253-V289 HydrophobicContact CG-CG1 4.2Å; E253-V289 HydrophobicContact CG-CG2 4.34Å; E253-V289 CarbonylContact O-C 3.52Å; E253-V289 VanDerWaalsContact O-CA 3.28Å; E253-V289 WeakPolarHBondContact O-CA 3.27Å; K255-V289 HydrophobicContact CB-CG1 4.14Å; K255-V289 HydrophobicContact CG-CG1 3.54Å; W277-V289 HydrophobicContact CD2-CG1 4.24Å; W277-V289 HydrophobicContact CE3-CG1 3.91Å; W277-V289 HydrophobicContact CZ3-CG1 4.39Å; S281-V289 VanDerWaalsContact OG-CG2 3.27Å; S281-V289 WeakPolarHBondContact OG-CG2 3.39Å; V289-F306 PolarHBondContact N-O 3.45Å; V289-F306 PolarHBondContact O-N 3.27Å; V289-M311 HydrophobicContact CB-CE 3.66Å; V289-M311 HydrophobicContact CG2-CE 3.33Å
290V98.8Very high98.3Very high4 Ų424.9 Ų24.92%0.02414%0.139CC..EExtended strand (participates in β ladder)trans-97.8116.9177.2179.50000109Y70 M195 V252 E253 L254 K255 L303 T305Y70-V290 HydrophobicContact CE2-CB 4.41Å; Y70-V290 HydrophobicContact CE2-CG1 4.32Å; Y70-V290 HydrophobicContact CE2-CG2 4.1Å; M195-V290 HydrophobicContact CE-CG1 4.16Å; V252-V290 HydrophobicContact CG1-CB 4.27Å; V252-V290 HydrophobicContact CG1-CG2 3.62Å; E253-V290 PolarHBondContact O-N 2.76Å; L254-V290 WeakPolarHBondContact CA-O 3.41Å; L254-V290 HydrophobicContact CD2-CB 3.94Å; K255-V290 PolarHBondContact N-O 3.44Å; V290-L303 HydrophobicContact CG1-CD2 4.26Å; V290-T305 HydrophobicContact CG2-CG2 4.29Å
291A98.8Very high98.1Very high0 Ų025.6 Ų25.60%015%0.149CC..EExtended strand (participates in β ladder)trans-102.2126.8-177.800000111.9K255 W277 F293 L303 K304 F306K255-A291 CarbonylContact O-C 3.49Å; K255-A291 VanDerWaalsContact O-CA 3.22Å; K255-A291 WeakPolarHBondContact O-CA 3.45Å; W277-A291 HydrophobicContact CH2-CB 3.62Å; W277-A291 HydrophobicContact CZ3-CB 3.71Å; A291-F293 HydrophobicContact CB-CE2 4.48Å; A291-F293 HydrophobicContact CB-CZ 4.16Å; A291-L303 CarbonylContact O-C 3.53Å; A291-L303 VanDerWaalsContact O-CA 3.3Å; A291-L303 WeakPolarHBondContact O-CA 3.46Å; A291-K304 PolarHBondContact N-O 3.06Å; A291-K304 PolarHBondContact O-N 3.32Å; A291-F306 HydrophobicContact CB-CD2 4.08Å; A291-F306 HydrophobicContact CB-CE2 3.79Å
292G98.7Very high98Very high0 Ų027.9 Ų27.90%016%0.164CC..EExtended strand (participates in β ladder)trans-88.9121.1162.100000111.2F191 K255 T256 S257F191-G292 VanDerWaalsContact CZ-N 3.34Å; K255-G292 PolarHBondContact O-N 2.87Å; T256-G292 VanDerWaalsContact CA-O 3.31Å; T256-G292 WeakPolarHBondContact CA-O 3.17Å; S257-G292 PolarHBondContact N-O 3.43Å
293F98.6Very high98Very high8 Ų829.2 Ų29.24%0.03517%0.173CC..EExtended strand (participates in β ladder)trans-91.4116.9174.7-60.3-73.4000110.5S257 E259 M260 W266 A291 V300 S301 S302 K304 F306S257-F293 CarbonylContact O-C 3.32Å; S257-F293 VanDerWaalsContact O-CA 3.26Å; S257-F293 WeakPolarHBondContact O-CA 3.35Å; E259-F293 HydrophobicContact CG-CB 3.71Å; M260-F293 HydrophobicContact CE-CD1 4.04Å; M260-F293 HydrophobicContact CE-CE1 3.45Å; M260-F293 VanDerWaalsContact CE-CE1 3.45Å; M260-F293 HydrophobicContact CE-CZ 4.2Å; W266-F293 HydrophobicContact CH2-CE1 4.14Å; W266-F293 HydrophobicContact CH2-CE2 4.03Å; W266-F293 AromaticContact CH2-CZ 3.58Å; W266-F293 HydrophobicContact CH2-CZ 3.58Å; W266-F293 HydrophobicContact CZ3-CZ 4.1Å; A291-F293 HydrophobicContact CB-CE2 4.48Å; A291-F293 HydrophobicContact CB-CZ 4.16Å; F293-V300 WeakPolarHBondContact O-CA 3.29Å; F293-S301 PolarHBondContact O-N 3.22Å; F293-S302 PolarHBondContact N-O 3.48Å; F293-K304 HydrophobicContact CE2-CB 3.59Å; F293-K304 HydrophobicContact CE2-CD 4.21Å; F293-K304 HydrophobicContact CZ-CB 4.29Å; F293-K304 HydrophobicContact CZ-CD 4.42Å; F293-F306 AromaticContact CZ-CE2 3.92Å; F293-F306 HydrophobicContact CZ-CE2 3.92Å; F293-F306 HydrophobicContact CZ-CZ 4.02Å
294R98.1Very high97.9Very high30 Ų3032.9 Ų32.911%0.11319%0.188CC..EExtended strand (participates in β ladder)trans-93.7136.8-178.560.2168.5-166.379.3-5.1112.4L84 S257 E259 F299 V300L84-R294 HydrophobicContact CD1-CB 4.19Å; S257-R294 WeakPolarHBondContact O-CG 3.33Å; S257-R294 PolarHBondContact O-N 2.84Å; E259-R294 PolarHBondContact N-O 3.24Å; R294-F299 CarbonylContact C-O 3.53Å; R294-F299 WeakPolarHBondContact CA-O 3.36Å; R294-V300 HydrophobicContact CB-CG2 4.07Å
295N97.3Very high97.9Very high28 Ų2836 Ų3615%0.1521%0.208CC..  trans-75176.3170.375.27000111D297 G298 F299N295-D297 VanDerWaalsContact C-N 3.26Å; N295-D297 PolarHBondContact O-N 2.8Å; N295-D297 WeakPolarHBondContact OD1-CA 3.4Å; N295-D297 PolarHBondContact OD1-N 2.73Å; N295-G298 PolarHBondContact O-N 3.11Å; N295-G298 PolarHBondContact OD1-N 2.67Å; N295-F299 PolarHBondContact N-O 3.02Å; N295-F299 PolarHBondContact OD1-N 3.48Å; N295-F299 PolarHBondContact OD1-O 2.92Å
296P96.2Very high98Very high108 Ų10834.9 Ų34.970%0.70120%0.196SC*.THydrogen-bonded Turntrans-62.1-28.6176.9-25.937000114.7G298P296-G298 VanDerWaalsContact C-N 3.25Å; P296-G298 PolarHBondContact O-N 2.8Å
297D97.1Very high98Very high101 Ų10136.8 Ų36.854%0.5421%0.208SC..THydrogen-bonded Turntrans-78.8-9.5-179.2-57.1-47.5000113.1R85 N295 F299R85-D297 PolarHBondContact NH1-O 3.48Å; N295-D297 VanDerWaalsContact C-N 3.26Å; N295-D297 PolarHBondContact O-N 2.8Å; N295-D297 WeakPolarHBondContact OD1-CA 3.4Å; N295-D297 PolarHBondContact OD1-N 2.73Å; D297-F299 HydrophobicContact CB-CD2 3.97Å; D297-F299 HydrophobicContact CB-CE2 4.29Å
298G97.6Very high98Very high0 Ų035 Ų350%020%0.196CC..SBendtrans99.48.4175.400000114.9L84 M187 N295 P296L84-G298 VanDerWaalsContact CB-O 3.23Å; L84-G298 WeakPolarHBondContact CB-O 3.17Å; L84-G298 WeakPolarHBondContact CG-O 3.48Å; L84-G298 PolarHBondContact N-O 2.79Å; L84-G298 VanDerWaalsContact N-O 3.11Å; M187-G298 VanDerWaalsContact CE-CA 3.42Å; N295-G298 PolarHBondContact O-N 3.11Å; N295-G298 PolarHBondContact OD1-N 2.67Å; P296-G298 VanDerWaalsContact C-N 3.25Å; P296-G298 PolarHBondContact O-N 2.8Å
299F98.6Very high98Very high60 Ų6039.3 Ų39.326%0.26322%0.217SC..EExtended strand (participates in β ladder)trans-91.6138.2178.8-67.8-99000111.8F82 D83 R294 N295 D297F82-F299 CarbonylContact O-C 3.36Å; F82-F299 WeakPolarHBondContact O-CA 3.17Å; D83-F299 HydrophobicContact CB-CD1 3.98Å; D83-F299 HydrophobicContact CB-CE1 3.49Å; D83-F299 VanDerWaalsContact CB-CE1 3.49Å; D83-F299 HydrophobicContact CB-CZ 3.98Å; R294-F299 CarbonylContact C-O 3.53Å; R294-F299 WeakPolarHBondContact CA-O 3.36Å; N295-F299 PolarHBondContact N-O 3.02Å; N295-F299 PolarHBondContact OD1-N 3.48Å; N295-F299 PolarHBondContact OD1-O 2.92Å; D297-F299 HydrophobicContact CB-CD2 3.97Å; D297-F299 HydrophobicContact CB-CE2 4.29Å
300V98.5Very high98Very high0 Ų045.6 Ų45.60%024%0.244CC..EExtended strand (participates in β ladder)trans-90.1112.9166.5172.30000109.6P80 N81 F82 L84 F191 F293 R294 S302 L303P80-V300 CarbonylContact C-O 3.51Å; N81-V300 WeakPolarHBondContact CA-O 3.3Å; N81-V300 PolarHBondContact N-O 3.18Å; F82-V300 HydrophobicContact CB-CB 4.2Å; F82-V300 HydrophobicContact CD2-CB 3.95Å; F82-V300 HydrophobicContact CD2-CG1 3.98Å; F82-V300 PolarHBondContact N-O 3Å; F82-V300 VanDerWaalsContact N-O 3.13Å; F82-V300 PolarHBondContact O-N 3.47Å; L84-V300 HydrophobicContact CD1-CG2 3.54Å; L84-V300 HydrophobicContact CD2-CG2 4.07Å; L84-V300 HydrophobicContact CG-CG2 3.9Å; F191-V300 HydrophobicContact CD2-CG2 4.15Å; F191-V300 HydrophobicContact CE2-CG1 4.16Å; F191-V300 HydrophobicContact CE2-CG2 4.49Å; F293-V300 WeakPolarHBondContact O-CA 3.29Å; R294-V300 HydrophobicContact CB-CG2 4.07Å; V300-S302 WeakPolarHBondContact CG1-O 3.31Å; V300-L303 HydrophobicContact CG1-CD2 4.43Å
301S94.5Very high98Very high52 Ų5245.4 Ų45.436%0.36424%0.243SC..EExtended strand (participates in β ladder)trans-109.4-5.5-177.3-54.70000113.3P80 F293P80-S301 WeakPolarHBondContact O-CA 3.39Å; F293-S301 PolarHBondContact O-N 3.22Å
302S96.9Very high98Very high47 Ų4747 Ų4733%0.32925%0.25SS..EExtended strand (participates in β ladder)trans-149148.7175.2620000112.6F293 V300F293-S302 PolarHBondContact N-O 3.48Å; V300-S302 WeakPolarHBondContact CG1-O 3.31Å
303L98.2Very high97.9Very high55 Ų5551.8 Ų51.829%0.28827%0.272SS..EExtended strand (participates in β ladder)trans-119.7144.8177.8-70.1166.4000110P73 P80 F82 F191 M195 V290 A291 V300P73-L303 HydrophobicContact CG-CD1 4.04Å; P80-L303 HydrophobicContact CB-CD1 4.18Å; P80-L303 HydrophobicContact CB-CG 4.34Å; P80-L303 HydrophobicContact CG-CD1 4.11Å; P80-L303 HydrophobicContact CG-CG 4.02Å; F82-L303 HydrophobicContact CE2-CD1 4.39Å; F191-L303 HydrophobicContact CE2-CD2 3.71Å; F191-L303 HydrophobicContact CZ-CD2 3.6Å; M195-L303 HydrophobicContact CE-CD1 3.94Å; M195-L303 HydrophobicContact CE-CD2 4.09Å; M195-L303 HydrophobicContact SD-CD1 3.94Å; M195-L303 HydrophobicContact SD-CD2 3.98Å; V290-L303 HydrophobicContact CG1-CD2 4.26Å; A291-L303 CarbonylContact O-C 3.53Å; A291-L303 VanDerWaalsContact O-CA 3.3Å; A291-L303 WeakPolarHBondContact O-CA 3.46Å; V300-L303 HydrophobicContact CG1-CD2 4.43Å
304K98Very high97.9Very high77 Ų7755.7 Ų55.734%0.33529%0.288SS..EExtended strand (participates in β ladder)trans-146.2129.6171.8-175.9176.6173.279.20111.1W266 A291 F293 F306W266-K304 HydrophobicContact CH2-CD 4.15Å; A291-K304 PolarHBondContact N-O 3.06Å; A291-K304 PolarHBondContact O-N 3.32Å; F293-K304 HydrophobicContact CE2-CB 3.59Å; F293-K304 HydrophobicContact CE2-CD 4.21Å; F293-K304 HydrophobicContact CZ-CB 4.29Å; F293-K304 HydrophobicContact CZ-CD 4.42Å; K304-F306 HydrophobicContact CB-CE2 3.99Å; K304-F306 HydrophobicContact CD-CE1 4.1Å; K304-F306 HydrophobicContact CD-CE2 3.8Å; K304-F306 HydrophobicContact CD-CZ 3.48Å; K304-F306 VanDerWaalsContact CD-CZ 3.48Å; K304-F306 HydrophobicContact CG-CD2 4.33Å; K304-F306 HydrophobicContact CG-CE2 3.82Å; K304-F306 HydrophobicContact CG-CZ 4.01Å; K304-F306 WeakPolarHBondContact O-CD2 3.27Å
305T98.5Very high97.9Very high68 Ų6854.4 Ų54.442%0.41728%0.283SS..EExtended strand (participates in β ladder)trans-84.1132.4171.4-52.20000110.7N288 V290N288-T305 HydrophobicContact CB-CG2 4.01Å; V290-T305 HydrophobicContact CG2-CG2 4.29Å
306F98.7Very high97.9Very high1 Ų159 Ų590%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-114.5101.3171.5-66.6-92.7000108.7W266 F269 Y270 L274 W277 V289 A291 F293 K304 T308 M311 Y314W266-F306 HydrophobicContact CZ3-CZ 4.08Å; F269-F306 AromaticContact CE1-CE1 3.92Å; F269-F306 HydrophobicContact CE1-CE1 3.92Å; F269-F306 AromaticContact CE1-CZ 3.76Å; F269-F306 HydrophobicContact CE1-CZ 3.76Å; F269-F306 HydrophobicContact CZ-CE1 4.36Å; F269-F306 HydrophobicContact CZ-CE2 4.26Å; F269-F306 AromaticContact CZ-CZ 3.89Å; F269-F306 HydrophobicContact CZ-CZ 3.89Å; Y270-F306 HydrophobicContact CE1-CE1 4.26Å; L274-F306 HydrophobicContact CD1-CD1 3.76Å; L274-F306 HydrophobicContact CD1-CE1 4.13Å; L274-F306 HydrophobicContact CD1-CG 4.16Å; W277-F306 HydrophobicContact CZ3-CD2 4.07Å; W277-F306 HydrophobicContact CZ3-CE2 4.12Å; V289-F306 PolarHBondContact N-O 3.45Å; V289-F306 PolarHBondContact O-N 3.27Å; A291-F306 HydrophobicContact CB-CD2 4.08Å; A291-F306 HydrophobicContact CB-CE2 3.79Å; F293-F306 AromaticContact CZ-CE2 3.92Å; F293-F306 HydrophobicContact CZ-CE2 3.92Å; F293-F306 HydrophobicContact CZ-CZ 4.02Å; K304-F306 HydrophobicContact CB-CE2 3.99Å; K304-F306 HydrophobicContact CD-CE1 4.1Å; K304-F306 HydrophobicContact CD-CE2 3.8Å; K304-F306 HydrophobicContact CD-CZ 3.48Å; K304-F306 VanDerWaalsContact CD-CZ 3.48Å; K304-F306 HydrophobicContact CG-CD2 4.33Å; K304-F306 HydrophobicContact CG-CE2 3.82Å; K304-F306 HydrophobicContact CG-CZ 4.01Å; K304-F306 WeakPolarHBondContact O-CD2 3.27Å; F306-T308 PolarHBondContact O-N 3.34Å; F306-M311 HydrophobicContact CB-CE 3.67Å; F306-M311 HydrophobicContact CB-CG 4.46Å; F306-Y314 HydrophobicContact CD1-CE2 4.19Å; F306-Y314 HydrophobicContact CE1-CE2 4.44Å
307P98.7Very high98Very high43 Ų4361.3 Ų61.328%0.27931%0.305SS..EExtended strand (participates in β ladder)trans-61.4125.1171.9-23.835000109.9P287 M309 K310 M311P287-P307 CarbonylContact O-C 3.57Å; P287-P307 WeakPolarHBondContact O-CA 3.14Å; P307-M309 PolarHBondContact O-N 2.95Å; P307-K310 HydrophobicContact CB-CB 4.26Å; P307-K310 HydrophobicContact CB-CD 4.26Å; P307-K310 HydrophobicContact CB-CG 4.19Å; P307-K310 HydrophobicContact CG-CD 4.26Å; P307-K310 WeakPolarHBondContact O-CA 3.3Å; P307-K310 PolarHBondContact O-N 3.48Å; P307-M311 PolarHBondContact O-N 3.48Å
308T98.7Very high97.9Very high3 Ų358.5 Ų58.52%0.01829%0.289CS..G310 helixtrans-52.9-43.5-174.2-57.20000111.5F282 V286 P287 F306 K310 M311F282-T308 HydrophobicContact CB-CG2 3.95Å; V286-T308 WeakPolarHBondContact O-CB 3.46Å; V286-T308 PolarHBondContact O-OG1 2.89Å; P287-T308 PolarHBondContact O-N 3.27Å; P287-T308 PolarHBondContact O-OG1 3.22Å; F306-T308 PolarHBondContact O-N 3.34Å; T308-K310 PolarHBondContact O-N 3.03Å; T308-M311 PolarHBondContact O-N 3.36Å
309M98.2Very high97.8Very high140 Ų14070.1 Ų70.169%0.6933%0.333SS*.G310 helixtrans-70-12.7179.8-61.4-54.2-64.100114.5F282 P307F282-M309 HydrophobicContact CD2-SD 4.07Å; F282-M309 HydrophobicContact CE2-CE 4.46Å; F282-M309 HydrophobicContact CE2-SD 4.05Å; P307-M309 PolarHBondContact O-N 2.95Å
310K98.5Very high97.6Very high133 Ų13372.4 Ų72.458%0.57835%0.348SS*.G310 helixtrans-104.1-3.3177.7-63.5-173.5179.7179.60113.1P307 T308 F312 E313P307-K310 HydrophobicContact CB-CB 4.26Å; P307-K310 HydrophobicContact CB-CD 4.26Å; P307-K310 HydrophobicContact CB-CG 4.19Å; P307-K310 HydrophobicContact CG-CD 4.26Å; P307-K310 WeakPolarHBondContact O-CA 3.3Å; P307-K310 PolarHBondContact O-N 3.48Å; T308-K310 PolarHBondContact O-N 3.03Å; K310-F312 VanDerWaalsContact C-N 3.33Å; K310-F312 PolarHBondContact O-N 3.18Å; K310-E313 WeakPolarHBondContact O-CB 3.34Å; K310-E313 PolarHBondContact O-N 2.84Å
311M98.8Very high97.6Very high0 Ų073.1 Ų73.10%036%0.356CS..G310 helixtrans-63.5-37.6-176.3-71.6-175.3176.300112.9L274 W277 W278 V289 F306 P307 T308 E313 Y314 W322L274-M311 HydrophobicContact CD1-CE 4.33Å; L274-M311 HydrophobicContact CD1-CG 4.13Å; L274-M311 HydrophobicContact CD1-SD 4.14Å; L274-M311 HydrophobicContact CD2-CB 3.77Å; L274-M311 HydrophobicContact CD2-CG 4.09Å; L274-M311 VanDerWaalsContact CD2-O 3.32Å; L274-M311 WeakPolarHBondContact CD2-O 3.48Å; L274-M311 HydrophobicContact CG-CB 3.97Å; L274-M311 HydrophobicContact CG-CG 3.98Å; L274-M311 HydrophobicContact CG-SD 4.09Å; W277-M311 HydrophobicContact CB-CE 4.15Å; W277-M311 HydrophobicContact CB-SD 4.33Å; W278-M311 WeakPolarHBondContact CA-SD 3.24Å; W278-M311 HydrophobicContact CB-CB 4.19Å; W278-M311 HydrophobicContact CB-SD 3.6Å; W278-M311 PolarHBondContact N-SD 2.96Å; V289-M311 HydrophobicContact CB-CE 3.66Å; V289-M311 HydrophobicContact CG2-CE 3.33Å; F306-M311 HydrophobicContact CB-CE 3.67Å; F306-M311 HydrophobicContact CB-CG 4.46Å; P307-M311 PolarHBondContact O-N 3.48Å; T308-M311 PolarHBondContact O-N 3.36Å; M311-E313 PolarHBondContact O-N 2.9Å; M311-Y314 WeakPolarHBondContact O-CD2 3.31Å; M311-Y314 PolarHBondContact O-N 2.93Å; M311-W322 HydrophobicContact CB-CH2 4.31Å
312F98.5Very high97.8Very high34 Ų3470.9 Ų70.915%0.14934%0.34CS..G310 helixtrans-65.8-25.4179.1176.4-126.7000113.1K310 Y314 V315 R316 W322 P324K310-F312 VanDerWaalsContact C-N 3.33Å; K310-F312 PolarHBondContact O-N 3.18Å; F312-Y314 PolarHBondContact O-N 2.82Å; F312-Y314 VanDerWaalsContact O-N 3.11Å; F312-V315 HydrophobicContact CD2-CG2 3.76Å; F312-V315 HydrophobicContact CE2-CG2 4.17Å; F312-V315 CarbonylContact O-C 3.6Å; F312-V315 PolarHBondContact O-N 3.48Å; F312-R316 HydrophobicContact CE1-CB 4.19Å; F312-R316 HydrophobicContact CE1-CG 4.03Å; F312-R316 HydrophobicContact CE2-CB 4.47Å; F312-R316 HydrophobicContact CZ-CB 4.14Å; F312-R316 HydrophobicContact CZ-CG 4.15Å; F312-R316 PolarHBondContact O-N 3.03Å; F312-W322 HydrophobicContact CB-CH2 4.32Å; F312-W322 WeakPolarHBondContact CD2-O 3.35Å; F312-W322 WeakPolarHBondContact CE2-O 3.4Å; F312-P324 HydrophobicContact CB-CG 3.76Å; F312-P324 HydrophobicContact CD1-CG 4.05Å; F312-P324 HydrophobicContact CD2-CG 3.86Å; F312-P324 HydrophobicContact CG-CG 3.61Å
313E98.3Very high97.8Very high100 Ų10071 Ų7147%0.46734%0.337SS..G310 helixtrans-58.9-29.4-179.7-58.7-52.8143.700112.9K310 M311 V315 R316K310-E313 WeakPolarHBondContact O-CB 3.34Å; K310-E313 PolarHBondContact O-N 2.84Å; M311-E313 PolarHBondContact O-N 2.9Å; E313-V315 PolarHBondContact O-N 2.77Å; E313-R316 IonicContact OE1-CZ 3.12Å; E313-R316 IonicContact OE1-NE 2.67Å; E313-R316 IonicContact OE1-NH2 3.54Å; E313-R316 PolarHBondContact OE1-NH2 3.09Å; E313-R316 IonicContact OE2-CZ 2.7Å; E313-R316 IonicContact OE2-NE 3.3Å; E313-R316 PolarHBondContact OE2-NE 3.07Å; E313-R316 IonicContact OE2-NH2 3.49Å; E313-R316 PolarHBondContact OE2-NH2 3.18Å
314Y98.1Very high97.9Very high90 Ų9069 Ų6935%0.35333%0.327SS..G310 helixtrans-69.7-17.5178.9-66.4-78.5000113.8Y270 L274 F306 M311 F312Y270-Y314 HydrophobicContact CD1-CD1 4.1Å; Y270-Y314 HydrophobicContact CD1-CD2 4.45Å; Y270-Y314 AromaticContact CD1-CG 3.89Å; Y270-Y314 HydrophobicContact CD1-CG 3.89Å; Y270-Y314 HydrophobicContact CD2-CD1 4.14Å; Y270-Y314 HydrophobicContact CD2-CG 4.33Å; Y270-Y314 AromaticContact CE1-CD1 3.63Å; Y270-Y314 HydrophobicContact CE1-CD1 3.63Å; Y270-Y314 HydrophobicContact CE1-CD2 4.39Å; Y270-Y314 AromaticContact CE1-CE1 3.97Å; Y270-Y314 HydrophobicContact CE1-CE1 3.97Å; Y270-Y314 AromaticContact CE1-CG 3.85Å; Y270-Y314 HydrophobicContact CE1-CG 3.85Å; Y270-Y314 AromaticContact CE2-CD1 3.67Å; Y270-Y314 HydrophobicContact CE2-CD1 3.67Å; Y270-Y314 HydrophobicContact CE2-CE1 4.39Å; Y270-Y314 HydrophobicContact CE2-CG 4.29Å; Y270-Y314 HydrophobicContact CG-CD1 4.35Å; Y270-Y314 HydrophobicContact CG-CG 4.16Å; Y270-Y314 AromaticContact CZ-CD1 3.39Å; Y270-Y314 AromaticContact CZ-CE1 3.73Å; L274-Y314 HydrophobicContact CD2-CD2 3.74Å; L274-Y314 HydrophobicContact CD2-CE2 4.48Å; L274-Y314 HydrophobicContact CD2-CG 4.33Å; F306-Y314 HydrophobicContact CD1-CE2 4.19Å; F306-Y314 HydrophobicContact CE1-CE2 4.44Å; M311-Y314 WeakPolarHBondContact O-CD2 3.31Å; M311-Y314 PolarHBondContact O-N 2.93Å; F312-Y314 PolarHBondContact O-N 2.82Å; F312-Y314 VanDerWaalsContact O-N 3.11Å
315V98.3Very high97.9Very high3 Ų366.2 Ų66.22%0.01832%0.317CS..THydrogen-bonded Turntrans-128.21.5-178.2-60.40000113.7R271 F312 E313 N317 D318 W322R271-V315 HydrophobicContact CG-CG1 4.45Å; F312-V315 HydrophobicContact CD2-CG2 3.76Å; F312-V315 HydrophobicContact CE2-CG2 4.17Å; F312-V315 CarbonylContact O-C 3.6Å; F312-V315 PolarHBondContact O-N 3.48Å; E313-V315 PolarHBondContact O-N 2.77Å; V315-N317 PolarHBondContact O-N 2.91Å; V315-N317 VanDerWaalsContact O-N 3.11Å; V315-D318 HydrophobicContact CB-CB 4.25Å; V315-D318 WeakPolarHBondContact O-CB 3.47Å; V315-D318 PolarHBondContact O-N 3.38Å; V315-W322 HydrophobicContact CG2-CD2 4.12Å; V315-W322 HydrophobicContact CG2-CG 4.24Å; V315-W322 HydrophobicContact CG2-CZ2 4.27Å; V315-W322 WeakPolarHBondContact CG2-O 3.4Å
316R97.6Very high97.9Very high125 Ų12563.2 Ų63.247%0.47230%0.298SS..THydrogen-bonded Turntrans-51.1-39.8-175.7179.7-175.2-72.3-871.1113.6F312 E313F312-R316 HydrophobicContact CE1-CB 4.19Å; F312-R316 HydrophobicContact CE1-CG 4.03Å; F312-R316 HydrophobicContact CE2-CB 4.47Å; F312-R316 HydrophobicContact CZ-CB 4.14Å; F312-R316 HydrophobicContact CZ-CG 4.15Å; F312-R316 PolarHBondContact O-N 3.03Å; E313-R316 IonicContact OE1-CZ 3.12Å; E313-R316 IonicContact OE1-NE 2.67Å; E313-R316 IonicContact OE1-NH2 3.54Å; E313-R316 PolarHBondContact OE1-NH2 3.09Å; E313-R316 IonicContact OE2-CZ 2.7Å; E313-R316 IonicContact OE2-NE 3.3Å; E313-R316 PolarHBondContact OE2-NE 3.07Å; E313-R316 IonicContact OE2-NH2 3.49Å; E313-R316 PolarHBondContact OE2-NH2 3.18Å
317N96.5Very high97.9Very high156 Ų15663.1 Ų63.183%0.83430%0.298SS*.THydrogen-bonded Turntrans-10712.8-179.1-60.8-36.7000112.7V315V315-N317 PolarHBondContact O-N 2.91Å; V315-N317 VanDerWaalsContact O-N 3.11Å
318D96.8Very high97.9Very high41 Ų4161.1 Ų61.122%0.21929%0.285CS..  trans-89.5124.9179.6-167.7-23.4000110.2R271 V315 D320 G321R271-D318 IonicContact CZ-OD1 3.57Å; R271-D318 IonicContact CZ-OD2 3.45Å; R271-D318 VanDerWaalsContact CZ-OD2 3.31Å; R271-D318 IonicContact NE-OD1 2.66Å; R271-D318 PolarHBondContact NE-OD1 3.1Å; R271-D318 IonicContact NE-OD2 3.65Å; R271-D318 PolarHBondContact NE-OD2 2.8Å; R271-D318 VanDerWaalsContact NH2-CG 3.29Å; R271-D318 IonicContact NH2-OD1 3.24Å; R271-D318 PolarHBondContact NH2-OD1 3.3Å; R271-D318 IonicContact NH2-OD2 2.68Å; R271-D318 PolarHBondContact NH2-OD2 2.89Å; R271-D318 VanDerWaalsContact NH2-OD2 3.11Å; V315-D318 HydrophobicContact CB-CB 4.25Å; V315-D318 WeakPolarHBondContact O-CB 3.47Å; V315-D318 PolarHBondContact O-N 3.38Å; D318-D320 PolarHBondContact O-N 3.12Å; D318-D320 PolarHBondContact OD1-N 3.33Å; D318-G321 PolarHBondContact O-N 2.78Å
319R94.4Very high97.9Very high244 Ų24462.5 Ų62.592%0.92129%0.292SS*.THydrogen-bonded Turntrans-62.1-29.2179-67.2-174.7179.9-162.4-0.3113.3
320D95Very high98Very high108 Ų10855.8 Ų55.858%0.57826%0.259SS*.THydrogen-bonded Turntrans-103.616.4175.5-42.1-57.3000111.5R271 D318R271-D320 VanDerWaalsContact CZ-CB 3.5Å; R271-D320 IonicContact CZ-OD2 3.06Å; R271-D320 IonicContact NH1-OD2 3.36Å; R271-D320 PolarHBondContact NH1-OD2 3.35Å; R271-D320 IonicContact NH2-OD2 3.97Å; R271-D320 PolarHBondContact NH2-OD2 3.47Å; D318-D320 PolarHBondContact O-N 3.12Å; D318-D320 PolarHBondContact OD1-N 3.33Å
321G97.5Very high98Very high16 Ų1649.5 Ų49.517%0.16523%0.232CC..  trans-73157.9176.700000112.7D318D318-G321 PolarHBondContact O-N 2.78Å
322W98.7Very high98Very high4 Ų450.3 Ų50.32%0.01524%0.238CC..  trans-91.1154.8169.954.5-86000110.4Y143 Y270 L275 W278 M311 F312 V315 P324Y143-W322 HydrophobicContact CD1-CB 4.2Å; Y143-W322 HydrophobicContact CD2-CB 3.83Å; Y143-W322 HydrophobicContact CE1-CB 4.12Å; Y143-W322 HydrophobicContact CE2-CB 3.73Å; Y143-W322 HydrophobicContact CG-CB 4.06Å; Y270-W322 PolarHBondContact O-NE1 3.29Å; L275-W322 HydrophobicContact CB-CD2 3.84Å; L275-W322 HydrophobicContact CB-CG 3.79Å; L275-W322 HydrophobicContact CB-CZ2 4.48Å; L275-W322 HydrophobicContact CD1-CB 4.07Å; L275-W322 HydrophobicContact CD1-CD2 3.64Å; L275-W322 HydrophobicContact CD1-CE3 3.58Å; L275-W322 HydrophobicContact CD1-CG 3.85Å; L275-W322 HydrophobicContact CD1-CZ3 4.24Å; L275-W322 HydrophobicContact CD2-CB 4.12Å; L275-W322 HydrophobicContact CD2-CG 4.26Å; L275-W322 HydrophobicContact CG-CB 4.46Å; L275-W322 HydrophobicContact CG-CD2 4.26Å; L275-W322 HydrophobicContact CG-CG 4.15Å; W278-W322 HydrophobicContact CB-CH2 3.49Å; W278-W322 VanDerWaalsContact CB-CH2 3.49Å; W278-W322 HydrophobicContact CB-CZ2 4.21Å; W278-W322 HydrophobicContact CB-CZ3 4.08Å; W278-W322 AromaticContact CD2-CH2 3.81Å; W278-W322 HydrophobicContact CD2-CH2 3.81Å; W278-W322 AromaticContact CD2-CZ3 3.49Å; W278-W322 HydrophobicContact CD2-CZ3 3.49Å; W278-W322 VanDerWaalsContact CD2-CZ3 3.49Å; W278-W322 HydrophobicContact CE3-CE3 4.21Å; W278-W322 HydrophobicContact CE3-CH2 4.17Å; W278-W322 AromaticContact CE3-CZ3 3.52Å; W278-W322 HydrophobicContact CE3-CZ3 3.52Å; W278-W322 AromaticContact CG-CH2 3.47Å; W278-W322 HydrophobicContact CG-CH2 3.47Å; W278-W322 VanDerWaalsContact CG-CH2 3.47Å; W278-W322 AromaticContact CG-CZ3 3.71Å; W278-W322 HydrophobicContact CG-CZ3 3.71Å; W278-W322 HydrophobicContact CZ3-CZ3 4.25Å; M311-W322 HydrophobicContact CB-CH2 4.31Å; F312-W322 HydrophobicContact CB-CH2 4.32Å; F312-W322 WeakPolarHBondContact CD2-O 3.35Å; F312-W322 WeakPolarHBondContact CE2-O 3.4Å; V315-W322 HydrophobicContact CG2-CD2 4.12Å; V315-W322 HydrophobicContact CG2-CG 4.24Å; V315-W322 HydrophobicContact CG2-CZ2 4.27Å; V315-W322 WeakPolarHBondContact CG2-O 3.4Å; W322-P324 HydrophobicContact CE3-CG 4.36Å; W322-P324 HydrophobicContact CZ3-CG 3.82Å
323N98.6Very high98Very high51 Ų5150 Ų5027%0.27324%0.242SC..  trans-124121.4-178.4-174-28000110.5Y143 S325 V326 C327Y143-N323 PolarHBondContact OH-N 2.69Å; N323-S325 PolarHBondContact O-N 3.43Å; N323-S325 VanDerWaalsContact O-N 3.15Å; N323-S325 WeakPolarHBondContact OD1-CB 3.37Å; N323-S325 PolarHBondContact OD1-N 3.15Å; N323-V326 HydrophobicContact CB-CB 4.31Å; N323-V326 HydrophobicContact CB-CG2 4Å; N323-V326 WeakPolarHBondContact O-CB 3.33Å; N323-V326 PolarHBondContact O-N 3.42Å; N323-C327 PolarHBondContact O-N 3.43Å
324P98.7Very high98Very high13 Ų1345.2 Ų45.28%0.08422%0.22CC..Hα-helixtrans-48-39.2174.6-30.934.3000114.6F40 W278 F312 W322 V326 C327 M328F40-P324 HydrophobicContact CD2-CB 4.09Å; F40-P324 HydrophobicContact CE2-CB 3.81Å; W278-P324 HydrophobicContact CH2-CB 3.79Å; W278-P324 HydrophobicContact CZ2-CB 3.53Å; W278-P324 HydrophobicContact CZ2-CG 4.1Å; F312-P324 HydrophobicContact CB-CG 3.76Å; F312-P324 HydrophobicContact CD1-CG 4.05Å; F312-P324 HydrophobicContact CD2-CG 3.86Å; F312-P324 HydrophobicContact CG-CG 3.61Å; W322-P324 HydrophobicContact CE3-CG 4.36Å; W322-P324 HydrophobicContact CZ3-CG 3.82Å; P324-V326 PolarHBondContact O-N 3.1Å; P324-C327 WeakPolarHBondContact O-CB 3.2Å; P324-C327 PolarHBondContact O-N 3.18Å; P324-M328 WeakPolarHBondContact O-CG 3.28Å; P324-M328 PolarHBondContact O-N 3.19Å
325S98.7Very high98.1Very high18 Ų1840.9 Ų40.913%0.12620%0.203CC..Hα-helixtrans-64.1-41.7179.7-59.10000111.6G38 F40 N323 M328 N329G38-S325 WeakPolarHBondContact O-CB 3.31Å; F40-S325 WeakPolarHBondContact CA-OG 3.36Å; F40-S325 WeakPolarHBondContact CB-OG 3.28Å; F40-S325 PolarHBondContact N-OG 2.7Å; N323-S325 PolarHBondContact O-N 3.43Å; N323-S325 VanDerWaalsContact O-N 3.15Å; N323-S325 WeakPolarHBondContact OD1-CB 3.37Å; N323-S325 PolarHBondContact OD1-N 3.15Å; S325-M328 PolarHBondContact O-N 3.38Å; S325-N329 WeakPolarHBondContact O-CB 3.4Å; S325-N329 PolarHBondContact O-N 2.68Å; S325-N329 PolarHBondContact O-ND2 3.22Å; S325-N329 VanDerWaalsContact O-ND2 3.09Å
326V98.8Very high98.1Very high4 Ų443.4 Ų43.42%0.02422%0.221CC..Hα-helixtrans-60.2-48.3176.2168.40000110.3P33 Y36 P142 Y143 N323 P324 M328 N329 F330P33-V326 HydrophobicContact CB-CG1 3.91Å; Y36-V326 WeakPolarHBondContact O-CA 3.42Å; P142-V326 HydrophobicContact CB-CG1 3.75Å; P142-V326 HydrophobicContact CG-CG1 4.04Å; Y143-V326 HydrophobicContact CE2-CB 4.08Å; Y143-V326 HydrophobicContact CE2-CG1 3.74Å; Y143-V326 WeakPolarHBondContact OH-CB 3.45Å; N323-V326 HydrophobicContact CB-CB 4.31Å; N323-V326 HydrophobicContact CB-CG2 4Å; N323-V326 WeakPolarHBondContact O-CB 3.33Å; N323-V326 PolarHBondContact O-N 3.42Å; P324-V326 PolarHBondContact O-N 3.1Å; V326-M328 PolarHBondContact O-N 3.19Å; V326-N329 PolarHBondContact O-N 2.66Å; V326-F330 WeakPolarHBondContact O-CB 3.39Å; V326-F330 PolarHBondContact O-N 3.11Å
327C98.9Very high98.1Very high0 Ų038.6 Ų38.60%020%0.203CC..Hα-helixtrans-56.8-49.9178.9-63.40000112.1L139 W278 N323 P324 C331L139-C327 HydrophobicContact CB-CB 4.16Å; L139-C327 HydrophobicContact CG-CB 4.2Å; L139-C327 VanDerWaalsContact O-CA 3.31Å; L139-C327 WeakPolarHBondContact O-CA 3.31Å; L139-C327 WeakPolarHBondContact O-CB 3.43Å; L139-C327 PolarHBondContact O-SG 3.08Å; W278-C327 HydrophobicContact CH2-CB 3.94Å; W278-C327 HydrophobicContact CZ3-CB 3.64Å; N323-C327 PolarHBondContact O-N 3.43Å; P324-C327 WeakPolarHBondContact O-CB 3.2Å; P324-C327 PolarHBondContact O-N 3.18Å; C327-C331 WeakPolarHBondContact O-CB 3.48Å; C327-C331 PolarHBondContact O-N 2.81Å; C327-C331 VanDerWaalsContact O-N 3.1Å
328M98.9Very high98.2Very high0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-74.1-36.7-176.8-62.3-57.5-64.800112.6F40 P41 Y43 L139 L224 W278 F282 P324 S325 V326 C331 A332F40-M328 HydrophobicContact CD2-CG 4.45Å; F40-M328 HydrophobicContact CE2-CB 4.21Å; F40-M328 HydrophobicContact CE2-CG 3.52Å; F40-M328 HydrophobicContact CZ-CB 4.38Å; F40-M328 HydrophobicContact CZ-CG 3.6Å; P41-M328 HydrophobicContact CG-CB 3.48Å; P41-M328 VanDerWaalsContact CG-CB 3.48Å; Y43-M328 HydrophobicContact CD1-CE 4.37Å; Y43-M328 HydrophobicContact CD2-CE 3.55Å; Y43-M328 HydrophobicContact CE2-CE 3.97Å; Y43-M328 HydrophobicContact CG-CE 3.78Å; L139-M328 HydrophobicContact CD1-SD 4.06Å; L139-M328 HydrophobicContact CD2-SD 3.6Å; L139-M328 HydrophobicContact CG-SD 3.82Å; L224-M328 HydrophobicContact CD1-CB 4.44Å; L224-M328 HydrophobicContact CD1-CE 3.64Å; L224-M328 HydrophobicContact CD2-CE 4.01Å; L224-M328 HydrophobicContact CG-CE 4.37Å; W278-M328 HydrophobicContact CH2-CG 4.15Å; W278-M328 HydrophobicContact CH2-SD 4.19Å; F282-M328 HydrophobicContact CD1-SD 4.1Å; F282-M328 HydrophobicContact CE1-CE 3.91Å; F282-M328 HydrophobicContact CE1-CG 4.46Å; F282-M328 HydrophobicContact CE1-SD 3.84Å; P324-M328 WeakPolarHBondContact O-CG 3.28Å; P324-M328 PolarHBondContact O-N 3.19Å; S325-M328 PolarHBondContact O-N 3.38Å; V326-M328 PolarHBondContact O-N 3.19Å; M328-C331 PolarHBondContact O-N 3.46Å; M328-A332 WeakPolarHBondContact O-CB 3.24Å; M328-A332 PolarHBondContact O-N 3.39Å
329N98.9Very high98.3Very high32 Ų3231.3 Ų31.317%0.17116%0.163CC..Hα-helixtrans-67.2-42.7177.1-77.7-32.6000111.5Y36 G38 P39 P41 S325 V326 A332 A333Y36-N329 HydrophobicContact CD1-CB 4.24Å; Y36-N329 PolarHBondContact O-ND2 2.71Å; G38-N329 PolarHBondContact O-ND2 2.85Å; P39-N329 PolarHBondContact O-ND2 2.83Å; P39-N329 PolarHBondContact O-OD1 3.07Å; P41-N329 WeakPolarHBondContact CB-OD1 3.28Å; P41-N329 VanDerWaalsContact CD-OD1 3.3Å; P41-N329 WeakPolarHBondContact CD-OD1 3.36Å; P41-N329 WeakPolarHBondContact CG-OD1 3.44Å; S325-N329 WeakPolarHBondContact O-CB 3.4Å; S325-N329 PolarHBondContact O-N 2.68Å; S325-N329 PolarHBondContact O-ND2 3.22Å; S325-N329 VanDerWaalsContact O-ND2 3.09Å; V326-N329 PolarHBondContact O-N 2.66Å; N329-A332 PolarHBondContact O-N 2.91Å; N329-A333 WeakPolarHBondContact O-CB 3.45Å; N329-A333 PolarHBondContact O-N 2.77Å
330F98.9Very high98.4Very high0 Ų023.6 Ų23.60%015%0.146CC..Hα-helixtrans-60.7-46.3172.7169.6-97000111L29 T31 Y36 L138 T141 P142 V326 A332 A333 F334 V361L29-F330 HydrophobicContact CD2-CE2 3.9Å; L29-F330 HydrophobicContact CD2-CZ 4.42Å; L29-F330 HydrophobicContact CG-CE2 4.4Å; T31-F330 HydrophobicContact CG2-CD2 4.44Å; T31-F330 HydrophobicContact CG2-CE2 3.52Å; T31-F330 HydrophobicContact CG2-CZ 3.92Å; Y36-F330 HydrophobicContact CD1-CB 4.19Å; Y36-F330 HydrophobicContact CD2-CB 3.91Å; Y36-F330 HydrophobicContact CD2-CD2 4.2Å; Y36-F330 HydrophobicContact CE1-CB 4.42Å; Y36-F330 HydrophobicContact CE1-CD2 4.4Å; Y36-F330 HydrophobicContact CE2-CB 4.17Å; Y36-F330 AromaticContact CE2-CD2 3.61Å; Y36-F330 HydrophobicContact CE2-CD2 3.61Å; Y36-F330 HydrophobicContact CE2-CG 4.35Å; Y36-F330 HydrophobicContact CG-CB 3.92Å; Y36-F330 AromaticContact CZ-CD2 3.72Å; L138-F330 HydrophobicContact CB-CE1 4.41Å; L138-F330 HydrophobicContact CD2-CE1 4.29Å; L138-F330 WeakPolarHBondContact O-CD1 3.44Å; L138-F330 WeakPolarHBondContact O-CE1 3.44Å; T141-F330 VanDerWaalsContact CB-CE1 3.44Å; T141-F330 HydrophobicContact CG2-CE1 3.72Å; T141-F330 HydrophobicContact CG2-CE2 4.3Å; T141-F330 HydrophobicContact CG2-CZ 3.57Å; P142-F330 HydrophobicContact CG-CB 3.56Å; P142-F330 HydrophobicContact CG-CD1 3.94Å; P142-F330 HydrophobicContact CG-CD2 4.28Å; P142-F330 HydrophobicContact CG-CG 3.63Å; V326-F330 WeakPolarHBondContact O-CB 3.39Å; V326-F330 PolarHBondContact O-N 3.11Å; F330-A332 VanDerWaalsContact C-N 3.34Å; F330-A332 PolarHBondContact O-N 2.88Å; F330-A333 PolarHBondContact O-N 2.78Å; F330-F334 HydrophobicContact CZ-CB 4.45Å; F330-F334 PolarHBondContact O-N 3.15Å; F330-V361 HydrophobicContact CE2-CG2 4.49Å; F330-V361 HydrophobicContact CZ-CG2 4.18Å
331C98.9Very high98.6Very high1 Ų119.6 Ų19.61%0.00713%0.126CC..Hα-helixtrans-58.8-46.2177.2-173.60000111.3L138 L139 L224 C327 M328 A333 F334 L335L138-C331 HydrophobicContact CB-CB 4.44Å; L139-C331 HydrophobicContact CD1-CB 3.63Å; L224-C331 HydrophobicContact CD2-CB 3.81Å; C327-C331 WeakPolarHBondContact O-CB 3.48Å; C327-C331 PolarHBondContact O-N 2.81Å; C327-C331 VanDerWaalsContact O-N 3.1Å; M328-C331 PolarHBondContact O-N 3.46Å; C331-A333 VanDerWaalsContact C-N 3.32Å; C331-A333 PolarHBondContact O-N 3.02Å; C331-F334 PolarHBondContact O-N 2.89Å; C331-L335 VanDerWaalsContact O-CG 3.3Å; C331-L335 WeakPolarHBondContact O-CG 3.4Å; C331-L335 PolarHBondContact O-N 2.6Å
332A98.8Very high98.6Very high16 Ų1618.9 Ų18.913%0.13212%0.118CC..Hα-helixtrans-59.8-41.1176.200000112.6L224 H227 M328 N329 F330 L335 S336L224-A332 HydrophobicContact CD1-CB 4.29Å; L224-A332 HydrophobicContact CD2-CB 4.09Å; L224-A332 HydrophobicContact CG-CB 3.92Å; H227-A332 PolarHBondContact NE2-O 3.09Å; M328-A332 WeakPolarHBondContact O-CB 3.24Å; M328-A332 PolarHBondContact O-N 3.39Å; N329-A332 PolarHBondContact O-N 2.91Å; F330-A332 VanDerWaalsContact C-N 3.34Å; F330-A332 PolarHBondContact O-N 2.88Å; A332-L335 PolarHBondContact O-N 2.9Å; A332-S336 PolarHBondContact O-N 3.44Å; A332-S336 PolarHBondContact O-OG 2.71Å
333A98.8Very high98.5Very high27 Ų2723.8 Ų23.822%0.22315%0.149CC..Hα-helixtrans-65.8-40.2175.900000112.1L29 Y36 N329 F330 C331 S336 F337L29-A333 HydrophobicContact CD1-CB 4.3Å; Y36-A333 HydrophobicContact CD1-CB 4.38Å; Y36-A333 HydrophobicContact CE1-CB 3.57Å; N329-A333 WeakPolarHBondContact O-CB 3.45Å; N329-A333 PolarHBondContact O-N 2.77Å; F330-A333 PolarHBondContact O-N 2.78Å; C331-A333 VanDerWaalsContact C-N 3.32Å; C331-A333 PolarHBondContact O-N 3.02Å; A333-S336 PolarHBondContact O-N 3.36Å; A333-F337 VanDerWaalsContact O-CB 3.32Å; A333-F337 WeakPolarHBondContact O-CB 3.44Å; A333-F337 PolarHBondContact O-N 2.82Å
334F98.9Very high98.5Very high0 Ų026.3 Ų26.30%016%0.158CC..Hα-helixtrans-61.8-46173.1176-87.4000111.8L29 L138 W149 L151 L162 F330 C331 S336 F337 A338 F353 V361L29-F334 HydrophobicContact CD2-CB 3.83Å; L29-F334 HydrophobicContact CD2-CD2 4.15Å; L29-F334 HydrophobicContact CD2-CG 4.48Å; L138-F334 HydrophobicContact CD1-CD1 3.37Å; L138-F334 HydrophobicContact CD1-CE1 3.65Å; L138-F334 HydrophobicContact CD1-CG 4.12Å; L138-F334 HydrophobicContact CD2-CB 4.36Å; L138-F334 HydrophobicContact CD2-CD1 3.66Å; L138-F334 HydrophobicContact CD2-CD2 3.83Å; L138-F334 HydrophobicContact CD2-CE1 3.85Å; L138-F334 HydrophobicContact CD2-CE2 4Å; L138-F334 HydrophobicContact CD2-CG 3.65Å; L138-F334 HydrophobicContact CD2-CZ 4.02Å; L138-F334 HydrophobicContact CG-CD1 4.16Å; L138-F334 HydrophobicContact CG-CE1 4.39Å; W149-F334 HydrophobicContact CH2-CD2 4.12Å; W149-F334 AromaticContact CH2-CE2 3.67Å; W149-F334 HydrophobicContact CH2-CE2 3.67Å; W149-F334 HydrophobicContact CH2-CZ 4.37Å; W149-F334 HydrophobicContact CZ3-CE2 4.11Å; W149-F334 HydrophobicContact CZ3-CZ 4.49Å; L151-F334 HydrophobicContact CD1-CE1 4.1Å; L151-F334 HydrophobicContact CD1-CZ 3.83Å; L162-F334 HydrophobicContact CD1-CE1 4.11Å; F330-F334 HydrophobicContact CZ-CB 4.45Å; F330-F334 PolarHBondContact O-N 3.15Å; C331-F334 PolarHBondContact O-N 2.89Å; F334-S336 VanDerWaalsContact C-N 3.32Å; F334-S336 PolarHBondContact O-N 2.89Å; F334-F337 WeakPolarHBondContact O-CB 3.26Å; F334-F337 PolarHBondContact O-N 3.19Å; F334-F337 VanDerWaalsContact O-N 3.16Å; F334-A338 HydrophobicContact CE1-CB 4.26Å; F334-A338 WeakPolarHBondContact O-CB 3.37Å; F334-A338 PolarHBondContact O-N 3.35Å; F334-F353 HydrophobicContact CE2-CB 3.95Å; F334-F353 AromaticContact CE2-CD1 3.9Å; F334-F353 HydrophobicContact CE2-CD1 3.9Å; F334-F353 AromaticContact CE2-CG 3.94Å; F334-F353 HydrophobicContact CE2-CG 3.94Å; F334-F353 HydrophobicContact CZ-CB 4.1Å; F334-F353 HydrophobicContact CZ-CD1 4.25Å; F334-F353 HydrophobicContact CZ-CD2 4.36Å; F334-F353 AromaticContact CZ-CG 3.96Å; F334-F353 HydrophobicContact CZ-CG 3.96Å; F334-V361 HydrophobicContact CD2-CG1 4.48Å; F334-V361 HydrophobicContact CD2-CG2 4.49Å; F334-V361 HydrophobicContact CE2-CG1 4.13Å
335L98.8Very high98.5Very high0 Ų029.5 Ų29.50%018%0.175CC..Hα-helixtrans-62.4-40.2178.5-62.5176.4000111.3I128 L162 L224 H227 L229 C331 A332 Q339I128-L335 HydrophobicContact CD1-CB 3.84Å; I128-L335 HydrophobicContact CD1-CD1 4.2Å; I128-L335 HydrophobicContact CD1-CD2 3.67Å; I128-L335 HydrophobicContact CD1-CG 4.07Å; I128-L335 HydrophobicContact CG2-CD2 4.36Å; L162-L335 HydrophobicContact CD1-CD2 4.09Å; L224-L335 HydrophobicContact CB-CD1 4.41Å; L224-L335 HydrophobicContact CD2-CD1 4.11Å; H227-L335 HydrophobicContact CB-CB 4.36Å; H227-L335 HydrophobicContact CB-CD1 3.98Å; L229-L335 HydrophobicContact CD2-CD1 3.9Å; C331-L335 VanDerWaalsContact O-CG 3.3Å; C331-L335 WeakPolarHBondContact O-CG 3.4Å; C331-L335 PolarHBondContact O-N 2.6Å; A332-L335 PolarHBondContact O-N 2.9Å; L335-Q339 WeakPolarHBondContact O-CB 3.37Å; L335-Q339 VanDerWaalsContact O-CG 3.28Å; L335-Q339 WeakPolarHBondContact O-CG 3.43Å; L335-Q339 PolarHBondContact O-N 3.18Å
336S98.6Very high98.4Very high56 Ų5630.7 Ų30.739%0.39218%0.18SC..Hα-helixtrans-62.4-45.4171.8-64.20000112.1H227 A332 A333 F334 Q339 S340H227-S336 PolarHBondContact CE1-OG 2.87Å; H227-S336 VanDerWaalsContact CE1-OG 3.27Å; H227-S336 PolarHBondContact NE2-N 2.92Å; H227-S336 PolarHBondContact NE2-OG 3.04Å; A332-S336 PolarHBondContact O-N 3.44Å; A332-S336 PolarHBondContact O-OG 2.71Å; A333-S336 PolarHBondContact O-N 3.36Å; F334-S336 VanDerWaalsContact C-N 3.32Å; F334-S336 PolarHBondContact O-N 2.89Å; S336-Q339 PolarHBondContact O-N 3.23Å; S336-S340 WeakPolarHBondContact O-CB 3.15Å; S336-S340 PolarHBondContact O-N 2.85Å; S336-S340 PolarHBondContact O-OG 2.87Å
337F98.5Very high98.4Very high24 Ų2431.7 Ų31.711%0.10519%0.186CC..Hα-helixtrans-60.1-48.5178.4178.8-122.8000110.9P27 L29 A333 F334 S340 T341 F353 V363P27-F337 HydrophobicContact CB-CE2 3.88Å; P27-F337 HydrophobicContact CB-CZ 4.14Å; L29-F337 HydrophobicContact CB-CD1 3.79Å; L29-F337 HydrophobicContact CB-CE1 4.02Å; L29-F337 HydrophobicContact CB-CG 4.1Å; L29-F337 HydrophobicContact CD1-CB 4.45Å; L29-F337 HydrophobicContact CD2-CB 4.21Å; L29-F337 HydrophobicContact CD2-CD1 4.24Å; L29-F337 HydrophobicContact CD2-CG 4.46Å; A333-F337 VanDerWaalsContact O-CB 3.32Å; A333-F337 WeakPolarHBondContact O-CB 3.44Å; A333-F337 PolarHBondContact O-N 2.82Å; F334-F337 WeakPolarHBondContact O-CB 3.26Å; F334-F337 PolarHBondContact O-N 3.19Å; F334-F337 VanDerWaalsContact O-N 3.16Å; F337-S340 PolarHBondContact O-N 3.45Å; F337-S340 PolarHBondContact O-OG 2.95Å; F337-T341 VanDerWaalsContact O-CB 3.26Å; F337-T341 WeakPolarHBondContact O-CB 3.32Å; F337-T341 PolarHBondContact O-N 3.09Å; F337-T341 PolarHBondContact O-OG1 3.37Å; F337-F353 AromaticContact CD1-CD1 3.98Å; F337-F353 HydrophobicContact CD1-CD1 3.98Å; F337-F353 AromaticContact CD1-CE1 3.65Å; F337-F353 HydrophobicContact CD1-CE1 3.65Å; F337-F353 AromaticContact CE1-CD1 3.77Å; F337-F353 HydrophobicContact CE1-CD1 3.77Å; F337-F353 AromaticContact CE1-CE1 3.55Å; F337-F353 HydrophobicContact CE1-CE1 3.55Å; F337-F353 HydrophobicContact CZ-CE1 4.41Å; F337-V363 HydrophobicContact CE1-CG2 3.64Å; F337-V363 HydrophobicContact CZ-CG2 3.61Å
338A98.5Very high98.4Very high0 Ų038 Ų380%021%0.21CC..Hα-helixtrans-62.1-48.1177.500000112.1L160 F334 S340 T341 V342 F353L160-A338 HydrophobicContact CD2-CB 4.04Å; F334-A338 HydrophobicContact CE1-CB 4.26Å; F334-A338 WeakPolarHBondContact O-CB 3.37Å; F334-A338 PolarHBondContact O-N 3.35Å; A338-S340 VanDerWaalsContact C-N 3.32Å; A338-S340 PolarHBondContact O-N 3.06Å; A338-T341 PolarHBondContact O-N 3.37Å; A338-T341 VanDerWaalsContact O-N 3.15Å; A338-V342 WeakPolarHBondContact O-CG2 3.43Å; A338-V342 PolarHBondContact O-N 2.83Å; A338-F353 HydrophobicContact CB-CE1 4.23Å; A338-F353 HydrophobicContact CB-CE2 4.12Å; A338-F353 HydrophobicContact CB-CZ 3.79Å
339Q97.9Very high98.4Very high43 Ų4339.1 Ų39.120%0.20122%0.216CC..Hα-helixtrans-56.9-43.5175.9-78.9-76.55.700112.4I128 R155 L160 L335 S336 T341I128-Q339 HydrophobicContact CD1-CG 4.23Å; R155-Q339 VanDerWaalsContact CZ-OE1 3.27Å; R155-Q339 PolarHBondContact NH2-O 3.25Å; L160-Q339 HydrophobicContact CD2-CG 3.94Å; L335-Q339 WeakPolarHBondContact O-CB 3.37Å; L335-Q339 VanDerWaalsContact O-CG 3.28Å; L335-Q339 WeakPolarHBondContact O-CG 3.43Å; L335-Q339 PolarHBondContact O-N 3.18Å; S336-Q339 PolarHBondContact O-N 3.23Å; Q339-T341 VanDerWaalsContact C-N 3.34Å
340S97.6Very high98.4Very high82 Ų8237.6 Ų37.657%0.57321%0.208SC*.Hα-helixtrans-73.2-24.417969.30000114.2S336 F337 A338 V343S336-S340 WeakPolarHBondContact O-CB 3.15Å; S336-S340 PolarHBondContact O-N 2.85Å; S336-S340 PolarHBondContact O-OG 2.87Å; F337-S340 PolarHBondContact O-N 3.45Å; F337-S340 PolarHBondContact O-OG 2.95Å; A338-S340 VanDerWaalsContact C-N 3.32Å; A338-S340 PolarHBondContact O-N 3.06Å; S340-V343 WeakPolarHBondContact O-CG2 3.35Å
341T98Very high98.4Very high25 Ų2538.2 Ų38.215%0.15321%0.211CC..Hα-helixtrans-85.3-43.7-177.9-61.40000111.3F337 A338 Q339 V343 F353 V363F337-T341 VanDerWaalsContact O-CB 3.26Å; F337-T341 WeakPolarHBondContact O-CB 3.32Å; F337-T341 PolarHBondContact O-N 3.09Å; F337-T341 PolarHBondContact O-OG1 3.37Å; A338-T341 PolarHBondContact O-N 3.37Å; A338-T341 VanDerWaalsContact O-N 3.15Å; Q339-T341 VanDerWaalsContact C-N 3.34Å; T341-V343 PolarHBondContact O-N 3.24Å; T341-F353 HydrophobicContact CG2-CE1 4.32Å; T341-F353 HydrophobicContact CG2-CZ 3.99Å; T341-V363 HydrophobicContact CG2-CG1 3.91Å; T341-V363 HydrophobicContact CG2-CG2 4.28Å
342V98Very high98.3Very high1 Ų138.3 Ų38.31%0.00621%0.211CC..  trans-85.678.6-178.3-169.60000109.7A153 R155 L160 A338 H351 F353A153-V342 HydrophobicContact CB-CG2 3.9Å; R155-V342 HydrophobicContact CB-CG1 3.79Å; R155-V342 VanDerWaalsContact CZ-O 3.28Å; R155-V342 PolarHBondContact NE-O 3.42Å; R155-V342 PolarHBondContact NH2-O 2.91Å; L160-V342 HydrophobicContact CD1-CB 3.93Å; L160-V342 HydrophobicContact CD1-CG1 4.05Å; L160-V342 HydrophobicContact CD1-CG2 4.02Å; A338-V342 WeakPolarHBondContact O-CG2 3.43Å; A338-V342 PolarHBondContact O-N 2.83Å; V342-H351 HydrophobicContact CG2-CB 3.78Å; V342-F353 HydrophobicContact CG2-CE2 4.16Å; V342-F353 HydrophobicContact CG2-CZ 4.25Å
343V97.4Very high98.3Very high107 Ų10737.6 Ų37.665%0.64821%0.205SC*.  trans-82.5-41-176.3-179.50000111.9S340 T341S340-V343 WeakPolarHBondContact O-CG2 3.35Å; T341-V343 PolarHBondContact O-N 3.24Å
344Q97.8Very high98.3Very high103 Ų10337.3 Ų37.348%0.48120%0.202SC..SBendtrans-73.1132.5-178.2-56.791.4-10.100111.3D346 L349Q344-D346 PolarHBondContact O-N 3.45Å; Q344-L349 HydrophobicContact CB-CD2 3.73Å; Q344-L349 HydrophobicContact CG-CD2 4.04Å; Q344-L349 VanDerWaalsContact OE1-CD2 3.3Å
345D98.1Very high98.3Very high81 Ų8137.6 Ų37.643%0.43320%0.203SC..BIsolated β-bridgetrans-8693168.5-158.2-61000108.6R155 F156 Q157 G158R155-D345 HydrophobicContact CG-CB 4.47Å; F156-D345 VanDerWaalsContact CA-OD1 3.28Å; F156-D345 WeakPolarHBondContact CA-OD1 3.23Å; Q157-D345 PolarHBondContact N-OD1 3.03Å; Q157-D345 PolarHBondContact N-OD2 3.44Å; Q157-D345 VanDerWaalsContact N-OD2 3.14Å; G158-D345 PolarHBondContact N-OD2 3.45Å
346D98.2Very high98.3Very high43 Ų4342.1 Ų42.123%0.2322%0.224CC..  trans-151.6113.6-179.2-179.5-2.6000109R155 Q344 R348 L349R155-D346 CarbonylContact O-C 3.58Å; R155-D346 PolarHBondContact O-N 2.95Å; Q344-D346 PolarHBondContact O-N 3.45Å; D346-R348 PolarHBondContact O-N 3.45Å; D346-R348 VanDerWaalsContact O-N 3.16Å; D346-R348 VanDerWaalsContact OD1-CB 3.31Å; D346-R348 WeakPolarHBondContact OD1-CB 3.2Å; D346-R348 PolarHBondContact OD1-N 3.13Å; D346-L349 HydrophobicContact CB-CB 3.81Å; D346-L349 PolarHBondContact O-N 3.11Å; D346-L349 VanDerWaalsContact O-N 3.17Å
347P98.1Very high98.3Very high24 Ų2441.7 Ų41.716%0.15622%0.219CC..THydrogen-bonded Turntrans-67-13.8-18028.3-34.3000113.5F156 L374 V379F156-P347 HydrophobicContact CB-CB 4.12Å; F156-P347 HydrophobicContact CD2-CB 3.95Å; F156-P347 HydrophobicContact CD2-CG 3.84Å; F156-P347 HydrophobicContact CE2-CG 4.2Å; F156-P347 HydrophobicContact CG-CB 4.02Å; F156-P347 HydrophobicContact CG-CG 4.43Å; P347-L374 HydrophobicContact CB-CB 4.2Å; P347-L374 HydrophobicContact CB-CD1 3.75Å; P347-V379 HydrophobicContact CB-CG1 4.46Å; P347-V379 HydrophobicContact CB-CG2 3.74Å; P347-V379 HydrophobicContact CG-CG1 3.88Å; P347-V379 HydrophobicContact CG-CG2 4.07Å
348R98.4Very high98.2Very high134 Ų13444.6 Ų44.651%0.50626%0.256SS..THydrogen-bonded Turntrans-91.9-18.1177.8-59.9173.161.5-177-3.1112.8D346 Q367 D368D346-R348 PolarHBondContact O-N 3.45Å; D346-R348 VanDerWaalsContact O-N 3.16Å; D346-R348 VanDerWaalsContact OD1-CB 3.31Å; D346-R348 WeakPolarHBondContact OD1-CB 3.2Å; D346-R348 PolarHBondContact OD1-N 3.13Å; R348-Q367 HydrophobicContact CB-CG 4.49Å; R348-Q367 WeakPolarHBondContact O-CA 3.35Å; R348-D368 IonicContact CZ-OD1 3.68Å; R348-D368 VanDerWaalsContact CZ-OD1 3.27Å; R348-D368 IonicContact CZ-OD2 3.82Å; R348-D368 IonicContact NE-OD1 3.84Å; R348-D368 PolarHBondContact NE-OD1 3.45Å; R348-D368 IonicContact NE-OD2 3.27Å; R348-D368 IonicContact NH2-OD1 2.79Å; R348-D368 PolarHBondContact NH2-OD1 2.81Å; R348-D368 IonicContact NH2-OD2 2.8Å; R348-D368 PolarHBondContact NH2-OD2 2.94Å; R348-D368 PolarHBondContact O-N 2.92Å
349L98.6Very high98.1Very high23 Ų2345.7 Ų45.712%0.1227%0.267CS..EExtended strand (participates in β ladder)trans-88.1133.5179.3-171.872000110.3S154 Q344 D346 V365S154-L349 WeakPolarHBondContact CB-O 3.41Å; S154-L349 PolarHBondContact OG-O 3.05Å; Q344-L349 HydrophobicContact CB-CD2 3.73Å; Q344-L349 HydrophobicContact CG-CD2 4.04Å; Q344-L349 VanDerWaalsContact OE1-CD2 3.3Å; D346-L349 HydrophobicContact CB-CB 3.81Å; D346-L349 PolarHBondContact O-N 3.11Å; D346-L349 VanDerWaalsContact O-N 3.17Å; L349-V365 HydrophobicContact CD1-CG1 3.69Å; L349-V365 HydrophobicContact CG-CG1 4.38Å
350V98.8Very high98.1Very high0 Ų046.3 Ų46.30%028%0.276CS..EExtended strand (participates in β ladder)trans-125.7124.8-179.9-178.60000110.4A152 A153 V365 H366 A372A152-V350 HydrophobicContact CB-CG1 3.56Å; A153-V350 WeakPolarHBondContact O-CA 3.39Å; V350-V365 WeakPolarHBondContact O-CA 3.35Å; V350-H366 PolarHBondContact N-O 2.7Å; V350-H366 PolarHBondContact O-N 3.11Å; V350-A372 HydrophobicContact CG2-CB 4.29Å
351H98.7Very high98.2Very high13 Ų1342.4 Ų42.46%0.0625%0.248CC..EExtended strand (participates in β ladder)trans-93.1114.4160.5-68.171.5000108.1A153 V342 F353 V363 S364A153-H351 PolarHBondContact N-O 3.31Å; A153-H351 PolarHBondContact O-N 3.27Å; V342-H351 HydrophobicContact CG2-CB 3.78Å; H351-F353 HydrophobicContact CB-CE2 3.9Å; H351-F353 HydrophobicContact CB-CZ 4.31Å; H351-F353 WeakPolarHBondContact O-CD2 3.26Å; H351-V363 HydrophobicContact CB-CG1 4.1Å; H351-S364 CarbonylContact C-O 3.47Å; H351-S364 WeakPolarHBondContact CA-O 3.47Å
352L98.7Very high98.2Very high3 Ų344.5 Ų44.52%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-93.5107.1179.8-17469.1000109.5Q150 A152 V165 V363 S364 Y371Q150-L352 HydrophobicContact CB-CD1 4.12Å; A152-L352 HydrophobicContact CB-CD1 4.24Å; V165-L352 HydrophobicContact CB-CD1 4.26Å; V165-L352 HydrophobicContact CG2-CD1 3.81Å; L352-V363 WeakPolarHBondContact O-CA 3.21Å; L352-S364 PolarHBondContact N-O 3.37Å; L352-S364 PolarHBondContact O-N 2.95Å; L352-S364 VanDerWaalsContact O-N 3.09Å; L352-Y371 HydrophobicContact CD1-CD1 4.32Å; L352-Y371 HydrophobicContact CD2-CD1 4.17Å; L352-Y371 HydrophobicContact CD2-CE1 3.69Å
353F98.8Very high98.2Very high0 Ų046.3 Ų46.30%027%0.272CS..EExtended strand (participates in β ladder)trans-82.4118173.4-63.3-92.6000108.9W149 Q150 L151 A153 F334 F337 A338 T341 V342 H351 V361 T362 V363W149-F353 HydrophobicContact CZ3-CB 4.18Å; Q150-F353 CarbonylContact C-O 3.59Å; Q150-F353 VanDerWaalsContact CA-O 3.29Å; Q150-F353 WeakPolarHBondContact CA-O 3.43Å; L151-F353 HydrophobicContact CB-CB 4.46Å; L151-F353 PolarHBondContact N-O 3.47Å; L151-F353 PolarHBondContact O-N 3.48Å; A153-F353 HydrophobicContact CB-CD2 4Å; A153-F353 HydrophobicContact CB-CE2 3.58Å; F334-F353 HydrophobicContact CE2-CB 3.95Å; F334-F353 AromaticContact CE2-CD1 3.9Å; F334-F353 HydrophobicContact CE2-CD1 3.9Å; F334-F353 AromaticContact CE2-CG 3.94Å; F334-F353 HydrophobicContact CE2-CG 3.94Å; F334-F353 HydrophobicContact CZ-CB 4.1Å; F334-F353 HydrophobicContact CZ-CD1 4.25Å; F334-F353 HydrophobicContact CZ-CD2 4.36Å; F334-F353 AromaticContact CZ-CG 3.96Å; F334-F353 HydrophobicContact CZ-CG 3.96Å; F337-F353 AromaticContact CD1-CD1 3.98Å; F337-F353 HydrophobicContact CD1-CD1 3.98Å; F337-F353 AromaticContact CD1-CE1 3.65Å; F337-F353 HydrophobicContact CD1-CE1 3.65Å; F337-F353 AromaticContact CE1-CD1 3.77Å; F337-F353 HydrophobicContact CE1-CD1 3.77Å; F337-F353 AromaticContact CE1-CE1 3.55Å; F337-F353 HydrophobicContact CE1-CE1 3.55Å; F337-F353 HydrophobicContact CZ-CE1 4.41Å; A338-F353 HydrophobicContact CB-CE1 4.23Å; A338-F353 HydrophobicContact CB-CE2 4.12Å; A338-F353 HydrophobicContact CB-CZ 3.79Å; T341-F353 HydrophobicContact CG2-CE1 4.32Å; T341-F353 HydrophobicContact CG2-CZ 3.99Å; V342-F353 HydrophobicContact CG2-CE2 4.16Å; V342-F353 HydrophobicContact CG2-CZ 4.25Å; H351-F353 HydrophobicContact CB-CE2 3.9Å; H351-F353 HydrophobicContact CB-CZ 4.31Å; H351-F353 WeakPolarHBondContact O-CD2 3.26Å; F353-V361 HydrophobicContact CB-CG1 3.94Å; F353-V361 HydrophobicContact CD1-CG1 4.12Å; F353-T362 CarbonylContact C-O 3.53Å; F353-T362 WeakPolarHBondContact CA-O 3.21Å; F353-V363 HydrophobicContact CD1-CG2 3.69Å; F353-V363 HydrophobicContact CE1-CG2 3.58Å; F353-V363 HydrophobicContact CZ-CG2 4.37Å
354S98.7Very high98.3Very high22 Ų2243.5 Ų43.515%0.15426%0.257CS..EExtended strand (participates in β ladder)trans-117.9135.6-178.9-57.40000110.6Q150 V361 T362Q150-S354 PolarHBondContact NE2-OG 2.95Å; S354-V361 WeakPolarHBondContact O-CA 3.44Å; S354-T362 PolarHBondContact N-O 2.83Å; S354-T362 PolarHBondContact O-N 3.41Å; S354-T362 PolarHBondContact O-OG1 2.88Å
355W98.7Very high98.3Very high6 Ų642.7 Ų42.72%0.02326%0.259CS..EExtended strand (participates in β ladder)trans-140.6138.3178.7177.772.7000111.8T31 T141 E144 E147 G148 W149 P357 G359 V361T31-W355 PolarHBondContact OG1-NE1 3.26Å; T141-W355 HydrophobicContact CG2-CD2 3.65Å; T141-W355 VanDerWaalsContact CG2-CE2 3.46Å; T141-W355 HydrophobicContact CG2-CE3 4.04Å; T141-W355 HydrophobicContact CG2-CG 4.19Å; T141-W355 HydrophobicContact CG2-CH2 4Å; T141-W355 HydrophobicContact CG2-CZ2 3.64Å; T141-W355 HydrophobicContact CG2-CZ3 4.2Å; T141-W355 WeakPolarHBondContact O-CH2 3.16Å; T141-W355 WeakPolarHBondContact O-CZ2 3.28Å; E144-W355 HydrophobicContact CB-CH2 3.81Å; E144-W355 HydrophobicContact CB-CZ3 4.14Å; E144-W355 HydrophobicContact CG-CH2 4.12Å; E144-W355 HydrophobicContact CG-CZ3 4.08Å; E147-W355 WeakPolarHBondContact O-CZ3 3.37Å; G148-W355 CarbonylContact C-O 3.6Å; G148-W355 WeakPolarHBondContact CA-O 3.33Å; W149-W355 AromaticContact CD1-CE3 3.43Å; W149-W355 VanDerWaalsContact CD1-CE3 3.43Å; W149-W355 AromaticContact CD1-CZ3 3.94Å; W149-W355 HydrophobicContact CD2-CB 4.03Å; W149-W355 HydrophobicContact CD2-CE3 4.49Å; W149-W355 AromaticContact CE2-CE3 3.88Å; W149-W355 HydrophobicContact CE3-CB 4.27Å; W149-W355 HydrophobicContact CG-CE3 4.23Å; W149-W355 HydrophobicContact CH2-CB 3.89Å; W149-W355 HydrophobicContact CZ2-CB 3.62Å; W149-W355 HydrophobicContact CZ2-CD2 4.42Å; W149-W355 HydrophobicContact CZ2-CG 4.04Å; W149-W355 HydrophobicContact CZ3-CB 4.21Å; W149-W355 PolarHBondContact N-O 3.07Å; W149-W355 AromaticContact NE1-CD2 3.84Å; W149-W355 AromaticContact NE1-CE3 3.18Å; W149-W355 AromaticContact NE1-CZ3 3.83Å; W149-W355 PolarHBondContact O-N 3.26Å; W355-P357 HydrophobicContact CH2-CB 4.44Å; W355-P357 HydrophobicContact CH2-CG 4.04Å; W355-P357 HydrophobicContact CZ3-CG 4.35Å; W355-G359 VanDerWaalsContact CD1-O 3.31Å; W355-G359 PolarHBondContact NE1-O 3.35Å; W355-V361 HydrophobicContact CB-CG2 4.19Å; W355-V361 HydrophobicContact CG-CG2 4.3Å
356E98.4Very high98.3Very high95 Ų9541.3 Ų41.344%0.44425%0.25SC..  trans-129.5149.3171.1-71.1-63.9155.600109.6G358 G359E356-G358 PolarHBondContact O-N 3.44Å; E356-G359 PolarHBondContact O-N 2.95Å
357P98.2Very high98.3Very high46 Ų4644.5 Ų44.530%0.29926%0.263SS..THydrogen-bonded Turntrans-48.9131179-3237.6000114.5W355 G359W355-P357 HydrophobicContact CH2-CB 4.44Å; W355-P357 HydrophobicContact CH2-CG 4.04Å; W355-P357 HydrophobicContact CZ3-CG 4.35Å; P357-G359 VanDerWaalsContact C-N 3.28Å; P357-G359 PolarHBondContact O-N 3.43Å
358G96.5Very high98.2Very high85 Ų8546 Ų4688%0.87627%0.27SS*.THydrogen-bonded Turntrans84-9.5-179.200000115.2E356E356-G358 PolarHBondContact O-N 3.44Å
359G97.1Very high98.1Very high23 Ų2344 Ų4424%0.23728%0.282CS..SBendtrans-103166.6175.300000114T31 W355 E356 P357T31-G359 PolarHBondContact OG1-O 3.2Å; W355-G359 VanDerWaalsContact CD1-O 3.31Å; W355-G359 PolarHBondContact NE1-O 3.35Å; E356-G359 PolarHBondContact O-N 2.95Å; P357-G359 VanDerWaalsContact C-N 3.28Å; P357-G359 PolarHBondContact O-N 3.43Å
360P98.3Very high98Very high57 Ų5747 Ų4737%0.3730%0.303SS..PPolyproline II helixtrans-75.1164166.435.2-35.6000110.7L29 T362L29-P360 CarbonylContact O-C 3.59Å; L29-P360 VanDerWaalsContact O-CA 3.28Å; L29-P360 WeakPolarHBondContact O-CA 3.37Å; L29-P360 WeakPolarHBondContact O-CB 3.49Å; P360-T362 HydrophobicContact CG-CG2 4.42Å
361V98.7Very high97.9Very high0 Ų050.1 Ų50.10%032%0.315CS..EExtended strand (participates in β ladder)trans-70.1129.9164.2-170.90000108.4S28 L29 T31 W149 F330 F334 F353 S354 W355S28-V361 CarbonylContact C-O 3.59Å; S28-V361 WeakPolarHBondContact CA-O 3.43Å; S28-V361 VanDerWaalsContact CB-O 3.3Å; S28-V361 WeakPolarHBondContact CB-O 3.39Å; L29-V361 HydrophobicContact CB-CB 4.11Å; L29-V361 HydrophobicContact CB-CG2 4.35Å; L29-V361 HydrophobicContact CD2-CG2 4.39Å; L29-V361 PolarHBondContact N-O 3.31Å; L29-V361 PolarHBondContact O-N 3.44Å; T31-V361 HydrophobicContact CG2-CG2 3.86Å; W149-V361 HydrophobicContact CH2-CG1 3.91Å; W149-V361 HydrophobicContact CH2-CG2 3.91Å; W149-V361 HydrophobicContact CZ2-CG2 4.17Å; W149-V361 HydrophobicContact CZ3-CG1 4.35Å; F330-V361 HydrophobicContact CE2-CG2 4.49Å; F330-V361 HydrophobicContact CZ-CG2 4.18Å; F334-V361 HydrophobicContact CD2-CG1 4.48Å; F334-V361 HydrophobicContact CD2-CG2 4.49Å; F334-V361 HydrophobicContact CE2-CG1 4.13Å; F353-V361 HydrophobicContact CB-CG1 3.94Å; F353-V361 HydrophobicContact CD1-CG1 4.12Å; S354-V361 WeakPolarHBondContact O-CA 3.44Å; W355-V361 HydrophobicContact CB-CG2 4.19Å; W355-V361 HydrophobicContact CG-CG2 4.3Å
362T98.5Very high97.9Very high69 Ų6950.8 Ų50.842%0.42332%0.323SS..EExtended strand (participates in β ladder)trans-115.2161.2178.359.30000110.6F353 S354 P360F353-T362 CarbonylContact C-O 3.53Å; F353-T362 WeakPolarHBondContact CA-O 3.21Å; S354-T362 PolarHBondContact N-O 2.83Å; S354-T362 PolarHBondContact O-N 3.41Å; S354-T362 PolarHBondContact O-OG1 2.88Å; P360-T362 HydrophobicContact CG-CG2 4.42Å
363V98.4Very high97.9Very high38 Ų3851 Ų5123%0.2332%0.324CS..EExtended strand (participates in β ladder)trans-126.4135.3-175.9-171.90000110.5F337 T341 H351 L352 F353F337-V363 HydrophobicContact CE1-CG2 3.64Å; F337-V363 HydrophobicContact CZ-CG2 3.61Å; T341-V363 HydrophobicContact CG2-CG1 3.91Å; T341-V363 HydrophobicContact CG2-CG2 4.28Å; H351-V363 HydrophobicContact CB-CG1 4.1Å; L352-V363 WeakPolarHBondContact O-CA 3.21Å; F353-V363 HydrophobicContact CD1-CG2 3.69Å; F353-V363 HydrophobicContact CE1-CG2 3.58Å; F353-V363 HydrophobicContact CZ-CG2 4.37Å
364S97.9Very high97.9Very high48 Ų4851.8 Ų51.834%0.33633%0.328SS..EExtended strand (participates in β ladder)trans-126.4154.5165.256.20000110H351 L352 H366H351-S364 CarbonylContact C-O 3.47Å; H351-S364 WeakPolarHBondContact CA-O 3.47Å; L352-S364 PolarHBondContact N-O 3.37Å; L352-S364 PolarHBondContact O-N 2.95Å; L352-S364 VanDerWaalsContact O-N 3.09Å; S364-H366 PolarHBondContact OG-NE2 3.16Å
365V98.2Very high97.9Very high86 Ų8652 Ų5252%0.52133%0.328SS..EExtended strand (participates in β ladder)trans-114.7131.8-176.5-174.70000109.5L349 V350L349-V365 HydrophobicContact CD1-CG1 3.69Å; L349-V365 HydrophobicContact CG-CG1 4.38Å; V350-V365 WeakPolarHBondContact O-CA 3.35Å
366H98.4Very high97.8Very high53 Ų5357.6 Ų57.625%0.24536%0.358CS..EExtended strand (participates in β ladder)trans-134.7160.3-178.4-54.3-92000109.9V350 S364 Y371V350-H366 PolarHBondContact N-O 2.7Å; V350-H366 PolarHBondContact O-N 3.11Å; S364-H366 PolarHBondContact OG-NE2 3.16Å; H366-Y371 HydrophobicContact CB-CD2 3.57Å; H366-Y371 HydrophobicContact CB-CE2 4.26Å; H366-Y371 HydrophobicContact CB-CG 4.22Å; H366-Y371 AromaticContact CE1-CE2 3.58Å; H366-Y371 AromaticContact CG-CD2 3.42Å; H366-Y371 VanDerWaalsContact CG-CD2 3.42Å; H366-Y371 AromaticContact CG-CE2 3.64Å; H366-Y371 AromaticContact ND1-CD2 3.54Å; H366-Y371 AromaticContact ND1-CE2 3.27Å; H366-Y371 VanDerWaalsContact ND1-CE2 3.27Å; H366-Y371 WeakPolarHBondContact ND1-CE2 3.48Å
367Q97.7Very high97.7Very high110 Ų11057.8 Ų57.851%0.51435%0.354SS..EExtended strand (participates in β ladder)trans-133.5141.2174.7-168.5169.433.200109.2R348R348-Q367 HydrophobicContact CB-CG 4.49Å; R348-Q367 WeakPolarHBondContact O-CA 3.35Å
368D97.3Very high97.7Very high56 Ų5655.6 Ų55.630%0.29934%0.34SS..SBendtrans59-151.7179-58-44.9000113.8R348 Y371 A372R348-D368 IonicContact CZ-OD1 3.68Å; R348-D368 VanDerWaalsContact CZ-OD1 3.27Å; R348-D368 IonicContact CZ-OD2 3.82Å; R348-D368 IonicContact NE-OD1 3.84Å; R348-D368 PolarHBondContact NE-OD1 3.45Å; R348-D368 IonicContact NE-OD2 3.27Å; R348-D368 IonicContact NH2-OD1 2.79Å; R348-D368 PolarHBondContact NH2-OD1 2.81Å; R348-D368 IonicContact NH2-OD2 2.8Å; R348-D368 PolarHBondContact NH2-OD2 2.94Å; R348-D368 PolarHBondContact O-N 2.92Å; D368-Y371 PolarHBondContact O-N 2.83Å; D368-Y371 VanDerWaalsContact O-N 3.16Å; D368-A372 WeakPolarHBondContact O-CB 3.16Å; D368-A372 PolarHBondContact O-N 2.79Å
369A95Very high97.8Very high91 Ų9152.9 Ų52.975%0.75231%0.307SS*.THydrogen-bonded Turntrans-63.7143.4-178.400000111.8
370P96.4Very high97.8Very high86 Ų8657 Ų5756%0.55832%0.32SS*.THydrogen-bonded Turncis-90.5-5.54.935.4-36000114.6R102R102-P370 PolarHBondContact NH1-O 2.83Å; R102-P370 PolarHBondContact NH2-O 2.74Å
371Y98.1Very high97.6Very high65 Ų6555.5 Ų55.526%0.25531%0.312SS..THydrogen-bonded Turntrans-88.6-31.9-165.7-62-72.8000114.5R102 V165 L352 H366 D368 F373R102-Y371 PolarHBondContact NH1-O 2.81Å; V165-Y371 HydrophobicContact CG1-CD1 4.45Å; V165-Y371 HydrophobicContact CG1-CE1 4.32Å; V165-Y371 HydrophobicContact CG2-CD1 4.45Å; L352-Y371 HydrophobicContact CD1-CD1 4.32Å; L352-Y371 HydrophobicContact CD2-CD1 4.17Å; L352-Y371 HydrophobicContact CD2-CE1 3.69Å; H366-Y371 HydrophobicContact CB-CD2 3.57Å; H366-Y371 HydrophobicContact CB-CE2 4.26Å; H366-Y371 HydrophobicContact CB-CG 4.22Å; H366-Y371 AromaticContact CE1-CE2 3.58Å; H366-Y371 AromaticContact CG-CD2 3.42Å; H366-Y371 VanDerWaalsContact CG-CD2 3.42Å; H366-Y371 AromaticContact CG-CE2 3.64Å; H366-Y371 AromaticContact ND1-CD2 3.54Å; H366-Y371 AromaticContact ND1-CE2 3.27Å; H366-Y371 VanDerWaalsContact ND1-CE2 3.27Å; H366-Y371 WeakPolarHBondContact ND1-CE2 3.48Å; D368-Y371 PolarHBondContact O-N 2.83Å; D368-Y371 VanDerWaalsContact O-N 3.16Å; Y371-F373 PolarHBondContact O-N 3.05Å
372A98.3Very high97.4Very high28 Ų2856.1 Ų56.123%0.23132%0.315CS..  trans-57.3126.5177.200000109.4R102 V350 D368R102-A372 PolarHBondContact NH1-O 3.18Å; V350-A372 HydrophobicContact CG2-CB 4.29Å; D368-A372 WeakPolarHBondContact O-CB 3.16Å; D368-A372 PolarHBondContact O-N 2.79Å
373F98.6Very high97.2Very high8 Ų856 Ų564%0.03531%0.314CS..  trans-127.2-7.1-167.565.7-92.5000114.3R102 L103 A152 Y371 P375R102-F373 VanDerWaalsContact CD-CB 3.48Å; R102-F373 VanDerWaalsContact NH1-CA 3.33Å; R102-F373 VanDerWaalsContact NH1-CB 3.3Å; L103-F373 HydrophobicContact CD1-CD2 4.18Å; L103-F373 HydrophobicContact CD1-CE2 3.71Å; L103-F373 HydrophobicContact CG-CD2 4.41Å; L103-F373 HydrophobicContact CG-CE2 4.4Å; A152-F373 HydrophobicContact CB-CD1 3.77Å; A152-F373 HydrophobicContact CB-CE1 3.81Å; Y371-F373 PolarHBondContact O-N 3.05Å; F373-P375 VanDerWaalsContact O-CD 3.3Å; F373-P375 WeakPolarHBondContact O-CD 3.5Å
374L98.6Very high96.5Very high16 Ų1661.6 Ų61.68%0.08434%0.338CS..SBendtrans-80.5112.9170.9-66.3179.4000108.2L107 F156 Y161 P347 Y378 V379L107-L374 HydrophobicContact CD1-CD2 3.88Å; L107-L374 HydrophobicContact CD2-CD2 4.38Å; F156-L374 HydrophobicContact CB-CD1 3.65Å; F156-L374 HydrophobicContact CD1-CD1 4.23Å; F156-L374 HydrophobicContact CG-CD1 4.19Å; Y161-L374 HydrophobicContact CD1-CD2 3.91Å; Y161-L374 HydrophobicContact CD2-CD1 3.93Å; Y161-L374 HydrophobicContact CD2-CD2 4.17Å; Y161-L374 HydrophobicContact CE1-CD2 4.35Å; Y161-L374 HydrophobicContact CE2-CD1 4.27Å; Y161-L374 HydrophobicContact CG-CD1 4.37Å; Y161-L374 HydrophobicContact CG-CD2 3.83Å; P347-L374 HydrophobicContact CB-CB 4.2Å; P347-L374 HydrophobicContact CB-CD1 3.75Å; L374-Y378 HydrophobicContact CD2-CD1 4.39Å; L374-V379 HydrophobicContact CB-CG2 4Å
375P98Very high95Very high25 Ų2563.8 Ų63.816%0.16235%0.346CS..  trans-73.8152.3-173.930.3-34.5000111.4L107 F373 W377 Y378 V379L107-P375 HydrophobicContact CD1-CG 4.21Å; F373-P375 VanDerWaalsContact O-CD 3.3Å; F373-P375 WeakPolarHBondContact O-CD 3.5Å; P375-W377 VanDerWaalsContact C-N 3.27Å; P375-W377 HydrophobicContact CB-CD2 4.34Å; P375-W377 HydrophobicContact CB-CG 4.28Å; P375-W377 HydrophobicContact CB-CZ2 4.28Å; P375-W377 VanDerWaalsContact CB-NE1 3.3Å; P375-W377 HydrophobicContact CG-CD2 3.9Å; P375-W377 HydrophobicContact CG-CG 4.36Å; P375-W377 HydrophobicContact CG-CH2 4.09Å; P375-W377 HydrophobicContact CG-CZ2 3.32Å; P375-W377 VanDerWaalsContact CG-NE1 3.35Å; P375-W377 PolarHBondContact O-N 3.11Å; P375-Y378 WeakPolarHBondContact O-CB 3.21Å; P375-Y378 PolarHBondContact O-N 2.86Å; P375-V379 PolarHBondContact O-N 2.96Å; P375-V379 VanDerWaalsContact O-N 3.12Å
376I97.2Very high93.2Very high125 Ų12564.6 Ų64.664%0.64135%0.347SS*.Hα-helixtrans-54.7-42.7-176.5-66.1172.8000111.4Y378 V379 E380I376-Y378 PolarHBondContact O-N 3.32Å; I376-V379 PolarHBondContact O-N 3.04Å; I376-E380 HydrophobicContact CG2-CG 3.87Å; I376-E380 VanDerWaalsContact CG2-OE1 3.22Å; I376-E380 WeakPolarHBondContact CG2-OE1 3.41Å; I376-E380 WeakPolarHBondContact O-CB 3.22Å; I376-E380 WeakPolarHBondContact O-CG 3.39Å; I376-E380 PolarHBondContact O-N 3.43Å
377W97.5Very high91.1Very high98 Ų9867.7 Ų67.737%0.37137%0.371SS..Hα-helixtrans-59-34.217959.9-105.6000113D104 L107 C108 L111 P375 A381D104-W377 HydrophobicContact CB-CZ2 4.24Å; L107-W377 HydrophobicContact CB-CH2 3.58Å; L107-W377 HydrophobicContact CB-CZ2 4.45Å; L107-W377 HydrophobicContact CB-CZ3 4.22Å; C108-W377 VanDerWaalsContact SG-CH2 3.55Å; L111-W377 HydrophobicContact CD1-CE3 3.6Å; L111-W377 HydrophobicContact CD1-CZ3 3.46Å; L111-W377 VanDerWaalsContact CD1-CZ3 3.46Å; L111-W377 HydrophobicContact CG-CZ3 4.23Å; P375-W377 VanDerWaalsContact C-N 3.27Å; P375-W377 HydrophobicContact CB-CD2 4.34Å; P375-W377 HydrophobicContact CB-CG 4.28Å; P375-W377 HydrophobicContact CB-CZ2 4.28Å; P375-W377 VanDerWaalsContact CB-NE1 3.3Å; P375-W377 HydrophobicContact CG-CD2 3.9Å; P375-W377 HydrophobicContact CG-CG 4.36Å; P375-W377 HydrophobicContact CG-CH2 4.09Å; P375-W377 HydrophobicContact CG-CZ2 3.32Å; P375-W377 VanDerWaalsContact CG-NE1 3.35Å; P375-W377 PolarHBondContact O-N 3.11Å; W377-A381 VanDerWaalsContact O-CB 3.25Å; W377-A381 WeakPolarHBondContact O-CB 3.29Å; W377-A381 PolarHBondContact O-N 2.96Å
378Y98.1Very high88.4Confident0 Ų067.5 Ų67.50%038%0.382CS..Hα-helixtrans-74.6-47.9177.9-178.8-102.2000110.7L107 L110 L111 F156 Y161 L374 P375 I376 A381 M382L107-Y378 HydrophobicContact CB-CD2 3.74Å; L107-Y378 HydrophobicContact CB-CE2 4.08Å; L107-Y378 HydrophobicContact CB-CG 4.21Å; L107-Y378 HydrophobicContact CD1-CD1 4.33Å; L107-Y378 HydrophobicContact CD1-CG 4.18Å; L107-Y378 HydrophobicContact CD2-CD1 4.31Å; L107-Y378 HydrophobicContact CD2-CD2 4.23Å; L107-Y378 HydrophobicContact CD2-CE1 4.01Å; L107-Y378 HydrophobicContact CD2-CE2 3.96Å; L107-Y378 HydrophobicContact CD2-CG 4.42Å; L107-Y378 HydrophobicContact CG-CD2 4.37Å; L110-Y378 HydrophobicContact CD2-CE2 4.37Å; L110-Y378 WeakPolarHBondContact CD2-OH 3.22Å; L111-Y378 HydrophobicContact CD1-CD2 3.99Å; L111-Y378 HydrophobicContact CD2-CD2 3.64Å; L111-Y378 HydrophobicContact CD2-CE2 3.64Å; L111-Y378 HydrophobicContact CG-CD2 3.55Å; L111-Y378 HydrophobicContact CG-CE2 3.78Å; F156-Y378 HydrophobicContact CD1-CD1 4.38Å; F156-Y378 AromaticContact CD1-CE1 3.95Å; F156-Y378 HydrophobicContact CD1-CE1 3.95Å; F156-Y378 HydrophobicContact CE1-CD1 4.18Å; F156-Y378 AromaticContact CE1-CE1 3.95Å; F156-Y378 HydrophobicContact CE1-CE1 3.95Å; Y161-Y378 HydrophobicContact CE1-CE1 4.11Å; Y161-Y378 AromaticContact CZ-CE1 3.9Å; Y161-Y378 PolarHBondContact OH-OH 2.91Å; L374-Y378 HydrophobicContact CD2-CD1 4.39Å; P375-Y378 WeakPolarHBondContact O-CB 3.21Å; P375-Y378 PolarHBondContact O-N 2.86Å; I376-Y378 PolarHBondContact O-N 3.32Å; Y378-A381 PolarHBondContact O-N 3.38Å; Y378-M382 HydrophobicContact CD1-CG 4.33Å; Y378-M382 HydrophobicContact CD2-CG 4.34Å; Y378-M382 HydrophobicContact CE1-CG 3.92Å; Y378-M382 HydrophobicContact CE2-CG 3.91Å; Y378-M382 HydrophobicContact CE2-SD 4.29Å; Y378-M382 WeakPolarHBondContact O-CB 3.24Å; Y378-M382 VanDerWaalsContact O-CG 3.3Å; Y378-M382 WeakPolarHBondContact O-CG 3.37Å; Y378-M382 PolarHBondContact O-N 3.16Å
379V97.7Very high86.1Confident28 Ų2870.1 Ų70.117%0.1740%0.403CS..Hα-helixtrans-62.3-45.7-178.5175.60000111F156 P347 L374 P375 I376 T383F156-V379 HydrophobicContact CE1-CG2 4.39Å; F156-V379 HydrophobicContact CE2-CG1 4.04Å; F156-V379 HydrophobicContact CZ-CB 4.27Å; F156-V379 HydrophobicContact CZ-CG1 3.92Å; F156-V379 HydrophobicContact CZ-CG2 4.45Å; P347-V379 HydrophobicContact CB-CG1 4.46Å; P347-V379 HydrophobicContact CB-CG2 3.74Å; P347-V379 HydrophobicContact CG-CG1 3.88Å; P347-V379 HydrophobicContact CG-CG2 4.07Å; L374-V379 HydrophobicContact CB-CG2 4Å; P375-V379 PolarHBondContact O-N 2.96Å; P375-V379 VanDerWaalsContact O-N 3.12Å; I376-V379 PolarHBondContact O-N 3.04Å; V379-T383 VanDerWaalsContact O-CB 3.31Å; V379-T383 WeakPolarHBondContact O-CB 3.4Å; V379-T383 PolarHBondContact O-N 2.96Å; V379-T383 PolarHBondContact O-OG1 3.41Å
380E96.6Very high83.6Confident110 Ų11071.5 Ų71.551%0.51440%0.404SS..Hα-helixtrans-63.2-48178.2-72.8178.9168.500111.6I376 M382 T383 Q384I376-E380 HydrophobicContact CG2-CG 3.87Å; I376-E380 VanDerWaalsContact CG2-OE1 3.22Å; I376-E380 WeakPolarHBondContact CG2-OE1 3.41Å; I376-E380 WeakPolarHBondContact O-CB 3.22Å; I376-E380 WeakPolarHBondContact O-CG 3.39Å; I376-E380 PolarHBondContact O-N 3.43Å; E380-M382 PolarHBondContact O-N 3.32Å; E380-T383 PolarHBondContact O-N 3.23Å; E380-Q384 WeakPolarHBondContact O-CG 3.47Å; E380-Q384 PolarHBondContact O-N 3.24Å
381A95.6Very high81.3Confident25 Ų2577.1 Ų77.121%0.20742%0.419CS..Hα-helixtrans-61-43.7179.800000112.4L111 W377 Y378 T383L111-A381 HydrophobicContact CD1-CB 3.95Å; L111-A381 HydrophobicContact CD2-CB 3.88Å; W377-A381 VanDerWaalsContact O-CB 3.25Å; W377-A381 WeakPolarHBondContact O-CB 3.29Å; W377-A381 PolarHBondContact O-N 2.96Å; Y378-A381 PolarHBondContact O-N 3.38Å; A381-T383 VanDerWaalsContact C-N 3.32Å; A381-T383 PolarHBondContact O-N 3.16Å
382M94Very high79Confident14 Ų1480.1 Ų80.17%0.06944%0.444CS..Hα-helixtrans-69.8-28.1177.5-69.4-67.6-73.900112.9L111 L124 F156 Q157 Y378 E380L111-M382 HydrophobicContact CD2-CG 3.75Å; L111-M382 HydrophobicContact CD2-SD 3.71Å; L124-M382 HydrophobicContact CD2-CE 4.14Å; F156-M382 HydrophobicContact CE1-CB 3.63Å; F156-M382 HydrophobicContact CE1-CG 4.07Å; F156-M382 HydrophobicContact CZ-CB 3.82Å; Q157-M382 PolarHBondContact NE2-O 2.83Å; Y378-M382 HydrophobicContact CD1-CG 4.33Å; Y378-M382 HydrophobicContact CD2-CG 4.34Å; Y378-M382 HydrophobicContact CE1-CG 3.92Å; Y378-M382 HydrophobicContact CE2-CG 3.91Å; Y378-M382 HydrophobicContact CE2-SD 4.29Å; Y378-M382 WeakPolarHBondContact O-CB 3.24Å; Y378-M382 VanDerWaalsContact O-CG 3.3Å; Y378-M382 WeakPolarHBondContact O-CG 3.37Å; Y378-M382 PolarHBondContact O-N 3.16Å; E380-M382 PolarHBondContact O-N 3.32Å
383T92.8Very high76.6Confident65 Ų6584.2 Ų84.240%0.39947%0.469SS..Hα-helixtrans-78.8-36.5-179.8-57.80000112.1V379 E380 A381 D385 L386V379-T383 VanDerWaalsContact O-CB 3.31Å; V379-T383 WeakPolarHBondContact O-CB 3.4Å; V379-T383 PolarHBondContact O-N 2.96Å; V379-T383 PolarHBondContact O-OG1 3.41Å; E380-T383 PolarHBondContact O-N 3.23Å; A381-T383 VanDerWaalsContact C-N 3.32Å; A381-T383 PolarHBondContact O-N 3.16Å; T383-D385 PolarHBondContact O-N 3.47Å; T383-L386 HydrophobicContact CG2-CD1 4.42Å; T383-L386 PolarHBondContact O-N 2.87Å
384Q84.8Confident74.5Confident156 Ų15689 Ų8973%0.72950%0.503SS*.Hα-helixtrans-63.2-27179.1-73.4175.216.400113.2E380 L386E380-Q384 WeakPolarHBondContact O-CG 3.47Å; E380-Q384 PolarHBondContact O-N 3.24Å; Q384-L386 VanDerWaalsContact C-N 3.3Å; Q384-L386 PolarHBondContact O-N 3.26Å
385D66.8Low72.9Confident95 Ų9594.3 Ų94.351%0.50854%0.539SS..THydrogen-bonded Turntrans-81.8-0.7-178.7-77.2-15000114.6R114 T383 P387R114-D385 IonicContact CZ-OD2 3.09Å; R114-D385 IonicContact NE-OD2 2.7Å; R114-D385 PolarHBondContact NE-OD2 3.01Å; R114-D385 IonicContact NH2-OD1 2.66Å; R114-D385 IonicContact NH2-OD2 3.42Å; R114-D385 PolarHBondContact NH2-OD2 2.77Å; T383-D385 PolarHBondContact O-N 3.47Å; D385-P387 WeakPolarHBondContact O-CD 3.47Å
386L60.5Low70.8Confident103 Ų103106.6 Ų106.654%0.53959%0.59SS.*SBendtrans-67.8125.2174.8-75.9163000109.7T383 Q384 S388T383-L386 HydrophobicContact CG2-CD1 4.42Å; T383-L386 PolarHBondContact O-N 2.87Å; Q384-L386 VanDerWaalsContact C-N 3.3Å; Q384-L386 PolarHBondContact O-N 3.26Å; L386-S388 PolarHBondContact O-N 2.99Å; L386-S388 VanDerWaalsContact O-N 3.16Å
387P53.6Low69.5Low117 Ų117105.7 Ų105.776%0.7659%0.587SS**PPolyproline II helixtrans-56.2127.7169.622.2-30000108D385D385-P387 WeakPolarHBondContact O-CD 3.47Å
388S41.7Very low68Low107 Ų107106.1 Ų106.175%0.74860%0.598SS**PPolyproline II helixtrans-49.5136.3177-45.10000108.8L386L386-S388 PolarHBondContact O-N 2.99Å; L386-S388 VanDerWaalsContact O-N 3.16Å
389P48.2Very low66.3Low111 Ų111111.9 Ų111.972%0.72163%0.632SS**PPolyproline II helixtrans-53.3138.9176.221.7-31.2000108.3K391P389-K391 PolarHBondContact O-N 2.88Å
390P43.2Very low64.5Low120 Ų120116.9 Ų116.978%0.77966%0.659SS**PPolyproline II helixtrans-53.9121.2179.820.2-29.6000107.8T392P390-T392 PolarHBondContact O-N 3.06Å
391K46.5Very low62.5Low204 Ų204117.3 Ų117.389%0.88767%0.668SS**  trans-55.7108.2173.8-76.2-176.9178.7178.60106.7P389 P393P389-K391 PolarHBondContact O-N 2.88Å; K391-P393 WeakPolarHBondContact O-CD 3.45Å; K391-P393 VanDerWaalsContact O-N 3.16Å
392T50.3Low60.3Low127 Ų127123.5 Ų123.578%0.77970%0.699SS**PPolyproline II helixtrans-55.4121.9169.4-26.70000106.3P390 S394P390-T392 PolarHBondContact O-N 3.06Å; T392-S394 PolarHBondContact O-N 3.12Å; T392-S394 VanDerWaalsContact O-N 3.13Å
393P49Very low57.9Low114 Ų114131.3 Ų131.374%0.7474%0.743SS**PPolyproline II helixtrans-63121.9173.824.6-29.2000106.9K391K391-P393 WeakPolarHBondContact O-CD 3.45Å; K391-P393 VanDerWaalsContact O-N 3.16Å
394S54.4Low55.2Low109 Ų109136.4 Ų136.476%0.76277%0.77SS**PPolyproline II helixtrans-53.4129.2171.3-53.30000108.3T392 K396T392-S394 PolarHBondContact O-N 3.12Å; T392-S394 VanDerWaalsContact O-N 3.13Å; S394-K396 PolarHBondContact O-N 3Å
395P63.7Low52.7Low128 Ų128134.8 Ų134.883%0.83177%0.773SS**PPolyproline II helixtrans-62.7134.5174.121.8-23.6000108.6
396K54.7Low51.4Low282 Ų282138.4 Ų138.4100%1.22680%0.798SS**  trans-64.60169.9-82.9-174.2175.5-1790111.4S394S394-K396 PolarHBondContact O-N 3Å

Retrieved 396 of 396 residues in 1133.9 ms (Link to these results)