A0A087XWG0_POEFO Loading...

Histone H4 transcription factor

AlphaFold DB , UniProt , Accession A0A087XWG0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 482 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
1M39.3Very low44.8Very low256 Ų256162.9 Ų162.9100%1.26184%0.841SS**  0122.20-83.2175.7171.700108.7
2A24.4Very low47.9Very low97 Ų97152.4 Ų152.480%0.80279%0.787SS**  trans-136.8143.8167.900000107.6
3P39.3Very low51Low121 Ų121150.5 Ų150.579%0.78677%0.769SS**  trans-81.8147.7-153.931.9-34.4000113.4K5P3-K5 PolarHBondContact O-N 3.3Å
4N38.7Very low53.8Low164 Ų164139.9 Ų139.988%0.87772%0.715SS**  trans-20.998.1161.7-90.4-36.4000114.3R6N4-R6 VanDerWaalsContact C-N 3.27Å; N4-R6 PolarHBondContact O-N 3.24Å
5K35.6Very low56.2Low205 Ų205137.7 Ų137.789%0.89170%0.7SS**  trans-71.194150.3-79.2-174.9179.8179.70106.5P3 A7P3-K5 PolarHBondContact O-N 3.3Å; K5-A7 VanDerWaalsContact C-N 3.27Å; K5-A7 PolarHBondContact O-N 3.24Å
6R39.7Very low58.3Low235 Ų235129.1 Ų129.189%0.88766%0.657SS**  trans-59.795.5167.2-156.8177.6-169.4-176.52.7106.2N4 Q8N4-R6 VanDerWaalsContact C-N 3.27Å; N4-R6 PolarHBondContact O-N 3.24Å; R6-Q8 PolarHBondContact O-N 2.83Å
7A38.7Very low60Low86 Ų86122.7 Ų122.771%0.71162%0.624SS**  trans-54.4115.9179.300000108K5 K9K5-A7 VanDerWaalsContact C-N 3.27Å; K5-A7 PolarHBondContact O-N 3.24Å; A7-K9 PolarHBondContact O-N 3.38Å
8Q41.3Very low61.5Low185 Ų185116.3 Ų116.386%0.86459%0.591SS**  trans-58112.4170.8-73.8178.9-15.800106.5R6 K10R6-Q8 PolarHBondContact O-N 2.83Å; Q8-K10 PolarHBondContact O-N 3.35Å
9K54Low62.7Low203 Ų203112.7 Ų112.788%0.88358%0.58SS**  trans-60110.4175.8-75.8-176.8177.7-177.50107A7A7-K9 PolarHBondContact O-N 3.38Å
10K67.3Low63.7Low127 Ų127112.4 Ų112.455%0.55259%0.588SS**PPolyproline II helixtrans-55.3139.5172.6-72.9-179-179.5175.80108.1Q8 L12 Q87Q8-K10 PolarHBondContact O-N 3.35Å; K10-L12 PolarHBondContact O-N 3.29Å; K10-Q87 PolarHBondContact O-NE2 3.23Å
11P74.1Confident64.7Low113 Ų113108.7 Ų108.773%0.73457%0.572SS**PPolyproline II helixtrans-56.6133.5177.523.9-32.5000109.4K13 Q87P11-K13 PolarHBondContact O-N 2.65Å; P11-Q87 PolarHBondContact O-NE2 2.98Å
12L82.5Confident66.8Low37 Ų3798.1 Ų98.119%0.19453%0.528CS..PPolyproline II helixtrans-65.5127.7175.6-170.578.3000107.7K10 V14 S26 K80 Q83 L84K10-L12 PolarHBondContact O-N 3.29Å; L12-V14 HydrophobicContact CD2-CG1 3.93Å; L12-V14 HydrophobicContact CG-CG1 4.03Å; L12-S26 WeakPolarHBondContact O-CA 3.01Å; L12-K80 HydrophobicContact CD1-CG 4.4Å; L12-K80 HydrophobicContact CD2-CB 4.32Å; L12-K80 HydrophobicContact CD2-CD 4.17Å; L12-K80 HydrophobicContact CD2-CG 3.81Å; L12-Q83 HydrophobicContact CD1-CB 3.99Å; L12-Q83 HydrophobicContact CD1-CG 3.67Å; L12-Q83 HydrophobicContact CG-CG 4.41Å; L12-L84 HydrophobicContact CD1-CD2 4.01Å; L12-L84 HydrophobicContact CD1-CG 4.25Å
13K88.6Confident69.9Low127 Ų12798.1 Ų98.155%0.55251%0.512SS*.  trans-122.7111.6171.7-174.1-178.2178.9-173.50107.1P11 S24 F25 Q83P11-K13 PolarHBondContact O-N 2.65Å; K13-S24 WeakPolarHBondContact CE-OG 3.34Å; K13-F25 WeakPolarHBondContact CA-O 3.43Å; K13-Q83 WeakPolarHBondContact O-CG 3.45Å; K13-Q83 PolarHBondContact O-NE2 3.3Å
14V89.3Confident72.2Confident2 Ų295.3 Ų95.31%0.01250%0.495CS..EExtended strand (participates in β ladder)trans-106.5146.8178.5-68.20000109.3L12 S24 F25 F31 T79 K80L12-V14 HydrophobicContact CD2-CG1 3.93Å; L12-V14 HydrophobicContact CG-CG1 4.03Å; V14-S24 CarbonylContact O-C 3.46Å; V14-S24 VanDerWaalsContact O-CA 3.24Å; V14-S24 WeakPolarHBondContact O-CA 3.3Å; V14-F25 HydrophobicContact CG2-CB 4.04Å; V14-F25 PolarHBondContact N-O 3.1Å; V14-F25 PolarHBondContact O-N 2.97Å; V14-F31 HydrophobicContact CB-CD1 4.16Å; V14-F31 HydrophobicContact CB-CE1 4.1Å; V14-F31 HydrophobicContact CB-CZ 4.46Å; V14-F31 HydrophobicContact CG2-CB 3.91Å; V14-F31 HydrophobicContact CG2-CD1 3.58Å; V14-F31 HydrophobicContact CG2-CD2 4.14Å; V14-F31 HydrophobicContact CG2-CE1 4.02Å; V14-F31 HydrophobicContact CG2-CG 3.61Å; V14-F31 HydrophobicContact CG2-CZ 4.49Å; V14-T79 HydrophobicContact CB-CG2 4.16Å; V14-T79 HydrophobicContact CG1-CG2 4.42Å; V14-K80 HydrophobicContact CG1-CB 4.23Å
15E90.3Very high74.8Confident107 Ų10789.3 Ų89.350%0.546%0.461SS..EExtended strand (participates in β ladder)trans-124.3137-177.2-172178158.400109.9E23 T79E15-E23 CarbonylContact C-O 3.59Å; E15-E23 WeakPolarHBondContact CA-O 3.41Å; E15-T79 WeakPolarHBondContact O-CG2 3.21Å
16C90.2Very high77.3Confident1 Ų183.9 Ų83.91%0.00745%0.449CS..  trans-76.1122.1178.4-169.70000110.4C21 G22 E23 F31C16-C21 HydrophobicContact CB-CB 4.44Å; C16-G22 VanDerWaalsContact O-CA 3.27Å; C16-G22 WeakPolarHBondContact O-CA 3.17Å; C16-G22 PolarHBondContact O-N 3.39Å; C16-G22 VanDerWaalsContact O-N 3.1Å; C16-E23 PolarHBondContact N-O 2.88Å; C16-F31 HydrophobicContact CB-CE2 3.93Å
17E87Confident79.5Confident20 Ų2077.9 Ų77.99%0.09343%0.431CS..  trans-107.820.2176.4-66.1177.3176.800111.7A19 W54 R55 K82 R105 N106E17-A19 PolarHBondContact O-N 2.73Å; E17-W54 HydrophobicContact CB-CZ2 4.1Å; E17-R55 WeakPolarHBondContact O-CG 3.35Å; E17-R55 PolarHBondContact O-N 3.03Å; E17-R55 VanDerWaalsContact O-N 3.11Å; E17-K82 IonicContact OE1-NZ 2.61Å; E17-K82 IonicContact OE2-NZ 3.9Å; E17-K82 PolarHBondContact OE2-NZ 3.18Å; E17-R105 VanDerWaalsContact CD-NH1 3.34Å; E17-R105 IonicContact OE1-CZ 3.91Å; E17-R105 IonicContact OE1-NH1 2.65Å; E17-R105 PolarHBondContact OE1-NH1 2.99Å; E17-R105 IonicContact OE1-NH2 3.23Å; E17-R105 PolarHBondContact OE1-NH2 3.44Å; E17-R105 IonicContact OE2-CZ 3.3Å; E17-R105 IonicContact OE2-NH1 2.97Å; E17-R105 PolarHBondContact OE2-NH1 3.1Å; E17-N106 PolarHBondContact OE2-ND2 2.94Å; E17-N106 PolarHBondContact OE2-OD1 3.35Å
18W86.4Confident81.9Confident8 Ų874.7 Ų74.73%0.0340%0.401CS..BIsolated β-bridgetrans-70.9118.2170-170.8-92.5000109.7S20 C21 H38 L39 L53 W54 L72W18-S20 PolarHBondContact O-N 2.95Å; W18-C21 VanDerWaalsContact O-CB 3.28Å; W18-C21 WeakPolarHBondContact O-CB 3.48Å; W18-C21 PolarHBondContact O-N 2.95Å; W18-H38 AromaticContact CD1-CE1 3.92Å; W18-H38 AromaticContact CD1-CG 3.45Å; W18-H38 VanDerWaalsContact CD1-CG 3.45Å; W18-H38 AromaticContact CD1-ND1 3.31Å; W18-H38 VanDerWaalsContact CD1-ND1 3.31Å; W18-H38 HydrophobicContact CD2-CB 4.1Å; W18-H38 HydrophobicContact CG-CB 4.18Å; W18-H38 AromaticContact CG-CG 3.84Å; W18-H38 HydrophobicContact CZ2-CB 4.15Å; W18-H38 AromaticContact NE1-CG 3.68Å; W18-H38 AromaticContact NE1-ND1 3.69Å; W18-L39 HydrophobicContact CH2-CD2 3.98Å; W18-L53 HydrophobicContact CD2-CB 4.11Å; W18-L53 HydrophobicContact CH2-CB 4.24Å; W18-L53 HydrophobicContact CZ2-CB 3.78Å; W18-L53 HydrophobicContact CZ2-CD1 4.29Å; W18-L53 HydrophobicContact CZ2-CG 4.05Å; W18-W54 HydrophobicContact CE3-CB 4.46Å; W18-W54 AromaticContact CE3-CE3 3.93Å; W18-W54 HydrophobicContact CE3-CE3 3.93Å; W18-L72 HydrophobicContact CE3-CD1 3.65Å; W18-L72 HydrophobicContact CZ3-CD1 3.61Å; W18-L72 HydrophobicContact CZ3-CD2 4.43Å
19A84.4Confident84.2Confident47 Ų4770.2 Ų70.239%0.38838%0.381SS..THydrogen-bonded Turntrans41.4-110.3-178.500000113.2E17 L53 R55E17-A19 PolarHBondContact O-N 2.73Å; A19-L53 HydrophobicContact CB-CB 4.46Å; A19-L53 PolarHBondContact N-O 3.14Å; A19-R55 PolarHBondContact O-NE 3.5Å; A19-R55 PolarHBondContact O-NH2 2.78Å
20S82.9Confident85.9Confident106 Ų10663.9 Ų63.974%0.74136%0.356SS*.THydrogen-bonded Turntrans-107.48.217956.70000114.9W18W18-S20 PolarHBondContact O-N 2.95Å
21C84.9Confident87Confident35 Ų3557.8 Ų57.824%0.23633%0.33CS..  trans-61.9-51.1-167.8-179.40000114.2C16 W18 E23 H34C16-C21 HydrophobicContact CB-CB 4.44Å; W18-C21 VanDerWaalsContact O-CB 3.28Å; W18-C21 WeakPolarHBondContact O-CB 3.48Å; W18-C21 PolarHBondContact O-N 2.95Å; C21-E23 PolarHBondContact O-N 3.06Å; C21-H34 PolarHBondContact SG-CE1 3.39Å; C21-H34 PolarHBondContact SG-NE2 3.29Å
22G82.3Confident87.8Confident34 Ų3452.6 Ų52.635%0.35130%0.296SS..  trans61.47.5171.400000116.7C16C16-G22 VanDerWaalsContact O-CA 3.27Å; C16-G22 WeakPolarHBondContact O-CA 3.17Å; C16-G22 PolarHBondContact O-N 3.39Å; C16-G22 VanDerWaalsContact O-N 3.1Å
23E89.4Confident88.1Confident98 Ų9857.5 Ų57.546%0.45832%0.316SS..  trans-69.3145.1-179.3-72.5-173.7-162.200112.1E15 C16 C21 F25 H34E15-E23 CarbonylContact C-O 3.59Å; E15-E23 WeakPolarHBondContact CA-O 3.41Å; C16-E23 PolarHBondContact N-O 2.88Å; C21-E23 PolarHBondContact O-N 3.06Å; E23-F25 HydrophobicContact CB-CE2 3.66Å; E23-F25 HydrophobicContact CB-CZ 3.96Å; E23-F25 WeakPolarHBondContact OE2-CZ 3.46Å; E23-H34 VanDerWaalsContact CD-CE1 3.42Å; E23-H34 IonicContact OE1-CE1 2.84Å; E23-H34 IonicContact OE2-CE1 3.81Å; E23-H34 PolarHBondContact OE2-CE1 3.34Å; E23-H34 IonicContact OE2-ND1 3.56Å; E23-H34 PolarHBondContact OE2-ND1 3Å
24S89.6Confident88.2Confident62 Ų6252.9 Ų52.943%0.43430%0.296SS..EExtended strand (participates in β ladder)trans-120.3138.8-176.778.20000113.3K13 V14K13-S24 WeakPolarHBondContact CE-OG 3.34Å; V14-S24 CarbonylContact O-C 3.46Å; V14-S24 VanDerWaalsContact O-CA 3.24Å; V14-S24 WeakPolarHBondContact O-CA 3.3Å
25F91.8Very high88.1Confident38 Ų3852.8 Ų52.817%0.16730%0.296CS..EExtended strand (participates in β ladder)trans-130.7151.1-172.8-58.8-93000111.5K13 V14 E23 N30 F31 H34K13-F25 WeakPolarHBondContact CA-O 3.43Å; V14-F25 HydrophobicContact CG2-CB 4.04Å; V14-F25 PolarHBondContact N-O 3.1Å; V14-F25 PolarHBondContact O-N 2.97Å; E23-F25 HydrophobicContact CB-CE2 3.66Å; E23-F25 HydrophobicContact CB-CZ 3.96Å; E23-F25 WeakPolarHBondContact OE2-CZ 3.46Å; F25-N30 HydrophobicContact CD1-CB 4.06Å; F25-F31 HydrophobicContact CB-CB 3.92Å; F25-F31 HydrophobicContact CD2-CB 4.15Å; F25-F31 AromaticContact CD2-CD2 3.43Å; F25-F31 HydrophobicContact CD2-CD2 3.43Å; F25-F31 VanDerWaalsContact CD2-CD2 3.43Å; F25-F31 HydrophobicContact CD2-CE2 4.25Å; F25-F31 HydrophobicContact CD2-CG 4.19Å; F25-F31 AromaticContact CE2-CD2 3.91Å; F25-F31 HydrophobicContact CE2-CD2 3.91Å; F25-F31 HydrophobicContact CG-CB 4.02Å; F25-F31 HydrophobicContact CG-CD2 4.18Å; F25-H34 HydrophobicContact CE1-CB 4.02Å; F25-H34 HydrophobicContact CE2-CB 4.1Å; F25-H34 AromaticContact CE2-CD2 3.71Å; F25-H34 AromaticContact CE2-CG 3.74Å; F25-H34 HydrophobicContact CZ-CB 3.53Å; F25-H34 AromaticContact CZ-CD2 3.82Å; F25-H34 AromaticContact CZ-CG 3.34Å; F25-H34 AromaticContact CZ-ND1 3.62Å
26S88Confident88.1Confident91 Ų9149.9 Ų49.964%0.63628%0.282SS*.SBendtrans-101.6-18.4174.958.40000113.7L12L12-S26 WeakPolarHBondContact O-CA 3.01Å
27Q87Confident88Confident109 Ų10951.8 Ų51.851%0.50930%0.298SS..  trans-119.3132.3-179.3-69.6-176.7-19.300110.3E29 N30 F31Q27-E29 VanDerWaalsContact C-N 3.31Å; Q27-E29 PolarHBondContact O-N 3.22Å; Q27-N30 PolarHBondContact O-N 3.36Å; Q27-N30 PolarHBondContact OE1-ND2 3.25Å; Q27-N30 VanDerWaalsContact OE1-ND2 3.13Å; Q27-F31 PolarHBondContact O-N 3.36Å; Q27-F31 VanDerWaalsContact O-N 3.16Å
28M88.4Confident87.9Confident18 Ų1852.1 Ų52.19%0.08930%0.299CS..Hα-helixtrans-65.2-34.6-178.2-162.964.1-174.600112.6N30 F31 C32 C76 K80 E131M28-N30 VanDerWaalsContact C-N 3.35Å; M28-N30 PolarHBondContact O-N 3.08Å; M28-F31 HydrophobicContact CE-CD1 4.16Å; M28-F31 PolarHBondContact O-N 3.29Å; M28-F31 HydrophobicContact SD-CD1 3.9Å; M28-C32 PolarHBondContact O-N 2.81Å; M28-C32 PolarHBondContact O-SG 3.25Å; M28-C76 HydrophobicContact CE-CB 3.63Å; M28-C76 VanDerWaalsContact CE-O 3.3Å; M28-C76 WeakPolarHBondContact CE-O 3.38Å; M28-K80 HydrophobicContact CE-CB 4.3Å; M28-K80 HydrophobicContact SD-CB 4.13Å; M28-K80 HydrophobicContact SD-CD 4.26Å; M28-E131 HydrophobicContact CG-CG 3.99Å
29E88.9Confident87.5Confident92 Ų9252.4 Ų52.443%0.4330%0.301SS..Hα-helixtrans-58.5-45.7177-69.1175.3-165.800111.8Q27 K33 W132 R135Q27-E29 VanDerWaalsContact C-N 3.31Å; Q27-E29 PolarHBondContact O-N 3.22Å; E29-K33 VanDerWaalsContact O-CG 3.28Å; E29-K33 WeakPolarHBondContact O-CG 3.28Å; E29-K33 PolarHBondContact O-N 3.08Å; E29-W132 HydrophobicContact CB-CH2 4.45Å; E29-W132 HydrophobicContact CG-CH2 3.35Å; E29-W132 HydrophobicContact CG-CZ2 3.87Å; E29-W132 HydrophobicContact CG-CZ3 4.38Å; E29-R135 IonicContact OE1-NH1 3.24Å
30N90.4Very high86.8Confident69 Ų6953.9 Ų53.937%0.36931%0.306SS..Hα-helixtrans-71.6-37.4179.5-60.3-20.6000111.1F25 Q27 M28 H34F25-N30 HydrophobicContact CD1-CB 4.06Å; Q27-N30 PolarHBondContact O-N 3.36Å; Q27-N30 PolarHBondContact OE1-ND2 3.25Å; Q27-N30 VanDerWaalsContact OE1-ND2 3.13Å; M28-N30 VanDerWaalsContact C-N 3.35Å; M28-N30 PolarHBondContact O-N 3.08Å; N30-H34 WeakPolarHBondContact O-CB 3.2Å; N30-H34 PolarHBondContact O-N 3.39Å
31F91Very high85.8Confident0 Ų055.7 Ų55.70%030%0.302CS..Hα-helixtrans-65-46.4177.7-178.5-132.1000112.6V14 C16 F25 Q27 M28 H34 A35 W54 C76 T79V14-F31 HydrophobicContact CB-CD1 4.16Å; V14-F31 HydrophobicContact CB-CE1 4.1Å; V14-F31 HydrophobicContact CB-CZ 4.46Å; V14-F31 HydrophobicContact CG2-CB 3.91Å; V14-F31 HydrophobicContact CG2-CD1 3.58Å; V14-F31 HydrophobicContact CG2-CD2 4.14Å; V14-F31 HydrophobicContact CG2-CE1 4.02Å; V14-F31 HydrophobicContact CG2-CG 3.61Å; V14-F31 HydrophobicContact CG2-CZ 4.49Å; C16-F31 HydrophobicContact CB-CE2 3.93Å; F25-F31 HydrophobicContact CB-CB 3.92Å; F25-F31 HydrophobicContact CD2-CB 4.15Å; F25-F31 AromaticContact CD2-CD2 3.43Å; F25-F31 HydrophobicContact CD2-CD2 3.43Å; F25-F31 VanDerWaalsContact CD2-CD2 3.43Å; F25-F31 HydrophobicContact CD2-CE2 4.25Å; F25-F31 HydrophobicContact CD2-CG 4.19Å; F25-F31 AromaticContact CE2-CD2 3.91Å; F25-F31 HydrophobicContact CE2-CD2 3.91Å; F25-F31 HydrophobicContact CG-CB 4.02Å; F25-F31 HydrophobicContact CG-CD2 4.18Å; Q27-F31 PolarHBondContact O-N 3.36Å; Q27-F31 VanDerWaalsContact O-N 3.16Å; M28-F31 HydrophobicContact CE-CD1 4.16Å; M28-F31 PolarHBondContact O-N 3.29Å; M28-F31 HydrophobicContact SD-CD1 3.9Å; F31-H34 PolarHBondContact O-N 3.33Å; F31-A35 WeakPolarHBondContact O-CB 3.48Å; F31-A35 PolarHBondContact O-N 3.02Å; F31-W54 AromaticContact CZ-CH2 3.94Å; F31-W54 HydrophobicContact CZ-CH2 3.94Å; F31-C76 HydrophobicContact CD1-CB 4Å; F31-C76 HydrophobicContact CE1-CB 3.8Å; F31-T79 HydrophobicContact CE1-CG2 4.22Å; F31-T79 HydrophobicContact CZ-CG2 4.11Å
32C89.9Confident84.5Confident4 Ų457.1 Ų57.13%0.02731%0.306CS..Hα-helixtrans-63-43.8176.6-72.40000111.7M28 H34 A35 E36 L73M28-C32 PolarHBondContact O-N 2.81Å; M28-C32 PolarHBondContact O-SG 3.25Å; C32-H34 VanDerWaalsContact C-N 3.32Å; C32-H34 PolarHBondContact O-N 2.96Å; C32-A35 PolarHBondContact O-N 2.93Å; C32-E36 WeakPolarHBondContact O-CG 3.32Å; C32-E36 PolarHBondContact O-N 3.03Å; C32-L73 HydrophobicContact CB-CD2 4.12Å
33K89.1Confident83.3Confident139 Ų13960.2 Ų60.260%0.60431%0.311SS*.Hα-helixtrans-60.6-41.4176-74.5174.8-179.3177.80112.4E29 A37E29-K33 VanDerWaalsContact O-CG 3.28Å; E29-K33 WeakPolarHBondContact O-CG 3.28Å; E29-K33 PolarHBondContact O-N 3.08Å; K33-A37 PolarHBondContact O-N 3.43Å
34H90.4Very high81.5Confident30 Ų3064.1 Ų64.114%0.13933%0.329CS..Hα-helixtrans-63.5-44.6174.3165.987.7000111.5C21 E23 F25 N30 F31 C32 E36 A37 H38C21-H34 PolarHBondContact SG-CE1 3.39Å; C21-H34 PolarHBondContact SG-NE2 3.29Å; E23-H34 VanDerWaalsContact CD-CE1 3.42Å; E23-H34 IonicContact OE1-CE1 2.84Å; E23-H34 IonicContact OE2-CE1 3.81Å; E23-H34 PolarHBondContact OE2-CE1 3.34Å; E23-H34 IonicContact OE2-ND1 3.56Å; E23-H34 PolarHBondContact OE2-ND1 3Å; F25-H34 HydrophobicContact CE1-CB 4.02Å; F25-H34 HydrophobicContact CE2-CB 4.1Å; F25-H34 AromaticContact CE2-CD2 3.71Å; F25-H34 AromaticContact CE2-CG 3.74Å; F25-H34 HydrophobicContact CZ-CB 3.53Å; F25-H34 AromaticContact CZ-CD2 3.82Å; F25-H34 AromaticContact CZ-CG 3.34Å; F25-H34 AromaticContact CZ-ND1 3.62Å; N30-H34 WeakPolarHBondContact O-CB 3.2Å; N30-H34 PolarHBondContact O-N 3.39Å; F31-H34 PolarHBondContact O-N 3.33Å; C32-H34 VanDerWaalsContact C-N 3.32Å; C32-H34 PolarHBondContact O-N 2.96Å; H34-E36 PolarHBondContact O-N 3.49Å; H34-A37 WeakPolarHBondContact O-CB 3.41Å; H34-A37 PolarHBondContact O-N 3.08Å; H34-H38 AromaticContact CD2-NE2 3.81Å; H34-H38 AromaticContact CE1-NE2 3.44Å; H34-H38 PolarHBondContact CE1-NE2 2.94Å; H34-H38 AromaticContact NE2-CD2 3.91Å; H34-H38 AromaticContact NE2-NE2 3.06Å; H34-H38 PolarHBondContact NE2-NE2 2.75Å; H34-H38 PolarHBondContact O-CD2 2.92Å
35A88.5Confident79.7Confident1 Ų170 Ų701%0.00835%0.35CS..Hα-helixtrans-59.1-48.1177.800000111F31 C32 A37 H38 L72 C76F31-A35 WeakPolarHBondContact O-CB 3.48Å; F31-A35 PolarHBondContact O-N 3.02Å; C32-A35 PolarHBondContact O-N 2.93Å; A35-A37 PolarHBondContact O-N 3.45Å; A35-H38 WeakPolarHBondContact O-CB 3.35Å; A35-H38 PolarHBondContact O-N 3.19Å; A35-H38 VanDerWaalsContact O-N 3.08Å; A35-L72 HydrophobicContact CB-CD1 4.26Å; A35-L72 HydrophobicContact CB-CD2 4.22Å; A35-L72 HydrophobicContact CB-CG 4.19Å; A35-L72 VanDerWaalsContact O-CD2 3.3Å; A35-L72 WeakPolarHBondContact O-CD2 3.47Å; A35-C76 WeakPolarHBondContact CB-SG 3.15Å
36E89Confident77.8Confident46 Ų4670.6 Ų70.622%0.21536%0.362CS..Hα-helixtrans-58.8-30.9177.9-71177.1129.900113.4C32 H34 H38 L39 T40 R69 L73C32-E36 WeakPolarHBondContact O-CG 3.32Å; C32-E36 PolarHBondContact O-N 3.03Å; H34-E36 PolarHBondContact O-N 3.49Å; E36-H38 PolarHBondContact O-N 2.69Å; E36-L39 WeakPolarHBondContact O-CB 3.33Å; E36-L39 PolarHBondContact O-N 3.28Å; E36-T40 PolarHBondContact O-N 3.17Å; E36-R69 IonicContact OE1-CZ 3.64Å; E36-R69 VanDerWaalsContact OE1-CZ 3.24Å; E36-R69 IonicContact OE1-NE 3.5Å; E36-R69 PolarHBondContact OE1-NE 3.38Å; E36-R69 IonicContact OE1-NH2 3.22Å; E36-R69 PolarHBondContact OE1-NH2 3.47Å; E36-L73 HydrophobicContact CG-CD2 3.95Å
37A87.4Confident76.1Confident40 Ų4076.4 Ų76.433%0.33138%0.379SS..Hα-helixtrans-61.4-30.1176.800000112.9K33 H34 A35 L39 T40 E41K33-A37 PolarHBondContact O-N 3.43Å; H34-A37 WeakPolarHBondContact O-CB 3.41Å; H34-A37 PolarHBondContact O-N 3.08Å; A35-A37 PolarHBondContact O-N 3.45Å; A37-L39 PolarHBondContact O-N 2.93Å; A37-T40 WeakPolarHBondContact CA-OG1 3.44Å; A37-T40 PolarHBondContact O-N 3.14Å; A37-T40 PolarHBondContact O-OG1 3.41Å; A37-E41 PolarHBondContact O-N 2.87Å
38H85.2Confident74.9Confident27 Ų2773.7 Ų73.713%0.12538%0.38CS..Hα-helixtrans-65.6-28175.2-68.1-74.4000112.6W18 H34 A35 E36W18-H38 AromaticContact CD1-CE1 3.92Å; W18-H38 AromaticContact CD1-CG 3.45Å; W18-H38 VanDerWaalsContact CD1-CG 3.45Å; W18-H38 AromaticContact CD1-ND1 3.31Å; W18-H38 VanDerWaalsContact CD1-ND1 3.31Å; W18-H38 HydrophobicContact CD2-CB 4.1Å; W18-H38 HydrophobicContact CG-CB 4.18Å; W18-H38 AromaticContact CG-CG 3.84Å; W18-H38 HydrophobicContact CZ2-CB 4.15Å; W18-H38 AromaticContact NE1-CG 3.68Å; W18-H38 AromaticContact NE1-ND1 3.69Å; H34-H38 AromaticContact CD2-NE2 3.81Å; H34-H38 AromaticContact CE1-NE2 3.44Å; H34-H38 PolarHBondContact CE1-NE2 2.94Å; H34-H38 AromaticContact NE2-CD2 3.91Å; H34-H38 AromaticContact NE2-NE2 3.06Å; H34-H38 PolarHBondContact NE2-NE2 2.75Å; H34-H38 PolarHBondContact O-CD2 2.92Å; A35-H38 WeakPolarHBondContact O-CB 3.35Å; A35-H38 PolarHBondContact O-N 3.19Å; A35-H38 VanDerWaalsContact O-N 3.08Å; E36-H38 PolarHBondContact O-N 2.69Å
39L79.1Confident73.7Confident14 Ų1480.1 Ų80.17%0.07341%0.41CS..Hα-helixtrans-75.8-35.6176.1-61.9176.6000111.7W18 E36 A37 E41 E42 E43 L68 R69 L72W18-L39 HydrophobicContact CH2-CD2 3.98Å; E36-L39 WeakPolarHBondContact O-CB 3.33Å; E36-L39 PolarHBondContact O-N 3.28Å; A37-L39 PolarHBondContact O-N 2.93Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 3.03Å; L39-E42 PolarHBondContact O-N 3.39Å; L39-E43 WeakPolarHBondContact O-CG 3.43Å; L39-E43 PolarHBondContact O-N 3.2Å; L39-E43 VanDerWaalsContact O-N 3.16Å; L39-L68 HydrophobicContact CD2-CD2 3.68Å; L39-L68 HydrophobicContact CD2-CG 3.82Å; L39-R69 HydrophobicContact CD1-CB 3.83Å; L39-R69 HydrophobicContact CD1-CG 4.04Å; L39-L72 HydrophobicContact CD1-CB 4.33Å; L39-L72 HydrophobicContact CD1-CD2 3.44Å; L39-L72 VanDerWaalsContact CD1-CD2 3.44Å; L39-L72 HydrophobicContact CD2-CD2 4Å; L39-L72 HydrophobicContact CG-CD2 3.48Å; L39-L72 VanDerWaalsContact CG-CD2 3.48Å
40T70Confident72.9Confident78 Ų7878.5 Ų78.548%0.47940%0.4SS..Hα-helixtrans-70.2-28.1178.852.20000113E36 A37 E42E36-T40 PolarHBondContact O-N 3.17Å; A37-T40 WeakPolarHBondContact CA-OG1 3.44Å; A37-T40 PolarHBondContact O-N 3.14Å; A37-T40 PolarHBondContact O-OG1 3.41Å; T40-E42 VanDerWaalsContact C-N 3.32Å
41E61.8Low72.5Confident144 Ų14479.6 Ų79.667%0.67341%0.406SS*.Hα-helixtrans-71.4-27.3174-69.7180179.900112.2A37 L39A37-E41 PolarHBondContact O-N 2.87Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 3.03Å
42E57.8Low72.2Confident65 Ų6580 Ų8030%0.30441%0.408SS..Hα-helixtrans-88.8-18.1178.6-67.6-179170.600113.5L39 T40 E44 E45 L53L39-E42 PolarHBondContact O-N 3.39Å; T40-E42 VanDerWaalsContact C-N 3.32Å; E42-E44 PolarHBondContact O-N 2.97Å; E42-E45 PolarHBondContact O-N 3.16Å; E42-L53 WeakPolarHBondContact OE1-CD1 3.46Å
43E55.6Low72Confident100 Ų10083.5 Ų83.547%0.46743%0.427SS..THydrogen-bonded Turntrans-65.7-20.4179.6-84.2175173.800113.6L39 E45L39-E43 WeakPolarHBondContact O-CG 3.43Å; L39-E43 PolarHBondContact O-N 3.2Å; L39-E43 VanDerWaalsContact O-N 3.16Å; E43-E45 VanDerWaalsContact C-N 3.32Å; E43-E45 PolarHBondContact O-N 3.33Å
44E52.7Low71.8Confident180 Ų18077 Ų7784%0.84140%0.398SS*.THydrogen-bonded Turntrans-77.1-11.3179.5-65-165.6159.300113.7E42E42-E44 PolarHBondContact O-N 2.97Å
45E51.6Low71.5Confident185 Ų18581.8 Ų81.886%0.86442%0.415SS*.THydrogen-bonded Turntrans-126.9-4.3-168.2-73.7-165.3156.400119E42 E43E42-E45 PolarHBondContact O-N 3.16Å; E43-E45 VanDerWaalsContact C-N 3.32Å; E43-E45 PolarHBondContact O-N 3.33Å
46A51.9Low71.1Confident50 Ų5086.5 Ų86.541%0.41344%0.44SS..  trans-143.1111.3-173.600000117.6G48A46-G48 PolarHBondContact O-N 3.38Å
47E52.2Low70.8Confident214 Ų21485.2 Ų85.2100%144%0.436SS*.SBendtrans-82.892151.5-74-175.2163.700108.6
48G61.9Low70.4Confident52 Ų5286.9 Ų86.954%0.53646%0.457SS..SBendtrans172.4-178.4-179.500000115.1A46 R50A46-G48 PolarHBondContact O-N 3.38Å; G48-R50 WeakPolarHBondContact O-CG 3.31Å; G48-R50 PolarHBondContact O-N 2.89Å
49E63.6Low70.3Confident153 Ų15387.2 Ų87.272%0.71546%0.458SS*.  trans-51.2124.5172.8-73.5175.4-17300111.1
50R72.8Confident70.3Confident57 Ų5788.4 Ų88.422%0.21547%0.467CS..EExtended strand (participates in β ladder)trans-107.2121.2-175.9-58.2-171.8-179.8-177.1-1.5111.3G48 C60 S61 L68G48-R50 WeakPolarHBondContact O-CG 3.31Å; G48-R50 PolarHBondContact O-N 2.89Å; R50-C60 WeakPolarHBondContact O-CA 3.45Å; R50-S61 PolarHBondContact N-O 3.39Å; R50-S61 PolarHBondContact O-N 3.28Å; R50-L68 HydrophobicContact CB-CD2 3.69Å
51N81.2Confident70.6Confident92 Ų9284.9 Ų84.949%0.49245%0.446SS..EExtended strand (participates in β ladder)trans-92.6138.7-177.8-64.9-66.7000111.2L53N51-L53 PolarHBondContact O-N 3.45Å
52C85.4Confident71Confident8 Ų883.4 Ų83.45%0.05445%0.446CS..  trans-74.1118.5169.7-174.20000110.1W54 F59 L68C52-W54 PolarHBondContact O-N 3.45Å; C52-W54 VanDerWaalsContact SG-CB 3.53Å; C52-F59 HydrophobicContact CB-CB 4.01Å; C52-F59 HydrophobicContact CB-CD1 4.39Å; C52-F59 PolarHBondContact N-O 2.86Å; C52-L68 HydrophobicContact CB-CD1 3.92Å
53L84.1Confident71.3Confident78 Ų7887 Ų8741%0.40847%0.468SS..  trans-87.312.3177.3-55.4-173.8000113.6W18 A19 E42 N51 R55W18-L53 HydrophobicContact CD2-CB 4.11Å; W18-L53 HydrophobicContact CH2-CB 4.24Å; W18-L53 HydrophobicContact CZ2-CB 3.78Å; W18-L53 HydrophobicContact CZ2-CD1 4.29Å; W18-L53 HydrophobicContact CZ2-CG 4.05Å; A19-L53 HydrophobicContact CB-CB 4.46Å; A19-L53 PolarHBondContact N-O 3.14Å; E42-L53 WeakPolarHBondContact OE1-CD1 3.46Å; N51-L53 PolarHBondContact O-N 3.45Å; L53-R55 PolarHBondContact O-N 3.29Å
54W86.8Confident71.9Confident4 Ų483.4 Ų83.42%0.01546%0.458CS..BIsolated β-bridgetrans-64.1127.7168.8-152-74.4000109.1E17 W18 F31 C52 D56 C57 L72 H75 T79E17-W54 HydrophobicContact CB-CZ2 4.1Å; W18-W54 HydrophobicContact CE3-CB 4.46Å; W18-W54 AromaticContact CE3-CE3 3.93Å; W18-W54 HydrophobicContact CE3-CE3 3.93Å; F31-W54 AromaticContact CZ-CH2 3.94Å; F31-W54 HydrophobicContact CZ-CH2 3.94Å; C52-W54 PolarHBondContact O-N 3.45Å; C52-W54 VanDerWaalsContact SG-CB 3.53Å; W54-D56 PolarHBondContact O-N 3.24Å; W54-C57 HydrophobicContact CB-CB 4.09Å; W54-C57 VanDerWaalsContact O-CB 3.3Å; W54-C57 WeakPolarHBondContact O-CB 3.3Å; W54-C57 PolarHBondContact O-N 2.76Å; W54-C57 VanDerWaalsContact O-N 3.07Å; W54-L72 HydrophobicContact CE3-CD1 3.47Å; W54-L72 VanDerWaalsContact CE3-CD1 3.47Å; W54-L72 HydrophobicContact CZ3-CD1 3.47Å; W54-L72 VanDerWaalsContact CZ3-CD1 3.47Å; W54-H75 AromaticContact CD1-CE1 3.7Å; W54-H75 AromaticContact CD1-ND1 3.46Å; W54-H75 HydrophobicContact CD2-CB 3.46Å; W54-H75 VanDerWaalsContact CD2-CB 3.46Å; W54-H75 AromaticContact CD2-CG 3.5Å; W54-H75 VanDerWaalsContact CD2-CG 3.5Å; W54-H75 AromaticContact CD2-ND1 3.7Å; W54-H75 AromaticContact CE2-CG 3.97Å; W54-H75 AromaticContact CE2-ND1 3.92Å; W54-H75 HydrophobicContact CE3-CB 3.41Å; W54-H75 VanDerWaalsContact CE3-CB 3.41Å; W54-H75 AromaticContact CE3-CG 3.79Å; W54-H75 HydrophobicContact CG-CB 4.14Å; W54-H75 AromaticContact CG-CD2 3.91Å; W54-H75 AromaticContact CG-CE1 3.6Å; W54-H75 AromaticContact CG-CG 3.62Å; W54-H75 AromaticContact CG-ND1 3.43Å; W54-H75 AromaticContact CG-NE2 3.88Å; W54-H75 HydrophobicContact CH2-CB 3.9Å; W54-H75 HydrophobicContact CZ2-CB 3.94Å; W54-H75 HydrophobicContact CZ3-CB 3.65Å; W54-H75 AromaticContact NE1-ND1 3.71Å; W54-T79 WeakPolarHBondContact CZ2-OG1 3.46Å
55R83.4Confident73.1Confident129 Ų12977.2 Ų77.249%0.48743%0.433SS..THydrogen-bonded Turntrans-48.7130.4-175.2-74173.4-175.7-163.52.6111.3E17 A19 L53 C57 N106E17-R55 WeakPolarHBondContact O-CG 3.35Å; E17-R55 PolarHBondContact O-N 3.03Å; E17-R55 VanDerWaalsContact O-N 3.11Å; A19-R55 PolarHBondContact O-NE 3.5Å; A19-R55 PolarHBondContact O-NH2 2.78Å; L53-R55 PolarHBondContact O-N 3.29Å; R55-C57 PolarHBondContact O-N 3.09Å; R55-N106 WeakPolarHBondContact O-CB 3.46Å; R55-N106 PolarHBondContact O-ND2 3.06Å
56D79Confident74.4Confident101 Ų10173 Ų7354%0.5441%0.413SS..THydrogen-bonded Turntrans5823.2176.6-49.6-46000115.5W54W54-D56 PolarHBondContact O-N 3.24Å
57C84Confident75.8Confident19 Ų1971.6 Ų71.613%0.12840%0.398CS..THydrogen-bonded Turntrans-84-58.9174.3-176.90000112.2W54 R55 F59 H71 H75W54-C57 HydrophobicContact CB-CB 4.09Å; W54-C57 VanDerWaalsContact O-CB 3.3Å; W54-C57 WeakPolarHBondContact O-CB 3.3Å; W54-C57 PolarHBondContact O-N 2.76Å; W54-C57 VanDerWaalsContact O-N 3.07Å; R55-C57 PolarHBondContact O-N 3.09Å; C57-F59 VanDerWaalsContact C-N 3.25Å; C57-F59 PolarHBondContact O-N 2.88Å; C57-F59 VanDerWaalsContact SG-CB 3.58Å; C57-H71 PolarHBondContact SG-NE2 3.29Å; C57-H75 PolarHBondContact SG-NE2 3.43Å
58G79.6Confident77.3Confident74 Ų7461.4 Ų61.476%0.76335%0.351SS*.  trans70.815-179.600000115
59F82.1Confident78.5Confident35 Ų3563 Ų6315%0.15434%0.34CS..  trans-73.9141.6174-179.4-99.1000111.4C52 C57 E67 L68 H71C52-F59 HydrophobicContact CB-CB 4.01Å; C52-F59 HydrophobicContact CB-CD1 4.39Å; C52-F59 PolarHBondContact N-O 2.86Å; C57-F59 VanDerWaalsContact C-N 3.25Å; C57-F59 PolarHBondContact O-N 2.88Å; C57-F59 VanDerWaalsContact SG-CB 3.58Å; F59-E67 HydrophobicContact CE1-CG 4.43Å; F59-E67 HydrophobicContact CZ-CG 4.07Å; F59-L68 HydrophobicContact CD1-CD1 4.38Å; F59-H71 WeakPolarHBondContact CB-CE1 3.47Å; F59-H71 VanDerWaalsContact CB-NE2 3.34Å; F59-H71 WeakPolarHBondContact CB-NE2 3.39Å; F59-H71 HydrophobicContact CD1-CB 4.19Å; F59-H71 AromaticContact CD1-CD2 3.75Å; F59-H71 AromaticContact CD1-CE1 3.64Å; F59-H71 AromaticContact CD1-CG 3.55Å; F59-H71 AromaticContact CD1-ND1 3.48Å; F59-H71 WeakPolarHBondContact CD1-ND1 3.41Å; F59-H71 AromaticContact CD1-NE2 3.81Å; F59-H71 AromaticContact CD2-CE1 3.59Å; F59-H71 AromaticContact CD2-ND1 3.64Å; F59-H71 HydrophobicContact CE1-CB 3.99Å; F59-H71 AromaticContact CE1-CG 3.8Å; F59-H71 AromaticContact CE1-ND1 3.77Å; F59-H71 AromaticContact CE2-ND1 3.92Å; F59-H71 AromaticContact CG-CE1 3.2Å; F59-H71 WeakPolarHBondContact CG-CE1 3.39Å; F59-H71 AromaticContact CG-CG 3.94Å; F59-H71 AromaticContact CG-ND1 3.42Å; F59-H71 WeakPolarHBondContact CG-ND1 3.34Å; F59-H71 AromaticContact CG-NE2 3.61Å; F59-H71 AromaticContact CZ-ND1 3.98Å
60C79.1Confident79.6Confident39 Ų3957 Ų5726%0.26431%0.311SS..EExtended strand (participates in β ladder)trans-128.3122.4174.9-178.80000108.5R50R50-C60 WeakPolarHBondContact O-CA 3.45Å
61S76.6Confident80.4Confident4 Ų454.6 Ų54.63%0.02830%0.302CS..EExtended strand (participates in β ladder)trans-81.8133174.6174.30000110.3R50 G64 E67R50-S61 PolarHBondContact N-O 3.39Å; R50-S61 PolarHBondContact O-N 3.28Å; S61-G64 PolarHBondContact OG-N 3.28Å; S61-G64 PolarHBondContact OG-O 2.92Å; S61-E67 VanDerWaalsContact CA-OE2 3.31Å; S61-E67 WeakPolarHBondContact CA-OE2 3.43Å; S61-E67 WeakPolarHBondContact CB-OE2 3.48Å; S61-E67 PolarHBondContact OG-OE2 3.16Å
62V69.4Low80.8Confident113 Ų11350.2 Ų50.269%0.68528%0.279SS*.SBendtrans-111.6-25.5177.1-171.70000110.4E67V62-E67 PolarHBondContact N-OE2 3.3Å; V62-E67 VanDerWaalsContact N-OE2 3.16Å
63D63.5Low81Confident140 Ų14050 Ų5075%0.74928%0.277SS*.SBendtrans-95.45.1-173.1-67.8-32.1000114.1E67D63-E67 PolarHBondContact N-OE2 3.36Å; D63-E67 VanDerWaalsContact N-OE2 3.08Å
64G69.4Low81.3Confident25 Ų2546.9 Ų46.926%0.25826%0.26SS..  trans111.7179.3168.800000115.8S61 E66 E67S61-G64 PolarHBondContact OG-N 3.28Å; S61-G64 PolarHBondContact OG-O 2.92Å; G64-E66 PolarHBondContact O-N 2.86Å; G64-E66 VanDerWaalsContact O-N 3.11Å; G64-E67 PolarHBondContact O-N 3.17Å; G64-E67 VanDerWaalsContact O-N 3.11Å
65P76.6Confident81.5Confident50 Ų5046.7 Ų46.733%0.32526%0.259SS..Hα-helixtrans-51.3-38.2-173.29-23000114.9E67 L68 R69P65-E67 VanDerWaalsContact C-N 3.31Å; P65-E67 PolarHBondContact O-N 3.15Å; P65-L68 PolarHBondContact O-N 3.08Å; P65-R69 WeakPolarHBondContact O-CB 3.46Å; P65-R69 PolarHBondContact O-N 3.43Å
66E79.9Confident81.9Confident97 Ų9740.5 Ų40.545%0.45324%0.236SC..Hα-helixtrans-67-31.8-175.6-58.6-56.3152.400112.6G64 R69 R70G64-E66 PolarHBondContact O-N 2.86Å; G64-E66 VanDerWaalsContact O-N 3.11Å; E66-R69 IonicContact OE2-NH1 3.95Å; E66-R70 VanDerWaalsContact O-CG 3.23Å; E66-R70 WeakPolarHBondContact O-CG 3.48Å; E66-R70 PolarHBondContact O-N 3.25Å; E66-R70 VanDerWaalsContact O-N 3.08Å; E66-R70 PolarHBondContact O-NE 3.42Å
67E82.1Confident82.5Confident19 Ų1935.9 Ų35.99%0.08921%0.211CC..Hα-helixtrans-68.2-48.3173.9-177.3-168.4-158.400110.8F59 S61 V62 D63 G64 P65 R69 R70 H71F59-E67 HydrophobicContact CE1-CG 4.43Å; F59-E67 HydrophobicContact CZ-CG 4.07Å; S61-E67 VanDerWaalsContact CA-OE2 3.31Å; S61-E67 WeakPolarHBondContact CA-OE2 3.43Å; S61-E67 WeakPolarHBondContact CB-OE2 3.48Å; S61-E67 PolarHBondContact OG-OE2 3.16Å; V62-E67 PolarHBondContact N-OE2 3.3Å; V62-E67 VanDerWaalsContact N-OE2 3.16Å; D63-E67 PolarHBondContact N-OE2 3.36Å; D63-E67 VanDerWaalsContact N-OE2 3.08Å; G64-E67 PolarHBondContact O-N 3.17Å; G64-E67 VanDerWaalsContact O-N 3.11Å; P65-E67 VanDerWaalsContact C-N 3.31Å; P65-E67 PolarHBondContact O-N 3.15Å; E67-R69 VanDerWaalsContact C-N 3.28Å; E67-R69 PolarHBondContact O-N 2.85Å; E67-R70 PolarHBondContact O-N 2.84Å; E67-H71 WeakPolarHBondContact O-CB 3.43Å; E67-H71 PolarHBondContact O-N 3.44Å
68L83.6Confident82.9Confident1 Ų135 Ų351%0.00521%0.205CC..Hα-helixtrans-61.4-37.9176.3-176.360.4000111.9L39 R50 C52 F59 P65 H71 L72L39-L68 HydrophobicContact CD2-CD2 3.68Å; L39-L68 HydrophobicContact CD2-CG 3.82Å; R50-L68 HydrophobicContact CB-CD2 3.69Å; C52-L68 HydrophobicContact CB-CD1 3.92Å; F59-L68 HydrophobicContact CD1-CD1 4.38Å; P65-L68 PolarHBondContact O-N 3.08Å; L68-H71 WeakPolarHBondContact O-CB 3.48Å; L68-H71 PolarHBondContact O-N 3.31Å; L68-L72 WeakPolarHBondContact O-CB 3.42Å; L68-L72 PolarHBondContact O-N 3.36Å
69R86.2Confident83.4Confident85 Ų8531.9 Ų31.932%0.32117%0.171SC..Hα-helixtrans-62.3-48.2175.7-173.9-179.5-180-166.3-1112.3E36 L39 P65 E66 E67 H71 L72 L73 E128E36-R69 IonicContact OE1-CZ 3.64Å; E36-R69 VanDerWaalsContact OE1-CZ 3.24Å; E36-R69 IonicContact OE1-NE 3.5Å; E36-R69 PolarHBondContact OE1-NE 3.38Å; E36-R69 IonicContact OE1-NH2 3.22Å; E36-R69 PolarHBondContact OE1-NH2 3.47Å; L39-R69 HydrophobicContact CD1-CB 3.83Å; L39-R69 HydrophobicContact CD1-CG 4.04Å; P65-R69 WeakPolarHBondContact O-CB 3.46Å; P65-R69 PolarHBondContact O-N 3.43Å; E66-R69 IonicContact OE2-NH1 3.95Å; E67-R69 VanDerWaalsContact C-N 3.28Å; E67-R69 PolarHBondContact O-N 2.85Å; R69-H71 VanDerWaalsContact C-N 3.31Å; R69-H71 PolarHBondContact O-N 3.25Å; R69-L72 WeakPolarHBondContact O-CB 3.38Å; R69-L72 PolarHBondContact O-N 2.85Å; R69-L73 HydrophobicContact CG-CD1 4.21Å; R69-L73 VanDerWaalsContact O-CG 3.3Å; R69-L73 WeakPolarHBondContact O-CG 3.47Å; R69-L73 PolarHBondContact O-N 2.89Å; R69-E128 IonicContact CZ-OE2 3.47Å; R69-E128 IonicContact NE-OE2 3.73Å; R69-E128 IonicContact NH1-OE2 3.29Å; R69-E128 PolarHBondContact NH1-OE2 2.97Å
70R87.3Confident83.9Confident27 Ų2732.2 Ų32.210%0.10217%0.173CC..Hα-helixtrans-60.8-43.4176.4-70.8174.9-59.6154.47.9111.5E66 E67 L72 L73 F74 P112 N114 E128E66-R70 VanDerWaalsContact O-CG 3.23Å; E66-R70 WeakPolarHBondContact O-CG 3.48Å; E66-R70 PolarHBondContact O-N 3.25Å; E66-R70 VanDerWaalsContact O-N 3.08Å; E66-R70 PolarHBondContact O-NE 3.42Å; E67-R70 PolarHBondContact O-N 2.84Å; R70-L72 PolarHBondContact O-N 3.38Å; R70-L73 PolarHBondContact O-N 3.48Å; R70-F74 PolarHBondContact O-N 3.26Å; R70-P112 VanDerWaalsContact CZ-O 3.25Å; R70-P112 PolarHBondContact NH1-O 3.06Å; R70-P112 PolarHBondContact NH2-O 3.38Å; R70-N114 WeakPolarHBondContact CD-OD1 3.5Å; R70-N114 PolarHBondContact NH1-OD1 2.87Å; R70-E128 HydrophobicContact CG-CB 3.86Å; R70-E128 HydrophobicContact CG-CG 4.01Å
71H88.7Confident84.5Confident7 Ų730.5 Ų30.53%0.03216%0.161CC..Hα-helixtrans-58.2-46.5174.8-175.293.4000111.8C57 F59 E67 L68 R69 F74 H75 I108C57-H71 PolarHBondContact SG-NE2 3.29Å; F59-H71 WeakPolarHBondContact CB-CE1 3.47Å; F59-H71 VanDerWaalsContact CB-NE2 3.34Å; F59-H71 WeakPolarHBondContact CB-NE2 3.39Å; F59-H71 HydrophobicContact CD1-CB 4.19Å; F59-H71 AromaticContact CD1-CD2 3.75Å; F59-H71 AromaticContact CD1-CE1 3.64Å; F59-H71 AromaticContact CD1-CG 3.55Å; F59-H71 AromaticContact CD1-ND1 3.48Å; F59-H71 WeakPolarHBondContact CD1-ND1 3.41Å; F59-H71 AromaticContact CD1-NE2 3.81Å; F59-H71 AromaticContact CD2-CE1 3.59Å; F59-H71 AromaticContact CD2-ND1 3.64Å; F59-H71 HydrophobicContact CE1-CB 3.99Å; F59-H71 AromaticContact CE1-CG 3.8Å; F59-H71 AromaticContact CE1-ND1 3.77Å; F59-H71 AromaticContact CE2-ND1 3.92Å; F59-H71 AromaticContact CG-CE1 3.2Å; F59-H71 WeakPolarHBondContact CG-CE1 3.39Å; F59-H71 AromaticContact CG-CG 3.94Å; F59-H71 AromaticContact CG-ND1 3.42Å; F59-H71 WeakPolarHBondContact CG-ND1 3.34Å; F59-H71 AromaticContact CG-NE2 3.61Å; F59-H71 AromaticContact CZ-ND1 3.98Å; E67-H71 WeakPolarHBondContact O-CB 3.43Å; E67-H71 PolarHBondContact O-N 3.44Å; L68-H71 WeakPolarHBondContact O-CB 3.48Å; L68-H71 PolarHBondContact O-N 3.31Å; R69-H71 VanDerWaalsContact C-N 3.31Å; R69-H71 PolarHBondContact O-N 3.25Å; H71-F74 WeakPolarHBondContact O-CB 3.41Å; H71-F74 PolarHBondContact O-N 3.45Å; H71-H75 AromaticContact CD2-CD2 3.59Å; H71-H75 AromaticContact CD2-NE2 3.59Å; H71-H75 AromaticContact NE2-CD2 3.62Å; H71-H75 AromaticContact NE2-NE2 3.09Å; H71-H75 PolarHBondContact NE2-NE2 3.33Å; H71-H75 PolarHBondContact O-CD2 3.34Å; H71-H75 PolarHBondContact O-N 3.41Å; H71-H75 VanDerWaalsContact O-N 3.09Å; H71-I108 VanDerWaalsContact CE1-CD1 3.46Å; H71-I108 WeakPolarHBondContact CE1-CD1 3.43Å; H71-I108 VanDerWaalsContact CE1-CG1 3.43Å; H71-I108 WeakPolarHBondContact CE1-CG1 3.44Å; H71-I108 WeakPolarHBondContact O-CD1 3.08Å
72L89.1Confident85.3Confident0 Ų030.6 Ų30.60%016%0.161CC..Hα-helixtrans-62.5-44.5176.1177.160.6000113.1W18 A35 L39 W54 L68 R69 R70 F74 H75 C76W18-L72 HydrophobicContact CE3-CD1 3.65Å; W18-L72 HydrophobicContact CZ3-CD1 3.61Å; W18-L72 HydrophobicContact CZ3-CD2 4.43Å; A35-L72 HydrophobicContact CB-CD1 4.26Å; A35-L72 HydrophobicContact CB-CD2 4.22Å; A35-L72 HydrophobicContact CB-CG 4.19Å; A35-L72 VanDerWaalsContact O-CD2 3.3Å; A35-L72 WeakPolarHBondContact O-CD2 3.47Å; L39-L72 HydrophobicContact CD1-CB 4.33Å; L39-L72 HydrophobicContact CD1-CD2 3.44Å; L39-L72 VanDerWaalsContact CD1-CD2 3.44Å; L39-L72 HydrophobicContact CD2-CD2 4Å; L39-L72 HydrophobicContact CG-CD2 3.48Å; L39-L72 VanDerWaalsContact CG-CD2 3.48Å; W54-L72 HydrophobicContact CE3-CD1 3.47Å; W54-L72 VanDerWaalsContact CE3-CD1 3.47Å; W54-L72 HydrophobicContact CZ3-CD1 3.47Å; W54-L72 VanDerWaalsContact CZ3-CD1 3.47Å; L68-L72 WeakPolarHBondContact O-CB 3.42Å; L68-L72 PolarHBondContact O-N 3.36Å; R69-L72 WeakPolarHBondContact O-CB 3.38Å; R69-L72 PolarHBondContact O-N 2.85Å; R70-L72 PolarHBondContact O-N 3.38Å; L72-F74 PolarHBondContact O-N 2.81Å; L72-H75 WeakPolarHBondContact O-CB 3.46Å; L72-H75 PolarHBondContact O-N 3.3Å; L72-C76 PolarHBondContact O-N 3.02Å; L72-C76 VanDerWaalsContact O-N 3.08Å; L72-C76 PolarHBondContact O-SG 3.37Å; L72-C76 VanDerWaalsContact O-SG 3.39Å
73L90.2Very high86.3Confident2 Ų227.8 Ų27.81%0.0114%0.14CC..Hα-helixtrans-63.6-30.9177.2-68.4173.5000111.4C32 E36 R69 R70 C76 Y77 E128 N129C32-L73 HydrophobicContact CB-CD2 4.12Å; E36-L73 HydrophobicContact CG-CD2 3.95Å; R69-L73 HydrophobicContact CG-CD1 4.21Å; R69-L73 VanDerWaalsContact O-CG 3.3Å; R69-L73 WeakPolarHBondContact O-CG 3.47Å; R69-L73 PolarHBondContact O-N 2.89Å; R70-L73 PolarHBondContact O-N 3.48Å; L73-C76 WeakPolarHBondContact O-CB 3.42Å; L73-C76 PolarHBondContact O-N 3.05Å; L73-Y77 PolarHBondContact O-N 3.22Å; L73-Y77 VanDerWaalsContact O-N 3.09Å; L73-E128 HydrophobicContact CD1-CB 4.34Å; L73-N129 HydrophobicContact CB-CB 4.49Å; L73-N129 HydrophobicContact CD1-CB 3.98Å
74F90.9Very high87.7Confident13 Ų1323.8 Ų23.86%0.05712%0.119CC..Hα-helixtrans-69.1-36.5171.3-163.4-83.6000112.7R70 H71 L72 C76 Y77 H78 I108 I111 P130 M193R70-F74 PolarHBondContact O-N 3.26Å; H71-F74 WeakPolarHBondContact O-CB 3.41Å; H71-F74 PolarHBondContact O-N 3.45Å; L72-F74 PolarHBondContact O-N 2.81Å; F74-C76 VanDerWaalsContact C-N 3.25Å; F74-C76 PolarHBondContact O-N 2.84Å; F74-Y77 HydrophobicContact CE2-CD1 4.27Å; F74-Y77 HydrophobicContact CZ-CD1 4.44Å; F74-Y77 PolarHBondContact O-N 2.94Å; F74-H78 HydrophobicContact CD1-CB 4.39Å; F74-H78 HydrophobicContact CE1-CB 4.43Å; F74-H78 VanDerWaalsContact O-CB 3.26Å; F74-H78 WeakPolarHBondContact O-CB 3.4Å; F74-H78 PolarHBondContact O-N 3.14Å; F74-I108 HydrophobicContact CB-CD1 3.83Å; F74-I108 HydrophobicContact CD1-CB 3.7Å; F74-I108 HydrophobicContact CD1-CD1 3.6Å; F74-I108 HydrophobicContact CD1-CG1 4.26Å; F74-I108 HydrophobicContact CD1-CG2 3.73Å; F74-I108 HydrophobicContact CE1-CB 3.88Å; F74-I108 HydrophobicContact CE1-CG2 3.91Å; F74-I108 HydrophobicContact CG-CD1 4.08Å; F74-I111 HydrophobicContact CB-CD1 3.69Å; F74-I111 HydrophobicContact CD1-CD1 4Å; F74-I111 HydrophobicContact CD2-CD1 2.98Å; F74-I111 HydrophobicContact CD2-CG1 4.43Å; F74-I111 HydrophobicContact CE1-CD1 4.39Å; F74-I111 HydrophobicContact CE2-CD1 3.48Å; F74-I111 VanDerWaalsContact CE2-CD1 3.48Å; F74-I111 HydrophobicContact CG-CD1 3.27Å; F74-I111 HydrophobicContact CZ-CD1 4.16Å; F74-P130 HydrophobicContact CB-CG 4.11Å; F74-P130 HydrophobicContact CD2-CB 4.14Å; F74-P130 HydrophobicContact CD2-CG 3.44Å; F74-P130 VanDerWaalsContact CD2-CG 3.44Å; F74-P130 HydrophobicContact CE2-CG 4.3Å; F74-P130 HydrophobicContact CG-CG 4.19Å; F74-M193 HydrophobicContact CE1-CE 3.84Å; F74-M193 HydrophobicContact CE1-SD 3.84Å; F74-M193 HydrophobicContact CZ-CE 3.82Å; F74-M193 HydrophobicContact CZ-SD 3.83Å
75H91.3Very high88.7Confident0 Ų022.6 Ų22.60%011%0.106CC..Hα-helixtrans-60-37.1170-81.9-71.4000112.8W54 C57 H71 L72 H78 T79 N106W54-H75 AromaticContact CD1-CE1 3.7Å; W54-H75 AromaticContact CD1-ND1 3.46Å; W54-H75 HydrophobicContact CD2-CB 3.46Å; W54-H75 VanDerWaalsContact CD2-CB 3.46Å; W54-H75 AromaticContact CD2-CG 3.5Å; W54-H75 VanDerWaalsContact CD2-CG 3.5Å; W54-H75 AromaticContact CD2-ND1 3.7Å; W54-H75 AromaticContact CE2-CG 3.97Å; W54-H75 AromaticContact CE2-ND1 3.92Å; W54-H75 HydrophobicContact CE3-CB 3.41Å; W54-H75 VanDerWaalsContact CE3-CB 3.41Å; W54-H75 AromaticContact CE3-CG 3.79Å; W54-H75 HydrophobicContact CG-CB 4.14Å; W54-H75 AromaticContact CG-CD2 3.91Å; W54-H75 AromaticContact CG-CE1 3.6Å; W54-H75 AromaticContact CG-CG 3.62Å; W54-H75 AromaticContact CG-ND1 3.43Å; W54-H75 AromaticContact CG-NE2 3.88Å; W54-H75 HydrophobicContact CH2-CB 3.9Å; W54-H75 HydrophobicContact CZ2-CB 3.94Å; W54-H75 HydrophobicContact CZ3-CB 3.65Å; W54-H75 AromaticContact NE1-ND1 3.71Å; C57-H75 PolarHBondContact SG-NE2 3.43Å; H71-H75 AromaticContact CD2-CD2 3.59Å; H71-H75 AromaticContact CD2-NE2 3.59Å; H71-H75 AromaticContact NE2-CD2 3.62Å; H71-H75 AromaticContact NE2-NE2 3.09Å; H71-H75 PolarHBondContact NE2-NE2 3.33Å; H71-H75 PolarHBondContact O-CD2 3.34Å; H71-H75 PolarHBondContact O-N 3.41Å; H71-H75 VanDerWaalsContact O-N 3.09Å; L72-H75 WeakPolarHBondContact O-CB 3.46Å; L72-H75 PolarHBondContact O-N 3.3Å; H75-H78 PolarHBondContact O-N 2.84Å; H75-T79 WeakPolarHBondContact O-CB 3.34Å; H75-T79 PolarHBondContact O-N 2.97Å; H75-T79 PolarHBondContact O-OG1 3.23Å; H75-N106 PolarHBondContact CE1-O 3.27Å
76C91.3Very high89.3Confident0 Ų023.5 Ų23.50%011%0.106CC..Hα-helixtrans-59.9-52.6173.8-60.30000109.8M28 F31 A35 L72 L73 F74 H78 T79 K80M28-C76 HydrophobicContact CE-CB 3.63Å; M28-C76 VanDerWaalsContact CE-O 3.3Å; M28-C76 WeakPolarHBondContact CE-O 3.38Å; F31-C76 HydrophobicContact CD1-CB 4Å; F31-C76 HydrophobicContact CE1-CB 3.8Å; A35-C76 WeakPolarHBondContact CB-SG 3.15Å; L72-C76 PolarHBondContact O-N 3.02Å; L72-C76 VanDerWaalsContact O-N 3.08Å; L72-C76 PolarHBondContact O-SG 3.37Å; L72-C76 VanDerWaalsContact O-SG 3.39Å; L73-C76 WeakPolarHBondContact O-CB 3.42Å; L73-C76 PolarHBondContact O-N 3.05Å; F74-C76 VanDerWaalsContact C-N 3.25Å; F74-C76 PolarHBondContact O-N 2.84Å; C76-H78 VanDerWaalsContact C-N 3.34Å; C76-H78 PolarHBondContact O-N 3.4Å; C76-T79 WeakPolarHBondContact O-CB 3.36Å; C76-T79 PolarHBondContact O-N 3.43Å; C76-K80 PolarHBondContact O-N 3.08Å; C76-K80 VanDerWaalsContact O-N 3.07Å
77Y91.3Very high89.9Confident4 Ų420.7 Ų20.72%0.0169%0.093CC..Hα-helixtrans-58.1-45.1177.8178.3-109.3000112.1L73 F74 T79 K80 L81 P130 E131 Y134 K183L73-Y77 PolarHBondContact O-N 3.22Å; L73-Y77 VanDerWaalsContact O-N 3.09Å; F74-Y77 HydrophobicContact CE2-CD1 4.27Å; F74-Y77 HydrophobicContact CZ-CD1 4.44Å; F74-Y77 PolarHBondContact O-N 2.94Å; Y77-T79 VanDerWaalsContact C-N 3.33Å; Y77-T79 PolarHBondContact O-N 2.71Å; Y77-K80 WeakPolarHBondContact O-CB 3.17Å; Y77-K80 PolarHBondContact O-N 3.43Å; Y77-L81 HydrophobicContact CD1-CD1 4.14Å; Y77-L81 HydrophobicContact CD1-CG 4.33Å; Y77-L81 HydrophobicContact CE1-CD1 3.59Å; Y77-L81 HydrophobicContact CE1-CD2 4.37Å; Y77-L81 HydrophobicContact CE1-CG 4.01Å; Y77-L81 HydrophobicContact CE2-CD2 4.31Å; Y77-L81 WeakPolarHBondContact O-CG 3.46Å; Y77-L81 PolarHBondContact O-N 3.38Å; Y77-P130 HydrophobicContact CD1-CB 4.26Å; Y77-P130 HydrophobicContact CG-CB 4.19Å; Y77-E131 HydrophobicContact CD2-CB 4.21Å; Y77-E131 WeakPolarHBondContact CD2-OE2 3.41Å; Y77-Y134 HydrophobicContact CD1-CE2 4.46Å; Y77-Y134 HydrophobicContact CE1-CD2 4.22Å; Y77-Y134 AromaticContact CE1-CE2 3.72Å; Y77-Y134 HydrophobicContact CE1-CE2 3.72Å; Y77-Y134 AromaticContact CE2-CD2 3.78Å; Y77-Y134 HydrophobicContact CE2-CD2 3.78Å; Y77-Y134 HydrophobicContact CE2-CE2 4.13Å; Y77-Y134 AromaticContact CZ-CD2 3.56Å; Y77-Y134 AromaticContact CZ-CE2 3.52Å; Y77-Y134 WeakPolarHBondContact OH-CD2 3.43Å; Y77-Y134 WeakPolarHBondContact OH-CE2 3.26Å; Y77-K183 PolarHBondContact OH-O 2.91Å
78H92Very high90.3Very high0 Ų020.5 Ų20.50%010%0.095CC..Hα-helixtrans-61.6-39.2177.5-177.8-121.1000112.5F74 H75 C76 L81 K82 R105 I108 G191F74-H78 HydrophobicContact CD1-CB 4.39Å; F74-H78 HydrophobicContact CE1-CB 4.43Å; F74-H78 VanDerWaalsContact O-CB 3.26Å; F74-H78 WeakPolarHBondContact O-CB 3.4Å; F74-H78 PolarHBondContact O-N 3.14Å; H75-H78 PolarHBondContact O-N 2.84Å; C76-H78 VanDerWaalsContact C-N 3.34Å; C76-H78 PolarHBondContact O-N 3.4Å; H78-L81 CarbonylContact O-C 3.43Å; H78-L81 WeakPolarHBondContact O-CB 3.23Å; H78-L81 PolarHBondContact O-N 3.02Å; H78-L81 VanDerWaalsContact O-N 3.1Å; H78-K82 WeakPolarHBondContact O-CG 3.3Å; H78-K82 PolarHBondContact O-N 3.44Å; H78-R105 PolarHBondContact CE1-O 3.47Å; H78-I108 HydrophobicContact CB-CG2 4.2Å; H78-G191 PolarHBondContact NE2-O 3.02Å
79T91.9Very high90.5Very high8 Ų821.3 Ų21.35%0.04910%0.099CC..Hα-helixtrans-63.6-42.1174.9-61.80000111.7V14 E15 F31 W54 H75 C76 Y77 L81 K82 Q83V14-T79 HydrophobicContact CB-CG2 4.16Å; V14-T79 HydrophobicContact CG1-CG2 4.42Å; E15-T79 WeakPolarHBondContact O-CG2 3.21Å; F31-T79 HydrophobicContact CE1-CG2 4.22Å; F31-T79 HydrophobicContact CZ-CG2 4.11Å; W54-T79 WeakPolarHBondContact CZ2-OG1 3.46Å; H75-T79 WeakPolarHBondContact O-CB 3.34Å; H75-T79 PolarHBondContact O-N 2.97Å; H75-T79 PolarHBondContact O-OG1 3.23Å; C76-T79 WeakPolarHBondContact O-CB 3.36Å; C76-T79 PolarHBondContact O-N 3.43Å; Y77-T79 VanDerWaalsContact C-N 3.33Å; Y77-T79 PolarHBondContact O-N 2.71Å; T79-L81 VanDerWaalsContact C-N 3.33Å; T79-L81 PolarHBondContact O-N 3.36Å; T79-K82 PolarHBondContact O-N 3.06Å; T79-Q83 PolarHBondContact O-N 3.16Å
80K92Very high90.5Very high42 Ų4221 Ų2118%0.18310%0.104CC..Hα-helixtrans-57.5-45.8169.4165.8-178.5173.7-162.20111.1L12 V14 M28 C76 Y77 K82 Q83 L84 E131L12-K80 HydrophobicContact CD1-CG 4.4Å; L12-K80 HydrophobicContact CD2-CB 4.32Å; L12-K80 HydrophobicContact CD2-CD 4.17Å; L12-K80 HydrophobicContact CD2-CG 3.81Å; V14-K80 HydrophobicContact CG1-CB 4.23Å; M28-K80 HydrophobicContact CE-CB 4.3Å; M28-K80 HydrophobicContact SD-CB 4.13Å; M28-K80 HydrophobicContact SD-CD 4.26Å; C76-K80 PolarHBondContact O-N 3.08Å; C76-K80 VanDerWaalsContact O-N 3.07Å; Y77-K80 WeakPolarHBondContact O-CB 3.17Å; Y77-K80 PolarHBondContact O-N 3.43Å; K80-K82 PolarHBondContact O-N 2.84Å; K80-Q83 PolarHBondContact O-N 3.32Å; K80-L84 HydrophobicContact CG-CD1 4.33Å; K80-L84 WeakPolarHBondContact O-CG 3.25Å; K80-L84 PolarHBondContact O-N 3.28Å; K80-E131 IonicContact NZ-OE1 3.93Å; K80-E131 PolarHBondContact NZ-OE1 3.17Å; K80-E131 IonicContact NZ-OE2 3.81Å; K80-E131 PolarHBondContact NZ-OE2 3.42Å
81L92Very high90.6Very high3 Ų322.9 Ų22.92%0.01613%0.125CC..Hα-helixtrans-63.5-39.3178.5-64.5-169.2000112.9Y77 H78 T79 Q83 L84 G85 K183 A186 M193Y77-L81 HydrophobicContact CD1-CD1 4.14Å; Y77-L81 HydrophobicContact CD1-CG 4.33Å; Y77-L81 HydrophobicContact CE1-CD1 3.59Å; Y77-L81 HydrophobicContact CE1-CD2 4.37Å; Y77-L81 HydrophobicContact CE1-CG 4.01Å; Y77-L81 HydrophobicContact CE2-CD2 4.31Å; Y77-L81 WeakPolarHBondContact O-CG 3.46Å; Y77-L81 PolarHBondContact O-N 3.38Å; H78-L81 CarbonylContact O-C 3.43Å; H78-L81 WeakPolarHBondContact O-CB 3.23Å; H78-L81 PolarHBondContact O-N 3.02Å; H78-L81 VanDerWaalsContact O-N 3.1Å; T79-L81 VanDerWaalsContact C-N 3.33Å; T79-L81 PolarHBondContact O-N 3.36Å; L81-Q83 VanDerWaalsContact C-N 3.32Å; L81-L84 HydrophobicContact CD2-CD1 4.27Å; L81-L84 PolarHBondContact O-N 3.37Å; L81-G85 PolarHBondContact O-N 3.45Å; L81-K183 HydrophobicContact CD1-CB 4.04Å; L81-K183 WeakPolarHBondContact CD1-O 3.14Å; L81-K183 WeakPolarHBondContact CD2-O 3.38Å; L81-A186 HydrophobicContact CB-CB 3.59Å; L81-A186 PolarHBondContact O-N 2.78Å; L81-M193 HydrophobicContact CD1-CG 4.36Å; L81-M193 HydrophobicContact CD1-SD 4.11Å
82K91.8Very high90.2Very high6 Ų626.3 Ų26.33%0.02614%0.141CC..Hα-helixtrans-61.2-42.6174.6-74.4-175-66.2178.60110.6E17 H78 T79 K80 G85 Q86 R105 N106 A186E17-K82 IonicContact OE1-NZ 2.61Å; E17-K82 IonicContact OE2-NZ 3.9Å; E17-K82 PolarHBondContact OE2-NZ 3.18Å; H78-K82 WeakPolarHBondContact O-CG 3.3Å; H78-K82 PolarHBondContact O-N 3.44Å; T79-K82 PolarHBondContact O-N 3.06Å; K80-K82 PolarHBondContact O-N 2.84Å; K82-G85 PolarHBondContact O-N 3.3Å; K82-Q86 PolarHBondContact O-N 3.07Å; K82-R105 HydrophobicContact CD-CG 4.23Å; K82-N106 PolarHBondContact NZ-OD1 2.88Å; K82-A186 HydrophobicContact CG-CB 4.09Å
83Q92.1Very high89.7Confident54 Ų5431.9 Ų31.925%0.25218%0.177SC..Hα-helixtrans-65.7-40.1176.9-176.663.2500112.3L12 K13 T79 K80 L81 G85 Q86 Q87L12-Q83 HydrophobicContact CD1-CB 3.99Å; L12-Q83 HydrophobicContact CD1-CG 3.67Å; L12-Q83 HydrophobicContact CG-CG 4.41Å; K13-Q83 WeakPolarHBondContact O-CG 3.45Å; K13-Q83 PolarHBondContact O-NE2 3.3Å; T79-Q83 PolarHBondContact O-N 3.16Å; K80-Q83 PolarHBondContact O-N 3.32Å; L81-Q83 VanDerWaalsContact C-N 3.32Å; Q83-G85 VanDerWaalsContact C-N 3.28Å; Q83-G85 PolarHBondContact O-N 2.73Å; Q83-Q86 PolarHBondContact O-N 3.13Å; Q83-Q87 WeakPolarHBondContact O-CG 3.21Å; Q83-Q87 PolarHBondContact O-N 2.97Å
84L91.3Very high89.1Confident57 Ų5739.4 Ų39.430%0.29821%0.212SC..Hα-helixtrans-62.3-37.5172.9-68.3175.3000111.6L12 K80 L81 Q87 A88L12-L84 HydrophobicContact CD1-CD2 4.01Å; L12-L84 HydrophobicContact CD1-CG 4.25Å; K80-L84 HydrophobicContact CG-CD1 4.33Å; K80-L84 WeakPolarHBondContact O-CG 3.25Å; K80-L84 PolarHBondContact O-N 3.28Å; L81-L84 HydrophobicContact CD2-CD1 4.27Å; L81-L84 PolarHBondContact O-N 3.37Å; L84-Q87 PolarHBondContact O-N 3.31Å; L84-A88 WeakPolarHBondContact O-CB 3.45Å; L84-A88 PolarHBondContact O-N 3.47Å
85G90.8Very high88.4Confident0 Ų040.4 Ų40.40%022%0.218CC..Hα-helixtrans-65.9-41.717400000112.8L81 K82 Q83 A88 L89 A186L81-G85 PolarHBondContact O-N 3.45Å; K82-G85 PolarHBondContact O-N 3.3Å; Q83-G85 VanDerWaalsContact C-N 3.28Å; Q83-G85 PolarHBondContact O-N 2.73Å; G85-A88 WeakPolarHBondContact O-CB 3.42Å; G85-A88 PolarHBondContact O-N 2.91Å; G85-L89 WeakPolarHBondContact O-CG 3.17Å; G85-L89 PolarHBondContact O-N 3.28Å; G85-A186 WeakPolarHBondContact CA-O 3.39Å
86Q90.5Very high87.7Confident68 Ų6841.9 Ų41.932%0.31823%0.234SC..Hα-helixtrans-61.2-46.9173.9-172.660.653.500111.2K82 Q83 A88 L89 D90 P188K82-Q86 PolarHBondContact O-N 3.07Å; Q83-Q86 PolarHBondContact O-N 3.13Å; Q86-A88 VanDerWaalsContact C-N 3.26Å; Q86-A88 PolarHBondContact O-N 2.86Å; Q86-L89 PolarHBondContact O-N 2.75Å; Q86-L89 VanDerWaalsContact O-N 3.13Å; Q86-D90 PolarHBondContact NE2-OD1 3.37Å; Q86-D90 VanDerWaalsContact O-CG 3.22Å; Q86-D90 PolarHBondContact O-N 2.68Å; Q86-P188 HydrophobicContact CB-CB 4.33Å; Q86-P188 HydrophobicContact CB-CG 4.27Å; Q86-P188 VanDerWaalsContact OE1-CG 3.31Å
87Q91.3Very high87.3Confident38 Ų3845.9 Ų45.918%0.17826%0.261CS..Hα-helixtrans-60.5-36.2175.7-71.1-177.91.300112.5K10 P11 Q83 L84 A91K10-Q87 PolarHBondContact O-NE2 3.23Å; P11-Q87 PolarHBondContact O-NE2 2.98Å; Q83-Q87 WeakPolarHBondContact O-CG 3.21Å; Q83-Q87 PolarHBondContact O-N 2.97Å; L84-Q87 PolarHBondContact O-N 3.31Å; Q87-A91 WeakPolarHBondContact O-CB 3.09Å; Q87-A91 PolarHBondContact O-N 3.01Å; Q87-A91 VanDerWaalsContact O-N 3.15Å
88A90.2Very high86.9Confident16 Ų1646 Ų4613%0.13226%0.263CS..Hα-helixtrans-68.6-35.7176.100000112.5L84 G85 Q86 F200 F201L84-A88 WeakPolarHBondContact O-CB 3.45Å; L84-A88 PolarHBondContact O-N 3.47Å; G85-A88 WeakPolarHBondContact O-CB 3.42Å; G85-A88 PolarHBondContact O-N 2.91Å; Q86-A88 VanDerWaalsContact C-N 3.26Å; Q86-A88 PolarHBondContact O-N 2.86Å; A88-F200 HydrophobicContact CB-CE1 4.12Å; A88-F201 HydrophobicContact CB-CE1 4.37Å; A88-F201 HydrophobicContact CB-CZ 4.18Å
89L88.1Confident86.4Confident17 Ų1750 Ų509%0.08929%0.291CS..Hα-helixtrans-70.6-43.8172.9-71.6175.3000112G85 Q86 A91 Q92 L95 P188 F200 I204G85-L89 WeakPolarHBondContact O-CG 3.17Å; G85-L89 PolarHBondContact O-N 3.28Å; Q86-L89 PolarHBondContact O-N 2.75Å; Q86-L89 VanDerWaalsContact O-N 3.13Å; L89-A91 PolarHBondContact O-N 2.84Å; L89-A91 VanDerWaalsContact O-N 3.17Å; L89-Q92 CarbonylContact O-C 3.59Å; L89-Q92 WeakPolarHBondContact O-CA 3.49Å; L89-Q92 PolarHBondContact O-N 3.42Å; L89-Q92 VanDerWaalsContact O-O 3.14Å; L89-L95 HydrophobicContact CD2-CB 4.35Å; L89-P188 HydrophobicContact CD1-CG 3.9Å; L89-F200 HydrophobicContact CD1-CZ 3.94Å; L89-F200 HydrophobicContact CD2-CE1 4.23Å; L89-F200 HydrophobicContact CD2-CZ 4.11Å; L89-F200 HydrophobicContact CG-CE1 4.02Å; L89-F200 HydrophobicContact CG-CZ 3.77Å; L89-I204 HydrophobicContact CD1-CD1 4.45Å; L89-I204 HydrophobicContact CD2-CD1 4.48Å; L89-I204 HydrophobicContact CD2-CG1 4.11Å; L89-I204 HydrophobicContact CD2-CG2 4.2Å
90D87.4Confident85.7Confident80 Ų8052.3 Ų52.343%0.42830%0.302SS..Hα-helixtrans-59.3-29.8176.5-66.4-7000112Q86 Q92Q86-D90 PolarHBondContact NE2-OD1 3.37Å; Q86-D90 VanDerWaalsContact O-CG 3.22Å; Q86-D90 PolarHBondContact O-N 2.68Å; D90-Q92 VanDerWaalsContact C-N 3.25Å
91A87.8Confident84.3Confident66 Ų6652.3 Ų52.355%0.54531%0.31SS..THydrogen-bonded Turntrans-74.9-14175.500000113.3Q87 L89Q87-A91 WeakPolarHBondContact O-CB 3.09Å; Q87-A91 PolarHBondContact O-N 3.01Å; Q87-A91 VanDerWaalsContact O-N 3.15Å; L89-A91 PolarHBondContact O-N 2.84Å; L89-A91 VanDerWaalsContact O-N 3.17Å
92Q81.9Confident83.2Confident79 Ų7959.5 Ų59.537%0.36934%0.338SS..  trans-134.169.9-177.9-64-68.5-80.700109.9L89 D90 E94 L95 F201L89-Q92 CarbonylContact O-C 3.59Å; L89-Q92 WeakPolarHBondContact O-CA 3.49Å; L89-Q92 PolarHBondContact O-N 3.42Å; L89-Q92 VanDerWaalsContact O-O 3.14Å; D90-Q92 VanDerWaalsContact C-N 3.25Å; Q92-E94 PolarHBondContact O-N 2.85Å; Q92-E94 VanDerWaalsContact O-N 3.08Å; Q92-L95 HydrophobicContact CB-CB 4.48Å; Q92-L95 HydrophobicContact CB-CD1 3.68Å; Q92-L95 HydrophobicContact CB-CG 4.01Å; Q92-L95 HydrophobicContact CG-CD1 4.24Å; Q92-L95 WeakPolarHBondContact O-CB 3.39Å; Q92-L95 PolarHBondContact O-N 3.04Å; Q92-F201 HydrophobicContact CG-CE1 4.44Å; Q92-F201 HydrophobicContact CG-CZ 4.24Å
93P77Confident82Confident117 Ų11764.6 Ų64.676%0.7636%0.362SS*.THydrogen-bonded Turntrans-65.4-14.9-173.225.9-34.7000114.3L95P93-L95 PolarHBondContact O-N 3.03Å
94E78.4Confident81.1Confident159 Ų15965.2 Ų65.274%0.74337%0.367SS*.THydrogen-bonded Turntrans-70.3-19.1171.161.2-171.1-170.400113.3Q92Q92-E94 PolarHBondContact O-N 2.85Å; Q92-E94 VanDerWaalsContact O-N 3.08Å
95L75.9Confident80.6Confident34 Ų3465.5 Ų65.518%0.17836%0.364CS..SBendtrans-85.1118.5173.5-61.5177.2000108.7L89 Q92 P93 F201 I204 I205L89-L95 HydrophobicContact CD2-CB 4.35Å; Q92-L95 HydrophobicContact CB-CB 4.48Å; Q92-L95 HydrophobicContact CB-CD1 3.68Å; Q92-L95 HydrophobicContact CB-CG 4.01Å; Q92-L95 HydrophobicContact CG-CD1 4.24Å; Q92-L95 WeakPolarHBondContact O-CB 3.39Å; Q92-L95 PolarHBondContact O-N 3.04Å; P93-L95 PolarHBondContact O-N 3.03Å; L95-F201 HydrophobicContact CD1-CB 4.47Å; L95-F201 HydrophobicContact CD1-CD1 3.32Å; L95-F201 HydrophobicContact CD1-CE1 3.64Å; L95-F201 HydrophobicContact CD1-CG 4.03Å; L95-I204 HydrophobicContact CB-CG2 4.48Å; L95-I205 HydrophobicContact CD2-CD1 4.09Å; L95-I205 HydrophobicContact CD2-CG1 3.76Å
96G77.5Confident80.2Confident32 Ų3265.5 Ų65.533%0.3336%0.364SS..  trans-64.5-178175.600000113.3I204 N208G96-I204 WeakPolarHBondContact O-CG2 3.41Å; G96-N208 WeakPolarHBondContact CA-ND2 3.38Å; G96-N208 PolarHBondContact N-ND2 3.13Å
97S81.2Confident79.7Confident83 Ų8366.5 Ų66.558%0.5837%0.371SS*.  trans-83.6167.7178.959.80000112.7
98C84.1Confident79.3Confident8 Ų865.4 Ų65.45%0.05437%0.366CS..  trans-75.1128.3171.6-173.30000110.2C187 H203 I204C98-C187 WeakPolarHBondContact CB-SG 3.21Å; C98-H203 PolarHBondContact SG-NE2 3.04Å; C98-I204 HydrophobicContact CB-CD1 3.81Å
99S80.4Confident78.6Confident82 Ų8267.9 Ų67.957%0.57338%0.38SS*.  trans-92.1-2.4176.962.40000114Q207S99-Q207 WeakPolarHBondContact OG-CB 3.38Å
100I77.7Confident77.8Confident58 Ų5872.4 Ų72.430%0.29741%0.405SS..SBendtrans-73.6135.4176.9-66.6162.2000109.3C190 Q207I100-C190 HydrophobicContact CB-CB 3.73Å; I100-C190 HydrophobicContact CG2-CB 3.64Å; I100-Q207 VanDerWaalsContact CD1-CD 3.47Å; I100-Q207 HydrophobicContact CD1-CG 3.91Å; I100-Q207 VanDerWaalsContact CD1-NE2 3.32Å; I100-Q207 HydrophobicContact CG1-CG 4.12Å
101A62.5Low77Confident42 Ų4269.7 Ų69.735%0.34739%0.39SS..  trans-53138.5-169.400000114.5H103A101-H103 VanDerWaalsContact C-N 3.27Å; A101-H103 WeakPolarHBondContact CB-CE1 3.26Å; A101-H103 WeakPolarHBondContact CB-ND1 3.46Å; A101-H103 PolarHBondContact O-N 2.98Å
102Y69.8Low75.6Confident154 Ų15469.8 Ų69.860%0.60439%0.385SS*.G310 helixtrans-65.8-20.8-176.2-74.5-89.5000114.6N104 R105Y102-N104 PolarHBondContact O-N 2.93Å; Y102-N104 VanDerWaalsContact O-N 3.17Å; Y102-R105 WeakPolarHBondContact O-CB 3.48Å; Y102-R105 PolarHBondContact O-N 3.39Å
103H66.3Low75.4Confident112 Ų11271.8 Ų71.852%0.51940%0.398SS..G310 helixtrans-67-16.3-175.463.6-95.8000114.4A101A101-H103 VanDerWaalsContact C-N 3.27Å; A101-H103 WeakPolarHBondContact CB-CE1 3.26Å; A101-H103 WeakPolarHBondContact CB-ND1 3.46Å; A101-H103 PolarHBondContact O-N 2.98Å
104N72.5Confident75.7Confident68 Ų6869.4 Ų69.436%0.36438%0.379SS..G310 helixtrans-101.69.3176.3-62.4-40.6000112.6Y102 N106 I107Y102-N104 PolarHBondContact O-N 2.93Å; Y102-N104 VanDerWaalsContact O-N 3.17Å; N104-N106 PolarHBondContact O-N 2.85Å; N104-I107 HydrophobicContact CB-CD1 3.92Å; N104-I107 HydrophobicContact CB-CG1 4.46Å; N104-I107 PolarHBondContact O-N 3.06Å; N104-I107 WeakPolarHBondContact OD1-CD1 3.47Å
105R81.1Confident76.1Confident62 Ų6263.4 Ų63.423%0.23435%0.351CS..THydrogen-bonded Turntrans-63.5-25.7-169.2178.6175.4172.4-113.8-6.2113.6E17 H78 K82 Y102 P188 G189 G191E17-R105 VanDerWaalsContact CD-NH1 3.34Å; E17-R105 IonicContact OE1-CZ 3.91Å; E17-R105 IonicContact OE1-NH1 2.65Å; E17-R105 PolarHBondContact OE1-NH1 2.99Å; E17-R105 IonicContact OE1-NH2 3.23Å; E17-R105 PolarHBondContact OE1-NH2 3.44Å; E17-R105 IonicContact OE2-CZ 3.3Å; E17-R105 IonicContact OE2-NH1 2.97Å; E17-R105 PolarHBondContact OE2-NH1 3.1Å; H78-R105 PolarHBondContact CE1-O 3.47Å; K82-R105 HydrophobicContact CD-CG 4.23Å; Y102-R105 WeakPolarHBondContact O-CB 3.48Å; Y102-R105 PolarHBondContact O-N 3.39Å; R105-P188 VanDerWaalsContact CD-O 3.26Å; R105-P188 WeakPolarHBondContact CD-O 2.98Å; R105-P188 PolarHBondContact NE-O 3.3Å; R105-G189 WeakPolarHBondContact CB-O 3.16Å; R105-G189 WeakPolarHBondContact CD-O 3.46Å; R105-G189 WeakPolarHBondContact CG-O 3.1Å; R105-G191 WeakPolarHBondContact O-CA 3.21Å
106N83.1Confident76.7Confident1 Ų165.3 Ų65.31%0.00536%0.363CS..THydrogen-bonded Turntrans-117.113.7-176.6-71-26.7000112.7E17 R55 H75 K82 N104 I108E17-N106 PolarHBondContact OE2-ND2 2.94Å; E17-N106 PolarHBondContact OE2-OD1 3.35Å; R55-N106 WeakPolarHBondContact O-CB 3.46Å; R55-N106 PolarHBondContact O-ND2 3.06Å; H75-N106 PolarHBondContact CE1-O 3.27Å; K82-N106 PolarHBondContact NZ-OD1 2.88Å; N104-N106 PolarHBondContact O-N 2.85Å; N106-I108 PolarHBondContact O-N 3.4Å
107I80.2Confident77.3Confident89 Ų8964.2 Ų64.246%0.45635%0.351SS..  trans-76.2112.6173-59.1179.9000108.1N104N104-I107 HydrophobicContact CB-CD1 3.92Å; N104-I107 HydrophobicContact CB-CG1 4.46Å; N104-I107 PolarHBondContact O-N 3.06Å; N104-I107 WeakPolarHBondContact OD1-CD1 3.47Å
108I81.3Confident77.7Confident15 Ų1564.2 Ų64.28%0.07734%0.344CS..PPolyproline II helixtrans-102.3153.717759.7167.2000110.4H71 F74 H78 N106H71-I108 VanDerWaalsContact CE1-CD1 3.46Å; H71-I108 WeakPolarHBondContact CE1-CD1 3.43Å; H71-I108 VanDerWaalsContact CE1-CG1 3.43Å; H71-I108 WeakPolarHBondContact CE1-CG1 3.44Å; H71-I108 WeakPolarHBondContact O-CD1 3.08Å; F74-I108 HydrophobicContact CB-CD1 3.83Å; F74-I108 HydrophobicContact CD1-CB 3.7Å; F74-I108 HydrophobicContact CD1-CD1 3.6Å; F74-I108 HydrophobicContact CD1-CG1 4.26Å; F74-I108 HydrophobicContact CD1-CG2 3.73Å; F74-I108 HydrophobicContact CE1-CB 3.88Å; F74-I108 HydrophobicContact CE1-CG2 3.91Å; F74-I108 HydrophobicContact CG-CD1 4.08Å; H78-I108 HydrophobicContact CB-CG2 4.2Å; N106-I108 PolarHBondContact O-N 3.4Å
109P77.4Confident77.9Confident67 Ų6765.5 Ų65.544%0.43535%0.348SS..PPolyproline II helixtrans-57.3153.1173.8-21.633.4000110.9I111 M193P109-I111 WeakPolarHBondContact O-CG1 3.49Å; P109-M193 HydrophobicContact CG-CE 3.62Å
110D70.8Confident78.2Confident112 Ų11266.9 Ų66.960%0.59935%0.345SS*.PPolyproline II helixtrans-67.9133.3169.4-166.31.5000109.9
111I69.2Low78.3Confident24 Ų2473.3 Ų73.312%0.12337%0.374CS..  trans-131.576.8-174.4-51.9170.1000107.6F74 P109 D113 F115F74-I111 HydrophobicContact CB-CD1 3.69Å; F74-I111 HydrophobicContact CD1-CD1 4Å; F74-I111 HydrophobicContact CD2-CD1 2.98Å; F74-I111 HydrophobicContact CD2-CG1 4.43Å; F74-I111 HydrophobicContact CE1-CD1 4.39Å; F74-I111 HydrophobicContact CE2-CD1 3.48Å; F74-I111 VanDerWaalsContact CE2-CD1 3.48Å; F74-I111 HydrophobicContact CG-CD1 3.27Å; F74-I111 HydrophobicContact CZ-CD1 4.16Å; P109-I111 WeakPolarHBondContact O-CG1 3.49Å; I111-D113 VanDerWaalsContact C-N 3.28Å; I111-D113 PolarHBondContact O-N 3.43Å; I111-F115 HydrophobicContact CD1-CZ 4.43Å; I111-F115 HydrophobicContact CG2-CE2 3.99Å; I111-F115 HydrophobicContact CG2-CZ 3.76Å
112P60.2Low79.5Confident67 Ų6772.6 Ų72.644%0.43537%0.366SS..  trans-72.8-23.4-175.427.7-34.5000112.4R70R70-P112 VanDerWaalsContact CZ-O 3.25Å; R70-P112 PolarHBondContact NH1-O 3.06Å; R70-P112 PolarHBondContact NH2-O 3.38Å
113D76.9Confident80.2Confident122 Ų12274.4 Ų74.465%0.65238%0.38SS*.SBendtrans-114.9153.7-169.4-64.3-45.2000113.9I111I111-D113 VanDerWaalsContact C-N 3.28Å; I111-D113 PolarHBondContact O-N 3.43Å
114N83.9Confident81.2Confident66 Ų6674.6 Ų74.635%0.35338%0.381SS..  trans-70.8150.7173.2-65.7-14.1000111.3R70 V116 P126R70-N114 WeakPolarHBondContact CD-OD1 3.5Å; R70-N114 PolarHBondContact NH1-OD1 2.87Å; N114-V116 PolarHBondContact O-N 2.97Å; N114-P126 HydrophobicContact CB-CB 3.6Å
115F85.6Confident81.8Confident33 Ų3374.6 Ų74.615%0.14539%0.391CS..BIsolated β-bridgetrans-80.4112.2177.8-60.9-90.1000110.4I111 Y127 P130 F133I111-F115 HydrophobicContact CD1-CZ 4.43Å; I111-F115 HydrophobicContact CG2-CE2 3.99Å; I111-F115 HydrophobicContact CG2-CZ 3.76Å; F115-Y127 WeakPolarHBondContact CD2-O 3.38Å; F115-Y127 PolarHBondContact N-O 3.47Å; F115-Y127 PolarHBondContact O-N 3.24Å; F115-P130 HydrophobicContact CD2-CG 4.5Å; F115-P130 HydrophobicContact CE2-CB 4.09Å; F115-P130 HydrophobicContact CE2-CG 3.63Å; F115-P130 HydrophobicContact CZ-CB 4.04Å; F115-P130 HydrophobicContact CZ-CG 3.81Å; F115-F133 HydrophobicContact CB-CB 3.78Å; F115-F133 HydrophobicContact CB-CD1 3.73Å; F115-F133 HydrophobicContact CB-CD2 3.62Å; F115-F133 HydrophobicContact CB-CE1 4.17Å; F115-F133 HydrophobicContact CB-CE2 4.08Å; F115-F133 HydrophobicContact CB-CG 3.42Å; F115-F133 VanDerWaalsContact CB-CG 3.42Å; F115-F133 HydrophobicContact CB-CZ 4.33Å; F115-F133 AromaticContact CD1-CD1 3.78Å; F115-F133 HydrophobicContact CD1-CD1 3.78Å; F115-F133 HydrophobicContact CD1-CE1 4.07Å; F115-F133 HydrophobicContact CD1-CG 4.32Å; F115-F133 HydrophobicContact CG-CB 4.24Å; F115-F133 HydrophobicContact CG-CD1 4.01Å; F115-F133 HydrophobicContact CG-CG 4.07Å
116V88.5Confident82.1Confident74 Ų7475.1 Ų75.145%0.44840%0.402SS..  trans-104.6130.3-179.1-176.40000110.4N114 L118 P126N114-V116 PolarHBondContact O-N 2.97Å; V116-L118 HydrophobicContact CG1-CD2 3.97Å; V116-P126 HydrophobicContact CG2-CB 4.09Å; V116-P126 HydrophobicContact CG2-CG 4.2Å
117C91.1Very high82.3Confident10 Ų1077.1 Ų77.17%0.06841%0.41CS..  trans-83.8122.5172.1-170.20000109.6W119 F133 H136C117-W119 VanDerWaalsContact SG-CB 3.6Å; C117-F133 HydrophobicContact CB-CE2 4.19Å; C117-H136 WeakPolarHBondContact CB-NE2 3.49Å; C117-H136 PolarHBondContact SG-NE2 3.46Å
118L89.7Confident82.4Confident83 Ų8375.9 Ų75.944%0.43540%0.402SS..  trans-10428.7178.1-57.6177.1000111.6V116 W159 K160V116-L118 HydrophobicContact CG1-CD2 3.97Å; L118-W159 HydrophobicContact CB-CZ2 4.08Å; L118-K160 HydrophobicContact CB-CB 4.07Å; L118-K160 PolarHBondContact O-N 3.23Å
119W88.8Confident82.6Confident35 Ų3575.6 Ų75.613%0.13340%0.4CS..BIsolated β-bridgetrans-72.6140.5173.3-165.5-81000110.1C117 E121 C122 H140 I144 G158 W159 L172 L176C117-W119 VanDerWaalsContact SG-CB 3.6Å; W119-E121 PolarHBondContact O-N 3.26Å; W119-C122 HydrophobicContact CB-CB 3.86Å; W119-C122 WeakPolarHBondContact O-CB 3.46Å; W119-C122 PolarHBondContact O-N 2.57Å; W119-H140 AromaticContact CD1-CE1 3.63Å; W119-H140 AromaticContact CD1-CG 3.95Å; W119-H140 AromaticContact CD1-ND1 3.59Å; W119-H140 HydrophobicContact CD2-CB 3.77Å; W119-H140 AromaticContact CD2-CD2 3.79Å; W119-H140 AromaticContact CD2-CG 3.59Å; W119-H140 AromaticContact CE2-CG 3.89Å; W119-H140 HydrophobicContact CE3-CB 3.82Å; W119-H140 AromaticContact CE3-CD2 3.99Å; W119-H140 AromaticContact CE3-CG 3.96Å; W119-H140 HydrophobicContact CG-CB 4.4Å; W119-H140 AromaticContact CG-CD2 3.66Å; W119-H140 AromaticContact CG-CE1 3.73Å; W119-H140 AromaticContact CG-CG 3.71Å; W119-H140 AromaticContact CG-ND1 3.79Å; W119-H140 AromaticContact CG-NE2 3.68Å; W119-H140 HydrophobicContact CH2-CB 4.03Å; W119-H140 HydrophobicContact CZ2-CB 3.96Å; W119-H140 HydrophobicContact CZ3-CB 3.93Å; W119-H140 AromaticContact NE1-ND1 3.79Å; W119-I144 HydrophobicContact CZ2-CD1 4.39Å; W119-G158 CarbonylContact C-O 3.29Å; W119-G158 WeakPolarHBondContact CA-O 3.17Å; W119-W159 AromaticContact CE3-CE3 3.98Å; W119-W159 HydrophobicContact CE3-CE3 3.98Å; W119-L172 HydrophobicContact CH2-CD2 4.33Å; W119-L176 HydrophobicContact CE3-CD1 4.5Å; W119-L176 HydrophobicContact CE3-CD2 4.4Å; W119-L176 HydrophobicContact CH2-CD1 4.48Å; W119-L176 HydrophobicContact CH2-CD2 4.42Å; W119-L176 HydrophobicContact CZ3-CD1 3.69Å; W119-L176 HydrophobicContact CZ3-CD2 3.57Å; W119-L176 HydrophobicContact CZ3-CG 4.26Å
120E85.8Confident83.1Confident110 Ų11072.4 Ų72.451%0.51438%0.38SS..THydrogen-bonded Turntrans-52.1128.3178.3-76.9174.8176.900110.4C122 G158E120-C122 PolarHBondContact O-N 3.39Å; E120-C122 VanDerWaalsContact O-N 3.11Å; E120-G158 WeakPolarHBondContact CG-O 3.38Å; E120-G158 PolarHBondContact N-O 2.84Å
121E80.8Confident83.8Confident194 Ų19468.2 Ų68.291%0.90736%0.357SS*.THydrogen-bonded Turntrans6117.9179.6-51.9179.1171.300114.7W119 E123W119-E121 PolarHBondContact O-N 3.26Å; E121-E123 PolarHBondContact O-N 2.83Å
122C87.3Confident84.7Confident26 Ų2670.9 Ų70.918%0.17637%0.365CS..  trans-84.3102174.2-178.20000111.4W119 E120 Q124 H136W119-C122 HydrophobicContact CB-CB 3.86Å; W119-C122 WeakPolarHBondContact O-CB 3.46Å; W119-C122 PolarHBondContact O-N 2.57Å; E120-C122 PolarHBondContact O-N 3.39Å; E120-C122 VanDerWaalsContact O-N 3.11Å; C122-Q124 VanDerWaalsContact C-N 3.27Å; C122-Q124 PolarHBondContact O-N 3.16Å; C122-H136 PolarHBondContact SG-CE1 3.39Å; C122-H136 PolarHBondContact SG-NE2 3.2Å
123E84.3Confident86.2Confident192 Ų19268 Ų6890%0.89735%0.346SS*.  trans-86.916179.2-59.7-176.9169.900114.1E121E121-E123 PolarHBondContact O-N 2.83Å
124Q86.4Confident86.8Confident116 Ų11663.4 Ų63.454%0.54232%0.32SS..PPolyproline II helixtrans-70.3137.9179.6-67.8-62.7-35.400111.6C122 Y127C122-Q124 VanDerWaalsContact C-N 3.27Å; C122-Q124 PolarHBondContact O-N 3.16Å; Q124-Y127 HydrophobicContact CB-CE2 4.16Å
125A86.1Confident87Confident69 Ų6966.4 Ų66.457%0.5733%0.326SS*.PPolyproline II helixtrans-62.5156.8175.200000111.4Y127A125-Y127 PolarHBondContact O-N 3.37Å
126P86.4Confident87.2Confident72 Ų7266 Ų6647%0.46833%0.325SS..PPolyproline II helixtrans-55.5138.9173.8-22.933.4000111.6N114 V116N114-P126 HydrophobicContact CB-CB 3.6Å; V116-P126 HydrophobicContact CG2-CB 4.09Å; V116-P126 HydrophobicContact CG2-CG 4.2Å
127Y86.9Confident87.2Confident43 Ų4362.8 Ų62.817%0.16931%0.305CS..BIsolated β-bridgetrans-94.7132.4179.4-65.5-91.4000110.3F115 Q124 A125 W132 F133 H136F115-Y127 WeakPolarHBondContact CD2-O 3.38Å; F115-Y127 PolarHBondContact N-O 3.47Å; F115-Y127 PolarHBondContact O-N 3.24Å; Q124-Y127 HydrophobicContact CB-CE2 4.16Å; A125-Y127 PolarHBondContact O-N 3.37Å; Y127-W132 HydrophobicContact CD1-CB 3.85Å; Y127-W132 HydrophobicContact CE1-CB 4.26Å; Y127-F133 HydrophobicContact CD2-CB 4.23Å; Y127-F133 AromaticContact CD2-CD2 3.78Å; Y127-F133 HydrophobicContact CD2-CD2 3.78Å; Y127-F133 HydrophobicContact CE2-CD2 4.41Å; Y127-F133 HydrophobicContact CG-CB 4.05Å; Y127-F133 HydrophobicContact CG-CD2 4.42Å; Y127-H136 HydrophobicContact CE1-CB 4.33Å; Y127-H136 HydrophobicContact CE2-CB 4.09Å; Y127-H136 AromaticContact CE2-CD2 3.8Å; Y127-H136 AromaticContact CE2-CG 3.83Å; Y127-H136 AromaticContact CZ-CG 3.67Å; Y127-H136 PolarHBondContact OH-ND1 2.89Å
128E83.6Confident87.1Confident63 Ų6365.7 Ų65.729%0.29432%0.318SS..SBendtrans-83.1-30.8169.1-70.9166-16200111.7R69 R70 L73R69-E128 IonicContact CZ-OE2 3.47Å; R69-E128 IonicContact NE-OE2 3.73Å; R69-E128 IonicContact NH1-OE2 3.29Å; R69-E128 PolarHBondContact NH1-OE2 2.97Å; R70-E128 HydrophobicContact CG-CB 3.86Å; R70-E128 HydrophobicContact CG-CG 4.01Å; L73-E128 HydrophobicContact CD1-CB 4.34Å
129N85.5Confident87.1Confident9 Ų966 Ų665%0.04832%0.318CS..  trans-94.4120-178.8-166.7-36.3000111.1L73 E131 W132 F133L73-N129 HydrophobicContact CB-CB 4.49Å; L73-N129 HydrophobicContact CD1-CB 3.98Å; N129-E131 VanDerWaalsContact C-N 3.29Å; N129-E131 PolarHBondContact O-N 3.16Å; N129-E131 VanDerWaalsContact OD1-CB 3.27Å; N129-E131 WeakPolarHBondContact OD1-CB 3.33Å; N129-E131 PolarHBondContact OD1-N 3.46Å; N129-W132 HydrophobicContact CB-CB 4.26Å; N129-W132 HydrophobicContact CB-CG 3.93Å; N129-W132 PolarHBondContact ND2-NE1 2.86Å; N129-W132 PolarHBondContact O-N 3Å; N129-F133 PolarHBondContact O-N 3.34Å; N129-F133 VanDerWaalsContact O-N 3.13Å
130P86.8Confident87Confident0 Ų065.9 Ų65.90%032%0.319CS..Hα-helixtrans-59-37.7177.1-18.226.5000113.3F74 Y77 F115 W132 F133 Y134F74-P130 HydrophobicContact CB-CG 4.11Å; F74-P130 HydrophobicContact CD2-CB 4.14Å; F74-P130 HydrophobicContact CD2-CG 3.44Å; F74-P130 VanDerWaalsContact CD2-CG 3.44Å; F74-P130 HydrophobicContact CE2-CG 4.3Å; F74-P130 HydrophobicContact CG-CG 4.19Å; Y77-P130 HydrophobicContact CD1-CB 4.26Å; Y77-P130 HydrophobicContact CG-CB 4.19Å; F115-P130 HydrophobicContact CD2-CG 4.5Å; F115-P130 HydrophobicContact CE2-CB 4.09Å; F115-P130 HydrophobicContact CE2-CG 3.63Å; F115-P130 HydrophobicContact CZ-CB 4.04Å; F115-P130 HydrophobicContact CZ-CG 3.81Å; P130-W132 VanDerWaalsContact C-N 3.33Å; P130-W132 PolarHBondContact O-N 3.46Å; P130-F133 PolarHBondContact O-N 3.01Å; P130-Y134 HydrophobicContact CB-CD2 4.28Å; P130-Y134 HydrophobicContact CB-CE2 3.81Å; P130-Y134 WeakPolarHBondContact O-CD2 3.39Å; P130-Y134 PolarHBondContact O-N 3.41Å
131E85.9Confident87.1Confident25 Ų2560.7 Ų60.712%0.11729%0.294CS..Hα-helixtrans-61-43.5-179.8176.269.8-176.800111.4M28 Y77 K80 N129 R135M28-E131 HydrophobicContact CG-CG 3.99Å; Y77-E131 HydrophobicContact CD2-CB 4.21Å; Y77-E131 WeakPolarHBondContact CD2-OE2 3.41Å; K80-E131 IonicContact NZ-OE1 3.93Å; K80-E131 PolarHBondContact NZ-OE1 3.17Å; K80-E131 IonicContact NZ-OE2 3.81Å; K80-E131 PolarHBondContact NZ-OE2 3.42Å; N129-E131 VanDerWaalsContact C-N 3.29Å; N129-E131 PolarHBondContact O-N 3.16Å; N129-E131 VanDerWaalsContact OD1-CB 3.27Å; N129-E131 WeakPolarHBondContact OD1-CB 3.33Å; N129-E131 PolarHBondContact OD1-N 3.46Å; E131-R135 VanDerWaalsContact O-CB 3.29Å; E131-R135 WeakPolarHBondContact O-CB 3.21Å; E131-R135 PolarHBondContact O-N 3.01Å
132W88.5Confident87.3Confident79 Ų7954.8 Ų54.830%0.29927%0.269SS..Hα-helixtrans-69.1-40178.6-57.3141.7000111.6E29 Y127 N129 P130 R135 H136E29-W132 HydrophobicContact CB-CH2 4.45Å; E29-W132 HydrophobicContact CG-CH2 3.35Å; E29-W132 HydrophobicContact CG-CZ2 3.87Å; E29-W132 HydrophobicContact CG-CZ3 4.38Å; Y127-W132 HydrophobicContact CD1-CB 3.85Å; Y127-W132 HydrophobicContact CE1-CB 4.26Å; N129-W132 HydrophobicContact CB-CB 4.26Å; N129-W132 HydrophobicContact CB-CG 3.93Å; N129-W132 PolarHBondContact ND2-NE1 2.86Å; N129-W132 PolarHBondContact O-N 3Å; P130-W132 VanDerWaalsContact C-N 3.33Å; P130-W132 PolarHBondContact O-N 3.46Å; W132-R135 PolarHBondContact O-N 3Å; W132-H136 VanDerWaalsContact O-CB 3.27Å; W132-H136 WeakPolarHBondContact O-CB 3.43Å; W132-H136 PolarHBondContact O-N 3.03Å
133F90.8Very high87.2Confident8 Ų857.6 Ų57.64%0.03529%0.289CS..Hα-helixtrans-58.9-52.6175.1175.3-114.1000112.2F115 C117 Y127 N129 P130 R135 H136 V137 W159 T180F115-F133 HydrophobicContact CB-CB 3.78Å; F115-F133 HydrophobicContact CB-CD1 3.73Å; F115-F133 HydrophobicContact CB-CD2 3.62Å; F115-F133 HydrophobicContact CB-CE1 4.17Å; F115-F133 HydrophobicContact CB-CE2 4.08Å; F115-F133 HydrophobicContact CB-CG 3.42Å; F115-F133 VanDerWaalsContact CB-CG 3.42Å; F115-F133 HydrophobicContact CB-CZ 4.33Å; F115-F133 AromaticContact CD1-CD1 3.78Å; F115-F133 HydrophobicContact CD1-CD1 3.78Å; F115-F133 HydrophobicContact CD1-CE1 4.07Å; F115-F133 HydrophobicContact CD1-CG 4.32Å; F115-F133 HydrophobicContact CG-CB 4.24Å; F115-F133 HydrophobicContact CG-CD1 4.01Å; F115-F133 HydrophobicContact CG-CG 4.07Å; C117-F133 HydrophobicContact CB-CE2 4.19Å; Y127-F133 HydrophobicContact CD2-CB 4.23Å; Y127-F133 AromaticContact CD2-CD2 3.78Å; Y127-F133 HydrophobicContact CD2-CD2 3.78Å; Y127-F133 HydrophobicContact CE2-CD2 4.41Å; Y127-F133 HydrophobicContact CG-CB 4.05Å; Y127-F133 HydrophobicContact CG-CD2 4.42Å; N129-F133 PolarHBondContact O-N 3.34Å; N129-F133 VanDerWaalsContact O-N 3.13Å; P130-F133 PolarHBondContact O-N 3.01Å; F133-R135 VanDerWaalsContact C-N 3.34Å; F133-R135 PolarHBondContact O-N 2.53Å; F133-H136 WeakPolarHBondContact O-CB 3.48Å; F133-H136 PolarHBondContact O-N 2.77Å; F133-H136 VanDerWaalsContact O-N 3.16Å; F133-V137 HydrophobicContact CD2-CG2 4.29Å; F133-V137 HydrophobicContact CE1-CG2 4.36Å; F133-V137 HydrophobicContact CE2-CG2 3.88Å; F133-V137 HydrophobicContact CZ-CG2 3.93Å; F133-V137 WeakPolarHBondContact O-CG2 3.4Å; F133-V137 PolarHBondContact O-N 3.32Å; F133-W159 HydrophobicContact CZ-CH2 4.3Å; F133-T180 HydrophobicContact CE1-CG2 3.89Å; F133-T180 HydrophobicContact CZ-CG2 4.02Å
134Y89.5Confident87.3Confident24 Ų2450.3 Ų50.39%0.09426%0.255CS..Hα-helixtrans-66.3-37.3-178.4-62.2-54.6000112.1Y77 P130 H136 V137 E138 E182Y77-Y134 HydrophobicContact CD1-CE2 4.46Å; Y77-Y134 HydrophobicContact CE1-CD2 4.22Å; Y77-Y134 AromaticContact CE1-CE2 3.72Å; Y77-Y134 HydrophobicContact CE1-CE2 3.72Å; Y77-Y134 AromaticContact CE2-CD2 3.78Å; Y77-Y134 HydrophobicContact CE2-CD2 3.78Å; Y77-Y134 HydrophobicContact CE2-CE2 4.13Å; Y77-Y134 AromaticContact CZ-CD2 3.56Å; Y77-Y134 AromaticContact CZ-CE2 3.52Å; Y77-Y134 WeakPolarHBondContact OH-CD2 3.43Å; Y77-Y134 WeakPolarHBondContact OH-CE2 3.26Å; P130-Y134 HydrophobicContact CB-CD2 4.28Å; P130-Y134 HydrophobicContact CB-CE2 3.81Å; P130-Y134 WeakPolarHBondContact O-CD2 3.39Å; P130-Y134 PolarHBondContact O-N 3.41Å; Y134-H136 VanDerWaalsContact C-N 3.34Å; Y134-V137 PolarHBondContact O-N 2.82Å; Y134-E138 PolarHBondContact O-N 2.69Å; Y134-E182 HydrophobicContact CD1-CB 3.75Å; Y134-E182 HydrophobicContact CD1-CG 3.68Å; Y134-E182 HydrophobicContact CD2-CG 4.15Å; Y134-E182 HydrophobicContact CE1-CB 3.56Å; Y134-E182 HydrophobicContact CE1-CG 3.82Å; Y134-E182 HydrophobicContact CE2-CG 4.3Å; Y134-E182 HydrophobicContact CG-CB 4.45Å; Y134-E182 HydrophobicContact CG-CG 3.86Å
135R88.1Confident86.9Confident129 Ų12953 Ų5349%0.48727%0.268SS..Hα-helixtrans-62.7-41.4172.6-176.6-179.8170-173.2-2.2111.5E29 E131 W132 F133 E138 M139E29-R135 IonicContact OE1-NH1 3.24Å; E131-R135 VanDerWaalsContact O-CB 3.29Å; E131-R135 WeakPolarHBondContact O-CB 3.21Å; E131-R135 PolarHBondContact O-N 3.01Å; W132-R135 PolarHBondContact O-N 3Å; F133-R135 VanDerWaalsContact C-N 3.34Å; F133-R135 PolarHBondContact O-N 2.53Å; R135-E138 WeakPolarHBondContact O-CB 3.31Å; R135-E138 PolarHBondContact O-N 3.3Å; R135-M139 WeakPolarHBondContact O-CG 3.29Å; R135-M139 PolarHBondContact O-N 2.89Å; R135-M139 VanDerWaalsContact O-N 3.07Å
136H90.6Very high86.5Confident25 Ų2552.1 Ų52.112%0.11625%0.253CS..Hα-helixtrans-61.7-46.4175164.875000111.5C117 C122 Y127 W132 F133 Y134 E138 M139 H140C117-H136 WeakPolarHBondContact CB-NE2 3.49Å; C117-H136 PolarHBondContact SG-NE2 3.46Å; C122-H136 PolarHBondContact SG-CE1 3.39Å; C122-H136 PolarHBondContact SG-NE2 3.2Å; Y127-H136 HydrophobicContact CE1-CB 4.33Å; Y127-H136 HydrophobicContact CE2-CB 4.09Å; Y127-H136 AromaticContact CE2-CD2 3.8Å; Y127-H136 AromaticContact CE2-CG 3.83Å; Y127-H136 AromaticContact CZ-CG 3.67Å; Y127-H136 PolarHBondContact OH-ND1 2.89Å; W132-H136 VanDerWaalsContact O-CB 3.27Å; W132-H136 WeakPolarHBondContact O-CB 3.43Å; W132-H136 PolarHBondContact O-N 3.03Å; F133-H136 WeakPolarHBondContact O-CB 3.48Å; F133-H136 PolarHBondContact O-N 2.77Å; F133-H136 VanDerWaalsContact O-N 3.16Å; Y134-H136 VanDerWaalsContact C-N 3.34Å; H136-E138 VanDerWaalsContact C-N 3.26Å; H136-E138 PolarHBondContact O-N 2.96Å; H136-M139 VanDerWaalsContact O-CB 3.28Å; H136-M139 WeakPolarHBondContact O-CB 3.3Å; H136-M139 PolarHBondContact O-N 3.34Å; H136-H140 AromaticContact CE1-CE1 3.98Å; H136-H140 AromaticContact CE1-NE2 3.35Å; H136-H140 PolarHBondContact CE1-NE2 3.18Å; H136-H140 AromaticContact NE2-CD2 3.81Å; H136-H140 AromaticContact NE2-NE2 3.12Å; H136-H140 PolarHBondContact NE2-NE2 2.94Å; H136-H140 VanDerWaalsContact NE2-NE2 3.12Å
137V89.2Confident86Confident7 Ų751.8 Ų51.84%0.04225%0.251CS..Hα-helixtrans-62.2-36.2176.9175.80000111.4F133 Y134 M139 H140 W159 L176 T180F133-V137 HydrophobicContact CD2-CG2 4.29Å; F133-V137 HydrophobicContact CE1-CG2 4.36Å; F133-V137 HydrophobicContact CE2-CG2 3.88Å; F133-V137 HydrophobicContact CZ-CG2 3.93Å; F133-V137 WeakPolarHBondContact O-CG2 3.4Å; F133-V137 PolarHBondContact O-N 3.32Å; Y134-V137 PolarHBondContact O-N 2.82Å; V137-M139 VanDerWaalsContact C-N 3.31Å; V137-M139 PolarHBondContact O-N 3.41Å; V137-H140 PolarHBondContact O-N 3.46Å; V137-W159 HydrophobicContact CG1-CZ3 4Å; V137-W159 HydrophobicContact CG2-CH2 4.18Å; V137-W159 HydrophobicContact CG2-CZ3 4.04Å; V137-L176 HydrophobicContact CG1-CB 4.09Å; V137-L176 HydrophobicContact CG1-CD1 3.68Å; V137-L176 HydrophobicContact CG1-CG 4.45Å; V137-T180 HydrophobicContact CB-CG2 4.39Å; V137-T180 HydrophobicContact CG1-CG2 3.95Å; V137-T180 HydrophobicContact CG2-CG2 4.01Å
138E88.8Confident85.2Confident70 Ų7057.1 Ų57.133%0.32729%0.289SS..Hα-helixtrans-63.3-35.1173.1-171.9179.9-178.800112.3Y134 R135 H136 H140 T141 L142 R173Y134-E138 PolarHBondContact O-N 2.69Å; R135-E138 WeakPolarHBondContact O-CB 3.31Å; R135-E138 PolarHBondContact O-N 3.3Å; H136-E138 VanDerWaalsContact C-N 3.26Å; H136-E138 PolarHBondContact O-N 2.96Å; E138-H140 VanDerWaalsContact C-N 3.27Å; E138-H140 PolarHBondContact O-N 2.75Å; E138-T141 WeakPolarHBondContact O-CB 3.38Å; E138-T141 PolarHBondContact O-N 3.46Å; E138-T141 PolarHBondContact O-OG1 3.32Å; E138-L142 HydrophobicContact CG-CD1 4.41Å; E138-L142 PolarHBondContact O-N 3.48Å; E138-R173 IonicContact OE1-CZ 2.75Å; E138-R173 IonicContact OE1-NE 3.37Å; E138-R173 IonicContact OE1-NH1 3.11Å; E138-R173 PolarHBondContact OE1-NH1 3.44Å; E138-R173 IonicContact OE1-NH2 2.68Å; E138-R173 PolarHBondContact OE1-NH2 3.24Å
139M88.1Confident84.3Confident90 Ų9057.1 Ų57.144%0.44331%0.306SS..Hα-helixtrans-58.7-37.8178.3-72.2-62.7-56.600112.2R135 H136 V137 T141 L142 S143R135-M139 WeakPolarHBondContact O-CG 3.29Å; R135-M139 PolarHBondContact O-N 2.89Å; R135-M139 VanDerWaalsContact O-N 3.07Å; H136-M139 VanDerWaalsContact O-CB 3.28Å; H136-M139 WeakPolarHBondContact O-CB 3.3Å; H136-M139 PolarHBondContact O-N 3.34Å; V137-M139 VanDerWaalsContact C-N 3.31Å; V137-M139 PolarHBondContact O-N 3.41Å; M139-T141 PolarHBondContact O-N 2.86Å; M139-L142 PolarHBondContact O-N 2.79Å; M139-L142 HydrophobicContact SD-CD1 4.12Å; M139-S143 PolarHBondContact O-N 3.39Å; M139-S143 PolarHBondContact O-OG 3.45Å; M139-S143 VanDerWaalsContact O-OG 3.05Å
140H88.4Confident83.2Confident33 Ų3362.3 Ų62.315%0.15333%0.329CS..Hα-helixtrans-56.7-38.5174.4-70.8-55.4000112.2W119 H136 V137 E138 L142 I144W119-H140 AromaticContact CD1-CE1 3.63Å; W119-H140 AromaticContact CD1-CG 3.95Å; W119-H140 AromaticContact CD1-ND1 3.59Å; W119-H140 HydrophobicContact CD2-CB 3.77Å; W119-H140 AromaticContact CD2-CD2 3.79Å; W119-H140 AromaticContact CD2-CG 3.59Å; W119-H140 AromaticContact CE2-CG 3.89Å; W119-H140 HydrophobicContact CE3-CB 3.82Å; W119-H140 AromaticContact CE3-CD2 3.99Å; W119-H140 AromaticContact CE3-CG 3.96Å; W119-H140 HydrophobicContact CG-CB 4.4Å; W119-H140 AromaticContact CG-CD2 3.66Å; W119-H140 AromaticContact CG-CE1 3.73Å; W119-H140 AromaticContact CG-CG 3.71Å; W119-H140 AromaticContact CG-ND1 3.79Å; W119-H140 AromaticContact CG-NE2 3.68Å; W119-H140 HydrophobicContact CH2-CB 4.03Å; W119-H140 HydrophobicContact CZ2-CB 3.96Å; W119-H140 HydrophobicContact CZ3-CB 3.93Å; W119-H140 AromaticContact NE1-ND1 3.79Å; H136-H140 AromaticContact CE1-CE1 3.98Å; H136-H140 AromaticContact CE1-NE2 3.35Å; H136-H140 PolarHBondContact CE1-NE2 3.18Å; H136-H140 AromaticContact NE2-CD2 3.81Å; H136-H140 AromaticContact NE2-NE2 3.12Å; H136-H140 PolarHBondContact NE2-NE2 2.94Å; H136-H140 VanDerWaalsContact NE2-NE2 3.12Å; V137-H140 PolarHBondContact O-N 3.46Å; E138-H140 VanDerWaalsContact C-N 3.27Å; E138-H140 PolarHBondContact O-N 2.75Å; H140-L142 VanDerWaalsContact C-N 3.32Å; H140-L142 PolarHBondContact O-N 3.14Å; H140-I144 WeakPolarHBondContact O-CD1 3.48Å; H140-I144 VanDerWaalsContact O-CG1 3.32Å; H140-I144 WeakPolarHBondContact O-CG1 3.34Å
141T86.8Confident81.9Confident0 Ų073.8 Ų73.80%037%0.373CS..Hα-helixtrans-71-26.7176.572.80000113.7E138 M139 R169 L172 R173 L176E138-T141 WeakPolarHBondContact O-CB 3.38Å; E138-T141 PolarHBondContact O-N 3.46Å; E138-T141 PolarHBondContact O-OG1 3.32Å; M139-T141 PolarHBondContact O-N 2.86Å; T141-R169 WeakPolarHBondContact O-CD 3.45Å; T141-L172 HydrophobicContact CG2-CD2 4.02Å; T141-L172 HydrophobicContact CG2-CG 4.03Å; T141-R173 HydrophobicContact CG2-CB 4.38Å; T141-L176 HydrophobicContact CG2-CD1 3.39Å; T141-L176 HydrophobicContact CG2-CG 4.42Å
142L85.4Confident81Confident71 Ų7178.8 Ų78.837%0.37240%0.396SS..Hα-helixtrans-84.5-33.7-178.5-66.1175.4000112E138 M139 H140 I144 R169E138-L142 HydrophobicContact CG-CD1 4.41Å; E138-L142 PolarHBondContact O-N 3.48Å; M139-L142 PolarHBondContact O-N 2.79Å; M139-L142 HydrophobicContact SD-CD1 4.12Å; H140-L142 VanDerWaalsContact C-N 3.32Å; H140-L142 PolarHBondContact O-N 3.14Å; L142-I144 PolarHBondContact O-N 3.2Å; L142-R169 PolarHBondContact O-NH2 3.17Å
143S85.8Confident80.5Confident85 Ų8577.8 Ų77.859%0.59439%0.394SS*.Hα-helixtrans-70.2-18.5178.2-59.20000113.5M139 E145M139-S143 PolarHBondContact O-N 3.39Å; M139-S143 PolarHBondContact O-OG 3.45Å; M139-S143 VanDerWaalsContact O-OG 3.05Å; S143-E145 PolarHBondContact O-N 3.3Å
144I84.8Confident80.1Confident38 Ų3881.2 Ų81.220%0.19542%0.417CS..SBendtrans-71115177.6-65.1163.4000109.6W119 H140 L142 I155 R169 L172W119-I144 HydrophobicContact CZ2-CD1 4.39Å; H140-I144 WeakPolarHBondContact O-CD1 3.48Å; H140-I144 VanDerWaalsContact O-CG1 3.32Å; H140-I144 WeakPolarHBondContact O-CG1 3.34Å; L142-I144 PolarHBondContact O-N 3.2Å; I144-I155 HydrophobicContact CD1-CG2 3.53Å; I144-I155 HydrophobicContact CG1-CG2 4.46Å; I144-I155 HydrophobicContact CG2-CD1 4.24Å; I144-I155 HydrophobicContact CG2-CG1 4.4Å; I144-I155 HydrophobicContact CG2-CG2 3.89Å; I144-R169 PolarHBondContact O-NE 3.29Å; I144-R169 PolarHBondContact O-NH2 3.17Å; I144-L172 HydrophobicContact CD1-CD2 3.51Å
145E79.1Confident80Confident173 Ų17380.4 Ų80.481%0.80841%0.414SS*.  trans-69129.9174.4-62.2-172171.200110.5S143S143-E145 PolarHBondContact O-N 3.3Å
146I77.2Confident80Confident50 Ų5081.5 Ų81.526%0.25642%0.418SS..  trans-118.3125.3177.6-61.1177.6000108T148 F153 I155 R169I146-T148 PolarHBondContact O-N 2.86Å; I146-F153 HydrophobicContact CG1-CD1 4.49Å; I146-F153 HydrophobicContact CG2-CB 3.85Å; I146-F153 HydrophobicContact CG2-CD1 4.45Å; I146-F153 HydrophobicContact CG2-CG 4.24Å; I146-I155 HydrophobicContact CD1-CD1 3.72Å; I146-I155 HydrophobicContact CG1-CD1 4.23Å; I146-R169 HydrophobicContact CD1-CG 3.34Å
147P76.1Confident80Confident66 Ų6680.3 Ų80.343%0.42941%0.413SS..  trans-54.7132.5174.1-25.334.5000111.6G149 F153P147-G149 PolarHBondContact O-N 2.63Å; P147-F153 HydrophobicContact CG-CD2 4.12Å; P147-F153 HydrophobicContact CG-CE2 3.91Å; P147-F153 HydrophobicContact CG-CZ 4.48Å
148T69.5Low80Confident155 Ų15580.3 Ų80.395%0.95141%0.414SS*.THydrogen-bonded Turntrans-69.3116.6-175.2-33.60000110.2I146I146-T148 PolarHBondContact O-N 2.86Å
149G65.3Low80.1Confident63 Ų6377.8 Ų77.865%0.64940%0.402SS*.THydrogen-bonded Turntrans120.7-15.7176.800000115.2P147P147-G149 PolarHBondContact O-N 2.63Å
150E62.2Low80.1Confident117 Ų11779.7 Ų79.755%0.54741%0.407SS..  trans-103.590.5179.2-65.9-171.2172.600111.5E152 F153E150-E152 PolarHBondContact O-N 2.72Å; E150-F153 HydrophobicContact CB-CB 4.37Å; E150-F153 PolarHBondContact O-N 3.1Å
151W59Low80Confident241 Ų24185.4 Ų85.491%0.91344%0.439SS*.THydrogen-bonded Turntrans-66.1-16.7178.7-63.886.1000113.6
152E67.8Low80.2Confident130 Ų13086.2 Ų86.261%0.60744%0.444SS*.THydrogen-bonded Turntrans-110.426.3177.9-63.9-156.2179.300113.4E150 P154 K167E150-E152 PolarHBondContact O-N 2.72Å; E152-P154 WeakPolarHBondContact O-CD 3.4Å; E152-P154 VanDerWaalsContact O-N 3.15Å; E152-K167 IonicContact OE2-NZ 2.87Å; E152-K167 PolarHBondContact OE2-NZ 2.98Å
153F77.7Confident80.4Confident59 Ų5990.8 Ų90.826%0.25946%0.464SS..  trans-56.8121.3176-171.2-100.1000110.6I146 P147 E150 I155 G168I146-F153 HydrophobicContact CG1-CD1 4.49Å; I146-F153 HydrophobicContact CG2-CB 3.85Å; I146-F153 HydrophobicContact CG2-CD1 4.45Å; I146-F153 HydrophobicContact CG2-CG 4.24Å; P147-F153 HydrophobicContact CG-CD2 4.12Å; P147-F153 HydrophobicContact CG-CE2 3.91Å; P147-F153 HydrophobicContact CG-CZ 4.48Å; E150-F153 HydrophobicContact CB-CB 4.37Å; E150-F153 PolarHBondContact O-N 3.1Å; F153-I155 HydrophobicContact CD1-CG1 3.93Å; F153-I155 HydrophobicContact CE1-CG1 4.5Å; F153-I155 PolarHBondContact O-N 3.09Å; F153-G168 PolarHBondContact O-N 2.89Å
154P83.7Confident80.6Confident79 Ų7988.3 Ų88.351%0.51345%0.449SS..EExtended strand (participates in β ladder)trans-74.6121.9-179.828.6-31.7000109.9E152 T165E152-P154 WeakPolarHBondContact O-CD 3.4Å; E152-P154 VanDerWaalsContact O-N 3.15Å; P154-T165 HydrophobicContact CB-CG2 3.63Å
155I86.6Confident80.9Confident7 Ų790.8 Ų90.84%0.03647%0.466CS..EExtended strand (participates in β ladder)trans-112.7121.7179.6-52.1172.8000108.8I144 I146 F153 T165 A166 R169 L172I144-I155 HydrophobicContact CD1-CG2 3.53Å; I144-I155 HydrophobicContact CG1-CG2 4.46Å; I144-I155 HydrophobicContact CG2-CD1 4.24Å; I144-I155 HydrophobicContact CG2-CG1 4.4Å; I144-I155 HydrophobicContact CG2-CG2 3.89Å; I146-I155 HydrophobicContact CD1-CD1 3.72Å; I146-I155 HydrophobicContact CG1-CD1 4.23Å; F153-I155 HydrophobicContact CD1-CG1 3.93Å; F153-I155 HydrophobicContact CE1-CG1 4.5Å; F153-I155 PolarHBondContact O-N 3.09Å; I155-T165 CarbonylContact O-C 3.58Å; I155-T165 WeakPolarHBondContact O-CA 3.33Å; I155-A166 PolarHBondContact N-O 3.38Å; I155-A166 PolarHBondContact O-N 3.19Å; I155-R169 HydrophobicContact CD1-CG 4.38Å; I155-L172 HydrophobicContact CB-CD2 4.37Å; I155-L172 HydrophobicContact CG2-CD2 3.64Å
156R87.8Confident81.3Confident152 Ų15283 Ų8357%0.57443%0.431SS*.EExtended strand (participates in β ladder)trans-75.4138.8174.6-165.3178.3-176.1-1450.3110.3
157C91.6Very high81.8Confident1 Ų186.9 Ų86.91%0.00745%0.446CS..  trans-71.8126.2170.1-175.60000109.4W159 C162 A164 L172 H175C157-W159 VanDerWaalsContact C-N 3.27Å; C157-W159 WeakPolarHBondContact SG-CB 3.03Å; C157-W159 PolarHBondContact SG-N 3.43Å; C157-C162 HydrophobicContact CB-CB 4.36Å; C157-C162 VanDerWaalsContact SG-SG 3.7Å; C157-A164 HydrophobicContact CB-CB 4.44Å; C157-A164 WeakPolarHBondContact CB-O 3.05Å; C157-A164 PolarHBondContact N-O 3.43Å; C157-L172 HydrophobicContact CB-CD1 4.14Å; C157-H175 PolarHBondContact SG-NE2 3.3Å; C157-H175 VanDerWaalsContact SG-NE2 3.44Å
158G87.6Confident82.2Confident6 Ų684 Ų846%0.06243%0.429CS..  trans-90.721.4174.100000113W119 E120W119-G158 CarbonylContact C-O 3.29Å; W119-G158 WeakPolarHBondContact CA-O 3.17Å; E120-G158 WeakPolarHBondContact CG-O 3.38Å; E120-G158 PolarHBondContact N-O 2.84Å
159W91Very high83Confident18 Ų1881 Ų817%0.06840%0.4CS..BIsolated β-bridgetrans-80.1141.3177.1-156.8-86.9000109.8L118 W119 F133 V137 C157 D161 C162 H179 T180L118-W159 HydrophobicContact CB-CZ2 4.08Å; W119-W159 AromaticContact CE3-CE3 3.98Å; W119-W159 HydrophobicContact CE3-CE3 3.98Å; F133-W159 HydrophobicContact CZ-CH2 4.3Å; V137-W159 HydrophobicContact CG1-CZ3 4Å; V137-W159 HydrophobicContact CG2-CH2 4.18Å; V137-W159 HydrophobicContact CG2-CZ3 4.04Å; C157-W159 VanDerWaalsContact C-N 3.27Å; C157-W159 WeakPolarHBondContact SG-CB 3.03Å; C157-W159 PolarHBondContact SG-N 3.43Å; W159-D161 PolarHBondContact O-N 3.24Å; W159-C162 HydrophobicContact CB-CB 3.96Å; W159-C162 WeakPolarHBondContact O-CB 3.22Å; W159-C162 PolarHBondContact O-N 3.41Å; W159-H179 AromaticContact CD1-CD2 3.88Å; W159-H179 AromaticContact CD1-CE1 3.84Å; W159-H179 AromaticContact CD1-CG 3.53Å; W159-H179 AromaticContact CD1-ND1 3.55Å; W159-H179 HydrophobicContact CD2-CB 3.78Å; W159-H179 AromaticContact CD2-CD2 3.95Å; W159-H179 AromaticContact CD2-CG 3.86Å; W159-H179 AromaticContact CE2-CG 3.96Å; W159-H179 HydrophobicContact CE3-CB 4.37Å; W159-H179 HydrophobicContact CG-CB 4.07Å; W159-H179 AromaticContact CG-CD2 3.55Å; W159-H179 AromaticContact CG-CG 3.61Å; W159-H179 AromaticContact CG-NE2 3.89Å; W159-H179 HydrophobicContact CZ2-CB 3.93Å; W159-H179 AromaticContact NE1-CG 3.72Å; W159-H179 AromaticContact NE1-ND1 3.9Å; W159-T180 HydrophobicContact CH2-CG2 3.81Å; W159-T180 HydrophobicContact CZ2-CG2 4.48Å; W159-T180 HydrophobicContact CZ3-CG2 4.22Å
160K89.4Confident84Confident129 Ų12982.7 Ų82.756%0.56140%0.4SS*.THydrogen-bonded Turntrans-50.8130.8178.9-171.4-176.4173.9-179.10111.3L118 C162L118-K160 HydrophobicContact CB-CB 4.07Å; L118-K160 PolarHBondContact O-N 3.23Å; K160-C162 PolarHBondContact O-N 3.48Å
161D86.8Confident85.2Confident154 Ų15482.7 Ų82.782%0.82440%0.398SS*.THydrogen-bonded Turntrans60.425-180-51.4-44.7000114.4W159W159-D161 PolarHBondContact O-N 3.24Å
162C90.8Very high86.6Confident16 Ų1671.2 Ų71.211%0.10836%0.355CS..  trans-111.8121.1176.7-1690000112.5C157 W159 K160 A164 H175 H179C157-C162 HydrophobicContact CB-CB 4.36Å; C157-C162 VanDerWaalsContact SG-SG 3.7Å; W159-C162 HydrophobicContact CB-CB 3.96Å; W159-C162 WeakPolarHBondContact O-CB 3.22Å; W159-C162 PolarHBondContact O-N 3.41Å; K160-C162 PolarHBondContact O-N 3.48Å; C162-A164 VanDerWaalsContact SG-CB 3.59Å; C162-H175 PolarHBondContact SG-NE2 3.48Å; C162-H179 PolarHBondContact SG-NE2 2.96Å
163E89.8Confident87.5Confident167 Ų16768.9 Ų68.978%0.7834%0.34SS*.  trans-101.18.1176.4-63.5-179.3174.800113.2
164A89.5Confident88Confident33 Ų3371.1 Ų71.127%0.27335%0.351SS..  trans-67.8141.1-175.300000112.1C157 C162 H175C157-A164 HydrophobicContact CB-CB 4.44Å; C157-A164 WeakPolarHBondContact CB-O 3.05Å; C157-A164 PolarHBondContact N-O 3.43Å; C162-A164 VanDerWaalsContact SG-CB 3.59Å; A164-H175 WeakPolarHBondContact CB-CE1 3.43Å
165T90.3Very high88.2Confident90 Ų9069.6 Ų69.655%0.55234%0.337SS*.EExtended strand (participates in β ladder)trans-120.1131.9173.4-58.60000109.2P154 I155P154-T165 HydrophobicContact CB-CG2 3.63Å; I155-T165 CarbonylContact O-C 3.58Å; I155-T165 WeakPolarHBondContact O-CA 3.33Å
166A88.6Confident88.3Confident10 Ų1069.5 Ų69.58%0.08334%0.337CS..EExtended strand (participates in β ladder)trans-115.9142.5-17800000111.3I155 G168 K171 L172I155-A166 PolarHBondContact N-O 3.38Å; I155-A166 PolarHBondContact O-N 3.19Å; A166-G168 PolarHBondContact O-N 3.25Å; A166-K171 HydrophobicContact CB-CB 4.04Å; A166-L172 HydrophobicContact CB-CB 3.88Å; A166-L172 HydrophobicContact CB-CD1 4.37Å
167K86.6Confident88.4Confident131 Ų13165.9 Ų65.957%0.5732%0.323SS*.EExtended strand (participates in β ladder)trans-82.991.9175.2-63.2-174.9171.6-157.60109.9E152E152-K167 IonicContact OE2-NZ 2.87Å; E152-K167 PolarHBondContact OE2-NZ 2.98Å
168G85.1Confident88.3Confident7 Ų768.8 Ų68.87%0.07234%0.344CS..SBendtrans82.2168.2178.200000116.5F153 A166 K171 L172F153-G168 PolarHBondContact O-N 2.89Å; A166-G168 PolarHBondContact O-N 3.25Å; G168-K171 PolarHBondContact O-N 3.43Å; G168-L172 PolarHBondContact O-N 3.15Å; G168-L172 VanDerWaalsContact O-N 3.15Å
169R85.4Confident88.3Confident90 Ų9071.3 Ų71.334%0.3435%0.354SS..Hα-helixtrans-57-44.2-173.9-54.1-171.7171.5156.4-9.2114.9T141 L142 I144 I146 I155 K171 L172 R173T141-R169 WeakPolarHBondContact O-CD 3.45Å; L142-R169 PolarHBondContact O-NH2 3.17Å; I144-R169 PolarHBondContact O-NE 3.29Å; I144-R169 PolarHBondContact O-NH2 3.17Å; I146-R169 HydrophobicContact CD1-CG 3.34Å; I155-R169 HydrophobicContact CD1-CG 4.38Å; R169-K171 VanDerWaalsContact C-N 3.27Å; R169-K171 PolarHBondContact O-N 2.79Å; R169-L172 PolarHBondContact O-N 3.19Å; R169-R173 WeakPolarHBondContact O-CB 3.47Å; R169-R173 PolarHBondContact O-N 2.94Å
170P85.9Confident88.1Confident100 Ų10071.3 Ų71.365%0.64936%0.356SS*.Hα-helixtrans-63.2-35.4-177.2-22.634.3000112.6E174P170-E174 PolarHBondContact O-N 3.35Å
171K87.5Confident88Confident116 Ų11670.8 Ų70.850%0.50436%0.355SS..Hα-helixtrans-76-37.8179.1-71.2-68.5171.8-166.80112.4A166 G168 R169 E174 H175A166-K171 HydrophobicContact CB-CB 4.04Å; G168-K171 PolarHBondContact O-N 3.43Å; R169-K171 VanDerWaalsContact C-N 3.27Å; R169-K171 PolarHBondContact O-N 2.79Å; K171-E174 IonicContact NZ-OE2 2.71Å; K171-E174 PolarHBondContact NZ-OE2 3.27Å; K171-E174 PolarHBondContact O-N 2.93Å; K171-H175 WeakPolarHBondContact O-CB 3.37Å; K171-H175 PolarHBondContact O-N 3.22Å
172L88.5Confident88.1Confident1 Ų165.4 Ų65.41%0.00533%0.325CS..Hα-helixtrans-61.6-46.8171.8-179.362000110.6W119 T141 I144 I155 C157 A166 G168 R169 E174 H175 L176W119-L172 HydrophobicContact CH2-CD2 4.33Å; T141-L172 HydrophobicContact CG2-CD2 4.02Å; T141-L172 HydrophobicContact CG2-CG 4.03Å; I144-L172 HydrophobicContact CD1-CD2 3.51Å; I155-L172 HydrophobicContact CB-CD2 4.37Å; I155-L172 HydrophobicContact CG2-CD2 3.64Å; C157-L172 HydrophobicContact CB-CD1 4.14Å; A166-L172 HydrophobicContact CB-CB 3.88Å; A166-L172 HydrophobicContact CB-CD1 4.37Å; G168-L172 PolarHBondContact O-N 3.15Å; G168-L172 VanDerWaalsContact O-N 3.15Å; R169-L172 PolarHBondContact O-N 3.19Å; L172-E174 VanDerWaalsContact C-N 3.32Å; L172-E174 PolarHBondContact O-N 3Å; L172-H175 CarbonylContact O-C 3.6Å; L172-H175 WeakPolarHBondContact O-CA 3.34Å; L172-H175 WeakPolarHBondContact O-CB 3.43Å; L172-H175 PolarHBondContact O-N 2.84Å; L172-L176 HydrophobicContact CD1-CD2 4.22Å; L172-L176 HydrophobicContact CD1-CG 4.48Å; L172-L176 HydrophobicContact CG-CG 4.46Å; L172-L176 WeakPolarHBondContact O-CG 3.19Å; L172-L176 PolarHBondContact O-N 3.26Å
173R87.2Confident88.1Confident81 Ų8167.5 Ų67.531%0.30633%0.333SS..Hα-helixtrans-57-44.2176.4-176.4-169.8-56.4-148-13112.8E138 T141 R169 H175 L176E138-R173 IonicContact OE1-CZ 2.75Å; E138-R173 IonicContact OE1-NE 3.37Å; E138-R173 IonicContact OE1-NH1 3.11Å; E138-R173 PolarHBondContact OE1-NH1 3.44Å; E138-R173 IonicContact OE1-NH2 2.68Å; E138-R173 PolarHBondContact OE1-NH2 3.24Å; T141-R173 HydrophobicContact CG2-CB 4.38Å; R169-R173 WeakPolarHBondContact O-CB 3.47Å; R169-R173 PolarHBondContact O-N 2.94Å; R173-H175 VanDerWaalsContact C-N 3.31Å; R173-L176 PolarHBondContact O-N 2.94Å
174E87.4Confident88.1Confident106 Ų10661 Ų6150%0.49530%0.304SS..Hα-helixtrans-60.9-42.3175-175.8177.2-167.400111.2P170 K171 L172 R177P170-E174 PolarHBondContact O-N 3.35Å; K171-E174 IonicContact NZ-OE2 2.71Å; K171-E174 PolarHBondContact NZ-OE2 3.27Å; K171-E174 PolarHBondContact O-N 2.93Å; L172-E174 VanDerWaalsContact C-N 3.32Å; L172-E174 PolarHBondContact O-N 3Å; E174-R177 WeakPolarHBondContact O-CB 3.48Å; E174-R177 PolarHBondContact O-N 3.32Å
175H89.1Confident88.2Confident47 Ų4759.4 Ų59.422%0.21829%0.291CS..Hα-helixtrans-63.3-42176.3169.968.8000112.8C157 C162 A164 K171 L172 R173 R177 S178 H179C157-H175 PolarHBondContact SG-NE2 3.3Å; C157-H175 VanDerWaalsContact SG-NE2 3.44Å; C162-H175 PolarHBondContact SG-NE2 3.48Å; A164-H175 WeakPolarHBondContact CB-CE1 3.43Å; K171-H175 WeakPolarHBondContact O-CB 3.37Å; K171-H175 PolarHBondContact O-N 3.22Å; L172-H175 CarbonylContact O-C 3.6Å; L172-H175 WeakPolarHBondContact O-CA 3.34Å; L172-H175 WeakPolarHBondContact O-CB 3.43Å; L172-H175 PolarHBondContact O-N 2.84Å; R173-H175 VanDerWaalsContact C-N 3.31Å; H175-R177 PolarHBondContact O-N 2.89Å; H175-S178 WeakPolarHBondContact O-CB 3.41Å; H175-S178 PolarHBondContact O-N 3.33Å; H175-S178 PolarHBondContact O-OG 3.43Å; H175-H179 AromaticContact CE1-NE2 3.75Å; H175-H179 AromaticContact NE2-CD2 3.87Å; H175-H179 AromaticContact NE2-NE2 3.3Å; H175-H179 PolarHBondContact NE2-NE2 2.69Å
176L89.3Confident88.3Confident5 Ų555.1 Ų55.13%0.02627%0.265CS..Hα-helixtrans-59.6-22.1-178.6-62-176000113.9W119 V137 T141 L172 R173 S178 H179 T180W119-L176 HydrophobicContact CE3-CD1 4.5Å; W119-L176 HydrophobicContact CE3-CD2 4.4Å; W119-L176 HydrophobicContact CH2-CD1 4.48Å; W119-L176 HydrophobicContact CH2-CD2 4.42Å; W119-L176 HydrophobicContact CZ3-CD1 3.69Å; W119-L176 HydrophobicContact CZ3-CD2 3.57Å; W119-L176 HydrophobicContact CZ3-CG 4.26Å; V137-L176 HydrophobicContact CG1-CB 4.09Å; V137-L176 HydrophobicContact CG1-CD1 3.68Å; V137-L176 HydrophobicContact CG1-CG 4.45Å; T141-L176 HydrophobicContact CG2-CD1 3.39Å; T141-L176 HydrophobicContact CG2-CG 4.42Å; L172-L176 HydrophobicContact CD1-CD2 4.22Å; L172-L176 HydrophobicContact CD1-CG 4.48Å; L172-L176 HydrophobicContact CG-CG 4.46Å; L172-L176 WeakPolarHBondContact O-CG 3.19Å; L172-L176 PolarHBondContact O-N 3.26Å; R173-L176 PolarHBondContact O-N 2.94Å; L176-S178 PolarHBondContact O-N 2.92Å; L176-H179 PolarHBondContact O-N 3.46Å; L176-T180 PolarHBondContact O-N 3.41Å; L176-T180 PolarHBondContact O-OG1 3.1Å
177R89.3Confident88.4Confident75 Ų7554.7 Ų54.728%0.28326%0.261SS..Hα-helixtrans-65.4-20.1172.9-58.1-174.3178.31475.3113.7E174 H175 H179 Q181 E182 V184E174-R177 WeakPolarHBondContact O-CB 3.48Å; E174-R177 PolarHBondContact O-N 3.32Å; H175-R177 PolarHBondContact O-N 2.89Å; R177-H179 VanDerWaalsContact C-N 3.26Å; R177-Q181 VanDerWaalsContact O-CA 3.25Å; R177-Q181 WeakPolarHBondContact O-CA 3.44Å; R177-Q181 PolarHBondContact O-N 2.76Å; R177-E182 HydrophobicContact CG-CB 4.2Å; R177-E182 IonicContact NE-OE2 3.96Å; R177-E182 PolarHBondContact NE-OE2 3.11Å; R177-E182 VanDerWaalsContact NE-OE2 3.09Å; R177-V184 VanDerWaalsContact CZ-CG1 3.41Å
178S88.6Confident88.5Confident63 Ų6349.4 Ų49.444%0.44124%0.24SC..Hα-helixtrans-70.7-26.3172.368.20000112.4H175 L176 Q181H175-S178 WeakPolarHBondContact O-CB 3.41Å; H175-S178 PolarHBondContact O-N 3.33Å; H175-S178 PolarHBondContact O-OG 3.43Å; L176-S178 PolarHBondContact O-N 2.92Å; S178-Q181 PolarHBondContact O-NE2 2.89Å
179H88.2Confident88.5Confident59 Ų5949.4 Ų49.427%0.27324%0.24SC..Hα-helixtrans-87.1-47.3176.2-62.8-55.4000111.4W159 C162 H175 L176 R177W159-H179 AromaticContact CD1-CD2 3.88Å; W159-H179 AromaticContact CD1-CE1 3.84Å; W159-H179 AromaticContact CD1-CG 3.53Å; W159-H179 AromaticContact CD1-ND1 3.55Å; W159-H179 HydrophobicContact CD2-CB 3.78Å; W159-H179 AromaticContact CD2-CD2 3.95Å; W159-H179 AromaticContact CD2-CG 3.86Å; W159-H179 AromaticContact CE2-CG 3.96Å; W159-H179 HydrophobicContact CE3-CB 4.37Å; W159-H179 HydrophobicContact CG-CB 4.07Å; W159-H179 AromaticContact CG-CD2 3.55Å; W159-H179 AromaticContact CG-CG 3.61Å; W159-H179 AromaticContact CG-NE2 3.89Å; W159-H179 HydrophobicContact CZ2-CB 3.93Å; W159-H179 AromaticContact NE1-CG 3.72Å; W159-H179 AromaticContact NE1-ND1 3.9Å; C162-H179 PolarHBondContact SG-NE2 2.96Å; H175-H179 AromaticContact CE1-NE2 3.75Å; H175-H179 AromaticContact NE2-CD2 3.87Å; H175-H179 AromaticContact NE2-NE2 3.3Å; H175-H179 PolarHBondContact NE2-NE2 2.69Å; L176-H179 PolarHBondContact O-N 3.46Å; R177-H179 VanDerWaalsContact C-N 3.26Å
180T86.3Confident88.6Confident17 Ų1745.8 Ų45.810%0.10423%0.228CC..Hα-helixtrans-84.4-13.2-174.664.30000114.2F133 V137 W159 L176 E182F133-T180 HydrophobicContact CE1-CG2 3.89Å; F133-T180 HydrophobicContact CZ-CG2 4.02Å; V137-T180 HydrophobicContact CB-CG2 4.39Å; V137-T180 HydrophobicContact CG1-CG2 3.95Å; V137-T180 HydrophobicContact CG2-CG2 4.01Å; W159-T180 HydrophobicContact CH2-CG2 3.81Å; W159-T180 HydrophobicContact CZ2-CG2 4.48Å; W159-T180 HydrophobicContact CZ3-CG2 4.22Å; L176-T180 PolarHBondContact O-N 3.41Å; L176-T180 PolarHBondContact O-OG1 3.1Å; T180-E182 PolarHBondContact O-N 3.02Å; T180-E182 VanDerWaalsContact O-N 3.08Å; T180-E182 PolarHBondContact OG1-N 3.01Å
181Q87.5Confident88.6Confident118 Ų11841.3 Ų41.355%0.55120%0.2SC*.  trans56.719.3-174.8-60.9-62.1-37.500114.8R177 S178 K183R177-Q181 VanDerWaalsContact O-CA 3.25Å; R177-Q181 WeakPolarHBondContact O-CA 3.44Å; R177-Q181 PolarHBondContact O-N 2.76Å; S178-Q181 PolarHBondContact O-NE2 2.89Å; Q181-K183 PolarHBondContact O-N 3.31Å; Q181-K183 PolarHBondContact O-NZ 2.82Å
182E88.8Confident88.7Confident42 Ų4236.8 Ų36.820%0.19619%0.187CC..  trans-48.7134.7-177.7-173.1-168.8-161.800112.3Y134 R177 T180Y134-E182 HydrophobicContact CD1-CB 3.75Å; Y134-E182 HydrophobicContact CD1-CG 3.68Å; Y134-E182 HydrophobicContact CD2-CG 4.15Å; Y134-E182 HydrophobicContact CE1-CB 3.56Å; Y134-E182 HydrophobicContact CE1-CG 3.82Å; Y134-E182 HydrophobicContact CE2-CG 4.3Å; Y134-E182 HydrophobicContact CG-CB 4.45Å; Y134-E182 HydrophobicContact CG-CG 3.86Å; R177-E182 HydrophobicContact CG-CB 4.2Å; R177-E182 IonicContact NE-OE2 3.96Å; R177-E182 PolarHBondContact NE-OE2 3.11Å; R177-E182 VanDerWaalsContact NE-OE2 3.09Å; T180-E182 PolarHBondContact O-N 3.02Å; T180-E182 VanDerWaalsContact O-N 3.08Å; T180-E182 PolarHBondContact OG1-N 3.01Å
183K90.4Very high88.8Confident60 Ų6038.7 Ų38.726%0.26120%0.196SC..  trans-105.3133.8170.8-54.7-59.5178.9-117.10109Y77 L81 Q181 M193 A195Y77-K183 PolarHBondContact OH-O 2.91Å; L81-K183 HydrophobicContact CD1-CB 4.04Å; L81-K183 WeakPolarHBondContact CD1-O 3.14Å; L81-K183 WeakPolarHBondContact CD2-O 3.38Å; Q181-K183 PolarHBondContact O-N 3.31Å; Q181-K183 PolarHBondContact O-NZ 2.82Å; K183-M193 HydrophobicContact CB-CB 3.83Å; K183-M193 HydrophobicContact CG-CB 3.8Å; K183-A195 HydrophobicContact CD-CB 4.48Å
184V90.5Very high89Confident29 Ų2936.8 Ų36.818%0.17619%0.189CC..  trans-104.5-12.8-169.9-57.30000113.8R177 Y194 A195R177-V184 VanDerWaalsContact CZ-CG1 3.41Å; V184-Y194 PolarHBondContact N-O 3.49Å; V184-A195 WeakPolarHBondContact CG2-O 3.33Å
185V92.5Very high89.1Confident1 Ų133.9 Ų33.91%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-154.3145.5-176.966.40000109.6Y194 F200V185-Y194 PolarHBondContact N-O 3.27Å; V185-Y194 PolarHBondContact O-N 3Å; V185-F200 HydrophobicContact CG1-CB 3.59Å; V185-F200 HydrophobicContact CG1-CD1 4.39Å; V185-F200 HydrophobicContact CG1-CG 4.02Å; V185-F200 HydrophobicContact CG2-CD1 3.89Å; V185-F200 HydrophobicContact CG2-CE1 4.22Å; V185-F200 HydrophobicContact CG2-CG 4.1Å
186A91.7Very high89Confident0 Ų034.6 Ų34.60%019%0.189CC..EExtended strand (participates in β ladder)trans-128.9151.2174.700000111.3L81 K82 G85 P188 G192 M193L81-A186 HydrophobicContact CB-CB 3.59Å; L81-A186 PolarHBondContact O-N 2.78Å; K82-A186 HydrophobicContact CG-CB 4.09Å; G85-A186 WeakPolarHBondContact CA-O 3.39Å; A186-P188 WeakPolarHBondContact O-CD 3.38Å; A186-G192 CarbonylContact C-O 3.1Å; A186-G192 WeakPolarHBondContact CA-O 3.3Å; A186-M193 HydrophobicContact CB-CG 3.99Å
187C90.9Very high88.9Confident0 Ų038.1 Ų38.10%021%0.208CC..  trans-72123.7176.1-179.50000110.4C98 G189 G191 G192 Y194 F200 H203C98-C187 WeakPolarHBondContact CB-SG 3.21Å; C187-G189 PolarHBondContact O-N 3.12Å; C187-G189 PolarHBondContact SG-N 3.15Å; C187-G189 VanDerWaalsContact SG-N 3.45Å; C187-G191 VanDerWaalsContact O-CA 3.3Å; C187-G191 WeakPolarHBondContact O-CA 3.41Å; C187-G191 PolarHBondContact O-N 3.19Å; C187-G192 PolarHBondContact N-O 2.87Å; C187-Y194 HydrophobicContact CB-CE2 4.17Å; C187-F200 HydrophobicContact CB-CD2 4.45Å; C187-F200 HydrophobicContact CB-CE2 3.89Å; C187-H203 PolarHBondContact SG-NE2 2.66Å
188P87.6Confident88.8Confident20 Ų2037.9 Ų37.913%0.1321%0.214CC..THydrogen-bonded Turntrans-67.4-22.9178.326.5-33.9000112.9Q86 L89 R105 A186Q86-P188 HydrophobicContact CB-CB 4.33Å; Q86-P188 HydrophobicContact CB-CG 4.27Å; Q86-P188 VanDerWaalsContact OE1-CG 3.31Å; L89-P188 HydrophobicContact CD1-CG 3.9Å; R105-P188 VanDerWaalsContact CD-O 3.26Å; R105-P188 WeakPolarHBondContact CD-O 2.98Å; R105-P188 PolarHBondContact NE-O 3.3Å; A186-P188 WeakPolarHBondContact O-CD 3.38Å
189G85.2Confident88.8Confident7 Ų739.6 Ų39.67%0.07221%0.214CC..THydrogen-bonded Turntrans-80.5-60.6177.400000112.9R105 C187R105-G189 WeakPolarHBondContact CB-O 3.16Å; R105-G189 WeakPolarHBondContact CD-O 3.46Å; R105-G189 WeakPolarHBondContact CG-O 3.1Å; C187-G189 PolarHBondContact O-N 3.12Å; C187-G189 PolarHBondContact SG-N 3.15Å; C187-G189 VanDerWaalsContact SG-N 3.45Å
190C87.7Confident88.9Confident15 Ų1536.8 Ų36.810%0.10120%0.201CC..THydrogen-bonded Turntrans-100.8-1.2-171.682.60000115.1I100 G192 H203I100-C190 HydrophobicContact CB-CB 3.73Å; I100-C190 HydrophobicContact CG2-CB 3.64Å; C190-G192 PolarHBondContact O-N 3.44Å; C190-G192 VanDerWaalsContact O-N 3.15Å; C190-G192 PolarHBondContact SG-N 2.94Å; C190-G192 VanDerWaalsContact SG-N 3.43Å; C190-H203 PolarHBondContact SG-CE1 3.28Å; C190-H203 PolarHBondContact SG-NE2 2.7Å; C190-H203 VanDerWaalsContact SG-NE2 3.43Å
191G86.8Confident89Confident5 Ų538 Ų385%0.05221%0.205CC..  trans75.5-5.3-179.300000116H78 R105 C187 M193H78-G191 PolarHBondContact NE2-O 3.02Å; R105-G191 WeakPolarHBondContact O-CA 3.21Å; C187-G191 VanDerWaalsContact O-CA 3.3Å; C187-G191 WeakPolarHBondContact O-CA 3.41Å; C187-G191 PolarHBondContact O-N 3.19Å; G191-M193 PolarHBondContact O-N 3.41Å
192G89.2Confident88.8Confident22 Ų2232.7 Ų32.723%0.22718%0.18CC..  trans-60.1131.2-177.100000112.2A186 C187 C190 Y194A186-G192 CarbonylContact C-O 3.1Å; A186-G192 WeakPolarHBondContact CA-O 3.3Å; C187-G192 PolarHBondContact N-O 2.87Å; C190-G192 PolarHBondContact O-N 3.44Å; C190-G192 VanDerWaalsContact O-N 3.15Å; C190-G192 PolarHBondContact SG-N 2.94Å; C190-G192 VanDerWaalsContact SG-N 3.43Å; G192-Y194 WeakPolarHBondContact O-CD2 3.16Å; G192-Y194 WeakPolarHBondContact O-CE2 3.06Å
193M91.4Very high88.7Confident41 Ų4131.7 Ų31.720%0.20218%0.175CC..EExtended strand (participates in β ladder)trans-100.4142-178.3-61.2-176.2-76.200112.4F74 L81 P109 K183 A186 G191F74-M193 HydrophobicContact CE1-CE 3.84Å; F74-M193 HydrophobicContact CE1-SD 3.84Å; F74-M193 HydrophobicContact CZ-CE 3.82Å; F74-M193 HydrophobicContact CZ-SD 3.83Å; L81-M193 HydrophobicContact CD1-CG 4.36Å; L81-M193 HydrophobicContact CD1-SD 4.11Å; P109-M193 HydrophobicContact CG-CE 3.62Å; K183-M193 HydrophobicContact CB-CB 3.83Å; K183-M193 HydrophobicContact CG-CB 3.8Å; A186-M193 HydrophobicContact CB-CG 3.99Å; G191-M193 PolarHBondContact O-N 3.41Å
194Y91.4Very high88.5Confident41 Ų4128.8 Ų28.816%0.16116%0.163CC..EExtended strand (participates in β ladder)trans-131.4145.5-174-54-81.8000112.6V184 V185 C187 G192 N196 K199 F200 H203V184-Y194 PolarHBondContact N-O 3.49Å; V185-Y194 PolarHBondContact N-O 3.27Å; V185-Y194 PolarHBondContact O-N 3Å; C187-Y194 HydrophobicContact CB-CE2 4.17Å; G192-Y194 WeakPolarHBondContact O-CD2 3.16Å; G192-Y194 WeakPolarHBondContact O-CE2 3.06Å; Y194-N196 VanDerWaalsContact C-N 3.31Å; Y194-N196 PolarHBondContact O-N 3.48Å; Y194-K199 HydrophobicContact CD1-CB 4.14Å; Y194-F200 HydrophobicContact CD2-CB 3.7Å; Y194-F200 AromaticContact CD2-CD2 3.63Å; Y194-F200 HydrophobicContact CD2-CD2 3.63Å; Y194-F200 HydrophobicContact CD2-CG 4.1Å; Y194-F200 HydrophobicContact CE2-CB 4.42Å; Y194-F200 AromaticContact CE2-CD2 3.67Å; Y194-F200 HydrophobicContact CE2-CD2 3.67Å; Y194-F200 HydrophobicContact CG-CB 3.92Å; Y194-H203 HydrophobicContact CE1-CB 3.76Å; Y194-H203 HydrophobicContact CE2-CB 4.33Å; Y194-H203 AromaticContact CZ-CD2 3.85Å; Y194-H203 AromaticContact CZ-CG 3.54Å; Y194-H203 AromaticContact CZ-ND1 3.94Å; Y194-H203 WeakPolarHBondContact OH-CB 3.28Å; Y194-H203 PolarHBondContact OH-CD2 2.82Å; Y194-H203 VanDerWaalsContact OH-CD2 3.25Å; Y194-H203 PolarHBondContact OH-CE1 2.9Å; Y194-H203 PolarHBondContact OH-ND1 3.26Å; Y194-H203 PolarHBondContact OH-NE2 3.21Å
195A88.2Confident88.1Confident45 Ų4529.2 Ų29.237%0.37216%0.164SC..SBendtrans-74.6-18.1179.800000113.7K183 V184K183-A195 HydrophobicContact CD-CB 4.48Å; V184-A195 WeakPolarHBondContact CG2-O 3.33Å
196N87.8Confident87.4Confident62 Ų6236.6 Ų36.633%0.33219%0.191SC..SBendtrans-156.4164.6175.162.444.8000111.8Y194 T198 K199 F200Y194-N196 VanDerWaalsContact C-N 3.31Å; Y194-N196 PolarHBondContact O-N 3.48Å; N196-T198 VanDerWaalsContact C-N 3.27Å; N196-T198 PolarHBondContact O-N 2.69Å; N196-T198 WeakPolarHBondContact OD1-CB 3.34Å; N196-T198 PolarHBondContact OD1-N 3.15Å; N196-K199 PolarHBondContact O-N 3.35Å; N196-K199 VanDerWaalsContact OD1-CG 3.3Å; N196-K199 WeakPolarHBondContact OD1-CG 3.41Å; N196-K199 PolarHBondContact OD1-N 3.04Å; N196-F200 PolarHBondContact O-N 3.42Å
197N87.9Confident86.6Confident79 Ų7939.6 Ų39.642%0.42221%0.205SC..Hα-helixtrans-62.2-33.1179-72.7-11.4000112.6K199 F200 F201N197-K199 PolarHBondContact O-N 3.03Å; N197-F200 WeakPolarHBondContact O-CB 3.47Å; N197-F200 PolarHBondContact O-N 3.47Å; N197-F201 HydrophobicContact CB-CD2 4.28Å; N197-F201 HydrophobicContact CB-CE2 3.93Å; N197-F201 WeakPolarHBondContact O-CD2 3.41Å; N197-F201 WeakPolarHBondContact O-CG 3.39Å; N197-F201 PolarHBondContact O-N 3.46Å
198T87.3Confident85.6Confident69 Ų6942.7 Ų42.742%0.42322%0.222SC..Hα-helixtrans-61.5-43.8179.2-52.20000112.1N196 D202N196-T198 VanDerWaalsContact C-N 3.27Å; N196-T198 PolarHBondContact O-N 2.69Å; N196-T198 WeakPolarHBondContact OD1-CB 3.34Å; N196-T198 PolarHBondContact OD1-N 3.15Å; T198-D202 PolarHBondContact O-N 2.72Å
199K87.8Confident84.2Confident99 Ų9944.6 Ų44.643%0.4324%0.24SC..Hα-helixtrans-70.3-33.8176.3-65.7-56.8179.6-173.70112.1Y194 N196 N197 H203Y194-K199 HydrophobicContact CD1-CB 4.14Å; N196-K199 PolarHBondContact O-N 3.35Å; N196-K199 VanDerWaalsContact OD1-CG 3.3Å; N196-K199 WeakPolarHBondContact OD1-CG 3.41Å; N196-K199 PolarHBondContact OD1-N 3.04Å; N197-K199 PolarHBondContact O-N 3.03Å; K199-H203 PolarHBondContact O-N 3.11Å; K199-H203 VanDerWaalsContact O-N 3.09Å
200F90.1Very high82.7Confident0 Ų052.3 Ų52.30%028%0.276CS..Hα-helixtrans-64.6-49.3173.1170.4-122.1000112A88 L89 V185 C187 Y194 N196 N197 D202 H203 I204A88-F200 HydrophobicContact CB-CE1 4.12Å; L89-F200 HydrophobicContact CD1-CZ 3.94Å; L89-F200 HydrophobicContact CD2-CE1 4.23Å; L89-F200 HydrophobicContact CD2-CZ 4.11Å; L89-F200 HydrophobicContact CG-CE1 4.02Å; L89-F200 HydrophobicContact CG-CZ 3.77Å; V185-F200 HydrophobicContact CG1-CB 3.59Å; V185-F200 HydrophobicContact CG1-CD1 4.39Å; V185-F200 HydrophobicContact CG1-CG 4.02Å; V185-F200 HydrophobicContact CG2-CD1 3.89Å; V185-F200 HydrophobicContact CG2-CE1 4.22Å; V185-F200 HydrophobicContact CG2-CG 4.1Å; C187-F200 HydrophobicContact CB-CD2 4.45Å; C187-F200 HydrophobicContact CB-CE2 3.89Å; Y194-F200 HydrophobicContact CD2-CB 3.7Å; Y194-F200 AromaticContact CD2-CD2 3.63Å; Y194-F200 HydrophobicContact CD2-CD2 3.63Å; Y194-F200 HydrophobicContact CD2-CG 4.1Å; Y194-F200 HydrophobicContact CE2-CB 4.42Å; Y194-F200 AromaticContact CE2-CD2 3.67Å; Y194-F200 HydrophobicContact CE2-CD2 3.67Å; Y194-F200 HydrophobicContact CG-CB 3.92Å; N196-F200 PolarHBondContact O-N 3.42Å; N197-F200 WeakPolarHBondContact O-CB 3.47Å; N197-F200 PolarHBondContact O-N 3.47Å; F200-D202 VanDerWaalsContact C-N 3.33Å; F200-D202 PolarHBondContact O-N 3.33Å; F200-H203 WeakPolarHBondContact O-CB 3.22Å; F200-H203 PolarHBondContact O-N 3.01Å; F200-H203 VanDerWaalsContact O-N 3.1Å; F200-I204 HydrophobicContact CD2-CG1 4.31Å; F200-I204 HydrophobicContact CE2-CD1 3.93Å; F200-I204 HydrophobicContact CE2-CG1 3.82Å; F200-I204 HydrophobicContact CZ-CD1 4.29Å; F200-I204 HydrophobicContact CZ-CG1 4.07Å; F200-I204 WeakPolarHBondContact O-CG1 3.34Å; F200-I204 PolarHBondContact O-N 2.82Å; F200-I204 VanDerWaalsContact O-N 3.16Å
201F87.3Confident81.1Confident44 Ų4460.7 Ų60.719%0.19331%0.314CS..Hα-helixtrans-63.6-38.6176.3-65.3-48.4000112A88 Q92 L95 N197 H203 I204 I205A88-F201 HydrophobicContact CB-CE1 4.37Å; A88-F201 HydrophobicContact CB-CZ 4.18Å; Q92-F201 HydrophobicContact CG-CE1 4.44Å; Q92-F201 HydrophobicContact CG-CZ 4.24Å; L95-F201 HydrophobicContact CD1-CB 4.47Å; L95-F201 HydrophobicContact CD1-CD1 3.32Å; L95-F201 HydrophobicContact CD1-CE1 3.64Å; L95-F201 HydrophobicContact CD1-CG 4.03Å; N197-F201 HydrophobicContact CB-CD2 4.28Å; N197-F201 HydrophobicContact CB-CE2 3.93Å; N197-F201 WeakPolarHBondContact O-CD2 3.41Å; N197-F201 WeakPolarHBondContact O-CG 3.39Å; N197-F201 PolarHBondContact O-N 3.46Å; F201-H203 VanDerWaalsContact C-N 3.25Å; F201-H203 PolarHBondContact O-N 3.41Å; F201-I204 PolarHBondContact O-N 3.35Å; F201-I205 HydrophobicContact CB-CD1 4.38Å; F201-I205 VanDerWaalsContact O-CB 3.3Å; F201-I205 WeakPolarHBondContact O-CB 3.24Å; F201-I205 WeakPolarHBondContact O-CD1 3.43Å; F201-I205 WeakPolarHBondContact O-CG1 3.37Å; F201-I205 PolarHBondContact O-N 3.45Å
202D84.8Confident79.7Confident5 Ų562.2 Ų62.23%0.02733%0.329CS..Hα-helixtrans-55.8-41.4171.7-82-20.1000112.8T198 F200 R206 R228T198-D202 PolarHBondContact O-N 2.72Å; F200-D202 VanDerWaalsContact C-N 3.33Å; F200-D202 PolarHBondContact O-N 3.33Å; D202-R206 WeakPolarHBondContact O-CB 3.3Å; D202-R206 WeakPolarHBondContact O-CD 3.27Å; D202-R206 WeakPolarHBondContact O-CG 3.22Å; D202-R206 PolarHBondContact O-N 2.93Å; D202-R228 IonicContact OD1-CZ 3.9Å; D202-R228 IonicContact OD1-NH1 3.83Å; D202-R228 IonicContact OD1-NH2 2.81Å; D202-R228 PolarHBondContact OD1-NH2 3.34Å; D202-R228 IonicContact OD2-CZ 3.73Å; D202-R228 VanDerWaalsContact OD2-CZ 3.22Å; D202-R228 IonicContact OD2-NH1 3.25Å; D202-R228 PolarHBondContact OD2-NH1 3.08Å; D202-R228 IonicContact OD2-NH2 2.73Å; D202-R228 PolarHBondContact OD2-NH2 2.89Å
203H86.9Confident78.5Confident21 Ų2163.7 Ų63.710%0.09733%0.33CS..Hα-helixtrans-61.1-49.4177157.686.7000110.9C98 C187 C190 Y194 K199 F200 F201 R206 Q207C98-H203 PolarHBondContact SG-NE2 3.04Å; C187-H203 PolarHBondContact SG-NE2 2.66Å; C190-H203 PolarHBondContact SG-CE1 3.28Å; C190-H203 PolarHBondContact SG-NE2 2.7Å; C190-H203 VanDerWaalsContact SG-NE2 3.43Å; Y194-H203 HydrophobicContact CE1-CB 3.76Å; Y194-H203 HydrophobicContact CE2-CB 4.33Å; Y194-H203 AromaticContact CZ-CD2 3.85Å; Y194-H203 AromaticContact CZ-CG 3.54Å; Y194-H203 AromaticContact CZ-ND1 3.94Å; Y194-H203 WeakPolarHBondContact OH-CB 3.28Å; Y194-H203 PolarHBondContact OH-CD2 2.82Å; Y194-H203 VanDerWaalsContact OH-CD2 3.25Å; Y194-H203 PolarHBondContact OH-CE1 2.9Å; Y194-H203 PolarHBondContact OH-ND1 3.26Å; Y194-H203 PolarHBondContact OH-NE2 3.21Å; K199-H203 PolarHBondContact O-N 3.11Å; K199-H203 VanDerWaalsContact O-N 3.09Å; F200-H203 WeakPolarHBondContact O-CB 3.22Å; F200-H203 PolarHBondContact O-N 3.01Å; F200-H203 VanDerWaalsContact O-N 3.1Å; F201-H203 VanDerWaalsContact C-N 3.25Å; F201-H203 PolarHBondContact O-N 3.41Å; H203-R206 PolarHBondContact O-N 3.46Å; H203-Q207 WeakPolarHBondContact O-CG 3.37Å; H203-Q207 PolarHBondContact O-N 3.02Å
204I85.9Confident77.4Confident0 Ų071.7 Ų71.70%036%0.358CS..Hα-helixtrans-63.3-46-179.6-60.5-67000111.2L89 L95 G96 C98 F200 F201 R206 Q207 N208L89-I204 HydrophobicContact CD1-CD1 4.45Å; L89-I204 HydrophobicContact CD2-CD1 4.48Å; L89-I204 HydrophobicContact CD2-CG1 4.11Å; L89-I204 HydrophobicContact CD2-CG2 4.2Å; L95-I204 HydrophobicContact CB-CG2 4.48Å; G96-I204 WeakPolarHBondContact O-CG2 3.41Å; C98-I204 HydrophobicContact CB-CD1 3.81Å; F200-I204 HydrophobicContact CD2-CG1 4.31Å; F200-I204 HydrophobicContact CE2-CD1 3.93Å; F200-I204 HydrophobicContact CE2-CG1 3.82Å; F200-I204 HydrophobicContact CZ-CD1 4.29Å; F200-I204 HydrophobicContact CZ-CG1 4.07Å; F200-I204 WeakPolarHBondContact O-CG1 3.34Å; F200-I204 PolarHBondContact O-N 2.82Å; F200-I204 VanDerWaalsContact O-N 3.16Å; F201-I204 PolarHBondContact O-N 3.35Å; I204-R206 VanDerWaalsContact C-N 3.31Å; I204-R206 PolarHBondContact O-N 2.81Å; I204-Q207 PolarHBondContact O-N 2.8Å; I204-N208 PolarHBondContact O-N 3.21Å; I204-N208 PolarHBondContact O-ND2 3.08Å
205I80.7Confident76.5Confident37 Ų3773.4 Ų73.419%0.1937%0.366CS..Hα-helixtrans-61.6-39.1-180-71167.2000111.4L95 F201 Q207 N208 A225 T226L95-I205 HydrophobicContact CD2-CD1 4.09Å; L95-I205 HydrophobicContact CD2-CG1 3.76Å; F201-I205 HydrophobicContact CB-CD1 4.38Å; F201-I205 VanDerWaalsContact O-CB 3.3Å; F201-I205 WeakPolarHBondContact O-CB 3.24Å; F201-I205 WeakPolarHBondContact O-CD1 3.43Å; F201-I205 WeakPolarHBondContact O-CG1 3.37Å; F201-I205 PolarHBondContact O-N 3.45Å; I205-Q207 PolarHBondContact O-N 3.37Å; I205-N208 PolarHBondContact O-N 3.46Å; I205-A225 HydrophobicContact CG2-CB 3.23Å; I205-T226 HydrophobicContact CD1-CG2 4.21Å; I205-T226 HydrophobicContact CG2-CG2 4.26Å
206R77.8Confident76.1Confident156 Ų15676.8 Ų76.859%0.58937%0.374SS*.Hα-helixtrans-63.9-25.9176.8-76.3170.5-173.3-151.45.4113.1D202 H203 I204 L229D202-R206 WeakPolarHBondContact O-CB 3.3Å; D202-R206 WeakPolarHBondContact O-CD 3.27Å; D202-R206 WeakPolarHBondContact O-CG 3.22Å; D202-R206 PolarHBondContact O-N 2.93Å; H203-R206 PolarHBondContact O-N 3.46Å; I204-R206 VanDerWaalsContact C-N 3.31Å; I204-R206 PolarHBondContact O-N 2.81Å; R206-L229 HydrophobicContact CG-CD1 4.24Å
207Q75.5Confident75.6Confident63 Ų6374 Ų7429%0.29436%0.36SS..Hα-helixtrans-86.3-26.4-178.5-64.4-43.2-43.300113.8S99 I100 H203 I204 I205 A209S99-Q207 WeakPolarHBondContact OG-CB 3.38Å; I100-Q207 VanDerWaalsContact CD1-CD 3.47Å; I100-Q207 HydrophobicContact CD1-CG 3.91Å; I100-Q207 VanDerWaalsContact CD1-NE2 3.32Å; I100-Q207 HydrophobicContact CG1-CG 4.12Å; H203-Q207 WeakPolarHBondContact O-CG 3.37Å; H203-Q207 PolarHBondContact O-N 3.02Å; I204-Q207 PolarHBondContact O-N 2.8Å; I205-Q207 PolarHBondContact O-N 3.37Å; Q207-A209 PolarHBondContact O-N 3.27Å
208N69.8Low74.9Confident66 Ų6674.1 Ų74.135%0.35337%0.367SS..SBendtrans-77.949179.3-76.4-52.4000112.7G96 I204 I205 M210G96-N208 WeakPolarHBondContact CA-ND2 3.38Å; G96-N208 PolarHBondContact N-ND2 3.13Å; I204-N208 PolarHBondContact O-N 3.21Å; I204-N208 PolarHBondContact O-ND2 3.08Å; I205-N208 PolarHBondContact O-N 3.46Å; N208-M210 PolarHBondContact O-N 3.39Å
209A59.4Low73.9Confident60 Ų6072.2 Ų72.250%0.49635%0.353SS..THydrogen-bonded Turntrans-63.6105.8-176.300000111.7Q207Q207-A209 PolarHBondContact O-N 3.27Å
210M53.6Low73.2Confident168 Ų16868.8 Ų68.883%0.82834%0.341SS*.THydrogen-bonded Turn170.1-31.7124.7-86.8-76.3-95.900111.6N208N208-M210 PolarHBondContact O-N 3.39Å
211E54.1Low72.3Confident192 Ų19273.2 Ų73.290%0.89737%0.372SS*.THydrogen-bonded Turntrans-86.3-21.2-173.9-131.2167.7-164.900114
212G55.9Low71.6Confident36 Ų3677 Ų7737%0.37139%0.389SS..SBendtrans-102-4.9-17500000116.4R214 A225G212-R214 PolarHBondContact O-N 3.19Å; G212-A225 WeakPolarHBondContact O-CA 3.43Å
213Q64.7Low71.3Confident54 Ų5483.3 Ų83.325%0.25241%0.412SS..  trans-82.164.9-175.2-64.7-176.525.100112.3R223 F224 A225Q213-R223 HydrophobicContact CB-CB 3.86Å; Q213-R223 PolarHBondContact O-NE 3.42Å; Q213-R223 PolarHBondContact O-NH2 3.19Å; Q213-F224 CarbonylContact C-O 3.41Å; Q213-F224 WeakPolarHBondContact CA-O 3.42Å; Q213-A225 HydrophobicContact CG-CB 4.44Å
214R68.3Low70.8Confident208 Ų20884.1 Ų84.179%0.78542%0.415SS*.  trans-77.1-23.6-178.1-63.7-174.7174.7-171-3.2113.2G212G212-R214 PolarHBondContact O-N 3.19Å
215F72.5Confident70.3Confident77 Ų7785.3 Ų85.334%0.33843%0.425SS..EExtended strand (participates in β ladder)trans-98.4100.3-172.9-59.1-77.6000111R223 F224 E227 L230F215-R223 CarbonylContact O-C 3.57Å; F215-R223 WeakPolarHBondContact O-CA 3.49Å; F215-F224 HydrophobicContact CB-CB 4.42Å; F215-F224 WeakPolarHBondContact CB-O 3.48Å; F215-F224 PolarHBondContact N-O 2.8Å; F215-F224 VanDerWaalsContact N-O 3.09Å; F215-F224 PolarHBondContact O-N 3.07Å; F215-E227 HydrophobicContact CD1-CB 4.42Å; F215-E227 HydrophobicContact CE1-CB 4.1Å; F215-E227 HydrophobicContact CE1-CG 4.42Å; F215-E227 HydrophobicContact CE2-CB 4.47Å; F215-E227 HydrophobicContact CZ-CB 4.12Å; F215-L230 HydrophobicContact CB-CB 4.17Å; F215-L230 HydrophobicContact CB-CD2 3.91Å
216Q79.3Confident70Confident116 Ų11685.2 Ų85.254%0.54243%0.426SS..EExtended strand (participates in β ladder)trans-86.7136.5173.4-173.2173.413.700110.5S218 R223Q216-S218 PolarHBondContact O-N 2.95Å; Q216-R223 HydrophobicContact CB-CG 4.31Å; Q216-R223 HydrophobicContact CG-CG 4.26Å
217C78.1Confident70.1Confident4 Ų482.7 Ų82.73%0.02742%0.421CS..  trans-69.6126.5168.81790000109.8H219 K222 F224 L230 H237C217-H219 PolarHBondContact O-N 3.23Å; C217-H219 PolarHBondContact SG-N 2.86Å; C217-H219 VanDerWaalsContact SG-N 3.37Å; C217-K222 PolarHBondContact N-O 3.46Å; C217-F224 HydrophobicContact CB-CE2 4.13Å; C217-L230 HydrophobicContact CB-CD1 3.77Å; C217-H237 PolarHBondContact SG-NE2 3.1Å; C217-H237 VanDerWaalsContact SG-NE2 3.4Å
218S73Confident70.4Confident82 Ų8283.7 Ų83.757%0.57342%0.422SS*.SBendtrans-60.6-26.9173.849.20000112.7Q216 K368Q216-S218 PolarHBondContact O-N 2.95Å; S218-K368 PolarHBondContact O-NZ 3.41Å
219H66.3Low70.9Confident28 Ų2880.8 Ų80.813%0.1341%0.407CS..SBendtrans-95.8-19-173.4-48.9-76000114.5C217 M234 K368 Y382C217-H219 PolarHBondContact O-N 3.23Å; C217-H219 PolarHBondContact SG-N 2.86Å; C217-H219 VanDerWaalsContact SG-N 3.37Å; H219-M234 WeakPolarHBondContact CD2-CE 3.48Å; H219-M234 PolarHBondContact CD2-SD 3.05Å; H219-M234 WeakPolarHBondContact NE2-CE 3.3Å; H219-K368 WeakPolarHBondContact O-CE 3.44Å; H219-Y382 AromaticContact CE1-CD2 3.97Å; H219-Y382 AromaticContact CE1-CE1 3.56Å; H219-Y382 AromaticContact CE1-CE2 3.4Å; H219-Y382 VanDerWaalsContact CE1-CE2 3.4Å; H219-Y382 WeakPolarHBondContact CE1-CE2 3.35Å; H219-Y382 AromaticContact CE1-CZ 3.15Å; H219-Y382 PolarHBondContact CE1-OH 2.61Å; H219-Y382 VanDerWaalsContact CE1-OH 3.32Å; H219-Y382 AromaticContact ND1-CD2 3.75Å; H219-Y382 AromaticContact ND1-CE2 3.03Å; H219-Y382 WeakPolarHBondContact ND1-CE2 3.45Å; H219-Y382 AromaticContact ND1-CZ 3.21Å; H219-Y382 PolarHBondContact ND1-OH 2.86Å
220C73.2Confident72Confident28 Ų2879.4 Ų79.419%0.18939%0.391CS..SBendtrans-147158.7175.572.60000111.3K222 H233C220-K222 PolarHBondContact O-N 3.43Å; C220-H233 PolarHBondContact SG-NE2 2.76Å
221S71.3Confident73.4Confident92 Ų9278 Ų7864%0.64338%0.376SS*.SBendtrans-6913.7-178.851.40000114.9
222K71.7Confident74.6Confident125 Ų12570.8 Ų70.854%0.54334%0.344SS..  trans-81.2133178.1-64.1-175.7178.8-173.20110.6C217 C220 F224C217-K222 PolarHBondContact N-O 3.46Å; C220-K222 PolarHBondContact O-N 3.43Å; K222-F224 HydrophobicContact CB-CE2 3.76Å; K222-F224 HydrophobicContact CB-CZ 3.85Å; K222-F224 HydrophobicContact CD-CZ 4.39Å
223R78.8Confident75.8Confident137 Ų13770.2 Ų70.252%0.51733%0.331SS..EExtended strand (participates in β ladder)trans-107.8147.2174-54.9177.672141.13.3110Q213 F215 Q216Q213-R223 HydrophobicContact CB-CB 3.86Å; Q213-R223 PolarHBondContact O-NE 3.42Å; Q213-R223 PolarHBondContact O-NH2 3.19Å; F215-R223 CarbonylContact O-C 3.57Å; F215-R223 WeakPolarHBondContact O-CA 3.49Å; Q216-R223 HydrophobicContact CB-CG 4.31Å; Q216-R223 HydrophobicContact CG-CG 4.26Å
224F77.2Confident76.5Confident38 Ų3869.6 Ų69.617%0.16733%0.329CS..EExtended strand (participates in β ladder)trans-129.5147.9-176.4-60.5-86.3000109.2Q213 F215 C217 K222 L229 L230 H233Q213-F224 CarbonylContact C-O 3.41Å; Q213-F224 WeakPolarHBondContact CA-O 3.42Å; F215-F224 HydrophobicContact CB-CB 4.42Å; F215-F224 WeakPolarHBondContact CB-O 3.48Å; F215-F224 PolarHBondContact N-O 2.8Å; F215-F224 VanDerWaalsContact N-O 3.09Å; F215-F224 PolarHBondContact O-N 3.07Å; C217-F224 HydrophobicContact CB-CE2 4.13Å; K222-F224 HydrophobicContact CB-CE2 3.76Å; K222-F224 HydrophobicContact CB-CZ 3.85Å; K222-F224 HydrophobicContact CD-CZ 4.39Å; F224-L229 HydrophobicContact CB-CB 4.26Å; F224-L229 HydrophobicContact CD1-CB 4.11Å; F224-L230 HydrophobicContact CB-CB 4.18Å; F224-L230 HydrophobicContact CD2-CB 4.13Å; F224-L230 HydrophobicContact CD2-CD1 3.75Å; F224-L230 HydrophobicContact CE2-CD1 4.06Å; F224-L230 HydrophobicContact CG-CB 4.28Å; F224-H233 HydrophobicContact CE1-CB 3.74Å; F224-H233 AromaticContact CE1-CG 3.94Å; F224-H233 HydrophobicContact CE2-CB 3.91Å; F224-H233 AromaticContact CE2-CD2 3.23Å; F224-H233 WeakPolarHBondContact CE2-CD2 3.49Å; F224-H233 AromaticContact CE2-CG 3.59Å; F224-H233 AromaticContact CE2-NE2 3.92Å; F224-H233 HydrophobicContact CZ-CB 3.4Å; F224-H233 VanDerWaalsContact CZ-CB 3.4Å; F224-H233 AromaticContact CZ-CD2 3.25Å; F224-H233 WeakPolarHBondContact CZ-CD2 3.21Å; F224-H233 AromaticContact CZ-CG 3.12Å; F224-H233 AromaticContact CZ-ND1 3.69Å; F224-H233 AromaticContact CZ-NE2 3.83Å
225A74.3Confident77Confident25 Ų2566.2 Ų66.221%0.20732%0.316CS..SBendtrans-84.7-19.1-17800000113.7I205 G212 Q213I205-A225 HydrophobicContact CG2-CB 3.23Å; G212-A225 WeakPolarHBondContact O-CA 3.43Å; Q213-A225 HydrophobicContact CG-CB 4.44Å
226T75.6Confident77.1Confident34 Ų3466.3 Ų66.321%0.20932%0.323CS..SBendtrans-134.4150.5176.966.30000111.2I205 R228 L229 L230I205-T226 HydrophobicContact CD1-CG2 4.21Å; I205-T226 HydrophobicContact CG2-CG2 4.26Å; T226-R228 VanDerWaalsContact C-N 3.27Å; T226-R228 PolarHBondContact O-N 3.09Å; T226-L229 PolarHBondContact O-N 3.46Å; T226-L229 WeakPolarHBondContact OG1-CB 3.37Å; T226-L229 WeakPolarHBondContact OG1-CD1 3.46Å; T226-L229 WeakPolarHBondContact OG1-CG 3.3Å; T226-L229 PolarHBondContact OG1-N 3.06Å; T226-L230 PolarHBondContact O-N 3.41Å; T226-L230 VanDerWaalsContact O-N 3.08Å
227E79.4Confident76.7Confident104 Ų10462.6 Ų62.649%0.48631%0.306SS..Hα-helixtrans-59.8-38.6176.2-165.1-155.5138.600111.5F215 L229 L230 R231F215-E227 HydrophobicContact CD1-CB 4.42Å; F215-E227 HydrophobicContact CE1-CB 4.1Å; F215-E227 HydrophobicContact CE1-CG 4.42Å; F215-E227 HydrophobicContact CE2-CB 4.47Å; F215-E227 HydrophobicContact CZ-CB 4.12Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.38Å; E227-L230 PolarHBondContact O-N 3.07Å; E227-R231 WeakPolarHBondContact O-CB 3.43Å; E227-R231 PolarHBondContact O-N 3.21Å; E227-R231 IonicContact OE1-CZ 3.09Å; E227-R231 IonicContact OE1-NE 2.67Å; E227-R231 IonicContact OE1-NH2 2.66Å; E227-R231 PolarHBondContact OE1-NH2 3.3Å
228R81.8Confident76.7Confident83 Ų8364.2 Ų64.231%0.31332%0.316SS..Hα-helixtrans-60.2-42.3176.2-178.217357.575.90.1112.1D202 T226 R231 D232D202-R228 IonicContact OD1-CZ 3.9Å; D202-R228 IonicContact OD1-NH1 3.83Å; D202-R228 IonicContact OD1-NH2 2.81Å; D202-R228 PolarHBondContact OD1-NH2 3.34Å; D202-R228 IonicContact OD2-CZ 3.73Å; D202-R228 VanDerWaalsContact OD2-CZ 3.22Å; D202-R228 IonicContact OD2-NH1 3.25Å; D202-R228 PolarHBondContact OD2-NH1 3.08Å; D202-R228 IonicContact OD2-NH2 2.73Å; D202-R228 PolarHBondContact OD2-NH2 2.89Å; T226-R228 VanDerWaalsContact C-N 3.27Å; T226-R228 PolarHBondContact O-N 3.09Å; R228-R231 PolarHBondContact O-N 3.48Å; R228-D232 IonicContact NH1-OD2 2.86Å; R228-D232 WeakPolarHBondContact O-CB 3.3Å; R228-D232 VanDerWaalsContact O-CG 3.28Å; R228-D232 PolarHBondContact O-N 3.35Å
229L80.3Confident77Confident6 Ų660.6 Ų60.63%0.03129%0.29CS..Hα-helixtrans-67.2-38177.4-72.7175.5000111.7R206 F224 T226 E227 H233R206-L229 HydrophobicContact CG-CD1 4.24Å; F224-L229 HydrophobicContact CB-CB 4.26Å; F224-L229 HydrophobicContact CD1-CB 4.11Å; T226-L229 PolarHBondContact O-N 3.46Å; T226-L229 WeakPolarHBondContact OG1-CB 3.37Å; T226-L229 WeakPolarHBondContact OG1-CD1 3.46Å; T226-L229 WeakPolarHBondContact OG1-CG 3.3Å; T226-L229 PolarHBondContact OG1-N 3.06Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.38Å; L229-H233 WeakPolarHBondContact O-CB 3.26Å; L229-H233 PolarHBondContact O-N 3.42Å
230L82.4Confident77.6Confident30 Ų3063.2 Ų63.216%0.15730%0.302CS..Hα-helixtrans-62.5-46.1171.4173.761.1000110.8F215 C217 F224 T226 E227 D232 H233 M234F215-L230 HydrophobicContact CB-CB 4.17Å; F215-L230 HydrophobicContact CB-CD2 3.91Å; C217-L230 HydrophobicContact CB-CD1 3.77Å; F224-L230 HydrophobicContact CB-CB 4.18Å; F224-L230 HydrophobicContact CD2-CB 4.13Å; F224-L230 HydrophobicContact CD2-CD1 3.75Å; F224-L230 HydrophobicContact CE2-CD1 4.06Å; F224-L230 HydrophobicContact CG-CB 4.28Å; T226-L230 PolarHBondContact O-N 3.41Å; T226-L230 VanDerWaalsContact O-N 3.08Å; E227-L230 PolarHBondContact O-N 3.07Å; L230-D232 PolarHBondContact O-N 3.44Å; L230-H233 CarbonylContact O-C 3.53Å; L230-H233 WeakPolarHBondContact O-CA 3.36Å; L230-H233 WeakPolarHBondContact O-CB 3.45Å; L230-H233 PolarHBondContact O-N 3.38Å; L230-H233 VanDerWaalsContact O-N 3.14Å; L230-M234 HydrophobicContact CD1-CG 4.13Å; L230-M234 HydrophobicContact CD1-SD 4.36Å; L230-M234 HydrophobicContact CG-CG 4.33Å; L230-M234 WeakPolarHBondContact O-CB 3.35Å; L230-M234 WeakPolarHBondContact O-CG 3.33Å; L230-M234 PolarHBondContact O-N 3.18Å
231R82.2Confident77.9Confident138 Ų13866.6 Ų66.652%0.52131%0.312SS..Hα-helixtrans-61.4-43.4178.1-165.8-174.5-57.21681.8111.9E227 R228 H233 M234 R235E227-R231 WeakPolarHBondContact O-CB 3.43Å; E227-R231 PolarHBondContact O-N 3.21Å; E227-R231 IonicContact OE1-CZ 3.09Å; E227-R231 IonicContact OE1-NE 2.67Å; E227-R231 IonicContact OE1-NH2 2.66Å; E227-R231 PolarHBondContact OE1-NH2 3.3Å; R228-R231 PolarHBondContact O-N 3.48Å; R231-H233 VanDerWaalsContact C-N 3.3Å; R231-H233 PolarHBondContact O-N 3.16Å; R231-M234 WeakPolarHBondContact O-CB 3.33Å; R231-M234 PolarHBondContact O-N 2.95Å; R231-R235 PolarHBondContact O-N 3.06Å
232D80.1Confident78.4Confident42 Ų4264.3 Ų64.323%0.22529%0.29CS..Hα-helixtrans-60.2-42.3173.9-74.8-16.7000111.3R228 L230 R235R228-D232 IonicContact NH1-OD2 2.86Å; R228-D232 WeakPolarHBondContact O-CB 3.3Å; R228-D232 VanDerWaalsContact O-CG 3.28Å; R228-D232 PolarHBondContact O-N 3.35Å; L230-D232 PolarHBondContact O-N 3.44Å; D232-R235 IonicContact OD1-CZ 3.83Å; D232-R235 IonicContact OD1-NH1 3.73Å; D232-R235 PolarHBondContact OD1-NH1 3Å; D232-R235 IonicContact OD1-NH2 2.78Å; D232-R235 PolarHBondContact OD1-NH2 2.91Å
233H82.2Confident79Confident23 Ų2358.4 Ų58.411%0.10627%0.265CS..Hα-helixtrans-66.1-37.7174.2173.660.3000112.4C220 F224 L229 L230 R231 R235 T236 H237C220-H233 PolarHBondContact SG-NE2 2.76Å; F224-H233 HydrophobicContact CE1-CB 3.74Å; F224-H233 AromaticContact CE1-CG 3.94Å; F224-H233 HydrophobicContact CE2-CB 3.91Å; F224-H233 AromaticContact CE2-CD2 3.23Å; F224-H233 WeakPolarHBondContact CE2-CD2 3.49Å; F224-H233 AromaticContact CE2-CG 3.59Å; F224-H233 AromaticContact CE2-NE2 3.92Å; F224-H233 HydrophobicContact CZ-CB 3.4Å; F224-H233 VanDerWaalsContact CZ-CB 3.4Å; F224-H233 AromaticContact CZ-CD2 3.25Å; F224-H233 WeakPolarHBondContact CZ-CD2 3.21Å; F224-H233 AromaticContact CZ-CG 3.12Å; F224-H233 AromaticContact CZ-ND1 3.69Å; F224-H233 AromaticContact CZ-NE2 3.83Å; L229-H233 WeakPolarHBondContact O-CB 3.26Å; L229-H233 PolarHBondContact O-N 3.42Å; L230-H233 CarbonylContact O-C 3.53Å; L230-H233 WeakPolarHBondContact O-CA 3.36Å; L230-H233 WeakPolarHBondContact O-CB 3.45Å; L230-H233 PolarHBondContact O-N 3.38Å; L230-H233 VanDerWaalsContact O-N 3.14Å; R231-H233 VanDerWaalsContact C-N 3.3Å; R231-H233 PolarHBondContact O-N 3.16Å; H233-R235 PolarHBondContact O-N 3.47Å; H233-T236 WeakPolarHBondContact O-CB 3.35Å; H233-T236 PolarHBondContact O-N 3.36Å; H233-T236 PolarHBondContact O-OG1 2.87Å; H233-H237 AromaticContact CD2-NE2 3.71Å; H233-H237 AromaticContact CE1-NE2 3.34Å; H233-H237 PolarHBondContact CE1-NE2 3.19Å; H233-H237 VanDerWaalsContact CE1-NE2 3.34Å; H233-H237 AromaticContact NE2-CD2 3.71Å; H233-H237 AromaticContact NE2-CE1 3.85Å; H233-H237 AromaticContact NE2-NE2 2.89Å; H233-H237 PolarHBondContact NE2-NE2 3Å
234M79.3Confident79.2Confident42 Ų4257 Ų5721%0.20727%0.273CS..Hα-helixtrans-60.6-35179.9-81.3-44.8-46.900112.6H219 L230 R231 T236 H237 V238H219-M234 WeakPolarHBondContact CD2-CE 3.48Å; H219-M234 PolarHBondContact CD2-SD 3.05Å; H219-M234 WeakPolarHBondContact NE2-CE 3.3Å; L230-M234 HydrophobicContact CD1-CG 4.13Å; L230-M234 HydrophobicContact CD1-SD 4.36Å; L230-M234 HydrophobicContact CG-CG 4.33Å; L230-M234 WeakPolarHBondContact O-CB 3.35Å; L230-M234 WeakPolarHBondContact O-CG 3.33Å; L230-M234 PolarHBondContact O-N 3.18Å; R231-M234 WeakPolarHBondContact O-CB 3.33Å; R231-M234 PolarHBondContact O-N 2.95Å; M234-T236 PolarHBondContact O-N 3.13Å; M234-T236 VanDerWaalsContact O-N 3.11Å; M234-H237 HydrophobicContact CE-CB 4.09Å; M234-H237 PolarHBondContact O-N 3.4Å; M234-V238 PolarHBondContact O-N 2.86Å
235R78.7Confident79.3Confident136 Ų13660.4 Ų60.451%0.51329%0.293SS..THydrogen-bonded Turntrans-60.5-20.4172.8-58.5-167.9-146.798.99.4113.6R231 D232 H233R231-R235 PolarHBondContact O-N 3.06Å; D232-R235 IonicContact OD1-CZ 3.83Å; D232-R235 IonicContact OD1-NH1 3.73Å; D232-R235 PolarHBondContact OD1-NH1 3Å; D232-R235 IonicContact OD1-NH2 2.78Å; D232-R235 PolarHBondContact OD1-NH2 2.91Å; H233-R235 PolarHBondContact O-N 3.47Å
236T73.2Confident79.6Confident79 Ų7961 Ų6149%0.48530%0.295SS..THydrogen-bonded Turntrans-82.7-15.417778.30000113.4H233 M234 P251H233-T236 WeakPolarHBondContact O-CB 3.35Å; H233-T236 PolarHBondContact O-N 3.36Å; H233-T236 PolarHBondContact O-OG1 2.87Å; M234-T236 PolarHBondContact O-N 3.13Å; M234-T236 VanDerWaalsContact O-N 3.11Å; T236-P251 WeakPolarHBondContact O-CB 3.06Å; T236-P251 WeakPolarHBondContact O-CG 3.49Å
237H71.7Confident79.6Confident39 Ų3962.8 Ų62.818%0.18130%0.303CS..THydrogen-bonded Turntrans-84.7-35.5170.9-67.5-63.2000111.8C217 H233 M234 S239C217-H237 PolarHBondContact SG-NE2 3.1Å; C217-H237 VanDerWaalsContact SG-NE2 3.4Å; H233-H237 AromaticContact CD2-NE2 3.71Å; H233-H237 AromaticContact CE1-NE2 3.34Å; H233-H237 PolarHBondContact CE1-NE2 3.19Å; H233-H237 VanDerWaalsContact CE1-NE2 3.34Å; H233-H237 AromaticContact NE2-CD2 3.71Å; H233-H237 AromaticContact NE2-CE1 3.85Å; H233-H237 AromaticContact NE2-NE2 2.89Å; H233-H237 PolarHBondContact NE2-NE2 3Å; M234-H237 HydrophobicContact CE-CB 4.09Å; M234-H237 PolarHBondContact O-N 3.4Å; H237-S239 PolarHBondContact O-N 3.31Å
238V77.3Confident79.5Confident38 Ų3858.6 Ų58.623%0.2328%0.284CS..SBendtrans-77118.8179.6-1730000110.3M234 H240 P251 Y382M234-V238 PolarHBondContact O-N 2.86Å; V238-H240 WeakPolarHBondContact CG1-CE1 3.35Å; V238-H240 PolarHBondContact O-ND1 3.06Å; V238-H240 VanDerWaalsContact O-ND1 3.15Å; V238-P251 WeakPolarHBondContact O-CA 3.37Å; V238-Y382 WeakPolarHBondContact CA-O 3.41Å
239S79.6Confident79.4Confident5 Ų554.9 Ų54.94%0.03527%0.27CS..BIsolated β-bridgetrans-91.2124.2176.8-62.40000111.2H237 R381 Y382 S384 L387H237-S239 PolarHBondContact O-N 3.31Å; S239-R381 PolarHBondContact OG-NH2 3.46Å; S239-Y382 PolarHBondContact N-O 3.49Å; S239-S384 PolarHBondContact O-N 3Å; S239-L387 VanDerWaalsContact O-CD2 3.29Å; S239-L387 WeakPolarHBondContact O-CD2 3.41Å
240H79.6Confident79.4Confident83 Ų8355 Ų5538%0.38427%0.271SS..  trans-113-21.1-178.6-57.885.6000112.2V238 C250V238-H240 WeakPolarHBondContact CG1-CE1 3.35Å; V238-H240 PolarHBondContact O-ND1 3.06Å; V238-H240 VanDerWaalsContact O-ND1 3.15Å; H240-C250 PolarHBondContact N-O 2.65Å; H240-C250 VanDerWaalsContact N-O 3.13Å
241Y79.9Confident79.2Confident100 Ų10055.4 Ų55.439%0.39228%0.276SS..EExtended strand (participates in β ladder)trans-109.6110.2-168.5-59-79.7000111.4T249 C250 P253Y241-T249 CarbonylContact O-C 3.53Å; Y241-T249 VanDerWaalsContact O-CA 3.3Å; Y241-T249 WeakPolarHBondContact O-CA 3.36Å; Y241-C250 PolarHBondContact N-O 2.96Å; Y241-C250 PolarHBondContact O-N 2.89Å; Y241-P253 HydrophobicContact CD1-CG 4.47Å; Y241-P253 HydrophobicContact CD2-CG 4.45Å; Y241-P253 HydrophobicContact CE1-CG 3.87Å; Y241-P253 VanDerWaalsContact CE2-CD 3.43Å; Y241-P253 HydrophobicContact CE2-CG 3.84Å
242K81.8Confident79.3Confident44 Ų4450.5 Ų50.519%0.19126%0.263CS..EExtended strand (participates in β ladder)trans-78.9139.4172.9-168.9178.7176.6169.50111.3D247 T249 L387 L391 E394K242-D247 IonicContact NZ-OD1 3.86Å; K242-T249 HydrophobicContact CB-CG2 4.45Å; K242-T249 HydrophobicContact CG-CG2 4.39Å; K242-L387 HydrophobicContact CB-CD1 3.95Å; K242-L391 HydrophobicContact CD-CD2 3.69Å; K242-E394 IonicContact NZ-OE2 2.59Å; K242-E394 PolarHBondContact NZ-OE2 2.79Å
243C83.8Confident79.4Confident1 Ų151.6 Ų51.61%0.00727%0.273CS..  trans-73.1132.3169-1750000110.4L245 C246 M248 L256C243-L245 PolarHBondContact O-N 2.9Å; C243-L245 PolarHBondContact SG-N 3.16Å; C243-C246 CarbonylContact C-O 3.57Å; C243-C246 WeakPolarHBondContact CB-O 3.3Å; C243-M248 HydrophobicContact CB-CB 4.3Å; C243-M248 VanDerWaalsContact CB-O 3.28Å; C243-M248 WeakPolarHBondContact CB-O 3.21Å; C243-M248 PolarHBondContact N-O 2.68Å; C243-L256 HydrophobicContact CB-CD1 3.76Å
244P82.3Confident79.5Confident107 Ų10753.9 Ų53.970%0.69529%0.291SS*.SBendtrans-72.1-15.6176.926.5-32.5000113.2
245L80Confident79.8Confident109 Ų10954.4 Ų54.457%0.57130%0.299SS*.SBendtrans-106.9-9.5-173-58175.7000113.5C243 I260 H264C243-L245 PolarHBondContact O-N 2.9Å; C243-L245 PolarHBondContact SG-N 3.16Å; L245-I260 HydrophobicContact CD1-CG2 4.4Å; L245-H264 VanDerWaalsContact CB-CE1 3.48Å; L245-H264 WeakPolarHBondContact CB-CE1 3.46Å; L245-H264 HydrophobicContact CD1-CB 3.45Å; L245-H264 VanDerWaalsContact CD1-CB 3.45Å; L245-H264 PolarHBondContact O-CE1 3.39Å
246C80.2Confident80.1Confident39 Ų3949.1 Ų49.126%0.26428%0.281SS..SBendtrans-160.1170.917368.80000111C243 M248 H259 H264C243-C246 CarbonylContact C-O 3.57Å; C243-C246 WeakPolarHBondContact CB-O 3.3Å; C246-M248 PolarHBondContact O-N 3.19Å; C246-M248 WeakPolarHBondContact SG-CB 3.4Å; C246-H259 PolarHBondContact SG-NE2 2.89Å; C246-H264 PolarHBondContact SG-NE2 3.21Å
247D76.2Confident80.7Confident70 Ų7053.8 Ų53.837%0.37429%0.289SS..SBendtrans-75.513.5-179.8-57.4-49.3000114.3K242 T249K242-D247 IonicContact NZ-OD1 3.86Å; D247-T249 PolarHBondContact O-N 2.65Å
248M76.7Confident81.2Confident17 Ų1754.7 Ų54.78%0.08430%0.3CS..  trans-70.5128.6175.7174.55678.100110.7C243 C246 G361 P363C243-M248 HydrophobicContact CB-CB 4.3Å; C243-M248 VanDerWaalsContact CB-O 3.28Å; C243-M248 WeakPolarHBondContact CB-O 3.21Å; C243-M248 PolarHBondContact N-O 2.68Å; C246-M248 PolarHBondContact O-N 3.19Å; C246-M248 WeakPolarHBondContact SG-CB 3.4Å; M248-G361 WeakPolarHBondContact CB-O 3.37Å; M248-G361 WeakPolarHBondContact CE-O 3.35Å; M248-P363 HydrophobicContact CE-CG 3.54Å
249T80.4Confident81.6Confident4 Ų454 Ų543%0.02529%0.294CS..EExtended strand (participates in β ladder)trans-103.5150.516965.10000110.7Y241 K242 D247 R381 E383 L387Y241-T249 CarbonylContact O-C 3.53Å; Y241-T249 VanDerWaalsContact O-CA 3.3Å; Y241-T249 WeakPolarHBondContact O-CA 3.36Å; K242-T249 HydrophobicContact CB-CG2 4.45Å; K242-T249 HydrophobicContact CG-CG2 4.39Å; D247-T249 PolarHBondContact O-N 2.65Å; T249-R381 PolarHBondContact O-NH2 3.31Å; T249-R381 PolarHBondContact OG1-NE 3.33Å; T249-R381 PolarHBondContact OG1-NH2 2.89Å; T249-E383 WeakPolarHBondContact CG2-OE1 3.35Å; T249-E383 PolarHBondContact OG1-OE1 2.78Å; T249-L387 HydrophobicContact CG2-CD2 3.71Å; T249-L387 HydrophobicContact CG2-CG 4.5Å
250C79.1Confident81.8Confident8 Ų856.2 Ų56.25%0.05431%0.305CS..EExtended strand (participates in β ladder)trans-131.5146.4-175.5-73.60000110.9H240 Y241 L256H240-C250 PolarHBondContact N-O 2.65Å; H240-C250 VanDerWaalsContact N-O 3.13Å; Y241-C250 PolarHBondContact N-O 2.96Å; Y241-C250 PolarHBondContact O-N 2.89Å; C250-L256 HydrophobicContact CB-CB 3.96Å
251P80Confident82Confident39 Ų3955.7 Ų55.725%0.25330%0.302SS..SBendtrans-78-18.4178.330.6-35.5000114.1T236 V238T236-P251 WeakPolarHBondContact O-CB 3.06Å; T236-P251 WeakPolarHBondContact O-CG 3.49Å; V238-P251 WeakPolarHBondContact O-CA 3.37Å
252S82.9Confident82.1Confident36 Ų3654.5 Ų54.525%0.25230%0.299SS..SBendtrans-141.7155.4179.279.20000112.7S254 S255 L256S252-S254 VanDerWaalsContact C-N 3.29Å; S252-S254 PolarHBondContact O-N 3.01Å; S252-S255 WeakPolarHBondContact O-CB 3.49Å; S252-S255 PolarHBondContact O-N 2.59Å; S252-S255 WeakPolarHBondContact OG-CB 3.41Å; S252-S255 PolarHBondContact OG-N 2.81Å; S252-S255 PolarHBondContact OG-OG 3.31Å; S252-L256 PolarHBondContact O-N 3Å
253P83.5Confident82Confident65 Ų6560.2 Ų60.242%0.42232%0.319SS..Hα-helixtrans-60.9-38.7175.3-21.332.7000112.2Y241 S255 L256 R257Y241-P253 HydrophobicContact CD1-CG 4.47Å; Y241-P253 HydrophobicContact CD2-CG 4.45Å; Y241-P253 HydrophobicContact CE1-CG 3.87Å; Y241-P253 VanDerWaalsContact CE2-CD 3.43Å; Y241-P253 HydrophobicContact CE2-CG 3.84Å; P253-S255 PolarHBondContact O-N 2.89Å; P253-L256 PolarHBondContact O-N 3.08Å; P253-R257 PolarHBondContact O-N 3.11Å
254S84.6Confident81.9Confident71 Ų7163.3 Ų63.350%0.49733%0.333SS..Hα-helixtrans-62.3-43.7176.8-58.40000111.2S252 L256 R257 S258S252-S254 VanDerWaalsContact C-N 3.29Å; S252-S254 PolarHBondContact O-N 3.01Å; S254-L256 VanDerWaalsContact C-N 3.34Å; S254-L256 PolarHBondContact O-N 3.15Å; S254-R257 PolarHBondContact O-N 3.31Å; S254-S258 PolarHBondContact O-N 3.05Å; S254-S258 PolarHBondContact O-OG 2.88Å
255S83.7Confident81.8Confident52 Ų5259.5 Ų59.536%0.36431%0.309SS..Hα-helixtrans-63-39.5174.7-57.80000112.2S252 P253 S258 H259S252-S255 WeakPolarHBondContact O-CB 3.49Å; S252-S255 PolarHBondContact O-N 2.59Å; S252-S255 WeakPolarHBondContact OG-CB 3.41Å; S252-S255 PolarHBondContact OG-N 2.81Å; S252-S255 PolarHBondContact OG-OG 3.31Å; P253-S255 PolarHBondContact O-N 2.89Å; S255-S258 PolarHBondContact O-N 3.01Å; S255-H259 WeakPolarHBondContact O-CB 3.47Å; S255-H259 PolarHBondContact O-N 3.45Å
256L85.6Confident81.8Confident26 Ų2661.3 Ų61.314%0.13632%0.32CS..Hα-helixtrans-64.5-46.6175.7177.963.9000111.5C243 C250 S252 P253 S254 S258 H259 I260C243-L256 HydrophobicContact CB-CD1 3.76Å; C250-L256 HydrophobicContact CB-CB 3.96Å; S252-L256 PolarHBondContact O-N 3Å; P253-L256 PolarHBondContact O-N 3.08Å; S254-L256 VanDerWaalsContact C-N 3.34Å; S254-L256 PolarHBondContact O-N 3.15Å; L256-S258 VanDerWaalsContact C-N 3.33Å; L256-S258 PolarHBondContact O-N 3.13Å; L256-H259 WeakPolarHBondContact O-CB 3.43Å; L256-H259 PolarHBondContact O-N 3.28Å; L256-H259 VanDerWaalsContact O-N 3.12Å; L256-I260 HydrophobicContact CD1-CD1 4.06Å; L256-I260 HydrophobicContact CD1-CG1 4.2Å; L256-I260 HydrophobicContact CD2-CD1 4.49Å; L256-I260 HydrophobicContact CG-CD1 3.94Å; L256-I260 HydrophobicContact CG-CG1 4.47Å; L256-I260 WeakPolarHBondContact O-CG1 2.86Å; L256-I260 PolarHBondContact O-N 2.81Å
257R85.3Confident81.8Confident176 Ų17666 Ų6666%0.66434%0.338SS*.Hα-helixtrans-58.5-46.4177-171.9-173.4-62.4132-0.6111.1P253 S254 I260 K261P253-R257 PolarHBondContact O-N 3.11Å; S254-R257 PolarHBondContact O-N 3.31Å; R257-I260 PolarHBondContact O-N 3.5Å; R257-K261 WeakPolarHBondContact O-CB 3.29Å; R257-K261 PolarHBondContact O-N 3.09Å
258S83.9Confident82.1Confident58 Ų5868.5 Ų68.541%0.40635%0.345SS..Hα-helixtrans-58.4-48.7173.5-65.70000111S254 S255 L256 I260 K261 F262S254-S258 PolarHBondContact O-N 3.05Å; S254-S258 PolarHBondContact O-OG 2.88Å; S255-S258 PolarHBondContact O-N 3.01Å; L256-S258 VanDerWaalsContact C-N 3.33Å; L256-S258 PolarHBondContact O-N 3.13Å; S258-I260 PolarHBondContact O-N 3.1Å; S258-K261 PolarHBondContact O-N 3.41Å; S258-F262 WeakPolarHBondContact O-CD2 3.24Å; S258-F262 PolarHBondContact O-N 3.43Å
259H84.5Confident82.4Confident24 Ų2471.5 Ų71.511%0.11137%0.366CS..Hα-helixtrans-55-49.1178167.582.8000112.2C246 S255 L256 K261 F262 R263 H264C246-H259 PolarHBondContact SG-NE2 2.89Å; S255-H259 WeakPolarHBondContact O-CB 3.47Å; S255-H259 PolarHBondContact O-N 3.45Å; L256-H259 WeakPolarHBondContact O-CB 3.43Å; L256-H259 PolarHBondContact O-N 3.28Å; L256-H259 VanDerWaalsContact O-N 3.12Å; H259-K261 PolarHBondContact O-N 2.82Å; H259-F262 PolarHBondContact O-N 3.12Å; H259-R263 WeakPolarHBondContact O-CB 3.46Å; H259-R263 PolarHBondContact O-N 3.05Å; H259-H264 AromaticContact NE2-CD2 3.76Å; H259-H264 AromaticContact NE2-NE2 3.45Å; H259-H264 PolarHBondContact NE2-NE2 2.9Å
260I84.3Confident82.6Confident51 Ų5175.2 Ų75.226%0.26238%0.38SS..Hα-helixtrans-59.7-48.7177.4-65.9169.7000110.5L245 L256 R257 S258 F262 R263 H264 S265L245-I260 HydrophobicContact CD1-CG2 4.4Å; L256-I260 HydrophobicContact CD1-CD1 4.06Å; L256-I260 HydrophobicContact CD1-CG1 4.2Å; L256-I260 HydrophobicContact CD2-CD1 4.49Å; L256-I260 HydrophobicContact CG-CD1 3.94Å; L256-I260 HydrophobicContact CG-CG1 4.47Å; L256-I260 WeakPolarHBondContact O-CG1 2.86Å; L256-I260 PolarHBondContact O-N 2.81Å; R257-I260 PolarHBondContact O-N 3.5Å; S258-I260 PolarHBondContact O-N 3.1Å; I260-F262 VanDerWaalsContact C-N 3.3Å; I260-F262 PolarHBondContact O-N 2.82Å; I260-R263 PolarHBondContact O-N 3.38Å; I260-H264 HydrophobicContact CG2-CB 4.32Å; I260-H264 CarbonylContact O-C 3.5Å; I260-H264 WeakPolarHBondContact O-CA 3.37Å; I260-H264 WeakPolarHBondContact O-CB 3.49Å; I260-H264 PolarHBondContact O-N 3.2Å; I260-S265 PolarHBondContact O-N 2.99Å
261K83.6Confident83Confident73 Ų7378.3 Ų78.332%0.31740%0.402SS..Hα-helixtrans-56.6-42.3176.7-172.5-178.9-179.4-174.30112.1R257 S258 H259 S265 K280R257-K261 WeakPolarHBondContact O-CB 3.29Å; R257-K261 PolarHBondContact O-N 3.09Å; S258-K261 PolarHBondContact O-N 3.41Å; H259-K261 PolarHBondContact O-N 2.82Å; K261-S265 WeakPolarHBondContact O-CB 3.37Å; K261-K280 PolarHBondContact NZ-O 3.09Å
262F81.1Confident83.5Confident75 Ų7577 Ų7733%0.32939%0.393SS..Hα-helixtrans-78.5-39.9-177-74.8-62.5000114.7S258 H259 I260 K280 N281S258-F262 WeakPolarHBondContact O-CD2 3.24Å; S258-F262 PolarHBondContact O-N 3.43Å; H259-F262 PolarHBondContact O-N 3.12Å; I260-F262 VanDerWaalsContact C-N 3.3Å; I260-F262 PolarHBondContact O-N 2.82Å; F262-K280 HydrophobicContact CD1-CB 4.16Å; F262-K280 HydrophobicContact CD1-CD 4.24Å; F262-K280 HydrophobicContact CE1-CB 4Å; F262-K280 PolarHBondContact O-NZ 3.49Å; F262-N281 WeakPolarHBondContact CE1-ND2 3.31Å; F262-N281 WeakPolarHBondContact CE1-OD1 3.49Å; F262-N281 WeakPolarHBondContact CZ-ND2 3.42Å; F262-N281 WeakPolarHBondContact CZ-OD1 3.35Å
263R79.4Confident83.6Confident163 Ų16383.8 Ų83.862%0.61542%0.421SS*.Hα-helixtrans-101.1-27.3-167.8-63.2-62-61.7-169.1-2.4113.2H259 I260H259-R263 WeakPolarHBondContact O-CB 3.46Å; H259-R263 PolarHBondContact O-N 3.05Å; I260-R263 PolarHBondContact O-N 3.38Å
264H82.3Confident83.6Confident67 Ų6788.5 Ų88.531%0.3143%0.432SS..THydrogen-bonded Turntrans-118.2-26-172.3-63.1-69.6000113.7L245 C246 H259 I260L245-H264 VanDerWaalsContact CB-CE1 3.48Å; L245-H264 WeakPolarHBondContact CB-CE1 3.46Å; L245-H264 HydrophobicContact CD1-CB 3.45Å; L245-H264 VanDerWaalsContact CD1-CB 3.45Å; L245-H264 PolarHBondContact O-CE1 3.39Å; C246-H264 PolarHBondContact SG-NE2 3.21Å; H259-H264 AromaticContact NE2-CD2 3.76Å; H259-H264 AromaticContact NE2-NE2 3.45Å; H259-H264 PolarHBondContact NE2-NE2 2.9Å; I260-H264 HydrophobicContact CG2-CB 4.32Å; I260-H264 CarbonylContact O-C 3.5Å; I260-H264 WeakPolarHBondContact O-CA 3.37Å; I260-H264 WeakPolarHBondContact O-CB 3.49Å; I260-H264 PolarHBondContact O-N 3.2Å
265S81.4Confident83.7Confident27 Ų2787.5 Ų87.519%0.18942%0.424CS..  trans-87.2140170.1174.60000111I260 K261 E267 K280I260-S265 PolarHBondContact O-N 2.99Å; K261-S265 WeakPolarHBondContact O-CB 3.37Å; S265-E267 WeakPolarHBondContact OG-CB 3.43Å; S265-E267 WeakPolarHBondContact OG-CG 3.43Å; S265-E267 PolarHBondContact OG-N 3.32Å; S265-E267 VanDerWaalsContact OG-N 3.12Å; S265-K280 WeakPolarHBondContact O-CE 3.4Å; S265-K280 PolarHBondContact O-NZ 2.88Å
266N78.8Confident83.9Confident147 Ų14794.5 Ų94.579%0.78645%0.451SS*.  trans-96.43.3171.4-77-26.2000113.2K268N266-K268 PolarHBondContact O-N 2.86Å
267E81Confident83.9Confident138 Ų13898 Ų9865%0.64546%0.464SS*.  trans-66.5128.1-179.6-65.1172.5172.200110.9S265 P269 K280S265-E267 WeakPolarHBondContact OG-CB 3.43Å; S265-E267 WeakPolarHBondContact OG-CG 3.43Å; S265-E267 PolarHBondContact OG-N 3.32Å; S265-E267 VanDerWaalsContact OG-N 3.12Å; E267-P269 VanDerWaalsContact C-CD 3.43Å; E267-P269 WeakPolarHBondContact O-CD 3.46Å; E267-K280 WeakPolarHBondContact O-CG 3.37Å
268K82.4Confident84Confident121 Ų12191.4 Ų91.453%0.52644%0.444SS..  trans-120.974.7176.9-69.6169.3168-166.90108.8N266 Y270 S278 C279 K280N266-K268 PolarHBondContact O-N 2.86Å; K268-Y270 PolarHBondContact O-N 3.23Å; K268-Y270 VanDerWaalsContact O-N 3.17Å; K268-S278 WeakPolarHBondContact CD-O 3.42Å; K268-C279 CarbonylContact C-O 3.57Å; K268-C279 WeakPolarHBondContact CA-O 3.34Å; K268-K280 HydrophobicContact CG-CG 4.24Å
269P83.3Confident84Confident81 Ų8189 Ų8953%0.52643%0.427SS..  trans-68.8-11.8-172.325.5-33.8000114.1E267E267-P269 VanDerWaalsContact C-CD 3.43Å; E267-P269 WeakPolarHBondContact O-CD 3.46Å
270Y84.4Confident83.9Confident82 Ų8289.6 Ų89.632%0.32243%0.43SS..EExtended strand (participates in β ladder)trans-109.7102.8-178.1-56.4-77.2000110K268 S278 C279 K280 L282K268-Y270 PolarHBondContact O-N 3.23Å; K268-Y270 VanDerWaalsContact O-N 3.17Å; Y270-S278 CarbonylContact O-C 3.57Å; Y270-S278 VanDerWaalsContact O-CA 3.29Å; Y270-S278 WeakPolarHBondContact O-CA 3.48Å; Y270-C279 PolarHBondContact N-O 2.9Å; Y270-C279 PolarHBondContact O-N 3.39Å; Y270-K280 WeakPolarHBondContact CE2-O 3.42Å; Y270-L282 HydrophobicContact CD1-CD1 4.12Å; Y270-L282 HydrophobicContact CE1-CB 4.28Å; Y270-L282 HydrophobicContact CE1-CD1 4.24Å
271S88.1Confident83.9Confident73 Ų7389 Ų8951%0.5143%0.427SS..EExtended strand (participates in β ladder)trans-94.6147.7174.250.50000111.7S278S271-S278 WeakPolarHBondContact CB-OG 3.46Å
272C88.8Confident83.9Confident11 Ų1190.2 Ų90.27%0.07444%0.436CS..  trans-77.9139.4167.9-175.30000110Y274 Y277 L285 H288 H292C272-Y274 VanDerWaalsContact C-N 3.35Å; C272-Y274 PolarHBondContact SG-N 3.48Å; C272-Y274 VanDerWaalsContact SG-N 3.38Å; C272-Y277 WeakPolarHBondContact CB-O 3.26Å; C272-Y277 PolarHBondContact N-O 2.61Å; C272-L285 HydrophobicContact CB-CD1 4.06Å; C272-H288 PolarHBondContact SG-NE2 3.48Å; C272-H288 VanDerWaalsContact SG-NE2 3.4Å; C272-H292 PolarHBondContact SG-NE2 3.48Å; C272-H292 VanDerWaalsContact SG-NE2 3.44Å
273E85.3Confident84.1Confident178 Ų17892 Ų9283%0.83245%0.448SS*.SBendtrans-79.3-21.6176.2-65.1176.2-175.200112.4
274Y83.7Confident84.3Confident164 Ų16487 Ų8764%0.64343%0.434SS*.SBendtrans-96.6-9.9-175.5-53.7-70.9000113.9C272 L289C272-Y274 VanDerWaalsContact C-N 3.35Å; C272-Y274 PolarHBondContact SG-N 3.48Å; C272-Y274 VanDerWaalsContact SG-N 3.38Å; Y274-L289 HydrophobicContact CD2-CD2 3.88Å; Y274-L289 HydrophobicContact CE2-CD2 4.05Å
275C87.6Confident84.5Confident51 Ų5184.8 Ų84.835%0.34542%0.424SS..SBendtrans-161.4173.2177.270.40000112.2Y277 H288C275-Y277 PolarHBondContact O-N 2.67Å; C275-Y277 WeakPolarHBondContact SG-CB 3.2Å; C275-H288 VanDerWaalsContact SG-CE1 3.56Å; C275-H288 PolarHBondContact SG-NE2 2.66Å
276E87.6Confident84.6Confident199 Ų19991.7 Ų91.793%0.9345%0.446SS*.SBendtrans-72.18.9-179.5-58-174.7163.400114.9S278E276-S278 PolarHBondContact O-N 3.09Å
277Y85.1Confident84.7Confident100 Ų10090.7 Ų90.739%0.39244%0.435SS..  trans-74.9123.9-178.8-178.6-99.2000111.7C272 C275 C279 H288C272-Y277 WeakPolarHBondContact CB-O 3.26Å; C272-Y277 PolarHBondContact N-O 2.61Å; C275-Y277 PolarHBondContact O-N 2.67Å; C275-Y277 WeakPolarHBondContact SG-CB 3.2Å; Y277-C279 HydrophobicContact CE1-CB 3.81Å; Y277-H288 HydrophobicContact CD1-CB 3.91Å; Y277-H288 AromaticContact CD1-CD2 3.45Å; Y277-H288 VanDerWaalsContact CD1-CD2 3.45Å; Y277-H288 WeakPolarHBondContact CD1-CD2 3.3Å; Y277-H288 AromaticContact CD1-CE1 3.8Å; Y277-H288 AromaticContact CD1-CG 3.32Å; Y277-H288 AromaticContact CD1-ND1 3.56Å; Y277-H288 AromaticContact CD1-NE2 3.75Å; Y277-H288 HydrophobicContact CE1-CB 3.66Å; Y277-H288 AromaticContact CE1-CG 3.6Å; Y277-H288 AromaticContact CE1-ND1 3.95Å; Y277-H288 AromaticContact CG-CE1 3.72Å; Y277-H288 AromaticContact CG-ND1 3.78Å; Y277-H288 AromaticContact CG-NE2 3.92Å
278S86.6Confident84.9Confident37 Ų3785.5 Ų85.526%0.25941%0.41SS..EExtended strand (participates in β ladder)trans-126.6143.5173-53.80000111.8K268 Y270 S271 E276K268-S278 WeakPolarHBondContact CD-O 3.42Å; Y270-S278 CarbonylContact O-C 3.57Å; Y270-S278 VanDerWaalsContact O-CA 3.29Å; Y270-S278 WeakPolarHBondContact O-CA 3.48Å; S271-S278 WeakPolarHBondContact CB-OG 3.46Å; E276-S278 PolarHBondContact O-N 3.09Å
279C84.4Confident84.9Confident7 Ų782.9 Ų82.95%0.04740%0.401CS..EExtended strand (participates in β ladder)trans-138.3170.7-175.768.10000113.2K268 Y270 Y277 N281 D284 L285K268-C279 CarbonylContact C-O 3.57Å; K268-C279 WeakPolarHBondContact CA-O 3.34Å; Y270-C279 PolarHBondContact N-O 2.9Å; Y270-C279 PolarHBondContact O-N 3.39Å; Y277-C279 HydrophobicContact CE1-CB 3.81Å; C279-N281 PolarHBondContact SG-O 3.44Å; C279-D284 HydrophobicContact CB-CB 4.33Å; C279-L285 PolarHBondContact SG-N 3.27Å; C279-L285 VanDerWaalsContact SG-N 3.35Å
280K82.3Confident84.6Confident37 Ų3783.1 Ų83.116%0.16140%0.398CS..SBendtrans-88.8-13-173-53.8-167.6-178.5178.80113.7K261 F262 S265 E267 K268 Y270K261-K280 PolarHBondContact NZ-O 3.09Å; F262-K280 HydrophobicContact CD1-CB 4.16Å; F262-K280 HydrophobicContact CD1-CD 4.24Å; F262-K280 HydrophobicContact CE1-CB 4Å; F262-K280 PolarHBondContact O-NZ 3.49Å; S265-K280 WeakPolarHBondContact O-CE 3.4Å; S265-K280 PolarHBondContact O-NZ 2.88Å; E267-K280 WeakPolarHBondContact O-CG 3.37Å; K268-K280 HydrophobicContact CG-CG 4.24Å; Y270-K280 WeakPolarHBondContact CE2-O 3.42Å
281N84.1Confident84.2Confident38 Ų3883.2 Ų83.220%0.20341%0.407CS..  trans-136.7146.2-174.2-64.6-18.8000113.2F262 C279 I283 D284 L285F262-N281 WeakPolarHBondContact CE1-ND2 3.31Å; F262-N281 WeakPolarHBondContact CE1-OD1 3.49Å; F262-N281 WeakPolarHBondContact CZ-ND2 3.42Å; F262-N281 WeakPolarHBondContact CZ-OD1 3.35Å; C279-N281 PolarHBondContact SG-O 3.44Å; N281-I283 VanDerWaalsContact C-N 3.32Å; N281-I283 PolarHBondContact O-N 3.43Å; N281-D284 HydrophobicContact CB-CB 4.3Å; N281-D284 WeakPolarHBondContact CB-OD2 3.45Å; N281-D284 PolarHBondContact ND2-OD2 3.08Å; N281-D284 PolarHBondContact O-N 2.94Å; N281-L285 PolarHBondContact O-N 3.26Å; N281-L285 VanDerWaalsContact O-N 3.11Å
282L83.6Confident83.7Confident98 Ų9883.2 Ų83.251%0.51340%0.399SS..Hα-helixtrans-62.3-35.6171.5-168.466.7000113.5Y270 D284 L285 R286Y270-L282 HydrophobicContact CD1-CD1 4.12Å; Y270-L282 HydrophobicContact CE1-CB 4.28Å; Y270-L282 HydrophobicContact CE1-CD1 4.24Å; L282-D284 VanDerWaalsContact C-N 3.32Å; L282-D284 PolarHBondContact O-N 3.23Å; L282-L285 HydrophobicContact CD1-CD2 4.49Å; L282-L285 PolarHBondContact O-N 3.42Å; L282-R286 PolarHBondContact O-N 3.35Å
283I85.6Confident82.7Confident114 Ų11485.8 Ų85.859%0.58542%0.418SS*.Hα-helixtrans-64.5-39.9179.2-60.3172000111N281 R286 K287N281-I283 VanDerWaalsContact C-N 3.32Å; N281-I283 PolarHBondContact O-N 3.43Å; I283-R286 PolarHBondContact O-N 3.04Å; I283-K287 WeakPolarHBondContact O-CG 3.36Å; I283-K287 PolarHBondContact O-N 3.28Å; I283-K287 VanDerWaalsContact O-N 3.1Å
284D84.3Confident81.6Confident58 Ų5885 Ų8531%0.3142%0.417SS..Hα-helixtrans-73.5-33.9179.5-62.2-38.5000110.7C279 N281 L282 H288C279-D284 HydrophobicContact CB-CB 4.33Å; N281-D284 HydrophobicContact CB-CB 4.3Å; N281-D284 WeakPolarHBondContact CB-OD2 3.45Å; N281-D284 PolarHBondContact ND2-OD2 3.08Å; N281-D284 PolarHBondContact O-N 2.94Å; L282-D284 VanDerWaalsContact C-N 3.32Å; L282-D284 PolarHBondContact O-N 3.23Å; D284-H288 WeakPolarHBondContact O-CB 3.44Å; D284-H288 PolarHBondContact O-N 3.22Å
285L86.1Confident80.7Confident20 Ų2082.5 Ų82.511%0.10542%0.415CS..Hα-helixtrans-61.9-47.8170-17860.2000110.9C272 C279 N281 L282 K287 H288 L289C272-L285 HydrophobicContact CB-CD1 4.06Å; C279-L285 PolarHBondContact SG-N 3.27Å; C279-L285 VanDerWaalsContact SG-N 3.35Å; N281-L285 PolarHBondContact O-N 3.26Å; N281-L285 VanDerWaalsContact O-N 3.11Å; L282-L285 HydrophobicContact CD1-CD2 4.49Å; L282-L285 PolarHBondContact O-N 3.42Å; L285-K287 PolarHBondContact O-N 2.75Å; L285-H288 CarbonylContact O-C 3.37Å; L285-H288 WeakPolarHBondContact O-CA 3.34Å; L285-H288 WeakPolarHBondContact O-CB 3.27Å; L285-H288 PolarHBondContact O-N 3.23Å; L285-L289 HydrophobicContact CD1-CG 4.38Å; L285-L289 HydrophobicContact CG-CD1 4.27Å; L285-L289 HydrophobicContact CG-CG 4.37Å; L285-L289 WeakPolarHBondContact O-CG 3.38Å; L285-L289 PolarHBondContact O-N 3.17Å
286R84.1Confident79.3Confident171 Ų17181.8 Ų81.865%0.64541%0.41SS*.Hα-helixtrans-58-47.3179.2-175.4170-68.9-168.2-2.8112L282 I283 H288 L289 D290L282-R286 PolarHBondContact O-N 3.35Å; I283-R286 PolarHBondContact O-N 3.04Å; R286-H288 PolarHBondContact O-N 3.16Å; R286-L289 WeakPolarHBondContact O-CB 3.48Å; R286-L289 PolarHBondContact O-N 3.36Å; R286-L289 VanDerWaalsContact O-N 3.11Å; R286-D290 PolarHBondContact O-N 3.03Å; R286-D290 VanDerWaalsContact O-N 3.12Å
287K81.1Confident78.3Confident127 Ų12775.5 Ų75.555%0.55239%0.392SS*.Hα-helixtrans-61.6-32.6174.6-71.1174.5-176169.70113.1I283 L285I283-K287 WeakPolarHBondContact O-CG 3.36Å; I283-K287 PolarHBondContact O-N 3.28Å; I283-K287 VanDerWaalsContact O-N 3.1Å; L285-K287 PolarHBondContact O-N 2.75Å
288H83.8Confident77.7Confident29 Ų2974.4 Ų74.413%0.13439%0.389CS..Hα-helixtrans-71.9-39.1174.517075.3000111.3C272 C275 Y277 D284 L285 R286 D290 T291 H292C272-H288 PolarHBondContact SG-NE2 3.48Å; C272-H288 VanDerWaalsContact SG-NE2 3.4Å; C275-H288 VanDerWaalsContact SG-CE1 3.56Å; C275-H288 PolarHBondContact SG-NE2 2.66Å; Y277-H288 HydrophobicContact CD1-CB 3.91Å; Y277-H288 AromaticContact CD1-CD2 3.45Å; Y277-H288 VanDerWaalsContact CD1-CD2 3.45Å; Y277-H288 WeakPolarHBondContact CD1-CD2 3.3Å; Y277-H288 AromaticContact CD1-CE1 3.8Å; Y277-H288 AromaticContact CD1-CG 3.32Å; Y277-H288 AromaticContact CD1-ND1 3.56Å; Y277-H288 AromaticContact CD1-NE2 3.75Å; Y277-H288 HydrophobicContact CE1-CB 3.66Å; Y277-H288 AromaticContact CE1-CG 3.6Å; Y277-H288 AromaticContact CE1-ND1 3.95Å; Y277-H288 AromaticContact CG-CE1 3.72Å; Y277-H288 AromaticContact CG-ND1 3.78Å; Y277-H288 AromaticContact CG-NE2 3.92Å; D284-H288 WeakPolarHBondContact O-CB 3.44Å; D284-H288 PolarHBondContact O-N 3.22Å; L285-H288 CarbonylContact O-C 3.37Å; L285-H288 WeakPolarHBondContact O-CA 3.34Å; L285-H288 WeakPolarHBondContact O-CB 3.27Å; L285-H288 PolarHBondContact O-N 3.23Å; R286-H288 PolarHBondContact O-N 3.16Å; H288-D290 PolarHBondContact O-N 3.28Å; H288-T291 WeakPolarHBondContact O-CA 3.36Å; H288-T291 VanDerWaalsContact O-CB 3.31Å; H288-T291 WeakPolarHBondContact O-CB 3.34Å; H288-T291 PolarHBondContact O-N 3.35Å; H288-T291 PolarHBondContact O-OG1 3.27Å; H288-H292 AromaticContact CD2-NE2 3.98Å; H288-H292 AromaticContact CE1-NE2 3.63Å; H288-H292 AromaticContact NE2-CD2 3.72Å; H288-H292 AromaticContact NE2-NE2 3.09Å; H288-H292 PolarHBondContact NE2-NE2 3.46Å
289L82.3Confident77.4Confident65 Ų6580.8 Ų80.834%0.3441%0.408SS..Hα-helixtrans-60.2-34.2174.8-67173.7000111.9Y274 L285 R286 T291 H292Y274-L289 HydrophobicContact CD2-CD2 3.88Å; Y274-L289 HydrophobicContact CE2-CD2 4.05Å; L285-L289 HydrophobicContact CD1-CG 4.38Å; L285-L289 HydrophobicContact CG-CD1 4.27Å; L285-L289 HydrophobicContact CG-CG 4.37Å; L285-L289 WeakPolarHBondContact O-CG 3.38Å; L285-L289 PolarHBondContact O-N 3.17Å; R286-L289 WeakPolarHBondContact O-CB 3.48Å; R286-L289 PolarHBondContact O-N 3.36Å; R286-L289 VanDerWaalsContact O-N 3.11Å; L289-T291 PolarHBondContact O-N 2.93Å; L289-T291 VanDerWaalsContact O-N 3.08Å; L289-H292 PolarHBondContact O-N 2.98Å
290D77.6Confident77.3Confident87 Ų8781.3 Ų81.347%0.46541%0.411SS..Hα-helixtrans-58.5-22172-60-26000112.9R286 H288 S293R286-D290 PolarHBondContact O-N 3.03Å; R286-D290 VanDerWaalsContact O-N 3.12Å; H288-D290 PolarHBondContact O-N 3.28Å; D290-S293 PolarHBondContact O-N 3.18Å
291T76.4Confident77.2Confident83 Ų8387.1 Ų87.151%0.50944%0.444SS..Hα-helixtrans-78.1-21.7176.771.30000113.8H288 L289 S293H288-T291 WeakPolarHBondContact O-CA 3.36Å; H288-T291 VanDerWaalsContact O-CB 3.31Å; H288-T291 WeakPolarHBondContact O-CB 3.34Å; H288-T291 PolarHBondContact O-N 3.35Å; H288-T291 PolarHBondContact O-OG1 3.27Å; L289-T291 PolarHBondContact O-N 2.93Å; L289-T291 VanDerWaalsContact O-N 3.08Å; T291-S293 VanDerWaalsContact C-N 3.33Å
292H77.3Confident77.1Confident73 Ų7387.3 Ų87.334%0.33845%0.446SS..Hα-helixtrans-81.3-16.2172.4-68.4-72000112.2C272 H288 L289 I294C272-H292 PolarHBondContact SG-NE2 3.48Å; C272-H292 VanDerWaalsContact SG-NE2 3.44Å; H288-H292 AromaticContact CD2-NE2 3.98Å; H288-H292 AromaticContact CE1-NE2 3.63Å; H288-H292 AromaticContact NE2-CD2 3.72Å; H288-H292 AromaticContact NE2-NE2 3.09Å; H288-H292 PolarHBondContact NE2-NE2 3.46Å; L289-H292 PolarHBondContact O-N 2.98Å; H292-I294 PolarHBondContact O-N 3Å
293S69Low76.8Confident66 Ų6688.8 Ų88.846%0.46246%0.462SS..  trans-71.4123.4172.5-170.90000110.7D290 T291 D295D290-S293 PolarHBondContact O-N 3.18Å; T291-S293 VanDerWaalsContact C-N 3.33Å; S293-D295 VanDerWaalsContact C-N 3.29Å; S293-D295 PolarHBondContact O-N 3.3Å
294I61.4Low76.2Confident160 Ų16087.7 Ų87.782%0.82148%0.479SS*.  trans-76.3-17.3-174.1-63.9170.7000111.7H292 P296H292-I294 PolarHBondContact O-N 3Å; I294-P296 WeakPolarHBondContact O-CD 3.46Å
295D64.1Low76.1Confident112 Ų11286.4 Ų86.460%0.59947%0.474SS*.SBendtrans-91.9117.7-174-160.65.3000112.8S293 A297S293-D295 VanDerWaalsContact C-N 3.29Å; S293-D295 PolarHBondContact O-N 3.3Å; D295-A297 PolarHBondContact O-N 2.86Å
296P59.5Low75.8Confident36 Ų3689.1 Ų89.123%0.23451%0.507CS..  trans-6996169.227.2-31.4000110.2I294 F298I294-P296 WeakPolarHBondContact O-CD 3.46Å; P296-F298 PolarHBondContact O-N 3.5Å
297A66.2Low75.7Confident68 Ų6884.8 Ų84.856%0.56249%0.493SS*.  trans-60.4-16.2-174.400000115.8D295D295-A297 PolarHBondContact O-N 2.86Å
298F72.3Confident75.6Confident76 Ų7682 Ų8233%0.33349%0.487SS..EExtended strand (participates in β ladder)trans-128.7122.1-176.3-54.7-81.8000111.7P296 T308 S309 P312 M315P296-F298 PolarHBondContact O-N 3.5Å; F298-T308 CarbonylContact O-C 3.5Å; F298-T308 WeakPolarHBondContact O-CA 3.41Å; F298-S309 WeakPolarHBondContact CB-O 3.38Å; F298-S309 PolarHBondContact N-O 2.98Å; F298-S309 PolarHBondContact O-N 3.45Å; F298-P312 HydrophobicContact CE1-CB 4.49Å; F298-P312 HydrophobicContact CE1-CG 4.06Å; F298-P312 HydrophobicContact CE2-CG 3.82Å; F298-P312 HydrophobicContact CZ-CB 4.41Å; F298-P312 HydrophobicContact CZ-CG 3.55Å; F298-M315 HydrophobicContact CB-CB 4.35Å; F298-M315 HydrophobicContact CB-CE 4.04Å; F298-M315 HydrophobicContact CB-CG 4.46Å; F298-M315 WeakPolarHBondContact O-CE 3.28Å
299R80.6Confident75.3Confident172 Ų17281.3 Ų81.365%0.64949%0.485SS*.EExtended strand (participates in β ladder)trans-109.7150.3170.5-60.8-168.9176.51561.6109.7T308 M315R299-T308 HydrophobicContact CG-CG2 3.95Å; R299-M315 VanDerWaalsContact C-CE 3.41Å
300C83Confident74.8Confident17 Ų1785.5 Ų85.512%0.11550%0.497CS..  trans-71.8129.1174.7-173.30000109.6V302 C305 F307 M315 H323C300-V302 PolarHBondContact O-N 3.42Å; C300-C305 HydrophobicContact CB-CB 4.23Å; C300-F307 HydrophobicContact CB-CB 4.33Å; C300-F307 PolarHBondContact N-O 3.01Å; C300-M315 HydrophobicContact CB-CE 4.39Å; C300-M315 HydrophobicContact CB-SD 3.99Å; C300-H323 PolarHBondContact SG-NE2 3.21Å; C300-H323 VanDerWaalsContact SG-NE2 3.36Å
301D79.4Confident74.4Confident160 Ų16084.4 Ų84.486%0.85649%0.493SS*.  trans-80.5-2.9-178.3-60.4-38.1000113.2
302V82.2Confident74.3Confident41 Ų4184.3 Ų84.325%0.24849%0.494CS..SBendtrans-82.1124.2-178.2-1770000110.7C300 G304 C305 H323C300-V302 PolarHBondContact O-N 3.42Å; V302-G304 PolarHBondContact O-N 3.32Å; V302-C305 HydrophobicContact CB-CB 4.37Å; V302-C305 WeakPolarHBondContact O-CB 3.28Å; V302-C305 PolarHBondContact O-N 2.92Å; V302-C305 VanDerWaalsContact O-N 3.08Å; V302-H323 HydrophobicContact CG2-CB 4.09Å
303P76.8Confident74.2Confident129 Ų12983 Ų8384%0.83850%0.5SS*.THydrogen-bonded Turntrans-60.9126.6-178.121.8-31.3000111.5
304G73.8Confident74.7Confident91 Ų9182.6 Ų82.694%0.93850%0.495SS*.THydrogen-bonded Turntrans94-4.7-177.300000114.9V302V302-G304 PolarHBondContact O-N 3.32Å
305C80.9Confident75.6Confident31 Ų3176.1 Ų76.121%0.20946%0.462CS..  trans-99.3110.8175.9-163.90000112.1C300 V302 F307 H318 H323C300-C305 HydrophobicContact CB-CB 4.23Å; V302-C305 HydrophobicContact CB-CB 4.37Å; V302-C305 WeakPolarHBondContact O-CB 3.28Å; V302-C305 PolarHBondContact O-N 2.92Å; V302-C305 VanDerWaalsContact O-N 3.08Å; C305-F307 PolarHBondContact O-N 3.29Å; C305-H318 PolarHBondContact SG-CE1 3.17Å; C305-H318 PolarHBondContact SG-NE2 3.09Å; C305-H323 PolarHBondContact SG-NE2 2.86Å; C305-H323 VanDerWaalsContact SG-NE2 3.36Å
306G81.1Confident76.3Confident78 Ų7877.3 Ų77.380%0.80446%0.462SS*.  trans-81.713.4178.200000115.2T308G306-T308 PolarHBondContact O-N 3.47Å
307F81.4Confident77Confident79 Ų7979.4 Ų79.435%0.34647%0.47SS..  trans-72.6130.8-174.6-174-99.2000111.6C300 C305 M315 H318C300-F307 HydrophobicContact CB-CB 4.33Å; C300-F307 PolarHBondContact N-O 3.01Å; C305-F307 PolarHBondContact O-N 3.29Å; F307-M315 HydrophobicContact CD1-CE 3.81Å; F307-M315 HydrophobicContact CD1-SD 3.94Å; F307-M315 HydrophobicContact CE1-CE 4.19Å; F307-M315 HydrophobicContact CE1-SD 4.32Å; F307-H318 VanDerWaalsContact CB-CE1 3.48Å; F307-H318 WeakPolarHBondContact CB-CE1 3.49Å; F307-H318 WeakPolarHBondContact CB-NE2 3.47Å; F307-H318 HydrophobicContact CD1-CB 3.7Å; F307-H318 AromaticContact CD1-CD2 3.42Å; F307-H318 VanDerWaalsContact CD1-CD2 3.42Å; F307-H318 WeakPolarHBondContact CD1-CD2 3.28Å; F307-H318 AromaticContact CD1-CG 3.3Å; F307-H318 AromaticContact CD1-ND1 3.75Å; F307-H318 AromaticContact CD1-NE2 3.92Å; F307-H318 AromaticContact CD2-ND1 3.9Å; F307-H318 HydrophobicContact CE1-CB 3.49Å; F307-H318 VanDerWaalsContact CE1-CB 3.49Å; F307-H318 AromaticContact CE1-CG 3.66Å; F307-H318 HydrophobicContact CG-CB 4.4Å; F307-H318 AromaticContact CG-CD2 3.79Å; F307-H318 AromaticContact CG-CE1 3.67Å; F307-H318 AromaticContact CG-CG 3.65Å; F307-H318 AromaticContact CG-ND1 3.57Å; F307-H318 AromaticContact CG-NE2 3.81Å; F307-H318 HydrophobicContact CZ-CB 4.06Å
308T79.3Confident77.7Confident69 Ų6977.3 Ų77.342%0.42345%0.448SS..EExtended strand (participates in β ladder)trans-126.1148176.364.20000110.2F298 R299 G306F298-T308 CarbonylContact O-C 3.5Å; F298-T308 WeakPolarHBondContact O-CA 3.41Å; R299-T308 HydrophobicContact CG-CG2 3.95Å; G306-T308 PolarHBondContact O-N 3.47Å
309S77.8Confident78.1Confident15 Ų1577 Ų7711%0.10545%0.448CS..EExtended strand (participates in β ladder)trans-143.5155.1177.8-173.40000112.7F298 T311 T314F298-S309 WeakPolarHBondContact CB-O 3.38Å; F298-S309 PolarHBondContact N-O 2.98Å; F298-S309 PolarHBondContact O-N 3.45Å; S309-T311 PolarHBondContact OG-N 2.81Å; S309-T311 PolarHBondContact OG-O 3Å; S309-T314 PolarHBondContact OG-OG1 3.32Å
310R71Confident77.9Confident152 Ų15271.9 Ų71.957%0.57443%0.431SS*.SBendtrans-88.6-14.8173.6-61.7-176.5176.4881.1113.4
311T70Confident77.5Confident64 Ų6475.2 Ų75.239%0.39344%0.444SS..SBendtrans-128.3139.4-178.253.60000112.4S309 G313 T314 M315S309-T311 PolarHBondContact OG-N 2.81Å; S309-T311 PolarHBondContact OG-O 3Å; T311-G313 PolarHBondContact O-N 3.28Å; T311-T314 PolarHBondContact O-N 3.16Å; T311-T314 PolarHBondContact O-OG1 3.3Å; T311-T314 WeakPolarHBondContact OG1-CG2 3.39Å; T311-T314 PolarHBondContact OG1-OG1 2.73Å; T311-M315 PolarHBondContact O-N 3.12Å
312P73.9Confident77.3Confident81 Ų8174 Ų7453%0.52643%0.433SS..Hα-helixtrans-58.6-37178.1-18.625.5000112.7F298 T314 M315 K316F298-P312 HydrophobicContact CE1-CB 4.49Å; F298-P312 HydrophobicContact CE1-CG 4.06Å; F298-P312 HydrophobicContact CE2-CG 3.82Å; F298-P312 HydrophobicContact CZ-CB 4.41Å; F298-P312 HydrophobicContact CZ-CG 3.55Å; P312-T314 PolarHBondContact O-N 3.09Å; P312-M315 PolarHBondContact O-N 3.45Å; P312-K316 WeakPolarHBondContact O-CB 3.19Å; P312-K316 PolarHBondContact O-N 2.86Å
313G75.6Confident77.2Confident45 Ų4575.1 Ų75.146%0.46444%0.435SS..Hα-helixtrans-65.6-35.2-176.200000113.6T311 I317T311-G313 PolarHBondContact O-N 3.28Å; G313-I317 WeakPolarHBondContact O-CD1 3.37Å; G313-I317 VanDerWaalsContact O-CG1 3.26Å; G313-I317 WeakPolarHBondContact O-CG1 3.41Å; G313-I317 PolarHBondContact O-N 3.22Å
314T77.9Confident77Confident59 Ų5973.4 Ų73.436%0.36242%0.416SS..Hα-helixtrans-78.8-33.7177.650.70000111.7S309 T311 P312 I317 H318S309-T314 PolarHBondContact OG-OG1 3.32Å; T311-T314 PolarHBondContact O-N 3.16Å; T311-T314 PolarHBondContact O-OG1 3.3Å; T311-T314 WeakPolarHBondContact OG1-CG2 3.39Å; T311-T314 PolarHBondContact OG1-OG1 2.73Å; P312-T314 PolarHBondContact O-N 3.09Å; T314-I317 PolarHBondContact O-N 3.4Å; T314-H318 PolarHBondContact O-N 3.02Å
315M80.9Confident76.6Confident24 Ų2472.2 Ų72.212%0.11840%0.404CS..Hα-helixtrans-61.1-45.1170.3-175.755.87100111.3F298 R299 C300 F307 T311 P312 I317 H318 H319F298-M315 HydrophobicContact CB-CB 4.35Å; F298-M315 HydrophobicContact CB-CE 4.04Å; F298-M315 HydrophobicContact CB-CG 4.46Å; F298-M315 WeakPolarHBondContact O-CE 3.28Å; R299-M315 VanDerWaalsContact C-CE 3.41Å; C300-M315 HydrophobicContact CB-CE 4.39Å; C300-M315 HydrophobicContact CB-SD 3.99Å; F307-M315 HydrophobicContact CD1-CE 3.81Å; F307-M315 HydrophobicContact CD1-SD 3.94Å; F307-M315 HydrophobicContact CE1-CE 4.19Å; F307-M315 HydrophobicContact CE1-SD 4.32Å; T311-M315 PolarHBondContact O-N 3.12Å; P312-M315 PolarHBondContact O-N 3.45Å; M315-I317 VanDerWaalsContact C-N 3.33Å; M315-I317 PolarHBondContact O-N 2.88Å; M315-H318 WeakPolarHBondContact O-CB 3.28Å; M315-H318 PolarHBondContact O-N 3.35Å; M315-H318 VanDerWaalsContact O-N 3.16Å; M315-H319 PolarHBondContact O-N 3.4Å
316K78.4Confident75.6Confident137 Ų13775.2 Ų75.260%0.59642%0.421SS*.Hα-helixtrans-58.9-42.4175.4-173.1173.5-177.1171.20112.6P312 H319 Q320P312-K316 WeakPolarHBondContact O-CB 3.19Å; P312-K316 PolarHBondContact O-N 2.86Å; K316-H319 PolarHBondContact O-N 3.44Å; K316-Q320 WeakPolarHBondContact O-CB 3.49Å; K316-Q320 VanDerWaalsContact O-CG 3.3Å; K316-Q320 WeakPolarHBondContact O-CG 3.46Å; K316-Q320 PolarHBondContact O-N 3.23Å
317I75.2Confident74.6Confident79 Ų7974.8 Ų74.841%0.40540%0.397SS..Hα-helixtrans-65-40.9176.6-68.1163.4000111.1G313 T314 M315 K321G313-I317 WeakPolarHBondContact O-CD1 3.37Å; G313-I317 VanDerWaalsContact O-CG1 3.26Å; G313-I317 WeakPolarHBondContact O-CG1 3.41Å; G313-I317 PolarHBondContact O-N 3.22Å; T314-I317 PolarHBondContact O-N 3.4Å; M315-I317 VanDerWaalsContact C-N 3.33Å; M315-I317 PolarHBondContact O-N 2.88Å; I317-K321 HydrophobicContact CG2-CD 4Å; I317-K321 WeakPolarHBondContact O-CB 3.3Å; I317-K321 VanDerWaalsContact O-CG 3.31Å; I317-K321 WeakPolarHBondContact O-CG 3.38Å; I317-K321 PolarHBondContact O-N 3.48Å; I317-K321 VanDerWaalsContact O-N 3.17Å
318H80.6Confident73.8Confident24 Ų2476.5 Ų76.511%0.11141%0.414CS..Hα-helixtrans-62-48.6176.2167.176000111C305 F307 T314 M315 Q320 K321 E322 H323C305-H318 PolarHBondContact SG-CE1 3.17Å; C305-H318 PolarHBondContact SG-NE2 3.09Å; F307-H318 VanDerWaalsContact CB-CE1 3.48Å; F307-H318 WeakPolarHBondContact CB-CE1 3.49Å; F307-H318 WeakPolarHBondContact CB-NE2 3.47Å; F307-H318 HydrophobicContact CD1-CB 3.7Å; F307-H318 AromaticContact CD1-CD2 3.42Å; F307-H318 VanDerWaalsContact CD1-CD2 3.42Å; F307-H318 WeakPolarHBondContact CD1-CD2 3.28Å; F307-H318 AromaticContact CD1-CG 3.3Å; F307-H318 AromaticContact CD1-ND1 3.75Å; F307-H318 AromaticContact CD1-NE2 3.92Å; F307-H318 AromaticContact CD2-ND1 3.9Å; F307-H318 HydrophobicContact CE1-CB 3.49Å; F307-H318 VanDerWaalsContact CE1-CB 3.49Å; F307-H318 AromaticContact CE1-CG 3.66Å; F307-H318 HydrophobicContact CG-CB 4.4Å; F307-H318 AromaticContact CG-CD2 3.79Å; F307-H318 AromaticContact CG-CE1 3.67Å; F307-H318 AromaticContact CG-CG 3.65Å; F307-H318 AromaticContact CG-ND1 3.57Å; F307-H318 AromaticContact CG-NE2 3.81Å; F307-H318 HydrophobicContact CZ-CB 4.06Å; T314-H318 PolarHBondContact O-N 3.02Å; M315-H318 WeakPolarHBondContact O-CB 3.28Å; M315-H318 PolarHBondContact O-N 3.35Å; M315-H318 VanDerWaalsContact O-N 3.16Å; H318-Q320 VanDerWaalsContact C-N 3.34Å; H318-Q320 PolarHBondContact O-N 2.99Å; H318-K321 PolarHBondContact O-N 3.5Å; H318-K321 VanDerWaalsContact O-N 3.14Å; H318-E322 PolarHBondContact O-N 3.49Å; H318-H323 AromaticContact CE1-NE2 3.93Å; H318-H323 AromaticContact NE2-CD2 3.72Å; H318-H323 AromaticContact NE2-NE2 3.22Å; H318-H323 PolarHBondContact NE2-NE2 3.4Å
319H80.6Confident73.3Confident70 Ų7074.6 Ų74.632%0.32441%0.406SS..Hα-helixtrans-58.4-45.2178.9-164.7-129.6000112.5M315 K316 K321 H323 E324M315-H319 PolarHBondContact O-N 3.4Å; K316-H319 PolarHBondContact O-N 3.44Å; H319-K321 VanDerWaalsContact C-N 3.3Å; H319-K321 PolarHBondContact O-N 3.38Å; H319-H323 AromaticContact CD2-CD2 3.69Å; H319-H323 AromaticContact CD2-CG 4Å; H319-H323 WeakPolarHBondContact O-CB 3.33Å; H319-H323 PolarHBondContact O-N 3Å; H319-H323 VanDerWaalsContact O-N 3.1Å; H319-E324 IonicContact CE1-OE1 2.66Å; H319-E324 PolarHBondContact CE1-OE1 3.31Å; H319-E324 VanDerWaalsContact CE1-OE1 3.25Å; H319-E324 IonicContact CG-OE1 2.7Å; H319-E324 IonicContact ND1-OE1 3.08Å; H319-E324 PolarHBondContact ND1-OE1 3.38Å; H319-E324 PolarHBondContact O-N 3.16Å
320Q76.6Confident73.4Confident65 Ų6579.9 Ų79.930%0.30442%0.424SS..Hα-helixtrans-63.6-31.8177.8-75.5-178.7-11.600114.1K316 H318 E324K316-Q320 WeakPolarHBondContact O-CB 3.49Å; K316-Q320 VanDerWaalsContact O-CG 3.3Å; K316-Q320 WeakPolarHBondContact O-CG 3.46Å; K316-Q320 PolarHBondContact O-N 3.23Å; H318-Q320 VanDerWaalsContact C-N 3.34Å; H318-Q320 PolarHBondContact O-N 2.99Å; Q320-E324 WeakPolarHBondContact CG-OE2 3.23Å
321K74.8Confident73.7Confident87 Ų8775.4 Ų75.438%0.37841%0.407SS..Hα-helixtrans-85.2-49.7-176.8-77.8179.1172.8-168.60113.2I317 H318 H319 F327I317-K321 HydrophobicContact CG2-CD 4Å; I317-K321 WeakPolarHBondContact O-CB 3.3Å; I317-K321 VanDerWaalsContact O-CG 3.31Å; I317-K321 WeakPolarHBondContact O-CG 3.38Å; I317-K321 PolarHBondContact O-N 3.48Å; I317-K321 VanDerWaalsContact O-N 3.17Å; H318-K321 PolarHBondContact O-N 3.5Å; H318-K321 VanDerWaalsContact O-N 3.14Å; H319-K321 VanDerWaalsContact C-N 3.3Å; H319-K321 PolarHBondContact O-N 3.38Å; K321-F327 HydrophobicContact CD-CE1 4.46Å; K321-F327 HydrophobicContact CD-CZ 4.44Å; K321-F327 HydrophobicContact CG-CB 4.24Å; K321-F327 HydrophobicContact CG-CD1 4.03Å; K321-F327 HydrophobicContact CG-CD2 3.68Å; K321-F327 HydrophobicContact CG-CE1 4.25Å; K321-F327 HydrophobicContact CG-CE2 3.99Å; K321-F327 HydrophobicContact CG-CG 3.72Å; K321-F327 HydrophobicContact CG-CZ 4.27Å
322E75.1Confident74.3Confident134 Ų13474.9 Ų74.963%0.62640%0.399SS*.Hα-helixtrans-93.5-24.9-167.5-55.2-57.9132.900112.2H318H318-E322 PolarHBondContact O-N 3.49Å
323H79.1Confident74.7Confident65 Ų6571.1 Ų71.130%0.30138%0.375SS..THydrogen-bonded Turntrans-117.7-43.8-171.1-58.3-58.2000113.6C300 V302 C305 H318 H319C300-H323 PolarHBondContact SG-NE2 3.21Å; C300-H323 VanDerWaalsContact SG-NE2 3.36Å; V302-H323 HydrophobicContact CG2-CB 4.09Å; C305-H323 PolarHBondContact SG-NE2 2.86Å; C305-H323 VanDerWaalsContact SG-NE2 3.36Å; H318-H323 AromaticContact CE1-NE2 3.93Å; H318-H323 AromaticContact NE2-CD2 3.72Å; H318-H323 AromaticContact NE2-NE2 3.22Å; H318-H323 PolarHBondContact NE2-NE2 3.4Å; H319-H323 AromaticContact CD2-CD2 3.69Å; H319-H323 AromaticContact CD2-CG 4Å; H319-H323 WeakPolarHBondContact O-CB 3.33Å; H319-H323 PolarHBondContact O-N 3Å; H319-H323 VanDerWaalsContact O-N 3.1Å
324E73.8Confident74.9Confident93 Ų9372.5 Ų72.544%0.43537%0.369SS..SBendtrans-84.3-15.8-178.5-63.8173.8-170.900113.4H319 Q320 T326H319-E324 IonicContact CE1-OE1 2.66Å; H319-E324 PolarHBondContact CE1-OE1 3.31Å; H319-E324 VanDerWaalsContact CE1-OE1 3.25Å; H319-E324 IonicContact CG-OE1 2.7Å; H319-E324 IonicContact ND1-OE1 3.08Å; H319-E324 PolarHBondContact ND1-OE1 3.38Å; H319-E324 PolarHBondContact O-N 3.16Å; Q320-E324 WeakPolarHBondContact CG-OE2 3.23Å; E324-T326 WeakPolarHBondContact CB-OG1 3.32Å; E324-T326 PolarHBondContact O-N 2.95Å; E324-T326 PolarHBondContact O-OG1 3.37Å
325G64.3Low74.9Confident66 Ų6673.2 Ų73.268%0.6837%0.373SS*.  trans600.7178.900000115.7F327G325-F327 PolarHBondContact O-N 3.11Å
326T61Low75Confident93 Ų9374.9 Ų74.957%0.57139%0.386SS*.  trans-89.929.8-175.136.70000112.3E324 T328E324-T326 WeakPolarHBondContact CB-OG1 3.32Å; E324-T326 PolarHBondContact O-N 2.95Å; E324-T326 PolarHBondContact O-OG1 3.37Å; T326-T328 PolarHBondContact O-N 2.84Å
327F59.2Low74.9Confident69 Ų6970 Ų7030%0.30338%0.375SS..  trans-84.365.1178.6-158.4-109.7000111.6K321 G325 T341K321-F327 HydrophobicContact CD-CE1 4.46Å; K321-F327 HydrophobicContact CD-CZ 4.44Å; K321-F327 HydrophobicContact CG-CB 4.24Å; K321-F327 HydrophobicContact CG-CD1 4.03Å; K321-F327 HydrophobicContact CG-CD2 3.68Å; K321-F327 HydrophobicContact CG-CE1 4.25Å; K321-F327 HydrophobicContact CG-CE2 3.99Å; K321-F327 HydrophobicContact CG-CG 3.72Å; K321-F327 HydrophobicContact CG-CZ 4.27Å; G325-F327 PolarHBondContact O-N 3.11Å; F327-T341 HydrophobicContact CD1-CG2 3.76Å; F327-T341 HydrophobicContact CE1-CG2 3.49Å; F327-T341 VanDerWaalsContact CE1-CG2 3.49Å; F327-T341 HydrophobicContact CZ-CG2 4.43Å
328T65Low75.2Confident115 Ų11570.2 Ų70.271%0.70638%0.375SS*.  trans-74.1139.917855.10000111.2T326 R330T326-T328 PolarHBondContact O-N 2.84Å; T328-R330 PolarHBondContact O-N 2.84Å
329A68.3Low75.3Confident29 Ų2972 Ų7224%0.2439%0.389CS..  trans-65.799.6177.100000110.8C339 F340 T341 F374A329-C339 HydrophobicContact CB-CB 3.63Å; A329-F340 CarbonylContact C-O 3.47Å; A329-F340 WeakPolarHBondContact CA-O 3.38Å; A329-T341 HydrophobicContact CB-CG2 4.23Å; A329-F374 WeakPolarHBondContact O-CD1 3.41Å; A329-F374 WeakPolarHBondContact O-CE1 3.41Å
330R79.4Confident75.2Confident127 Ų12770.4 Ų70.448%0.47938%0.381SS..  trans-82.9-13.1-174.8-162.9172.5174.1167.9-0.5114T328 F340 E369 M375T328-R330 PolarHBondContact O-N 2.84Å; R330-F340 PolarHBondContact N-O 2.61Å; R330-E369 IonicContact CZ-OE2 3.06Å; R330-E369 IonicContact NH2-OE1 3.81Å; R330-E369 IonicContact NH2-OE2 2.9Å; R330-E369 PolarHBondContact NH2-OE2 3.15Å; R330-M375 HydrophobicContact CG-CG 3.9Å; R330-M375 WeakPolarHBondContact O-CB 2.91Å; R330-M375 PolarHBondContact O-N 3.37Å
331Y77.7Confident75.2Confident57 Ų5770.1 Ų70.122%0.22438%0.384CS..EExtended strand (participates in β ladder)trans-109.2121.9-174.3-66.1-92.2000110.9C339 F340 G343 L346 Y367 M375Y331-C339 CarbonylContact O-C 3.5Å; Y331-C339 VanDerWaalsContact O-CA 3.32Å; Y331-C339 WeakPolarHBondContact O-CA 3.35Å; Y331-F340 WeakPolarHBondContact CB-O 3.46Å; Y331-F340 PolarHBondContact N-O 2.95Å; Y331-F340 PolarHBondContact O-N 3.08Å; Y331-G343 VanDerWaalsContact CE2-N 3.34Å; Y331-L346 HydrophobicContact CD1-CD2 4.44Å; Y331-Y367 HydrophobicContact CD1-CD1 4.21Å; Y331-Y367 HydrophobicContact CD1-CD2 4.07Å; Y331-Y367 AromaticContact CD1-CG 3.91Å; Y331-Y367 HydrophobicContact CD1-CG 3.91Å; Y331-Y367 AromaticContact CE1-CD2 3.77Å; Y331-Y367 HydrophobicContact CE1-CD2 3.77Å; Y331-Y367 HydrophobicContact CE1-CE2 4.44Å; Y331-Y367 AromaticContact CE1-CG 3.87Å; Y331-Y367 HydrophobicContact CE1-CG 3.87Å; Y331-M375 CarbonylContact C-O 3.47Å; Y331-M375 WeakPolarHBondContact CA-O 2.86Å; Y331-M375 HydrophobicContact CD1-CB 3.62Å; Y331-M375 HydrophobicContact CD1-CG 4.44Å; Y331-M375 HydrophobicContact CE1-CB 3.85Å; Y331-M375 HydrophobicContact CE1-CG 4.27Å; Y331-M375 HydrophobicContact CG-CB 4.2Å
332K82.9Confident75.3Confident54 Ų5472.8 Ų72.824%0.23539%0.392CS..EExtended strand (participates in β ladder)trans-117132.4-178.2-170.7171.6177.6-179.40111H334 F374 M375K332-H334 PolarHBondContact O-N 3.28Å; K332-F374 HydrophobicContact CB-CB 3.79Å; K332-F374 HydrophobicContact CB-CD1 3.87Å; K332-F374 HydrophobicContact CB-CG 3.96Å; K332-F374 HydrophobicContact CD-CB 4.35Å; K332-F374 HydrophobicContact CD-CD1 4.3Å; K332-F374 HydrophobicContact CD-CD2 4.18Å; K332-F374 HydrophobicContact CD-CG 4.02Å; K332-M375 PolarHBondContact N-O 3.04Å
333C83.3Confident75.4Confident2 Ų266.8 Ų66.81%0.01437%0.366CS..  trans-70.6124.4171.7-176.10000109.6V335 G337 Q338 F340 L346 H349C333-V335 PolarHBondContact O-N 3.26Å; C333-V335 PolarHBondContact SG-N 3.5Å; C333-G337 WeakPolarHBondContact O-CA 3.01Å; C333-G337 PolarHBondContact O-N 2.94Å; C333-Q338 PolarHBondContact N-O 3.42Å; C333-F340 HydrophobicContact CB-CE2 4.28Å; C333-L346 HydrophobicContact CB-CD1 3.67Å; C333-H349 PolarHBondContact SG-NE2 3.37Å; C333-H349 VanDerWaalsContact SG-NE2 3.43Å
334H78.2Confident75.4Confident74 Ų7467.9 Ų67.934%0.34337%0.374SS..THydrogen-bonded Turntrans-71.4-19.9177.268.360000112.7K332 F356K332-H334 PolarHBondContact O-N 3.28Å; H334-F356 AromaticContact CE1-CZ 3.81Å
335V79.4Confident75.9Confident73 Ų7365.8 Ų65.844%0.44237%0.369SS..THydrogen-bonded Turntrans-85.1-46.8-177.2-170.50000111.7C333 H354 F356C333-V335 PolarHBondContact O-N 3.26Å; C333-V335 PolarHBondContact SG-N 3.5Å; V335-H354 VanDerWaalsContact CG1-CE1 3.47Å; V335-H354 WeakPolarHBondContact CG1-CE1 2.98Å; V335-H354 WeakPolarHBondContact CG1-ND1 2.99Å; V335-F356 HydrophobicContact CG2-CE2 3.8Å; V335-F356 HydrophobicContact CG2-CZ 4.21Å
336C81.6Confident76.7Confident59 Ų5962.7 Ų62.740%0.39934%0.337SS..THydrogen-bonded Turntrans-120.22.4-173.468.80000114.4Q338 H349 H354C336-Q338 PolarHBondContact O-N 3.08Å; C336-Q338 VanDerWaalsContact O-N 3.08Å; C336-H349 PolarHBondContact SG-CE1 2.86Å; C336-H349 PolarHBondContact SG-NE2 3.29Å; C336-H354 PolarHBondContact SG-NE2 3.3Å
337G77.9Confident77.7Confident35 Ų3559.1 Ų59.136%0.36132%0.315SS..  trans70.70.1177.800000115.7C333 C339C333-G337 WeakPolarHBondContact O-CA 3.01Å; C333-G337 PolarHBondContact O-N 2.94Å; G337-C339 PolarHBondContact O-N 3Å
338Q79.6Confident78.7Confident84 Ų8459.2 Ų59.239%0.39332%0.322SS..  trans-63.2132.9179.1-71.4-160.7-30.400111.5C333 C336 F340 H349C333-Q338 PolarHBondContact N-O 3.42Å; C336-Q338 PolarHBondContact O-N 3.08Å; C336-Q338 VanDerWaalsContact O-N 3.08Å; Q338-F340 HydrophobicContact CB-CE2 3.72Å; Q338-F340 HydrophobicContact CB-CZ 3.79Å; Q338-F340 WeakPolarHBondContact O-CD2 3.47Å; Q338-F340 VanDerWaalsContact O-CE2 3.28Å; Q338-F340 WeakPolarHBondContact O-CE2 3.45Å; Q338-H349 PolarHBondContact OE1-CE1 3.16Å; Q338-H349 PolarHBondContact OE1-ND1 3.42Å
339C82.6Confident79.6Confident62 Ų6254.3 Ų54.342%0.41929%0.291SS..EExtended strand (participates in β ladder)trans-97.3138.6179.1-60.60000111.1A329 Y331 G337A329-C339 HydrophobicContact CB-CB 3.63Å; Y331-C339 CarbonylContact O-C 3.5Å; Y331-C339 VanDerWaalsContact O-CA 3.32Å; Y331-C339 WeakPolarHBondContact O-CA 3.35Å; G337-C339 PolarHBondContact O-N 3Å
340F79.4Confident80.2Confident35 Ų3553 Ų5315%0.15428%0.28CS..EExtended strand (participates in β ladder)trans-128.6147.7-178-59.2-85.3000109.7A329 R330 Y331 C333 Q338 L346 H349A329-F340 CarbonylContact C-O 3.47Å; A329-F340 WeakPolarHBondContact CA-O 3.38Å; R330-F340 PolarHBondContact N-O 2.61Å; Y331-F340 WeakPolarHBondContact CB-O 3.46Å; Y331-F340 PolarHBondContact N-O 2.95Å; Y331-F340 PolarHBondContact O-N 3.08Å; C333-F340 HydrophobicContact CB-CE2 4.28Å; Q338-F340 HydrophobicContact CB-CE2 3.72Å; Q338-F340 HydrophobicContact CB-CZ 3.79Å; Q338-F340 WeakPolarHBondContact O-CD2 3.47Å; Q338-F340 VanDerWaalsContact O-CE2 3.28Å; Q338-F340 WeakPolarHBondContact O-CE2 3.45Å; F340-L346 HydrophobicContact CB-CB 4.21Å; F340-L346 HydrophobicContact CD2-CB 3.77Å; F340-L346 HydrophobicContact CD2-CD1 3.62Å; F340-L346 HydrophobicContact CD2-CG 4.22Å; F340-L346 HydrophobicContact CE2-CB 4.47Å; F340-L346 HydrophobicContact CE2-CD1 3.65Å; F340-L346 HydrophobicContact CG-CB 4.08Å; F340-H349 HydrophobicContact CE1-CB 3.91Å; F340-H349 HydrophobicContact CE2-CB 4.09Å; F340-H349 AromaticContact CE2-CD2 3.81Å; F340-H349 AromaticContact CE2-CG 3.79Å; F340-H349 HydrophobicContact CZ-CB 3.51Å; F340-H349 AromaticContact CZ-CD2 3.77Å; F340-H349 AromaticContact CZ-CE1 3.9Å; F340-H349 AromaticContact CZ-CG 3.28Å; F340-H349 AromaticContact CZ-ND1 3.41Å; F340-H349 WeakPolarHBondContact CZ-ND1 3.35Å
341T77.1Confident80.3Confident60 Ų6051.4 Ų51.437%0.36828%0.277SS..SBendtrans-84.4-19.5178.854.20000113.3F327 A329F327-T341 HydrophobicContact CD1-CG2 3.76Å; F327-T341 HydrophobicContact CE1-CG2 3.49Å; F327-T341 VanDerWaalsContact CE1-CG2 3.49Å; F327-T341 HydrophobicContact CZ-CG2 4.43Å; A329-T341 HydrophobicContact CB-CG2 4.23Å
342R76.2Confident80.5Confident142 Ų14256.4 Ų56.454%0.53630%0.3SS..SBendtrans-132.9140.1-179.9-58.9179.472.3-173.63.2110.3N344 S345 L346R342-N344 PolarHBondContact O-N 2.83Å; R342-S345 WeakPolarHBondContact O-CB 3.44Å; R342-S345 PolarHBondContact O-N 3.35Å; R342-L346 PolarHBondContact O-N 3.15Å
343G76.9Confident80.5Confident8 Ų859.7 Ų59.78%0.08231%0.314CS..Hα-helixtrans-59.2-3317500000113.3Y331 S345 L346 T347 Y367Y331-G343 VanDerWaalsContact CE2-N 3.34Å; G343-S345 VanDerWaalsContact C-N 3.31Å; G343-S345 PolarHBondContact O-N 3.21Å; G343-L346 PolarHBondContact O-N 3.31Å; G343-T347 PolarHBondContact O-N 2.95Å; G343-T347 PolarHBondContact O-OG1 3.05Å; G343-Y367 PolarHBondContact O-OH 2.87Å
344N80.6Confident80.4Confident89 Ų8962 Ų6248%0.47633%0.325SS..Hα-helixtrans-63-36.3174.1-764.2000112.5R342 T347 V348R342-N344 PolarHBondContact O-N 2.83Å; N344-T347 WeakPolarHBondContact O-CB 3.25Å; N344-T347 PolarHBondContact O-N 3.34Å; N344-V348 WeakPolarHBondContact O-CG2 3.33Å; N344-V348 PolarHBondContact O-N 3.36Å
345S82.6Confident80.3Confident48 Ų4865.9 Ų65.934%0.33634%0.343SS..Hα-helixtrans-68-41.8177.4-53.30000110.9R342 G343 T347 V348 H349R342-S345 WeakPolarHBondContact O-CB 3.44Å; R342-S345 PolarHBondContact O-N 3.35Å; G343-S345 VanDerWaalsContact C-N 3.31Å; G343-S345 PolarHBondContact O-N 3.21Å; S345-T347 VanDerWaalsContact C-N 3.34Å; S345-V348 PolarHBondContact O-N 3.34Å; S345-H349 WeakPolarHBondContact O-CB 3.42Å; S345-H349 PolarHBondContact O-N 2.96Å
346L81.8Confident79.9Confident1 Ų165.3 Ų65.31%0.00534%0.335CS..Hα-helixtrans-62.7-40.8172.4177.655.8000111.4Y331 C333 F340 R342 G343 V348 H349 L350 Y367Y331-L346 HydrophobicContact CD1-CD2 4.44Å; C333-L346 HydrophobicContact CB-CD1 3.67Å; F340-L346 HydrophobicContact CB-CB 4.21Å; F340-L346 HydrophobicContact CD2-CB 3.77Å; F340-L346 HydrophobicContact CD2-CD1 3.62Å; F340-L346 HydrophobicContact CD2-CG 4.22Å; F340-L346 HydrophobicContact CE2-CB 4.47Å; F340-L346 HydrophobicContact CE2-CD1 3.65Å; F340-L346 HydrophobicContact CG-CB 4.08Å; R342-L346 PolarHBondContact O-N 3.15Å; G343-L346 PolarHBondContact O-N 3.31Å; L346-V348 PolarHBondContact O-N 3.41Å; L346-H349 WeakPolarHBondContact O-CB 2.93Å; L346-H349 PolarHBondContact O-N 3.44Å; L346-L350 HydrophobicContact CD1-CD1 4.02Å; L346-L350 HydrophobicContact CD1-CD2 4.49Å; L346-L350 HydrophobicContact CD1-CG 3.95Å; L346-L350 HydrophobicContact CG-CD1 3.94Å; L346-L350 HydrophobicContact CG-CG 4.37Å; L346-L350 WeakPolarHBondContact O-CB 3.42Å; L346-L350 VanDerWaalsContact O-CG 3.3Å; L346-L350 WeakPolarHBondContact O-CG 3.41Å; L346-L350 PolarHBondContact O-N 3.02Å; L346-Y367 HydrophobicContact CB-CE1 4.35Å; L346-Y367 HydrophobicContact CD2-CD1 3.85Å; L346-Y367 HydrophobicContact CD2-CE1 3.33Å; L346-Y367 HydrophobicContact CG-CE1 3.75Å
347T80.9Confident79.1Confident18 Ų1870.8 Ų70.811%0.1135%0.352CS..Hα-helixtrans-58-49.6176-65.30000111.8G343 N344 S345 H349 L350 H351 W358 F365 Y367G343-T347 PolarHBondContact O-N 2.95Å; G343-T347 PolarHBondContact O-OG1 3.05Å; N344-T347 WeakPolarHBondContact O-CB 3.25Å; N344-T347 PolarHBondContact O-N 3.34Å; S345-T347 VanDerWaalsContact C-N 3.34Å; T347-H349 VanDerWaalsContact C-N 3.31Å; T347-H349 PolarHBondContact O-N 3.29Å; T347-L350 PolarHBondContact O-N 3.45Å; T347-H351 PolarHBondContact O-N 3.48Å; T347-W358 HydrophobicContact CG2-CH2 3.66Å; T347-W358 HydrophobicContact CG2-CZ2 4.07Å; T347-F365 HydrophobicContact CG2-CD2 3.53Å; T347-F365 HydrophobicContact CG2-CE2 3.9Å; T347-Y367 VanDerWaalsContact CA-OH 3.31Å; T347-Y367 WeakPolarHBondContact CA-OH 3.46Å; T347-Y367 PolarHBondContact N-OH 3.34Å; T347-Y367 PolarHBondContact OG1-OH 2.86Å
348V81.6Confident78.3Confident72 Ų7273.3 Ų73.344%0.43635%0.351SS..Hα-helixtrans-64.6-39.3179.5171.80000110.6N344 S345 L346 H351 K352N344-V348 WeakPolarHBondContact O-CG2 3.33Å; N344-V348 PolarHBondContact O-N 3.36Å; S345-V348 PolarHBondContact O-N 3.34Å; L346-V348 PolarHBondContact O-N 3.41Å; V348-H351 PolarHBondContact O-N 2.72Å; V348-K352 HydrophobicContact CG1-CD 3.8Å; V348-K352 HydrophobicContact CG1-CG 4.2Å; V348-K352 WeakPolarHBondContact O-CB 3.49Å; V348-K352 WeakPolarHBondContact O-CG 3.31Å; V348-K352 PolarHBondContact O-N 2.97Å
349H82.9Confident77.3Confident12 Ų1273.6 Ų73.66%0.05636%0.36CS..Hα-helixtrans-62-47.6175.8166.890.8000112.3C333 C336 Q338 F340 S345 L346 T347 H351 K352 K353 H354C333-H349 PolarHBondContact SG-NE2 3.37Å; C333-H349 VanDerWaalsContact SG-NE2 3.43Å; C336-H349 PolarHBondContact SG-CE1 2.86Å; C336-H349 PolarHBondContact SG-NE2 3.29Å; Q338-H349 PolarHBondContact OE1-CE1 3.16Å; Q338-H349 PolarHBondContact OE1-ND1 3.42Å; F340-H349 HydrophobicContact CE1-CB 3.91Å; F340-H349 HydrophobicContact CE2-CB 4.09Å; F340-H349 AromaticContact CE2-CD2 3.81Å; F340-H349 AromaticContact CE2-CG 3.79Å; F340-H349 HydrophobicContact CZ-CB 3.51Å; F340-H349 AromaticContact CZ-CD2 3.77Å; F340-H349 AromaticContact CZ-CE1 3.9Å; F340-H349 AromaticContact CZ-CG 3.28Å; F340-H349 AromaticContact CZ-ND1 3.41Å; F340-H349 WeakPolarHBondContact CZ-ND1 3.35Å; S345-H349 WeakPolarHBondContact O-CB 3.42Å; S345-H349 PolarHBondContact O-N 2.96Å; L346-H349 WeakPolarHBondContact O-CB 2.93Å; L346-H349 PolarHBondContact O-N 3.44Å; T347-H349 VanDerWaalsContact C-N 3.31Å; T347-H349 PolarHBondContact O-N 3.29Å; H349-H351 VanDerWaalsContact C-N 3.3Å; H349-H351 PolarHBondContact O-N 2.66Å; H349-K352 PolarHBondContact O-N 3.35Å; H349-K353 WeakPolarHBondContact O-CB 3.27Å; H349-K353 PolarHBondContact O-N 3.46Å; H349-H354 AromaticContact CD2-CD2 3.82Å; H349-H354 AromaticContact CE1-NE2 3.78Å; H349-H354 AromaticContact NE2-CD2 3.36Å; H349-H354 PolarHBondContact NE2-CD2 2.95Å; H349-H354 AromaticContact NE2-NE2 3.16Å; H349-H354 PolarHBondContact NE2-NE2 3.13Å; H349-H354 VanDerWaalsContact NE2-NE2 3.16Å
350L82.1Confident75.9Confident1 Ų175.1 Ų75.11%0.00537%0.371CS..Hα-helixtrans-60.2-40.8177.6-72.3166.7000111.6L346 T347 H354 Q355 F356 F365 L377L346-L350 HydrophobicContact CD1-CD1 4.02Å; L346-L350 HydrophobicContact CD1-CD2 4.49Å; L346-L350 HydrophobicContact CD1-CG 3.95Å; L346-L350 HydrophobicContact CG-CD1 3.94Å; L346-L350 HydrophobicContact CG-CG 4.37Å; L346-L350 WeakPolarHBondContact O-CB 3.42Å; L346-L350 VanDerWaalsContact O-CG 3.3Å; L346-L350 WeakPolarHBondContact O-CG 3.41Å; L346-L350 PolarHBondContact O-N 3.02Å; T347-L350 PolarHBondContact O-N 3.45Å; L350-H354 CarbonylContact O-C 3.52Å; L350-H354 VanDerWaalsContact O-C 3.29Å; L350-H354 WeakPolarHBondContact O-CA 3.29Å; L350-H354 WeakPolarHBondContact O-CB 3.3Å; L350-H354 PolarHBondContact O-N 3.06Å; L350-Q355 PolarHBondContact O-N 2.84Å; L350-Q355 VanDerWaalsContact O-N 3.1Å; L350-F356 HydrophobicContact CB-CB 4.25Å; L350-F356 HydrophobicContact CD2-CD2 4.27Å; L350-F356 PolarHBondContact O-N 3.42Å; L350-F365 HydrophobicContact CB-CE2 4.07Å; L350-F365 HydrophobicContact CD1-CD2 4.23Å; L350-F365 HydrophobicContact CD1-CE2 4.3Å; L350-L377 HydrophobicContact CD1-CB 4.35Å; L350-L377 HydrophobicContact CD1-CD2 4.12Å
351H80.3Confident74.8Confident93 Ų9374.7 Ų74.743%0.43138%0.377SS..Hα-helixtrans-71.6-41.7178.1-165.5-69.9000112.9T347 V348 H349 Q355T347-H351 PolarHBondContact O-N 3.48Å; V348-H351 PolarHBondContact O-N 2.72Å; H349-H351 VanDerWaalsContact C-N 3.3Å; H349-H351 PolarHBondContact O-N 2.66Å; H351-Q355 WeakPolarHBondContact O-CA 3.39Å; H351-Q355 PolarHBondContact O-N 3.42Å
352K82.9Confident73.9Confident162 Ų16274 Ų7470%0.70437%0.369SS*.Hα-helixtrans-82.8-46.1-174.7-71.8-172.2177.6-173.60113.7V348 H349V348-K352 HydrophobicContact CG1-CD 3.8Å; V348-K352 HydrophobicContact CG1-CG 4.2Å; V348-K352 WeakPolarHBondContact O-CB 3.49Å; V348-K352 WeakPolarHBondContact O-CG 3.31Å; V348-K352 PolarHBondContact O-N 2.97Å; H349-K352 PolarHBondContact O-N 3.35Å
353K82.8Confident73Confident123 Ų12370.3 Ų70.354%0.53536%0.364SS..Hα-helixtrans-88.5-38.2-175.8-68.2-157.4-174.4174.70112.6H349H349-K353 WeakPolarHBondContact O-CB 3.27Å; H349-K353 PolarHBondContact O-N 3.46Å
354H80.9Confident72.4Confident52 Ų5277.8 Ų77.824%0.24139%0.389CS..SBendtrans-106.32.3-174.5-61-62.5000113.4V335 C336 H349 L350 F356V335-H354 VanDerWaalsContact CG1-CE1 3.47Å; V335-H354 WeakPolarHBondContact CG1-CE1 2.98Å; V335-H354 WeakPolarHBondContact CG1-ND1 2.99Å; C336-H354 PolarHBondContact SG-NE2 3.3Å; H349-H354 AromaticContact CD2-CD2 3.82Å; H349-H354 AromaticContact CE1-NE2 3.78Å; H349-H354 AromaticContact NE2-CD2 3.36Å; H349-H354 PolarHBondContact NE2-CD2 2.95Å; H349-H354 AromaticContact NE2-NE2 3.16Å; H349-H354 PolarHBondContact NE2-NE2 3.13Å; H349-H354 VanDerWaalsContact NE2-NE2 3.16Å; L350-H354 CarbonylContact O-C 3.52Å; L350-H354 VanDerWaalsContact O-C 3.29Å; L350-H354 WeakPolarHBondContact O-CA 3.29Å; L350-H354 WeakPolarHBondContact O-CB 3.3Å; L350-H354 PolarHBondContact O-N 3.06Å; H354-F356 HydrophobicContact CB-CD2 3.53Å; H354-F356 HydrophobicContact CB-CE2 3.84Å; H354-F356 PolarHBondContact O-N 3.43Å
355Q75.6Confident71.8Confident155 Ų15574.4 Ų74.472%0.72437%0.371SS*.  trans52.227.3177.2-63.9151.859.500113.4L350 H351 K357L350-Q355 PolarHBondContact O-N 2.84Å; L350-Q355 VanDerWaalsContact O-N 3.1Å; H351-Q355 WeakPolarHBondContact O-CA 3.39Å; H351-Q355 PolarHBondContact O-N 3.42Å; Q355-K357 PolarHBondContact O-N 3.26Å
356F72.3Confident71.2Confident60 Ų6079 Ų7926%0.26338%0.381SS..  trans-63.9113.4175.5-90.6-98.3000108.8H334 V335 L350 H354 F365 L377 L379H334-F356 AromaticContact CE1-CZ 3.81Å; V335-F356 HydrophobicContact CG2-CE2 3.8Å; V335-F356 HydrophobicContact CG2-CZ 4.21Å; L350-F356 HydrophobicContact CB-CB 4.25Å; L350-F356 HydrophobicContact CD2-CD2 4.27Å; L350-F356 PolarHBondContact O-N 3.42Å; H354-F356 HydrophobicContact CB-CD2 3.53Å; H354-F356 HydrophobicContact CB-CE2 3.84Å; H354-F356 PolarHBondContact O-N 3.43Å; F356-F365 HydrophobicContact CB-CZ 4Å; F356-L377 HydrophobicContact CD1-CD2 4.39Å; F356-L379 HydrophobicContact CE1-CD2 4.4Å
357K63.3Low71.1Confident174 Ų17480.8 Ų80.876%0.75739%0.387SS*.PPolyproline II helixtrans-83.2151169.5-66-177.6-178.4177.60108.9Q355 P359Q355-K357 PolarHBondContact O-N 3.26Å; K357-P359 WeakPolarHBondContact O-CD 3.43Å
358W61.8Low70.9Confident88 Ų8883.4 Ų83.433%0.33340%0.397SS..PPolyproline II helixtrans-56.9129.7166.8-54.7108000108.4T347 S360 H362 R364 F365T347-W358 HydrophobicContact CG2-CH2 3.66Å; T347-W358 HydrophobicContact CG2-CZ2 4.07Å; W358-S360 PolarHBondContact O-N 2.9Å; W358-H362 HydrophobicContact CB-CB 4.48Å; W358-H362 HydrophobicContact CE3-CB 4.46Å; W358-R364 VanDerWaalsContact CZ3-CA 3.49Å; W358-F365 AromaticContact CE3-CD1 3.95Å; W358-F365 HydrophobicContact CE3-CD1 3.95Å; W358-F365 AromaticContact CE3-CE1 3.79Å; W358-F365 HydrophobicContact CE3-CE1 3.79Å; W358-F365 HydrophobicContact CE3-CE2 4.43Å; W358-F365 HydrophobicContact CE3-CG 4.35Å; W358-F365 HydrophobicContact CE3-CZ 4.03Å; W358-F365 HydrophobicContact CH2-CB 4.41Å; W358-F365 HydrophobicContact CH2-CD1 4.22Å; W358-F365 AromaticContact CH2-CD2 3.5Å; W358-F365 HydrophobicContact CH2-CD2 3.5Å; W358-F365 HydrophobicContact CH2-CE1 4.35Å; W358-F365 AromaticContact CH2-CE2 3.63Å; W358-F365 HydrophobicContact CH2-CE2 3.63Å; W358-F365 AromaticContact CH2-CG 3.8Å; W358-F365 HydrophobicContact CH2-CG 3.8Å; W358-F365 HydrophobicContact CH2-CZ 4.06Å; W358-F365 HydrophobicContact CZ2-CE2 4.33Å; W358-F365 HydrophobicContact CZ3-CB 4.02Å; W358-F365 AromaticContact CZ3-CD1 3.36Å; W358-F365 HydrophobicContact CZ3-CD1 3.36Å; W358-F365 AromaticContact CZ3-CD2 3.52Å; W358-F365 HydrophobicContact CZ3-CD2 3.52Å; W358-F365 AromaticContact CZ3-CE1 3.54Å; W358-F365 HydrophobicContact CZ3-CE1 3.54Å; W358-F365 AromaticContact CZ3-CE2 3.67Å; W358-F365 HydrophobicContact CZ3-CE2 3.67Å; W358-F365 AromaticContact CZ3-CG 3.35Å; W358-F365 HydrophobicContact CZ3-CG 3.35Å; W358-F365 AromaticContact CZ3-CZ 3.68Å; W358-F365 HydrophobicContact CZ3-CZ 3.68Å
359P58.4Low70.7Confident91 Ų9183.9 Ų83.959%0.59140%0.395SS*.PPolyproline II helixtrans-50.6134.1157.5-22.933.7000107.6K357 G361 H362K357-P359 WeakPolarHBondContact O-CD 3.43Å; P359-G361 PolarHBondContact O-N 3.31Å; P359-H362 WeakPolarHBondContact O-CB 3.4Å; P359-H362 PolarHBondContact O-N 3.08Å
360S53.3Low70.3Confident94 Ų9487.6 Ų87.666%0.65741%0.412SS*.THydrogen-bonded Turntrans-46.9125.5-17727.50000109.9W358W358-S360 PolarHBondContact O-N 2.9Å
361G56.6Low69.9Low26 Ų2697.6 Ų97.627%0.26846%0.459SS..THydrogen-bonded Turntrans98.5-11.3-177.100000116.4M248 P359M248-G361 WeakPolarHBondContact CB-O 3.37Å; M248-G361 WeakPolarHBondContact CE-O 3.35Å; P359-G361 PolarHBondContact O-N 3.31Å
362H59Low69.7Low45 Ų4596.6 Ų96.621%0.20846%0.457CS..  trans-88.4137.2-175.1-142-82.5000114.8W358 P359 R364W358-H362 HydrophobicContact CB-CB 4.48Å; W358-H362 HydrophobicContact CE3-CB 4.46Å; P359-H362 WeakPolarHBondContact O-CB 3.4Å; P359-H362 PolarHBondContact O-N 3.08Å; H362-R364 PolarHBondContact CE1-O 2.74Å; H362-R364 PolarHBondContact ND1-N 2.87Å; H362-R364 PolarHBondContact ND1-O 3.25Å
363P55.6Low69.2Low65 Ų6590.5 Ų90.542%0.42244%0.44SS..SBendtrans-96.7-17.3-179.16.816.7000112.9M248M248-P363 HydrophobicContact CE-CG 3.54Å
364R64.8Low69.2Low164 Ų16487.5 Ų87.562%0.61943%0.427SS*.SBendtrans-167.9145.4-176.5-169-179.1-59.7171.12.6114.5W358 H362W358-R364 VanDerWaalsContact CZ3-CA 3.49Å; H362-R364 PolarHBondContact CE1-O 2.74Å; H362-R364 PolarHBondContact ND1-N 2.87Å; H362-R364 PolarHBondContact ND1-O 3.25Å
365F68.8Low69.1Low18 Ų1886.4 Ų86.48%0.07942%0.422CS..  trans-65.6140.9179.1-72.1-51000111.2T347 L350 F356 W358 Y367 L377T347-F365 HydrophobicContact CG2-CD2 3.53Å; T347-F365 HydrophobicContact CG2-CE2 3.9Å; L350-F365 HydrophobicContact CB-CE2 4.07Å; L350-F365 HydrophobicContact CD1-CD2 4.23Å; L350-F365 HydrophobicContact CD1-CE2 4.3Å; F356-F365 HydrophobicContact CB-CZ 4Å; W358-F365 AromaticContact CE3-CD1 3.95Å; W358-F365 HydrophobicContact CE3-CD1 3.95Å; W358-F365 AromaticContact CE3-CE1 3.79Å; W358-F365 HydrophobicContact CE3-CE1 3.79Å; W358-F365 HydrophobicContact CE3-CE2 4.43Å; W358-F365 HydrophobicContact CE3-CG 4.35Å; W358-F365 HydrophobicContact CE3-CZ 4.03Å; W358-F365 HydrophobicContact CH2-CB 4.41Å; W358-F365 HydrophobicContact CH2-CD1 4.22Å; W358-F365 AromaticContact CH2-CD2 3.5Å; W358-F365 HydrophobicContact CH2-CD2 3.5Å; W358-F365 HydrophobicContact CH2-CE1 4.35Å; W358-F365 AromaticContact CH2-CE2 3.63Å; W358-F365 HydrophobicContact CH2-CE2 3.63Å; W358-F365 AromaticContact CH2-CG 3.8Å; W358-F365 HydrophobicContact CH2-CG 3.8Å; W358-F365 HydrophobicContact CH2-CZ 4.06Å; W358-F365 HydrophobicContact CZ2-CE2 4.33Å; W358-F365 HydrophobicContact CZ3-CB 4.02Å; W358-F365 AromaticContact CZ3-CD1 3.36Å; W358-F365 HydrophobicContact CZ3-CD1 3.36Å; W358-F365 AromaticContact CZ3-CD2 3.52Å; W358-F365 HydrophobicContact CZ3-CD2 3.52Å; W358-F365 AromaticContact CZ3-CE1 3.54Å; W358-F365 HydrophobicContact CZ3-CE1 3.54Å; W358-F365 AromaticContact CZ3-CE2 3.67Å; W358-F365 HydrophobicContact CZ3-CE2 3.67Å; W358-F365 AromaticContact CZ3-CG 3.35Å; W358-F365 HydrophobicContact CZ3-CG 3.35Å; W358-F365 AromaticContact CZ3-CZ 3.68Å; W358-F365 HydrophobicContact CZ3-CZ 3.68Å; F365-Y367 HydrophobicContact CB-CE1 4.35Å; F365-Y367 HydrophobicContact CB-CE2 4.12Å; F365-L377 HydrophobicContact CB-CD1 3.47Å; F365-L377 VanDerWaalsContact CB-CD1 3.47Å; F365-L377 HydrophobicContact CD1-CD1 3.27Å; F365-L377 HydrophobicContact CD1-CD2 4.05Å; F365-L377 HydrophobicContact CD1-CG 4.33Å; F365-L377 HydrophobicContact CE1-CD1 4.18Å; F365-L377 HydrophobicContact CE1-CD2 4.15Å; F365-L377 HydrophobicContact CG-CD1 3.5Å; F365-L377 VanDerWaalsContact CG-CD1 3.5Å
366R69.7Low69.5Low146 Ų14681 Ų8155%0.55140%0.395SS*.  trans-100.3143.1170.8-68-174-179.2-163.71.4108.8L377 Q378R366-L377 WeakPolarHBondContact O-CD1 3.47Å; R366-Q378 HydrophobicContact CB-CB 4.25Å; R366-Q378 PolarHBondContact O-N 3.1Å
367Y79.2Confident69.7Low37 Ų3778.9 Ų78.915%0.14539%0.386CS..EExtended strand (participates in β ladder)trans-120.3137.6-178.3-60.1-75.7000109.8Y331 G343 L346 T347 F365 M375 R376 L377Y331-Y367 HydrophobicContact CD1-CD1 4.21Å; Y331-Y367 HydrophobicContact CD1-CD2 4.07Å; Y331-Y367 AromaticContact CD1-CG 3.91Å; Y331-Y367 HydrophobicContact CD1-CG 3.91Å; Y331-Y367 AromaticContact CE1-CD2 3.77Å; Y331-Y367 HydrophobicContact CE1-CD2 3.77Å; Y331-Y367 HydrophobicContact CE1-CE2 4.44Å; Y331-Y367 AromaticContact CE1-CG 3.87Å; Y331-Y367 HydrophobicContact CE1-CG 3.87Å; G343-Y367 PolarHBondContact O-OH 2.87Å; L346-Y367 HydrophobicContact CB-CE1 4.35Å; L346-Y367 HydrophobicContact CD2-CD1 3.85Å; L346-Y367 HydrophobicContact CD2-CE1 3.33Å; L346-Y367 HydrophobicContact CG-CE1 3.75Å; T347-Y367 VanDerWaalsContact CA-OH 3.31Å; T347-Y367 WeakPolarHBondContact CA-OH 3.46Å; T347-Y367 PolarHBondContact N-OH 3.34Å; T347-Y367 PolarHBondContact OG1-OH 2.86Å; F365-Y367 HydrophobicContact CB-CE1 4.35Å; F365-Y367 HydrophobicContact CB-CE2 4.12Å; Y367-M375 WeakPolarHBondContact O-CE 3.47Å; Y367-R376 CarbonylContact C-O 3.55Å; Y367-R376 WeakPolarHBondContact CA-O 3.39Å; Y367-L377 HydrophobicContact CD1-CB 4.47Å; Y367-L377 HydrophobicContact CE1-CB 4.34Å; Y367-L377 HydrophobicContact CE1-CD1 4.39Å
368K76.3Confident70.3Confident74 Ų7473.5 Ų73.532%0.32236%0.364SS..EExtended strand (participates in β ladder)trans-116.6140.5175.8-168.8-174.8-179.2-171.70109.5S218 H219 M375 R376 Q378S218-K368 PolarHBondContact O-NZ 3.41Å; H219-K368 WeakPolarHBondContact O-CE 3.44Å; K368-M375 CarbonylContact O-C 3.54Å; K368-M375 WeakPolarHBondContact O-CA 3.35Å; K368-R376 PolarHBondContact N-O 3.49Å; K368-R376 PolarHBondContact O-N 2.97Å; K368-Q378 HydrophobicContact CB-CB 4.41Å
369E78.5Confident70.4Confident81 Ų8174.7 Ų74.738%0.37938%0.376SS..EExtended strand (participates in β ladder)trans-73.1129.1173-162.6163.9157.100109.5R330 M375R330-E369 IonicContact CZ-OE2 3.06Å; R330-E369 IonicContact NH2-OE1 3.81Å; R330-E369 IonicContact NH2-OE2 2.9Å; R330-E369 PolarHBondContact NH2-OE2 3.15Å; E369-M375 HydrophobicContact CB-SD 3.62Å; E369-M375 HydrophobicContact CG-SD 4.22Å; E369-M375 PolarHBondContact N-SD 3.18Å; E369-M375 VanDerWaalsContact N-SD 3.45Å
370H75.4Confident70.5Confident91 Ų9175.4 Ų75.442%0.42137%0.374SS..  trans-97167.6172.8-84-102.1000110.8D372 G373 F374H370-D372 VanDerWaalsContact CB-OD1 3.3Å; H370-D372 WeakPolarHBondContact CB-OD1 3.48Å; H370-D372 PolarHBondContact O-N 3.32Å; H370-G373 PolarHBondContact O-N 3.05Å; H370-F374 PolarHBondContact N-O 3.38Å
371E72.6Confident71Confident211 Ų21175.1 Ų75.199%0.98636%0.358SS*.THydrogen-bonded Turntrans-55.2-25.1-177.9-62.9176.9169.800114G373E371-G373 VanDerWaalsContact C-N 3.25Å; E371-G373 PolarHBondContact O-N 3.01Å
372D75.1Confident71.3Confident72 Ų7278.2 Ų78.239%0.38536%0.363SS..THydrogen-bonded Turntrans-84.29.217666.6-13.9000114.1H370 F374 R376H370-D372 VanDerWaalsContact CB-OD1 3.3Å; H370-D372 WeakPolarHBondContact CB-OD1 3.48Å; H370-D372 PolarHBondContact O-N 3.32Å; D372-F374 HydrophobicContact CB-CD2 4.37Å; D372-F374 WeakPolarHBondContact O-CD2 3.41Å; D372-F374 PolarHBondContact O-N 3.49Å; D372-F374 PolarHBondContact OD1-N 3.46Å; D372-R376 IonicContact OD1-CZ 3.12Å; D372-R376 IonicContact OD1-NH1 3.82Å; D372-R376 PolarHBondContact OD1-NH1 3.01Å; D372-R376 IonicContact OD1-NH2 3.19Å; D372-R376 IonicContact OD2-CZ 2.72Å; D372-R376 VanDerWaalsContact OD2-CZ 3.23Å; D372-R376 IonicContact OD2-NH1 2.94Å; D372-R376 PolarHBondContact OD2-NH1 3.41Å; D372-R376 IonicContact OD2-NH2 3.69Å; D372-R376 PolarHBondContact OD2-NH2 3.41Å
373G74.2Confident71.9Confident34 Ų3478.8 Ų78.835%0.35137%0.365SS..SBendtrans77.3017800000114.9H370 E371H370-G373 PolarHBondContact O-N 3.05Å; E371-G373 VanDerWaalsContact C-N 3.25Å; E371-G373 PolarHBondContact O-N 3.01Å
374F81.9Confident72.7Confident60 Ų6076.4 Ų76.426%0.26335%0.35SS..  trans-93.3140.6177.7-70-84.1000112.3A329 K332 H370 D372A329-F374 WeakPolarHBondContact O-CD1 3.41Å; A329-F374 WeakPolarHBondContact O-CE1 3.41Å; K332-F374 HydrophobicContact CB-CB 3.79Å; K332-F374 HydrophobicContact CB-CD1 3.87Å; K332-F374 HydrophobicContact CB-CG 3.96Å; K332-F374 HydrophobicContact CD-CB 4.35Å; K332-F374 HydrophobicContact CD-CD1 4.3Å; K332-F374 HydrophobicContact CD-CD2 4.18Å; K332-F374 HydrophobicContact CD-CG 4.02Å; H370-F374 PolarHBondContact N-O 3.38Å; D372-F374 HydrophobicContact CB-CD2 4.37Å; D372-F374 WeakPolarHBondContact O-CD2 3.41Å; D372-F374 PolarHBondContact O-N 3.49Å; D372-F374 PolarHBondContact OD1-N 3.46Å
375M79.9Confident73.1Confident28 Ų2873.8 Ų73.814%0.13835%0.352CS..EExtended strand (participates in β ladder)trans-82116.2171.8-63-73.7-63.500109.8R330 Y331 K332 Y367 K368 E369R330-M375 HydrophobicContact CG-CG 3.9Å; R330-M375 WeakPolarHBondContact O-CB 2.91Å; R330-M375 PolarHBondContact O-N 3.37Å; Y331-M375 CarbonylContact C-O 3.47Å; Y331-M375 WeakPolarHBondContact CA-O 2.86Å; Y331-M375 HydrophobicContact CD1-CB 3.62Å; Y331-M375 HydrophobicContact CD1-CG 4.44Å; Y331-M375 HydrophobicContact CE1-CB 3.85Å; Y331-M375 HydrophobicContact CE1-CG 4.27Å; Y331-M375 HydrophobicContact CG-CB 4.2Å; K332-M375 PolarHBondContact N-O 3.04Å; Y367-M375 WeakPolarHBondContact O-CE 3.47Å; K368-M375 CarbonylContact O-C 3.54Å; K368-M375 WeakPolarHBondContact O-CA 3.35Å; E369-M375 HydrophobicContact CB-SD 3.62Å; E369-M375 HydrophobicContact CG-SD 4.22Å; E369-M375 PolarHBondContact N-SD 3.18Å; E369-M375 VanDerWaalsContact N-SD 3.45Å
376R82.6Confident73.5Confident43 Ų4380.2 Ų80.216%0.16238%0.383CS..EExtended strand (participates in β ladder)trans-114.5163.4175.1-62.2-176.6172.184.3-3111.3Y367 K368 D372 Q378Y367-R376 CarbonylContact C-O 3.55Å; Y367-R376 WeakPolarHBondContact CA-O 3.39Å; K368-R376 PolarHBondContact N-O 3.49Å; K368-R376 PolarHBondContact O-N 2.97Å; D372-R376 IonicContact OD1-CZ 3.12Å; D372-R376 IonicContact OD1-NH1 3.82Å; D372-R376 PolarHBondContact OD1-NH1 3.01Å; D372-R376 IonicContact OD1-NH2 3.19Å; D372-R376 IonicContact OD2-CZ 2.72Å; D372-R376 VanDerWaalsContact OD2-CZ 3.23Å; D372-R376 IonicContact OD2-NH1 2.94Å; D372-R376 PolarHBondContact OD2-NH1 3.41Å; D372-R376 IonicContact OD2-NH2 3.69Å; D372-R376 PolarHBondContact OD2-NH2 3.41Å; R376-Q378 PolarHBondContact O-N 3.29Å
377L77.4Confident73.6Confident14 Ų1473.5 Ų73.57%0.07336%0.357CS..EExtended strand (participates in β ladder)trans-61.7126.8-179.9176.365.4000110.6L350 F356 F365 R366 Y367 L379L350-L377 HydrophobicContact CD1-CB 4.35Å; L350-L377 HydrophobicContact CD1-CD2 4.12Å; F356-L377 HydrophobicContact CD1-CD2 4.39Å; F365-L377 HydrophobicContact CB-CD1 3.47Å; F365-L377 VanDerWaalsContact CB-CD1 3.47Å; F365-L377 HydrophobicContact CD1-CD1 3.27Å; F365-L377 HydrophobicContact CD1-CD2 4.05Å; F365-L377 HydrophobicContact CD1-CG 4.33Å; F365-L377 HydrophobicContact CE1-CD1 4.18Å; F365-L377 HydrophobicContact CE1-CD2 4.15Å; F365-L377 HydrophobicContact CG-CD1 3.5Å; F365-L377 VanDerWaalsContact CG-CD1 3.5Å; R366-L377 WeakPolarHBondContact O-CD1 3.47Å; Y367-L377 HydrophobicContact CD1-CB 4.47Å; Y367-L377 HydrophobicContact CE1-CB 4.34Å; Y367-L377 HydrophobicContact CE1-CD1 4.39Å; L377-L379 HydrophobicContact CD2-CD2 3.51Å; L377-L379 HydrophobicContact CD2-CG 4.37Å; L377-L379 HydrophobicContact CG-CD2 3.9Å; L377-L379 HydrophobicContact CG-CG 4.32Å; L377-L379 PolarHBondContact O-N 2.59Å
378Q74.3Confident73.4Confident62 Ų6274.8 Ų74.829%0.2937%0.369SS..  trans-80.3108.2172.4-174.517417.300109.2R366 K368 R376R366-Q378 HydrophobicContact CB-CB 4.25Å; R366-Q378 PolarHBondContact O-N 3.1Å; K368-Q378 HydrophobicContact CB-CB 4.41Å; R376-Q378 PolarHBondContact O-N 3.29Å
379L64.8Low73.5Confident112 Ų11275.8 Ų75.859%0.58638%0.375SS*.  trans-91.1-26.7-177.4-66.3170.6000113.3F356 L377F356-L379 HydrophobicContact CE1-CD2 4.4Å; L377-L379 HydrophobicContact CD2-CD2 3.51Å; L377-L379 HydrophobicContact CD2-CG 4.37Å; L377-L379 HydrophobicContact CG-CD2 3.9Å; L377-L379 HydrophobicContact CG-CG 4.32Å; L377-L379 PolarHBondContact O-N 2.59Å
380I60.5Low73.6Confident106 Ų10676.3 Ų76.354%0.54438%0.377SS..  trans-91127.6-174.8-54.5173.5000110.3Y382I380-Y382 HydrophobicContact CB-CE2 4.48Å; I380-Y382 HydrophobicContact CG2-CD2 4.42Å; I380-Y382 HydrophobicContact CG2-CE1 4.25Å; I380-Y382 HydrophobicContact CG2-CE2 3.69Å
381R63.9Low73.7Confident88 Ų8874.1 Ų74.133%0.33237%0.369SS..  trans-120.4135.4173.8-176-176.9179.795.711.9109.1S239 T249 E383S239-R381 PolarHBondContact OG-NH2 3.46Å; T249-R381 PolarHBondContact O-NH2 3.31Å; T249-R381 PolarHBondContact OG1-NE 3.33Å; T249-R381 PolarHBondContact OG1-NH2 2.89Å; R381-E383 WeakPolarHBondContact CD-OE1 3.48Å; R381-E383 HydrophobicContact CG-CG 4.2Å; R381-E383 IonicContact NE-OE1 2.72Å; R381-E383 PolarHBondContact NE-OE1 3.42Å
382Y62.8Low73.9Confident92 Ų9269.1 Ų69.136%0.36135%0.347SS..  trans-99.9114.8178.9-60.4-91.6000108.8H219 V238 S239 I380H219-Y382 AromaticContact CE1-CD2 3.97Å; H219-Y382 AromaticContact CE1-CE1 3.56Å; H219-Y382 AromaticContact CE1-CE2 3.4Å; H219-Y382 VanDerWaalsContact CE1-CE2 3.4Å; H219-Y382 WeakPolarHBondContact CE1-CE2 3.35Å; H219-Y382 AromaticContact CE1-CZ 3.15Å; H219-Y382 PolarHBondContact CE1-OH 2.61Å; H219-Y382 VanDerWaalsContact CE1-OH 3.32Å; H219-Y382 AromaticContact ND1-CD2 3.75Å; H219-Y382 AromaticContact ND1-CE2 3.03Å; H219-Y382 WeakPolarHBondContact ND1-CE2 3.45Å; H219-Y382 AromaticContact ND1-CZ 3.21Å; H219-Y382 PolarHBondContact ND1-OH 2.86Å; V238-Y382 WeakPolarHBondContact CA-O 3.41Å; S239-Y382 PolarHBondContact N-O 3.49Å; I380-Y382 HydrophobicContact CB-CE2 4.48Å; I380-Y382 HydrophobicContact CG2-CD2 4.42Å; I380-Y382 HydrophobicContact CG2-CE1 4.25Å; I380-Y382 HydrophobicContact CG2-CE2 3.69Å
383E71.9Confident74.2Confident56 Ų5673.6 Ų73.626%0.26236%0.358SS..BIsolated β-bridgetrans-112.3152.7173.9-59.4-167.2151.700107.8T249 R381 L387 L391T249-E383 WeakPolarHBondContact CG2-OE1 3.35Å; T249-E383 PolarHBondContact OG1-OE1 2.78Å; R381-E383 WeakPolarHBondContact CD-OE1 3.48Å; R381-E383 HydrophobicContact CG-CG 4.2Å; R381-E383 IonicContact NE-OE1 2.72Å; R381-E383 PolarHBondContact NE-OE1 3.42Å; E383-L387 HydrophobicContact CB-CD2 4.28Å; E383-L391 VanDerWaalsContact OE2-CD1 3.24Å; E383-L391 WeakPolarHBondContact OE2-CD1 3.29Å
384S72.9Confident74.3Confident16 Ų1675.2 Ų75.211%0.11236%0.357CS..  trans-63.7151.8174.361.10000110.1S239 E386 L387 T388S239-S384 PolarHBondContact O-N 3Å; S384-E386 VanDerWaalsContact C-N 3.26Å; S384-E386 PolarHBondContact O-N 3.42Å; S384-L387 PolarHBondContact O-N 2.87Å; S384-L387 VanDerWaalsContact O-N 3.16Å; S384-L387 VanDerWaalsContact OG-CB 3.23Å; S384-L387 WeakPolarHBondContact OG-CB 3.34Å; S384-L387 PolarHBondContact OG-N 3.4Å; S384-T388 PolarHBondContact O-N 3.5Å; S384-T388 PolarHBondContact O-OG1 3.22Å
385V72.8Confident74.1Confident108 Ų10879.8 Ų79.866%0.65538%0.377SS*.Hα-helixtrans-56.3-46.4176.7178.80000110L387 T388 E389V385-L387 VanDerWaalsContact C-N 3.32Å; V385-L387 PolarHBondContact O-N 2.95Å; V385-T388 WeakPolarHBondContact O-CB 3.43Å; V385-T388 PolarHBondContact O-N 3.3Å; V385-T388 VanDerWaalsContact O-N 3.09Å; V385-E389 HydrophobicContact CG1-CG 4.49Å; V385-E389 WeakPolarHBondContact O-CG 3.36Å; V385-E389 PolarHBondContact O-N 3.25Å
386E75.9Confident73.9Confident154 Ų15484.6 Ų84.672%0.7240%0.398SS*.Hα-helixtrans-55.1-44.3176.2-62.9170.8-178.600112.8S384 E389 Q390S384-E386 VanDerWaalsContact C-N 3.26Å; S384-E386 PolarHBondContact O-N 3.42Å; E386-E389 PolarHBondContact O-N 2.82Å; E386-Q390 PolarHBondContact O-N 2.84Å
387L73.6Confident73.4Confident4 Ų489 Ų892%0.02142%0.419CS..Hα-helixtrans-69.6-38.9178.6179.360.3000111.2S239 K242 T249 E383 S384 V385 Q390 L391S239-L387 VanDerWaalsContact O-CD2 3.29Å; S239-L387 WeakPolarHBondContact O-CD2 3.41Å; K242-L387 HydrophobicContact CB-CD1 3.95Å; T249-L387 HydrophobicContact CG2-CD2 3.71Å; T249-L387 HydrophobicContact CG2-CG 4.5Å; E383-L387 HydrophobicContact CB-CD2 4.28Å; S384-L387 PolarHBondContact O-N 2.87Å; S384-L387 VanDerWaalsContact O-N 3.16Å; S384-L387 VanDerWaalsContact OG-CB 3.23Å; S384-L387 WeakPolarHBondContact OG-CB 3.34Å; S384-L387 PolarHBondContact OG-N 3.4Å; V385-L387 VanDerWaalsContact C-N 3.32Å; V385-L387 PolarHBondContact O-N 2.95Å; L387-Q390 PolarHBondContact O-N 2.82Å; L387-L391 HydrophobicContact CD1-CG 4.35Å; L387-L391 HydrophobicContact CG-CD1 4.34Å; L387-L391 VanDerWaalsContact O-CG 3.28Å; L387-L391 WeakPolarHBondContact O-CG 3.43Å; L387-L391 PolarHBondContact O-N 3.41Å
388T74.7Confident73Confident64 Ų6494.3 Ų94.339%0.39344%0.441SS..Hα-helixtrans-62.1-45.8176.8-52.20000110.3S384 V385 Q390 L391 M392S384-T388 PolarHBondContact O-N 3.5Å; S384-T388 PolarHBondContact O-OG1 3.22Å; V385-T388 WeakPolarHBondContact O-CB 3.43Å; V385-T388 PolarHBondContact O-N 3.3Å; V385-T388 VanDerWaalsContact O-N 3.09Å; T388-Q390 PolarHBondContact O-N 2.9Å; T388-L391 PolarHBondContact O-N 3.3Å; T388-M392 WeakPolarHBondContact O-CG 3.35Å; T388-M392 PolarHBondContact O-N 3.03Å
389E78.6Confident72.4Confident96 Ų9694.2 Ų94.245%0.44945%0.447SS..Hα-helixtrans-60.3-43.4174.5-72-177.2-173.500112.4V385 E386 M392 R393V385-E389 HydrophobicContact CG1-CG 4.49Å; V385-E389 WeakPolarHBondContact O-CG 3.36Å; V385-E389 PolarHBondContact O-N 3.25Å; E386-E389 PolarHBondContact O-N 2.82Å; E389-M392 PolarHBondContact O-N 2.81Å; E389-R393 WeakPolarHBondContact O-CG 3.4Å; E389-R393 PolarHBondContact O-N 3.37Å; E389-R393 IonicContact OE2-NH2 2.74Å
390Q79.1Confident72.3Confident91 Ų9192.2 Ų92.243%0.42545%0.447SS..Hα-helixtrans-61.3-45.9176.9-175.3-177.7-8.900111.6E386 L387 T388 M392 R393 E394E386-Q390 PolarHBondContact O-N 2.84Å; L387-Q390 PolarHBondContact O-N 2.82Å; T388-Q390 PolarHBondContact O-N 2.9Å; Q390-M392 VanDerWaalsContact C-N 3.3Å; Q390-M392 PolarHBondContact O-N 3.06Å; Q390-R393 PolarHBondContact O-N 2.76Å; Q390-E394 PolarHBondContact NE2-OE1 3.04Å; Q390-E394 VanDerWaalsContact NE2-OE1 3.1Å; Q390-E394 WeakPolarHBondContact O-CG 3.38Å; Q390-E394 PolarHBondContact O-N 3.19Å
391L78.3Confident72.1Confident45 Ų4593.1 Ų93.124%0.23645%0.449CS..Hα-helixtrans-61.9-38.9177.5-71.2177.3000111.9K242 E383 L387 T388 E394 K395K242-L391 HydrophobicContact CD-CD2 3.69Å; E383-L391 VanDerWaalsContact OE2-CD1 3.24Å; E383-L391 WeakPolarHBondContact OE2-CD1 3.29Å; L387-L391 HydrophobicContact CD1-CG 4.35Å; L387-L391 HydrophobicContact CG-CD1 4.34Å; L387-L391 VanDerWaalsContact O-CG 3.28Å; L387-L391 WeakPolarHBondContact O-CG 3.43Å; L387-L391 PolarHBondContact O-N 3.41Å; T388-L391 PolarHBondContact O-N 3.3Å; L391-E394 PolarHBondContact O-N 3.21Å; L391-K395 WeakPolarHBondContact O-CB 3.43Å; L391-K395 PolarHBondContact O-N 3.44Å
392M77.4Confident71.4Confident107 Ų10795.4 Ų95.453%0.52747%0.468SS..Hα-helixtrans-64.8-43176.7-68.7-68.1-79.900111.6T388 E389 Q390 K395 Q396T388-M392 WeakPolarHBondContact O-CG 3.35Å; T388-M392 PolarHBondContact O-N 3.03Å; E389-M392 PolarHBondContact O-N 2.81Å; Q390-M392 VanDerWaalsContact C-N 3.3Å; Q390-M392 PolarHBondContact O-N 3.06Å; M392-K395 PolarHBondContact O-N 2.89Å; M392-Q396 WeakPolarHBondContact O-CG 3.44Å; M392-Q396 PolarHBondContact O-N 2.89Å
393R80.4Confident70.9Confident165 Ų16598 Ų9862%0.62349%0.488SS*.Hα-helixtrans-64-43.1175.7-69.1174.9-168.6173.89.1112.3E389 Q390 K395 Q396 K397E389-R393 WeakPolarHBondContact O-CG 3.4Å; E389-R393 PolarHBondContact O-N 3.37Å; E389-R393 IonicContact OE2-NH2 2.74Å; Q390-R393 PolarHBondContact O-N 2.76Å; R393-K395 VanDerWaalsContact C-N 3.34Å; R393-K395 PolarHBondContact O-N 3.3Å; R393-Q396 PolarHBondContact O-N 2.94Å; R393-K397 PolarHBondContact O-N 3.4Å
394E77.8Confident69.9Low68 Ų6898.2 Ų98.232%0.31851%0.505SS..Hα-helixtrans-65.6-36.5177.2-73.8179-169.100112.4K242 Q390 L391 K397 K398K242-E394 IonicContact NZ-OE2 2.59Å; K242-E394 PolarHBondContact NZ-OE2 2.79Å; Q390-E394 PolarHBondContact NE2-OE1 3.04Å; Q390-E394 VanDerWaalsContact NE2-OE1 3.1Å; Q390-E394 WeakPolarHBondContact O-CG 3.38Å; Q390-E394 PolarHBondContact O-N 3.19Å; L391-E394 PolarHBondContact O-N 3.21Å; E394-K397 PolarHBondContact O-N 3.11Å; E394-K398 PolarHBondContact O-N 3.11Å
395K76.6Confident68.4Low157 Ų157105.6 Ų105.668%0.68354%0.538SS*.Hα-helixtrans-67.1-43.3176.1-170.7179.7178.5-173.90111.7L391 M392 R393 K397 K398 S399L391-K395 WeakPolarHBondContact O-CB 3.43Å; L391-K395 PolarHBondContact O-N 3.44Å; M392-K395 PolarHBondContact O-N 2.89Å; R393-K395 VanDerWaalsContact C-N 3.34Å; R393-K395 PolarHBondContact O-N 3.3Å; K395-K397 VanDerWaalsContact C-N 3.29Å; K395-K397 PolarHBondContact O-N 3.42Å; K395-K398 PolarHBondContact O-N 2.85Å; K395-S399 PolarHBondContact O-N 3.01Å; K395-S399 PolarHBondContact O-OG 3.39Å
396Q75.6Confident66.7Low128 Ų128109.1 Ų109.160%0.59855%0.547SS*.Hα-helixtrans-61.8-37.8174.8-73.3173.8-2.500112M392 R393 S399 A400M392-Q396 WeakPolarHBondContact O-CG 3.44Å; M392-Q396 PolarHBondContact O-N 2.89Å; R393-Q396 PolarHBondContact O-N 2.94Å; Q396-S399 WeakPolarHBondContact CA-OG 3.23Å; Q396-S399 PolarHBondContact O-OG 3.27Å; Q396-A400 PolarHBondContact O-N 3.07Å; Q396-A400 VanDerWaalsContact O-N 3.15Å
397K72.3Confident64.7Low135 Ų135109 Ų10959%0.58755%0.55SS**Hα-helixtrans-66.8-43.8175.5-168.1177.6179-175.50112.2R393 E394 K395 A400 E401R393-K397 PolarHBondContact O-N 3.4Å; E394-K397 PolarHBondContact O-N 3.11Å; K395-K397 VanDerWaalsContact C-N 3.29Å; K395-K397 PolarHBondContact O-N 3.42Å; K397-A400 PolarHBondContact O-N 3.44Å; K397-E401 VanDerWaalsContact CE-OE1 3.24Å; K397-E401 WeakPolarHBondContact CE-OE1 3.47Å; K397-E401 WeakPolarHBondContact O-CG 2.98Å; K397-E401 PolarHBondContact O-N 3.02Å; K397-E401 VanDerWaalsContact O-N 3.08Å
398K68.1Low63Low127 Ų127117.1 Ų117.155%0.55259%0.589SS**Hα-helixtrans-64.5-38.3176.6-78.4-178.2178.6179.50113.1E394 K395 A400 E401 D402E394-K398 PolarHBondContact O-N 3.11Å; K395-K398 PolarHBondContact O-N 2.85Å; K398-A400 VanDerWaalsContact C-N 3.34Å; K398-E401 PolarHBondContact O-N 3.07Å; K398-D402 WeakPolarHBondContact O-CB 3.42Å; K398-D402 PolarHBondContact O-N 3.34Å; K398-D402 VanDerWaalsContact O-N 3.09Å
399S63.3Low61.5Low59 Ų59120.9 Ų120.941%0.41361%0.606SS.*Hα-helixtrans-65.3-38.4174.548.40000111.9K395 Q396 E401 D402 D403K395-S399 PolarHBondContact O-N 3.01Å; K395-S399 PolarHBondContact O-OG 3.39Å; Q396-S399 WeakPolarHBondContact CA-OG 3.23Å; Q396-S399 PolarHBondContact O-OG 3.27Å; S399-E401 VanDerWaalsContact C-N 3.29Å; S399-E401 PolarHBondContact O-N 3.25Å; S399-D402 PolarHBondContact O-N 3.44Å; S399-D403 PolarHBondContact O-N 3.32Å; S399-D403 VanDerWaalsContact O-N 3.16Å
400A62.3Low59.7Low70 Ų70120.9 Ų120.958%0.57961%0.609SS**Hα-helixtrans-69.6-25176.700000113.7Q396 K397 K398Q396-A400 PolarHBondContact O-N 3.07Å; Q396-A400 VanDerWaalsContact O-N 3.15Å; K397-A400 PolarHBondContact O-N 3.44Å; K398-A400 VanDerWaalsContact C-N 3.34Å
401E55.3Low58.1Low125 Ų125121.3 Ų121.358%0.58462%0.62SS**Hα-helixtrans-82.8-28.7175.6-72.7171.5178.800112.5K397 K398 S399K397-E401 VanDerWaalsContact CE-OE1 3.24Å; K397-E401 WeakPolarHBondContact CE-OE1 3.47Å; K397-E401 WeakPolarHBondContact O-CG 2.98Å; K397-E401 PolarHBondContact O-N 3.02Å; K397-E401 VanDerWaalsContact O-N 3.08Å; K398-E401 PolarHBondContact O-N 3.07Å; S399-E401 VanDerWaalsContact C-N 3.29Å; S399-E401 PolarHBondContact O-N 3.25Å
402D50.7Low56.3Low137 Ų137122.7 Ų122.773%0.73364%0.637SS**Hα-helixtrans-80.5-31.6179.2-157.939.2000112.4K398 S399 G404K398-D402 WeakPolarHBondContact O-CB 3.42Å; K398-D402 PolarHBondContact O-N 3.34Å; K398-D402 VanDerWaalsContact O-N 3.09Å; S399-D402 PolarHBondContact O-N 3.44Å; D402-G404 PolarHBondContact O-N 3.31Å; D402-G404 VanDerWaalsContact O-N 3.15Å
403D52.1Low54.4Low146 Ų146120.5 Ų120.578%0.78164%0.636SS**THydrogen-bonded Turntrans-71.1-0.7172.4-74.3-42.4000113.4S399S399-D403 PolarHBondContact O-N 3.32Å; S399-D403 VanDerWaalsContact O-N 3.16Å
404G50.6Low52.6Low60 Ų60119.4 Ų119.462%0.61964%0.638SS**THydrogen-bonded Turntrans-90.8-0-177.600000116.3D402D402-G404 PolarHBondContact O-N 3.31Å; D402-G404 VanDerWaalsContact O-N 3.15Å
405Q40.5Very low50.7Low171 Ų171119.3 Ų119.380%0.79965%0.649SS**SBendtrans-134.5101178.3-80.5-179.2-21.900112.5
406E36.7Very low48.8Very low183 Ų183114.9 Ų114.986%0.85564%0.642SS**  trans65.7124.2157.3-70-174.5-171.300116.9
407L33.8Very low46.9Very low150 Ų150111.7 Ų111.779%0.78564%0.637SS**  cis-164.1163.223-92.2148.5000110.1
408E38Very low45.2Very low176 Ų176108.2 Ų108.282%0.82263%0.634SS**  trans-42.7121.1174.3-62.4177.1158.400116.8
409D44.2Very low43.6Very low143 Ų143105.1 Ų105.177%0.76563%0.632SS**  73.692.4124.8-77.7-39.7000121.9
410D40.8Very low42.2Very low96 Ų96104.9 Ų104.951%0.51363%0.634SS.*  trans-144.2102.9138.9-164.5-35.9000110.6A412 A413D410-A412 PolarHBondContact O-N 2.92Å; D410-A412 WeakPolarHBondContact OD1-CB 3.32Å; D410-A412 PolarHBondContact OD1-N 3.16Å; D410-A413 PolarHBondContact O-N 3.47Å
411P45.3Very low40.9Very low100 Ų100104 Ų10465%0.64963%0.626SS**Hα-helixtrans-68.5-12.6-176.224.8-31.4000113.8
412A40.1Very low39.8Very low73 Ų73100.6 Ų100.660%0.60362%0.62SS**Hα-helixtrans-81.7-30.3178.800000112.6D410D410-A412 PolarHBondContact O-N 2.92Å; D410-A412 WeakPolarHBondContact OD1-CB 3.32Å; D410-A412 PolarHBondContact OD1-N 3.16Å
413A38.2Very low38.8Very low61 Ų6197.4 Ų97.450%0.50461%0.608SS.*Hα-helixtrans-77.1-34.3178.700000112.6D410 A416 A417D410-A413 PolarHBondContact O-N 3.47Å; A413-A416 PolarHBondContact O-N 3.4Å; A413-A417 PolarHBondContact O-N 3.31Å
414Q41.8Very low38Very low142 Ų14297.5 Ų97.566%0.66460%0.604SS**Hα-helixtrans-69.5-35178.7-74.6177.3-9.100112.8A417 A418Q414-A417 PolarHBondContact O-N 3.39Å; Q414-A418 VanDerWaalsContact O-CB 3.28Å; Q414-A418 WeakPolarHBondContact O-CB 3.28Å; Q414-A418 PolarHBondContact O-N 3.29Å
415A37.9Very low37.1Very low66 Ų6698.4 Ų98.455%0.54560%0.597SS.*Hα-helixtrans-67.1-36.7174.900000112.4A419A415-A419 VanDerWaalsContact O-CB 3.3Å; A415-A419 WeakPolarHBondContact O-CB 3.4Å; A415-A419 PolarHBondContact O-N 3.21Å
416A36.7Very low36.6Very low64 Ų6496.6 Ų96.653%0.52959%0.589SS.*Hα-helixtrans-72.2-37.4176.600000112.5A413 A420A413-A416 PolarHBondContact O-N 3.4Å; A416-A420 WeakPolarHBondContact O-CB 3.48Å; A416-A420 PolarHBondContact O-N 2.72Å
417A36.5Very low36.3Very low61 Ų6193 Ų9350%0.50458%0.579SS.*Hα-helixtrans-70.8-39.7176.100000112.5A413 Q414 A420 A421A413-A417 PolarHBondContact O-N 3.31Å; Q414-A417 PolarHBondContact O-N 3.39Å; A417-A420 PolarHBondContact O-N 2.97Å; A417-A421 WeakPolarHBondContact O-CB 3.43Å; A417-A421 PolarHBondContact O-N 3.41Å
418A36Very low36.3Very low62 Ų6292.9 Ų92.951%0.51257%0.574SS.*Hα-helixtrans-66.1-37.9173.900000112Q414 A422Q414-A418 VanDerWaalsContact O-CB 3.28Å; Q414-A418 WeakPolarHBondContact O-CB 3.28Å; Q414-A418 PolarHBondContact O-N 3.29Å; A418-A422 WeakPolarHBondContact O-CB 3.4Å; A418-A422 PolarHBondContact O-N 3.41Å
419A34.9Very low35.8Very low62 Ų6289.5 Ų89.551%0.51256%0.562SS.*Hα-helixtrans-67.4-38.1173.800000112.5A415 S423A415-A419 VanDerWaalsContact O-CB 3.3Å; A415-A419 WeakPolarHBondContact O-CB 3.4Å; A415-A419 PolarHBondContact O-N 3.21Å; A419-S423 VanDerWaalsContact O-CB 3.3Å; A419-S423 WeakPolarHBondContact O-CB 3.4Å; A419-S423 PolarHBondContact O-N 2.9Å
420A33.7Very low35.1Very low54 Ų5485.9 Ų85.945%0.44654%0.544SS..Hα-helixtrans-69.9-38.1175.700000112.7A416 A417 S423 Q424A416-A420 WeakPolarHBondContact O-CB 3.48Å; A416-A420 PolarHBondContact O-N 2.72Å; A417-A420 PolarHBondContact O-N 2.97Å; A420-S423 PolarHBondContact O-N 3.05Å; A420-Q424 PolarHBondContact O-N 3.19Å
421A34.8Very low34.6Very low51 Ų5183.6 Ų83.642%0.42154%0.543SS..Hα-helixtrans-70.4-40.7175.300000112A417 S423 Q424 V425A417-A421 WeakPolarHBondContact O-CB 3.43Å; A417-A421 PolarHBondContact O-N 3.41Å; A421-S423 VanDerWaalsContact C-N 3.32Å; A421-S423 PolarHBondContact O-N 3.16Å; A421-Q424 PolarHBondContact O-N 3.38Å; A421-V425 WeakPolarHBondContact O-CG2 3.38Å; A421-V425 PolarHBondContact O-N 3.27Å
422A31.5Very low34.1Very low54 Ų5483.8 Ų83.845%0.44654%0.543SS..Hα-helixtrans-62.3-39.8171.900000111.4A418 Q424 V425 Q426A418-A422 WeakPolarHBondContact O-CB 3.4Å; A418-A422 PolarHBondContact O-N 3.41Å; A422-Q424 PolarHBondContact O-N 3.15Å; A422-V425 PolarHBondContact O-N 3.34Å; A422-Q426 VanDerWaalsContact O-CB 3.22Å; A422-Q426 WeakPolarHBondContact O-CB 3.21Å; A422-Q426 PolarHBondContact O-N 3.08Å
423S31Very low33.4Very low71 Ų7185 Ų8550%0.49754%0.539SS..Hα-helixtrans-67-34175.4-166.80000113A419 A420 A421 V427A419-S423 VanDerWaalsContact O-CB 3.3Å; A419-S423 WeakPolarHBondContact O-CB 3.4Å; A419-S423 PolarHBondContact O-N 2.9Å; A420-S423 PolarHBondContact O-N 3.05Å; A421-S423 VanDerWaalsContact C-N 3.32Å; A421-S423 PolarHBondContact O-N 3.16Å; S423-V427 WeakPolarHBondContact O-CG2 3.48Å; S423-V427 PolarHBondContact O-N 3.01Å
424Q34.1Very low33Very low148 Ų14886.8 Ų86.869%0.69254%0.539SS*.Hα-helixtrans-72.5-37.7174.6-81.1-177.5-0.100112.9A420 A421 A422 V427 Q428A420-Q424 PolarHBondContact O-N 3.19Å; A421-Q424 PolarHBondContact O-N 3.38Å; A422-Q424 PolarHBondContact O-N 3.15Å; Q424-V427 PolarHBondContact O-N 3.38Å; Q424-Q428 PolarHBondContact O-N 3.09Å; Q424-Q428 VanDerWaalsContact O-N 3.15Å
425V32.7Very low32.7Very low78 Ų7887.9 Ų87.947%0.47354%0.544SS..Hα-helixtrans-69.8-36.7174.9173.30000110.9A421 A422 Q428 L429A421-V425 WeakPolarHBondContact O-CG2 3.38Å; A421-V425 PolarHBondContact O-N 3.27Å; A422-V425 PolarHBondContact O-N 3.34Å; V425-Q428 WeakPolarHBondContact O-CB 3.4Å; V425-Q428 PolarHBondContact O-N 3.12Å; V425-Q428 VanDerWaalsContact O-N 3.16Å; V425-L429 HydrophobicContact CG1-CD1 3.95Å; V425-L429 PolarHBondContact O-N 3.17Å
426Q29Very low32.4Very low134 Ų13492.1 Ų92.163%0.62655%0.553SS**Hα-helixtrans-69.6-34.2175.8-159.6157.30.400111.9A422 Q428 L429 T430A422-Q426 VanDerWaalsContact O-CB 3.22Å; A422-Q426 WeakPolarHBondContact O-CB 3.21Å; A422-Q426 PolarHBondContact O-N 3.08Å; Q426-Q428 VanDerWaalsContact C-N 3.3Å; Q426-Q428 PolarHBondContact O-N 2.98Å; Q426-L429 PolarHBondContact O-N 2.87Å; Q426-T430 VanDerWaalsContact O-CB 3.29Å; Q426-T430 WeakPolarHBondContact O-CB 3.47Å; Q426-T430 PolarHBondContact O-N 3.32Å; Q426-T430 PolarHBondContact O-OG1 3.21Å
427V31Very low32Very low106 Ų10696.4 Ų96.464%0.64256%0.562SS**Hα-helixtrans-65.7-32.7169.6170.90000111.8S423 Q424 G431S423-V427 WeakPolarHBondContact O-CG2 3.48Å; S423-V427 PolarHBondContact O-N 3.01Å; Q424-V427 PolarHBondContact O-N 3.38Å; V427-G431 PolarHBondContact O-N 3.24Å
428Q33.7Very low31.6Very low148 Ų148103.9 Ų103.969%0.69258%0.577SS**Hα-helixtrans-71.4-35.4174.8-115.2172.2-3.400113.5Q424 V425 Q426 V432Q424-Q428 PolarHBondContact O-N 3.09Å; Q424-Q428 VanDerWaalsContact O-N 3.15Å; V425-Q428 WeakPolarHBondContact O-CB 3.4Å; V425-Q428 PolarHBondContact O-N 3.12Å; V425-Q428 VanDerWaalsContact O-N 3.16Å; Q426-Q428 VanDerWaalsContact C-N 3.3Å; Q426-Q428 PolarHBondContact O-N 2.98Å; Q428-V432 WeakPolarHBondContact O-CG2 3.36Å
429L28.3Very low31.4Very low106 Ų106106.8 Ų106.856%0.55559%0.589SS**Hα-helixtrans-81.4-33.8175.6-92.8134.7000113.1V425 Q426 G431 V432 L433V425-L429 HydrophobicContact CG1-CD1 3.95Å; V425-L429 PolarHBondContact O-N 3.17Å; Q426-L429 PolarHBondContact O-N 2.87Å; L429-G431 VanDerWaalsContact C-N 3.31Å; L429-G431 PolarHBondContact O-N 3.23Å; L429-V432 PolarHBondContact O-N 3.33Å; L429-V432 VanDerWaalsContact O-N 3.16Å; L429-L433 PolarHBondContact O-N 3.47Å
430T28.1Very low31.3Very low66 Ų66112.9 Ų112.941%0.40561%0.606SS.*Hα-helixtrans-71.5-28178.3-44.10000111.6Q426 V432 L433 L434Q426-T430 VanDerWaalsContact O-CB 3.29Å; Q426-T430 WeakPolarHBondContact O-CB 3.47Å; Q426-T430 PolarHBondContact O-N 3.32Å; Q426-T430 PolarHBondContact O-OG1 3.21Å; T430-V432 VanDerWaalsContact C-N 3.26Å; T430-V432 PolarHBondContact O-N 3.35Å; T430-L433 PolarHBondContact O-N 3.12Å; T430-L434 HydrophobicContact CG2-CD1 3.77Å; T430-L434 HydrophobicContact CG2-CG 4.24Å; T430-L434 WeakPolarHBondContact O-CB 3.24Å; T430-L434 WeakPolarHBondContact O-CG 3.36Å; T430-L434 PolarHBondContact O-N 3.43Å
431G30.5Very low30.9Very low48 Ų48119.6 Ų119.650%0.49563%0.629SS.*Hα-helixtrans-70.5-17.3171.300000114.6V427 L429V427-G431 PolarHBondContact O-N 3.24Å; L429-G431 VanDerWaalsContact C-N 3.31Å; L429-G431 PolarHBondContact O-N 3.23Å
432V34.7Very low30.5Very low104 Ų104123.5 Ų123.563%0.6365%0.648SS**Hα-helixtrans-89.2-26.7176.9176.20000111.5Q428 L429 T430Q428-V432 WeakPolarHBondContact O-CG2 3.36Å; L429-V432 PolarHBondContact O-N 3.33Å; L429-V432 VanDerWaalsContact O-N 3.16Å; T430-V432 VanDerWaalsContact C-N 3.26Å; T430-V432 PolarHBondContact O-N 3.35Å
433L26.9Very low30.3Very low100 Ų100127 Ų12752%0.52467%0.666SS.*Hα-helixtrans-94-17.5-179.4-84.4153.9000114.8L429 T430L429-L433 PolarHBondContact O-N 3.47Å; T430-L433 PolarHBondContact O-N 3.12Å
434L30.2Very low30.1Very low98 Ų98130.3 Ų130.351%0.51368%0.683SS.*SBendtrans-87.9-9.8-177.7-78172.1000115T430T430-L434 HydrophobicContact CG2-CD1 3.77Å; T430-L434 HydrophobicContact CG2-CG 4.24Å; T430-L434 WeakPolarHBondContact O-CB 3.24Å; T430-L434 WeakPolarHBondContact O-CG 3.36Å; T430-L434 PolarHBondContact O-N 3.43Å
435E33.7Very low29.7Very low164 Ų164133.3 Ų133.377%0.76669%0.688SS**SBendtrans-86.9-18.1171.7-75.8-170.716100112.7
436E32.7Very low29.3Very low155 Ų155136.1 Ų136.172%0.72471%0.706SS**SBendtrans-85.7-9.5175.2-69.1-172140.100113.8
437Q28.8Very low29.2Very low154 Ų154136.8 Ų136.872%0.7271%0.709SS**SBendtrans-110.47.5-178.2-71.8-174.3-10.600114.8
438R28.4Very low28.9Very low218 Ų218141 Ų14182%0.82372%0.722SS**SBendtrans-103.620.1179.4-146-170.7-78-119.90.1114.7
439T31.3Very low28.5Very low124 Ų124137.9 Ų137.976%0.76173%0.729SS**SBendtrans-129.250.6169.353.60000111.6
440E31.7Very low28.4Very low189 Ų189136.4 Ų136.488%0.88374%0.739SS**  trans-139.784.2158.2-71.7-160.3158.400108.9
441E26.8Very low28.3Very low195 Ų195142.2 Ų142.291%0.91176%0.761SS**  trans-109123.9157.3-75.8-168.1168.600108.8
442T26.3Very low28.1Very low134 Ų134146 Ų14682%0.82278%0.775SS**PPolyproline II helixtrans-57.4144.9180440000113.6
443P26.9Very low27.6Very low127 Ų127150.5 Ų150.583%0.82579%0.789SS**PPolyproline II helixtrans-84.1126.4-178.632.9-30.9000111.8
444T25.7Very low27.5Very low141 Ų141153.4 Ų153.487%0.86581%0.805SS**PPolyproline II helixtrans-82.2122.3158.741.10000110
445R26.4Very low27.2Very low210 Ų210154.8 Ų154.879%0.79281%0.81SS**PPolyproline II helixtrans-59.4121.8178.8-178.7-179.1172.7-179.3-2.6113.1E447R445-E447 IonicContact NE-OE1 2.86Å; R445-E447 IonicContact NH2-OE1 2.63Å; R445-E447 PolarHBondContact NH2-OE1 3.01Å
446T24.8Very low26.7Very low138 Ų138154.4 Ų154.485%0.84781%0.813SS**  trans-143.3137.1146.737.70000108.9
447E26.5Very low26.3Very low148 Ų148155.5 Ų155.569%0.69281%0.812SS**  trans-77.2164.8-165.7-67.8169.6169.300113.7R445R445-E447 IonicContact NE-OE1 2.86Å; R445-E447 IonicContact NH2-OE1 2.63Å; R445-E447 PolarHBondContact NH2-OE1 3.01Å
448E25.1Very low26.2Very low195 Ų195153.3 Ų153.391%0.91181%0.809SS**  trans105.8108160-57.2-167.5160.900118.6
449G24.4Very low26.2Very low82 Ų82151 Ų15185%0.84581%0.811SS**  104.679.5125.900000120.1
450G27.3Very low26.1Very low74 Ų74151.1 Ų151.176%0.76381%0.812SS**  trans92.1143.4136.400000119.5
451Q25.2Very low25.8Very low188 Ų188145.2 Ų145.288%0.87980%0.802SS**  trans109.4121155.4-68.3-172.1-11.500120
452V25.7Very low25.8Very low128 Ų128143.4 Ų143.478%0.77680%0.799SS**  trans68.4106.1134.6-168.40000117.5D454V452-D454 PolarHBondContact O-N 3.28Å
453E24.9Very low26.1Very low198 Ų198145.7 Ų145.793%0.92580%0.8SS**  trans-70.3104.1171.1-73176.2148.500111.1
454D24.1Very low26.3Very low162 Ų162146.8 Ų146.887%0.86680%0.799SS**  trans-104102.3164.3-150.36.9000107.6V452 L456V452-D454 PolarHBondContact O-N 3.28Å; D454-L456 PolarHBondContact O-N 2.9Å
455M24.7Very low26.5Very low126 Ų126145.4 Ų145.462%0.62180%0.795SS**  trans-89.399.7-169.7-167.3167.338.300110.1Y457M455-Y457 HydrophobicContact CB-CE2 4.34Å; M455-Y457 HydrophobicContact CE-CE2 3.51Å; M455-Y457 WeakPolarHBondContact CE-OH 3.19Å; M455-Y457 HydrophobicContact CG-CD2 4.3Å; M455-Y457 HydrophobicContact CG-CE2 3.83Å; M455-Y457 PolarHBondContact O-N 3.05Å; M455-Y457 HydrophobicContact SD-CE1 4.4Å; M455-Y457 HydrophobicContact SD-CE2 3.94Å; M455-Y457 PolarHBondContact SD-OH 3.3Å
456L23.1Very low26.7Very low156 Ų156141 Ų14182%0.81779%0.791SS**  trans-73.6101.3175.5-156.288.8000109.8D454 V458D454-L456 PolarHBondContact O-N 2.9Å; L456-V458 HydrophobicContact CD2-CG2 4.26Å; L456-V458 PolarHBondContact O-N 2.75Å
457Y25.1Very low27.1Very low179 Ų179140.7 Ų140.770%0.70278%0.783SS**  trans-83.3102.9172.4-75-81.1000110.6M455M455-Y457 HydrophobicContact CB-CE2 4.34Å; M455-Y457 HydrophobicContact CE-CE2 3.51Å; M455-Y457 WeakPolarHBondContact CE-OH 3.19Å; M455-Y457 HydrophobicContact CG-CD2 4.3Å; M455-Y457 HydrophobicContact CG-CE2 3.83Å; M455-Y457 PolarHBondContact O-N 3.05Å; M455-Y457 HydrophobicContact SD-CE1 4.4Å; M455-Y457 HydrophobicContact SD-CE2 3.94Å; M455-Y457 PolarHBondContact SD-OH 3.3Å
458V26.7Very low27.5Very low108 Ų108141 Ų14166%0.65579%0.789SS**  trans-82.4114.3164.9179.40000107.4L456 T460L456-V458 HydrophobicContact CD2-CG2 4.26Å; L456-V458 PolarHBondContact O-N 2.75Å; V458-T460 PolarHBondContact O-N 3.34Å
459L27.8Very low27.9Very low168 Ų168140.3 Ų140.388%0.8879%0.785SS**  trans-80.297.7171-69.1174.1000108.8G461L459-G461 PolarHBondContact O-N 3.11Å
460T28.6Very low28.2Very low127 Ų127143.4 Ų143.478%0.77978%0.782SS**  trans-76.1106.4156.849.80000107.5V458V458-T460 PolarHBondContact O-N 3.34Å
461G26.3Very low28.6Very low65 Ų65148.2 Ų148.267%0.6779%0.785SS**  trans-95.5118.8172.500000109.9L459 E463L459-G461 PolarHBondContact O-N 3.11Å; G461-E463 PolarHBondContact O-N 3.32Å
462D25.9Very low29.2Very low158 Ų158142.9 Ų142.985%0.84578%0.78SS**  trans-52.8124.1177.9-66.6-51000112.7D464D462-D464 VanDerWaalsContact C-N 3.31Å; D462-D464 PolarHBondContact O-N 3.36Å
463E32.9Very low29.5Very low181 Ų181141.4 Ų141.485%0.84678%0.781SS**G310 helixtrans-80.11.2-178.6-71.4-172.4119.200114.6G461G461-E463 PolarHBondContact O-N 3.32Å
464D30.9Very low29.8Very low151 Ų151136.7 Ų136.781%0.80778%0.776SS**G310 helixtrans-101.39.1-165.6-86.9-26.2000117.2D462D462-D464 VanDerWaalsContact C-N 3.31Å; D462-D464 PolarHBondContact O-N 3.36Å
465S30.2Very low30.4Very low111 Ų111137.8 Ų137.878%0.77678%0.776SS**G310 helixtrans-107.12.2-179.3-161.10000116.2
466V31.3Very low31.1Very low118 Ų118140.6 Ų140.672%0.71579%0.787SS**SBendtrans-108.1-9-177-175.70000113.5
467I33.1Very low31.6Very low132 Ų132142.6 Ų142.668%0.67779%0.793SS**THydrogen-bonded Turntrans-88.7-5.2-177.8-66.9-174.3000114.1
468L33.8Very low31.9Very low154 Ų154137.9 Ų137.981%0.80680%0.798SS**THydrogen-bonded Turntrans-103.814.3-177.6-105.8152.1000116.1
469Q33.8Very low31.9Very low180 Ų180141.3 Ų141.384%0.84181%0.809SS**SBendtrans-119.53.4174-81.1-173.8-21.400115.5
470L31.8Very low32.1Very low148 Ų148142.5 Ų142.578%0.77581%0.81SS**SBendtrans-107.92179-72.2170.7000115.2
471Q34Very low32.1Very low175 Ų175142.3 Ų142.382%0.81881%0.809SS**SBendtrans-96.12.1174.5-76.9-178.7-1700114.7
472G37.8Very low32.4Very low76 Ų76150.2 Ų150.278%0.78484%0.836SS**SBendtrans-96.3-6.2-179.300000116.5
473A32.7Very low32.7Very low96 Ų96149.9 Ų149.979%0.79384%0.835SS**SBendtrans-11611.9-167.800000115.1
474A31.7Very low32.7Very low99 Ų99148.2 Ų148.282%0.81884%0.835SS**SBendtrans-113.724.8-179.100000113.7
475Q36.6Very low32.8Very low185 Ų185148.1 Ų148.186%0.86484%0.836SS**SBendtrans-134.240.8-178.1-143163.924.400113.2
476Q38.2Very low32.9Very low186 Ų186150.2 Ų150.287%0.86984%0.84SS**SBendtrans-14853168.7-70.8-168.22.500112.7
477Q34.7Very low33Very low198 Ų198152.3 Ų152.393%0.92585%0.848SS**  trans-147.984.1151.4-69.9-160.9-300108.3
478G31.1Very low33Very low79 Ų79153.6 Ų153.681%0.81486%0.859SS**  trans-74.9125.5169.300000110.3
479M27.9Very low33Very low180 Ų180153.6 Ų153.689%0.88786%0.863SS**  trans-136.4111.3154.1-81.7-175.862.300107.8
480Q31.9Very low32.9Very low193 Ų193151.5 Ų151.590%0.90286%0.864SS**  trans-66.5141.7166-82.7170.3-25.100109.7
481V27.9Very low33Very low123 Ų123151.8 Ų151.875%0.74587%0.872SS**  trans-136.6117.4151.8-165.80000107.2
482D31.5Very low32.9Very low232 Ų232149.7 Ų149.7100%1.24188%0.877SS**  trans61.20172.6-64.6-44.3000120.7

Retrieved 482 of 482 residues in 822.4 ms (Link to these results)

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