A0A061ADP1_CAEEL Loading...

Suppressor of Stomatin mutant Uncoordination

AlphaFold DB , UniProt , Accession A0A061ADP1, Species CAEEL (Caenorhabditis elegans), Gene ssu-2, Length 397 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
1M34.2Very low53.1Low241 Ų241119.4 Ų119.4100%1.18761%0.608SS**  066.10-168-179-86.300108
2F32.5Very low55.1Low213 Ų213117.3 Ų117.393%0.93461%0.609SS**  trans-90.4153.3172.6-81.1-89.9000108
3S39.7Very low56.3Low86 Ų86110.8 Ų110.860%0.60157%0.574SS**  trans91.170.9162.3-158.70000118.4S6S3-S6 PolarHBondContact OG-OG 2.74Å
4L38.6Very low56.6Low146 Ų146110.2 Ų110.276%0.76459%0.594SS**SBendtrans-127.213.4145.8-79.8173.7000112.5
5Y44.6Very low56.3Low95 Ų95107.6 Ų107.637%0.37360%0.603SS.*SBendtrans-134.70.1-171.9-81.1-59.4000114.6D7 F10 K285Y5-D7 VanDerWaalsContact C-N 3.27Å; Y5-D7 PolarHBondContact O-N 3.4Å; Y5-F10 HydrophobicContact CD1-CE1 4.44Å; Y5-F10 AromaticContact CD1-CE2 3.32Å; Y5-F10 HydrophobicContact CD1-CE2 3.32Å; Y5-F10 AromaticContact CD1-CZ 3.25Å; Y5-F10 HydrophobicContact CD1-CZ 3.25Å; Y5-F10 HydrophobicContact CE1-CE1 4.01Å; Y5-F10 AromaticContact CE1-CE2 3.64Å; Y5-F10 HydrophobicContact CE1-CE2 3.64Å; Y5-F10 AromaticContact CE1-CZ 3.17Å; Y5-F10 HydrophobicContact CE1-CZ 3.17Å; Y5-F10 HydrophobicContact CG-CE2 4.36Å; Y5-K285 HydrophobicContact CE2-CD 4.05Å; Y5-K285 VanDerWaalsContact CZ-CE 3.42Å; Y5-K285 WeakPolarHBondContact OH-CD 3.44Å; Y5-K285 WeakPolarHBondContact OH-CE 3Å; Y5-K285 PolarHBondContact OH-NZ 2.74Å
6S48.2Very low56.1Low83 Ų83103.8 Ų103.858%0.5858%0.577SS**THydrogen-bonded Turntrans-70.4-21.8-174.451.20000114.1S3S3-S6 PolarHBondContact OG-OG 2.74Å
7D52.6Low55.7Low149 Ų149108.2 Ų108.280%0.79759%0.589SS**THydrogen-bonded Turntrans-1179.2-170.3-50.9-20.4000113.2Y5Y5-D7 VanDerWaalsContact C-N 3.27Å; Y5-D7 PolarHBondContact O-N 3.4Å
8I61Low55.3Low54 Ų54106.3 Ų106.328%0.27758%0.583SS.*  trans-110.6113.2-179.1-56.1173.5000109.1F10 Y283I8-F10 HydrophobicContact CB-CE2 3.87Å; I8-F10 HydrophobicContact CB-CZ 3.77Å; I8-F10 HydrophobicContact CD1-CZ 4.37Å; I8-F10 HydrophobicContact CG2-CD1 4.4Å; I8-F10 HydrophobicContact CG2-CD2 4.47Å; I8-F10 HydrophobicContact CG2-CE1 3.81Å; I8-F10 HydrophobicContact CG2-CE2 3.87Å; I8-F10 HydrophobicContact CG2-CZ 3.45Å; I8-F10 VanDerWaalsContact CG2-CZ 3.45Å; I8-F10 WeakPolarHBondContact O-CD2 3.28Å; I8-F10 WeakPolarHBondContact O-CE2 3.14Å; I8-F10 PolarHBondContact O-N 3.41Å; I8-Y283 HydrophobicContact CD1-CE1 4.46Å
9E73Confident54.9Low182 Ų182102.8 Ų102.885%0.8557%0.566SS**  trans-74.3106.7169.5-69.2-173.9172.200109.7
10F80.9Confident54.3Low40 Ų40103.9 Ų103.918%0.17557%0.571CS.*  trans-77.9144.8173.6-68.6-75.1000110.9Y5 I8 P12 A86 R87 Y283 V347Y5-F10 HydrophobicContact CD1-CE1 4.44Å; Y5-F10 AromaticContact CD1-CE2 3.32Å; Y5-F10 HydrophobicContact CD1-CE2 3.32Å; Y5-F10 AromaticContact CD1-CZ 3.25Å; Y5-F10 HydrophobicContact CD1-CZ 3.25Å; Y5-F10 HydrophobicContact CE1-CE1 4.01Å; Y5-F10 AromaticContact CE1-CE2 3.64Å; Y5-F10 HydrophobicContact CE1-CE2 3.64Å; Y5-F10 AromaticContact CE1-CZ 3.17Å; Y5-F10 HydrophobicContact CE1-CZ 3.17Å; Y5-F10 HydrophobicContact CG-CE2 4.36Å; I8-F10 HydrophobicContact CB-CE2 3.87Å; I8-F10 HydrophobicContact CB-CZ 3.77Å; I8-F10 HydrophobicContact CD1-CZ 4.37Å; I8-F10 HydrophobicContact CG2-CD1 4.4Å; I8-F10 HydrophobicContact CG2-CD2 4.47Å; I8-F10 HydrophobicContact CG2-CE1 3.81Å; I8-F10 HydrophobicContact CG2-CE2 3.87Å; I8-F10 HydrophobicContact CG2-CZ 3.45Å; I8-F10 VanDerWaalsContact CG2-CZ 3.45Å; I8-F10 WeakPolarHBondContact O-CD2 3.28Å; I8-F10 WeakPolarHBondContact O-CE2 3.14Å; I8-F10 PolarHBondContact O-N 3.41Å; F10-P12 VanDerWaalsContact O-CD 3.32Å; F10-P12 WeakPolarHBondContact O-CD 3.46Å; F10-A86 HydrophobicContact CD1-CB 3.69Å; F10-A86 HydrophobicContact CE1-CB 3.83Å; F10-R87 WeakPolarHBondContact CA-O 3.5Å; F10-R87 WeakPolarHBondContact CD1-O 3.24Å; F10-Y283 AromaticContact CE1-CD2 3.74Å; F10-Y283 HydrophobicContact CE1-CD2 3.74Å; F10-Y283 AromaticContact CE1-CE2 3.8Å; F10-Y283 HydrophobicContact CE1-CE2 3.8Å; F10-Y283 HydrophobicContact CE1-CG 4.49Å; F10-V347 HydrophobicContact CD2-CG1 4.34Å
11V78.9Confident53.9Low24 Ų24106.1 Ų106.115%0.14557%0.572CS.*  trans-73.4115173.1-179.80000107.3R87 T89 P117 W118V11-R87 PolarHBondContact N-O 3.2Å; V11-T89 HydrophobicContact CG2-CG2 3.9Å; V11-P117 HydrophobicContact CG1-CB 4.47Å; V11-P117 HydrophobicContact CG1-CG 4.06Å; V11-P117 HydrophobicContact CG2-CB 4.4Å; V11-P117 HydrophobicContact CG2-CG 4.07Å; V11-W118 PolarHBondContact O-NE1 3.05Å
12P77.1Confident54.1Low95 Ų95101.6 Ų101.662%0.61755%0.548SS*.  trans-63147-178.126.4-33.8000110.7F10 A14F10-P12 VanDerWaalsContact O-CD 3.32Å; F10-P12 WeakPolarHBondContact O-CD 3.46Å; P12-A14 PolarHBondContact O-N 3.16Å
13I71.4Confident54.6Low32 Ų3295.7 Ų95.716%0.16454%0.538CS..  trans-91.2101176.9-52.5172000108.1G15 Y16 W118 C348 R349I13-G15 PolarHBondContact O-N 2.98Å; I13-Y16 HydrophobicContact CG2-CD2 4.36Å; I13-W118 HydrophobicContact CD1-CH2 3.88Å; I13-W118 HydrophobicContact CD1-CZ2 3.83Å; I13-W118 HydrophobicContact CD1-CZ3 4.48Å; I13-W118 HydrophobicContact CG1-CD2 4.39Å; I13-W118 HydrophobicContact CG1-CH2 4.06Å; I13-W118 HydrophobicContact CG1-CZ2 3.49Å; I13-W118 VanDerWaalsContact CG1-CZ2 3.49Å; I13-C348 VanDerWaalsContact CD1-C 3.43Å; I13-R349 HydrophobicContact CD1-CB 4.06Å
14A59.8Low54.6Low103 Ų10395.6 Ų95.685%0.85154%0.538SS*.THydrogen-bonded Turntrans-67120.7174.700000110.1P12P12-A14 PolarHBondContact O-N 3.16Å
15G52.8Low54.7Low71 Ų7193 Ų9373%0.73254%0.538SS*.THydrogen-bonded Turntrans7130.5173.900000115.1I13 K17I13-G15 PolarHBondContact O-N 2.98Å; G15-K17 VanDerWaalsContact C-N 3.3Å; G15-K17 PolarHBondContact O-N 3.46Å
16Y51.8Low54.7Low46 Ų4693 Ų9318%0.1855%0.551CS.*  trans-55.297.7167.4-177.6-106.1000108.9I13 Y317 R349I13-Y16 HydrophobicContact CG2-CD2 4.36Å; Y16-Y317 WeakPolarHBondContact OH-CE1 3.34Å; Y16-Y317 PolarHBondContact OH-OH 3.39Å; Y16-R349 HydrophobicContact CE2-CB 4.38Å; Y16-R349 HydrophobicContact CE2-CG 4.17Å
17K49.3Very low54.6Low180 Ų18091.8 Ų91.878%0.78354%0.542SS*.PPolyproline II helixtrans-78124.3168.1-72.5-177179.8179.30105.4G15G15-K17 VanDerWaalsContact C-N 3.3Å; G15-K17 PolarHBondContact O-N 3.46Å
18P49.9Very low54.2Low74 Ų7493.6 Ų93.648%0.48154%0.543SS..PPolyproline II helixtrans-52.2141.3161.425.5-31.5000106.7N20P18-N20 PolarHBondContact O-N 3.36Å
19P47.3Very low53.9Low40 Ų4094.6 Ų94.626%0.2655%0.548SS..PPolyproline II helixtrans-50.3146.3176.632.9-46.3000109.4Y21 Y317P19-Y21 PolarHBondContact O-N 3Å; P19-Y317 HydrophobicContact CB-CD2 3.81Å; P19-Y317 HydrophobicContact CB-CE2 3.78Å; P19-Y317 HydrophobicContact CB-CG 4.39Å; P19-Y317 VanDerWaalsContact CD-CE1 3.41Å; P19-Y317 HydrophobicContact CG-CD1 3.65Å; P19-Y317 HydrophobicContact CG-CD2 3.28Å; P19-Y317 HydrophobicContact CG-CE1 3.78Å; P19-Y317 HydrophobicContact CG-CE2 3.43Å; P19-Y317 VanDerWaalsContact CG-CE2 3.43Å; P19-Y317 HydrophobicContact CG-CG 3.4Å; P19-Y317 VanDerWaalsContact CG-CG 3.4Å
20N42.1Very low53Low123 Ų12391.8 Ų91.866%0.65853%0.534SS*.PPolyproline II helixtrans-62.6125.5164.8-146.67.5000106.1P18 E22P18-N20 PolarHBondContact O-N 3.36Å; N20-E22 HydrophobicContact CB-CG 4.3Å; N20-E22 PolarHBondContact ND2-OE1 3.2Å; N20-E22 PolarHBondContact O-N 3.3Å
21Y46.7Very low52.1Low151 Ų15194.4 Ų94.459%0.59254%0.544SS*.  trans-69.648.3171.1-65.8-89.1000109.8P19 A23P19-Y21 PolarHBondContact O-N 3Å; Y21-A23 PolarHBondContact O-N 3.13Å
22E39Very low51.3Low146 Ų14697.4 Ų97.468%0.68256%0.555SS**  trans-65.6108.7166.8-82.1175.9-153.600105.4N20 S24N20-E22 HydrophobicContact CB-CG 4.3Å; N20-E22 PolarHBondContact ND2-OE1 3.2Å; N20-E22 PolarHBondContact O-N 3.3Å; E22-S24 PolarHBondContact O-N 3.47Å
23A42.7Very low50.4Low89 Ų89100.1 Ų100.174%0.73656%0.564SS**  trans-5583.2-178.600000109.9Y21 A25Y21-A23 PolarHBondContact O-N 3.13Å; A23-A25 PolarHBondContact O-N 3.45Å
24S38.8Very low49.8Very low85 Ų85103.5 Ų103.559%0.59458%0.583SS**  trans-61.2121.7162.357.40000105.6E22 S26E22-S24 PolarHBondContact O-N 3.47Å; S24-S26 PolarHBondContact O-N 3.21Å
25A41.8Very low50.3Low92 Ų92101.4 Ų101.476%0.7656%0.557SS**  trans-39.1121.9-163.400000112.3A23 S27A23-A25 PolarHBondContact O-N 3.45Å; A25-S27 PolarHBondContact O-N 2.97Å
26S44.1Very low51.4Low95 Ų95104.6 Ų104.666%0.66456%0.556SS**  trans-32.5102.5170.2174.90000109.7S24 K28S24-S26 PolarHBondContact O-N 3.21Å; S26-K28 PolarHBondContact O-N 3.44Å
27S45Very low52.6Low56 Ų56106 Ų10639%0.39257%0.57SS.*  trans-56.3116.3163.6420000104.9A25 M29A25-S27 PolarHBondContact O-N 2.97Å; S27-M29 PolarHBondContact O-N 3.23Å
28K45.6Very low54.4Low188 Ų18898.4 Ų98.482%0.81754%0.537SS*.  trans-41.6116.6-178.6-75.9-179.3176.5-179.90108.1S26 Q30S26-K28 PolarHBondContact O-N 3.44Å; K28-Q30 WeakPolarHBondContact O-CG 3.46Å; K28-Q30 PolarHBondContact O-N 3.08Å
29M53.8Low56.3Low74 Ų7496.3 Ų96.337%0.36553%0.529SS..  trans-51.5109.4174.6-62.2178.4101.800107.1S27 Y31 F311S27-M29 PolarHBondContact O-N 3.23Å; M29-Y31 VanDerWaalsContact C-N 3.34Å; M29-Y31 HydrophobicContact CB-CD2 3.81Å; M29-Y31 HydrophobicContact CB-CE2 3.32Å; M29-Y31 HydrophobicContact CE-CE2 4.39Å; M29-Y31 WeakPolarHBondContact CE-OH 3.43Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 PolarHBondContact O-N 3.03Å; M29-Y31 VanDerWaalsContact O-N 3.09Å; M29-Y31 HydrophobicContact SD-CE2 3.8Å; M29-Y31 PolarHBondContact SD-OH 3Å; M29-F311 HydrophobicContact CB-CE2 4.24Å; M29-F311 HydrophobicContact CE-CE2 3.86Å; M29-F311 HydrophobicContact CE-CZ 4.46Å; M29-F311 HydrophobicContact CG-CE2 4.24Å
30Q54.1Low58.4Low123 Ų12398.8 Ų98.858%0.57554%0.537SS*.  trans-84.188.6179.3-68.6-173.610.500107K28 F32K28-Q30 WeakPolarHBondContact O-CG 3.46Å; K28-Q30 PolarHBondContact O-N 3.08Å; Q30-F32 HydrophobicContact CB-CE2 4.23Å; Q30-F32 HydrophobicContact CB-CZ 4.4Å; Q30-F32 WeakPolarHBondContact O-CD2 3.36Å
31Y62.6Low60.7Low96 Ų96100.1 Ų100.138%0.37654%0.537SS..  trans-78127.1166.3-65.4-76.7000108.2M29 I310 F311 Y324M29-Y31 VanDerWaalsContact C-N 3.34Å; M29-Y31 HydrophobicContact CB-CD2 3.81Å; M29-Y31 HydrophobicContact CB-CE2 3.32Å; M29-Y31 HydrophobicContact CE-CE2 4.39Å; M29-Y31 WeakPolarHBondContact CE-OH 3.43Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 PolarHBondContact O-N 3.03Å; M29-Y31 VanDerWaalsContact O-N 3.09Å; M29-Y31 HydrophobicContact SD-CE2 3.8Å; M29-Y31 PolarHBondContact SD-OH 3Å; Y31-I310 WeakPolarHBondContact CA-O 3.35Å; Y31-F311 HydrophobicContact CE1-CD2 4.46Å; Y31-Y324 HydrophobicContact CD1-CE2 4.43Å; Y31-Y324 AromaticContact CE1-CD2 3.83Å; Y31-Y324 HydrophobicContact CE1-CD2 3.83Å; Y31-Y324 AromaticContact CE1-CE2 3.79Å; Y31-Y324 HydrophobicContact CE1-CE2 3.79Å
32F61.7Low62.9Low87 Ų8796 Ų9638%0.38252%0.523SS..  trans-97.3116.6173.9-60.3-94.3000108.6Q30 D34 R309 I310Q30-F32 HydrophobicContact CB-CE2 4.23Å; Q30-F32 HydrophobicContact CB-CZ 4.4Å; Q30-F32 WeakPolarHBondContact O-CD2 3.36Å; F32-D34 PolarHBondContact O-N 3.33Å; F32-R309 WeakPolarHBondContact CD2-O 3.37Å; F32-R309 HydrophobicContact CE2-CG 4.5Å; F32-I310 PolarHBondContact N-O 3.27Å
33D58.1Low65.4Low151 Ų15189 Ų8981%0.80749%0.491SS*.  trans-82.75.2-163-80.8-29.7000116.8
34D59.7Low67.8Low104 Ų10487.8 Ų87.856%0.55647%0.467SS*.  trans-123.492-173.2-58.1-47.1000113.4F32 K308F32-D34 PolarHBondContact O-N 3.33Å; D34-K308 VanDerWaalsContact O-CD 3.25Å; D34-K308 WeakPolarHBondContact O-CD 3.27Å; D34-K308 WeakPolarHBondContact O-CE 3.4Å; D34-K308 PolarHBondContact O-NZ 3.24Å
35I69.9Low70.3Confident59 Ų5988.3 Ų88.330%0.30346%0.46SS..  trans-100.399.6155.8-56.1155.6000106.2P37 T74 I310 A359 P361I35-P37 VanDerWaalsContact O-CD 3.26Å; I35-P37 WeakPolarHBondContact O-CD 3.5Å; I35-T74 HydrophobicContact CD1-CG2 3.96Å; I35-I310 HydrophobicContact CD1-CG2 4.21Å; I35-I310 HydrophobicContact CG1-CG2 4.19Å; I35-A359 HydrophobicContact CD1-CB 3.27Å; I35-A359 HydrophobicContact CG1-CB 3.68Å; I35-P361 HydrophobicContact CG2-CB 3.87Å
36I74.5Confident72.8Confident138 Ų13884.1 Ų84.171%0.70843%0.426SS*.PPolyproline II helixtrans-76.7118.3177.7-58.2173.9000107.5
37P78.6Confident75Confident74 Ų7479.8 Ų79.848%0.48140%0.395SS..PPolyproline II helixtrans-65.3150.9175.8-15.429.5000111.3I35 G39 P72I35-P37 VanDerWaalsContact O-CD 3.26Å; I35-P37 WeakPolarHBondContact O-CD 3.5Å; P37-G39 PolarHBondContact O-N 2.8Å; P37-P72 HydrophobicContact CB-CB 3.56Å; P37-P72 HydrophobicContact CB-CG 4.35Å; P37-P72 HydrophobicContact CG-CB 4.15Å
38F87.5Confident77.1Confident22 Ų2281 Ų8110%0.09639%0.394CS..PPolyproline II helixtrans-73.3122.2178.3-56.6-54.7000110.6E42 P361 S363 V378 G380 K383F38-E42 HydrophobicContact CB-CB 4.05Å; F38-E42 HydrophobicContact CD1-CB 4.17Å; F38-E42 HydrophobicContact CD1-CG 4.49Å; F38-E42 HydrophobicContact CG-CB 4.5Å; F38-P361 HydrophobicContact CE1-CG 4.42Å; F38-P361 HydrophobicContact CE2-CB 3.82Å; F38-P361 HydrophobicContact CE2-CG 3.81Å; F38-P361 HydrophobicContact CZ-CB 3.91Å; F38-P361 HydrophobicContact CZ-CG 3.5Å; F38-P361 VanDerWaalsContact CZ-CG 3.5Å; F38-S363 WeakPolarHBondContact CB-OG 3.34Å; F38-S363 PolarHBondContact N-OG 3.16Å; F38-V378 HydrophobicContact CD2-CB 4.3Å; F38-V378 HydrophobicContact CD2-CG1 3.89Å; F38-V378 HydrophobicContact CE2-CG1 4.21Å; F38-V378 HydrophobicContact CG-CG1 4.41Å; F38-G380 WeakPolarHBondContact CZ-O 3.42Å; F38-K383 HydrophobicContact CD1-CG 4.38Å; F38-K383 HydrophobicContact CE1-CG 3.9Å; F38-K383 HydrophobicContact CZ-CG 4.18Å
39G88.6Confident79.2Confident29 Ų2977.3 Ų77.330%0.29938%0.378SS..  trans-75.2178.9170.800000111.9P37 F41 E42 C43P37-G39 PolarHBondContact O-N 2.8Å; G39-F41 VanDerWaalsContact C-N 3.26Å; G39-F41 PolarHBondContact O-N 3.23Å; G39-E42 WeakPolarHBondContact CA-OE2 3.48Å; G39-E42 PolarHBondContact N-OE2 2.87Å; G39-E42 PolarHBondContact O-N 2.94Å; G39-C43 WeakPolarHBondContact O-CB 3.32Å; G39-C43 PolarHBondContact O-N 3.41Å; G39-C43 PolarHBondContact O-SG 2.93Å
40E91.3Very high80.9Confident92 Ų9275.2 Ų75.243%0.4337%0.367SS..Hα-helixtrans-58.7-40.6178.5-174.2-179.3165.300112C43 R44 F67 I70E40-C43 PolarHBondContact O-N 3.42Å; E40-R44 HydrophobicContact CG-CG 4.43Å; E40-R44 WeakPolarHBondContact O-CB 3.46Å; E40-R44 WeakPolarHBondContact O-CG 3.41Å; E40-R44 PolarHBondContact O-N 3.34Å; E40-R44 IonicContact OE1-CZ 3.2Å; E40-R44 IonicContact OE1-NE 2.83Å; E40-R44 PolarHBondContact OE1-NE 2.83Å; E40-R44 IonicContact OE1-NH2 2.73Å; E40-R44 PolarHBondContact OE1-NH2 2.97Å; E40-F67 HydrophobicContact CG-CB 4.28Å; E40-F67 HydrophobicContact CG-CD2 3.8Å; E40-F67 HydrophobicContact CG-CG 4.39Å; E40-I70 VanDerWaalsContact CA-CD1 3.48Å; E40-I70 HydrophobicContact CB-CD1 3.88Å; E40-I70 HydrophobicContact CG-CD1 4.43Å
41F91.1Very high82.5Confident152 Ų15269.6 Ų69.667%0.66734%0.341SS*.Hα-helixtrans-61.2-50180178.8-98.4000111.6G39 C43 R44 E45G39-F41 VanDerWaalsContact C-N 3.26Å; G39-F41 PolarHBondContact O-N 3.23Å; F41-C43 VanDerWaalsContact C-N 3.3Å; F41-C43 PolarHBondContact O-N 2.85Å; F41-R44 PolarHBondContact O-N 2.73Å; F41-E45 WeakPolarHBondContact O-CB 3.5Å; F41-E45 PolarHBondContact O-N 3.38Å
42E92.2Very high83.6Confident64 Ų6472.8 Ų72.830%0.29936%0.358SS..Hα-helixtrans-62.3-39.6178.2-66.477.7-17100111.5F38 G39 E45 A46 K383F38-E42 HydrophobicContact CB-CB 4.05Å; F38-E42 HydrophobicContact CD1-CB 4.17Å; F38-E42 HydrophobicContact CD1-CG 4.49Å; F38-E42 HydrophobicContact CG-CB 4.5Å; G39-E42 WeakPolarHBondContact CA-OE2 3.48Å; G39-E42 PolarHBondContact N-OE2 2.87Å; G39-E42 PolarHBondContact O-N 2.94Å; E42-E45 PolarHBondContact O-N 3.02Å; E42-A46 WeakPolarHBondContact O-CB 3.44Å; E42-A46 PolarHBondContact O-N 2.95Å; E42-K383 HydrophobicContact CB-CD 4.42Å
43C92.4Very high84.7Confident0 Ų075.5 Ų75.50%037%0.365CS..Hα-helixtrans-66-39.7177.6-68.20000112.1G39 E40 F41 L47 F67 V365 V378G39-C43 WeakPolarHBondContact O-CB 3.32Å; G39-C43 PolarHBondContact O-N 3.41Å; G39-C43 PolarHBondContact O-SG 2.93Å; E40-C43 PolarHBondContact O-N 3.42Å; F41-C43 VanDerWaalsContact C-N 3.3Å; F41-C43 PolarHBondContact O-N 2.85Å; C43-L47 WeakPolarHBondContact O-CB 3.47Å; C43-L47 PolarHBondContact O-N 3.42Å; C43-F67 HydrophobicContact CB-CD2 4.28Å; C43-F67 HydrophobicContact CB-CE2 3.72Å; C43-V365 HydrophobicContact CB-CG2 4.01Å; C43-V378 HydrophobicContact CB-CG2 4.11Å
44R92.2Very high85.9Confident62 Ų6271.7 Ų71.723%0.23434%0.342CS..Hα-helixtrans-67.1-43.9176.5-74.8-175.2-175.5-77.22.2111.5E40 F41 A46 L47 E48 M65 F67E40-R44 HydrophobicContact CG-CG 4.43Å; E40-R44 WeakPolarHBondContact O-CB 3.46Å; E40-R44 WeakPolarHBondContact O-CG 3.41Å; E40-R44 PolarHBondContact O-N 3.34Å; E40-R44 IonicContact OE1-CZ 3.2Å; E40-R44 IonicContact OE1-NE 2.83Å; E40-R44 PolarHBondContact OE1-NE 2.83Å; E40-R44 IonicContact OE1-NH2 2.73Å; E40-R44 PolarHBondContact OE1-NH2 2.97Å; F41-R44 PolarHBondContact O-N 2.73Å; R44-A46 VanDerWaalsContact C-N 3.35Å; R44-A46 PolarHBondContact O-N 3.29Å; R44-L47 PolarHBondContact O-N 2.89Å; R44-E48 WeakPolarHBondContact O-CG 3.17Å; R44-E48 PolarHBondContact O-N 2.82Å; R44-M65 PolarHBondContact NH1-O 3.09Å; R44-M65 PolarHBondContact NH2-O 3.38Å; R44-F67 HydrophobicContact CB-CE2 4.28Å; R44-F67 HydrophobicContact CB-CZ 4.46Å; R44-F67 HydrophobicContact CG-CD2 3.99Å; R44-F67 HydrophobicContact CG-CE1 4.4Å; R44-F67 HydrophobicContact CG-CE2 3.33Å; R44-F67 HydrophobicContact CG-CZ 3.56Å
45E92.6Very high86.6Confident97 Ų9777.4 Ų77.445%0.45336%0.356SS..Hα-helixtrans-59.1-46.3176.4-174.3-168.8-159.400111.5F41 E42 L47 E48 K49 K383F41-E45 WeakPolarHBondContact O-CB 3.5Å; F41-E45 PolarHBondContact O-N 3.38Å; E42-E45 PolarHBondContact O-N 3.02Å; E45-L47 PolarHBondContact O-N 3.2Å; E45-E48 PolarHBondContact O-N 3.39Å; E45-K49 PolarHBondContact O-N 2.9Å; E45-K383 IonicContact OE2-NZ 2.74Å; E45-K383 PolarHBondContact OE2-NZ 2.95Å
46A92.5Very high86.8Confident4 Ų482.2 Ų82.23%0.03337%0.372CS..Hα-helixtrans-58.7-47.5176.900000111.6E42 R44 K49 E50 V378 K383 C385E42-A46 WeakPolarHBondContact O-CB 3.44Å; E42-A46 PolarHBondContact O-N 2.95Å; R44-A46 VanDerWaalsContact C-N 3.35Å; R44-A46 PolarHBondContact O-N 3.29Å; A46-K49 WeakPolarHBondContact O-CB 3.33Å; A46-K49 PolarHBondContact O-N 3.18Å; A46-E50 PolarHBondContact O-N 3.34Å; A46-V378 HydrophobicContact CB-CG1 3.77Å; A46-V378 HydrophobicContact CB-CG2 4.27Å; A46-K383 HydrophobicContact CB-CB 3.81Å; A46-K383 WeakPolarHBondContact CB-O 3.27Å; A46-C385 VanDerWaalsContact C-SG 3.57Å
47L90.9Very high86.9Confident3 Ų378.4 Ų78.42%0.01635%0.348CS..Hα-helixtrans-61.9-45.9178.5-179.857.3000111.7C43 R44 E45 K49 E50 V51 W57 V62 M65 F67 F376 F387C43-L47 WeakPolarHBondContact O-CB 3.47Å; C43-L47 PolarHBondContact O-N 3.42Å; R44-L47 PolarHBondContact O-N 2.89Å; E45-L47 PolarHBondContact O-N 3.2Å; L47-K49 VanDerWaalsContact C-N 3.27Å; L47-K49 PolarHBondContact O-N 3Å; L47-E50 PolarHBondContact O-N 3.25Å; L47-V51 HydrophobicContact CD1-CG2 4.13Å; L47-V51 HydrophobicContact CG-CG2 4.28Å; L47-V51 WeakPolarHBondContact O-CB 3.47Å; L47-V51 WeakPolarHBondContact O-CG2 3.36Å; L47-V51 PolarHBondContact O-N 3.36Å; L47-W57 HydrophobicContact CD1-CZ3 4.35Å; L47-V62 HydrophobicContact CD2-CG1 3.78Å; L47-V62 HydrophobicContact CG-CG1 3.86Å; L47-M65 HydrophobicContact CD2-SD 3.91Å; L47-F67 HydrophobicContact CD2-CE1 4.14Å; L47-F67 HydrophobicContact CD2-CZ 3.91Å; L47-F376 HydrophobicContact CB-CE2 4.47Å; L47-F376 HydrophobicContact CD2-CE1 4.26Å; L47-F376 HydrophobicContact CD2-CZ 4.02Å; L47-F387 HydrophobicContact CD1-CE2 4.11Å; L47-F387 HydrophobicContact CD1-CZ 3.6Å
48E89.8Confident86.9Confident83 Ų8380.3 Ų80.339%0.38835%0.349SS..Hα-helixtrans-60.2-36.9177.3-75.3-168.7169.400112.8R44 E45 K52 V62R44-E48 WeakPolarHBondContact O-CG 3.17Å; R44-E48 PolarHBondContact O-N 2.82Å; E45-E48 PolarHBondContact O-N 3.39Å; E48-K52 WeakPolarHBondContact O-CG 3.38Å; E48-K52 PolarHBondContact O-N 3.48Å; E48-V62 HydrophobicContact CG-CG1 3.99Å
49K90Very high86.6Confident110 Ų11082.4 Ų82.448%0.47837%0.367SS..Hα-helixtrans-66.5-43.2175.4-173.8179.6179-177.60111.3E45 A46 L47 K52E45-K49 PolarHBondContact O-N 2.9Å; A46-K49 WeakPolarHBondContact O-CB 3.33Å; A46-K49 PolarHBondContact O-N 3.18Å; L47-K49 VanDerWaalsContact C-N 3.27Å; L47-K49 PolarHBondContact O-N 3Å; K49-K52 PolarHBondContact O-N 3.48Å
50E88.8Confident86.3Confident29 Ų2989.4 Ų89.414%0.13639%0.389CS..Hα-helixtrans-67.6-39.9179.2-166.762.7-159.800111.6A46 L47 K52 R53 H54 W57 C385A46-E50 PolarHBondContact O-N 3.34Å; L47-E50 PolarHBondContact O-N 3.25Å; E50-K52 PolarHBondContact O-N 3.05Å; E50-R53 WeakPolarHBondContact O-CA 3.41Å; E50-R53 VanDerWaalsContact O-CB 3.32Å; E50-R53 WeakPolarHBondContact O-CB 3.37Å; E50-R53 PolarHBondContact O-N 2.92Å; E50-R53 WeakPolarHBondContact OE2-CD 3.24Å; E50-R53 IonicContact OE2-CZ 3.25Å; E50-R53 IonicContact OE2-NH1 3.88Å; E50-R53 PolarHBondContact OE2-NH1 2.99Å; E50-H54 PolarHBondContact O-CD2 2.96Å; E50-H54 VanDerWaalsContact O-CD2 3.29Å; E50-H54 PolarHBondContact O-N 3.49Å; E50-H54 IonicContact OE1-CD2 3.62Å; E50-H54 IonicContact OE1-NE2 2.95Å; E50-H54 PolarHBondContact OE1-NE2 3.25Å; E50-W57 HydrophobicContact CB-CZ3 4.41Å; E50-W57 HydrophobicContact CG-CH2 4.23Å; E50-W57 HydrophobicContact CG-CZ3 4.02Å; E50-C385 HydrophobicContact CB-CB 4Å; E50-C385 HydrophobicContact CG-CB 3.93Å
51V88Confident85.8Confident5 Ų585.7 Ų85.73%0.0337%0.372CS..Hα-helixtrans-55.5-38.3176.4170.40000112.5L47 R53 H54 W57 V62L47-V51 HydrophobicContact CD1-CG2 4.13Å; L47-V51 HydrophobicContact CG-CG2 4.28Å; L47-V51 WeakPolarHBondContact O-CB 3.47Å; L47-V51 WeakPolarHBondContact O-CG2 3.36Å; L47-V51 PolarHBondContact O-N 3.36Å; V51-R53 PolarHBondContact O-N 3.05Å; V51-H54 PolarHBondContact O-N 3.3Å; V51-W57 HydrophobicContact CB-CB 4.33Å; V51-W57 HydrophobicContact CB-CE3 4.11Å; V51-W57 HydrophobicContact CG1-CB 3.8Å; V51-W57 HydrophobicContact CG2-CE3 3.56Å; V51-W57 HydrophobicContact CG2-CZ3 4.19Å; V51-V62 HydrophobicContact CB-CG2 4.14Å; V51-V62 HydrophobicContact CG1-CG2 4Å; V51-V62 HydrophobicContact CG2-CG2 3.23Å
52K86.1Confident85.3Confident164 Ų16479 Ų7971%0.71334%0.344SS*.Hα-helixtrans-67-23.3177.5-69.1171.7-175.1172.20113E48 K49 E50E48-K52 WeakPolarHBondContact O-CG 3.38Å; E48-K52 PolarHBondContact O-N 3.48Å; K49-K52 PolarHBondContact O-N 3.48Å; E50-K52 PolarHBondContact O-N 3.05Å
53R84.8Confident84.8Confident143 Ų14383.5 Ų83.554%0.5436%0.362SS..Hα-helixtrans-81.1-21.9178.2-63.8172.2171.3174.6-9.7112.4E50 V51E50-R53 WeakPolarHBondContact O-CA 3.41Å; E50-R53 VanDerWaalsContact O-CB 3.32Å; E50-R53 WeakPolarHBondContact O-CB 3.37Å; E50-R53 PolarHBondContact O-N 2.92Å; E50-R53 WeakPolarHBondContact OE2-CD 3.24Å; E50-R53 IonicContact OE2-CZ 3.25Å; E50-R53 IonicContact OE2-NH1 3.88Å; E50-R53 PolarHBondContact OE2-NH1 2.99Å; V51-R53 PolarHBondContact O-N 3.05Å
54H81.6Confident84.5Confident71 Ų7191.3 Ų91.333%0.32940%0.397SS..  trans-102.3115-178.7-69.9-77000111.7E50 V51 Y56 W57E50-H54 PolarHBondContact O-CD2 2.96Å; E50-H54 VanDerWaalsContact O-CD2 3.29Å; E50-H54 PolarHBondContact O-N 3.49Å; E50-H54 IonicContact OE1-CD2 3.62Å; E50-H54 IonicContact OE1-NE2 2.95Å; E50-H54 PolarHBondContact OE1-NE2 3.25Å; V51-H54 PolarHBondContact O-N 3.3Å; H54-Y56 PolarHBondContact O-N 2.91Å; H54-W57 HydrophobicContact CB-CB 4.03Å; H54-W57 VanDerWaalsContact CB-CD1 3.45Å; H54-W57 HydrophobicContact CB-CD2 3.57Å; H54-W57 HydrophobicContact CB-CE3 4.33Å; H54-W57 HydrophobicContact CB-CG 3.42Å; H54-W57 VanDerWaalsContact CB-CG 3.42Å; H54-W57 HydrophobicContact CB-CZ2 4.43Å; H54-W57 AromaticContact CD2-CD2 3.96Å; H54-W57 AromaticContact CD2-CE2 3.76Å; H54-W57 AromaticContact CD2-CH2 3.77Å; H54-W57 AromaticContact CD2-CZ2 3.67Å; H54-W57 AromaticContact CD2-CZ3 3.99Å; H54-W57 AromaticContact CG-CD2 3.88Å; H54-W57 AromaticContact CG-CE2 3.58Å; H54-W57 AromaticContact CG-CZ2 3.87Å; H54-W57 AromaticContact CG-NE1 3.79Å; H54-W57 PolarHBondContact O-N 3.41Å; H54-W57 VanDerWaalsContact O-N 3.08Å
55R74.6Confident84.3Confident224 Ų22489 Ų8985%0.84539%0.388SS*.THydrogen-bonded Turntrans-54.6-29.2-177.2-175176.8179.4178.50.2114.4
56Y75.2Confident84.1Confident161 Ų16188.4 Ų88.463%0.63139%0.389SS*.THydrogen-bonded Turntrans-98.61.5-174.6-57-69.1000113.5H54 C394H54-Y56 PolarHBondContact O-N 2.91Å; Y56-C394 PolarHBondContact O-SG 3.02Å
57W75.9Confident84.1Confident57 Ų5789 Ų8922%0.21639%0.39CS..  trans-94.6125.1-177.1-65.519000110.5L47 E50 V51 H54 F387L47-W57 HydrophobicContact CD1-CZ3 4.35Å; E50-W57 HydrophobicContact CB-CZ3 4.41Å; E50-W57 HydrophobicContact CG-CH2 4.23Å; E50-W57 HydrophobicContact CG-CZ3 4.02Å; V51-W57 HydrophobicContact CB-CB 4.33Å; V51-W57 HydrophobicContact CB-CE3 4.11Å; V51-W57 HydrophobicContact CG1-CB 3.8Å; V51-W57 HydrophobicContact CG2-CE3 3.56Å; V51-W57 HydrophobicContact CG2-CZ3 4.19Å; H54-W57 HydrophobicContact CB-CB 4.03Å; H54-W57 VanDerWaalsContact CB-CD1 3.45Å; H54-W57 HydrophobicContact CB-CD2 3.57Å; H54-W57 HydrophobicContact CB-CE3 4.33Å; H54-W57 HydrophobicContact CB-CG 3.42Å; H54-W57 VanDerWaalsContact CB-CG 3.42Å; H54-W57 HydrophobicContact CB-CZ2 4.43Å; H54-W57 AromaticContact CD2-CD2 3.96Å; H54-W57 AromaticContact CD2-CE2 3.76Å; H54-W57 AromaticContact CD2-CH2 3.77Å; H54-W57 AromaticContact CD2-CZ2 3.67Å; H54-W57 AromaticContact CD2-CZ3 3.99Å; H54-W57 AromaticContact CG-CD2 3.88Å; H54-W57 AromaticContact CG-CE2 3.58Å; H54-W57 AromaticContact CG-CZ2 3.87Å; H54-W57 AromaticContact CG-NE1 3.79Å; H54-W57 PolarHBondContact O-N 3.41Å; H54-W57 VanDerWaalsContact O-N 3.08Å; W57-F387 AromaticContact CH2-CD2 3.74Å; W57-F387 HydrophobicContact CH2-CD2 3.74Å; W57-F387 AromaticContact CH2-CE2 3.47Å; W57-F387 HydrophobicContact CH2-CE2 3.47Å; W57-F387 VanDerWaalsContact CH2-CE2 3.47Å; W57-F387 HydrophobicContact CH2-CZ 4.16Å; W57-F387 AromaticContact CZ3-CE2 3.79Å; W57-F387 HydrophobicContact CZ3-CE2 3.79Å; W57-F387 HydrophobicContact CZ3-CZ 4.21Å
58K79.3Confident84.2Confident115 Ų11592.5 Ų92.550%0.541%0.409SS..  trans-90.9119.7-179-67176.1-172.5153.30110.8K60 T61 L397K58-K60 PolarHBondContact O-N 3.35Å; K58-K60 VanDerWaalsContact O-N 3.16Å; K58-T61 PolarHBondContact O-N 3.34Å; K58-L397 PolarHBondContact NZ-O 3.21Å; K58-L397 PolarHBondContact NZ-OXT 3.02Å
59S81.4Confident84.4Confident66 Ų6694.7 Ų94.746%0.46241%0.414SS..Hα-helixtrans-59.8-28.2176.3-46.90000113.7T61 V62 K63S59-T61 PolarHBondContact O-N 3.2Å; S59-V62 PolarHBondContact O-N 2.82Å; S59-K63 PolarHBondContact O-N 2.88Å
60K81.6Confident84.6Confident175 Ų17591.6 Ų91.676%0.76140%0.402SS*.Hα-helixtrans-61.8-29.4175.2-72.9-173.4178.8-179.60112.5K58K58-K60 PolarHBondContact O-N 3.35Å; K58-K60 VanDerWaalsContact O-N 3.16Å
61T79.9Confident84.8Confident15 Ų1593.3 Ų93.39%0.09241%0.41CS..Hα-helixtrans-81.6-35.7-175.8-45.80000111.5K58 S59 K63 K64 M65 L369 L397K58-T61 PolarHBondContact O-N 3.34Å; S59-T61 PolarHBondContact O-N 3.2Å; T61-K63 VanDerWaalsContact C-N 3.29Å; T61-K63 PolarHBondContact O-N 3.37Å; T61-K64 PolarHBondContact O-N 2.8Å; T61-M65 PolarHBondContact O-N 3.01Å; T61-L369 HydrophobicContact CG2-CD1 3.78Å; T61-L369 HydrophobicContact CG2-CD2 3.4Å; T61-L369 HydrophobicContact CG2-CG 4.18Å; T61-L397 HydrophobicContact CG2-CD2 3.22Å; T61-L397 HydrophobicContact CG2-CG 4.43Å; T61-L397 PolarHBondContact OG1-OXT 2.89Å
62V81.3Confident85Confident11 Ų1197 Ų977%0.06743%0.434CS..Hα-helixtrans-57.2-42.5172.8-178.10000111.5L47 E48 V51 S59 K64 M65L47-V62 HydrophobicContact CD2-CG1 3.78Å; L47-V62 HydrophobicContact CG-CG1 3.86Å; E48-V62 HydrophobicContact CG-CG1 3.99Å; V51-V62 HydrophobicContact CB-CG2 4.14Å; V51-V62 HydrophobicContact CG1-CG2 4Å; V51-V62 HydrophobicContact CG2-CG2 3.23Å; S59-V62 PolarHBondContact O-N 2.82Å; V62-K64 PolarHBondContact O-N 2.8Å; V62-M65 WeakPolarHBondContact O-CB 3.24Å; V62-M65 PolarHBondContact O-N 2.81Å; V62-M65 VanDerWaalsContact O-N 3.13Å
63K83.1Confident85.3Confident158 Ų15892 Ų9269%0.68742%0.42SS*.THydrogen-bonded Turntrans-64.9-20.3177.2-66.9-170.9177.6-167.50113.9S59 T61S59-K63 PolarHBondContact O-N 2.88Å; T61-K63 VanDerWaalsContact C-N 3.29Å; T61-K63 PolarHBondContact O-N 3.37Å
64K85.1Confident85.6Confident165 Ų16587.8 Ų87.872%0.71741%0.41SS*.THydrogen-bonded Turntrans-95.7-8.6177.5-66.5-178.2178.3-172.80112.9T61 V62 N66 L369T61-K64 PolarHBondContact O-N 2.8Å; V62-K64 PolarHBondContact O-N 2.8Å; K64-N66 PolarHBondContact O-N 3.07Å; K64-L369 HydrophobicContact CB-CD1 4.01Å
65M87.3Confident86.1Confident12 Ų1284.4 Ų84.46%0.05939%0.394CS..  trans-71127.5177-74.5-179.7167.600109.9R44 L47 T61 V62 F67 F367 L369 L397R44-M65 PolarHBondContact NH1-O 3.09Å; R44-M65 PolarHBondContact NH2-O 3.38Å; L47-M65 HydrophobicContact CD2-SD 3.91Å; T61-M65 PolarHBondContact O-N 3.01Å; V62-M65 WeakPolarHBondContact O-CB 3.24Å; V62-M65 PolarHBondContact O-N 2.81Å; V62-M65 VanDerWaalsContact O-N 3.13Å; M65-F67 HydrophobicContact CB-CE1 4.2Å; M65-F367 HydrophobicContact CE-CD2 4.1Å; M65-F367 HydrophobicContact CE-CE2 3.68Å; M65-F367 HydrophobicContact CE-CZ 4.26Å; M65-F367 HydrophobicContact CG-CD2 4.22Å; M65-F367 HydrophobicContact SD-CD2 4.07Å; M65-F367 HydrophobicContact SD-CE2 4.24Å; M65-L369 HydrophobicContact CE-CD2 4.01Å; M65-L369 HydrophobicContact CG-CB 4.24Å; M65-L369 HydrophobicContact CG-CD1 3.91Å; M65-L369 HydrophobicContact CG-CD2 4.43Å; M65-L369 HydrophobicContact CG-CG 4.41Å; M65-L397 HydrophobicContact CE-CD2 4.3Å
66N90Very high86.9Confident86 Ų8674.1 Ų74.146%0.4636%0.356SS..EExtended strand (participates in β ladder)trans-92.5132.2170.4-168.948.3000109.5K64 D68 F367 S368K64-N66 PolarHBondContact O-N 3.07Å; N66-D68 PolarHBondContact ND2-OD1 3.29Å; N66-F367 CarbonylContact O-C 3.55Å; N66-F367 WeakPolarHBondContact O-CA 3.23Å; N66-F367 VanDerWaalsContact O-CB 3.28Å; N66-F367 WeakPolarHBondContact O-CB 3.42Å; N66-S368 PolarHBondContact N-O 3.29Å; N66-S368 PolarHBondContact O-N 2.76Å
67F92.3Very high87.9Confident16 Ų1667.2 Ų67.27%0.0733%0.329CS..EExtended strand (participates in β ladder)trans-95105.4176.7-71.19.9000106.7E40 C43 R44 L47 M65 I70 V365 F367 F376E40-F67 HydrophobicContact CG-CB 4.28Å; E40-F67 HydrophobicContact CG-CD2 3.8Å; E40-F67 HydrophobicContact CG-CG 4.39Å; C43-F67 HydrophobicContact CB-CD2 4.28Å; C43-F67 HydrophobicContact CB-CE2 3.72Å; R44-F67 HydrophobicContact CB-CE2 4.28Å; R44-F67 HydrophobicContact CB-CZ 4.46Å; R44-F67 HydrophobicContact CG-CD2 3.99Å; R44-F67 HydrophobicContact CG-CE1 4.4Å; R44-F67 HydrophobicContact CG-CE2 3.33Å; R44-F67 HydrophobicContact CG-CZ 3.56Å; L47-F67 HydrophobicContact CD2-CE1 4.14Å; L47-F67 HydrophobicContact CD2-CZ 3.91Å; M65-F67 HydrophobicContact CB-CE1 4.2Å; F67-I70 HydrophobicContact CD2-CD1 4.43Å; F67-V365 HydrophobicContact CB-CG1 4.18Å; F67-V365 HydrophobicContact CD1-CG1 4.07Å; F67-V365 HydrophobicContact CD2-CG1 3.69Å; F67-V365 HydrophobicContact CE1-CG1 4.42Å; F67-V365 HydrophobicContact CE2-CG1 4.07Å; F67-V365 HydrophobicContact CG-CG1 3.72Å; F67-V365 HydrophobicContact CZ-CG1 4.44Å; F67-F367 HydrophobicContact CD1-CB 4.15Å; F67-F376 HydrophobicContact CE1-CE1 4.04Å; F67-F376 HydrophobicContact CE1-CZ 4.09Å; F67-F376 HydrophobicContact CE2-CZ 4.02Å; F67-F376 HydrophobicContact CZ-CE1 4.05Å; F67-F376 AromaticContact CZ-CZ 3.61Å; F67-F376 HydrophobicContact CZ-CZ 3.61Å
68D92.2Very high88.8Confident76 Ų7664.5 Ų64.541%0.40632%0.319SS..EExtended strand (participates in β ladder)trans-80.7-37.8-171.2-56.3-38.4000111.4N66 H366 S368N66-D68 PolarHBondContact ND2-OD1 3.29Å; D68-H366 PolarHBondContact N-O 2.82Å; D68-S368 PolarHBondContact OD1-OG 3.08Å; D68-S368 VanDerWaalsContact OD2-CB 3.24Å; D68-S368 WeakPolarHBondContact OD2-CB 3.41Å; D68-S368 PolarHBondContact OD2-N 2.77Å; D68-S368 PolarHBondContact OD2-OG 3.37Å
69R94.2Very high89.6Confident130 Ų13059 Ų5949%0.49130%0.295SS..EExtended strand (participates in β ladder)trans-155.6139.4-178.9-170.7174.974.1163.35.5110.9E71 H366R69-E71 HydrophobicContact CG-CG 4.37Å; R69-E71 VanDerWaalsContact CZ-CD 3.45Å; R69-E71 IonicContact CZ-OE1 3.38Å; R69-E71 IonicContact NE-OE1 2.6Å; R69-E71 PolarHBondContact NE-OE1 2.6Å; R69-E71 IonicContact NH1-OE1 3.47Å; R69-E71 PolarHBondContact NH1-OE1 3.47Å; R69-E71 IonicContact NH2-OE1 3.29Å; R69-E71 PolarHBondContact NH2-OE1 3.25Å; R69-E71 IonicContact NH2-OE2 2.86Å; R69-E71 PolarHBondContact NH2-OE2 2.95Å; R69-H366 HydrophobicContact CB-CB 4.14Å; R69-H366 PolarHBondContact N-O 2.99Å; R69-H366 PolarHBondContact NH2-NE2 2.68Å; R69-H366 PolarHBondContact O-N 2.86Å
70I94.4Very high90.4Very high45 Ų4555.9 Ų55.923%0.23127%0.273CS..EExtended strand (participates in β ladder)trans-119.5117.1173.8-55.2177000108E40 F67 P72 K364 V365E40-I70 VanDerWaalsContact CA-CD1 3.48Å; E40-I70 HydrophobicContact CB-CD1 3.88Å; E40-I70 HydrophobicContact CG-CD1 4.43Å; F67-I70 HydrophobicContact CD2-CD1 4.43Å; I70-P72 WeakPolarHBondContact O-CD 3.49Å; I70-K364 WeakPolarHBondContact CA-O 3.34Å; I70-V365 HydrophobicContact CG1-CG1 4.37Å; I70-V365 HydrophobicContact CG1-CG2 4.31Å; I70-V365 HydrophobicContact CG2-CG2 4.39Å
71E93.8Very high91.1Very high64 Ų6448 Ų4830%0.29924%0.239SC..EExtended strand (participates in β ladder)trans-101.9109.8175.9-61.8-173.1136.500109.4R69 K364 H366R69-E71 HydrophobicContact CG-CG 4.37Å; R69-E71 VanDerWaalsContact CZ-CD 3.45Å; R69-E71 IonicContact CZ-OE1 3.38Å; R69-E71 IonicContact NE-OE1 2.6Å; R69-E71 PolarHBondContact NE-OE1 2.6Å; R69-E71 IonicContact NH1-OE1 3.47Å; R69-E71 PolarHBondContact NH1-OE1 3.47Å; R69-E71 IonicContact NH2-OE1 3.29Å; R69-E71 PolarHBondContact NH2-OE1 3.25Å; R69-E71 IonicContact NH2-OE2 2.86Å; R69-E71 PolarHBondContact NH2-OE2 2.95Å; E71-K364 HydrophobicContact CB-CB 4.25Å; E71-K364 PolarHBondContact N-O 2.91Å; E71-K364 PolarHBondContact O-N 3.37Å; E71-H366 IonicContact OE2-NE2 2.8Å; E71-H366 PolarHBondContact OE2-NE2 3.43Å
72P91.7Very high91.8Very high83 Ų8347.4 Ų47.454%0.53924%0.235SC..EExtended strand (participates in β ladder)trans-78139.1176.133.2-35000110.8P37 I70 I362P37-P72 HydrophobicContact CB-CB 3.56Å; P37-P72 HydrophobicContact CB-CG 4.35Å; P37-P72 HydrophobicContact CG-CB 4.15Å; I70-P72 WeakPolarHBondContact O-CD 3.49Å; P72-I362 WeakPolarHBondContact CA-O 3.39Å
73S91.1Very high92.5Very high59 Ų5946.9 Ų46.941%0.41323%0.232SC..EExtended strand (participates in β ladder)trans-145.217117163.10000109.8I362S73-I362 PolarHBondContact N-O 2.86Å; S73-I362 CarbonylContact O-C 3.58Å; S73-I362 WeakPolarHBondContact O-CA 3.44Å; S73-I362 PolarHBondContact O-N 3.18Å; S73-I362 WeakPolarHBondContact OG-CB 3.39Å; S73-I362 WeakPolarHBondContact OG-CG2 3.35Å
74T90.9Very high93Very high55 Ų5539.8 Ų39.834%0.33720%0.202SC..EExtended strand (participates in β ladder)trans-136.2136.4178.1-57.80000108.7I35 I76 A359 I360I35-T74 HydrophobicContact CD1-CG2 3.96Å; T74-I76 HydrophobicContact CG2-CD1 3.8Å; T74-A359 HydrophobicContact CG2-CB 3.75Å; T74-I360 WeakPolarHBondContact CA-O 3.06Å
75S92.8Very high93.4Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-103.4135.1164.4178.40000108.9T293 I360S75-T293 PolarHBondContact OG-O 2.71Å; S75-T293 VanDerWaalsContact OG-O 3.13Å; S75-I360 PolarHBondContact N-O 2.87Å; S75-I360 WeakPolarHBondContact O-CB 3.36Å; S75-I360 PolarHBondContact O-N 3.29Å
76I92.4Very high93.6Very high7 Ų731.4 Ų31.44%0.03617%0.166CC..EExtended strand (participates in β ladder)trans-97.4121.2179.3-55.7-54.3000108.6T74 Y292 T293 I310 Y324 V329 M357 A359T74-I76 HydrophobicContact CG2-CD1 3.8Å; I76-Y292 WeakPolarHBondContact O-CA 3.38Å; I76-T293 HydrophobicContact CB-CG2 3.79Å; I76-T293 HydrophobicContact CG1-CG2 4.42Å; I76-T293 PolarHBondContact N-OG1 3.26Å; I76-T293 PolarHBondContact O-N 3.14Å; I76-I310 HydrophobicContact CD1-CD1 3.72Å; I76-Y324 HydrophobicContact CG1-CE1 4.49Å; I76-V329 HydrophobicContact CB-CG2 4.39Å; I76-V329 HydrophobicContact CG2-CG2 4.08Å; I76-M357 HydrophobicContact CG2-CB 3.88Å; I76-M357 HydrophobicContact CG2-CG 3.99Å; I76-M357 HydrophobicContact CG2-SD 3.81Å; I76-A359 HydrophobicContact CD1-CB 4.11Å
77H95.1Very high93.8Very high16 Ų1627.4 Ų27.47%0.07414%0.144CC..EExtended strand (participates in β ladder)trans-93.4102.2170-179.9-157.6000108.8I79 E290 H291 Y292 M357 N358 I360H77-I79 VanDerWaalsContact CE1-CD1 3.4Å; H77-I79 WeakPolarHBondContact CE1-CD1 3.48Å; H77-I79 WeakPolarHBondContact NE2-CG1 3.24Å; H77-I79 WeakPolarHBondContact O-CD1 3.37Å; H77-E290 IonicContact CE1-OE1 2.64Å; H77-E290 PolarHBondContact CE1-OE1 2.87Å; H77-E290 IonicContact NE2-OE1 3.37Å; H77-E290 PolarHBondContact NE2-OE1 3.04Å; H77-E290 VanDerWaalsContact NE2-OE1 3.17Å; H77-H291 CarbonylContact C-O 3.48Å; H77-H291 WeakPolarHBondContact CA-O 3.26Å; H77-Y292 HydrophobicContact CB-CD1 3.77Å; H77-Y292 HydrophobicContact CB-CE1 3.57Å; H77-Y292 AromaticContact CD2-CE1 3.56Å; H77-Y292 AromaticContact CD2-CE2 3.83Å; H77-Y292 AromaticContact CD2-CZ 3.44Å; H77-Y292 VanDerWaalsContact CD2-CZ 3.44Å; H77-Y292 AromaticContact CE1-CZ 3.78Å; H77-Y292 PolarHBondContact CE1-OH 3.21Å; H77-Y292 VanDerWaalsContact CE1-OH 3.25Å; H77-Y292 AromaticContact CG-CD1 3.94Å; H77-Y292 AromaticContact CG-CE1 3.36Å; H77-Y292 AromaticContact CG-CZ 3.64Å; H77-Y292 AromaticContact ND1-CE1 3.8Å; H77-Y292 AromaticContact ND1-CZ 3.84Å; H77-Y292 AromaticContact NE2-CE2 3.93Å; H77-Y292 AromaticContact NE2-CZ 3.56Å; H77-Y292 PolarHBondContact NE2-OH 3.33Å; H77-M357 CarbonylContact O-C 3.54Å; H77-M357 VanDerWaalsContact O-CA 3.32Å; H77-M357 WeakPolarHBondContact O-CA 3.46Å; H77-N358 HydrophobicContact CB-CB 4.3Å; H77-N358 PolarHBondContact N-O 3.26Å; H77-N358 PolarHBondContact O-N 2.85Å; H77-I360 HydrophobicContact CB-CD1 4.11Å
78Y95.4Very high93.8Very high0 Ų027.2 Ų27.20%015%0.145CC..EExtended strand (participates in β ladder)trans-91.3130176.1174.5-106.4000110.5L80 E290 H291 I321 V329 S333 F336 H355 M357Y78-L80 HydrophobicContact CE1-CB 4.38Å; Y78-E290 CarbonylContact O-C 3.52Å; Y78-E290 WeakPolarHBondContact O-CA 3.36Å; Y78-H291 PolarHBondContact N-O 2.96Å; Y78-H291 PolarHBondContact O-N 3.03Å; Y78-I321 HydrophobicContact CD2-CD1 4.28Å; Y78-I321 HydrophobicContact CE2-CD1 3.7Å; Y78-V329 HydrophobicContact CD2-CG1 4.18Å; Y78-V329 HydrophobicContact CG-CG1 4.47Å; Y78-S333 WeakPolarHBondContact OH-CA 3.45Å; Y78-S333 WeakPolarHBondContact OH-CB 3.21Å; Y78-S333 PolarHBondContact OH-OG 3.46Å; Y78-F336 AromaticContact CD1-CD2 3.93Å; Y78-F336 HydrophobicContact CD1-CD2 3.93Å; Y78-F336 HydrophobicContact CD1-CE2 4.04Å; Y78-F336 AromaticContact CE1-CD2 3.64Å; Y78-F336 HydrophobicContact CE1-CD2 3.64Å; Y78-F336 HydrophobicContact CE1-CE2 4.23Å; Y78-H355 HydrophobicContact CE2-CB 3.77Å; Y78-H355 AromaticContact CE2-ND1 3.77Å; Y78-H355 AromaticContact CZ-ND1 3.98Å; Y78-H355 PolarHBondContact OH-ND1 3.33Å; Y78-M357 HydrophobicContact CD2-CG 3.8Å; Y78-M357 HydrophobicContact CD2-SD 4.46Å
79I96.3Very high93.8Very high0 Ų026.5 Ų26.50%014%0.143CC..EExtended strand (participates in β ladder)trans-124.4132.8176.7-57.397.8000109.7H77 E81 K288 S289 E290 H355 Y356 N358H77-I79 VanDerWaalsContact CE1-CD1 3.4Å; H77-I79 WeakPolarHBondContact CE1-CD1 3.48Å; H77-I79 WeakPolarHBondContact NE2-CG1 3.24Å; H77-I79 WeakPolarHBondContact O-CD1 3.37Å; I79-E81 HydrophobicContact CG2-CG 3.99Å; I79-K288 HydrophobicContact CG2-CD 4.48Å; I79-K288 HydrophobicContact CG2-CG 3.94Å; I79-S289 WeakPolarHBondContact CA-O 3.37Å; I79-E290 HydrophobicContact CB-CG 4.4Å; I79-E290 HydrophobicContact CG1-CB 4.42Å; I79-E290 HydrophobicContact CG1-CG 3.8Å; I79-E290 WeakPolarHBondContact CG1-OE1 3.23Å; I79-E290 HydrophobicContact CG2-CG 4.08Å; I79-H355 CarbonylContact O-C 3.53Å; I79-H355 WeakPolarHBondContact O-CA 3.27Å; I79-H355 VanDerWaalsContact O-CB 3.25Å; I79-H355 WeakPolarHBondContact O-CB 3.4Å; I79-Y356 HydrophobicContact CB-CD1 4.42Å; I79-Y356 HydrophobicContact CB-CD2 4.14Å; I79-Y356 HydrophobicContact CB-CE1 4.02Å; I79-Y356 HydrophobicContact CB-CE2 3.76Å; I79-Y356 HydrophobicContact CB-CG 4.48Å; I79-Y356 HydrophobicContact CD1-CD2 3.6Å; I79-Y356 HydrophobicContact CD1-CE2 3.27Å; I79-Y356 HydrophobicContact CG1-CD2 4.38Å; I79-Y356 HydrophobicContact CG1-CE2 3.8Å; I79-Y356 HydrophobicContact CG2-CE1 3.89Å; I79-Y356 HydrophobicContact CG2-CE2 4.24Å; I79-Y356 PolarHBondContact N-O 2.47Å; I79-Y356 PolarHBondContact O-N 2.82Å; I79-N358 WeakPolarHBondContact CD1-ND2 3.46Å
80L96.9Very high93.7Very high0 Ų023.1 Ų23.10%014%0.14CC..EExtended strand (participates in β ladder)trans-112.1125.2163.9178.263.7000109.5Y78 K288 S289 I318 F336 H340 H355Y78-L80 HydrophobicContact CE1-CB 4.38Å; L80-K288 WeakPolarHBondContact O-CA 3.36Å; L80-S289 PolarHBondContact N-O 2.89Å; L80-S289 PolarHBondContact O-N 3.18Å; L80-I318 HydrophobicContact CD1-CD1 3.39Å; L80-I318 HydrophobicContact CD1-CG1 3.9Å; L80-F336 HydrophobicContact CB-CB 4.13Å; L80-F336 HydrophobicContact CB-CD2 4.15Å; L80-F336 VanDerWaalsContact CD2-C 3.48Å; L80-F336 HydrophobicContact CD2-CB 3.55Å; L80-F336 HydrophobicContact CG-CB 4.47Å; L80-H340 HydrophobicContact CD2-CB 4.45Å; L80-H355 HydrophobicContact CD1-CB 4.03Å
81E96.8Very high93.6Very high11 Ų1129.1 Ų29.15%0.05117%0.167CC..EExtended strand (participates in β ladder)trans-115.8132.8172.5-77.5-178.8136.900110.3I79 F128 N286 E287 K288 Q353 R354 Y356I79-E81 HydrophobicContact CG2-CG 3.99Å; E81-F128 HydrophobicContact CB-CD1 3.87Å; E81-F128 HydrophobicContact CB-CE1 4.02Å; E81-N286 WeakPolarHBondContact CB-OD1 3.43Å; E81-N286 PolarHBondContact OE1-ND2 3.16Å; E81-E287 CarbonylContact C-O 3.55Å; E81-E287 WeakPolarHBondContact CA-O 3.38Å; E81-K288 HydrophobicContact CG-CB 4.09Å; E81-K288 HydrophobicContact CG-CD 4.44Å; E81-K288 HydrophobicContact CG-CG 3.8Å; E81-Q353 VanDerWaalsContact O-CA 3.31Å; E81-Q353 WeakPolarHBondContact O-CA 3.3Å; E81-R354 HydrophobicContact CB-CG 3.97Å; E81-R354 PolarHBondContact N-O 2.86Å; E81-R354 PolarHBondContact O-N 3.31Å; E81-R354 IonicContact OE1-NH2 2.57Å; E81-R354 IonicContact OE2-CZ 2.73Å; E81-R354 IonicContact OE2-NE 3.17Å; E81-R354 PolarHBondContact OE2-NE 3.42Å; E81-R354 IonicContact OE2-NH2 3.74Å; E81-R354 PolarHBondContact OE2-NH2 3.41Å; E81-Y356 WeakPolarHBondContact OE2-CE1 3.21Å
82S95Very high93.4Very high1 Ų126.6 Ų26.61%0.00716%0.157CC..EExtended strand (participates in β ladder)trans-125.2112.8174.9-65.70000109.8E287 H340 Q353S82-E287 PolarHBondContact N-O 2.85Å; S82-E287 PolarHBondContact O-N 3.25Å; S82-H340 VanDerWaalsContact CB-ND1 3.29Å; S82-H340 WeakPolarHBondContact CB-ND1 3.19Å; S82-H340 PolarHBondContact OG-ND1 3.29Å; S82-Q353 WeakPolarHBondContact OG-CG 3.47Å; S82-Q353 PolarHBondContact OG-NE2 2.84Å
83F95.4Very high93.4Very high0 Ų026.9 Ų26.90%016%0.157CC..EExtended strand (participates in β ladder)trans-86.6115.9175.8-165.3-117.9000109.3P124 L127 F128 V129 F284 K285 N286 I351 R352F83-P124 HydrophobicContact CE1-CB 3.7Å; F83-P124 HydrophobicContact CE1-CG 3.95Å; F83-P124 HydrophobicContact CZ-CB 4Å; F83-L127 HydrophobicContact CD1-CD2 3.83Å; F83-L127 HydrophobicContact CE1-CD2 3.93Å; F83-F128 HydrophobicContact CB-CD1 3.95Å; F83-F128 HydrophobicContact CB-CE1 4.02Å; F83-F128 VanDerWaalsContact CD2-N 3.34Å; F83-V129 WeakPolarHBondContact CE2-O 3.33Å; F83-F284 HydrophobicContact CE1-CB 4.28Å; F83-F284 AromaticContact CE1-CD1 4Å; F83-F284 HydrophobicContact CE1-CD1 4Å; F83-F284 HydrophobicContact CE2-CB 4.02Å; F83-F284 HydrophobicContact CZ-CB 3.58Å; F83-F284 HydrophobicContact CZ-CD1 4.13Å; F83-F284 HydrophobicContact CZ-CG 4.18Å; F83-K285 WeakPolarHBondContact CA-O 2.84Å; F83-N286 HydrophobicContact CD2-CB 4.27Å; F83-I351 HydrophobicContact CD1-CB 4.08Å; F83-I351 HydrophobicContact CD1-CD1 4.16Å; F83-I351 HydrophobicContact CD1-CG2 4.22Å; F83-I351 HydrophobicContact CE1-CD1 4.14Å; F83-I351 PolarHBondContact O-N 2.9Å; F83-R352 WeakPolarHBondContact CA-O 3.15Å; F83-R352 HydrophobicContact CB-CB 4.38Å; F83-R352 WeakPolarHBondContact CB-O 3.19Å; F83-R352 PolarHBondContact N-O 2.93Å; F83-R352 PolarHBondContact O-N 2.77Å
84T93.6Very high93.4Very high10 Ų1027.6 Ų27.66%0.06115%0.154CC..EExtended strand (participates in β ladder)trans-121.5156.8-170.462.80000111.4F284 K285 R349 V350T84-F284 CarbonylContact O-C 3.53Å; T84-F284 VanDerWaalsContact O-CA 3.25Å; T84-F284 WeakPolarHBondContact O-CA 3.24Å; T84-K285 PolarHBondContact N-O 3.37Å; T84-K285 PolarHBondContact O-N 2.64Å; T84-K285 PolarHBondContact OG1-O 3Å; T84-R349 CarbonylContact C-O 3.58Å; T84-R349 VanDerWaalsContact CA-O 3.25Å; T84-R349 WeakPolarHBondContact CA-O 3.26Å; T84-V350 HydrophobicContact CG2-CG2 4.32Å
85E93.2Very high93.5Very high0 Ų026.4 Ų26.40%015%0.15CC..EExtended strand (participates in β ladder)trans-124.2124.8175.7-173.1-173.2160.900110.6R87 W118 V282 Y283 F284 C348 R349 I351E85-R87 IonicContact OE1-CZ 2.75Å; E85-R87 IonicContact OE1-NE 2.9Å; E85-R87 PolarHBondContact OE1-NE 2.92Å; E85-R87 IonicContact OE1-NH2 2.84Å; E85-R87 PolarHBondContact OE1-NH2 2.86Å; E85-W118 HydrophobicContact CG-CZ3 4.26Å; E85-W118 WeakPolarHBondContact O-CH2 3.4Å; E85-V282 HydrophobicContact CG-CG1 3.51Å; E85-V282 WeakPolarHBondContact OE1-CG1 3.1Å; E85-Y283 CarbonylContact C-O 3.49Å; E85-Y283 VanDerWaalsContact CA-O 3.3Å; E85-Y283 WeakPolarHBondContact CA-O 3.33Å; E85-F284 HydrophobicContact CB-CD1 4.3Å; E85-F284 HydrophobicContact CB-CE1 4.33Å; E85-F284 HydrophobicContact CG-CD1 4.24Å; E85-F284 HydrophobicContact CG-CE1 3.95Å; E85-F284 HydrophobicContact CG-CZ 4.49Å; E85-C348 CarbonylContact O-C 3.56Å; E85-C348 VanDerWaalsContact O-CA 3.26Å; E85-C348 WeakPolarHBondContact O-CA 3.29Å; E85-C348 VanDerWaalsContact O-CB 3.23Å; E85-C348 WeakPolarHBondContact O-CB 3.45Å; E85-R349 PolarHBondContact N-O 2.87Å; E85-R349 PolarHBondContact O-N 3.44Å; E85-R349 IonicContact OE1-NH2 3.73Å; E85-R349 IonicContact OE2-CZ 3.72Å; E85-R349 IonicContact OE2-NE 2.69Å; E85-R349 PolarHBondContact OE2-NE 2.7Å; E85-R349 IonicContact OE2-NH2 3.1Å; E85-R349 PolarHBondContact OE2-NH2 3.49Å; E85-I351 HydrophobicContact CB-CD1 3.7Å; E85-I351 HydrophobicContact CB-CG1 4.09Å; E85-I351 HydrophobicContact CG-CD1 4.47Å
86A92.9Very high93.2Very high1 Ų126.6 Ų26.61%0.00815%0.151CC..EExtended strand (participates in β ladder)trans-121152.1170.200000109.6F10 V282 Y283 C348F10-A86 HydrophobicContact CD1-CB 3.69Å; F10-A86 HydrophobicContact CE1-CB 3.83Å; A86-V282 WeakPolarHBondContact O-CA 3.24Å; A86-Y283 PolarHBondContact N-O 3.35Å; A86-Y283 PolarHBondContact O-N 2.89Å; A86-C348 HydrophobicContact CB-CB 3.91Å
87R92.9Very high92.7Very high1 Ų130.8 Ų30.80%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-128.1141.6177.6-61.8-171.1-177.5-164.95.2111.3F10 V11 E85 P117 W118 F120 K281 V282F10-R87 WeakPolarHBondContact CA-O 3.5Å; F10-R87 WeakPolarHBondContact CD1-O 3.24Å; V11-R87 PolarHBondContact N-O 3.2Å; E85-R87 IonicContact OE1-CZ 2.75Å; E85-R87 IonicContact OE1-NE 2.9Å; E85-R87 PolarHBondContact OE1-NE 2.92Å; E85-R87 IonicContact OE1-NH2 2.84Å; E85-R87 PolarHBondContact OE1-NH2 2.86Å; R87-P117 WeakPolarHBondContact CD-O 3.48Å; R87-P117 PolarHBondContact NH1-O 3.25Å; R87-W118 HydrophobicContact CB-CH2 4.15Å; R87-W118 HydrophobicContact CB-CZ2 3.94Å; R87-W118 HydrophobicContact CG-CD2 4.41Å; R87-W118 HydrophobicContact CG-CE3 4.13Å; R87-W118 HydrophobicContact CG-CH2 3.75Å; R87-W118 HydrophobicContact CG-CZ2 4.02Å; R87-W118 HydrophobicContact CG-CZ3 3.79Å; R87-F120 PolarHBondContact NH1-O 2.9Å; R87-F120 PolarHBondContact NH2-O 2.93Å; R87-K281 WeakPolarHBondContact CA-O 3.29Å; R87-V282 HydrophobicContact CG-CB 4.46Å; R87-V282 HydrophobicContact CG-CG1 4.22Å; R87-V282 HydrophobicContact CG-CG2 4.07Å
88S92.4Very high91.7Very high13 Ų1335.2 Ų35.29%0.09119%0.193CC..EExtended strand (participates in β ladder)trans-125.8149.9167.570.50000110K281 Y283S88-K281 PolarHBondContact N-O 2.66Å; S88-K281 PolarHBondContact O-N 2.81Å; S88-Y283 WeakPolarHBondContact OG-CE2 3.47Å; S88-Y283 PolarHBondContact OG-OH 2.65Å
89T91.7Very high90.3Very high60 Ų6039.1 Ų39.137%0.36823%0.225SC..EExtended strand (participates in β ladder)trans-115.3146.3175.446.80000111.3V11 P117 M137 T278 R279 I280V11-T89 HydrophobicContact CG2-CG2 3.9Å; T89-P117 HydrophobicContact CG2-CB 3.94Å; T89-P117 HydrophobicContact CG2-CG 3.44Å; T89-P117 VanDerWaalsContact CG2-CG 3.44Å; T89-M137 HydrophobicContact CG2-CE 4.13Å; T89-T278 HydrophobicContact CG2-CG2 4.09Å; T89-R279 WeakPolarHBondContact CA-O 3.39Å; T89-I280 HydrophobicContact CG2-CG1 4.19Å
90S92.6Very high88.6Confident59 Ų5942.3 Ų42.341%0.41325%0.251SS..EExtended strand (participates in β ladder)trans-146.2144.5172.158.40000109.8R279S90-R279 PolarHBondContact N-O 3.03Å; S90-R279 WeakPolarHBondContact O-CB 3.48Å; S90-R279 PolarHBondContact O-N 3.07Å
91E91.8Very high86.7Confident172 Ų17245.4 Ų45.480%0.80427%0.267SS*.EExtended strand (participates in β ladder)trans-73.6139.3169.8-66.4-173169.700110.7
92A90.9Very high84.5Confident11 Ų1149.9 Ų49.99%0.09130%0.299CS..EExtended strand (participates in β ladder)trans-127144.3174.800000110N276 Y277 R279A92-N276 CarbonylContact O-C 3.57Å; A92-N276 VanDerWaalsContact O-CA 3.3Å; A92-N276 WeakPolarHBondContact O-CA 3.49Å; A92-Y277 HydrophobicContact CB-CD1 4.49Å; A92-Y277 HydrophobicContact CB-CD2 4.1Å; A92-Y277 HydrophobicContact CB-CE1 4.05Å; A92-Y277 HydrophobicContact CB-CE2 3.63Å; A92-Y277 PolarHBondContact N-O 3.31Å; A92-Y277 PolarHBondContact O-N 3.18Å; A92-R279 HydrophobicContact CB-CB 4.45Å
93T91.4Very high82.2Confident89 Ų8958.6 Ų58.655%0.54634%0.34SS..EExtended strand (participates in β ladder)trans-127.1132.5179.7-59.50000109.8V274 R275 N276T93-V274 HydrophobicContact CG2-CB 3.72Å; T93-V274 HydrophobicContact CG2-CG1 4.19Å; T93-V274 HydrophobicContact CG2-CG2 3.96Å; T93-R275 WeakPolarHBondContact CA-O 3.27Å; T93-N276 WeakPolarHBondContact CB-OD1 3.47Å; T93-N276 WeakPolarHBondContact CG2-OD1 3.44Å; T93-N276 PolarHBondContact OG1-OD1 3.41Å
94E91.6Very high79.8Confident74 Ų7461.9 Ų61.935%0.34637%0.367SS..EExtended strand (participates in β ladder)trans-136.4166.2173.967.6-171-167.900111.7A96 V274 R275 Y277E94-A96 PolarHBondContact O-N 3.3Å; E94-V274 CarbonylContact O-C 3.53Å; E94-V274 VanDerWaalsContact O-CA 3.3Å; E94-V274 WeakPolarHBondContact O-CA 3.07Å; E94-V274 WeakPolarHBondContact O-CB 3.46Å; E94-R275 HydrophobicContact CG-CB 4.05Å; E94-R275 PolarHBondContact N-O 2.88Å; E94-R275 PolarHBondContact O-N 3.09Å; E94-R275 IonicContact OE1-CZ 3.89Å; E94-R275 IonicContact OE1-NH1 3.26Å; E94-R275 PolarHBondContact OE1-NH1 3.21Å; E94-Y277 HydrophobicContact CG-CE1 3.93Å; E94-Y277 PolarHBondContact OE2-OH 3.44Å
95A91.5Very high77.4Confident30 Ų3066.1 Ų66.125%0.24840%0.397CS..EExtended strand (participates in β ladder)trans-65133174.900000110.2N97A95-N97 PolarHBondContact O-N 3.3Å
96A87.6Confident74.9Confident4 Ų471.4 Ų71.43%0.03343%0.433CS..  trans-64.2120.118000000110.5E94 F98 S273E94-A96 PolarHBondContact O-N 3.3Å; A96-F98 HydrophobicContact CB-CE2 3.93Å; A96-F98 HydrophobicContact CB-CZ 3.93Å; A96-S273 WeakPolarHBondContact CB-O 2.89Å; A96-S273 PolarHBondContact N-O 3.33Å; A96-S273 VanDerWaalsContact N-O 3.11Å
97N82.5Confident72.3Confident95 Ų9575.7 Ų75.751%0.50846%0.463SS..  trans-102.694.1172.7-174.11.9000110.1A95 A99 A100A95-N97 PolarHBondContact O-N 3.3Å; N97-A99 PolarHBondContact O-N 3.05Å; N97-A99 PolarHBondContact OD1-N 2.9Å; N97-A100 HydrophobicContact CB-CB 4.47Å; N97-A100 PolarHBondContact O-N 3.04Å
98F72.2Confident69.9Low109 Ų10982.2 Ų82.248%0.47850%0.497SS..THydrogen-bonded Turntrans-66.3-18.2-178.5-62.1-78.8000113.9A96 I143A96-F98 HydrophobicContact CB-CE2 3.93Å; A96-F98 HydrophobicContact CB-CZ 3.93Å; F98-I143 HydrophobicContact CD1-CD1 4.26Å; F98-I143 HydrophobicContact CE1-CD1 3.74Å
99A66.8Low67.5Low82 Ų8288 Ų8868%0.67853%0.532SS*.THydrogen-bonded Turntrans-77.3-28.7177.600000113N97N97-A99 PolarHBondContact O-N 3.05Å; N97-A99 PolarHBondContact OD1-N 2.9Å
100A60.1Low65Low66 Ų6688.5 Ų88.555%0.54555%0.549SS..THydrogen-bonded Turntrans-86.8-8.6178.600000113.1N97N97-A100 HydrophobicContact CB-CB 4.47Å; N97-A100 PolarHBondContact O-N 3.04Å
101M56.7Low62.6Low66 Ų6688.8 Ų88.833%0.32556%0.561SS.*G310 helixtrans-93.4-8.1-172.8-86.4-176.156.400114.9E103 A104 I143M101-E103 PolarHBondContact O-N 3.21Å; M101-E103 VanDerWaalsContact O-N 3.16Å; M101-A104 PolarHBondContact O-N 3.36Å; M101-I143 HydrophobicContact CE-CD1 3.14Å; M101-I143 HydrophobicContact CE-CG1 3.76Å; M101-I143 HydrophobicContact SD-CD1 3.53Å; M101-I143 VanDerWaalsContact SD-CD1 3.53Å; M101-I143 HydrophobicContact SD-CG1 3.81Å
102S50.8Low60.4Low105 Ų10587.5 Ų87.573%0.73457%0.571SS**G310 helixtrans-68.5-7.7176.266.90000113.7
103E47.9Very low58.8Low183 Ų18389.5 Ų89.586%0.85559%0.593SS**G310 helixtrans-107.9-6.7179.8-66.3-171.3164.700114.2M101M101-E103 PolarHBondContact O-N 3.21Å; M101-E103 VanDerWaalsContact O-N 3.16Å
104A45Very low57.7Low69 Ų6990.4 Ų90.457%0.5761%0.609SS**  trans-122.330.8-17000000114.6M101 C106M101-A104 PolarHBondContact O-N 3.36Å; A104-C106 PolarHBondContact O-N 3.02Å
105S42.4Very low57.1Low100 Ų10091 Ų9170%0.69961%0.614SS**  trans-76.471.9164.165.80000110.1S107S105-S107 PolarHBondContact O-N 3.38Å
106C40.2Very low56.8Low110 Ų11091.5 Ų91.574%0.74362%0.616SS**  trans-76.276.6154.8-53.10000106.9A104 L108A104-C106 PolarHBondContact O-N 3.02Å; C106-L108 VanDerWaalsContact C-N 3.28Å; C106-L108 PolarHBondContact O-N 2.81Å
107S38.9Very low56.7Low92 Ų9292.2 Ų92.264%0.64362%0.62SS**  trans-60.697160.6-61.70000107.1S105 T109S105-S107 PolarHBondContact O-N 3.38Å; S107-T109 PolarHBondContact O-N 2.85Å
108L43Very low56.9Low137 Ų13789.6 Ų89.672%0.71760%0.604SS**  trans-73.576.1161.9-79.9164.4000107.7C106 G110C106-L108 VanDerWaalsContact C-N 3.28Å; C106-L108 PolarHBondContact O-N 2.81Å; L108-G110 PolarHBondContact O-N 2.72Å
109T41.8Very low57.6Low136 Ų13689.2 Ų89.283%0.83461%0.607SS**  trans-69.997.4152.645.50000107.3S107S107-T109 PolarHBondContact O-N 2.85Å
110G39.8Very low58.4Low69 Ų6987.2 Ų87.271%0.71158%0.582SS**SBendtrans118.191167.300000114.3L108L108-G110 PolarHBondContact O-N 2.72Å
111G41.7Very low59.6Low66 Ų6691.7 Ų91.768%0.6859%0.592SS**  trans154.880.8169.200000112.1G113G111-G113 PolarHBondContact O-N 3.27Å
112S46.2Very low61.1Low144 Ų14489.3 Ų89.3100%1.00758%0.581SS**  trans-71.459.1174.1-54.10000112
113G56.6Low62.9Low53 Ų5390 Ų9055%0.54657%0.574SS.*  trans-132.1122.5171.700000109.4G111 L115G111-G113 PolarHBondContact O-N 3.27Å; G113-L115 PolarHBondContact O-N 2.91Å
114A68.1Low65Low108 Ų10882.4 Ų82.489%0.89354%0.541SS*.PPolyproline II helixtrans-63.6116.1170.200000108.5S116A114-S116 PolarHBondContact O-N 3.4Å
115L79.4Confident67.2Low86 Ų8681 Ų8145%0.4553%0.533SS..PPolyproline II helixtrans-62.6131.2176.8-64.3174.7000109.5G113 F120G113-L115 PolarHBondContact O-N 2.91Å; L115-F120 HydrophobicContact CB-CZ 4.2Å; L115-F120 HydrophobicContact CD1-CZ 3.98Å
116S84.6Confident69.6Low41 Ų4182.9 Ų82.929%0.28753%0.531SS..PPolyproline II helixtrans-79.6144.9174.9175.80000110A114 W118 D119 F120A114-S116 PolarHBondContact O-N 3.4Å; S116-W118 PolarHBondContact O-N 2.87Å; S116-W118 PolarHBondContact OG-N 3.13Å; S116-D119 WeakPolarHBondContact CB-OD2 3.25Å; S116-D119 PolarHBondContact N-OD2 3.4Å; S116-D119 WeakPolarHBondContact O-CB 3.36Å; S116-D119 PolarHBondContact O-N 2.84Å; S116-F120 WeakPolarHBondContact O-CE2 3.3Å
117P86.8Confident72.1Confident19 Ų1980.8 Ų80.812%0.12351%0.512CS..THydrogen-bonded Turntrans-55.7-20.5171.2-26.335.9000113.6V11 R87 T89 M137 I280V11-P117 HydrophobicContact CG1-CB 4.47Å; V11-P117 HydrophobicContact CG1-CG 4.06Å; V11-P117 HydrophobicContact CG2-CB 4.4Å; V11-P117 HydrophobicContact CG2-CG 4.07Å; R87-P117 WeakPolarHBondContact CD-O 3.48Å; R87-P117 PolarHBondContact NH1-O 3.25Å; T89-P117 HydrophobicContact CG2-CB 3.94Å; T89-P117 HydrophobicContact CG2-CG 3.44Å; T89-P117 VanDerWaalsContact CG2-CG 3.44Å; P117-M137 HydrophobicContact CB-CE 4.41Å; P117-M137 HydrophobicContact CG-CE 3.91Å; P117-I280 HydrophobicContact CB-CD1 4.18Å; P117-I280 HydrophobicContact CB-CG1 4.39Å
118W86.8Confident74.8Confident41 Ų4177.1 Ų77.116%0.15548%0.484CS..THydrogen-bonded Turntrans-87.5-8.6179.2-65.2104.3000114.4V11 I13 E85 R87 S116 F120 R349V11-W118 PolarHBondContact O-NE1 3.05Å; I13-W118 HydrophobicContact CD1-CH2 3.88Å; I13-W118 HydrophobicContact CD1-CZ2 3.83Å; I13-W118 HydrophobicContact CD1-CZ3 4.48Å; I13-W118 HydrophobicContact CG1-CD2 4.39Å; I13-W118 HydrophobicContact CG1-CH2 4.06Å; I13-W118 HydrophobicContact CG1-CZ2 3.49Å; I13-W118 VanDerWaalsContact CG1-CZ2 3.49Å; E85-W118 HydrophobicContact CG-CZ3 4.26Å; E85-W118 WeakPolarHBondContact O-CH2 3.4Å; R87-W118 HydrophobicContact CB-CH2 4.15Å; R87-W118 HydrophobicContact CB-CZ2 3.94Å; R87-W118 HydrophobicContact CG-CD2 4.41Å; R87-W118 HydrophobicContact CG-CE3 4.13Å; R87-W118 HydrophobicContact CG-CH2 3.75Å; R87-W118 HydrophobicContact CG-CZ2 4.02Å; R87-W118 HydrophobicContact CG-CZ3 3.79Å; S116-W118 PolarHBondContact O-N 2.87Å; S116-W118 PolarHBondContact OG-N 3.13Å; W118-F120 PolarHBondContact O-N 2.78Å; W118-R349 HydrophobicContact CZ3-CB 4.42Å
119D86.1Confident77.2Confident101 Ų10174.3 Ų74.354%0.5447%0.472SS..SBendtrans-71.9-13-179.8-64.7-21.2000112.8S116S116-D119 WeakPolarHBondContact CB-OD2 3.25Å; S116-D119 PolarHBondContact N-OD2 3.4Å; S116-D119 WeakPolarHBondContact O-CB 3.36Å; S116-D119 PolarHBondContact O-N 2.84Å
120F84Confident79.8Confident39 Ų3972.5 Ų72.517%0.17146%0.458CS..SBendtrans-99.9123.1-178.5-51.1-76.5000110.5R87 L115 S116 W118 F135 M137 P138 I280R87-F120 PolarHBondContact NH1-O 2.9Å; R87-F120 PolarHBondContact NH2-O 2.93Å; L115-F120 HydrophobicContact CB-CZ 4.2Å; L115-F120 HydrophobicContact CD1-CZ 3.98Å; S116-F120 WeakPolarHBondContact O-CE2 3.3Å; W118-F120 PolarHBondContact O-N 2.78Å; F120-F135 HydrophobicContact CB-CE2 4.33Å; F120-F135 HydrophobicContact CB-CZ 4.22Å; F120-F135 HydrophobicContact CG-CE2 4.42Å; F120-M137 HydrophobicContact CE2-CG 3.75Å; F120-M137 HydrophobicContact CZ-CG 4.02Å; F120-P138 HydrophobicContact CD1-CG 4.01Å; F120-P138 HydrophobicContact CE1-CB 3.99Å; F120-P138 HydrophobicContact CE1-CG 3.65Å; F120-P138 HydrophobicContact CZ-CB 4.45Å; F120-P138 HydrophobicContact CZ-CG 4.26Å; F120-I280 HydrophobicContact CD2-CD1 3.96Å; F120-I280 HydrophobicContact CE2-CD1 4.22Å
121E85.1Confident82.4Confident161 Ų16171.1 Ų71.175%0.75243%0.433SS*.  trans-76.1131.4173.2-168.9167.8-164.200110.8M123E121-M123 HydrophobicContact CG-SD 4.27Å
122V88.2Confident85Confident16 Ų1671.7 Ų71.710%0.09742%0.423CS..  trans-129.8112.6179.4-177.60000107.6R133 F135 V282 F284V122-R133 HydrophobicContact CG1-CB 4.43Å; V122-F135 HydrophobicContact CG2-CD1 4.48Å; V122-F135 HydrophobicContact CG2-CE1 3.6Å; V122-F135 HydrophobicContact CG2-CZ 3.81Å; V122-V282 HydrophobicContact CB-CG2 4.39Å; V122-V282 HydrophobicContact CG1-CG2 4.29Å; V122-V282 HydrophobicContact CG2-CG2 4.15Å; V122-F284 HydrophobicContact CB-CZ 4.35Å; V122-F284 HydrophobicContact CG1-CE2 4.14Å; V122-F284 HydrophobicContact CG1-CZ 3.94Å; V122-F284 WeakPolarHBondContact O-CZ 3.28Å
123M88.5Confident87.2Confident118 Ų11869.6 Ų69.658%0.58139%0.393SS*.  trans-82.4135.9-178-65.6-57.6-72.900111.3E121 R133E121-M123 HydrophobicContact CG-SD 4.27Å; M123-R133 PolarHBondContact O-NE 2.97Å; M123-R133 PolarHBondContact O-NH1 3.23Å; M123-R133 PolarHBondContact O-NH2 2.57Å; M123-R133 VanDerWaalsContact O-NH2 3.12Å
124P92.3Very high89Confident25 Ų2571 Ų7116%0.16239%0.391CS..  trans-63.9153.317027-34.1000111.6F83 L127 F284F83-P124 HydrophobicContact CE1-CB 3.7Å; F83-P124 HydrophobicContact CE1-CG 3.95Å; F83-P124 HydrophobicContact CZ-CB 4Å; P124-L127 HydrophobicContact CG-CD2 3.96Å; P124-F284 HydrophobicContact CB-CD1 4.03Å; P124-F284 HydrophobicContact CB-CE1 4.03Å; P124-F284 HydrophobicContact CB-CG 4.41Å; P124-F284 HydrophobicContact CB-CZ 4.41Å; P124-F284 HydrophobicContact CG-CE1 4.41Å
125G90.4Very high90.1Very high39 Ų3968.4 Ų68.440%0.40236%0.36SS..SBendtrans-75.6-45.7172.700000111.9Q131G125-Q131 VanDerWaalsContact N-NE2 3.17Å
126H92.8Very high90.7Very high139 Ų13967.3 Ų67.364%0.64435%0.352SS*.SBendtrans-134.4146.3172.2-59.7-73.3000109.8V129 Q131H126-V129 HydrophobicContact CB-CB 4.29Å; H126-V129 HydrophobicContact CB-CG2 4.16Å; H126-Q131 PolarHBondContact O-NE2 2.85Å
127L93.7Very high90.9Very high67 Ų6766.3 Ų66.335%0.35134%0.343SS..THydrogen-bonded Turntrans-78.2148.2172.6-66.4173.9000110.1F83 P124 V129 I351 R352F83-L127 HydrophobicContact CD1-CD2 3.83Å; F83-L127 HydrophobicContact CE1-CD2 3.93Å; P124-L127 HydrophobicContact CG-CD2 3.96Å; L127-V129 PolarHBondContact O-N 3.32Å; L127-I351 HydrophobicContact CD2-CG2 4.34Å; L127-R352 HydrophobicContact CD2-CB 4.42Å
128F94.3Very high90.9Very high14 Ų1468.6 Ų68.66%0.06136%0.358CS..THydrogen-bonded Turntrans60.522.1179.5-52.9-76.7000115.3E81 F83 N286 E314 R352 R354E81-F128 HydrophobicContact CB-CD1 3.87Å; E81-F128 HydrophobicContact CB-CE1 4.02Å; F83-F128 HydrophobicContact CB-CD1 3.95Å; F83-F128 HydrophobicContact CB-CE1 4.02Å; F83-F128 VanDerWaalsContact CD2-N 3.34Å; F128-N286 PolarHBondContact O-ND2 2.87Å; F128-E314 HydrophobicContact CE2-CG 4.33Å; F128-E314 HydrophobicContact CZ-CG 4.32Å; F128-R352 HydrophobicContact CE2-CG 4.07Å; F128-R352 HydrophobicContact CZ-CB 4.18Å; F128-R352 HydrophobicContact CZ-CG 3.73Å; F128-R354 HydrophobicContact CD1-CG 4.21Å; F128-R354 HydrophobicContact CE1-CB 4.19Å; F128-R354 HydrophobicContact CE1-CG 3.59Å; F128-R354 HydrophobicContact CE2-CB 4.36Å; F128-R354 HydrophobicContact CE2-CG 4.02Å; F128-R354 HydrophobicContact CZ-CB 3.71Å; F128-R354 HydrophobicContact CZ-CG 3.47Å; F128-R354 VanDerWaalsContact CZ-CG 3.47Å
129V94.6Very high90.6Very high78 Ų7869.7 Ų69.747%0.47338%0.382SS..SBendtrans-125.2126.2174.7-179.30000109.5F83 H126 L127 Q131F83-V129 WeakPolarHBondContact CE2-O 3.33Å; H126-V129 HydrophobicContact CB-CB 4.29Å; H126-V129 HydrophobicContact CB-CG2 4.16Å; L127-V129 PolarHBondContact O-N 3.32Å; V129-Q131 PolarHBondContact O-N 2.98Å
130D95.9Very high90.7Very high98 Ų9865.8 Ų65.852%0.52436%0.362SS..  trans-59.5127.5177.7-78.213.1000111F284 K285 N286D130-F284 WeakPolarHBondContact CA-O 3.33Å; D130-K285 WeakPolarHBondContact OD1-CA 3.35Å; D130-N286 PolarHBondContact OD1-N 2.67Å
131Q94.6Very high90.9Very high40 Ų4065.7 Ų65.719%0.18737%0.367CS..EExtended strand (participates in β ladder)trans-155.1153.9-179.860.2-171.3-19.200111G125 H126 V129 F284G125-Q131 VanDerWaalsContact N-NE2 3.17Å; H126-Q131 PolarHBondContact O-NE2 2.85Å; V129-Q131 PolarHBondContact O-N 2.98Å; Q131-F284 HydrophobicContact CG-CB 3.56Å; Q131-F284 HydrophobicContact CG-CD2 3.69Å; Q131-F284 HydrophobicContact CG-CG 3.92Å; Q131-F284 PolarHBondContact N-O 2.76Å; Q131-F284 PolarHBondContact O-N 2.81Å
132V95.6Very high91.1Very high79 Ų7963.9 Ų63.948%0.47936%0.358SS..EExtended strand (participates in β ladder)trans-127.3130.8179.9179.60000108.7V134 K281 V282 Y283V132-V134 HydrophobicContact CG1-CG2 4.47Å; V132-K281 HydrophobicContact CG1-CD 4.16Å; V132-K281 VanDerWaalsContact CG1-CE 3.42Å; V132-K281 HydrophobicContact CG1-CG 3.71Å; V132-V282 WeakPolarHBondContact CA-O 3.23Å; V132-Y283 HydrophobicContact CG1-CD1 4.35Å; V132-Y283 HydrophobicContact CG1-CE1 4.39Å; V132-Y283 HydrophobicContact CG2-CD1 3.88Å; V132-Y283 HydrophobicContact CG2-CE1 4.4Å
133R93.7Very high91.2Very high100 Ų10066.3 Ų66.338%0.37737%0.37SS..EExtended strand (participates in β ladder)trans-117.4142.3173.7-66.5-168.1178-163.54.8110.2V122 M123 K281 V282 F284V122-R133 HydrophobicContact CG1-CB 4.43Å; M123-R133 PolarHBondContact O-NE 2.97Å; M123-R133 PolarHBondContact O-NH1 3.23Å; M123-R133 PolarHBondContact O-NH2 2.57Å; M123-R133 VanDerWaalsContact O-NH2 3.12Å; R133-K281 CarbonylContact O-C 3.42Å; R133-K281 WeakPolarHBondContact O-CA 3.32Å; R133-V282 PolarHBondContact N-O 3.3Å; R133-V282 PolarHBondContact O-N 2.73Å; R133-F284 HydrophobicContact CG-CE2 4.22Å
134V93.8Very high91.3Very high81 Ų8163.2 Ų63.249%0.49136%0.356SS..EExtended strand (participates in β ladder)trans-129.1130.3-179.9-178.10000108.1V132 R279 I280 K281V132-V134 HydrophobicContact CG1-CG2 4.47Å; V134-R279 HydrophobicContact CG1-CG 3.51Å; V134-I280 WeakPolarHBondContact CA-O 3.37Å; V134-K281 HydrophobicContact CG2-CB 4.4Å; V134-K281 HydrophobicContact CG2-CD 4.08Å; V134-K281 HydrophobicContact CG2-CG 3.9Å
135F91.3Very high91.3Very high55 Ų5566.1 Ų66.124%0.24137%0.374CS..EExtended strand (participates in β ladder)trans-147.7159.1175.166.2-78.1000111.2F120 V122 I280 V282F120-F135 HydrophobicContact CB-CE2 4.33Å; F120-F135 HydrophobicContact CB-CZ 4.22Å; F120-F135 HydrophobicContact CG-CE2 4.42Å; V122-F135 HydrophobicContact CG2-CD1 4.48Å; V122-F135 HydrophobicContact CG2-CE1 3.6Å; V122-F135 HydrophobicContact CG2-CZ 3.81Å; F135-I280 HydrophobicContact CD1-CB 4.26Å; F135-I280 HydrophobicContact CD1-CG2 4.44Å; F135-I280 HydrophobicContact CE1-CB 3.8Å; F135-I280 HydrophobicContact CE1-CD1 4.48Å; F135-I280 HydrophobicContact CE1-CG2 3.63Å; F135-I280 HydrophobicContact CE2-CB 4.29Å; F135-I280 HydrophobicContact CE2-CD1 3.74Å; F135-I280 HydrophobicContact CZ-CB 3.82Å; F135-I280 HydrophobicContact CZ-CD1 3.64Å; F135-I280 HydrophobicContact CZ-CG1 4.33Å; F135-I280 HydrophobicContact CZ-CG2 3.8Å; F135-I280 PolarHBondContact N-O 3.17Å; F135-I280 PolarHBondContact O-N 3.19Å; F135-V282 HydrophobicContact CD1-CG2 4.45Å; F135-V282 HydrophobicContact CE1-CG2 3.7Å
136E91.1Very high91.5Very high62 Ų6264.4 Ų64.429%0.2936%0.356SS..EExtended strand (participates in β ladder)trans-75.2131.5170175.7-179.5159.500109.3P138 S141 R275 Y277E136-P138 VanDerWaalsContact O-CD 3.27Å; E136-P138 WeakPolarHBondContact O-CD 3.4Å; E136-S141 WeakPolarHBondContact OE1-CB 3.49Å; E136-R275 IonicContact OE1-CZ 2.63Å; E136-R275 IonicContact OE1-NH2 2.78Å; E136-R275 PolarHBondContact OE1-NH2 3.32Å; E136-R275 IonicContact OE2-CZ 2.68Å; E136-R275 IonicContact OE2-NH1 3.92Å; E136-R275 PolarHBondContact OE2-NH1 3Å; E136-R275 IonicContact OE2-NH2 2.91Å; E136-R275 PolarHBondContact OE2-NH2 2.94Å; E136-Y277 HydrophobicContact CB-CD2 4.05Å; E136-Y277 HydrophobicContact CB-CE2 4.36Å; E136-Y277 HydrophobicContact CG-CD2 3.66Å; E136-Y277 HydrophobicContact CG-CE2 4.42Å; E136-Y277 HydrophobicContact CG-CG 4.05Å
137M89Confident91.5Very high20 Ų2062.8 Ų62.810%0.09936%0.361CS..PPolyproline II helixtrans-64.1119.3173.4-176.5-174-6300109.6T89 P117 F120 G139 S140 T278 I280T89-M137 HydrophobicContact CG2-CE 4.13Å; P117-M137 HydrophobicContact CB-CE 4.41Å; P117-M137 HydrophobicContact CG-CE 3.91Å; F120-M137 HydrophobicContact CE2-CG 3.75Å; F120-M137 HydrophobicContact CZ-CG 4.02Å; M137-G139 PolarHBondContact O-N 2.87Å; M137-S140 VanDerWaalsContact O-CB 3.28Å; M137-S140 WeakPolarHBondContact O-CB 3.4Å; M137-S140 PolarHBondContact O-N 3.33Å; M137-S140 VanDerWaalsContact O-N 3.08Å; M137-S140 PolarHBondContact O-OG 2.9Å; M137-T278 WeakPolarHBondContact CB-O 3.18Å; M137-T278 HydrophobicContact CE-CG2 3.46Å; M137-T278 VanDerWaalsContact CE-CG2 3.46Å; M137-T278 PolarHBondContact N-O 2.88Å; M137-T278 HydrophobicContact SD-CG2 4.33Å; M137-I280 HydrophobicContact CB-CD1 3.76Å; M137-I280 HydrophobicContact CB-CG1 4.07Å; M137-I280 HydrophobicContact CE-CD1 3.71Å; M137-I280 HydrophobicContact CE-CG1 3.79Å; M137-I280 HydrophobicContact CG-CD1 3.87Å
138P86.7Confident91.4Very high68 Ų6862.2 Ų62.244%0.44237%0.366SS..THydrogen-bonded Turntrans-53.5133.1178.9-27.935.8000112.2F120 E136 S140F120-P138 HydrophobicContact CD1-CG 4.01Å; F120-P138 HydrophobicContact CE1-CB 3.99Å; F120-P138 HydrophobicContact CE1-CG 3.65Å; F120-P138 HydrophobicContact CZ-CB 4.45Å; F120-P138 HydrophobicContact CZ-CG 4.26Å; E136-P138 VanDerWaalsContact O-CD 3.27Å; E136-P138 WeakPolarHBondContact O-CD 3.4Å; P138-S140 PolarHBondContact O-N 3.45Å
139G81.1Confident91.4Very high63 Ų6362.1 Ų62.165%0.64937%0.366SS*.THydrogen-bonded Turntrans75.60.1179.900000115.6M137M137-G139 PolarHBondContact O-N 2.87Å
140S87.9Confident91.3Very high19 Ų1965.1 Ų65.113%0.13338%0.38CS..  trans-82.3-12.6178.270.90000114.4M137 P138 T278M137-S140 VanDerWaalsContact O-CB 3.28Å; M137-S140 WeakPolarHBondContact O-CB 3.4Å; M137-S140 PolarHBondContact O-N 3.33Å; M137-S140 VanDerWaalsContact O-N 3.08Å; M137-S140 PolarHBondContact O-OG 2.9Å; P138-S140 PolarHBondContact O-N 3.45Å; S140-T278 PolarHBondContact OG-N 3.22Å
141S88.3Confident91.2Very high38 Ų3863.4 Ų63.427%0.26638%0.376SS..  trans-72.8127.5-176.1155.70000112.8E136 R275 N276E136-S141 WeakPolarHBondContact OE1-CB 3.49Å; S141-R275 PolarHBondContact OG-NE 3.27Å; S141-R275 PolarHBondContact OG-NH2 2.78Å; S141-N276 CarbonylContact C-O 3.56Å; S141-N276 WeakPolarHBondContact CA-O 3.32Å
142Q88.6Confident91.1Very high123 Ų12365.7 Ų65.758%0.57539%0.389SS*.EExtended strand (participates in β ladder)trans-133.9136.2176.3-62.7180-1.500110.6R275 N276Q142-R275 WeakPolarHBondContact O-CA 3.45Å; Q142-N276 PolarHBondContact N-O 3.06Å; Q142-N276 PolarHBondContact O-N 2.81Å
143I90.4Very high90.9Very high67 Ų6762 Ų6234%0.34437%0.368SS..EExtended strand (participates in β ladder)trans-83.6126.3168.4-61.4166.8000108.5F98 M101 V274F98-I143 HydrophobicContact CD1-CD1 4.26Å; F98-I143 HydrophobicContact CE1-CD1 3.74Å; M101-I143 HydrophobicContact CE-CD1 3.14Å; M101-I143 HydrophobicContact CE-CG1 3.76Å; M101-I143 HydrophobicContact SD-CD1 3.53Å; M101-I143 VanDerWaalsContact SD-CD1 3.53Å; M101-I143 HydrophobicContact SD-CG1 3.81Å; I143-V274 WeakPolarHBondContact CA-O 3.31Å
144N90.4Very high90.9Very high52 Ų5259.3 Ų59.328%0.27836%0.362SS..EExtended strand (participates in β ladder)trans-120.9153175.3-70.4-52.4000111.2C146 S273 V274 N276N144-C146 PolarHBondContact O-N 2.79Å; N144-S273 WeakPolarHBondContact O-CA 3.17Å; N144-V274 HydrophobicContact CB-CG2 4.4Å; N144-V274 PolarHBondContact N-O 3.33Å; N144-V274 PolarHBondContact O-N 3.05Å; N144-N276 PolarHBondContact ND2-ND2 2.89Å; N144-N276 VanDerWaalsContact ND2-ND2 3.14Å
145P93.3Very high90.9Very high86 Ų8657 Ų5756%0.55835%0.347SS*.EExtended strand (participates in β ladder)trans-59.5137.817125.5-33.8000110.3S147 S151P145-S147 PolarHBondContact O-N 3.09Å; P145-S147 VanDerWaalsContact O-N 3.13Å; P145-S151 WeakPolarHBondContact CB-OG 3.48Å
146C94.4Very high90.8Very high3 Ų359.1 Ų59.12%0.0236%0.357CS..  trans-72.6109.8177.3-176.30000109.9N144 A148 C149 N150 S151 C268 G272 V274N144-C146 PolarHBondContact O-N 2.79Å; C146-A148 VanDerWaalsContact C-N 3.29Å; C146-A148 PolarHBondContact O-N 3.28Å; C146-C149 PolarHBondContact O-N 3.39Å; C146-C149 VanDerWaalsContact SG-SG 3.67Å; C146-N150 WeakPolarHBondContact O-CA 3.48Å; C146-N150 PolarHBondContact O-N 3.49Å; C146-S151 PolarHBondContact O-N 2.95Å; C146-C268 HydrophobicContact CB-CB 3.84Å; C146-G272 WeakPolarHBondContact CB-O 2.98Å; C146-G272 PolarHBondContact N-O 2.9Å; C146-V274 HydrophobicContact CB-CG1 4.05Å
147S92.9Very high90.6Very high105 Ų10556.2 Ų56.273%0.73434%0.343SS*.THydrogen-bonded Turntrans-64.9-31177.556.90000113P145 C149 N150P145-S147 PolarHBondContact O-N 3.09Å; P145-S147 VanDerWaalsContact O-N 3.13Å; S147-C149 VanDerWaalsContact C-N 3.27Å; S147-C149 PolarHBondContact O-N 2.88Å; S147-N150 PolarHBondContact O-N 2.88Å; S147-N150 PolarHBondContact O-OD1 3.31Å
148A91.9Very high90.5Very high56 Ų5662.3 Ų62.346%0.46337%0.37SS..THydrogen-bonded Turntrans-65.1-28.5-179.400000113.6C146C146-A148 VanDerWaalsContact C-N 3.29Å; C146-A148 PolarHBondContact O-N 3.28Å
149C93.4Very high90.3Very high11 Ų1164.5 Ų64.57%0.07437%0.374CS..THydrogen-bonded Turntrans-122.310.4177.467.30000113.6C146 S147 S151 D152 G153 I155 C265C146-C149 PolarHBondContact O-N 3.39Å; C146-C149 VanDerWaalsContact SG-SG 3.67Å; S147-C149 VanDerWaalsContact C-N 3.27Å; S147-C149 PolarHBondContact O-N 2.88Å; C149-S151 PolarHBondContact O-N 3.31Å; C149-D152 VanDerWaalsContact O-CB 3.23Å; C149-D152 WeakPolarHBondContact O-CB 3.48Å; C149-D152 PolarHBondContact O-N 3.1Å; C149-G153 PolarHBondContact SG-N 2.81Å; C149-I155 HydrophobicContact CB-CG2 3.88Å; C149-C265 HydrophobicContact CB-CB 3.84Å
150N93.3Very high90.3Very high142 Ų14261.8 Ų61.876%0.75935%0.345SS*.THydrogen-bonded Turntrans46.546.1-173.1-62.2-38.1000112.8C146 S147 D152C146-N150 WeakPolarHBondContact O-CA 3.48Å; C146-N150 PolarHBondContact O-N 3.49Å; S147-N150 PolarHBondContact O-N 2.88Å; S147-N150 PolarHBondContact O-OD1 3.31Å; N150-D152 PolarHBondContact O-N 2.86Å; N150-D152 VanDerWaalsContact O-N 3.13Å
151S92.6Very high90Very high62 Ų6264.4 Ų64.443%0.43435%0.352SS..THydrogen-bonded Turntrans64.37.2-177.5-47.30000117.3P145 C146 C149 G153 G272P145-S151 WeakPolarHBondContact CB-OG 3.48Å; C146-S151 PolarHBondContact O-N 2.95Å; C149-S151 PolarHBondContact O-N 3.31Å; S151-G153 PolarHBondContact O-N 3.02Å; S151-G272 WeakPolarHBondContact CA-O 3.4Å
152D92.9Very high89.6Confident88 Ų8864 Ų6447%0.47135%0.354SS..  trans-72-18.3178.1-169.350.1000113C149 N150 T154 K262C149-D152 VanDerWaalsContact O-CB 3.23Å; C149-D152 WeakPolarHBondContact O-CB 3.48Å; C149-D152 PolarHBondContact O-N 3.1Å; N150-D152 PolarHBondContact O-N 2.86Å; N150-D152 VanDerWaalsContact O-N 3.13Å; D152-T154 PolarHBondContact O-N 2.91Å; D152-T154 PolarHBondContact OD2-OG1 3.48Å; D152-K262 IonicContact OD1-NZ 2.87Å; D152-K262 IonicContact OD2-NZ 3.2Å; D152-K262 PolarHBondContact OD2-NZ 2.77Å
153G92.7Very high89.2Confident2 Ų262 Ų622%0.02134%0.342CS..SBendtrans69.7-13.3-172.600000113.9C149 S151 C265 G270C149-G153 PolarHBondContact SG-N 2.81Å; S151-G153 PolarHBondContact O-N 3.02Å; G153-C265 VanDerWaalsContact O-CB 3.29Å; G153-C265 WeakPolarHBondContact O-CB 3.37Å; G153-C265 PolarHBondContact O-N 3.3Å; G153-G270 WeakPolarHBondContact CA-O 3.23Å; G153-G270 VanDerWaalsContact O-CA 3.23Å; G153-G270 WeakPolarHBondContact O-CA 3.42Å
154T93.6Very high88.9Confident42 Ų4258.9 Ų58.926%0.25833%0.326SS..EExtended strand (participates in β ladder)trans-121.7150.7177.278.10000111.7D152 K262 K263D152-T154 PolarHBondContact O-N 2.91Å; D152-T154 PolarHBondContact OD2-OG1 3.48Å; T154-K262 WeakPolarHBondContact OG1-CD 3.25Å; T154-K262 PolarHBondContact OG1-NZ 3.03Å; T154-K263 CarbonylContact C-O 3.52Å; T154-K263 WeakPolarHBondContact CA-O 3.3Å; T154-K263 WeakPolarHBondContact CB-O 3.25Å
155I92Very high88.5Confident34 Ų3457.6 Ų57.617%0.17432%0.32CS..EExtended strand (participates in β ladder)trans-119.2150.317058.9176000108.7C149 F158 K262 K263 C265C149-I155 HydrophobicContact CB-CG2 3.88Å; I155-F158 HydrophobicContact CD1-CE2 3.99Å; I155-K262 CarbonylContact O-C 3.57Å; I155-K262 WeakPolarHBondContact O-CA 3.32Å; I155-K263 PolarHBondContact N-O 2.84Å; I155-K263 PolarHBondContact O-N 2.9Å; I155-C265 HydrophobicContact CG2-CB 4.05Å
156H89.7Confident88Confident98 Ų9855.9 Ų55.945%0.45431%0.306SS..EExtended strand (participates in β ladder)trans-62.1143.3174.167-85.7000109.5F158H156-F158 AromaticContact NE2-CD1 3.89Å; H156-F158 AromaticContact NE2-CE1 3.91Å; H156-F158 PolarHBondContact O-N 3.23Å
157C87.7Confident87.4Confident1 Ų160 Ų601%0.00732%0.323CS..  trans-67120.2175.4177.60000109.1H159 C160 R161 G162 C257 G261 K263C157-H159 VanDerWaalsContact C-N 3.26Å; C157-H159 PolarHBondContact O-N 3.23Å; C157-C160 VanDerWaalsContact CB-SG 3.54Å; C157-R161 WeakPolarHBondContact O-CA 3.2Å; C157-R161 PolarHBondContact O-N 2.68Å; C157-G162 PolarHBondContact O-N 2.89Å; C157-C257 HydrophobicContact CB-CB 3.76Å; C157-G261 WeakPolarHBondContact CB-O 3.33Å; C157-G261 PolarHBondContact N-O 3.04Å; C157-K263 HydrophobicContact CB-CG 4.27Å
158F85.7Confident87Confident148 Ų14855 Ų5565%0.64929%0.288SS*.THydrogen-bonded Turntrans-60.7-32.4179.7-70.1-73.8000113.6I155 H156I155-F158 HydrophobicContact CD1-CE2 3.99Å; H156-F158 AromaticContact NE2-CD1 3.89Å; H156-F158 AromaticContact NE2-CE1 3.91Å; H156-F158 PolarHBondContact O-N 3.23Å
159H83.7Confident86.6Confident115 Ų11557.1 Ų57.153%0.53230%0.3SS..THydrogen-bonded Turntrans-68.5-49.4-178.9-65.7-83.9000112.5C157 H256C157-H159 VanDerWaalsContact C-N 3.26Å; C157-H159 PolarHBondContact O-N 3.23Å; H159-H256 HydrophobicContact CB-CB 4.27Å; H159-H256 AromaticContact CD2-CD2 3.57Å; H159-H256 AromaticContact CD2-CG 3.36Å; H159-H256 AromaticContact CD2-ND1 3.69Å; H159-H256 AromaticContact CD2-NE2 4Å; H159-H256 AromaticContact CE1-CD2 3.95Å; H159-H256 AromaticContact CE1-CE1 3.65Å; H159-H256 AromaticContact CE1-NE2 3.62Å; H159-H256 AromaticContact CG-CD2 3.32Å; H159-H256 AromaticContact CG-CG 3.63Å; H159-H256 AromaticContact CG-NE2 3.76Å; H159-H256 AromaticContact ND1-CD2 3.59Å; H159-H256 AromaticContact ND1-NE2 3.52Å; H159-H256 AromaticContact NE2-CD2 3.96Å; H159-H256 AromaticContact NE2-CE1 3.66Å; H159-H256 AromaticContact NE2-CG 3.76Å; H159-H256 AromaticContact NE2-ND1 3.57Å; H159-H256 AromaticContact NE2-NE2 3.92Å
160C80.9Confident86.2Confident5 Ų560.5 Ų60.53%0.03431%0.314CS..THydrogen-bonded Turntrans-97.57.8178.168.80000113.2C157 G162 Y163 G164 D166 C254C157-C160 VanDerWaalsContact CB-SG 3.54Å; C160-G162 PolarHBondContact O-N 2.98Å; C160-Y163 VanDerWaalsContact O-CB 3.23Å; C160-Y163 WeakPolarHBondContact O-CB 3.13Å; C160-Y163 WeakPolarHBondContact O-CD2 3.17Å; C160-Y163 PolarHBondContact O-N 2.69Å; C160-G164 PolarHBondContact SG-N 2.98Å; C160-D166 WeakPolarHBondContact CB-OD1 3.36Å; C160-C254 HydrophobicContact CB-CB 3.67Å
161R81.1Confident85.7Confident74 Ų7454.1 Ų54.128%0.27928%0.28SS..THydrogen-bonded Turntrans5033.3-180-57.9-179.4177163.6-1.2114.9C157 Y163C157-R161 WeakPolarHBondContact O-CA 3.2Å; C157-R161 PolarHBondContact O-N 2.68Å; R161-Y163 HydrophobicContact CB-CD2 4.31Å; R161-Y163 HydrophobicContact CB-CE2 4.37Å
162G80.9Confident85.2Confident31 Ų3160.7 Ų60.732%0.3230%0.296SS..THydrogen-bonded Turntrans91.7-6.9-178.200000115.7C157 C160 G164 G261C157-G162 PolarHBondContact O-N 2.89Å; C160-G162 PolarHBondContact O-N 2.98Å; G162-G164 VanDerWaalsContact C-N 3.35Å; G162-G164 PolarHBondContact O-N 3.29Å; G162-G261 VanDerWaalsContact CA-O 3.31Å; G162-G261 WeakPolarHBondContact CA-O 3.42Å
163Y80Confident84.5Confident81 Ų8156.7 Ų56.732%0.31828%0.275SS..SBendtrans-75.6-21.9-174.6-73.4-61.6000114.5C160 R161 T165 M210C160-Y163 VanDerWaalsContact O-CB 3.23Å; C160-Y163 WeakPolarHBondContact O-CB 3.13Å; C160-Y163 WeakPolarHBondContact O-CD2 3.17Å; C160-Y163 PolarHBondContact O-N 2.69Å; R161-Y163 HydrophobicContact CB-CD2 4.31Å; R161-Y163 HydrophobicContact CB-CE2 4.37Å; Y163-T165 PolarHBondContact O-N 2.88Å; Y163-T165 PolarHBondContact O-OG1 2.96Å; Y163-M210 VanDerWaalsContact CB-CE 3.41Å; Y163-M210 HydrophobicContact CD1-CE 3.27Å; Y163-M210 HydrophobicContact CD2-CE 4.28Å; Y163-M210 HydrophobicContact CE1-CE 4.11Å; Y163-M210 HydrophobicContact CG-CE 3.39Å
164G83.1Confident84Confident1 Ų158.5 Ų58.51%0.0129%0.285CS..SBendtrans74.8-4.7-174.800000114.1C160 G162 C254 G259 G261C160-G164 PolarHBondContact SG-N 2.98Å; G162-G164 VanDerWaalsContact C-N 3.35Å; G162-G164 PolarHBondContact O-N 3.29Å; G164-C254 WeakPolarHBondContact O-CB 3.46Å; G164-C254 PolarHBondContact O-N 3.04Å; G164-G259 WeakPolarHBondContact CA-O 3.49Å; G164-G259 VanDerWaalsContact O-CA 3.23Å; G164-G259 WeakPolarHBondContact O-CA 3.43Å; G164-G261 VanDerWaalsContact CA-CA 3.48Å
165T83.1Confident83.6Confident24 Ų2456.5 Ų56.515%0.14727%0.273CS..EExtended strand (participates in β ladder)trans-137.1148.9-174.8480000110.7Y163 M210 I251 K252Y163-T165 PolarHBondContact O-N 2.88Å; Y163-T165 PolarHBondContact O-OG1 2.96Å; T165-M210 VanDerWaalsContact OG1-CE 3.3Å; T165-M210 WeakPolarHBondContact OG1-CE 3.43Å; T165-M210 PolarHBondContact OG1-SD 2.97Å; T165-I251 HydrophobicContact CG2-CD1 4.13Å; T165-K252 CarbonylContact C-O 3.54Å; T165-K252 WeakPolarHBondContact CA-O 3.47Å; T165-K252 VanDerWaalsContact CB-O 3.23Å; T165-K252 WeakPolarHBondContact CB-O 3.37Å
166D81.8Confident83.2Confident50 Ų5055.1 Ų55.127%0.26727%0.266SS..EExtended strand (participates in β ladder)trans-115.5151.6178.3-65-31.6000110C160 C168 I251 K252 C254C160-D166 WeakPolarHBondContact CB-OD1 3.36Å; D166-C168 PolarHBondContact O-N 3.18Å; D166-I251 CarbonylContact O-C 3.5Å; D166-I251 WeakPolarHBondContact O-CA 3.47Å; D166-K252 PolarHBondContact N-O 2.76Å; D166-K252 PolarHBondContact O-N 3.48Å; D166-C254 VanDerWaalsContact OD2-CA 3.24Å; D166-C254 WeakPolarHBondContact OD2-CA 3.45Å; D166-C254 WeakPolarHBondContact OD2-CB 3.32Å; D166-C254 PolarHBondContact OD2-SG 3.04Å
167K81.6Confident83.1Confident89 Ų8955.8 Ų55.839%0.38727%0.268SS..EExtended strand (participates in β ladder)trans-56.6131.9171.7173.3177.2-83.6-155.80109.2S169 R172 T208K167-S169 PolarHBondContact O-N 2.74Å; K167-R172 VanDerWaalsContact CD-O 3.23Å; K167-R172 WeakPolarHBondContact CD-O 3.46Å; K167-R172 WeakPolarHBondContact CE-O 3.42Å; K167-R172 PolarHBondContact NZ-O 3.03Å; K167-R172 VanDerWaalsContact NZ-O 3.11Å; K167-T208 WeakPolarHBondContact CE-OG1 3.41Å
168C84.6Confident82.8Confident0 Ų060 Ų600%030%0.297CS..  trans-64.3114.1174.2178.30000109.2D166 F170 C171 R172 G173 C246 G250 K252D166-C168 PolarHBondContact O-N 3.18Å; C168-F170 VanDerWaalsContact C-N 3.26Å; C168-F170 PolarHBondContact O-N 3.19Å; C168-C171 VanDerWaalsContact CB-SG 3.53Å; C168-R172 WeakPolarHBondContact O-CA 3.42Å; C168-R172 PolarHBondContact O-N 3.29Å; C168-G173 PolarHBondContact O-N 2.63Å; C168-C246 HydrophobicContact CB-CB 4.02Å; C168-G250 WeakPolarHBondContact CB-O 3.03Å; C168-G250 PolarHBondContact N-O 3.24Å; C168-K252 HydrophobicContact CB-CG 4.36Å
169S84.4Confident82.3Confident101 Ų10157.2 Ų57.271%0.70631%0.31SS*.THydrogen-bonded Turntrans-61.1-34.1-179.9520000113K167K167-S169 PolarHBondContact O-N 2.74Å
170F85.1Confident82.2Confident82 Ų8253.8 Ų53.836%0.3630%0.298SS..THydrogen-bonded Turntrans-66.8-46.5-177.1-168.1-92.8000113.1C168 Y244 M245C168-F170 VanDerWaalsContact C-N 3.26Å; C168-F170 PolarHBondContact O-N 3.19Å; F170-Y244 HydrophobicContact CD1-CD1 4.45Å; F170-Y244 HydrophobicContact CD1-CE1 4.05Å; F170-Y244 HydrophobicContact CD2-CE1 4.27Å; F170-Y244 AromaticContact CE1-CD1 3.95Å; F170-Y244 HydrophobicContact CE1-CD1 3.95Å; F170-Y244 AromaticContact CE1-CE1 3.5Å; F170-Y244 HydrophobicContact CE1-CE1 3.5Å; F170-Y244 AromaticContact CE2-CE1 3.76Å; F170-Y244 HydrophobicContact CE2-CE1 3.76Å; F170-Y244 HydrophobicContact CG-CE1 4.42Å; F170-Y244 HydrophobicContact CZ-CD1 4.23Å; F170-Y244 AromaticContact CZ-CE1 3.37Å; F170-Y244 HydrophobicContact CZ-CE1 3.37Å; F170-M245 HydrophobicContact CB-CB 4.02Å; F170-M245 HydrophobicContact CB-CG 3.93Å; F170-M245 HydrophobicContact CD1-CG 4.35Å; F170-M245 HydrophobicContact CD2-CG 4.22Å; F170-M245 HydrophobicContact CG-CB 4.33Å; F170-M245 HydrophobicContact CG-CG 3.89Å
171C83.3Confident81.8Confident8 Ų855.5 Ų55.55%0.05431%0.312CS..THydrogen-bonded Turntrans-102.83.8179.566.60000113.5C168 G173 T174 G175 M176 C243 C246C168-C171 VanDerWaalsContact CB-SG 3.53Å; C171-G173 PolarHBondContact O-N 2.86Å; C171-T174 WeakPolarHBondContact O-CB 3.25Å; C171-T174 WeakPolarHBondContact O-CG2 3.23Å; C171-T174 PolarHBondContact O-N 3.49Å; C171-T174 PolarHBondContact O-OG1 3.44Å; C171-G175 PolarHBondContact SG-N 3.37Å; C171-M176 VanDerWaalsContact CB-O 3.24Å; C171-M176 WeakPolarHBondContact CB-O 3.45Å; C171-C243 HydrophobicContact CB-CB 3.76Å; C171-C246 VanDerWaalsContact SG-SG 3.62Å
172R80.6Confident81.2Confident201 Ų20152.6 Ų52.676%0.75830%0.302SS*.THydrogen-bonded Turntrans51.327.2-176.4-60.7-177.4173.7171.8-2.1115.2K167 C168K167-R172 VanDerWaalsContact CD-O 3.23Å; K167-R172 WeakPolarHBondContact CD-O 3.46Å; K167-R172 WeakPolarHBondContact CE-O 3.42Å; K167-R172 PolarHBondContact NZ-O 3.03Å; K167-R172 VanDerWaalsContact NZ-O 3.11Å; C168-R172 WeakPolarHBondContact O-CA 3.42Å; C168-R172 PolarHBondContact O-N 3.29Å
173G79.4Confident80.4Confident4 Ų451.9 Ų51.94%0.04129%0.291CS..THydrogen-bonded Turntrans102.4-11.7-179.900000115.5C168 C171 G175 T222 G250C168-G173 PolarHBondContact O-N 2.63Å; C171-G173 PolarHBondContact O-N 2.86Å; G173-G175 PolarHBondContact O-N 3.35Å; G173-T222 VanDerWaalsContact O-CG2 3.26Å; G173-T222 WeakPolarHBondContact O-CG2 3.43Å; G173-G250 WeakPolarHBondContact CA-O 3.39Å
174T81.9Confident79.6Confident39 Ų3948.2 Ų48.224%0.23928%0.278CS..SBendtrans-74.6-24.3-174.661.60000113.5C171 M176 F194 P223C171-T174 WeakPolarHBondContact O-CB 3.25Å; C171-T174 WeakPolarHBondContact O-CG2 3.23Å; C171-T174 PolarHBondContact O-N 3.49Å; C171-T174 PolarHBondContact O-OG1 3.44Å; T174-M176 PolarHBondContact O-N 3.29Å; T174-M176 PolarHBondContact OG1-N 2.84Å; T174-F194 HydrophobicContact CG2-CE2 4.38Å; T174-F194 HydrophobicContact CG2-CZ 4.08Å; T174-P223 WeakPolarHBondContact O-CD 3.1Å
175G84.3Confident78.3Confident0 Ų052.3 Ų52.30%030%0.302CS..  trans73-1.6-172.500000114.1C171 G173 C243 G248C171-G175 PolarHBondContact SG-N 3.37Å; G173-G175 PolarHBondContact O-N 3.35Å; G175-C243 VanDerWaalsContact O-CB 3.28Å; G175-C243 WeakPolarHBondContact O-CB 3.22Å; G175-C243 PolarHBondContact O-N 3Å; G175-G248 VanDerWaalsContact O-CA 3.31Å; G175-G248 WeakPolarHBondContact O-CA 3.32Å
176M84.8Confident76.9Confident5 Ų559.8 Ų59.83%0.02533%0.329CS..BIsolated β-bridgetrans-97.1154.2-179.2-61.3-86.721.600111.5C171 T174 V180 H182 P183 P223 I237 D241 L242C171-M176 VanDerWaalsContact CB-O 3.24Å; C171-M176 WeakPolarHBondContact CB-O 3.45Å; T174-M176 PolarHBondContact O-N 3.29Å; T174-M176 PolarHBondContact OG1-N 2.84Å; M176-V180 HydrophobicContact CE-CB 4.28Å; M176-V180 HydrophobicContact CE-CG1 3.78Å; M176-V180 HydrophobicContact SD-CG1 4.48Å; M176-H182 HydrophobicContact CG-CB 4.31Å; M176-P183 WeakPolarHBondContact SD-CD 3.4Å; M176-P183 HydrophobicContact SD-CG 4.36Å; M176-P223 HydrophobicContact CE-CG 4.33Å; M176-P223 HydrophobicContact CG-CG 4.24Å; M176-P223 HydrophobicContact SD-CG 3.64Å; M176-I237 HydrophobicContact CE-CG2 4.3Å; M176-I237 HydrophobicContact SD-CD1 4.15Å; M176-D241 HydrophobicContact CE-CB 3.88Å; M176-D241 WeakPolarHBondContact CE-O 3.47Å; M176-L242 HydrophobicContact CE-CD2 4.33Å
177K87.4Confident75.4Confident112 Ų11261.6 Ų61.649%0.48734%0.342SS..PPolyproline II helixtrans-69.2145.8168.1-176.3-178.7176.8-173.70109.8G179 V180 D241K177-G179 PolarHBondContact O-N 3.4Å; K177-V180 HydrophobicContact CB-CG2 4.01Å; K177-V180 WeakPolarHBondContact O-CB 3.32Å; K177-V180 PolarHBondContact O-N 2.79Å; K177-V180 VanDerWaalsContact O-N 3.11Å; K177-D241 WeakPolarHBondContact CB-O 2.92Å; K177-D241 PolarHBondContact N-O 3.28Å
178S80.5Confident73.6Confident89 Ų8963.3 Ų63.362%0.62235%0.351SS*.THydrogen-bonded Turntrans-56133.8176.4-58.80000111.2V180S178-V180 VanDerWaalsContact C-N 3.31Å
179G77Confident71.6Confident90 Ų9068.8 Ų68.893%0.92839%0.387SS*.THydrogen-bonded Turntrans86-7.5-17800000114.9K177K177-G179 PolarHBondContact O-N 3.4Å
180V79.9Confident69.5Low44 Ų4471.7 Ų71.727%0.26739%0.391SS..PPolyproline II helixtrans-90.9126.5172.6-175.90000109.6M176 K177 S178 H182 D241M176-V180 HydrophobicContact CE-CB 4.28Å; M176-V180 HydrophobicContact CE-CG1 3.78Å; M176-V180 HydrophobicContact SD-CG1 4.48Å; K177-V180 HydrophobicContact CB-CG2 4.01Å; K177-V180 WeakPolarHBondContact O-CB 3.32Å; K177-V180 PolarHBondContact O-N 2.79Å; K177-V180 VanDerWaalsContact O-N 3.11Å; S178-V180 VanDerWaalsContact C-N 3.31Å; V180-H182 PolarHBondContact O-N 3.21Å; V180-D241 HydrophobicContact CG1-CB 4.12Å; V180-D241 HydrophobicContact CG2-CB 4.47Å
181A72.8Confident67.5Low41 Ų4172.3 Ų72.334%0.33940%0.397SS..PPolyproline II helixtrans-65.4132.9175.600000110.3Y186A181-Y186 HydrophobicContact CB-CE2 3.65Å; A181-Y186 WeakPolarHBondContact CB-OH 3.45Å
182H69.4Low65.4Low13 Ų1374.3 Ų74.36%0.0642%0.415CS..PPolyproline II helixtrans-70.8138.5-178.6-174.4-87.1000110.6M176 V180 A184 V185 F194 G221M176-H182 HydrophobicContact CG-CB 4.31Å; V180-H182 PolarHBondContact O-N 3.21Å; H182-A184 VanDerWaalsContact ND1-CB 3.27Å; H182-A184 WeakPolarHBondContact ND1-CB 3.4Å; H182-A184 PolarHBondContact ND1-N 2.87Å; H182-A184 VanDerWaalsContact ND1-N 3.18Å; H182-A184 PolarHBondContact O-N 3.33Å; H182-V185 HydrophobicContact CB-CG2 4.19Å; H182-V185 VanDerWaalsContact O-CB 3.27Å; H182-V185 WeakPolarHBondContact O-CB 3.34Å; H182-V185 WeakPolarHBondContact O-CG2 3.49Å; H182-V185 PolarHBondContact O-N 2.79Å; H182-F194 HydrophobicContact CB-CZ 4.41Å; H182-F194 AromaticContact CD2-CE1 3.99Å; H182-F194 AromaticContact CD2-CZ 3.62Å; H182-F194 AromaticContact CE1-CE1 3.67Å; H182-F194 AromaticContact CE1-CZ 3.68Å; H182-F194 AromaticContact CG-CZ 3.7Å; H182-F194 AromaticContact ND1-CZ 3.73Å; H182-F194 AromaticContact NE2-CE1 3.51Å; H182-F194 AromaticContact NE2-CZ 3.61Å; H182-G221 PolarHBondContact CE1-O 2.82Å; H182-G221 PolarHBondContact NE2-O 2.82Å
183P64.4Low63.7Low15 Ų1569.9 Ų69.910%0.09741%0.41CS..Hα-helixtrans-56-30.8-175.511.6-24.1000113.9M176 V185 Y186 P223 P234 I237M176-P183 WeakPolarHBondContact SD-CD 3.4Å; M176-P183 HydrophobicContact SD-CG 4.36Å; P183-V185 PolarHBondContact O-N 2.85Å; P183-Y186 PolarHBondContact O-N 3.05Å; P183-Y186 VanDerWaalsContact O-N 3.16Å; P183-P223 HydrophobicContact CG-CG 4.38Å; P183-P234 HydrophobicContact CB-CB 3.99Å; P183-P234 HydrophobicContact CB-CG 4.41Å; P183-P234 HydrophobicContact CG-CB 4.36Å; P183-P234 HydrophobicContact CG-CG 4.31Å; P183-I237 HydrophobicContact CB-CD1 3.52Å; P183-I237 VanDerWaalsContact CD-CD1 3.44Å; P183-I237 HydrophobicContact CG-CD1 3.37Å
184A61.5Low62.3Low5 Ų573 Ų734%0.04142%0.422CS..Hα-helixtrans-65.6-16.9175.300000114.6H182 Y186 I191H182-A184 VanDerWaalsContact ND1-CB 3.27Å; H182-A184 WeakPolarHBondContact ND1-CB 3.4Å; H182-A184 PolarHBondContact ND1-N 2.87Å; H182-A184 VanDerWaalsContact ND1-N 3.18Å; H182-A184 PolarHBondContact O-N 3.33Å; A184-Y186 VanDerWaalsContact C-N 3.33Å; A184-I191 HydrophobicContact CB-CG2 4.29Å
185V57.4Low60.7Low86 Ų8674.1 Ų74.152%0.52143%0.43SS..Hα-helixtrans-74.6-28.5175.3-178.50000110.8H182 P183H182-V185 HydrophobicContact CB-CG2 4.19Å; H182-V185 VanDerWaalsContact O-CB 3.27Å; H182-V185 WeakPolarHBondContact O-CB 3.34Å; H182-V185 WeakPolarHBondContact O-CG2 3.49Å; H182-V185 PolarHBondContact O-N 2.79Å; P183-V185 PolarHBondContact O-N 2.85Å
186Y52.9Low59.1Low181 Ų18182.2 Ų82.271%0.7147%0.468SS*.Hα-helixtrans-81.9-19.6179.9-65.7-79.8000113.4A181 P183 A184A181-Y186 HydrophobicContact CB-CE2 3.65Å; A181-Y186 WeakPolarHBondContact CB-OH 3.45Å; P183-Y186 PolarHBondContact O-N 3.05Å; P183-Y186 VanDerWaalsContact O-N 3.16Å; A184-Y186 VanDerWaalsContact C-N 3.33Å
187T50.3Low57.5Low89 Ų8983.1 Ų83.155%0.54648%0.476SS..Hα-helixtrans-102.1-14.1-171.954.90000115.4
188H44Very low55.3Low124 Ų12483 Ų8357%0.57448%0.481SS*.  trans178.3143.1157.8-114.1-79.9000110.4M190 I191H188-M190 PolarHBondContact O-N 3.24Å; H188-I191 HydrophobicContact CB-CD1 3.8Å; H188-I191 HydrophobicContact CB-CG1 3.96Å; H188-I191 PolarHBondContact O-N 3.26Å
189P42.1Very low53.6Low115 Ų11585.3 Ų85.375%0.74749%0.486SS*.THydrogen-bonded Turntrans-60.7-17.1179.3-21.931.7000115.5
190M40.1Very low52.2Low162 Ų16285.4 Ų85.480%0.79847%0.472SS*.THydrogen-bonded Turntrans-98.4-7-175.9-67.5-76.8-79.900114H188H188-M190 PolarHBondContact O-N 3.24Å
191I43.6Very low50.9Low95 Ų9591.4 Ų91.449%0.48749%0.49SS..SBendtrans-90.2-6.9179-59.1175.4000111.2A184 H188 T193A184-I191 HydrophobicContact CB-CG2 4.29Å; H188-I191 HydrophobicContact CB-CD1 3.8Å; H188-I191 HydrophobicContact CB-CG1 3.96Å; H188-I191 PolarHBondContact O-N 3.26Å; I191-T193 PolarHBondContact O-N 2.85Å; I191-T193 VanDerWaalsContact O-N 3.08Å
192A39.9Very low49.4Very low51 Ų5192.1 Ų92.142%0.42150%0.501SS..  trans-69.70.4177.400000114.4F194A192-F194 VanDerWaalsContact C-N 3.26Å; A192-F194 PolarHBondContact O-N 2.92Å
193T43.6Very low48.4Very low107 Ų10799.9 Ų99.966%0.65653%0.531SS*.  trans-77.682168.4-31.10000108.1I191 P195I191-T193 PolarHBondContact O-N 2.85Å; I191-T193 VanDerWaalsContact O-N 3.08Å; T193-P195 WeakPolarHBondContact O-CD 3.28Å; T193-P195 VanDerWaalsContact O-N 3.09Å
194F51.4Low47.4Very low69 Ų69103.7 Ų103.730%0.30356%0.564SS.*  trans-50.5121.8161-67.5-83.2000106.4T174 H182 A192 H196T174-F194 HydrophobicContact CG2-CE2 4.38Å; T174-F194 HydrophobicContact CG2-CZ 4.08Å; H182-F194 HydrophobicContact CB-CZ 4.41Å; H182-F194 AromaticContact CD2-CE1 3.99Å; H182-F194 AromaticContact CD2-CZ 3.62Å; H182-F194 AromaticContact CE1-CE1 3.67Å; H182-F194 AromaticContact CE1-CZ 3.68Å; H182-F194 AromaticContact CG-CZ 3.7Å; H182-F194 AromaticContact ND1-CZ 3.73Å; H182-F194 AromaticContact NE2-CE1 3.51Å; H182-F194 AromaticContact NE2-CZ 3.61Å; A192-F194 VanDerWaalsContact C-N 3.26Å; A192-F194 PolarHBondContact O-N 2.92Å; F194-H196 PolarHBondContact O-N 3.02Å
195P47.3Very low46.7Very low63 Ų63107.1 Ų107.141%0.40959%0.588SS.*  trans-56.8111.6-179.6-4.46.5000107.5T193 A209 I220T193-P195 WeakPolarHBondContact O-CD 3.28Å; T193-P195 VanDerWaalsContact O-N 3.09Å; P195-A209 HydrophobicContact CB-CB 4.07Å; P195-A209 HydrophobicContact CG-CB 4.18Å; P195-I220 HydrophobicContact CG-CB 4.49Å; P195-I220 HydrophobicContact CG-CG2 3.9Å
196H51.2Low46.4Very low170 Ų170107.6 Ų107.679%0.78760%0.595SS**BIsolated β-bridgetrans-59.7143.5160.3-75.1-80.2000106.8F194F194-H196 PolarHBondContact O-N 3.02Å
197A50.3Low46.3Very low24 Ų24100.3 Ų100.320%0.19857%0.57CS.*  trans-28.7139.1-172.500000114.9L199 S207A197-L199 PolarHBondContact O-N 2.87Å; A197-S207 WeakPolarHBondContact CB-O 3.02Å
198D40.8Very low46.7Very low110 Ų11097.2 Ų97.259%0.58855%0.551SS**  trans-45.3109.4162.5-167.6-16.2000109.7S200D198-S200 PolarHBondContact O-N 3.35Å; D198-S200 VanDerWaalsContact OD1-CB 3.27Å; D198-S200 WeakPolarHBondContact OD1-CB 3.41Å; D198-S200 PolarHBondContact OD1-N 2.78Å; D198-S200 PolarHBondContact OD1-OG 2.94Å; D198-S200 PolarHBondContact OD2-OG 2.84Å
199L46.9Very low47.7Very low138 Ų13892.3 Ų92.372%0.72353%0.532SS*.G310 helixtrans-76.8-3.6-173.1-15275.6000111.9A197 R201 G202A197-L199 PolarHBondContact O-N 2.87Å; L199-R201 PolarHBondContact O-N 3.26Å; L199-R201 VanDerWaalsContact O-N 3.1Å; L199-G202 PolarHBondContact O-N 3.45Å
200S47.1Very low49.1Very low92 Ų9289.1 Ų89.164%0.64351%0.508SS*.G310 helixtrans-63.7-14.5-178.758.60000114.2D198D198-S200 PolarHBondContact O-N 3.35Å; D198-S200 VanDerWaalsContact OD1-CB 3.27Å; D198-S200 WeakPolarHBondContact OD1-CB 3.41Å; D198-S200 PolarHBondContact OD1-N 2.78Å; D198-S200 PolarHBondContact OD1-OG 2.94Å; D198-S200 PolarHBondContact OD2-OG 2.84Å
201R52.4Low50.5Low170 Ų17083.4 Ų83.464%0.64248%0.482SS*.G310 helixtrans-11216.7177.2-70.2-175.8171.6-173.6-2.8115.3L199 Y203L199-R201 PolarHBondContact O-N 3.26Å; L199-R201 VanDerWaalsContact O-N 3.1Å; R201-Y203 PolarHBondContact O-N 3.37Å
202G40.7Very low52Low55 Ų5587.2 Ų87.257%0.56749%0.49SS*.SBendtrans77.210.7153.400000120L199L199-G202 PolarHBondContact O-N 3.45Å
203Y48.3Very low53.6Low176 Ų17690 Ų9069%0.6950%0.495SS*.  trans-138.9117.9176-70-84.4000113.7R201 S205R201-Y203 PolarHBondContact O-N 3.37Å; Y203-S205 PolarHBondContact O-N 3.12Å
204A43.4Very low55.1Low95 Ų9588.5 Ų88.579%0.78550%0.5SS*.  trans-74.486.6177.700000111.6
205S47.8Very low56.1Low78 Ų7890.8 Ų90.855%0.54552%0.524SS..SBendtrans168.5141.214846.70000110.6Y203Y203-S205 PolarHBondContact O-N 3.12Å
206S49.9Very low57.5Low96 Ų9691.1 Ų91.167%0.67152%0.523SS*.SBendtrans98.5-13.1158.1-51.20000120.5
207S51.9Low59Low27 Ų2784.2 Ų84.219%0.18949%0.494CS..PPolyproline II helixtrans-92.1116.4177.5-54.20000111.9A197A197-S207 WeakPolarHBondContact CB-O 3.02Å
208T57.4Low60.6Low24 Ų2484.1 Ų84.115%0.14749%0.488CS..BIsolated β-bridgetrans-70.7131.7161.6-45.50000107K167 M210K167-T208 WeakPolarHBondContact CE-OG1 3.41Å; T208-M210 WeakPolarHBondContact O-CG 3.39Å; T208-M210 PolarHBondContact O-N 3.21Å
209A65.2Low62.5Low22 Ų2278.9 Ų78.918%0.18246%0.46CS..PPolyproline II helixtrans-60136.3168.700000109.1P195 I220P195-A209 HydrophobicContact CB-CB 4.07Å; P195-A209 HydrophobicContact CG-CB 4.18Å; A209-I220 HydrophobicContact CB-CB 4.28Å; A209-I220 HydrophobicContact CB-CD1 3.47Å; A209-I220 VanDerWaalsContact CB-CD1 3.47Å; A209-I220 HydrophobicContact CB-CG1 4.11Å; A209-I220 WeakPolarHBondContact O-CB 3.39Å; A209-I220 WeakPolarHBondContact O-CG1 3.33Å; A209-I220 PolarHBondContact O-N 2.83Å
210M71.4Confident63.9Low48 Ų4874.6 Ų74.624%0.23644%0.438CS..EExtended strand (participates in β ladder)trans-126.1150.8-171.7-55-167.5-70.800111.9Y163 T165 T208 Y218 I251Y163-M210 VanDerWaalsContact CB-CE 3.41Å; Y163-M210 HydrophobicContact CD1-CE 3.27Å; Y163-M210 HydrophobicContact CD2-CE 4.28Å; Y163-M210 HydrophobicContact CE1-CE 4.11Å; Y163-M210 HydrophobicContact CG-CE 3.39Å; T165-M210 VanDerWaalsContact OG1-CE 3.3Å; T165-M210 WeakPolarHBondContact OG1-CE 3.43Å; T165-M210 PolarHBondContact OG1-SD 2.97Å; T208-M210 WeakPolarHBondContact O-CG 3.39Å; T208-M210 PolarHBondContact O-N 3.21Å; M210-Y218 WeakPolarHBondContact CA-O 3.44Å; M210-I251 HydrophobicContact CG-CG2 4.42Å; M210-I251 HydrophobicContact SD-CD1 3.67Å; M210-I251 HydrophobicContact SD-CG2 4Å
211V70.6Confident65.3Low41 Ų4170.8 Ų70.825%0.24841%0.413CS..EExtended strand (participates in β ladder)trans-123.2137.9174.2169.70000108.9Y218 I220V211-Y218 PolarHBondContact N-O 3.11Å; V211-Y218 PolarHBondContact O-N 2.83Å; V211-I220 HydrophobicContact CB-CG1 4.41Å; V211-I220 HydrophobicContact CG2-CD1 3.86Å; V211-I220 HydrophobicContact CG2-CG1 3.49Å; V211-I220 VanDerWaalsContact CG2-CG1 3.49Å
212R75.1Confident66.7Low176 Ų17662.7 Ų62.766%0.66438%0.382SS*.EExtended strand (participates in β ladder)trans-102.1132.7172.9-66.9-172.6172.8178.3-0.6109
213H73.3Confident68.6Low110 Ų11060.1 Ų60.151%0.50936%0.355SS..EExtended strand (participates in β ladder)trans-136.1107.1173.1-168.2-84.4000108.7N216H213-N216 PolarHBondContact N-O 2.71Å; H213-N216 PolarHBondContact O-N 2.91Å
214G75.2Confident70.3Confident75 Ų7553.7 Ų53.777%0.77333%0.332SS*.THydrogen-bonded Turntrans63.5-133.2-167.200000111.8N216G214-N216 VanDerWaalsContact C-N 3.34Å
215S71.2Confident72.2Confident116 Ų11649.8 Ų49.881%0.81130%0.298SS*.THydrogen-bonded Turntrans-80.3-11.2176.854.80000114.2
216N78.2Confident73.8Confident70 Ų7049.2 Ų49.237%0.37429%0.286SS..EExtended strand (participates in β ladder)trans-100142.4-173.4-71.6-35.1000112.4H213 G214 Y218H213-N216 PolarHBondContact N-O 2.71Å; H213-N216 PolarHBondContact O-N 2.91Å; G214-N216 VanDerWaalsContact C-N 3.34Å; N216-Y218 HydrophobicContact CB-CE1 4.11Å; N216-Y218 HydrophobicContact CB-CE2 3.74Å; N216-Y218 WeakPolarHBondContact CB-OH 3.38Å; N216-Y218 PolarHBondContact ND2-OH 3.39Å
217S82Confident75.3Confident26 Ų2647.6 Ų47.618%0.18227%0.268CS..EExtended strand (participates in β ladder)trans-115.4140.2176.3-58.10000110.3I251S217-I251 WeakPolarHBondContact O-CD1 3.39Å
218Y83.4Confident76.7Confident22 Ų2247.4 Ų47.49%0.08627%0.267CS..EExtended strand (participates in β ladder)trans-138.8149.3-179.9-45.3-76.6000110.2M210 V211 N216 M224 R249M210-Y218 WeakPolarHBondContact CA-O 3.44Å; V211-Y218 PolarHBondContact N-O 3.11Å; V211-Y218 PolarHBondContact O-N 2.83Å; N216-Y218 HydrophobicContact CB-CE1 4.11Å; N216-Y218 HydrophobicContact CB-CE2 3.74Å; N216-Y218 WeakPolarHBondContact CB-OH 3.38Å; N216-Y218 PolarHBondContact ND2-OH 3.39Å; Y218-M224 HydrophobicContact CD1-CB 3.44Å; Y218-M224 VanDerWaalsContact CD1-CB 3.44Å; Y218-M224 HydrophobicContact CD1-CG 4.39Å; Y218-M224 HydrophobicContact CE1-CB 3.73Å; Y218-M224 HydrophobicContact CE1-CE 4.12Å; Y218-M224 HydrophobicContact CE1-CG 4.44Å; Y218-M224 HydrophobicContact CG-CB 4.09Å; Y218-R249 HydrophobicContact CD1-CB 3.99Å; Y218-R249 HydrophobicContact CD1-CG 3.64Å; Y218-R249 HydrophobicContact CE1-CG 3.86Å
219G80.2Confident77.8Confident0 Ų053.5 Ų53.50%029%0.291CS..EExtended strand (participates in β ladder)trans-64.4140.1168.300000110.6G221 T222 H225 R249G219-G221 PolarHBondContact O-N 2.84Å; G219-T222 WeakPolarHBondContact O-CB 3.43Å; G219-T222 WeakPolarHBondContact O-CG2 3.37Å; G219-T222 PolarHBondContact O-N 3.47Å; G219-T222 VanDerWaalsContact O-N 3.14Å; G219-T222 PolarHBondContact O-OG1 3.34Å; G219-H225 WeakPolarHBondContact O-CB 3.44Å; G219-R249 PolarHBondContact N-O 2.87Å
220I78.1Confident78.5Confident48 Ų4856.5 Ų56.525%0.24631%0.308CS..THydrogen-bonded Turntrans-58.9136.2175.7-71178.8000109.5P195 A209 V211 T222P195-I220 HydrophobicContact CG-CB 4.49Å; P195-I220 HydrophobicContact CG-CG2 3.9Å; A209-I220 HydrophobicContact CB-CB 4.28Å; A209-I220 HydrophobicContact CB-CD1 3.47Å; A209-I220 VanDerWaalsContact CB-CD1 3.47Å; A209-I220 HydrophobicContact CB-CG1 4.11Å; A209-I220 WeakPolarHBondContact O-CB 3.39Å; A209-I220 WeakPolarHBondContact O-CG1 3.33Å; A209-I220 PolarHBondContact O-N 2.83Å; V211-I220 HydrophobicContact CB-CG1 4.41Å; V211-I220 HydrophobicContact CG2-CD1 3.86Å; V211-I220 HydrophobicContact CG2-CG1 3.49Å; V211-I220 VanDerWaalsContact CG2-CG1 3.49Å; I220-T222 PolarHBondContact O-N 2.89Å
221G75Confident78.8Confident12 Ų1257.5 Ų57.512%0.12433%0.33CS..THydrogen-bonded Turntrans79.1-5.9-179.400000114.3H182 G219 H225 F226H182-G221 PolarHBondContact CE1-O 2.82Å; H182-G221 PolarHBondContact NE2-O 2.82Å; G219-G221 PolarHBondContact O-N 2.84Å; G221-H225 PolarHBondContact N-ND1 3.18Å; G221-F226 WeakPolarHBondContact O-CD2 3.29Å; G221-F226 WeakPolarHBondContact O-CE2 3.17Å
222T82.4Confident79.1Confident0 Ų059.8 Ų59.80%034%0.344CS..  trans-66.9156.5178.261.70000112.3G173 G219 I220 M224 H225 F226 G248G173-T222 VanDerWaalsContact O-CG2 3.26Å; G173-T222 WeakPolarHBondContact O-CG2 3.43Å; G219-T222 WeakPolarHBondContact O-CB 3.43Å; G219-T222 WeakPolarHBondContact O-CG2 3.37Å; G219-T222 PolarHBondContact O-N 3.47Å; G219-T222 VanDerWaalsContact O-N 3.14Å; G219-T222 PolarHBondContact O-OG1 3.34Å; I220-T222 PolarHBondContact O-N 2.89Å; T222-M224 PolarHBondContact O-N 3.12Å; T222-H225 WeakPolarHBondContact O-CA 3.39Å; T222-H225 WeakPolarHBondContact O-CB 3.46Å; T222-H225 PolarHBondContact O-N 2.84Å; T222-H225 WeakPolarHBondContact OG1-CB 3.38Å; T222-H225 PolarHBondContact OG1-N 3.04Å; T222-F226 WeakPolarHBondContact O-CD2 3.47Å; T222-F226 PolarHBondContact O-N 3.48Å; T222-G248 WeakPolarHBondContact CB-O 3.47Å
223P81.4Confident78.7Confident0 Ų055 Ų550%034%0.336CS..Hα-helixtrans-52.7-39.8175.1-28.635.5000113.1T174 M176 P183 H225 F226 M227 L242T174-P223 WeakPolarHBondContact O-CD 3.1Å; M176-P223 HydrophobicContact CE-CG 4.33Å; M176-P223 HydrophobicContact CG-CG 4.24Å; M176-P223 HydrophobicContact SD-CG 3.64Å; P183-P223 HydrophobicContact CG-CG 4.38Å; P223-H225 PolarHBondContact O-N 3.39Å; P223-F226 PolarHBondContact O-N 3.5Å; P223-M227 WeakPolarHBondContact O-CB 3.48Å; P223-M227 VanDerWaalsContact O-CG 3.28Å; P223-M227 WeakPolarHBondContact O-CG 3.21Å; P223-M227 PolarHBondContact O-N 3.48Å; P223-L242 HydrophobicContact CB-CD2 3.57Å; P223-L242 HydrophobicContact CG-CD2 3.75Å
224M84.3Confident78.5Confident42 Ų4250.5 Ų50.521%0.20732%0.316CS..Hα-helixtrans-69-32.5176.8-66.1-58.3-61.900113Y218 T222 M227 S228 H247 G248 R249Y218-M224 HydrophobicContact CD1-CB 3.44Å; Y218-M224 VanDerWaalsContact CD1-CB 3.44Å; Y218-M224 HydrophobicContact CD1-CG 4.39Å; Y218-M224 HydrophobicContact CE1-CB 3.73Å; Y218-M224 HydrophobicContact CE1-CE 4.12Å; Y218-M224 HydrophobicContact CE1-CG 4.44Å; Y218-M224 HydrophobicContact CG-CB 4.09Å; T222-M224 PolarHBondContact O-N 3.12Å; M224-M227 HydrophobicContact SD-CE 4.46Å; M224-M227 HydrophobicContact SD-SD 3.8Å; M224-S228 WeakPolarHBondContact O-CB 3.47Å; M224-S228 PolarHBondContact O-N 3.48Å; M224-S228 PolarHBondContact O-OG 3.11Å; M224-H247 WeakPolarHBondContact CG-O 2.97Å; M224-G248 WeakPolarHBondContact CG-O 3.31Å; M224-R249 HydrophobicContact CB-CG 4.43Å; M224-R249 HydrophobicContact CG-CG 4.14Å
225H83.3Confident78.2Confident13 Ų1353.2 Ų53.26%0.0632%0.321CS..Hα-helixtrans-64.4-45.5171.1169.5-119000111.3G219 G221 T222 P223 S228 K229G219-H225 WeakPolarHBondContact O-CB 3.44Å; G221-H225 PolarHBondContact N-ND1 3.18Å; T222-H225 WeakPolarHBondContact O-CA 3.39Å; T222-H225 WeakPolarHBondContact O-CB 3.46Å; T222-H225 PolarHBondContact O-N 2.84Å; T222-H225 WeakPolarHBondContact OG1-CB 3.38Å; T222-H225 PolarHBondContact OG1-N 3.04Å; P223-H225 PolarHBondContact O-N 3.39Å; H225-S228 PolarHBondContact O-N 3.09Å; H225-S228 PolarHBondContact O-OG 2.86Å; H225-K229 WeakPolarHBondContact NE2-CE 3.43Å; H225-K229 PolarHBondContact O-N 3.19Å
226F79.5Confident78.2Confident66 Ų6651.8 Ų51.829%0.28932%0.324SS..Hα-helixtrans-62.3-43.9175.1-76-69.8000112.7G221 T222 P223 S228 K229 T230 P234G221-F226 WeakPolarHBondContact O-CD2 3.29Å; G221-F226 WeakPolarHBondContact O-CE2 3.17Å; T222-F226 WeakPolarHBondContact O-CD2 3.47Å; T222-F226 PolarHBondContact O-N 3.48Å; P223-F226 PolarHBondContact O-N 3.5Å; F226-S228 VanDerWaalsContact C-N 3.32Å; F226-S228 PolarHBondContact O-N 3.03Å; F226-K229 PolarHBondContact O-N 2.77Å; F226-T230 PolarHBondContact O-N 3.26Å; F226-T230 PolarHBondContact O-OG1 2.98Å; F226-P234 HydrophobicContact CB-CG 4.22Å
227M81.8Confident78Confident61 Ų6149.9 Ų49.930%0.331%0.313SS..Hα-helixtrans-59.1-42.3174.1-74.5175.471.500111.9P223 M224 K229 T230 G231 P233P223-M227 WeakPolarHBondContact O-CB 3.48Å; P223-M227 VanDerWaalsContact O-CG 3.28Å; P223-M227 WeakPolarHBondContact O-CG 3.21Å; P223-M227 PolarHBondContact O-N 3.48Å; M224-M227 HydrophobicContact SD-CE 4.46Å; M224-M227 HydrophobicContact SD-SD 3.8Å; M227-K229 PolarHBondContact O-N 3.16Å; M227-T230 PolarHBondContact O-N 3.23Å; M227-G231 WeakPolarHBondContact O-CA 3.31Å; M227-G231 PolarHBondContact O-N 3.3Å; M227-P233 HydrophobicContact CE-CB 4.35Å; M227-P233 HydrophobicContact CG-CB 4.39Å; M227-P233 HydrophobicContact SD-CB 4.25Å
228S82.6Confident77.8Confident24 Ų2449.8 Ų49.817%0.16832%0.317CS..Hα-helixtrans-63.5-29179.6740000113.3M224 H225 F226M224-S228 WeakPolarHBondContact O-CB 3.47Å; M224-S228 PolarHBondContact O-N 3.48Å; M224-S228 PolarHBondContact O-OG 3.11Å; H225-S228 PolarHBondContact O-N 3.09Å; H225-S228 PolarHBondContact O-OG 2.86Å; F226-S228 VanDerWaalsContact C-N 3.32Å; F226-S228 PolarHBondContact O-N 3.03Å
229K80.3Confident77.5Confident151 Ų15154.9 Ų54.966%0.65735%0.35SS*.Hα-helixtrans-86.6-36.8177.6-75.4-163.9173.3-170.50114.2H225 F226 M227H225-K229 WeakPolarHBondContact NE2-CE 3.43Å; H225-K229 PolarHBondContact O-N 3.19Å; F226-K229 PolarHBondContact O-N 2.77Å; M227-K229 PolarHBondContact O-N 3.16Å
230T80.3Confident77.7Confident86 Ų8661.5 Ų61.553%0.52838%0.381SS..Hα-helixtrans-102.2-14.8-170.559.30000113.4F226 M227 V232F226-T230 PolarHBondContact O-N 3.26Å; F226-T230 PolarHBondContact O-OG1 2.98Å; M227-T230 PolarHBondContact O-N 3.23Å; T230-V232 PolarHBondContact O-N 3.36Å; T230-V232 PolarHBondContact OG1-O 3.31Å; T230-V232 VanDerWaalsContact OG1-O 3.07Å
231G77.7Confident78Confident69 Ų6960.5 Ų60.571%0.71138%0.376SS*.SBendtrans73.1-4-175.500000114.4M227M227-G231 WeakPolarHBondContact O-CA 3.31Å; M227-G231 PolarHBondContact O-N 3.3Å
232V75.3Confident78.7Confident89 Ų8961.1 Ų61.154%0.53938%0.376SS..SBendtrans-128.3146.5-177.7-67.80000111.1T230T230-V232 PolarHBondContact O-N 3.36Å; T230-V232 PolarHBondContact OG1-O 3.31Å; T230-V232 VanDerWaalsContact OG1-O 3.07Å
233P67.3Low78.9Confident74 Ų7461.1 Ų61.148%0.48138%0.376SS..PPolyproline II helixtrans-63.4145.9172.827.3-33000110.9M227M227-P233 HydrophobicContact CE-CB 4.35Å; M227-P233 HydrophobicContact CG-CB 4.39Å; M227-P233 HydrophobicContact SD-CB 4.25Å
234P69.4Low79.3Confident16 Ų1667.7 Ų67.710%0.10440%0.402CS..PPolyproline II helixtrans-52.4136.6171.9-2533.3000111P183 F226 G236 I237P183-P234 HydrophobicContact CB-CB 3.99Å; P183-P234 HydrophobicContact CB-CG 4.41Å; P183-P234 HydrophobicContact CG-CB 4.36Å; P183-P234 HydrophobicContact CG-CG 4.31Å; F226-P234 HydrophobicContact CB-CG 4.22Å; P234-G236 PolarHBondContact O-N 2.9Å; P234-I237 HydrophobicContact CB-CD1 4.09Å; P234-I237 PolarHBondContact O-N 2.94Å
235P68.8Low79.5Confident133 Ų13369.6 Ų69.686%0.86441%0.412SS*.THydrogen-bonded Turntrans-55.6132.2-179.1-24.232.6000111.8
236G70.4Confident79.8Confident85 Ų8569 Ų6988%0.87641%0.409SS*.THydrogen-bonded Turntrans7910176.900000115.8P234P234-G236 PolarHBondContact O-N 2.9Å
237I74.9Confident80.2Confident30 Ų3072.1 Ų72.115%0.15442%0.424CS..  trans-114.2119.8175.6-66-176.2000110M176 P183 P234 D241 L242M176-I237 HydrophobicContact CE-CG2 4.3Å; M176-I237 HydrophobicContact SD-CD1 4.15Å; P183-I237 HydrophobicContact CB-CD1 3.52Å; P183-I237 VanDerWaalsContact CD-CD1 3.44Å; P183-I237 HydrophobicContact CG-CD1 3.37Å; P234-I237 HydrophobicContact CB-CD1 4.09Å; P234-I237 PolarHBondContact O-N 2.94Å; I237-D241 HydrophobicContact CG2-CB 3.99Å; I237-L242 HydrophobicContact CG2-CD2 4.23Å
238G77.1Confident80.4Confident25 Ų2569.2 Ų69.226%0.25841%0.41SS..  trans-92169.4173.200000112.8H240 D241G238-H240 PolarHBondContact O-N 3.46Å; G238-D241 PolarHBondContact N-OD2 3.12Å; G238-D241 WeakPolarHBondContact O-CB 3.25Å; G238-D241 PolarHBondContact O-N 3.44Å; G238-D241 VanDerWaalsContact O-N 3.12Å
239T78.3Confident80.7Confident128 Ų12872.1 Ų72.179%0.78542%0.417SS*.THydrogen-bonded Turntrans-61.4-23.7173.352.80000113D241 L242T239-D241 VanDerWaalsContact C-N 3.3Å; T239-L242 PolarHBondContact O-N 2.93Å
240H82.8Confident80.8Confident139 Ų13965 Ų6564%0.64439%0.386SS*.THydrogen-bonded Turntrans-74.9-17.1177.461.3-88.9000114G238G238-H240 PolarHBondContact O-N 3.46Å
241D85.9Confident81.1Confident28 Ų2861 Ų6115%0.1536%0.362CS..THydrogen-bonded Turntrans-85.9-18.6177.3-64.8-44.1000112.1M176 K177 V180 I237 G238 T239M176-D241 HydrophobicContact CE-CB 3.88Å; M176-D241 WeakPolarHBondContact CE-O 3.47Å; K177-D241 WeakPolarHBondContact CB-O 2.92Å; K177-D241 PolarHBondContact N-O 3.28Å; V180-D241 HydrophobicContact CG1-CB 4.12Å; V180-D241 HydrophobicContact CG2-CB 4.47Å; I237-D241 HydrophobicContact CG2-CB 3.99Å; G238-D241 PolarHBondContact N-OD2 3.12Å; G238-D241 WeakPolarHBondContact O-CB 3.25Å; G238-D241 PolarHBondContact O-N 3.44Å; G238-D241 VanDerWaalsContact O-N 3.12Å; T239-D241 VanDerWaalsContact C-N 3.3Å
242L88.1Confident81.5Confident25 Ų2560.8 Ų60.813%0.13134%0.341CS..BIsolated β-bridgetrans-71149.1179.3-56.5-178.3000111M176 P223 I237 T239 Y244M176-L242 HydrophobicContact CE-CD2 4.33Å; P223-L242 HydrophobicContact CB-CD2 3.57Å; P223-L242 HydrophobicContact CG-CD2 3.75Å; I237-L242 HydrophobicContact CG2-CD2 4.23Å; T239-L242 PolarHBondContact O-N 2.93Å; L242-Y244 PolarHBondContact O-N 3.47Å
243C88.4Confident82.1Confident0 Ų062.9 Ų62.90%035%0.345CS..  trans-58114.2170.3173.10000109.5C171 G175 M245 C246 H247C171-C243 HydrophobicContact CB-CB 3.76Å; G175-C243 VanDerWaalsContact O-CB 3.28Å; G175-C243 WeakPolarHBondContact O-CB 3.22Å; G175-C243 PolarHBondContact O-N 3Å; C243-M245 PolarHBondContact O-N 2.91Å; C243-M245 VanDerWaalsContact O-N 3.16Å; C243-C246 VanDerWaalsContact CB-SG 3.55Å; C243-C246 PolarHBondContact O-N 2.81Å; C243-C246 PolarHBondContact SG-SG 2.83Å; C243-H247 VanDerWaalsContact O-CA 3.23Å; C243-H247 WeakPolarHBondContact O-CA 3.41Å; C243-H247 PolarHBondContact O-N 2.77Å
244Y89.2Confident83Confident138 Ų13859.4 Ų59.454%0.54132%0.322SS..THydrogen-bonded Turntrans-60.8-27.8-179.176.9-87.9000112.8F170 L242 H247F170-Y244 HydrophobicContact CD1-CD1 4.45Å; F170-Y244 HydrophobicContact CD1-CE1 4.05Å; F170-Y244 HydrophobicContact CD2-CE1 4.27Å; F170-Y244 AromaticContact CE1-CD1 3.95Å; F170-Y244 HydrophobicContact CE1-CD1 3.95Å; F170-Y244 AromaticContact CE1-CE1 3.5Å; F170-Y244 HydrophobicContact CE1-CE1 3.5Å; F170-Y244 AromaticContact CE2-CE1 3.76Å; F170-Y244 HydrophobicContact CE2-CE1 3.76Å; F170-Y244 HydrophobicContact CG-CE1 4.42Å; F170-Y244 HydrophobicContact CZ-CD1 4.23Å; F170-Y244 AromaticContact CZ-CE1 3.37Å; F170-Y244 HydrophobicContact CZ-CE1 3.37Å; L242-Y244 PolarHBondContact O-N 3.47Å; Y244-H247 PolarHBondContact O-CE1 3.39Å; Y244-H247 PolarHBondContact O-ND1 3.31Å
245M88.9Confident83.9Confident82 Ų8266.3 Ų66.340%0.40435%0.353SS..THydrogen-bonded Turntrans-75.6-27.8-177.8-76.1-58.6-102.900114.2F170 C243 K252F170-M245 HydrophobicContact CB-CB 4.02Å; F170-M245 HydrophobicContact CB-CG 3.93Å; F170-M245 HydrophobicContact CD1-CG 4.35Å; F170-M245 HydrophobicContact CD2-CG 4.22Å; F170-M245 HydrophobicContact CG-CB 4.33Å; F170-M245 HydrophobicContact CG-CG 3.89Å; C243-M245 PolarHBondContact O-N 2.91Å; C243-M245 VanDerWaalsContact O-N 3.16Å; M245-K252 WeakPolarHBondContact O-CE 3.28Å
246C88.2Confident84.7Confident1 Ų164.1 Ų64.11%0.00733%0.331CS..THydrogen-bonded Turntrans-125.14.6-179.966.50000113.2C168 C171 C243 G248 R249 G250 I251 K252C168-C246 HydrophobicContact CB-CB 4.02Å; C171-C246 VanDerWaalsContact SG-SG 3.62Å; C243-C246 VanDerWaalsContact CB-SG 3.55Å; C243-C246 PolarHBondContact O-N 2.81Å; C243-C246 PolarHBondContact SG-SG 2.83Å; C246-G248 VanDerWaalsContact C-N 3.28Å; C246-G248 PolarHBondContact O-N 2.78Å; C246-R249 VanDerWaalsContact O-CB 3.29Å; C246-R249 WeakPolarHBondContact O-CB 2.95Å; C246-R249 VanDerWaalsContact O-CG 3.27Å; C246-R249 WeakPolarHBondContact O-CG 3.23Å; C246-R249 PolarHBondContact O-N 3.19Å; C246-G250 PolarHBondContact SG-N 3.34Å; C246-I251 WeakPolarHBondContact CB-O 3.24Å; C246-K252 HydrophobicContact CB-CG 4.43Å
247H89.4Confident85.5Confident130 Ų13060.9 Ų60.960%0.60229%0.294SS*.THydrogen-bonded Turntrans47.248.7-177-54.2-69.4000112.6M224 C243 Y244 R249M224-H247 WeakPolarHBondContact CG-O 2.97Å; C243-H247 VanDerWaalsContact O-CA 3.23Å; C243-H247 WeakPolarHBondContact O-CA 3.41Å; C243-H247 PolarHBondContact O-N 2.77Å; Y244-H247 PolarHBondContact O-CE1 3.39Å; Y244-H247 PolarHBondContact O-ND1 3.31Å; H247-R249 VanDerWaalsContact C-N 3.29Å; H247-R249 PolarHBondContact O-N 2.84Å
248G85.8Confident86.2Confident0 Ų068.1 Ų68.10%033%0.325CS..THydrogen-bonded Turntrans82-5.2178.100000115.8G175 T222 M224 C246G175-G248 VanDerWaalsContact O-CA 3.31Å; G175-G248 WeakPolarHBondContact O-CA 3.32Å; T222-G248 WeakPolarHBondContact CB-O 3.47Å; M224-G248 WeakPolarHBondContact CG-O 3.31Å; C246-G248 VanDerWaalsContact C-N 3.28Å; C246-G248 PolarHBondContact O-N 2.78Å
249R87.4Confident86.6Confident86 Ų8668.4 Ų68.433%0.32533%0.328SS..  trans-77.4-19.7-176-58.9-166.6-74.6-167.5-2.5114.6Y218 G219 M224 C246 H247 I251Y218-R249 HydrophobicContact CD1-CB 3.99Å; Y218-R249 HydrophobicContact CD1-CG 3.64Å; Y218-R249 HydrophobicContact CE1-CG 3.86Å; G219-R249 PolarHBondContact N-O 2.87Å; M224-R249 HydrophobicContact CB-CG 4.43Å; M224-R249 HydrophobicContact CG-CG 4.14Å; C246-R249 VanDerWaalsContact O-CB 3.29Å; C246-R249 WeakPolarHBondContact O-CB 2.95Å; C246-R249 VanDerWaalsContact O-CG 3.27Å; C246-R249 WeakPolarHBondContact O-CG 3.23Å; C246-R249 PolarHBondContact O-N 3.19Å; H247-R249 VanDerWaalsContact C-N 3.29Å; H247-R249 PolarHBondContact O-N 2.84Å; R249-I251 HydrophobicContact CB-CG1 4.4Å; R249-I251 PolarHBondContact O-N 3.21Å
250G84.2Confident87Confident0 Ų065 Ų650%032%0.319CS..SBendtrans70.4-8.9-17600000115.4C168 G173 C246C168-G250 WeakPolarHBondContact CB-O 3.03Å; C168-G250 PolarHBondContact N-O 3.24Å; G173-G250 WeakPolarHBondContact CA-O 3.39Å; C246-G250 PolarHBondContact SG-N 3.34Å
251I86Confident87.1Confident4 Ų458.5 Ų58.52%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-131.1162.7-178.563.7175.4000111T165 D166 M210 S217 C246 R249T165-I251 HydrophobicContact CG2-CD1 4.13Å; D166-I251 CarbonylContact O-C 3.5Å; D166-I251 WeakPolarHBondContact O-CA 3.47Å; M210-I251 HydrophobicContact CG-CG2 4.42Å; M210-I251 HydrophobicContact SD-CD1 3.67Å; M210-I251 HydrophobicContact SD-CG2 4Å; S217-I251 WeakPolarHBondContact O-CD1 3.39Å; C246-I251 WeakPolarHBondContact CB-O 3.24Å; R249-I251 HydrophobicContact CB-CG1 4.4Å; R249-I251 PolarHBondContact O-N 3.21Å
252K86.6Confident87.3Confident63 Ų6362.5 Ų62.527%0.27431%0.305SS..EExtended strand (participates in β ladder)trans-132.2158.8174.8-71-174.2166.2-169.30109.9T165 D166 C168 M245 C246 C254T165-K252 CarbonylContact C-O 3.54Å; T165-K252 WeakPolarHBondContact CA-O 3.47Å; T165-K252 VanDerWaalsContact CB-O 3.23Å; T165-K252 WeakPolarHBondContact CB-O 3.37Å; D166-K252 PolarHBondContact N-O 2.76Å; D166-K252 PolarHBondContact O-N 3.48Å; C168-K252 HydrophobicContact CB-CG 4.36Å; M245-K252 WeakPolarHBondContact O-CE 3.28Å; C246-K252 HydrophobicContact CB-CG 4.43Å; K252-C254 PolarHBondContact O-N 3.29Å
253E87.8Confident87.5Confident134 Ų13464.6 Ų64.663%0.62631%0.313SS*.EExtended strand (participates in β ladder)trans-59.7138.8169.8-71.2176.3-169.100110.4H255E253-H255 PolarHBondContact O-N 3.24Å
254C86Confident87.7Confident0 Ų068.9 Ų68.90%034%0.341CS..  trans-68.3120.5178.4176.40000109.2C160 G164 D166 K252 H256 C257 K258 G259C160-C254 HydrophobicContact CB-CB 3.67Å; G164-C254 WeakPolarHBondContact O-CB 3.46Å; G164-C254 PolarHBondContact O-N 3.04Å; D166-C254 VanDerWaalsContact OD2-CA 3.24Å; D166-C254 WeakPolarHBondContact OD2-CA 3.45Å; D166-C254 WeakPolarHBondContact OD2-CB 3.32Å; D166-C254 PolarHBondContact OD2-SG 3.04Å; K252-C254 PolarHBondContact O-N 3.29Å; C254-H256 PolarHBondContact O-N 3.27Å; C254-C257 VanDerWaalsContact CB-SG 3.55Å; C254-C257 PolarHBondContact O-N 3.05Å; C254-K258 VanDerWaalsContact O-CA 3.28Å; C254-K258 WeakPolarHBondContact O-CA 3.24Å; C254-K258 PolarHBondContact O-N 3.11Å; C254-G259 PolarHBondContact O-N 3.25Å
255H86.9Confident88Confident161 Ų16162.4 Ų62.475%0.74532%0.316SS*.THydrogen-bonded Turntrans-61.3-31.9-178.2-177.6-96.8000111.9E253E253-H255 PolarHBondContact O-N 3.24Å
256H87Confident88.1Confident87 Ų8764.1 Ų64.140%0.40333%0.331SS..THydrogen-bonded Turntrans-74.5-36.9-176-68-77.5000113.5H159 C254 K263H159-H256 HydrophobicContact CB-CB 4.27Å; H159-H256 AromaticContact CD2-CD2 3.57Å; H159-H256 AromaticContact CD2-CG 3.36Å; H159-H256 AromaticContact CD2-ND1 3.69Å; H159-H256 AromaticContact CD2-NE2 4Å; H159-H256 AromaticContact CE1-CD2 3.95Å; H159-H256 AromaticContact CE1-CE1 3.65Å; H159-H256 AromaticContact CE1-NE2 3.62Å; H159-H256 AromaticContact CG-CD2 3.32Å; H159-H256 AromaticContact CG-CG 3.63Å; H159-H256 AromaticContact CG-NE2 3.76Å; H159-H256 AromaticContact ND1-CD2 3.59Å; H159-H256 AromaticContact ND1-NE2 3.52Å; H159-H256 AromaticContact NE2-CD2 3.96Å; H159-H256 AromaticContact NE2-CE1 3.66Å; H159-H256 AromaticContact NE2-CG 3.76Å; H159-H256 AromaticContact NE2-ND1 3.57Å; H159-H256 AromaticContact NE2-NE2 3.92Å; C254-H256 PolarHBondContact O-N 3.27Å; H256-K263 WeakPolarHBondContact O-CE 3.37Å; H256-K263 PolarHBondContact O-NZ 3.47Å
257C87.7Confident88.3Confident17 Ų1767 Ų6712%0.11535%0.351CS..THydrogen-bonded Turntrans-111.45.9179.669.30000113.6C157 C254 G259 G260 G261 K263C157-C257 HydrophobicContact CB-CB 3.76Å; C254-C257 VanDerWaalsContact CB-SG 3.55Å; C254-C257 PolarHBondContact O-N 3.05Å; C257-G259 VanDerWaalsContact C-N 3.31Å; C257-G259 PolarHBondContact O-N 3.31Å; C257-G260 PolarHBondContact O-N 2.95Å; C257-G261 PolarHBondContact SG-N 3.3Å; C257-K263 HydrophobicContact CB-CG 4.17Å
258K89.5Confident88.5Confident182 Ų18260.8 Ų60.879%0.79132%0.323SS*.THydrogen-bonded Turntrans48.948.5-179.7-56-177.5179.3-177.60112.8C254 G260C254-K258 VanDerWaalsContact O-CA 3.28Å; C254-K258 WeakPolarHBondContact O-CA 3.24Å; C254-K258 PolarHBondContact O-N 3.11Å; K258-G260 VanDerWaalsContact C-N 3.26Å; K258-G260 PolarHBondContact O-N 3.34Å
259G84.9Confident88.9Confident32 Ų3264.9 Ų64.933%0.3335%0.351SS..THydrogen-bonded Turntrans84.4-20.6-179.800000115.9G164 C254 C257 G261G164-G259 WeakPolarHBondContact CA-O 3.49Å; G164-G259 VanDerWaalsContact O-CA 3.23Å; G164-G259 WeakPolarHBondContact O-CA 3.43Å; C254-G259 PolarHBondContact O-N 3.25Å; C257-G259 VanDerWaalsContact C-N 3.31Å; C257-G259 PolarHBondContact O-N 3.31Å; G259-G261 VanDerWaalsContact C-N 3.33Å; G259-G261 PolarHBondContact O-N 3.24Å
260G85.5Confident89.1Confident57 Ų5762.4 Ų62.459%0.58835%0.353SS*.  trans-72.5-17.6-170.100000116.1C257 K258 K262C257-G260 PolarHBondContact O-N 2.95Å; K258-G260 VanDerWaalsContact C-N 3.26Å; K258-G260 PolarHBondContact O-N 3.34Å; G260-K262 PolarHBondContact O-N 3.49Å
261G86.1Confident89.4Confident2 Ų265.3 Ų65.32%0.02137%0.37CS..SBendtrans69.3-23-178.400000114.9C157 G162 G164 C257 G259C157-G261 WeakPolarHBondContact CB-O 3.33Å; C157-G261 PolarHBondContact N-O 3.04Å; G162-G261 VanDerWaalsContact CA-O 3.31Å; G162-G261 WeakPolarHBondContact CA-O 3.42Å; G164-G261 VanDerWaalsContact CA-CA 3.48Å; C257-G261 PolarHBondContact SG-N 3.3Å; G259-G261 VanDerWaalsContact C-N 3.33Å; G259-G261 PolarHBondContact O-N 3.24Å
262K90.7Very high89.7Confident112 Ų11265.2 Ų65.249%0.48737%0.37SS..EExtended strand (participates in β ladder)trans-112.8158.2175.6-71.1173.7159.3-142.20110.7D152 T154 I155 G260D152-K262 IonicContact OD1-NZ 2.87Å; D152-K262 IonicContact OD2-NZ 3.2Å; D152-K262 PolarHBondContact OD2-NZ 2.77Å; T154-K262 WeakPolarHBondContact OG1-CD 3.25Å; T154-K262 PolarHBondContact OG1-NZ 3.03Å; I155-K262 CarbonylContact O-C 3.57Å; I155-K262 WeakPolarHBondContact O-CA 3.32Å; G260-K262 PolarHBondContact O-N 3.49Å
263K92.2Very high90Very high68 Ų6863.4 Ų63.430%0.29637%0.366SS..EExtended strand (participates in β ladder)trans-132.1152.4172.8-72-169.6170-158.50109.2T154 I155 C157 H256 C257 C265T154-K263 CarbonylContact C-O 3.52Å; T154-K263 WeakPolarHBondContact CA-O 3.3Å; T154-K263 WeakPolarHBondContact CB-O 3.25Å; I155-K263 PolarHBondContact N-O 2.84Å; I155-K263 PolarHBondContact O-N 2.9Å; C157-K263 HydrophobicContact CB-CG 4.27Å; H256-K263 WeakPolarHBondContact O-CE 3.37Å; H256-K263 PolarHBondContact O-NZ 3.47Å; C257-K263 HydrophobicContact CB-CG 4.17Å; K263-C265 PolarHBondContact O-N 3.03Å
264P92.9Very high90.3Very high91 Ų9157.6 Ų57.659%0.59134%0.339SS*.EExtended strand (participates in β ladder)trans-56.7136170.725.9-33.9000109.3T266P264-T266 PolarHBondContact O-N 3.27Å
265C93.6Very high90.6Very high2 Ų260 Ų601%0.01435%0.348CS..  trans-62.9128.3174.5175.90000108.8C149 G153 I155 K263 S267 C268 S269 G270C149-C265 HydrophobicContact CB-CB 3.84Å; G153-C265 VanDerWaalsContact O-CB 3.29Å; G153-C265 WeakPolarHBondContact O-CB 3.37Å; G153-C265 PolarHBondContact O-N 3.3Å; I155-C265 HydrophobicContact CG2-CB 4.05Å; K263-C265 PolarHBondContact O-N 3.03Å; C265-S267 VanDerWaalsContact C-N 3.34Å; C265-C268 WeakPolarHBondContact CB-SG 3.42Å; C265-C268 VanDerWaalsContact SG-SG 3.61Å; C265-S269 CarbonylContact O-C 3.54Å; C265-S269 WeakPolarHBondContact O-CA 3.47Å; C265-S269 PolarHBondContact O-N 3.33Å; C265-G270 PolarHBondContact O-N 3.22Å; C265-G270 VanDerWaalsContact O-N 3.13Å
266T92.6Very high90.8Very high118 Ų11854.4 Ų54.472%0.72432%0.324SS*.THydrogen-bonded Turntrans-73.7-26.8-178.649.30000112.7P264P264-T266 PolarHBondContact O-N 3.27Å
267S92Very high90.9Very high61 Ų6151.5 Ų51.543%0.42731%0.31SS..THydrogen-bonded Turntrans-72.9-35.1-179.7-54.50000112.9C265C265-S267 VanDerWaalsContact C-N 3.34Å
268C93.8Very high91Very high0 Ų052.4 Ų52.40%032%0.315CS..THydrogen-bonded Turntrans-113.48.1177.764.30000113.3C146 C265 G270 T271 G272 S273 V274C146-C268 HydrophobicContact CB-CB 3.84Å; C265-C268 WeakPolarHBondContact CB-SG 3.42Å; C265-C268 VanDerWaalsContact SG-SG 3.61Å; C268-G270 PolarHBondContact O-N 2.85Å; C268-G270 VanDerWaalsContact O-N 3.1Å; C268-T271 WeakPolarHBondContact O-CG2 3.22Å; C268-T271 PolarHBondContact O-N 3.46Å; C268-T271 PolarHBondContact O-OG1 2.81Å; C268-G272 PolarHBondContact SG-N 3.4Å; C268-S273 VanDerWaalsContact CB-O 3.27Å; C268-S273 WeakPolarHBondContact CB-O 3.49Å; C268-V274 HydrophobicContact CB-CG1 3.89Å
269S92.8Very high91.2Very high86 Ų8648.4 Ų48.460%0.60130%0.295SS*.THydrogen-bonded Turntrans50.535.1-178-59.10000114.5C265C265-S269 CarbonylContact O-C 3.54Å; C265-S269 WeakPolarHBondContact O-CA 3.47Å; C265-S269 PolarHBondContact O-N 3.33Å
270G92.3Very high91.5Very high34 Ų3446.9 Ų46.935%0.35128%0.279SS..THydrogen-bonded Turntrans95.1-10.5179.300000116G153 C265 C268G153-G270 WeakPolarHBondContact CA-O 3.23Å; G153-G270 VanDerWaalsContact O-CA 3.23Å; G153-G270 WeakPolarHBondContact O-CA 3.42Å; C265-G270 PolarHBondContact O-N 3.22Å; C265-G270 VanDerWaalsContact O-N 3.13Å; C268-G270 PolarHBondContact O-N 2.85Å; C268-G270 VanDerWaalsContact O-N 3.1Å
271T91.8Very high92Very high60 Ų6047.8 Ų47.837%0.36827%0.267SS..SBendtrans-83.1-19.4-169.266.80000114.5C268 S273C268-T271 WeakPolarHBondContact O-CG2 3.22Å; C268-T271 PolarHBondContact O-N 3.46Å; C268-T271 PolarHBondContact O-OG1 2.81Å; T271-S273 PolarHBondContact O-N 3.24Å; T271-S273 PolarHBondContact OG1-N 3.01Å; T271-S273 PolarHBondContact OG1-O 2.89Å
272G92.3Very high92.4Very high2 Ų247.7 Ų47.72%0.02127%0.266CS..SBendtrans78.4-2.8-171.700000113.8C146 S151 C268C146-G272 WeakPolarHBondContact CB-O 2.98Å; C146-G272 PolarHBondContact N-O 2.9Å; S151-G272 WeakPolarHBondContact CA-O 3.4Å; C268-G272 PolarHBondContact SG-N 3.4Å
273S92.6Very high92.6Very high26 Ų2643.4 Ų43.418%0.18225%0.247CC..EExtended strand (participates in β ladder)trans-132.3145-177.2-580000111.8A96 N144 C268 T271A96-S273 WeakPolarHBondContact CB-O 2.89Å; A96-S273 PolarHBondContact N-O 3.33Å; A96-S273 VanDerWaalsContact N-O 3.11Å; N144-S273 WeakPolarHBondContact O-CA 3.17Å; C268-S273 VanDerWaalsContact CB-O 3.27Å; C268-S273 WeakPolarHBondContact CB-O 3.49Å; T271-S273 PolarHBondContact O-N 3.24Å; T271-S273 PolarHBondContact OG1-N 3.01Å; T271-S273 PolarHBondContact OG1-O 2.89Å
274V93.6Very high92.8Very high12 Ų1240.2 Ų40.27%0.07323%0.233CC..EExtended strand (participates in β ladder)trans-119.8149174.8-64.30000109.4T93 E94 I143 N144 C146 C268T93-V274 HydrophobicContact CG2-CB 3.72Å; T93-V274 HydrophobicContact CG2-CG1 4.19Å; T93-V274 HydrophobicContact CG2-CG2 3.96Å; E94-V274 CarbonylContact O-C 3.53Å; E94-V274 VanDerWaalsContact O-CA 3.3Å; E94-V274 WeakPolarHBondContact O-CA 3.07Å; E94-V274 WeakPolarHBondContact O-CB 3.46Å; I143-V274 WeakPolarHBondContact CA-O 3.31Å; N144-V274 HydrophobicContact CB-CG2 4.4Å; N144-V274 PolarHBondContact N-O 3.33Å; N144-V274 PolarHBondContact O-N 3.05Å; C146-V274 HydrophobicContact CB-CG1 4.05Å; C268-V274 HydrophobicContact CB-CG1 3.89Å
275R91.9Very high92.9Very high49 Ų4938.2 Ų38.219%0.18522%0.215CC..EExtended strand (participates in β ladder)trans-101.4119173.8-178.9-178178.1-136.70.4108T93 E94 E136 S141 Q142 Y277T93-R275 WeakPolarHBondContact CA-O 3.27Å; E94-R275 HydrophobicContact CG-CB 4.05Å; E94-R275 PolarHBondContact N-O 2.88Å; E94-R275 PolarHBondContact O-N 3.09Å; E94-R275 IonicContact OE1-CZ 3.89Å; E94-R275 IonicContact OE1-NH1 3.26Å; E94-R275 PolarHBondContact OE1-NH1 3.21Å; E136-R275 IonicContact OE1-CZ 2.63Å; E136-R275 IonicContact OE1-NH2 2.78Å; E136-R275 PolarHBondContact OE1-NH2 3.32Å; E136-R275 IonicContact OE2-CZ 2.68Å; E136-R275 IonicContact OE2-NH1 3.92Å; E136-R275 PolarHBondContact OE2-NH1 3Å; E136-R275 IonicContact OE2-NH2 2.91Å; E136-R275 PolarHBondContact OE2-NH2 2.94Å; S141-R275 PolarHBondContact OG-NE 3.27Å; S141-R275 PolarHBondContact OG-NH2 2.78Å; Q142-R275 WeakPolarHBondContact O-CA 3.45Å; R275-Y277 HydrophobicContact CG-CD1 4.47Å
276N90.5Very high92.9Very high45 Ų4539.6 Ų39.624%0.24122%0.222CC..EExtended strand (participates in β ladder)trans-100.8138.8172-66.9-10.9000108.9A92 T93 S141 Q142 N144A92-N276 CarbonylContact O-C 3.57Å; A92-N276 VanDerWaalsContact O-CA 3.3Å; A92-N276 WeakPolarHBondContact O-CA 3.49Å; T93-N276 WeakPolarHBondContact CB-OD1 3.47Å; T93-N276 WeakPolarHBondContact CG2-OD1 3.44Å; T93-N276 PolarHBondContact OG1-OD1 3.41Å; S141-N276 CarbonylContact C-O 3.56Å; S141-N276 WeakPolarHBondContact CA-O 3.32Å; Q142-N276 PolarHBondContact N-O 3.06Å; Q142-N276 PolarHBondContact O-N 2.81Å; N144-N276 PolarHBondContact ND2-ND2 2.89Å; N144-N276 VanDerWaalsContact ND2-ND2 3.14Å
277Y89.9Confident93Very high26 Ų2637.4 Ų37.410%0.10220%0.203CC..EExtended strand (participates in β ladder)trans-150.3158.2176.159.7-88.4000110.5A92 E94 E136 R275 R279A92-Y277 HydrophobicContact CB-CD1 4.49Å; A92-Y277 HydrophobicContact CB-CD2 4.1Å; A92-Y277 HydrophobicContact CB-CE1 4.05Å; A92-Y277 HydrophobicContact CB-CE2 3.63Å; A92-Y277 PolarHBondContact N-O 3.31Å; A92-Y277 PolarHBondContact O-N 3.18Å; E94-Y277 HydrophobicContact CG-CE1 3.93Å; E94-Y277 PolarHBondContact OE2-OH 3.44Å; E136-Y277 HydrophobicContact CB-CD2 4.05Å; E136-Y277 HydrophobicContact CB-CE2 4.36Å; E136-Y277 HydrophobicContact CG-CD2 3.66Å; E136-Y277 HydrophobicContact CG-CE2 4.42Å; E136-Y277 HydrophobicContact CG-CG 4.05Å; R275-Y277 HydrophobicContact CG-CD1 4.47Å; Y277-R279 HydrophobicContact CE2-CB 4.5Å; Y277-R279 PolarHBondContact OH-NH2 2.74Å
278T90.1Very high93.2Very high36 Ų3638.8 Ų38.822%0.22120%0.202CC..EExtended strand (participates in β ladder)trans-88.1123.2175.9-54.60000109.3T89 M137 S140T89-T278 HydrophobicContact CG2-CG2 4.09Å; M137-T278 WeakPolarHBondContact CB-O 3.18Å; M137-T278 HydrophobicContact CE-CG2 3.46Å; M137-T278 VanDerWaalsContact CE-CG2 3.46Å; M137-T278 PolarHBondContact N-O 2.88Å; M137-T278 HydrophobicContact SD-CG2 4.33Å; S140-T278 PolarHBondContact OG-N 3.22Å
279R92.8Very high93.3Very high97 Ų9739.5 Ų39.537%0.36621%0.207SC..EExtended strand (participates in β ladder)trans-92.9126.1173.5-177.1179.2-70171.61.9109.4T89 S90 A92 V134 Y277T89-R279 WeakPolarHBondContact CA-O 3.39Å; S90-R279 PolarHBondContact N-O 3.03Å; S90-R279 WeakPolarHBondContact O-CB 3.48Å; S90-R279 PolarHBondContact O-N 3.07Å; A92-R279 HydrophobicContact CB-CB 4.45Å; V134-R279 HydrophobicContact CG1-CG 3.51Å; Y277-R279 HydrophobicContact CE2-CB 4.5Å; Y277-R279 PolarHBondContact OH-NH2 2.74Å
280I92.6Very high93.4Very high0 Ų038.3 Ų38.30%019%0.192CC..EExtended strand (participates in β ladder)trans-98.8131.4171.5-61.3170.2000108.2T89 P117 F120 V134 F135 M137 V282T89-I280 HydrophobicContact CG2-CG1 4.19Å; P117-I280 HydrophobicContact CB-CD1 4.18Å; P117-I280 HydrophobicContact CB-CG1 4.39Å; F120-I280 HydrophobicContact CD2-CD1 3.96Å; F120-I280 HydrophobicContact CE2-CD1 4.22Å; V134-I280 WeakPolarHBondContact CA-O 3.37Å; F135-I280 HydrophobicContact CD1-CB 4.26Å; F135-I280 HydrophobicContact CD1-CG2 4.44Å; F135-I280 HydrophobicContact CE1-CB 3.8Å; F135-I280 HydrophobicContact CE1-CD1 4.48Å; F135-I280 HydrophobicContact CE1-CG2 3.63Å; F135-I280 HydrophobicContact CE2-CB 4.29Å; F135-I280 HydrophobicContact CE2-CD1 3.74Å; F135-I280 HydrophobicContact CZ-CB 3.82Å; F135-I280 HydrophobicContact CZ-CD1 3.64Å; F135-I280 HydrophobicContact CZ-CG1 4.33Å; F135-I280 HydrophobicContact CZ-CG2 3.8Å; F135-I280 PolarHBondContact N-O 3.17Å; F135-I280 PolarHBondContact O-N 3.19Å; M137-I280 HydrophobicContact CB-CD1 3.76Å; M137-I280 HydrophobicContact CB-CG1 4.07Å; M137-I280 HydrophobicContact CE-CD1 3.71Å; M137-I280 HydrophobicContact CE-CG1 3.79Å; M137-I280 HydrophobicContact CG-CD1 3.87Å; I280-V282 HydrophobicContact CG2-CG2 3.96Å
281K94.8Very high93.6Very high77 Ų7738.2 Ų38.234%0.33518%0.182SC..EExtended strand (participates in β ladder)trans-117.3116.9171.8-171.3162.1177.2-164.50109.1R87 S88 V132 R133 V134 Y283R87-K281 WeakPolarHBondContact CA-O 3.29Å; S88-K281 PolarHBondContact N-O 2.66Å; S88-K281 PolarHBondContact O-N 2.81Å; V132-K281 HydrophobicContact CG1-CD 4.16Å; V132-K281 VanDerWaalsContact CG1-CE 3.42Å; V132-K281 HydrophobicContact CG1-CG 3.71Å; R133-K281 CarbonylContact O-C 3.42Å; R133-K281 WeakPolarHBondContact O-CA 3.32Å; V134-K281 HydrophobicContact CG2-CB 4.4Å; V134-K281 HydrophobicContact CG2-CD 4.08Å; V134-K281 HydrophobicContact CG2-CG 3.9Å; K281-Y283 HydrophobicContact CB-CE2 4.18Å; K281-Y283 HydrophobicContact CD-CE1 4.18Å; K281-Y283 HydrophobicContact CD-CE2 4.43Å; K281-Y283 VanDerWaalsContact CD-OH 3.24Å; K281-Y283 WeakPolarHBondContact CD-OH 3.27Å; K281-Y283 WeakPolarHBondContact CE-OH 3.46Å; K281-Y283 HydrophobicContact CG-CE1 4.11Å; K281-Y283 HydrophobicContact CG-CE2 3.87Å
282V94.3Very high93.7Very high0 Ų036.3 Ų36.30%017%0.168CC..EExtended strand (participates in β ladder)trans-101.2125.4-179.8-170.90000108.4E85 A86 R87 V122 V132 R133 F135 I280 F284E85-V282 HydrophobicContact CG-CG1 3.51Å; E85-V282 WeakPolarHBondContact OE1-CG1 3.1Å; A86-V282 WeakPolarHBondContact O-CA 3.24Å; R87-V282 HydrophobicContact CG-CB 4.46Å; R87-V282 HydrophobicContact CG-CG1 4.22Å; R87-V282 HydrophobicContact CG-CG2 4.07Å; V122-V282 HydrophobicContact CB-CG2 4.39Å; V122-V282 HydrophobicContact CG1-CG2 4.29Å; V122-V282 HydrophobicContact CG2-CG2 4.15Å; V132-V282 WeakPolarHBondContact CA-O 3.23Å; R133-V282 PolarHBondContact N-O 3.3Å; R133-V282 PolarHBondContact O-N 2.73Å; F135-V282 HydrophobicContact CD1-CG2 4.45Å; F135-V282 HydrophobicContact CE1-CG2 3.7Å; I280-V282 HydrophobicContact CG2-CG2 3.96Å; V282-F284 HydrophobicContact CB-CE2 4.19Å; V282-F284 HydrophobicContact CG1-CD2 4.13Å; V282-F284 HydrophobicContact CG1-CE1 4.25Å; V282-F284 HydrophobicContact CG1-CE2 3.58Å; V282-F284 HydrophobicContact CG1-CZ 3.65Å
283Y95.3Very high93.8Very high21 Ų2136.7 Ų36.78%0.08217%0.17CC..EExtended strand (participates in β ladder)trans-107.7114.3178.1-55.8-93.7000108I8 F10 E85 A86 S88 V132 K281I8-Y283 HydrophobicContact CD1-CE1 4.46Å; F10-Y283 AromaticContact CE1-CD2 3.74Å; F10-Y283 HydrophobicContact CE1-CD2 3.74Å; F10-Y283 AromaticContact CE1-CE2 3.8Å; F10-Y283 HydrophobicContact CE1-CE2 3.8Å; F10-Y283 HydrophobicContact CE1-CG 4.49Å; E85-Y283 CarbonylContact C-O 3.49Å; E85-Y283 VanDerWaalsContact CA-O 3.3Å; E85-Y283 WeakPolarHBondContact CA-O 3.33Å; A86-Y283 PolarHBondContact N-O 3.35Å; A86-Y283 PolarHBondContact O-N 2.89Å; S88-Y283 WeakPolarHBondContact OG-CE2 3.47Å; S88-Y283 PolarHBondContact OG-OH 2.65Å; V132-Y283 HydrophobicContact CG1-CD1 4.35Å; V132-Y283 HydrophobicContact CG1-CE1 4.39Å; V132-Y283 HydrophobicContact CG2-CD1 3.88Å; V132-Y283 HydrophobicContact CG2-CE1 4.4Å; K281-Y283 HydrophobicContact CB-CE2 4.18Å; K281-Y283 HydrophobicContact CD-CE1 4.18Å; K281-Y283 HydrophobicContact CD-CE2 4.43Å; K281-Y283 VanDerWaalsContact CD-OH 3.24Å; K281-Y283 WeakPolarHBondContact CD-OH 3.27Å; K281-Y283 WeakPolarHBondContact CE-OH 3.46Å; K281-Y283 HydrophobicContact CG-CE1 4.11Å; K281-Y283 HydrophobicContact CG-CE2 3.87Å
284F95.7Very high93.6Very high1 Ų144.4 Ų44.40%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-97.4122.8167.5-60.8-84.6000108F83 T84 E85 V122 P124 D130 Q131 R133 V282 I351F83-F284 HydrophobicContact CE1-CB 4.28Å; F83-F284 AromaticContact CE1-CD1 4Å; F83-F284 HydrophobicContact CE1-CD1 4Å; F83-F284 HydrophobicContact CE2-CB 4.02Å; F83-F284 HydrophobicContact CZ-CB 3.58Å; F83-F284 HydrophobicContact CZ-CD1 4.13Å; F83-F284 HydrophobicContact CZ-CG 4.18Å; T84-F284 CarbonylContact O-C 3.53Å; T84-F284 VanDerWaalsContact O-CA 3.25Å; T84-F284 WeakPolarHBondContact O-CA 3.24Å; E85-F284 HydrophobicContact CB-CD1 4.3Å; E85-F284 HydrophobicContact CB-CE1 4.33Å; E85-F284 HydrophobicContact CG-CD1 4.24Å; E85-F284 HydrophobicContact CG-CE1 3.95Å; E85-F284 HydrophobicContact CG-CZ 4.49Å; V122-F284 HydrophobicContact CB-CZ 4.35Å; V122-F284 HydrophobicContact CG1-CE2 4.14Å; V122-F284 HydrophobicContact CG1-CZ 3.94Å; V122-F284 WeakPolarHBondContact O-CZ 3.28Å; P124-F284 HydrophobicContact CB-CD1 4.03Å; P124-F284 HydrophobicContact CB-CE1 4.03Å; P124-F284 HydrophobicContact CB-CG 4.41Å; P124-F284 HydrophobicContact CB-CZ 4.41Å; P124-F284 HydrophobicContact CG-CE1 4.41Å; D130-F284 WeakPolarHBondContact CA-O 3.33Å; Q131-F284 HydrophobicContact CG-CB 3.56Å; Q131-F284 HydrophobicContact CG-CD2 3.69Å; Q131-F284 HydrophobicContact CG-CG 3.92Å; Q131-F284 PolarHBondContact N-O 2.76Å; Q131-F284 PolarHBondContact O-N 2.81Å; R133-F284 HydrophobicContact CG-CE2 4.22Å; V282-F284 HydrophobicContact CB-CE2 4.19Å; V282-F284 HydrophobicContact CG1-CD2 4.13Å; V282-F284 HydrophobicContact CG1-CE1 4.25Å; V282-F284 HydrophobicContact CG1-CE2 3.58Å; V282-F284 HydrophobicContact CG1-CZ 3.65Å; F284-I351 HydrophobicContact CD1-CD1 3.55Å; F284-I351 HydrophobicContact CE1-CD1 3.52Å
285K94.9Very high93.5Very high49 Ų4945.7 Ų45.721%0.21321%0.213CC..EExtended strand (participates in β ladder)trans-130.6139.4-179.3-69-145.7-174.4172.10112.1Y5 F83 T84 D130Y5-K285 HydrophobicContact CE2-CD 4.05Å; Y5-K285 VanDerWaalsContact CZ-CE 3.42Å; Y5-K285 WeakPolarHBondContact OH-CD 3.44Å; Y5-K285 WeakPolarHBondContact OH-CE 3Å; Y5-K285 PolarHBondContact OH-NZ 2.74Å; F83-K285 WeakPolarHBondContact CA-O 2.84Å; T84-K285 PolarHBondContact N-O 3.37Å; T84-K285 PolarHBondContact O-N 2.64Å; T84-K285 PolarHBondContact OG1-O 3Å; D130-K285 WeakPolarHBondContact OD1-CA 3.35Å
286N95.4Very high93.4Very high31 Ų3148.6 Ų48.617%0.16623%0.229CC..EExtended strand (participates in β ladder)trans-95.1103.3170.6-174.825.1000109.9E81 F83 F128 D130E81-N286 WeakPolarHBondContact CB-OD1 3.43Å; E81-N286 PolarHBondContact OE1-ND2 3.16Å; F83-N286 HydrophobicContact CD2-CB 4.27Å; F128-N286 PolarHBondContact O-ND2 2.87Å; D130-N286 PolarHBondContact OD1-N 2.67Å
287E94.1Very high93.5Very high72 Ų7246.6 Ų46.634%0.33622%0.218SC..EExtended strand (participates in β ladder)trans-81.9120.5171.3-175.169.4-172.500109E81 S82 H340 K343E81-E287 CarbonylContact C-O 3.55Å; E81-E287 WeakPolarHBondContact CA-O 3.38Å; S82-E287 PolarHBondContact N-O 2.85Å; S82-E287 PolarHBondContact O-N 3.25Å; E287-H340 PolarHBondContact O-CE1 2.98Å; E287-K343 IonicContact OE1-NZ 3.19Å; E287-K343 PolarHBondContact OE1-NZ 3.2Å
288K95.3Very high93.6Very high90 Ų9047.9 Ų47.939%0.39123%0.23SC..EExtended strand (participates in β ladder)trans-118.1126.8-175.6-172.6-177.1-173.7-146.70110.7I79 L80 E81 E290I79-K288 HydrophobicContact CG2-CD 4.48Å; I79-K288 HydrophobicContact CG2-CG 3.94Å; L80-K288 WeakPolarHBondContact O-CA 3.36Å; E81-K288 HydrophobicContact CG-CB 4.09Å; E81-K288 HydrophobicContact CG-CD 4.44Å; E81-K288 HydrophobicContact CG-CG 3.8Å; K288-E290 HydrophobicContact CD-CG 4.31Å; K288-E290 WeakPolarHBondContact CE-OE1 3.5Å; K288-E290 HydrophobicContact CG-CG 4.07Å; K288-E290 IonicContact NZ-OE1 3.64Å; K288-E290 PolarHBondContact NZ-OE1 3.05Å; K288-E290 IonicContact NZ-OE2 3.09Å; K288-E290 PolarHBondContact NZ-OE2 3.36Å
289S96.5Very high93.6Very high16 Ų1651.9 Ų51.911%0.11225%0.246CC..EExtended strand (participates in β ladder)trans-121.4135.4170.4-64.30000109.6I79 L80 H340I79-S289 WeakPolarHBondContact CA-O 3.37Å; L80-S289 PolarHBondContact N-O 2.89Å; L80-S289 PolarHBondContact O-N 3.18Å; S289-H340 WeakPolarHBondContact CB-NE2 3.3Å; S289-H340 PolarHBondContact OG-NE2 3.09Å
290E95.8Very high93.6Very high60 Ų6055.8 Ų55.828%0.2827%0.266SS..EExtended strand (participates in β ladder)trans-130.5146.5-173.4-60.1-172.4110.600110.2H77 Y78 I79 K288 F336H77-E290 IonicContact CE1-OE1 2.64Å; H77-E290 PolarHBondContact CE1-OE1 2.87Å; H77-E290 IonicContact NE2-OE1 3.37Å; H77-E290 PolarHBondContact NE2-OE1 3.04Å; H77-E290 VanDerWaalsContact NE2-OE1 3.17Å; Y78-E290 CarbonylContact O-C 3.52Å; Y78-E290 WeakPolarHBondContact O-CA 3.36Å; I79-E290 HydrophobicContact CB-CG 4.4Å; I79-E290 HydrophobicContact CG1-CB 4.42Å; I79-E290 HydrophobicContact CG1-CG 3.8Å; I79-E290 WeakPolarHBondContact CG1-OE1 3.23Å; I79-E290 HydrophobicContact CG2-CG 4.08Å; K288-E290 HydrophobicContact CD-CG 4.31Å; K288-E290 WeakPolarHBondContact CE-OE1 3.5Å; K288-E290 HydrophobicContact CG-CG 4.07Å; K288-E290 IonicContact NZ-OE1 3.64Å; K288-E290 PolarHBondContact NZ-OE1 3.05Å; K288-E290 IonicContact NZ-OE2 3.09Å; K288-E290 PolarHBondContact NZ-OE2 3.36Å; E290-F336 WeakPolarHBondContact O-CZ 3.49Å
291H95.3Very high93.6Very high32 Ų3257.8 Ų57.815%0.14828%0.276CS..EExtended strand (participates in β ladder)trans-146.1141.4177.6-179.467.7000111.2H77 Y78 D328 M332 F336H77-H291 CarbonylContact C-O 3.48Å; H77-H291 WeakPolarHBondContact CA-O 3.26Å; Y78-H291 PolarHBondContact N-O 2.96Å; Y78-H291 PolarHBondContact O-N 3.03Å; H291-D328 IonicContact CD2-OD2 3.91Å; H291-D328 IonicContact CE1-OD2 2.86Å; H291-D328 IonicContact NE2-OD1 3.41Å; H291-D328 IonicContact NE2-OD2 2.66Å; H291-D328 PolarHBondContact NE2-OD2 3.1Å; H291-M332 HydrophobicContact CB-CB 4.4Å; H291-M332 HydrophobicContact CB-CE 4Å; H291-M332 HydrophobicContact CB-CG 4.39Å; H291-F336 HydrophobicContact CB-CE2 3.93Å; H291-F336 HydrophobicContact CB-CZ 3.92Å
292Y94.8Very high93.5Very high20 Ų2054.3 Ų54.38%0.07826%0.261CS..EExtended strand (participates in β ladder)trans-112.4130.7173.1-63.7-92.6000109.7I76 H77 E299 L302 F303 I360I76-Y292 WeakPolarHBondContact O-CA 3.38Å; H77-Y292 HydrophobicContact CB-CD1 3.77Å; H77-Y292 HydrophobicContact CB-CE1 3.57Å; H77-Y292 AromaticContact CD2-CE1 3.56Å; H77-Y292 AromaticContact CD2-CE2 3.83Å; H77-Y292 AromaticContact CD2-CZ 3.44Å; H77-Y292 VanDerWaalsContact CD2-CZ 3.44Å; H77-Y292 AromaticContact CE1-CZ 3.78Å; H77-Y292 PolarHBondContact CE1-OH 3.21Å; H77-Y292 VanDerWaalsContact CE1-OH 3.25Å; H77-Y292 AromaticContact CG-CD1 3.94Å; H77-Y292 AromaticContact CG-CE1 3.36Å; H77-Y292 AromaticContact CG-CZ 3.64Å; H77-Y292 AromaticContact ND1-CE1 3.8Å; H77-Y292 AromaticContact ND1-CZ 3.84Å; H77-Y292 AromaticContact NE2-CE2 3.93Å; H77-Y292 AromaticContact NE2-CZ 3.56Å; H77-Y292 PolarHBondContact NE2-OH 3.33Å; Y292-E299 HydrophobicContact CD2-CG 3.71Å; Y292-E299 HydrophobicContact CE2-CG 4.38Å; Y292-E299 HydrophobicContact CG-CG 4.28Å; Y292-L302 HydrophobicContact CD1-CB 3.69Å; Y292-L302 HydrophobicContact CD1-CD1 4.17Å; Y292-L302 HydrophobicContact CE1-CB 3.79Å; Y292-L302 HydrophobicContact CG-CB 4.24Å; Y292-L302 HydrophobicContact CG-CD1 4.35Å; Y292-F303 WeakPolarHBondContact OH-CA 3.27Å; Y292-I360 HydrophobicContact CD1-CD1 4Å; Y292-I360 HydrophobicContact CE1-CD1 3.7Å
293T92.8Very high93.3Very high10 Ų1060.8 Ų60.86%0.06129%0.289CS..  trans-65.8155.2173.661.20000111.5S75 I76 S295 V329S75-T293 PolarHBondContact OG-O 2.71Å; S75-T293 VanDerWaalsContact OG-O 3.13Å; I76-T293 HydrophobicContact CB-CG2 3.79Å; I76-T293 HydrophobicContact CG1-CG2 4.42Å; I76-T293 PolarHBondContact N-OG1 3.26Å; I76-T293 PolarHBondContact O-N 3.14Å; T293-S295 PolarHBondContact O-N 3.43Å; T293-V329 HydrophobicContact CG2-CG2 3.81Å
294E90.4Very high93.1Very high188 Ų18865.9 Ų65.988%0.87931%0.314SS*.  trans-49.6131.9-176.8-170.3173.1-176.200112.6
295S90.6Very high92.9Very high40 Ų4066.3 Ų66.328%0.2832%0.318SS..  trans-151151.8-178-172.10000111.1T293 I297 I362T293-S295 PolarHBondContact O-N 3.43Å; S295-I297 PolarHBondContact O-N 3.44Å; S295-I297 PolarHBondContact OG-N 2.89Å; S295-I362 VanDerWaalsContact OG-CD1 3.24Å; S295-I362 WeakPolarHBondContact OG-CD1 3.44Å
296E90.6Very high92.8Very high109 Ų10970.1 Ų70.151%0.50934%0.336SS..SBendtrans-69.1-13.3171-62.2-176.7-179.200112.3K364 Y377E296-K364 VanDerWaalsContact CD-NZ 3.28Å; E296-K364 IonicContact OE1-NZ 2.82Å; E296-K364 PolarHBondContact OE1-NZ 2.82Å; E296-K364 WeakPolarHBondContact OE2-CD 3.23Å; E296-K364 VanDerWaalsContact OE2-CE 3.27Å; E296-K364 WeakPolarHBondContact OE2-CE 3.2Å; E296-K364 IonicContact OE2-NZ 2.95Å; E296-K364 PolarHBondContact OE2-NZ 2.92Å; E296-Y377 HydrophobicContact CB-CE1 3.79Å; E296-Y377 WeakPolarHBondContact OE2-CE1 3.35Å; E296-Y377 PolarHBondContact OE2-OH 3.45Å
297I91.8Very high92.6Very high4 Ų469.6 Ų69.62%0.02134%0.339CS..SBendtrans-88.6129.7175.1-57.3-176000109.6S295 E299 L301 L302 I362 Y377 Y379 Y386S295-I297 PolarHBondContact O-N 3.44Å; S295-I297 PolarHBondContact OG-N 2.89Å; I297-E299 PolarHBondContact O-N 3.5Å; I297-L301 HydrophobicContact CG2-CB 3.89Å; I297-L301 HydrophobicContact CG2-CD1 4.22Å; I297-L302 HydrophobicContact CB-CD2 4.18Å; I297-L302 HydrophobicContact CB-CG 4.41Å; I297-L302 HydrophobicContact CG2-CD2 4.03Å; I297-L302 HydrophobicContact CG2-CG 4.15Å; I297-I362 HydrophobicContact CD1-CD1 3.91Å; I297-I362 HydrophobicContact CD1-CG1 3.96Å; I297-I362 HydrophobicContact CD1-CG2 3.78Å; I297-I362 HydrophobicContact CG1-CD1 4.43Å; I297-I362 HydrophobicContact CG1-CG2 4.46Å; I297-Y377 HydrophobicContact CD1-CD1 4.33Å; I297-Y377 HydrophobicContact CD1-CG 4.31Å; I297-Y377 HydrophobicContact CG1-CD1 4.02Å; I297-Y377 HydrophobicContact CG1-CG 4.11Å; I297-Y379 VanDerWaalsContact CD1-CB 3.44Å; I297-Y379 HydrophobicContact CD1-CD1 3.72Å; I297-Y379 HydrophobicContact CD1-CD2 4.21Å; I297-Y379 HydrophobicContact CD1-CG 3.53Å; I297-Y386 HydrophobicContact CG1-CD1 4.31Å; I297-Y386 HydrophobicContact CG2-CD1 4.4Å
298P92.3Very high92.4Very high53 Ų5370.2 Ų70.234%0.34434%0.34SS..  trans-55.4135.7175-26.433.2000113.3K300 L301 L302 Y386P298-K300 PolarHBondContact O-N 2.89Å; P298-K300 VanDerWaalsContact O-N 3.09Å; P298-L301 HydrophobicContact CG-CD1 4.43Å; P298-L301 WeakPolarHBondContact O-CB 3.33Å; P298-L301 PolarHBondContact O-N 3.5Å; P298-L302 PolarHBondContact O-N 2.77Å; P298-Y386 HydrophobicContact CG-CE1 4.32Å; P298-Y386 HydrophobicContact CG-CE2 4.5Å
299E90.1Very high92.2Very high119 Ų11969.5 Ų69.556%0.55634%0.335SS*.Hα-helixtrans-53.6-35.2-178.6-168-178.4-18000113.5Y292 I297 L301 L302 F303Y292-E299 HydrophobicContact CD2-CG 3.71Å; Y292-E299 HydrophobicContact CE2-CG 4.38Å; Y292-E299 HydrophobicContact CG-CG 4.28Å; I297-E299 PolarHBondContact O-N 3.5Å; E299-L301 PolarHBondContact O-N 3.06Å; E299-L302 WeakPolarHBondContact O-CB 3.49Å; E299-L302 PolarHBondContact O-N 2.91Å; E299-F303 PolarHBondContact O-N 3.15Å
300K91.9Very high91.9Very high180 Ų18069.2 Ų69.278%0.78333%0.332SS*.Hα-helixtrans-58.6-30.7176-64.2-177.7-178177.60113.6P298P298-K300 PolarHBondContact O-N 2.89Å; P298-K300 VanDerWaalsContact O-N 3.09Å
301L92.4Very high91.6Very high42 Ų4266.3 Ų66.322%0.2232%0.319CS..Hα-helixtrans-82.8-37176-63-179.1000111I297 P298 E299 F303 Q304 A305 Y379 Y386I297-L301 HydrophobicContact CG2-CB 3.89Å; I297-L301 HydrophobicContact CG2-CD1 4.22Å; P298-L301 HydrophobicContact CG-CD1 4.43Å; P298-L301 WeakPolarHBondContact O-CB 3.33Å; P298-L301 PolarHBondContact O-N 3.5Å; E299-L301 PolarHBondContact O-N 3.06Å; L301-F303 PolarHBondContact O-N 3.28Å; L301-Q304 PolarHBondContact O-N 3.19Å; L301-A305 PolarHBondContact O-N 3.47Å; L301-Y379 HydrophobicContact CB-CE2 4.21Å; L301-Y386 HydrophobicContact CD1-CD1 4.39Å; L301-Y386 HydrophobicContact CD1-CD2 3.32Å; L301-Y386 HydrophobicContact CD1-CE2 3.74Å; L301-Y386 HydrophobicContact CD1-CG 3.7Å
302L92.5Very high91.4Very high3 Ų368.7 Ų68.72%0.01633%0.33CS..Hα-helixtrans-61.6-33173.8-63.4176.8000111.9Y292 I297 P298 E299 Q304 A305 I360 I362 Y379Y292-L302 HydrophobicContact CD1-CB 3.69Å; Y292-L302 HydrophobicContact CD1-CD1 4.17Å; Y292-L302 HydrophobicContact CE1-CB 3.79Å; Y292-L302 HydrophobicContact CG-CB 4.24Å; Y292-L302 HydrophobicContact CG-CD1 4.35Å; I297-L302 HydrophobicContact CB-CD2 4.18Å; I297-L302 HydrophobicContact CB-CG 4.41Å; I297-L302 HydrophobicContact CG2-CD2 4.03Å; I297-L302 HydrophobicContact CG2-CG 4.15Å; P298-L302 PolarHBondContact O-N 2.77Å; E299-L302 WeakPolarHBondContact O-CB 3.49Å; E299-L302 PolarHBondContact O-N 2.91Å; L302-Q304 PolarHBondContact O-N 3.29Å; L302-A305 WeakPolarHBondContact O-CB 3.41Å; L302-A305 PolarHBondContact O-N 3.25Å; L302-I360 HydrophobicContact CB-CD1 4.46Å; L302-I360 HydrophobicContact CD2-CD1 4.4Å; L302-I360 HydrophobicContact CD2-CG2 4.19Å; L302-I362 HydrophobicContact CD2-CD1 4.37Å; L302-Y379 HydrophobicContact CD2-CD2 4.5Å
303F91.3Very high91.2Very high136 Ų13668.9 Ų68.960%0.59633%0.331SS*.THydrogen-bonded Turntrans-59.2-27.8172.8-169.2-97.6000113.9Y292 E299 L301Y292-F303 WeakPolarHBondContact OH-CA 3.27Å; E299-F303 PolarHBondContact O-N 3.15Å; L301-F303 PolarHBondContact O-N 3.28Å
304Q90.5Very high91.2Very high129 Ų12972 Ų7260%0.60335%0.345SS*.THydrogen-bonded Turntrans-94.3-5.9178.9-58.9178.113.300112.6L301 L302 Q382L301-Q304 PolarHBondContact O-N 3.19Å; L302-Q304 PolarHBondContact O-N 3.29Å; Q304-Q382 PolarHBondContact O-NE2 3.2Å
305A92.4Very high91.1Very high10 Ų1064.4 Ų64.48%0.08331%0.31CS..  trans-91.7136.8-178.700000110.6L301 L302 I360 Y379L301-A305 PolarHBondContact O-N 3.47Å; L302-A305 WeakPolarHBondContact O-CB 3.41Å; L302-A305 PolarHBondContact O-N 3.25Å; A305-I360 HydrophobicContact CB-CD1 4.39Å; A305-I360 HydrophobicContact CB-CG2 4.09Å; A305-Y379 HydrophobicContact CB-CD2 3.71Å; A305-Y379 HydrophobicContact CB-CE2 3.84Å
306E92.1Very high90.9Very high128 Ų12866.7 Ų66.760%0.59832%0.319SS*.  trans-89.6146.2168.1-53.7168.5-172.500109.5G380 T381 Q382E306-G380 CarbonylContact O-C 3.57Å; E306-G380 WeakPolarHBondContact O-CA 3.48Å; E306-T381 WeakPolarHBondContact CB-OG1 3.39Å; E306-T381 PolarHBondContact O-N 3.13Å; E306-T381 PolarHBondContact O-OG1 2.82Å; E306-Q382 VanDerWaalsContact N-NE2 3.11Å; E306-Q382 VanDerWaalsContact N-OE1 3.12Å
307G90.7Very high90.8Very high21 Ų2163.7 Ų63.722%0.21630%0.303CS..  trans-121168.3175.500000110.9A359G307-A359 CarbonylContact C-O 3.58Å; G307-A359 WeakPolarHBondContact CA-O 3.27Å
308K90.5Very high90.6Very high85 Ų8563.7 Ų63.737%0.3730%0.303SS..EExtended strand (participates in β ladder)trans-84.4133171.5-175.1177.1175.8178.30109.5D34 I310 N358 A359D34-K308 VanDerWaalsContact O-CD 3.25Å; D34-K308 WeakPolarHBondContact O-CD 3.27Å; D34-K308 WeakPolarHBondContact O-CE 3.4Å; D34-K308 PolarHBondContact O-NZ 3.24Å; K308-I310 PolarHBondContact O-N 3.28Å; K308-N358 CarbonylContact O-C 3.4Å; K308-N358 VanDerWaalsContact O-CA 3.3Å; K308-N358 WeakPolarHBondContact O-CA 3.16Å; K308-A359 PolarHBondContact N-O 3.44Å; K308-A359 PolarHBondContact O-N 3.14Å
309R91.3Very high90.5Very high75 Ų7565.5 Ų65.528%0.28331%0.309SS..EExtended strand (participates in β ladder)trans-62119.8172.7-174.764.161.293.9-5.4109.5F32 F311 E312 Y356 N358F32-R309 WeakPolarHBondContact CD2-O 3.37Å; F32-R309 HydrophobicContact CE2-CG 4.5Å; R309-F311 WeakPolarHBondContact CD-O 3.45Å; R309-E312 IonicContact CZ-OE2 2.98Å; R309-E312 IonicContact NH1-OE1 3.82Å; R309-E312 PolarHBondContact NH1-OE1 3.29Å; R309-E312 IonicContact NH1-OE2 3.37Å; R309-E312 PolarHBondContact NH1-OE2 3.01Å; R309-Y356 VanDerWaalsContact CZ-CG 3.48Å; R309-Y356 VanDerWaalsContact NH2-CE2 3.28Å; R309-N358 PolarHBondContact NE-OD1 2.79Å
310I90.3Very high90.5Very high9 Ų961.5 Ų61.55%0.04629%0.293CS..EExtended strand (participates in β ladder)trans-115.8-12.2-179.557153.4000113.8Y31 F32 I35 I76 K308 Y324 M357 A359Y31-I310 WeakPolarHBondContact CA-O 3.35Å; F32-I310 PolarHBondContact N-O 3.27Å; I35-I310 HydrophobicContact CD1-CG2 4.21Å; I35-I310 HydrophobicContact CG1-CG2 4.19Å; I76-I310 HydrophobicContact CD1-CD1 3.72Å; K308-I310 PolarHBondContact O-N 3.28Å; I310-Y324 WeakPolarHBondContact CD1-OH 3.41Å; I310-M357 HydrophobicContact CD1-CB 4.05Å; I310-M357 HydrophobicContact CG1-CB 3.78Å; I310-M357 WeakPolarHBondContact CG1-O 3.46Å; I310-M357 PolarHBondContact N-O 2.8Å; I310-A359 HydrophobicContact CB-CB 4.44Å; I310-A359 HydrophobicContact CD1-CB 4.1Å; I310-A359 HydrophobicContact CG1-CB 4.12Å; I310-A359 HydrophobicContact CG2-CB 3.52Å
311F88.6Confident90.4Very high0 Ų053.3 Ų53.30%026%0.258CS..EExtended strand (participates in β ladder)trans-157.4141.7176.6173.6-94.9000109.4M29 Y31 R309 E313 I321 H355 Y356 M357M29-F311 HydrophobicContact CB-CE2 4.24Å; M29-F311 HydrophobicContact CE-CE2 3.86Å; M29-F311 HydrophobicContact CE-CZ 4.46Å; M29-F311 HydrophobicContact CG-CE2 4.24Å; Y31-F311 HydrophobicContact CE1-CD2 4.46Å; R309-F311 WeakPolarHBondContact CD-O 3.45Å; F311-E313 HydrophobicContact CE1-CB 4.2Å; F311-E313 HydrophobicContact CZ-CB 3.84Å; F311-I321 HydrophobicContact CD1-CD1 4.15Å; F311-I321 HydrophobicContact CE1-CD1 3.65Å; F311-I321 HydrophobicContact CE1-CG1 4.41Å; F311-I321 HydrophobicContact CZ-CD1 4.09Å; F311-I321 HydrophobicContact CZ-CG1 4.47Å; F311-H355 AromaticContact CE1-CD2 3.49Å; F311-H355 VanDerWaalsContact CE1-CD2 3.49Å; F311-H355 WeakPolarHBondContact CE1-CD2 3.3Å; F311-H355 AromaticContact CE1-CE1 3.85Å; F311-H355 AromaticContact CE1-CG 3.97Å; F311-H355 AromaticContact CE1-NE2 3.41Å; F311-H355 WeakPolarHBondContact CE1-NE2 3.26Å; F311-H355 AromaticContact CZ-NE2 3.54Å; F311-Y356 CarbonylContact O-C 3.54Å; F311-Y356 WeakPolarHBondContact O-CA 3.17Å; F311-Y356 WeakPolarHBondContact O-CB 3.5Å; F311-M357 HydrophobicContact CB-CB 4.03Å; F311-M357 HydrophobicContact CB-CE 3.32Å; F311-M357 HydrophobicContact CB-CG 4.29Å; F311-M357 HydrophobicContact CD1-CE 3.72Å; F311-M357 HydrophobicContact CD1-CG 4.27Å; F311-M357 HydrophobicContact CD2-CE 4.14Å; F311-M357 HydrophobicContact CG-CE 3.46Å; F311-M357 VanDerWaalsContact CG-CE 3.46Å; F311-M357 PolarHBondContact N-O 3.28Å; F311-M357 PolarHBondContact O-N 3.35Å
312E91.6Very high90.1Very high81 Ų8154.7 Ų54.738%0.37927%0.271SS..EExtended strand (participates in β ladder)trans-154134.9171.3179.9163.6-14600109.7R309 H355R309-E312 IonicContact CZ-OE2 2.98Å; R309-E312 IonicContact NH1-OE1 3.82Å; R309-E312 PolarHBondContact NH1-OE1 3.29Å; R309-E312 IonicContact NH1-OE2 3.37Å; R309-E312 PolarHBondContact NH1-OE2 3.01Å; E312-H355 WeakPolarHBondContact CA-O 3.47Å
313E90.7Very high89.7Confident24 Ų2462.7 Ų62.711%0.11231%0.308CS..EExtended strand (participates in β ladder)trans-144.1136.2173.5170172.1-158.900108.7F311 Q315 R354 H355F311-E313 HydrophobicContact CE1-CB 4.2Å; F311-E313 HydrophobicContact CZ-CB 3.84Å; E313-Q315 HydrophobicContact CG-CG 4.38Å; E313-Q315 PolarHBondContact OE1-NE2 2.82Å; E313-R354 CarbonylContact O-C 3.5Å; E313-R354 WeakPolarHBondContact O-CA 3.48Å; E313-R354 WeakPolarHBondContact O-CB 3.44Å; E313-H355 PolarHBondContact N-O 2.66Å; E313-H355 PolarHBondContact O-N 3.31Å; E313-H355 IonicContact OE2-NE2 3.98Å; E313-H355 PolarHBondContact OE2-NE2 2.93Å
314E92.3Very high89.4Confident77 Ų7757.8 Ų57.836%0.3629%0.286SS..EExtended strand (participates in β ladder)trans-131.1124179.8179.4-176.2140.800109F128 R352 Q353 R354F128-E314 HydrophobicContact CE2-CG 4.33Å; F128-E314 HydrophobicContact CZ-CG 4.32Å; E314-R352 HydrophobicContact CG-CG 3.82Å; E314-R352 WeakPolarHBondContact OE1-CG 3.41Å; E314-R352 IonicContact OE1-CZ 3.73Å; E314-R352 IonicContact OE1-NH1 2.85Å; E314-R352 PolarHBondContact OE1-NH1 3.01Å; E314-Q353 WeakPolarHBondContact CA-O 3.38Å; E314-R354 HydrophobicContact CB-CB 3.94Å; E314-R354 HydrophobicContact CG-CB 4.12Å
315Q89.4Confident89.2Confident28 Ų2860.7 Ų60.713%0.13130%0.3CS..EExtended strand (participates in β ladder)trans-147.5160.5-179.7-71.9177.3-2.100109.4E313 Y317 I318 R352 Q353E313-Q315 HydrophobicContact CG-CG 4.38Å; E313-Q315 PolarHBondContact OE1-NE2 2.82Å; Q315-Y317 PolarHBondContact O-N 3.36Å; Q315-Y317 PolarHBondContact OE1-O 2.83Å; Q315-I318 HydrophobicContact CB-CG2 4.43Å; Q315-R352 VanDerWaalsContact C-CD 3.43Å; Q315-R352 VanDerWaalsContact O-CD 3.25Å; Q315-R352 WeakPolarHBondContact O-CD 3.37Å; Q315-Q353 PolarHBondContact N-O 3.36Å; Q315-Q353 CarbonylContact O-C 3.54Å; Q315-Q353 PolarHBondContact O-N 2.97Å
316D86.6Confident88.8Confident87 Ų8764.9 Ų64.947%0.46532%0.318SS..SBendtrans-54.2-38.9174.8-68.6-17.6000110.6R352D316-R352 IonicContact OD1-CZ 3.43Å; D316-R352 IonicContact OD1-NE 2.79Å; D316-R352 PolarHBondContact OD1-NE 3Å; D316-R352 IonicContact OD1-NH2 2.75Å; D316-R352 PolarHBondContact OD1-NH2 2.83Å
317Y86.9Confident88.7Confident47 Ų4766.4 Ų66.418%0.18433%0.325CS..SBendtrans-141.3125.9169.6-64-105.3000109.4Y16 P19 Q315 V350Y16-Y317 WeakPolarHBondContact OH-CE1 3.34Å; Y16-Y317 PolarHBondContact OH-OH 3.39Å; P19-Y317 HydrophobicContact CB-CD2 3.81Å; P19-Y317 HydrophobicContact CB-CE2 3.78Å; P19-Y317 HydrophobicContact CB-CG 4.39Å; P19-Y317 VanDerWaalsContact CD-CE1 3.41Å; P19-Y317 HydrophobicContact CG-CD1 3.65Å; P19-Y317 HydrophobicContact CG-CD2 3.28Å; P19-Y317 HydrophobicContact CG-CE1 3.78Å; P19-Y317 HydrophobicContact CG-CE2 3.43Å; P19-Y317 VanDerWaalsContact CG-CE2 3.43Å; P19-Y317 HydrophobicContact CG-CG 3.4Å; P19-Y317 VanDerWaalsContact CG-CG 3.4Å; Q315-Y317 PolarHBondContact O-N 3.36Å; Q315-Y317 PolarHBondContact OE1-O 2.83Å; Y317-V350 HydrophobicContact CD1-CB 4.34Å; Y317-V350 HydrophobicContact CD1-CG1 4.22Å; Y317-V350 HydrophobicContact CE1-CB 3.6Å; Y317-V350 HydrophobicContact CE1-CG1 3.95Å; Y317-V350 HydrophobicContact CE1-CG2 4.05Å; Y317-V350 PolarHBondContact OH-O 3.27Å
318I88.9Confident88.8Confident4 Ų467.9 Ų67.92%0.02133%0.328CS..PPolyproline II helixtrans-82.2150.4-178.468.1144.8000111.1L80 Q315 C337 Q353 H355L80-I318 HydrophobicContact CD1-CD1 3.39Å; L80-I318 HydrophobicContact CD1-CG1 3.9Å; Q315-I318 HydrophobicContact CB-CG2 4.43Å; I318-C337 VanDerWaalsContact CD1-SG 3.57Å; I318-Q353 HydrophobicContact CB-CB 4.45Å; I318-Q353 HydrophobicContact CG1-CB 4.33Å; I318-Q353 HydrophobicContact CG2-CB 3.7Å; I318-H355 HydrophobicContact CD1-CB 3.97Å; I318-H355 WeakPolarHBondContact CD1-ND1 3.37Å
319I88.9Confident88.8Confident90 Ų9063.9 Ų63.946%0.46231%0.31SS..PPolyproline II helixtrans-89.2134.9167.4-59.5173.2000107.9I321I319-I321 PolarHBondContact O-N 3.13Å
320P91.3Very high88.9Confident36 Ų3661.1 Ų61.123%0.23430%0.301CS..PPolyproline II helixtrans-56.8138.2175.3-24.332.6000112.6S322 S333 K334 C337P320-S322 PolarHBondContact O-N 2.86Å; P320-S333 WeakPolarHBondContact CA-OG 3.09Å; P320-K334 HydrophobicContact CB-CB 4.39Å; P320-K334 HydrophobicContact CB-CG 3.7Å; P320-K334 HydrophobicContact CG-CG 4.42Å; P320-C337 HydrophobicContact CG-CB 3.94Å
321I89.8Confident89.1Confident7 Ų767.4 Ų67.44%0.03633%0.328CS..PPolyproline II helixtrans-64.2130173.8-50.8179.4000108.2Y78 F311 I319 V329 N330 S333 H355 M357Y78-I321 HydrophobicContact CD2-CD1 4.28Å; Y78-I321 HydrophobicContact CE2-CD1 3.7Å; F311-I321 HydrophobicContact CD1-CD1 4.15Å; F311-I321 HydrophobicContact CE1-CD1 3.65Å; F311-I321 HydrophobicContact CE1-CG1 4.41Å; F311-I321 HydrophobicContact CZ-CD1 4.09Å; F311-I321 HydrophobicContact CZ-CG1 4.47Å; I319-I321 PolarHBondContact O-N 3.13Å; I321-V329 HydrophobicContact CD1-CG1 4.27Å; I321-N330 WeakPolarHBondContact CG2-OD1 3.36Å; I321-N330 WeakPolarHBondContact O-CA 3.28Å; I321-S333 PolarHBondContact N-OG 3.47Å; I321-H355 WeakPolarHBondContact CG1-CE1 3.35Å; I321-M357 HydrophobicContact CD1-CE 4.19Å; I321-M357 HydrophobicContact CD1-SD 4.45Å
322S84.8Confident89.4Confident71 Ų7168.7 Ų68.750%0.49733%0.334SS..  trans-131.2-13.5-174.955.90000114.9P320P320-S322 PolarHBondContact O-N 2.86Å
323Q84.6Confident89.6Confident171 Ų17164.8 Ų64.880%0.79932%0.316SS*.SBendtrans-125.520.1-173.5-60.8-176.42.200112.7N330Q323-N330 PolarHBondContact N-OD1 3.18Å
324Y85.7Confident89.7Confident34 Ų3469.1 Ų69.113%0.13334%0.335CS..  trans-76151.1174.4-167.8-113000111Y31 I76 I310 E326 V329 N330 M357Y31-Y324 HydrophobicContact CD1-CE2 4.43Å; Y31-Y324 AromaticContact CE1-CD2 3.83Å; Y31-Y324 HydrophobicContact CE1-CD2 3.83Å; Y31-Y324 AromaticContact CE1-CE2 3.79Å; Y31-Y324 HydrophobicContact CE1-CE2 3.79Å; I76-Y324 HydrophobicContact CG1-CE1 4.49Å; I310-Y324 WeakPolarHBondContact CD1-OH 3.41Å; Y324-E326 VanDerWaalsContact C-N 3.27Å; Y324-E326 HydrophobicContact CD1-CB 3.82Å; Y324-E326 HydrophobicContact CD1-CG 4.47Å; Y324-E326 HydrophobicContact CE1-CB 3.85Å; Y324-E326 HydrophobicContact CE1-CG 4.04Å; Y324-E326 PolarHBondContact O-N 2.94Å; Y324-V329 HydrophobicContact CD1-CB 3.9Å; Y324-V329 HydrophobicContact CD1-CG1 4.09Å; Y324-V329 HydrophobicContact CD1-CG2 3.99Å; Y324-V329 HydrophobicContact CE1-CG2 4.13Å; Y324-N330 WeakPolarHBondContact CB-OD1 3.46Å; Y324-N330 PolarHBondContact N-OD1 2.78Å; Y324-N330 PolarHBondContact O-ND2 3.11Å; Y324-M357 HydrophobicContact CD1-SD 4.33Å; Y324-M357 HydrophobicContact CD2-CE 3.86Å; Y324-M357 HydrophobicContact CE1-CE 4.4Å; Y324-M357 HydrophobicContact CE1-SD 4.09Å; Y324-M357 HydrophobicContact CE2-CE 3.72Å; Y324-M357 HydrophobicContact CE2-SD 4.45Å; Y324-M357 HydrophobicContact CG-CE 4.26Å
325Q85.9Confident89.9Confident189 Ų18969 Ų6988%0.88334%0.336SS*.SBendtrans-60.3-36.7-176.2-66.5179.52.100112.3
326E85.1Confident90.2Very high99 Ų9968.4 Ų68.446%0.46333%0.333SS..SBendtrans-87.2113.7175.7-67-65.8171.700111.2Y324 D328 V329Y324-E326 VanDerWaalsContact C-N 3.27Å; Y324-E326 HydrophobicContact CD1-CB 3.82Å; Y324-E326 HydrophobicContact CD1-CG 4.47Å; Y324-E326 HydrophobicContact CE1-CB 3.85Å; Y324-E326 HydrophobicContact CE1-CG 4.04Å; Y324-E326 PolarHBondContact O-N 2.94Å; E326-D328 VanDerWaalsContact C-N 3.26Å; E326-D328 PolarHBondContact O-N 2.81Å; E326-V329 HydrophobicContact CB-CG2 4.04Å; E326-V329 PolarHBondContact O-N 2.89Å
327E89.6Confident90.5Very high160 Ų16065 Ų6575%0.74832%0.316SS*.Hα-helixtrans-63.3-32.2-177.1-170.2178.717900112.7V329 N330 K331E327-V329 VanDerWaalsContact C-N 3.31Å; E327-V329 PolarHBondContact O-N 3.06Å; E327-N330 WeakPolarHBondContact O-CB 3.39Å; E327-N330 PolarHBondContact O-N 2.88Å; E327-N330 VanDerWaalsContact O-N 3.1Å; E327-K331 PolarHBondContact O-N 3.01Å
328D91.8Very high90.7Very high52 Ų5265.5 Ų65.528%0.27833%0.33SS..Hα-helixtrans-62-38.9179.9-167.432.2000111.8H291 E326 N330 K331 M332H291-D328 IonicContact CD2-OD2 3.91Å; H291-D328 IonicContact CE1-OD2 2.86Å; H291-D328 IonicContact NE2-OD1 3.41Å; H291-D328 IonicContact NE2-OD2 2.66Å; H291-D328 PolarHBondContact NE2-OD2 3.1Å; E326-D328 VanDerWaalsContact C-N 3.26Å; E326-D328 PolarHBondContact O-N 2.81Å; D328-N330 PolarHBondContact O-N 2.9Å; D328-K331 PolarHBondContact O-N 2.89Å; D328-M332 WeakPolarHBondContact O-CB 3.3Å; D328-M332 WeakPolarHBondContact O-CG 3.23Å; D328-M332 PolarHBondContact O-N 3.27Å
329V91.8Very high90.9Very high0 Ų068.6 Ų68.60%034%0.344CS..Hα-helixtrans-62.2-44.9173.4175.40000110.8I76 Y78 T293 I321 Y324 E326 E327 K331 M332 S333 M357I76-V329 HydrophobicContact CB-CG2 4.39Å; I76-V329 HydrophobicContact CG2-CG2 4.08Å; Y78-V329 HydrophobicContact CD2-CG1 4.18Å; Y78-V329 HydrophobicContact CG-CG1 4.47Å; T293-V329 HydrophobicContact CG2-CG2 3.81Å; I321-V329 HydrophobicContact CD1-CG1 4.27Å; Y324-V329 HydrophobicContact CD1-CB 3.9Å; Y324-V329 HydrophobicContact CD1-CG1 4.09Å; Y324-V329 HydrophobicContact CD1-CG2 3.99Å; Y324-V329 HydrophobicContact CE1-CG2 4.13Å; E326-V329 HydrophobicContact CB-CG2 4.04Å; E326-V329 PolarHBondContact O-N 2.89Å; E327-V329 VanDerWaalsContact C-N 3.31Å; E327-V329 PolarHBondContact O-N 3.06Å; V329-K331 VanDerWaalsContact C-N 3.3Å; V329-K331 PolarHBondContact O-N 2.93Å; V329-M332 PolarHBondContact O-N 3.3Å; V329-S333 VanDerWaalsContact O-CB 3.23Å; V329-S333 WeakPolarHBondContact O-CB 3.21Å; V329-S333 PolarHBondContact O-N 2.63Å; V329-M357 HydrophobicContact CG1-SD 3.56Å; V329-M357 VanDerWaalsContact CG1-SD 3.56Å; V329-M357 HydrophobicContact CG2-SD 4.33Å
330N92.3Very high91Very high17 Ų1764.4 Ų64.49%0.09132%0.323CS..Hα-helixtrans-62.1-40.3179.3-62-39.1000111.3I321 Q323 Y324 E327 D328 K334I321-N330 WeakPolarHBondContact CG2-OD1 3.36Å; I321-N330 WeakPolarHBondContact O-CA 3.28Å; Q323-N330 PolarHBondContact N-OD1 3.18Å; Y324-N330 WeakPolarHBondContact CB-OD1 3.46Å; Y324-N330 PolarHBondContact N-OD1 2.78Å; Y324-N330 PolarHBondContact O-ND2 3.11Å; E327-N330 WeakPolarHBondContact O-CB 3.39Å; E327-N330 PolarHBondContact O-N 2.88Å; E327-N330 VanDerWaalsContact O-N 3.1Å; D328-N330 PolarHBondContact O-N 2.9Å; N330-K334 WeakPolarHBondContact O-CG 3.48Å; N330-K334 PolarHBondContact O-N 3.45Å
331K94.7Very high90.9Very high141 Ų14165.4 Ų65.461%0.61333%0.326SS*.Hα-helixtrans-66-48.9177-178.3-175.5174.4-171.70111.6E327 D328 V329 K334 L335E327-K331 PolarHBondContact O-N 3.01Å; D328-K331 PolarHBondContact O-N 2.89Å; V329-K331 VanDerWaalsContact C-N 3.3Å; V329-K331 PolarHBondContact O-N 2.93Å; K331-K334 PolarHBondContact O-N 2.86Å; K331-L335 PolarHBondContact O-N 2.85Å
332M95.8Very high90.8Very high27 Ų2772.1 Ų72.113%0.13336%0.357CS..Hα-helixtrans-69.8-33.8-178-68.9-57.9-74.400112.4H291 D328 V329 L335 F336H291-M332 HydrophobicContact CB-CB 4.4Å; H291-M332 HydrophobicContact CB-CE 4Å; H291-M332 HydrophobicContact CB-CG 4.39Å; D328-M332 WeakPolarHBondContact O-CB 3.3Å; D328-M332 WeakPolarHBondContact O-CG 3.23Å; D328-M332 PolarHBondContact O-N 3.27Å; V329-M332 PolarHBondContact O-N 3.3Å; M332-L335 HydrophobicContact CE-CD2 4.18Å; M332-L335 PolarHBondContact O-N 2.99Å; M332-L335 HydrophobicContact SD-CD2 3.87Å; M332-F336 HydrophobicContact CE-CD1 4.36Å; M332-F336 HydrophobicContact CE-CE1 3.49Å; M332-F336 VanDerWaalsContact CE-CE1 3.49Å; M332-F336 HydrophobicContact CE-CE2 4.44Å; M332-F336 HydrophobicContact CE-CZ 3.53Å; M332-F336 WeakPolarHBondContact O-CB 3.1Å; M332-F336 WeakPolarHBondContact O-CG 3.36Å; M332-F336 PolarHBondContact O-N 2.82Å
333S94.8Very high90.9Very high0 Ų073.9 Ų73.90%036%0.356CS..Hα-helixtrans-59-48.8171.9-170.80000111.8Y78 P320 I321 V329 L335 F336 C337Y78-S333 WeakPolarHBondContact OH-CA 3.45Å; Y78-S333 WeakPolarHBondContact OH-CB 3.21Å; Y78-S333 PolarHBondContact OH-OG 3.46Å; P320-S333 WeakPolarHBondContact CA-OG 3.09Å; I321-S333 PolarHBondContact N-OG 3.47Å; V329-S333 VanDerWaalsContact O-CB 3.23Å; V329-S333 WeakPolarHBondContact O-CB 3.21Å; V329-S333 PolarHBondContact O-N 2.63Å; S333-L335 PolarHBondContact O-N 3.43Å; S333-F336 PolarHBondContact O-N 2.75Å; S333-C337 WeakPolarHBondContact O-CB 3.19Å; S333-C337 PolarHBondContact O-N 2.75Å; S333-C337 PolarHBondContact O-SG 3.24Å
334K94Very high90.9Very high115 Ų11566 Ų6650%0.532%0.319SS..Hα-helixtrans-60.2-43.7175.2-70171.5-174.9174.70112.2P320 N330 K331 A338P320-K334 HydrophobicContact CB-CB 4.39Å; P320-K334 HydrophobicContact CB-CG 3.7Å; P320-K334 HydrophobicContact CG-CG 4.42Å; N330-K334 WeakPolarHBondContact O-CG 3.48Å; N330-K334 PolarHBondContact O-N 3.45Å; K331-K334 PolarHBondContact O-N 2.86Å; K334-A338 WeakPolarHBondContact O-CB 3.39Å; K334-A338 PolarHBondContact O-N 3.47Å; K334-A338 VanDerWaalsContact O-N 3.12Å
335L95.8Very high90.7Very high75 Ų7570.1 Ų70.139%0.39334%0.341SS..Hα-helixtrans-63.2-50.4-179.8-178.166000111.7K331 M332 S333 A338 Q339K331-L335 PolarHBondContact O-N 2.85Å; M332-L335 HydrophobicContact CE-CD2 4.18Å; M332-L335 PolarHBondContact O-N 2.99Å; M332-L335 HydrophobicContact SD-CD2 3.87Å; S333-L335 PolarHBondContact O-N 3.43Å; L335-A338 PolarHBondContact O-N 2.72Å; L335-Q339 HydrophobicContact CD1-CG 4.39Å; L335-Q339 HydrophobicContact CG-CG 4.45Å; L335-Q339 WeakPolarHBondContact O-CB 3.32Å; L335-Q339 VanDerWaalsContact O-CG 3.31Å; L335-Q339 WeakPolarHBondContact O-CG 3.49Å; L335-Q339 PolarHBondContact O-N 3.2Å
336F96.2Very high90.2Very high14 Ų1463 Ų636%0.06132%0.319CS..Hα-helixtrans-65.1-40.5-178.5-70.2-10.2000111.8Y78 L80 E290 H291 M332 S333 A338 Q339 H340Y78-F336 AromaticContact CD1-CD2 3.93Å; Y78-F336 HydrophobicContact CD1-CD2 3.93Å; Y78-F336 HydrophobicContact CD1-CE2 4.04Å; Y78-F336 AromaticContact CE1-CD2 3.64Å; Y78-F336 HydrophobicContact CE1-CD2 3.64Å; Y78-F336 HydrophobicContact CE1-CE2 4.23Å; L80-F336 HydrophobicContact CB-CB 4.13Å; L80-F336 HydrophobicContact CB-CD2 4.15Å; L80-F336 VanDerWaalsContact CD2-C 3.48Å; L80-F336 HydrophobicContact CD2-CB 3.55Å; L80-F336 HydrophobicContact CG-CB 4.47Å; E290-F336 WeakPolarHBondContact O-CZ 3.49Å; H291-F336 HydrophobicContact CB-CE2 3.93Å; H291-F336 HydrophobicContact CB-CZ 3.92Å; M332-F336 HydrophobicContact CE-CD1 4.36Å; M332-F336 HydrophobicContact CE-CE1 3.49Å; M332-F336 VanDerWaalsContact CE-CE1 3.49Å; M332-F336 HydrophobicContact CE-CE2 4.44Å; M332-F336 HydrophobicContact CE-CZ 3.53Å; M332-F336 WeakPolarHBondContact O-CB 3.1Å; M332-F336 WeakPolarHBondContact O-CG 3.36Å; M332-F336 PolarHBondContact O-N 2.82Å; S333-F336 PolarHBondContact O-N 2.75Å; F336-A338 VanDerWaalsContact C-N 3.35Å; F336-A338 PolarHBondContact O-N 3.26Å; F336-Q339 PolarHBondContact O-N 3.23Å; F336-H340 WeakPolarHBondContact O-CB 3.23Å; F336-H340 PolarHBondContact O-CD2 3.21Å; F336-H340 PolarHBondContact O-N 3.23Å
337C92.3Very high90Very high17 Ų1761.5 Ų61.512%0.11532%0.316CS..Hα-helixtrans-59.4-45.4174.3-69.20000111.8I318 P320 S333 L341I318-C337 VanDerWaalsContact CD1-SG 3.57Å; P320-C337 HydrophobicContact CG-CB 3.94Å; S333-C337 WeakPolarHBondContact O-CB 3.19Å; S333-C337 PolarHBondContact O-N 2.75Å; S333-C337 PolarHBondContact O-SG 3.24Å; C337-L341 WeakPolarHBondContact O-CB 3.31Å; C337-L341 PolarHBondContact O-N 2.8Å
338A91.1Very high89.9Confident57 Ų5754.4 Ų54.447%0.47128%0.284SS..Hα-helixtrans-64.4-42.8177.500000112.2K334 L335 F336 L341 Q342K334-A338 WeakPolarHBondContact O-CB 3.39Å; K334-A338 PolarHBondContact O-N 3.47Å; K334-A338 VanDerWaalsContact O-N 3.12Å; L335-A338 PolarHBondContact O-N 2.72Å; F336-A338 VanDerWaalsContact C-N 3.35Å; F336-A338 PolarHBondContact O-N 3.26Å; A338-L341 PolarHBondContact O-N 2.92Å; A338-Q342 WeakPolarHBondContact O-CB 3.35Å; A338-Q342 PolarHBondContact O-N 3.28Å
339Q92.6Very high89.7Confident69 Ų6956.2 Ų56.232%0.32229%0.287SS..Hα-helixtrans-63.7-44.7177.4-75.2177-11.900112.3L335 F336 Q342 K343L335-Q339 HydrophobicContact CD1-CG 4.39Å; L335-Q339 HydrophobicContact CG-CG 4.45Å; L335-Q339 WeakPolarHBondContact O-CB 3.32Å; L335-Q339 VanDerWaalsContact O-CG 3.31Å; L335-Q339 WeakPolarHBondContact O-CG 3.49Å; L335-Q339 PolarHBondContact O-N 3.2Å; F336-Q339 PolarHBondContact O-N 3.23Å; Q339-Q342 PolarHBondContact O-N 3.02Å; Q339-K343 WeakPolarHBondContact O-CG 3.21Å; Q339-K343 PolarHBondContact O-N 3.08Å
340H91.9Very high89.6Confident1 Ų156.5 Ų56.51%0.00529%0.289CS..Hα-helixtrans-64.4-43.8178.4-78.1-143.5000110.7L80 S82 E287 S289 F336 Q342 K343 C344L80-H340 HydrophobicContact CD2-CB 4.45Å; S82-H340 VanDerWaalsContact CB-ND1 3.29Å; S82-H340 WeakPolarHBondContact CB-ND1 3.19Å; S82-H340 PolarHBondContact OG-ND1 3.29Å; E287-H340 PolarHBondContact O-CE1 2.98Å; S289-H340 WeakPolarHBondContact CB-NE2 3.3Å; S289-H340 PolarHBondContact OG-NE2 3.09Å; F336-H340 WeakPolarHBondContact O-CB 3.23Å; F336-H340 PolarHBondContact O-CD2 3.21Å; F336-H340 PolarHBondContact O-N 3.23Å; H340-Q342 PolarHBondContact O-N 2.82Å; H340-K343 PolarHBondContact O-N 2.95Å; H340-C344 PolarHBondContact O-N 3.29Å; H340-C344 VanDerWaalsContact O-N 3.09Å; H340-C344 PolarHBondContact O-SG 3.35Å
341L87.8Confident89.5Confident58 Ų5857.3 Ų57.330%0.30429%0.293SS..Hα-helixtrans-57.7-50174.2-178.961.7000111C337 A338 K343 C344 M345C337-L341 WeakPolarHBondContact O-CB 3.31Å; C337-L341 PolarHBondContact O-N 2.8Å; A338-L341 PolarHBondContact O-N 2.92Å; L341-K343 VanDerWaalsContact C-N 3.31Å; L341-K343 PolarHBondContact O-N 3.07Å; L341-C344 PolarHBondContact O-N 2.8Å; L341-M345 VanDerWaalsContact O-CG 3.3Å; L341-M345 WeakPolarHBondContact O-CG 3.37Å; L341-M345 PolarHBondContact O-N 2.87Å
342Q87.8Confident89.4Confident148 Ų14854 Ų5469%0.69228%0.277SS*.Hα-helixtrans-59.2-39179.6-173.2179.35.400112.8A338 Q339 H340 C344A338-Q342 WeakPolarHBondContact O-CB 3.35Å; A338-Q342 PolarHBondContact O-N 3.28Å; Q339-Q342 PolarHBondContact O-N 3.02Å; H340-Q342 PolarHBondContact O-N 2.82Å; Q342-C344 VanDerWaalsContact C-N 3.32Å
343K86.5Confident89.4Confident108 Ų10853.3 Ų53.347%0.4727%0.273SS..Hα-helixtrans-66.6-32.8175.6-74.1177.3-178.5173.60112.8E287 Q339 H340 L341E287-K343 IonicContact OE1-NZ 3.19Å; E287-K343 PolarHBondContact OE1-NZ 3.2Å; Q339-K343 WeakPolarHBondContact O-CG 3.21Å; Q339-K343 PolarHBondContact O-N 3.08Å; H340-K343 PolarHBondContact O-N 2.95Å; L341-K343 VanDerWaalsContact C-N 3.31Å; L341-K343 PolarHBondContact O-N 3.07Å
344C84.9Confident89.4Confident4 Ų456 Ų563%0.02728%0.283CS..Hα-helixtrans-82.6-28.6-177.5-61.20000113.2H340 L341 Q342 G346 V347 C348 V350H340-C344 PolarHBondContact O-N 3.29Å; H340-C344 VanDerWaalsContact O-N 3.09Å; H340-C344 PolarHBondContact O-SG 3.35Å; L341-C344 PolarHBondContact O-N 2.8Å; Q342-C344 VanDerWaalsContact C-N 3.32Å; C344-G346 PolarHBondContact O-N 3.44Å; C344-V347 PolarHBondContact O-N 3.28Å; C344-C348 VanDerWaalsContact CA-SG 3.53Å; C344-C348 PolarHBondContact O-N 3.21Å; C344-V350 HydrophobicContact CB-CG2 4.11Å
345M81.4Confident89.4Confident122 Ų12250.5 Ų50.560%0.60126%0.259SS*.THydrogen-bonded Turntrans-50.8111.6-174.9-79.8177.274.500112.7L341 V347L341-M345 VanDerWaalsContact O-CG 3.3Å; L341-M345 WeakPolarHBondContact O-CG 3.37Å; L341-M345 PolarHBondContact O-N 2.87Å; M345-V347 PolarHBondContact O-N 2.99Å
346G75.4Confident89.3Confident40 Ų4047.9 Ų47.941%0.41224%0.244SC..THydrogen-bonded Turntrans78.9-7.2176.200000115.8C344C344-G346 PolarHBondContact O-N 3.44Å
347V81.5Confident89.2Confident66 Ų6647.2 Ų47.240%0.424%0.241SC..THydrogen-bonded Turntrans-111.4-42.9-174.4-177.30000112.1F10 C344 M345F10-V347 HydrophobicContact CD2-CG1 4.34Å; C344-V347 PolarHBondContact O-N 3.28Å; M345-V347 PolarHBondContact O-N 2.99Å
348C87Confident89.2Confident12 Ų1247.6 Ų47.68%0.08124%0.242CC..  trans-145.2157.9-177.764.60000112.3I13 E85 A86 C344I13-C348 VanDerWaalsContact CD1-C 3.43Å; E85-C348 CarbonylContact O-C 3.56Å; E85-C348 VanDerWaalsContact O-CA 3.26Å; E85-C348 WeakPolarHBondContact O-CA 3.29Å; E85-C348 VanDerWaalsContact O-CB 3.23Å; E85-C348 WeakPolarHBondContact O-CB 3.45Å; A86-C348 HydrophobicContact CB-CB 3.91Å; C344-C348 VanDerWaalsContact CA-SG 3.53Å; C344-C348 PolarHBondContact O-N 3.21Å
349R87.4Confident89.3Confident89 Ų8944.9 Ų44.934%0.33622%0.22SC..EExtended strand (participates in β ladder)trans-95.9128.9175.5173173.173.9168.48.1109.1I13 Y16 T84 E85 W118 I351I13-R349 HydrophobicContact CD1-CB 4.06Å; Y16-R349 HydrophobicContact CE2-CB 4.38Å; Y16-R349 HydrophobicContact CE2-CG 4.17Å; T84-R349 CarbonylContact C-O 3.58Å; T84-R349 VanDerWaalsContact CA-O 3.25Å; T84-R349 WeakPolarHBondContact CA-O 3.26Å; E85-R349 PolarHBondContact N-O 2.87Å; E85-R349 PolarHBondContact O-N 3.44Å; E85-R349 IonicContact OE1-NH2 3.73Å; E85-R349 IonicContact OE2-CZ 3.72Å; E85-R349 IonicContact OE2-NE 2.69Å; E85-R349 PolarHBondContact OE2-NE 2.7Å; E85-R349 IonicContact OE2-NH2 3.1Å; E85-R349 PolarHBondContact OE2-NH2 3.49Å; W118-R349 HydrophobicContact CZ3-CB 4.42Å; R349-I351 PolarHBondContact O-N 3.26Å
350V90.2Very high89.3Confident6 Ų641.7 Ų41.74%0.03621%0.205CC..EExtended strand (participates in β ladder)trans-72.2125.8167.2-1790000108.9T84 Y317 C344 Q353T84-V350 HydrophobicContact CG2-CG2 4.32Å; Y317-V350 HydrophobicContact CD1-CB 4.34Å; Y317-V350 HydrophobicContact CD1-CG1 4.22Å; Y317-V350 HydrophobicContact CE1-CB 3.6Å; Y317-V350 HydrophobicContact CE1-CG1 3.95Å; Y317-V350 HydrophobicContact CE1-CG2 4.05Å; Y317-V350 PolarHBondContact OH-O 3.27Å; C344-V350 HydrophobicContact CB-CG2 4.11Å; V350-Q353 HydrophobicContact CG1-CG 3.51Å
351I90.7Very high89.4Confident35 Ų3542 Ų4218%0.17921%0.207CC..EExtended strand (participates in β ladder)trans-93.3-48.3174.6-67173.4000110F83 E85 L127 F284 R349F83-I351 HydrophobicContact CD1-CB 4.08Å; F83-I351 HydrophobicContact CD1-CD1 4.16Å; F83-I351 HydrophobicContact CD1-CG2 4.22Å; F83-I351 HydrophobicContact CE1-CD1 4.14Å; F83-I351 PolarHBondContact O-N 2.9Å; E85-I351 HydrophobicContact CB-CD1 3.7Å; E85-I351 HydrophobicContact CB-CG1 4.09Å; E85-I351 HydrophobicContact CG-CD1 4.47Å; L127-I351 HydrophobicContact CD2-CG2 4.34Å; F284-I351 HydrophobicContact CD1-CD1 3.55Å; F284-I351 HydrophobicContact CE1-CD1 3.52Å; R349-I351 PolarHBondContact O-N 3.26Å
352R92.5Very high89.6Confident72 Ų7239.4 Ų39.427%0.27219%0.193SC..EExtended strand (participates in β ladder)trans-152.7141.6-174-166.259.359.899.1-15.4109.9F83 L127 F128 E314 Q315 D316F83-R352 WeakPolarHBondContact CA-O 3.15Å; F83-R352 HydrophobicContact CB-CB 4.38Å; F83-R352 WeakPolarHBondContact CB-O 3.19Å; F83-R352 PolarHBondContact N-O 2.93Å; F83-R352 PolarHBondContact O-N 2.77Å; L127-R352 HydrophobicContact CD2-CB 4.42Å; F128-R352 HydrophobicContact CE2-CG 4.07Å; F128-R352 HydrophobicContact CZ-CB 4.18Å; F128-R352 HydrophobicContact CZ-CG 3.73Å; E314-R352 HydrophobicContact CG-CG 3.82Å; E314-R352 WeakPolarHBondContact OE1-CG 3.41Å; E314-R352 IonicContact OE1-CZ 3.73Å; E314-R352 IonicContact OE1-NH1 2.85Å; E314-R352 PolarHBondContact OE1-NH1 3.01Å; Q315-R352 VanDerWaalsContact C-CD 3.43Å; Q315-R352 VanDerWaalsContact O-CD 3.25Å; Q315-R352 WeakPolarHBondContact O-CD 3.37Å; D316-R352 IonicContact OD1-CZ 3.43Å; D316-R352 IonicContact OD1-NE 2.79Å; D316-R352 PolarHBondContact OD1-NE 3Å; D316-R352 IonicContact OD1-NH2 2.75Å; D316-R352 PolarHBondContact OD1-NH2 2.83Å
353Q94.6Very high90Very high11 Ų1132.3 Ų32.35%0.05116%0.16CC..EExtended strand (participates in β ladder)trans-123.3148172-65.2-171.7-46.200109.7E81 S82 E314 Q315 I318 V350E81-Q353 VanDerWaalsContact O-CA 3.31Å; E81-Q353 WeakPolarHBondContact O-CA 3.3Å; S82-Q353 WeakPolarHBondContact OG-CG 3.47Å; S82-Q353 PolarHBondContact OG-NE2 2.84Å; E314-Q353 WeakPolarHBondContact CA-O 3.38Å; Q315-Q353 PolarHBondContact N-O 3.36Å; Q315-Q353 CarbonylContact O-C 3.54Å; Q315-Q353 PolarHBondContact O-N 2.97Å; I318-Q353 HydrophobicContact CB-CB 4.45Å; I318-Q353 HydrophobicContact CG1-CB 4.33Å; I318-Q353 HydrophobicContact CG2-CB 3.7Å; V350-Q353 HydrophobicContact CG1-CG 3.51Å
354R94.9Very high90.3Very high57 Ų5728.7 Ų28.722%0.21515%0.145CC..EExtended strand (participates in β ladder)trans-141.8148.3167.370.8-177.7176.1-168.8-1.1109.9E81 F128 E313 E314 Y356E81-R354 HydrophobicContact CB-CG 3.97Å; E81-R354 PolarHBondContact N-O 2.86Å; E81-R354 PolarHBondContact O-N 3.31Å; E81-R354 IonicContact OE1-NH2 2.57Å; E81-R354 IonicContact OE2-CZ 2.73Å; E81-R354 IonicContact OE2-NE 3.17Å; E81-R354 PolarHBondContact OE2-NE 3.42Å; E81-R354 IonicContact OE2-NH2 3.74Å; E81-R354 PolarHBondContact OE2-NH2 3.41Å; F128-R354 HydrophobicContact CD1-CG 4.21Å; F128-R354 HydrophobicContact CE1-CB 4.19Å; F128-R354 HydrophobicContact CE1-CG 3.59Å; F128-R354 HydrophobicContact CE2-CB 4.36Å; F128-R354 HydrophobicContact CE2-CG 4.02Å; F128-R354 HydrophobicContact CZ-CB 3.71Å; F128-R354 HydrophobicContact CZ-CG 3.47Å; F128-R354 VanDerWaalsContact CZ-CG 3.47Å; E313-R354 CarbonylContact O-C 3.5Å; E313-R354 WeakPolarHBondContact O-CA 3.48Å; E313-R354 WeakPolarHBondContact O-CB 3.44Å; E314-R354 HydrophobicContact CB-CB 3.94Å; E314-R354 HydrophobicContact CG-CB 4.12Å; R354-Y356 HydrophobicContact CG-CD1 4.38Å; R354-Y356 HydrophobicContact CG-CE1 4.46Å
355H94.9Very high90.8Very high0 Ų028.5 Ų28.50%014%0.143CC..EExtended strand (participates in β ladder)trans-130149.9165.761.1177.4000110.2Y78 I79 L80 F311 E312 E313 I318 I321Y78-H355 HydrophobicContact CE2-CB 3.77Å; Y78-H355 AromaticContact CE2-ND1 3.77Å; Y78-H355 AromaticContact CZ-ND1 3.98Å; Y78-H355 PolarHBondContact OH-ND1 3.33Å; I79-H355 CarbonylContact O-C 3.53Å; I79-H355 WeakPolarHBondContact O-CA 3.27Å; I79-H355 VanDerWaalsContact O-CB 3.25Å; I79-H355 WeakPolarHBondContact O-CB 3.4Å; L80-H355 HydrophobicContact CD1-CB 4.03Å; F311-H355 AromaticContact CE1-CD2 3.49Å; F311-H355 VanDerWaalsContact CE1-CD2 3.49Å; F311-H355 WeakPolarHBondContact CE1-CD2 3.3Å; F311-H355 AromaticContact CE1-CE1 3.85Å; F311-H355 AromaticContact CE1-CG 3.97Å; F311-H355 AromaticContact CE1-NE2 3.41Å; F311-H355 WeakPolarHBondContact CE1-NE2 3.26Å; F311-H355 AromaticContact CZ-NE2 3.54Å; E312-H355 WeakPolarHBondContact CA-O 3.47Å; E313-H355 PolarHBondContact N-O 2.66Å; E313-H355 PolarHBondContact O-N 3.31Å; E313-H355 IonicContact OE2-NE2 3.98Å; E313-H355 PolarHBondContact OE2-NE2 2.93Å; I318-H355 HydrophobicContact CD1-CB 3.97Å; I318-H355 WeakPolarHBondContact CD1-ND1 3.37Å; I321-H355 WeakPolarHBondContact CG1-CE1 3.35Å
356Y93.6Very high91.4Very high20 Ų2024.8 Ų24.88%0.07812%0.124CC..EExtended strand (participates in β ladder)trans-150.5156.3179.253.5-88.5000110.2I79 E81 R309 F311 R354I79-Y356 HydrophobicContact CB-CD1 4.42Å; I79-Y356 HydrophobicContact CB-CD2 4.14Å; I79-Y356 HydrophobicContact CB-CE1 4.02Å; I79-Y356 HydrophobicContact CB-CE2 3.76Å; I79-Y356 HydrophobicContact CB-CG 4.48Å; I79-Y356 HydrophobicContact CD1-CD2 3.6Å; I79-Y356 HydrophobicContact CD1-CE2 3.27Å; I79-Y356 HydrophobicContact CG1-CD2 4.38Å; I79-Y356 HydrophobicContact CG1-CE2 3.8Å; I79-Y356 HydrophobicContact CG2-CE1 3.89Å; I79-Y356 HydrophobicContact CG2-CE2 4.24Å; I79-Y356 PolarHBondContact N-O 2.47Å; I79-Y356 PolarHBondContact O-N 2.82Å; E81-Y356 WeakPolarHBondContact OE2-CE1 3.21Å; R309-Y356 VanDerWaalsContact CZ-CG 3.48Å; R309-Y356 VanDerWaalsContact NH2-CE2 3.28Å; F311-Y356 CarbonylContact O-C 3.54Å; F311-Y356 WeakPolarHBondContact O-CA 3.17Å; F311-Y356 WeakPolarHBondContact O-CB 3.5Å; R354-Y356 HydrophobicContact CG-CD1 4.38Å; R354-Y356 HydrophobicContact CG-CE1 4.46Å
357M93.6Very high92.1Very high0 Ų023.4 Ų23.40%011%0.107CC..EExtended strand (participates in β ladder)trans-120.9130.8176.9-63.6-175.6-77.600109.8I76 H77 Y78 I310 F311 I321 Y324 V329I76-M357 HydrophobicContact CG2-CB 3.88Å; I76-M357 HydrophobicContact CG2-CG 3.99Å; I76-M357 HydrophobicContact CG2-SD 3.81Å; H77-M357 CarbonylContact O-C 3.54Å; H77-M357 VanDerWaalsContact O-CA 3.32Å; H77-M357 WeakPolarHBondContact O-CA 3.46Å; Y78-M357 HydrophobicContact CD2-CG 3.8Å; Y78-M357 HydrophobicContact CD2-SD 4.46Å; I310-M357 HydrophobicContact CD1-CB 4.05Å; I310-M357 HydrophobicContact CG1-CB 3.78Å; I310-M357 WeakPolarHBondContact CG1-O 3.46Å; I310-M357 PolarHBondContact N-O 2.8Å; F311-M357 HydrophobicContact CB-CB 4.03Å; F311-M357 HydrophobicContact CB-CE 3.32Å; F311-M357 HydrophobicContact CB-CG 4.29Å; F311-M357 HydrophobicContact CD1-CE 3.72Å; F311-M357 HydrophobicContact CD1-CG 4.27Å; F311-M357 HydrophobicContact CD2-CE 4.14Å; F311-M357 HydrophobicContact CG-CE 3.46Å; F311-M357 VanDerWaalsContact CG-CE 3.46Å; F311-M357 PolarHBondContact N-O 3.28Å; F311-M357 PolarHBondContact O-N 3.35Å; I321-M357 HydrophobicContact CD1-CE 4.19Å; I321-M357 HydrophobicContact CD1-SD 4.45Å; Y324-M357 HydrophobicContact CD1-SD 4.33Å; Y324-M357 HydrophobicContact CD2-CE 3.86Å; Y324-M357 HydrophobicContact CE1-CE 4.4Å; Y324-M357 HydrophobicContact CE1-SD 4.09Å; Y324-M357 HydrophobicContact CE2-CE 3.72Å; Y324-M357 HydrophobicContact CE2-SD 4.45Å; Y324-M357 HydrophobicContact CG-CE 4.26Å; V329-M357 HydrophobicContact CG1-SD 3.56Å; V329-M357 VanDerWaalsContact CG1-SD 3.56Å; V329-M357 HydrophobicContact CG2-SD 4.33Å
358N93.3Very high92.5Very high25 Ų2521.6 Ų21.613%0.13410%0.097CC..EExtended strand (participates in β ladder)trans-107.1124168.2-54.2-53.6000108.9H77 I79 K308 R309H77-N358 HydrophobicContact CB-CB 4.3Å; H77-N358 PolarHBondContact N-O 3.26Å; H77-N358 PolarHBondContact O-N 2.85Å; I79-N358 WeakPolarHBondContact CD1-ND2 3.46Å; K308-N358 CarbonylContact O-C 3.4Å; K308-N358 VanDerWaalsContact O-CA 3.3Å; K308-N358 WeakPolarHBondContact O-CA 3.16Å; R309-N358 PolarHBondContact NE-OD1 2.79Å
359A92.3Very high92.4Very high0 Ų022.5 Ų22.50%010%0.101CC..EExtended strand (participates in β ladder)trans-82.6119.4171.800000110.1I35 T74 I76 G307 K308 I310 P361I35-A359 HydrophobicContact CD1-CB 3.27Å; I35-A359 HydrophobicContact CG1-CB 3.68Å; T74-A359 HydrophobicContact CG2-CB 3.75Å; I76-A359 HydrophobicContact CD1-CB 4.11Å; G307-A359 CarbonylContact C-O 3.58Å; G307-A359 WeakPolarHBondContact CA-O 3.27Å; K308-A359 PolarHBondContact N-O 3.44Å; K308-A359 PolarHBondContact O-N 3.14Å; I310-A359 HydrophobicContact CB-CB 4.44Å; I310-A359 HydrophobicContact CD1-CB 4.1Å; I310-A359 HydrophobicContact CG1-CB 4.12Å; I310-A359 HydrophobicContact CG2-CB 3.52Å; A359-P361 VanDerWaalsContact O-CD 3.27Å; A359-P361 WeakPolarHBondContact O-CD 3.38Å
360I93.4Very high92.1Very high1 Ų122.4 Ų22.41%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-96104.5174.7-60.1174.6000106.7T74 S75 H77 Y292 L302 A305 I362T74-I360 WeakPolarHBondContact CA-O 3.06Å; S75-I360 PolarHBondContact N-O 2.87Å; S75-I360 WeakPolarHBondContact O-CB 3.36Å; S75-I360 PolarHBondContact O-N 3.29Å; H77-I360 HydrophobicContact CB-CD1 4.11Å; Y292-I360 HydrophobicContact CD1-CD1 4Å; Y292-I360 HydrophobicContact CE1-CD1 3.7Å; L302-I360 HydrophobicContact CB-CD1 4.46Å; L302-I360 HydrophobicContact CD2-CD1 4.4Å; L302-I360 HydrophobicContact CD2-CG2 4.19Å; A305-I360 HydrophobicContact CB-CD1 4.39Å; A305-I360 HydrophobicContact CB-CG2 4.09Å; I360-I362 HydrophobicContact CG2-CG1 4.48Å
361P92.9Very high91.6Very high8 Ų825.8 Ų25.85%0.05216%0.164CC..EExtended strand (participates in β ladder)trans-64.6138175.627.1-34.5000109.6I35 F38 A359 Y379 G380I35-P361 HydrophobicContact CG2-CB 3.87Å; F38-P361 HydrophobicContact CE1-CG 4.42Å; F38-P361 HydrophobicContact CE2-CB 3.82Å; F38-P361 HydrophobicContact CE2-CG 3.81Å; F38-P361 HydrophobicContact CZ-CB 3.91Å; F38-P361 HydrophobicContact CZ-CG 3.5Å; F38-P361 VanDerWaalsContact CZ-CG 3.5Å; A359-P361 VanDerWaalsContact O-CD 3.27Å; A359-P361 WeakPolarHBondContact O-CD 3.38Å; P361-Y379 CarbonylContact O-C 3.47Å; P361-Y379 VanDerWaalsContact O-CA 3.24Å; P361-Y379 WeakPolarHBondContact O-CA 3.49Å; P361-G380 PolarHBondContact O-N 2.84Å
362I93.4Very high91.2Very high3 Ų329.9 Ų29.92%0.01518%0.182CC..EExtended strand (participates in β ladder)trans-130.3140.4178.2-61.4171.7000108P72 S73 S295 I297 L302 I360 Y377 V378P72-I362 WeakPolarHBondContact CA-O 3.39Å; S73-I362 PolarHBondContact N-O 2.86Å; S73-I362 CarbonylContact O-C 3.58Å; S73-I362 WeakPolarHBondContact O-CA 3.44Å; S73-I362 PolarHBondContact O-N 3.18Å; S73-I362 WeakPolarHBondContact OG-CB 3.39Å; S73-I362 WeakPolarHBondContact OG-CG2 3.35Å; S295-I362 VanDerWaalsContact OG-CD1 3.24Å; S295-I362 WeakPolarHBondContact OG-CD1 3.44Å; I297-I362 HydrophobicContact CD1-CD1 3.91Å; I297-I362 HydrophobicContact CD1-CG1 3.96Å; I297-I362 HydrophobicContact CD1-CG2 3.78Å; I297-I362 HydrophobicContact CG1-CD1 4.43Å; I297-I362 HydrophobicContact CG1-CG2 4.46Å; L302-I362 HydrophobicContact CD2-CD1 4.37Å; I360-I362 HydrophobicContact CG2-CG1 4.48Å; I362-Y377 HydrophobicContact CG2-CD1 4.12Å; I362-V378 CarbonylContact C-O 3.5Å; I362-V378 WeakPolarHBondContact CA-O 3.28Å
363S94.4Very high91Very high0 Ų034.9 Ų34.90%021%0.206CC..EExtended strand (participates in β ladder)trans-135.4113.1174.2-63.50000108.7F38 Y377 V378F38-S363 WeakPolarHBondContact CB-OG 3.34Å; F38-S363 PolarHBondContact N-OG 3.16Å; S363-Y377 CarbonylContact O-C 3.56Å; S363-Y377 WeakPolarHBondContact O-CA 3.42Å; S363-V378 PolarHBondContact N-O 3.49Å; S363-V378 PolarHBondContact O-N 3.38Å
364K94.8Very high90.7Very high32 Ų3235.4 Ų35.414%0.13921%0.214CC..EExtended strand (participates in β ladder)trans-86.3112176.4177.1179.7-176.7172.50108.3I70 E71 E296 Y377I70-K364 WeakPolarHBondContact CA-O 3.34Å; E71-K364 HydrophobicContact CB-CB 4.25Å; E71-K364 PolarHBondContact N-O 2.91Å; E71-K364 PolarHBondContact O-N 3.37Å; E296-K364 VanDerWaalsContact CD-NZ 3.28Å; E296-K364 IonicContact OE1-NZ 2.82Å; E296-K364 PolarHBondContact OE1-NZ 2.82Å; E296-K364 WeakPolarHBondContact OE2-CD 3.23Å; E296-K364 VanDerWaalsContact OE2-CE 3.27Å; E296-K364 WeakPolarHBondContact OE2-CE 3.2Å; E296-K364 IonicContact OE2-NZ 2.95Å; E296-K364 PolarHBondContact OE2-NZ 2.92Å; K364-Y377 HydrophobicContact CB-CD1 4.01Å; K364-Y377 HydrophobicContact CB-CE1 3.87Å; K364-Y377 HydrophobicContact CD-CE1 3.92Å; K364-Y377 HydrophobicContact CG-CD1 4.3Å; K364-Y377 HydrophobicContact CG-CE1 3.77Å
365V94.5Very high90.6Very high0 Ų035.3 Ų35.30%022%0.218CC..EExtended strand (participates in β ladder)trans-100.8116.8-176.8-175.20000108.9C43 F67 I70 I375 F376 V378C43-V365 HydrophobicContact CB-CG2 4.01Å; F67-V365 HydrophobicContact CB-CG1 4.18Å; F67-V365 HydrophobicContact CD1-CG1 4.07Å; F67-V365 HydrophobicContact CD2-CG1 3.69Å; F67-V365 HydrophobicContact CE1-CG1 4.42Å; F67-V365 HydrophobicContact CE2-CG1 4.07Å; F67-V365 HydrophobicContact CG-CG1 3.72Å; F67-V365 HydrophobicContact CZ-CG1 4.44Å; I70-V365 HydrophobicContact CG1-CG1 4.37Å; I70-V365 HydrophobicContact CG1-CG2 4.31Å; I70-V365 HydrophobicContact CG2-CG2 4.39Å; V365-I375 WeakPolarHBondContact O-CA 3.35Å; V365-F376 HydrophobicContact CB-CD1 3.95Å; V365-F376 HydrophobicContact CB-CD2 4.4Å; V365-F376 HydrophobicContact CB-CE1 3.52Å; V365-F376 HydrophobicContact CB-CE2 4.02Å; V365-F376 HydrophobicContact CB-CG 4.37Å; V365-F376 HydrophobicContact CB-CZ 3.55Å; V365-F376 HydrophobicContact CG1-CD1 4.23Å; V365-F376 HydrophobicContact CG1-CE1 3.41Å; V365-F376 VanDerWaalsContact CG1-CE1 3.41Å; V365-F376 HydrophobicContact CG1-CZ 3.59Å; V365-F376 HydrophobicContact CG2-CE1 4.27Å; V365-F376 HydrophobicContact CG2-CE2 3.93Å; V365-F376 HydrophobicContact CG2-CZ 3.77Å; V365-F376 PolarHBondContact N-O 3.1Å; V365-F376 PolarHBondContact O-N 3.29Å; V365-F376 VanDerWaalsContact O-N 3.07Å; V365-V378 HydrophobicContact CG2-CG2 4.42Å
366H93.6Very high90.5Very high44 Ų4435.3 Ų35.320%0.20422%0.218CC..EExtended strand (participates in β ladder)trans-86125.1166.2-63-96.3000108.3D68 R69 E71D68-H366 PolarHBondContact N-O 2.82Å; R69-H366 HydrophobicContact CB-CB 4.14Å; R69-H366 PolarHBondContact N-O 2.99Å; R69-H366 PolarHBondContact NH2-NE2 2.68Å; R69-H366 PolarHBondContact O-N 2.86Å; E71-H366 IonicContact OE2-NE2 2.8Å; E71-H366 PolarHBondContact OE2-NE2 3.43Å
367F91Very high90.5Very high10 Ų1034.9 Ų34.94%0.04422%0.216CC..EExtended strand (participates in β ladder)trans-129.4153.8179.971.4-86000112M65 N66 F67 K373 G374 F376 F387 F390M65-F367 HydrophobicContact CE-CD2 4.1Å; M65-F367 HydrophobicContact CE-CE2 3.68Å; M65-F367 HydrophobicContact CE-CZ 4.26Å; M65-F367 HydrophobicContact CG-CD2 4.22Å; M65-F367 HydrophobicContact SD-CD2 4.07Å; M65-F367 HydrophobicContact SD-CE2 4.24Å; N66-F367 CarbonylContact O-C 3.55Å; N66-F367 WeakPolarHBondContact O-CA 3.23Å; N66-F367 VanDerWaalsContact O-CB 3.28Å; N66-F367 WeakPolarHBondContact O-CB 3.42Å; F67-F367 HydrophobicContact CD1-CB 4.15Å; F367-K373 WeakPolarHBondContact O-CA 3.27Å; F367-G374 WeakPolarHBondContact CD1-O 3.48Å; F367-G374 PolarHBondContact N-O 2.61Å; F367-G374 PolarHBondContact O-N 3.16Å; F367-F376 AromaticContact CD1-CD1 3.48Å; F367-F376 HydrophobicContact CD1-CD1 3.48Å; F367-F376 VanDerWaalsContact CD1-CD1 3.48Å; F367-F376 AromaticContact CD1-CE1 3.89Å; F367-F376 HydrophobicContact CD1-CE1 3.89Å; F367-F376 AromaticContact CE1-CD1 3.74Å; F367-F376 HydrophobicContact CE1-CD1 3.74Å; F367-F376 HydrophobicContact CG-CD1 4.42Å; F367-F376 HydrophobicContact CG-CE1 4.45Å; F367-F387 HydrophobicContact CE1-CE1 4.39Å; F367-F390 HydrophobicContact CZ-CE2 4.5Å
368S89.4Confident90.5Very high28 Ų2834.9 Ų34.920%0.19622%0.216CC..EExtended strand (participates in β ladder)trans-119.313817055.30000110.4N66 D68 E372N66-S368 PolarHBondContact N-O 3.29Å; N66-S368 PolarHBondContact O-N 2.76Å; D68-S368 PolarHBondContact OD1-OG 3.08Å; D68-S368 VanDerWaalsContact OD2-CB 3.24Å; D68-S368 WeakPolarHBondContact OD2-CB 3.41Å; D68-S368 PolarHBondContact OD2-N 2.77Å; D68-S368 PolarHBondContact OD2-OG 3.37Å; S368-E372 WeakPolarHBondContact CA-O 3.49Å
369L85.3Confident90.5Very high31 Ų3134.1 Ų34.116%0.16221%0.211CC..EExtended strand (participates in β ladder)trans-136.5105.5176.6179.468.8000109.1T61 K64 M65 G371 E372 L397T61-L369 HydrophobicContact CG2-CD1 3.78Å; T61-L369 HydrophobicContact CG2-CD2 3.4Å; T61-L369 HydrophobicContact CG2-CG 4.18Å; K64-L369 HydrophobicContact CB-CD1 4.01Å; M65-L369 HydrophobicContact CE-CD2 4.01Å; M65-L369 HydrophobicContact CG-CB 4.24Å; M65-L369 HydrophobicContact CG-CD1 3.91Å; M65-L369 HydrophobicContact CG-CD2 4.43Å; M65-L369 HydrophobicContact CG-CG 4.41Å; L369-G371 PolarHBondContact O-N 3.01Å; L369-E372 PolarHBondContact N-O 3.4Å; L369-E372 PolarHBondContact O-N 2.93Å; L369-L397 HydrophobicContact CD2-CD2 3.74Å
370G80.1Confident90.6Very high87 Ų8734.1 Ų34.190%0.89721%0.211SC*.THydrogen-bonded Turntrans66.5-103.8-170.900000110.4
371G79.5Confident90.4Very high78 Ų7837.1 Ų37.180%0.80423%0.23SC*.THydrogen-bonded Turntrans-115.9-7.6176.600000115L369L369-G371 PolarHBondContact O-N 3.01Å
372E82.8Confident90.3Very high120 Ų12039.3 Ų39.356%0.56124%0.239SC*.EExtended strand (participates in β ladder)trans-88.3141.4-179.5-68.3-66.8152.700110.4S368 L369 I396S368-E372 WeakPolarHBondContact CA-O 3.49Å; L369-E372 PolarHBondContact N-O 3.4Å; L369-E372 PolarHBondContact O-N 2.93Å; E372-I396 HydrophobicContact CG-CG2 4.27Å
373K88.1Confident90.3Very high177 Ų17741.8 Ų41.877%0.7725%0.25SS*.EExtended strand (participates in β ladder)trans-112138.6174.8-66.2-175.7-180-177.60109.7F367F367-K373 WeakPolarHBondContact O-CA 3.27Å
374G88.9Confident90.2Very high22 Ų2243.2 Ų43.223%0.22726%0.258CS..EExtended strand (participates in β ladder)trans-143171.3-179.900000112.6F367F367-G374 WeakPolarHBondContact CD1-O 3.48Å; F367-G374 PolarHBondContact N-O 2.61Å; F367-G374 PolarHBondContact O-N 3.16Å
375I92.2Very high90.1Very high56 Ų5642.3 Ų42.329%0.28726%0.255SS..EExtended strand (participates in β ladder)trans-128.3142.5173.160.1174.9000109.8V365 Y377 P388V365-I375 WeakPolarHBondContact O-CA 3.35Å; I375-Y377 HydrophobicContact CD1-CE2 4.3Å; I375-P388 HydrophobicContact CD1-CG 4.34Å; I375-P388 HydrophobicContact CG1-CG 4.44Å
376F92.8Very high90Very high0 Ų044.9 Ų44.90%027%0.265CS..EExtended strand (participates in β ladder)trans-142.5164.9164.474.2-87000109.6L47 F67 V365 F367 V378 Y386 F387L47-F376 HydrophobicContact CB-CE2 4.47Å; L47-F376 HydrophobicContact CD2-CE1 4.26Å; L47-F376 HydrophobicContact CD2-CZ 4.02Å; F67-F376 HydrophobicContact CE1-CE1 4.04Å; F67-F376 HydrophobicContact CE1-CZ 4.09Å; F67-F376 HydrophobicContact CE2-CZ 4.02Å; F67-F376 HydrophobicContact CZ-CE1 4.05Å; F67-F376 AromaticContact CZ-CZ 3.61Å; F67-F376 HydrophobicContact CZ-CZ 3.61Å; V365-F376 HydrophobicContact CB-CD1 3.95Å; V365-F376 HydrophobicContact CB-CD2 4.4Å; V365-F376 HydrophobicContact CB-CE1 3.52Å; V365-F376 HydrophobicContact CB-CE2 4.02Å; V365-F376 HydrophobicContact CB-CG 4.37Å; V365-F376 HydrophobicContact CB-CZ 3.55Å; V365-F376 HydrophobicContact CG1-CD1 4.23Å; V365-F376 HydrophobicContact CG1-CE1 3.41Å; V365-F376 VanDerWaalsContact CG1-CE1 3.41Å; V365-F376 HydrophobicContact CG1-CZ 3.59Å; V365-F376 HydrophobicContact CG2-CE1 4.27Å; V365-F376 HydrophobicContact CG2-CE2 3.93Å; V365-F376 HydrophobicContact CG2-CZ 3.77Å; V365-F376 PolarHBondContact N-O 3.1Å; V365-F376 PolarHBondContact O-N 3.29Å; V365-F376 VanDerWaalsContact O-N 3.07Å; F367-F376 AromaticContact CD1-CD1 3.48Å; F367-F376 HydrophobicContact CD1-CD1 3.48Å; F367-F376 VanDerWaalsContact CD1-CD1 3.48Å; F367-F376 AromaticContact CD1-CE1 3.89Å; F367-F376 HydrophobicContact CD1-CE1 3.89Å; F367-F376 AromaticContact CE1-CD1 3.74Å; F367-F376 HydrophobicContact CE1-CD1 3.74Å; F367-F376 HydrophobicContact CG-CD1 4.42Å; F367-F376 HydrophobicContact CG-CE1 4.45Å; F376-V378 HydrophobicContact CD2-CG2 4.07Å; F376-V378 HydrophobicContact CE2-CG2 3.55Å; F376-Y386 CarbonylContact C-O 3.56Å; F376-Y386 WeakPolarHBondContact CA-O 3.34Å; F376-Y386 WeakPolarHBondContact CB-O 3.33Å; F376-F387 HydrophobicContact CB-CD1 3.47Å; F376-F387 VanDerWaalsContact CB-CD1 3.47Å; F376-F387 HydrophobicContact CB-CD2 4.17Å; F376-F387 HydrophobicContact CB-CE1 3.34Å; F376-F387 HydrophobicContact CB-CE2 4.03Å; F376-F387 HydrophobicContact CB-CG 3.89Å; F376-F387 HydrophobicContact CB-CZ 3.63Å; F376-F387 HydrophobicContact CD1-CE1 4.09Å; F376-F387 HydrophobicContact CD1-CZ 4.26Å; F376-F387 HydrophobicContact CD2-CZ 4.21Å; F376-F387 HydrophobicContact CG-CD1 4.44Å; F376-F387 AromaticContact CG-CE1 3.83Å; F376-F387 HydrophobicContact CG-CE1 3.83Å; F376-F387 HydrophobicContact CG-CE2 4.41Å; F376-F387 AromaticContact CG-CZ 3.8Å; F376-F387 HydrophobicContact CG-CZ 3.8Å
377Y93.9Very high89.8Confident10 Ų1044.2 Ų44.24%0.03926%0.262CS..EExtended strand (participates in β ladder)trans-118.6139.3-176.9-58.7-102.9000108.5E296 I297 I362 S363 K364 I375 C385 Y386 P388E296-Y377 HydrophobicContact CB-CE1 3.79Å; E296-Y377 WeakPolarHBondContact OE2-CE1 3.35Å; E296-Y377 PolarHBondContact OE2-OH 3.45Å; I297-Y377 HydrophobicContact CD1-CD1 4.33Å; I297-Y377 HydrophobicContact CD1-CG 4.31Å; I297-Y377 HydrophobicContact CG1-CD1 4.02Å; I297-Y377 HydrophobicContact CG1-CG 4.11Å; I362-Y377 HydrophobicContact CG2-CD1 4.12Å; S363-Y377 CarbonylContact O-C 3.56Å; S363-Y377 WeakPolarHBondContact O-CA 3.42Å; K364-Y377 HydrophobicContact CB-CD1 4.01Å; K364-Y377 HydrophobicContact CB-CE1 3.87Å; K364-Y377 HydrophobicContact CD-CE1 3.92Å; K364-Y377 HydrophobicContact CG-CD1 4.3Å; K364-Y377 HydrophobicContact CG-CE1 3.77Å; I375-Y377 HydrophobicContact CD1-CE2 4.3Å; Y377-C385 CarbonylContact O-C 3.57Å; Y377-C385 VanDerWaalsContact O-CA 3.24Å; Y377-C385 WeakPolarHBondContact O-CA 3.09Å; Y377-Y386 AromaticContact CD2-CD1 3.76Å; Y377-Y386 HydrophobicContact CD2-CD1 3.76Å; Y377-Y386 HydrophobicContact CD2-CE1 4.35Å; Y377-Y386 HydrophobicContact CE2-CD1 4.44Å; Y377-Y386 HydrophobicContact CG-CD1 4.27Å; Y377-Y386 PolarHBondContact N-O 2.93Å; Y377-Y386 PolarHBondContact O-N 3.49Å; Y377-P388 HydrophobicContact CD2-CG 3.99Å; Y377-P388 HydrophobicContact CE2-CG 3.36Å
378V94.1Very high89.3Confident0 Ų045.7 Ų45.70%027%0.272CS..EExtended strand (participates in β ladder)trans-110.1126.8165.3-176.30000107.3F38 C43 A46 I362 S363 V365 F376 K383 L384F38-V378 HydrophobicContact CD2-CB 4.3Å; F38-V378 HydrophobicContact CD2-CG1 3.89Å; F38-V378 HydrophobicContact CE2-CG1 4.21Å; F38-V378 HydrophobicContact CG-CG1 4.41Å; C43-V378 HydrophobicContact CB-CG2 4.11Å; A46-V378 HydrophobicContact CB-CG1 3.77Å; A46-V378 HydrophobicContact CB-CG2 4.27Å; I362-V378 CarbonylContact C-O 3.5Å; I362-V378 WeakPolarHBondContact CA-O 3.28Å; S363-V378 PolarHBondContact N-O 3.49Å; S363-V378 PolarHBondContact O-N 3.38Å; V365-V378 HydrophobicContact CG2-CG2 4.42Å; F376-V378 HydrophobicContact CD2-CG2 4.07Å; F376-V378 HydrophobicContact CE2-CG2 3.55Å; V378-K383 HydrophobicContact CG1-CB 4.02Å; V378-L384 CarbonylContact C-O 3.53Å; V378-L384 VanDerWaalsContact CA-O 3.24Å; V378-L384 WeakPolarHBondContact CA-O 3.47Å
379Y93.8Very high88.4Confident9 Ų951.5 Ų51.54%0.03530%0.301CS..EExtended strand (participates in β ladder)trans-145.6155.2-172.367.3-77.3000114.1I297 L301 L302 A305 P361 L384I297-Y379 VanDerWaalsContact CD1-CB 3.44Å; I297-Y379 HydrophobicContact CD1-CD1 3.72Å; I297-Y379 HydrophobicContact CD1-CD2 4.21Å; I297-Y379 HydrophobicContact CD1-CG 3.53Å; L301-Y379 HydrophobicContact CB-CE2 4.21Å; L302-Y379 HydrophobicContact CD2-CD2 4.5Å; A305-Y379 HydrophobicContact CB-CD2 3.71Å; A305-Y379 HydrophobicContact CB-CE2 3.84Å; P361-Y379 CarbonylContact O-C 3.47Å; P361-Y379 VanDerWaalsContact O-CA 3.24Å; P361-Y379 WeakPolarHBondContact O-CA 3.49Å; Y379-L384 HydrophobicContact CD1-CB 4.1Å; Y379-L384 VanDerWaalsContact CD1-O 3.23Å; Y379-L384 WeakPolarHBondContact CD1-O 3.23Å; Y379-L384 HydrophobicContact CD2-CB 4.4Å; Y379-L384 HydrophobicContact CE1-CB 3.61Å; Y379-L384 HydrophobicContact CE2-CB 3.97Å; Y379-L384 HydrophobicContact CE2-CD1 3.9Å; Y379-L384 HydrophobicContact CG-CB 4.45Å; Y379-L384 PolarHBondContact N-O 3.13Å; Y379-L384 PolarHBondContact O-N 2.92Å
380G92.9Very high87.1Confident0 Ų053.8 Ų53.80%031%0.31CS..THydrogen-bonded Turntrans72.1159.1-178.700000113.2F38 E306 P361 Q382 K383F38-G380 WeakPolarHBondContact CZ-O 3.42Å; E306-G380 CarbonylContact O-C 3.57Å; E306-G380 WeakPolarHBondContact O-CA 3.48Å; P361-G380 PolarHBondContact O-N 2.84Å; G380-Q382 PolarHBondContact O-N 2.96Å; G380-K383 PolarHBondContact O-N 3.22Å
381T90.4Very high85.5Confident65 Ų6553.1 Ų53.140%0.39929%0.29SS..THydrogen-bonded Turntrans-61.4-27.8-179.9530000112.4E306 K383E306-T381 WeakPolarHBondContact CB-OG1 3.39Å; E306-T381 PolarHBondContact O-N 3.13Å; E306-T381 PolarHBondContact O-OG1 2.82Å; T381-K383 PolarHBondContact O-N 3.02Å
382Q90.9Very high84Confident53 Ų5355.7 Ų55.725%0.24830%0.295CS..THydrogen-bonded Turntrans-74.1-2.2171.256.6-107.739.800115.7Q304 E306 G380 L384Q304-Q382 PolarHBondContact O-NE2 3.2Å; E306-Q382 VanDerWaalsContact N-NE2 3.11Å; E306-Q382 VanDerWaalsContact N-OE1 3.12Å; G380-Q382 PolarHBondContact O-N 2.96Å; Q382-L384 HydrophobicContact CG-CD1 3.92Å; Q382-L384 HydrophobicContact CG-CD2 3.96Å; Q382-L384 HydrophobicContact CG-CG 3.56Å
383K92.7Very high82.1Confident56 Ų5658 Ų5824%0.24330%0.304CS..THydrogen-bonded Turntrans55.356.5179.3-50.8173.1-177.3174.40112.9F38 E42 E45 A46 V378 G380 T381F38-K383 HydrophobicContact CD1-CG 4.38Å; F38-K383 HydrophobicContact CE1-CG 3.9Å; F38-K383 HydrophobicContact CZ-CG 4.18Å; E42-K383 HydrophobicContact CB-CD 4.42Å; E45-K383 IonicContact OE2-NZ 2.74Å; E45-K383 PolarHBondContact OE2-NZ 2.95Å; A46-K383 HydrophobicContact CB-CB 3.81Å; A46-K383 WeakPolarHBondContact CB-O 3.27Å; V378-K383 HydrophobicContact CG1-CB 4.02Å; G380-K383 PolarHBondContact O-N 3.22Å; T381-K383 PolarHBondContact O-N 3.02Å
384L93.1Very high80Confident30 Ų3052.9 Ų52.916%0.15729%0.289CS..EExtended strand (participates in β ladder)trans-74.5151.7174.8-62.5175.1000110.7V378 Y379 Q382V378-L384 CarbonylContact C-O 3.53Å; V378-L384 VanDerWaalsContact CA-O 3.24Å; V378-L384 WeakPolarHBondContact CA-O 3.47Å; Y379-L384 HydrophobicContact CD1-CB 4.1Å; Y379-L384 VanDerWaalsContact CD1-O 3.23Å; Y379-L384 WeakPolarHBondContact CD1-O 3.23Å; Y379-L384 HydrophobicContact CD2-CB 4.4Å; Y379-L384 HydrophobicContact CE1-CB 3.61Å; Y379-L384 HydrophobicContact CE2-CB 3.97Å; Y379-L384 HydrophobicContact CE2-CD1 3.9Å; Y379-L384 HydrophobicContact CG-CB 4.45Å; Y379-L384 PolarHBondContact N-O 3.13Å; Y379-L384 PolarHBondContact O-N 2.92Å; Q382-L384 HydrophobicContact CG-CD1 3.92Å; Q382-L384 HydrophobicContact CG-CD2 3.96Å; Q382-L384 HydrophobicContact CG-CG 3.56Å
385C92.9Very high77.8Confident13 Ų1357.9 Ų57.99%0.08832%0.315CS..EExtended strand (participates in β ladder)trans-109.6139.7177-65.60000111.8A46 E50 Y377 F387A46-C385 VanDerWaalsContact C-SG 3.57Å; E50-C385 HydrophobicContact CB-CB 4Å; E50-C385 HydrophobicContact CG-CB 3.93Å; Y377-C385 CarbonylContact O-C 3.57Å; Y377-C385 VanDerWaalsContact O-CA 3.24Å; Y377-C385 WeakPolarHBondContact O-CA 3.09Å; C385-F387 HydrophobicContact CB-CE2 4.21Å
386Y91.1Very high75.3Confident53 Ų5360 Ų6021%0.20833%0.326CS..EExtended strand (participates in β ladder)trans-131.7135.6174.3168.6-119000110.9I297 P298 L301 F376 Y377 P388I297-Y386 HydrophobicContact CG1-CD1 4.31Å; I297-Y386 HydrophobicContact CG2-CD1 4.4Å; P298-Y386 HydrophobicContact CG-CE1 4.32Å; P298-Y386 HydrophobicContact CG-CE2 4.5Å; L301-Y386 HydrophobicContact CD1-CD1 4.39Å; L301-Y386 HydrophobicContact CD1-CD2 3.32Å; L301-Y386 HydrophobicContact CD1-CE2 3.74Å; L301-Y386 HydrophobicContact CD1-CG 3.7Å; F376-Y386 CarbonylContact C-O 3.56Å; F376-Y386 WeakPolarHBondContact CA-O 3.34Å; F376-Y386 WeakPolarHBondContact CB-O 3.33Å; Y377-Y386 AromaticContact CD2-CD1 3.76Å; Y377-Y386 HydrophobicContact CD2-CD1 3.76Å; Y377-Y386 HydrophobicContact CD2-CE1 4.35Å; Y377-Y386 HydrophobicContact CE2-CD1 4.44Å; Y377-Y386 HydrophobicContact CG-CD1 4.27Å; Y377-Y386 PolarHBondContact N-O 2.93Å; Y377-Y386 PolarHBondContact O-N 3.49Å; Y386-P388 HydrophobicContact CD1-CG 4.37Å; Y386-P388 HydrophobicContact CE1-CB 4.22Å; Y386-P388 HydrophobicContact CE1-CG 3.8Å
387F89.4Confident73.1Confident31 Ų3162.6 Ų62.614%0.13634%0.34CS..  trans-122.5112178.1-70.1-101.9000109.6L47 W57 F367 F376 C385 F390L47-F387 HydrophobicContact CD1-CE2 4.11Å; L47-F387 HydrophobicContact CD1-CZ 3.6Å; W57-F387 AromaticContact CH2-CD2 3.74Å; W57-F387 HydrophobicContact CH2-CD2 3.74Å; W57-F387 AromaticContact CH2-CE2 3.47Å; W57-F387 HydrophobicContact CH2-CE2 3.47Å; W57-F387 VanDerWaalsContact CH2-CE2 3.47Å; W57-F387 HydrophobicContact CH2-CZ 4.16Å; W57-F387 AromaticContact CZ3-CE2 3.79Å; W57-F387 HydrophobicContact CZ3-CE2 3.79Å; W57-F387 HydrophobicContact CZ3-CZ 4.21Å; F367-F387 HydrophobicContact CE1-CE1 4.39Å; F376-F387 HydrophobicContact CB-CD1 3.47Å; F376-F387 VanDerWaalsContact CB-CD1 3.47Å; F376-F387 HydrophobicContact CB-CD2 4.17Å; F376-F387 HydrophobicContact CB-CE1 3.34Å; F376-F387 HydrophobicContact CB-CE2 4.03Å; F376-F387 HydrophobicContact CB-CG 3.89Å; F376-F387 HydrophobicContact CB-CZ 3.63Å; F376-F387 HydrophobicContact CD1-CE1 4.09Å; F376-F387 HydrophobicContact CD1-CZ 4.26Å; F376-F387 HydrophobicContact CD2-CZ 4.21Å; F376-F387 HydrophobicContact CG-CD1 4.44Å; F376-F387 AromaticContact CG-CE1 3.83Å; F376-F387 HydrophobicContact CG-CE1 3.83Å; F376-F387 HydrophobicContact CG-CE2 4.41Å; F376-F387 AromaticContact CG-CZ 3.8Å; F376-F387 HydrophobicContact CG-CZ 3.8Å; C385-F387 HydrophobicContact CB-CE2 4.21Å; F387-F390 HydrophobicContact CB-CB 3.84Å; F387-F390 HydrophobicContact CD1-CB 4.42Å; F387-F390 AromaticContact CD1-CD2 3.9Å; F387-F390 HydrophobicContact CD1-CD2 3.9Å; F387-F390 HydrophobicContact CD1-CG 4.32Å; F387-F390 HydrophobicContact CE1-CD2 4.47Å; F387-F390 HydrophobicContact CG-CB 4.41Å
388P81.9Confident72.1Confident40 Ų4065.2 Ų65.226%0.2636%0.355SS..THydrogen-bonded Turntrans-67.5-40.4-175.3-18.126.9000114.5I375 Y377 Y386I375-P388 HydrophobicContact CD1-CG 4.34Å; I375-P388 HydrophobicContact CG1-CG 4.44Å; Y377-P388 HydrophobicContact CD2-CG 3.99Å; Y377-P388 HydrophobicContact CE2-CG 3.36Å; Y386-P388 HydrophobicContact CD1-CG 4.37Å; Y386-P388 HydrophobicContact CE1-CB 4.22Å; Y386-P388 HydrophobicContact CE1-CG 3.8Å
389N69.3Low70.9Confident151 Ų15168.6 Ų68.681%0.80737%0.373SS*.THydrogen-bonded Turntrans-125.334.4-167.7-69.7-29000112.9
390F59.1Low69.6Low79 Ų7971.9 Ų71.935%0.34639%0.392SS..  trans-91.2124.9-178.1-140.9-96.2000111.9F367 F387 S392 L397F367-F390 HydrophobicContact CZ-CE2 4.5Å; F387-F390 HydrophobicContact CB-CB 3.84Å; F387-F390 HydrophobicContact CD1-CB 4.42Å; F387-F390 AromaticContact CD1-CD2 3.9Å; F387-F390 HydrophobicContact CD1-CD2 3.9Å; F387-F390 HydrophobicContact CD1-CG 4.32Å; F387-F390 HydrophobicContact CE1-CD2 4.47Å; F387-F390 HydrophobicContact CG-CB 4.41Å; F390-S392 PolarHBondContact O-N 3.19Å; F390-L397 HydrophobicContact CE1-CD1 4.11Å; F390-L397 HydrophobicContact CZ-CD1 4.17Å; F390-L397 HydrophobicContact CZ-CG 4.4Å
391P46.4Very low68.3Low72 Ų7276.2 Ų76.247%0.46842%0.415SS..  trans-64.9131.6-172.823.7-31.8000111.3K393P391-K393 PolarHBondContact O-N 2.93Å
392S47.4Very low66.9Low132 Ų13276.9 Ų76.992%0.92342%0.416SS*.SBendtrans-62.1-7.1177.5-19.80000113.5F390F390-S392 PolarHBondContact O-N 3.19Å
393K42.4Very low65.3Low169 Ų16978.5 Ų78.574%0.73543%0.427SS*.SBendtrans-120.2122.9174.5-72.8-177.8179177.60109.9P391 V395P391-K393 PolarHBondContact O-N 2.93Å; K393-V395 PolarHBondContact O-N 2.83Å
394C43.5Very low63.3Low70 Ų7080.1 Ų80.147%0.47344%0.44SS..  trans-60.688.6179.9-164.70000112.2Y56Y56-C394 PolarHBondContact O-SG 3.02Å
395V44.4Very low61Low126 Ų12683.9 Ų83.976%0.76446%0.462SS*.  trans-126.6-0.8175.7-167.30000114.4K393K393-V395 PolarHBondContact O-N 2.83Å
396I39.7Very low58.4Low101 Ų10189.8 Ų89.852%0.51849%0.493SS..  trans-127.422.9177-40-178.8000113.1E372E372-I396 HydrophobicContact CG-CG2 4.27Å
397L45.9Very low55.4Low54 Ų5493.2 Ų93.228%0.28352%0.519SS..  trans-129.20175.1-64.7175.3000114.3K58 T61 M65 L369 F390K58-L397 PolarHBondContact NZ-O 3.21Å; K58-L397 PolarHBondContact NZ-OXT 3.02Å; T61-L397 HydrophobicContact CG2-CD2 3.22Å; T61-L397 HydrophobicContact CG2-CG 4.43Å; T61-L397 PolarHBondContact OG1-OXT 2.89Å; M65-L397 HydrophobicContact CE-CD2 4.3Å; L369-L397 HydrophobicContact CD2-CD2 3.74Å; F390-L397 HydrophobicContact CE1-CD1 4.11Å; F390-L397 HydrophobicContact CZ-CD1 4.17Å; F390-L397 HydrophobicContact CZ-CG 4.4Å

Retrieved 397 of 397 residues in 206.7 ms (Link to these results)