Q9HWQ3_PSEAE Loading...

HpcH/HpaI aldolase/citrate lyase domain-containing protein

AlphaFold DB , UniProt , Accession Q9HWQ3, Species PSEAE (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)), Gene n/a, Length 268 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
1M87.1Confident95Very high149 Ų14970.6 Ų70.673%0.73434%0.342SS*.  0146.70-72.4-79.8-84.300107.8R130 S133 V134M1-R130 HydrophobicContact CE-CG 4.16Å; M1-S133 WeakPolarHBondContact CB-O 3.26Å; M1-S133 PolarHBondContact N-O 3.15Å; M1-S133 VanDerWaalsContact N-O 3.08Å; M1-V134 HydrophobicContact CB-CG2 4.12Å
2D92.2Very high95Very high150 Ų15066.2 Ų66.280%0.80232%0.321SS*.PPolyproline II helixtrans-79.6154.1177-57.8-35.5000111.4
3L93.4Very high94.5Very high41 Ų4175.1 Ų75.122%0.21535%0.349CS..PPolyproline II helixtrans-63.4128.3171.8-178.871.4000109.5V5 V134 Y137 H140 Q144L3-V5 PolarHBondContact O-N 2.85Å; L3-V134 HydrophobicContact CB-CG1 4.08Å; L3-V134 HydrophobicContact CD1-CG1 4.15Å; L3-Y137 HydrophobicContact CD1-CD2 3.5Å; L3-Y137 HydrophobicContact CD1-CE2 3.74Å; L3-H140 HydrophobicContact CD2-CB 3.6Å; L3-Q144 HydrophobicContact CD2-CG 3.74Å; L3-Q144 HydrophobicContact CG-CG 4.19Å
4P93.7Very high94Very high34 Ų3475.4 Ų75.422%0.22136%0.364CS..PPolyproline II helixtrans-59.6125.6173.6-23.834.5000111.3Q91P4-Q91 PolarHBondContact O-NE2 3.04Å
5V96.4Very high93.1Very high69 Ų6974.5 Ų74.542%0.41838%0.382SS..PPolyproline II helixtrans-91.6126.9-179177.90000110.3L3 R7L3-V5 PolarHBondContact O-N 2.85Å; V5-R7 PolarHBondContact O-N 3.38Å; V5-R7 VanDerWaalsContact O-N 3.15Å
6N97.6Very high92.9Very high1 Ų175.6 Ų75.61%0.00539%0.385CS..  trans-82.391.5176.9-172.2-22.4000110.7F8 K9 Q10 Q91 T92 Q144 C146N6-F8 VanDerWaalsContact C-N 3.32Å; N6-F8 PolarHBondContact O-N 3.22Å; N6-F8 WeakPolarHBondContact OD1-CB 3.3Å; N6-F8 PolarHBondContact OD1-N 3.15Å; N6-K9 HydrophobicContact CB-CB 4.09Å; N6-K9 PolarHBondContact O-N 3.46Å; N6-K9 PolarHBondContact OD1-N 3.01Å; N6-Q10 PolarHBondContact O-N 2.93Å; N6-Q91 HydrophobicContact CB-CB 4.18Å; N6-Q91 WeakPolarHBondContact ND2-CB 3.35Å; N6-Q91 PolarHBondContact ND2-O 3.07Å; N6-Q91 VanDerWaalsContact ND2-O 3.11Å; N6-T92 PolarHBondContact ND2-OG1 3.01Å; N6-T92 PolarHBondContact OD1-OG1 2.6Å; N6-Q144 HydrophobicContact CB-CB 4.25Å; N6-Q144 WeakPolarHBondContact CB-O 3.31Å; N6-Q144 PolarHBondContact ND2-O 3.39Å; N6-C146 WeakPolarHBondContact ND2-CB 3.48Å
7R96.8Very high93.2Very high150 Ų15073.6 Ų73.657%0.56638%0.383SS*.Hα-helixtrans-68-31.8-178.5-66.9179.9178.5165.3-0.2112.8V5 Q10 R11 Q69V5-R7 PolarHBondContact O-N 3.38Å; V5-R7 VanDerWaalsContact O-N 3.15Å; R7-Q10 PolarHBondContact O-N 3.05Å; R7-R11 WeakPolarHBondContact O-CG 3.35Å; R7-R11 PolarHBondContact O-N 2.96Å; R7-Q69 HydrophobicContact CB-CG 4.27Å
8F97.9Very high93.5Very high0 Ų069.6 Ų69.60%036%0.361CS..Hα-helixtrans-60-48.5175.8176-93.3000110.7N6 Q10 R11 L12 Q18 W41 Q69 V71 T92 L148 F232N6-F8 VanDerWaalsContact C-N 3.32Å; N6-F8 PolarHBondContact O-N 3.22Å; N6-F8 WeakPolarHBondContact OD1-CB 3.3Å; N6-F8 PolarHBondContact OD1-N 3.15Å; F8-Q10 VanDerWaalsContact C-N 3.33Å; F8-Q10 PolarHBondContact O-N 3.36Å; F8-R11 PolarHBondContact O-N 2.86Å; F8-L12 HydrophobicContact CD1-CD1 4.06Å; F8-L12 HydrophobicContact CD1-CG 4.26Å; F8-L12 HydrophobicContact CE1-CD1 3.45Å; F8-L12 VanDerWaalsContact CE1-CD1 3.45Å; F8-L12 HydrophobicContact CE1-CD2 4.28Å; F8-L12 HydrophobicContact CE1-CG 3.89Å; F8-L12 HydrophobicContact CZ-CD1 4.02Å; F8-L12 HydrophobicContact CZ-CD2 4.05Å; F8-L12 HydrophobicContact CZ-CG 4.16Å; F8-L12 WeakPolarHBondContact O-CG 3.2Å; F8-L12 PolarHBondContact O-N 3.25Å; F8-Q18 PolarHBondContact O-NE2 2.93Å; F8-W41 HydrophobicContact CD2-CB 3.82Å; F8-W41 HydrophobicContact CD2-CG 4.03Å; F8-W41 HydrophobicContact CE2-CB 3.96Å; F8-W41 AromaticContact CE2-CD1 3.76Å; F8-W41 HydrophobicContact CE2-CD2 4.11Å; F8-W41 AromaticContact CE2-CG 3.68Å; F8-W41 HydrophobicContact CE2-CG 3.68Å; F8-Q69 HydrophobicContact CB-CB 3.76Å; F8-Q69 HydrophobicContact CB-CG 3.95Å; F8-V71 HydrophobicContact CZ-CG2 4.43Å; F8-T92 HydrophobicContact CD1-CG2 3.72Å; F8-T92 HydrophobicContact CE1-CG2 3.72Å; F8-L148 HydrophobicContact CE1-CD1 3.87Å; F8-L148 HydrophobicContact CE1-CD2 4.39Å; F8-L148 HydrophobicContact CZ-CD1 4.07Å; F8-F232 HydrophobicContact CE2-CB 4.01Å; F8-F232 HydrophobicContact CZ-CB 3.89Å; F8-F232 HydrophobicContact CZ-CD2 4.18Å; F8-F232 HydrophobicContact CZ-CG 4.02Å
9K97.4Very high93.7Very high19 Ų1968.7 Ų68.78%0.08336%0.357CS..Hα-helixtrans-59.6-41.3176.4-169.4179.4-178.51800112.7N6 L12 E143 M145 C146 D170N6-K9 HydrophobicContact CB-CB 4.09Å; N6-K9 PolarHBondContact O-N 3.46Å; N6-K9 PolarHBondContact OD1-N 3.01Å; K9-L12 PolarHBondContact O-N 2.75Å; K9-E143 PolarHBondContact NZ-O 3.24Å; K9-M145 VanDerWaalsContact CE-O 3.32Å; K9-M145 WeakPolarHBondContact CE-O 3.32Å; K9-M145 PolarHBondContact NZ-O 2.94Å; K9-C146 HydrophobicContact CB-CB 3.89Å; K9-C146 HydrophobicContact CD-CB 3.98Å; K9-C146 HydrophobicContact CG-CB 3.97Å; K9-D170 WeakPolarHBondContact CE-OD1 3.36Å
10Q96.1Very high94Very high108 Ų10865.3 Ų65.351%0.50534%0.339SS..Hα-helixtrans-63.4-43.7178.1-71.3179.9-18.600111.7N6 R7 F8 R13N6-Q10 PolarHBondContact O-N 2.93Å; R7-Q10 PolarHBondContact O-N 3.05Å; F8-Q10 VanDerWaalsContact C-N 3.33Å; F8-Q10 PolarHBondContact O-N 3.36Å; Q10-R13 WeakPolarHBondContact O-CB 3.44Å; Q10-R13 PolarHBondContact O-N 3.46Å
11R96.4Very high94.2Very high56 Ų5662.5 Ų62.521%0.21133%0.325CS..Hα-helixtrans-70-31.6178.6-71.2174.975.7-1667.1113.1R7 F8 R13 S14 E16 Q18 D40R7-R11 WeakPolarHBondContact O-CG 3.35Å; R7-R11 PolarHBondContact O-N 2.96Å; F8-R11 PolarHBondContact O-N 2.86Å; R11-R13 PolarHBondContact O-N 3.23Å; R11-S14 PolarHBondContact O-N 3.13Å; R11-S14 VanDerWaalsContact O-N 3.08Å; R11-S14 PolarHBondContact O-OG 2.96Å; R11-E16 IonicContact CZ-OE1 2.93Å; R11-E16 IonicContact CZ-OE2 2.94Å; R11-E16 IonicContact NE-OE1 2.69Å; R11-E16 IonicContact NE-OE2 3.84Å; R11-E16 PolarHBondContact NE-OE2 3.34Å; R11-E16 IonicContact NH2-OE1 3.15Å; R11-E16 PolarHBondContact NH2-OE1 3.47Å; R11-E16 IonicContact NH2-OE2 2.75Å; R11-Q18 VanDerWaalsContact CB-CD 3.43Å; R11-Q18 HydrophobicContact CB-CG 4.12Å; R11-D40 IonicContact CZ-OD1 3.73Å; R11-D40 VanDerWaalsContact CZ-OD1 3.27Å; R11-D40 VanDerWaalsContact NH1-CG 3.33Å; R11-D40 IonicContact NH1-OD1 3.97Å; R11-D40 PolarHBondContact NH1-OD1 2.9Å; R11-D40 IonicContact NH2-OD1 3.89Å; R11-D40 PolarHBondContact NH2-OD1 3.23Å; R11-D40 IonicContact NH2-OD2 3.98Å
12L95.5Very high94.8Very high17 Ų1755.7 Ų55.79%0.08929%0.291CS..Hα-helixtrans-57-33.1171.4-72.9-172.7000112.6F8 K9 L148 A211 A231 F232F8-L12 HydrophobicContact CD1-CD1 4.06Å; F8-L12 HydrophobicContact CD1-CG 4.26Å; F8-L12 HydrophobicContact CE1-CD1 3.45Å; F8-L12 VanDerWaalsContact CE1-CD1 3.45Å; F8-L12 HydrophobicContact CE1-CD2 4.28Å; F8-L12 HydrophobicContact CE1-CG 3.89Å; F8-L12 HydrophobicContact CZ-CD1 4.02Å; F8-L12 HydrophobicContact CZ-CD2 4.05Å; F8-L12 HydrophobicContact CZ-CG 4.16Å; F8-L12 WeakPolarHBondContact O-CG 3.2Å; F8-L12 PolarHBondContact O-N 3.25Å; K9-L12 PolarHBondContact O-N 2.75Å; L12-L148 HydrophobicContact CD1-CD2 3.9Å; L12-A211 HydrophobicContact CB-CB 4.34Å; L12-A211 HydrophobicContact CD1-CB 4.16Å; L12-A211 HydrophobicContact CD2-CB 3.89Å; L12-A211 HydrophobicContact CG-CB 4.37Å; L12-A231 HydrophobicContact CD2-CB 4.03Å; L12-F232 HydrophobicContact CD2-CB 4.12Å; L12-F232 HydrophobicContact CD2-CD1 3.55Å; L12-F232 HydrophobicContact CD2-CE1 4.33Å; L12-F232 HydrophobicContact CD2-CG 4.12Å
13R88.1Confident95.1Very high182 Ų18248.6 Ų48.669%0.68725%0.253SS*.Hα-helixtrans-78.4-21.9179-63.5176.4-179.8-178.6-3.5113.8Q10 R11 G15Q10-R13 WeakPolarHBondContact O-CB 3.44Å; Q10-R13 PolarHBondContact O-N 3.46Å; R11-R13 PolarHBondContact O-N 3.23Å; R13-G15 VanDerWaalsContact C-N 3.29Å
14S87.7Confident95.3Very high80 Ų8047.2 Ų47.256%0.55925%0.249SC*.Hα-helixtrans-80.1-13.3177.966.10000112.8R11 E16R11-S14 PolarHBondContact O-N 3.13Å; R11-S14 VanDerWaalsContact O-N 3.08Å; R11-S14 PolarHBondContact O-OG 2.96Å; S14-E16 PolarHBondContact O-N 3.17Å; S14-E16 WeakPolarHBondContact OG-CB 3.34Å; S14-E16 PolarHBondContact OG-N 3.44Å
15G80.9Confident95.5Very high61 Ų6148.5 Ų48.563%0.62925%0.254SS*.THydrogen-bonded Turntrans75.56.7-172.600000113.5R13 A17R13-G15 VanDerWaalsContact C-N 3.29Å; G15-A17 PolarHBondContact O-N 3.47Å
16E90.1Very high95.6Very high93 Ų9345.9 Ų45.944%0.43524%0.239SC..  trans-68.8123.6172.8-172-169.2171.900109.4R11 S14 Q18R11-E16 IonicContact CZ-OE1 2.93Å; R11-E16 IonicContact CZ-OE2 2.94Å; R11-E16 IonicContact NE-OE1 2.69Å; R11-E16 IonicContact NE-OE2 3.84Å; R11-E16 PolarHBondContact NE-OE2 3.34Å; R11-E16 IonicContact NH2-OE1 3.15Å; R11-E16 PolarHBondContact NH2-OE1 3.47Å; R11-E16 IonicContact NH2-OE2 2.75Å; S14-E16 PolarHBondContact O-N 3.17Å; S14-E16 WeakPolarHBondContact OG-CB 3.34Å; S14-E16 PolarHBondContact OG-N 3.44Å; E16-Q18 PolarHBondContact O-N 3.12Å
17A96.6Very high95.6Very high42 Ų4249.2 Ų49.235%0.34726%0.257SS..  trans-68.3131.217500000110.6G15 L226 A231G15-A17 PolarHBondContact O-N 3.47Å; A17-L226 HydrophobicContact CB-CD2 3.7Å; A17-A231 WeakPolarHBondContact CA-O 3.48Å
18Q98.4Very high95.7Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-112.4125.2-179.6-62.4-179.783.700110.1F8 R11 E16 D40 W41 A231 F232 V233F8-Q18 PolarHBondContact O-NE2 2.93Å; R11-Q18 VanDerWaalsContact CB-CD 3.43Å; R11-Q18 HydrophobicContact CB-CG 4.12Å; E16-Q18 PolarHBondContact O-N 3.12Å; Q18-D40 HydrophobicContact CB-CB 3.89Å; Q18-D40 HydrophobicContact CG-CB 4.46Å; Q18-W41 PolarHBondContact O-NE1 2.86Å; Q18-A231 PolarHBondContact N-O 3.23Å; Q18-F232 WeakPolarHBondContact O-CA 3.39Å; Q18-V233 PolarHBondContact O-N 3.49Å
19I98.6Very high95.7Very high53 Ų5352.3 Ų52.327%0.27228%0.275SS..EExtended strand (participates in β ladder)trans-93.4123.7-176.8-52.2-54.5000110.1F39 D40 L226 V235I19-F39 HydrophobicContact CG2-CD1 4.26Å; I19-F39 HydrophobicContact CG2-CE1 4.46Å; I19-D40 PolarHBondContact N-OD2 2.93Å; I19-D40 WeakPolarHBondContact O-CB 3.45Å; I19-D40 PolarHBondContact O-N 3.42Å; I19-L226 HydrophobicContact CD1-CD1 3.89Å; I19-L226 HydrophobicContact CD1-CD2 3.84Å; I19-V235 HydrophobicContact CG2-CB 4.43Å; I19-V235 HydrophobicContact CG2-CG1 3.86Å; I19-V235 HydrophobicContact CG2-CG2 3.65Å
20G98.6Very high95.8Very high0 Ų053.3 Ų53.30%028%0.284CS..EExtended strand (participates in β ladder)trans-118.5168-17600000115.1W41 V233 A234 V235G20-W41 VanDerWaalsContact CA-CE2 3.41Å; G20-W41 WeakPolarHBondContact CA-O 3.43Å; G20-V233 PolarHBondContact N-O 3.36Å; G20-A234 VanDerWaalsContact O-CA 3.31Å; G20-A234 WeakPolarHBondContact O-CA 3.49Å; G20-V235 PolarHBondContact O-N 3.04Å
21L98.7Very high95.9Very high8 Ų848.2 Ų48.24%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-128.7138.5170.9-171.673.8000110.2L23 A34 F39 W41 L42 L43 G236 D238 L241L21-L23 HydrophobicContact CD2-CD2 3.75Å; L21-L23 HydrophobicContact CG-CD2 4.15Å; L21-A34 HydrophobicContact CD2-CB 4.19Å; L21-F39 HydrophobicContact CB-CD1 3.98Å; L21-F39 HydrophobicContact CB-CD2 3.86Å; L21-F39 HydrophobicContact CB-CE1 4.02Å; L21-F39 HydrophobicContact CB-CE2 3.92Å; L21-F39 HydrophobicContact CB-CG 3.9Å; L21-F39 HydrophobicContact CB-CZ 4Å; L21-F39 HydrophobicContact CD1-CE1 4.38Å; L21-F39 HydrophobicContact CD1-CE2 4.31Å; L21-F39 HydrophobicContact CD1-CZ 3.94Å; L21-F39 HydrophobicContact CD2-CD2 4.15Å; L21-F39 HydrophobicContact CD2-CE2 3.72Å; L21-F39 HydrophobicContact CD2-CZ 4.2Å; L21-F39 HydrophobicContact CG-CE2 4.2Å; L21-F39 HydrophobicContact CG-CZ 4.27Å; L21-W41 PolarHBondContact N-O 2.87Å; L21-L42 HydrophobicContact CB-CD2 3.83Å; L21-L42 WeakPolarHBondContact O-CA 3.4Å; L21-L43 PolarHBondContact O-N 3.35Å; L21-G236 VanDerWaalsContact CD1-C 3.48Å; L21-G236 WeakPolarHBondContact CD1-O 3.48Å; L21-D238 HydrophobicContact CD2-CB 4.4Å; L21-L241 HydrophobicContact CD1-CD1 3.74Å
22W98.6Very high96Very high5 Ų548.9 Ų48.92%0.01927%0.266CS..EExtended strand (participates in β ladder)trans-83.9125.7172.8-144.4-84.2000110.1L43 D45 R73 L94 F173 L215 A234 G236 V237 D238W22-L43 HydrophobicContact CD2-CB 4.41Å; W22-L43 HydrophobicContact CD2-CD1 4.25Å; W22-L43 HydrophobicContact CD2-CD2 3.62Å; W22-L43 HydrophobicContact CD2-CG 4.31Å; W22-L43 HydrophobicContact CE3-CB 4.4Å; W22-L43 HydrophobicContact CE3-CD1 4.02Å; W22-L43 HydrophobicContact CE3-CD2 4.22Å; W22-L43 HydrophobicContact CE3-CG 4.46Å; W22-L43 HydrophobicContact CG-CD2 3.96Å; W22-L43 HydrophobicContact CH2-CD1 3.57Å; W22-L43 HydrophobicContact CH2-CD2 4.26Å; W22-L43 HydrophobicContact CZ2-CD1 3.79Å; W22-L43 HydrophobicContact CZ2-CD2 3.64Å; W22-L43 HydrophobicContact CZ2-CG 4.35Å; W22-L43 HydrophobicContact CZ3-CD1 3.68Å; W22-D45 PolarHBondContact NE1-OD2 3.06Å; W22-R73 VanDerWaalsContact CZ2-CZ 3.41Å; W22-L94 HydrophobicContact CH2-CD2 3.9Å; W22-L94 HydrophobicContact CZ3-CD2 4.42Å; W22-F173 HydrophobicContact CH2-CE1 4.05Å; W22-F173 AromaticContact CH2-CZ 3.87Å; W22-F173 HydrophobicContact CH2-CZ 3.87Å; W22-F173 HydrophobicContact CZ3-CE1 4.11Å; W22-F173 HydrophobicContact CZ3-CE2 4.05Å; W22-F173 AromaticContact CZ3-CZ 3.46Å; W22-F173 HydrophobicContact CZ3-CZ 3.46Å; W22-F173 VanDerWaalsContact CZ3-CZ 3.46Å; W22-L215 HydrophobicContact CD2-CD2 3.98Å; W22-L215 HydrophobicContact CE3-CB 4.12Å; W22-L215 HydrophobicContact CE3-CD1 4.19Å; W22-L215 HydrophobicContact CE3-CD2 3.79Å; W22-L215 HydrophobicContact CE3-CG 4.26Å; W22-L215 HydrophobicContact CG-CD2 4.44Å; W22-L215 HydrophobicContact CZ3-CB 4.01Å; W22-L215 HydrophobicContact CZ3-CD2 4.19Å; W22-A234 HydrophobicContact CE3-CB 3.92Å; W22-A234 HydrophobicContact CZ3-CB 4.46Å; W22-G236 WeakPolarHBondContact CB-O 3.06Å; W22-G236 PolarHBondContact N-O 3.29Å; W22-V237 HydrophobicContact CB-CB 4.17Å; W22-V237 HydrophobicContact CB-CG1 4.18Å; W22-V237 HydrophobicContact CB-CG2 3.6Å; W22-V237 HydrophobicContact CG-CG2 4.23Å; W22-V237 WeakPolarHBondContact O-CA 3.48Å; W22-D238 PolarHBondContact O-N 3.44Å
23L98.7Very high96.1Very high1 Ų153.9 Ų53.91%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-106.1112.3179.7-55.5-171.4000110.7L21 A31 A34 L42 L43 L44 D45 D238L21-L23 HydrophobicContact CD2-CD2 3.75Å; L21-L23 HydrophobicContact CG-CD2 4.15Å; L23-A31 HydrophobicContact CD1-CB 3.9Å; L23-A34 HydrophobicContact CD1-CB 4.32Å; L23-A34 HydrophobicContact CD2-CB 3.76Å; L23-L42 HydrophobicContact CD1-CB 3.94Å; L23-L42 HydrophobicContact CD1-CD1 4.27Å; L23-L42 HydrophobicContact CD1-CD2 4.26Å; L23-L42 HydrophobicContact CD1-CG 4.39Å; L23-L42 HydrophobicContact CD2-CD2 4.27Å; L23-L42 HydrophobicContact CG-CB 4.34Å; L23-L42 HydrophobicContact CG-CD2 4.37Å; L23-L43 WeakPolarHBondContact CA-O 3.37Å; L23-L43 VanDerWaalsContact CB-O 3.27Å; L23-L43 WeakPolarHBondContact CB-O 3.46Å; L23-L43 PolarHBondContact N-O 3.18Å; L23-L44 HydrophobicContact CB-CD2 4.3Å; L23-L44 HydrophobicContact CD1-CD2 3.79Å; L23-L44 HydrophobicContact CG-CD2 4.49Å; L23-D45 PolarHBondContact O-N 3.44Å; L23-D238 WeakPolarHBondContact CA-OD2 3.22Å; L23-D238 HydrophobicContact CD2-CB 3.94Å
24G98.2Very high96.6Very high13 Ų1345.6 Ų45.613%0.13426%0.263CS..  trans-115.9-3.1178.400000114.3A26 A49 D238G24-A26 PolarHBondContact O-N 3.12Å; G24-A49 WeakPolarHBondContact O-CB 3.45Å; G24-D238 WeakPolarHBondContact CA-OD1 3.43Å; G24-D238 VanDerWaalsContact N-CG 3.32Å; G24-D238 PolarHBondContact N-OD1 3.27Å; G24-D238 PolarHBondContact N-OD2 3.31Å
25L98.3Very high97.2Very high61 Ų6142 Ų4232%0.31924%0.237SC..SBendtrans-70.2-17.3173.8-73.1167.3000113.2D27 C30 D238 T239 L242L25-D27 PolarHBondContact O-N 3.44Å; L25-C30 HydrophobicContact CB-CB 3.92Å; L25-C30 HydrophobicContact CD1-CB 3.81Å; L25-D238 WeakPolarHBondContact CB-OD2 3.3Å; L25-D238 HydrophobicContact CD1-CB 4.19Å; L25-D238 WeakPolarHBondContact CG-OD2 3.27Å; L25-D238 PolarHBondContact N-OD1 3.28Å; L25-D238 PolarHBondContact N-OD2 2.67Å; L25-D238 VanDerWaalsContact N-OD2 3.08Å; L25-T239 HydrophobicContact CD2-CG2 3.93Å; L25-T239 HydrophobicContact CG-CG2 3.92Å; L25-L242 HydrophobicContact CD1-CD2 4.26Å; L25-L242 HydrophobicContact CD2-CD2 4.13Å
26A98Very high97.9Very high14 Ų1445 Ų4512%0.11624%0.239CC..  trans56.429.6174.600000114.8G24 P50 N51G24-A26 PolarHBondContact O-N 3.12Å; A26-P50 HydrophobicContact CB-CG 3.86Å; A26-N51 WeakPolarHBondContact CA-OD1 3.27Å; A26-N51 HydrophobicContact CB-CB 4.43Å; A26-N51 VanDerWaalsContact CB-OD1 3.3Å; A26-N51 WeakPolarHBondContact CB-OD1 3.44Å
27D98.5Very high98.3Very high70 Ų7043.8 Ų43.837%0.37425%0.245SC..  trans-128.8133.8-176.1-174.1-82.1000111.7L25 Y29 C30 A31L25-D27 PolarHBondContact O-N 3.44Å; D27-Y29 VanDerWaalsContact C-N 3.32Å; D27-Y29 PolarHBondContact O-N 2.8Å; D27-Y29 WeakPolarHBondContact OD1-CA 3.35Å; D27-Y29 WeakPolarHBondContact OD1-CB 3.47Å; D27-Y29 PolarHBondContact OD1-N 3.37Å; D27-C30 HydrophobicContact CB-CB 4.22Å; D27-C30 PolarHBondContact O-N 3.16Å; D27-C30 PolarHBondContact OD1-N 3.01Å; D27-A31 PolarHBondContact O-N 3.42Å
28P98.6Very high98.3Very high41 Ų4144.6 Ų44.627%0.26626%0.258SS..Hα-helixtrans-58.4-37.3179.1-2534.6000114.7A31 E32 Q59 A62P28-A31 PolarHBondContact O-N 3.41Å; P28-E32 WeakPolarHBondContact O-CB 3.35Å; P28-E32 PolarHBondContact O-N 2.8Å; P28-Q59 HydrophobicContact CB-CG 4.45Å; P28-Q59 HydrophobicContact CG-CG 4.27Å; P28-A62 HydrophobicContact CB-CB 3.99Å; P28-A62 WeakPolarHBondContact O-CB 3.42Å
29Y98.5Very high98.3Very high174 Ų17446.8 Ų46.868%0.68227%0.267SS*.Hα-helixtrans-68.9-39.9-179.6-168.6-94.7000110.9D27 E32 L33D27-Y29 VanDerWaalsContact C-N 3.32Å; D27-Y29 PolarHBondContact O-N 2.8Å; D27-Y29 WeakPolarHBondContact OD1-CA 3.35Å; D27-Y29 WeakPolarHBondContact OD1-CB 3.47Å; D27-Y29 PolarHBondContact OD1-N 3.37Å; Y29-E32 PolarHBondContact O-N 3.19Å; Y29-L33 WeakPolarHBondContact O-CB 3.44Å; Y29-L33 PolarHBondContact O-N 2.99Å
30C98.4Very high98.3Very high40 Ų4046.1 Ų46.127%0.2726%0.264SS..Hα-helixtrans-66.6-39.9173-660000111.9L25 D27 L33 A34L25-C30 HydrophobicContact CB-CB 3.92Å; L25-C30 HydrophobicContact CD1-CB 3.81Å; D27-C30 HydrophobicContact CB-CB 4.22Å; D27-C30 PolarHBondContact O-N 3.16Å; D27-C30 PolarHBondContact OD1-N 3.01Å; C30-L33 WeakPolarHBondContact O-CB 3.4Å; C30-L33 PolarHBondContact O-N 3.21Å; C30-A34 PolarHBondContact O-N 2.96Å
31A98.8Very high98.3Very high1 Ų146.2 Ų46.21%0.00827%0.265CS..Hα-helixtrans-62.9-43.1175.400000111.9L23 D27 P28 L33 A34 A35 Q59 L63L23-A31 HydrophobicContact CD1-CB 3.9Å; D27-A31 PolarHBondContact O-N 3.42Å; P28-A31 PolarHBondContact O-N 3.41Å; A31-L33 PolarHBondContact O-N 3.33Å; A31-A34 PolarHBondContact O-N 3.34Å; A31-A35 PolarHBondContact O-N 3.13Å; A31-Q59 HydrophobicContact CB-CB 4.11Å; A31-Q59 HydrophobicContact CB-CG 3.82Å; A31-L63 HydrophobicContact CB-CD2 4.08Å; A31-L63 HydrophobicContact CB-CG 4.31Å; A31-L63 VanDerWaalsContact O-CD2 3.28Å; A31-L63 WeakPolarHBondContact O-CD2 3.38Å
32E98.5Very high98.3Very high71 Ų7145.9 Ų45.933%0.33226%0.263SS..Hα-helixtrans-59.3-45.2174.4-168.2167.1-160.300112P28 Y29 A34 A35 N36 A62 Y66P28-E32 WeakPolarHBondContact O-CB 3.35Å; P28-E32 PolarHBondContact O-N 2.8Å; Y29-E32 PolarHBondContact O-N 3.19Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.27Å; E32-A35 WeakPolarHBondContact O-CB 3.33Å; E32-A35 PolarHBondContact O-N 2.9Å; E32-N36 PolarHBondContact O-N 3.18Å; E32-N36 VanDerWaalsContact O-N 3.14Å; E32-A62 HydrophobicContact CB-CB 4.2Å; E32-Y66 HydrophobicContact CG-CE2 3.58Å; E32-Y66 WeakPolarHBondContact CG-OH 3.46Å; E32-Y66 PolarHBondContact OE1-OH 3.34Å
33L98.2Very high98.3Very high122 Ų12245.6 Ų45.664%0.63926%0.262SS*.Hα-helixtrans-57.2-46.1175.1-173.8159.3000111.2Y29 C30 A31 N36Y29-L33 WeakPolarHBondContact O-CB 3.44Å; Y29-L33 PolarHBondContact O-N 2.99Å; C30-L33 WeakPolarHBondContact O-CB 3.4Å; C30-L33 PolarHBondContact O-N 3.21Å; A31-L33 PolarHBondContact O-N 3.33Å; L33-N36 PolarHBondContact O-N 3.44Å
34A98.5Very high98.3Very high8 Ų845.6 Ų45.67%0.06626%0.262CS..Hα-helixtrans-66.2-37177.300000112.7L21 L23 C30 A31 E32 N36 A37 L42L21-A34 HydrophobicContact CD2-CB 4.19Å; L23-A34 HydrophobicContact CD1-CB 4.32Å; L23-A34 HydrophobicContact CD2-CB 3.76Å; C30-A34 PolarHBondContact O-N 2.96Å; A31-A34 PolarHBondContact O-N 3.34Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.27Å; A34-N36 PolarHBondContact O-N 3.22Å; A34-A37 VanDerWaalsContact O-CB 3.27Å; A34-A37 WeakPolarHBondContact O-CB 3.49Å; A34-A37 PolarHBondContact O-N 3.4Å; A34-L42 HydrophobicContact CB-CD2 4.17Å
35A98.3Very high98.4Very high3 Ų345.3 Ų45.33%0.02526%0.257CS..Hα-helixtrans-61.9-31.7176.500000112.9A31 E32 A37 L42 L63 Y66A31-A35 PolarHBondContact O-N 3.13Å; E32-A35 WeakPolarHBondContact O-CB 3.33Å; E32-A35 PolarHBondContact O-N 2.9Å; A35-A37 PolarHBondContact O-N 3Å; A35-L42 HydrophobicContact CB-CD1 3.91Å; A35-L63 HydrophobicContact CB-CD2 3.39Å; A35-Y66 HydrophobicContact CB-CD1 3.93Å; A35-Y66 HydrophobicContact CB-CD2 3.9Å; A35-Y66 HydrophobicContact CB-CG 3.55Å
36N97.6Very high98.3Very high124 Ų12442.9 Ų42.966%0.66325%0.246SC*.THydrogen-bonded Turntrans-73.5-13.1175.8-165.658.9000113.5E32 L33 A34 G38 Y66E32-N36 PolarHBondContact O-N 3.18Å; E32-N36 VanDerWaalsContact O-N 3.14Å; L33-N36 PolarHBondContact O-N 3.44Å; A34-N36 PolarHBondContact O-N 3.22Å; N36-G38 VanDerWaalsContact C-N 3.3Å; N36-G38 PolarHBondContact O-N 3.21Å; N36-Y66 HydrophobicContact CB-CE1 3.97Å
37A97.9Very high98.3Very high69 Ų6944.2 Ų44.257%0.5725%0.25SS*.THydrogen-bonded Turntrans-79.3-10-179.800000113.9A34 A35 F39A34-A37 VanDerWaalsContact O-CB 3.27Å; A34-A37 WeakPolarHBondContact O-CB 3.49Å; A34-A37 PolarHBondContact O-N 3.4Å; A35-A37 PolarHBondContact O-N 3Å; A37-F39 HydrophobicContact CB-CD2 4.02Å; A37-F39 HydrophobicContact CB-CE2 3.91Å
38G96.7Very high98.2Very high59 Ų5946.5 Ų46.561%0.60826%0.259SS*.THydrogen-bonded Turntrans90.118173.300000115.9N36N36-G38 VanDerWaalsContact C-N 3.3Å; N36-G38 PolarHBondContact O-N 3.21Å
39F98.5Very high98.2Very high45 Ų4545.2 Ų45.220%0.19725%0.251CS..  trans-65.6144.1169.6-67.4-78.5000111.4I19 L21 A37 W41 L42 G68 V235I19-F39 HydrophobicContact CG2-CD1 4.26Å; I19-F39 HydrophobicContact CG2-CE1 4.46Å; L21-F39 HydrophobicContact CB-CD1 3.98Å; L21-F39 HydrophobicContact CB-CD2 3.86Å; L21-F39 HydrophobicContact CB-CE1 4.02Å; L21-F39 HydrophobicContact CB-CE2 3.92Å; L21-F39 HydrophobicContact CB-CG 3.9Å; L21-F39 HydrophobicContact CB-CZ 4Å; L21-F39 HydrophobicContact CD1-CE1 4.38Å; L21-F39 HydrophobicContact CD1-CE2 4.31Å; L21-F39 HydrophobicContact CD1-CZ 3.94Å; L21-F39 HydrophobicContact CD2-CD2 4.15Å; L21-F39 HydrophobicContact CD2-CE2 3.72Å; L21-F39 HydrophobicContact CD2-CZ 4.2Å; L21-F39 HydrophobicContact CG-CE2 4.2Å; L21-F39 HydrophobicContact CG-CZ 4.27Å; A37-F39 HydrophobicContact CB-CD2 4.02Å; A37-F39 HydrophobicContact CB-CE2 3.91Å; F39-W41 VanDerWaalsContact C-N 3.33Å; F39-L42 HydrophobicContact CB-CD2 4.02Å; F39-L42 HydrophobicContact CD2-CD2 4.27Å; F39-L42 HydrophobicContact CG-CD2 4.39Å; F39-G68 WeakPolarHBondContact O-CA 3.3Å; F39-V235 HydrophobicContact CE1-CG2 3.87Å
40D98.5Very high98.1Very high40 Ų4042.3 Ų42.321%0.21425%0.254CS..SBendtrans-69.9-33.1178.3-67.2-63.6000112R11 Q18 I19 G68 Q69R11-D40 IonicContact CZ-OD1 3.73Å; R11-D40 VanDerWaalsContact CZ-OD1 3.27Å; R11-D40 VanDerWaalsContact NH1-CG 3.33Å; R11-D40 IonicContact NH1-OD1 3.97Å; R11-D40 PolarHBondContact NH1-OD1 2.9Å; R11-D40 IonicContact NH2-OD1 3.89Å; R11-D40 PolarHBondContact NH2-OD1 3.23Å; R11-D40 IonicContact NH2-OD2 3.98Å; Q18-D40 HydrophobicContact CB-CB 3.89Å; Q18-D40 HydrophobicContact CG-CB 4.46Å; I19-D40 PolarHBondContact N-OD2 2.93Å; I19-D40 WeakPolarHBondContact O-CB 3.45Å; I19-D40 PolarHBondContact O-N 3.42Å; D40-G68 WeakPolarHBondContact O-CA 3.32Å; D40-Q69 PolarHBondContact O-N 2.93Å
41W98.7Very high98.1Very high2 Ų241.4 Ų41.41%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-147.6155.7177.660.9-79.3000112.4F8 Q18 G20 L21 F39 L43 Q69 V71 F232 A234F8-W41 HydrophobicContact CD2-CB 3.82Å; F8-W41 HydrophobicContact CD2-CG 4.03Å; F8-W41 HydrophobicContact CE2-CB 3.96Å; F8-W41 AromaticContact CE2-CD1 3.76Å; F8-W41 HydrophobicContact CE2-CD2 4.11Å; F8-W41 AromaticContact CE2-CG 3.68Å; F8-W41 HydrophobicContact CE2-CG 3.68Å; Q18-W41 PolarHBondContact O-NE1 2.86Å; G20-W41 VanDerWaalsContact CA-CE2 3.41Å; G20-W41 WeakPolarHBondContact CA-O 3.43Å; L21-W41 PolarHBondContact N-O 2.87Å; F39-W41 VanDerWaalsContact C-N 3.33Å; W41-L43 HydrophobicContact CE3-CB 4.22Å; W41-L43 HydrophobicContact CZ3-CB 3.8Å; W41-L43 HydrophobicContact CZ3-CD1 4.34Å; W41-Q69 CarbonylContact C-O 3.16Å; W41-Q69 WeakPolarHBondContact CA-O 3.26Å; W41-Q69 VanDerWaalsContact CB-O 3.28Å; W41-Q69 WeakPolarHBondContact CB-O 3.48Å; W41-V71 HydrophobicContact CB-CG2 4.41Å; W41-V71 HydrophobicContact CE3-CB 4.38Å; W41-V71 HydrophobicContact CE3-CG2 3.95Å; W41-F232 HydrophobicContact CZ2-CB 4.06Å; W41-F232 HydrophobicContact CZ2-CD2 4.3Å; W41-A234 HydrophobicContact CH2-CB 3.67Å; W41-A234 HydrophobicContact CZ2-CB 4.07Å; W41-A234 HydrophobicContact CZ3-CB 4.45Å
42L98.9Very high98.1Very high0 Ų046 Ų460%027%0.271CS..EExtended strand (participates in β ladder)trans-132.8120-178.4-65169.4000108.4L21 L23 A34 A35 F39 L63 Q69 P70 V71L21-L42 HydrophobicContact CB-CD2 3.83Å; L21-L42 WeakPolarHBondContact O-CA 3.4Å; L23-L42 HydrophobicContact CD1-CB 3.94Å; L23-L42 HydrophobicContact CD1-CD1 4.27Å; L23-L42 HydrophobicContact CD1-CD2 4.26Å; L23-L42 HydrophobicContact CD1-CG 4.39Å; L23-L42 HydrophobicContact CD2-CD2 4.27Å; L23-L42 HydrophobicContact CG-CB 4.34Å; L23-L42 HydrophobicContact CG-CD2 4.37Å; A34-L42 HydrophobicContact CB-CD2 4.17Å; A35-L42 HydrophobicContact CB-CD1 3.91Å; F39-L42 HydrophobicContact CB-CD2 4.02Å; F39-L42 HydrophobicContact CD2-CD2 4.27Å; F39-L42 HydrophobicContact CG-CD2 4.39Å; L42-L63 HydrophobicContact CB-CD1 4.35Å; L42-L63 HydrophobicContact CD1-CD1 4.12Å; L42-L63 HydrophobicContact CD1-CD2 3.44Å; L42-L63 VanDerWaalsContact CD1-CD2 3.44Å; L42-L63 HydrophobicContact CD1-CG 4.42Å; L42-Q69 PolarHBondContact N-O 2.93Å; L42-P70 WeakPolarHBondContact O-CA 3.17Å; L42-V71 PolarHBondContact O-N 2.83Å
43L98.9Very high98.1Very high0 Ų045.3 Ų45.30%027%0.269CS..EExtended strand (participates in β ladder)trans-88.4123.2176.2-178.8150000110.9L21 W22 L23 W41 D45 V71 R73 L94L21-L43 PolarHBondContact O-N 3.35Å; W22-L43 HydrophobicContact CD2-CB 4.41Å; W22-L43 HydrophobicContact CD2-CD1 4.25Å; W22-L43 HydrophobicContact CD2-CD2 3.62Å; W22-L43 HydrophobicContact CD2-CG 4.31Å; W22-L43 HydrophobicContact CE3-CB 4.4Å; W22-L43 HydrophobicContact CE3-CD1 4.02Å; W22-L43 HydrophobicContact CE3-CD2 4.22Å; W22-L43 HydrophobicContact CE3-CG 4.46Å; W22-L43 HydrophobicContact CG-CD2 3.96Å; W22-L43 HydrophobicContact CH2-CD1 3.57Å; W22-L43 HydrophobicContact CH2-CD2 4.26Å; W22-L43 HydrophobicContact CZ2-CD1 3.79Å; W22-L43 HydrophobicContact CZ2-CD2 3.64Å; W22-L43 HydrophobicContact CZ2-CG 4.35Å; W22-L43 HydrophobicContact CZ3-CD1 3.68Å; L23-L43 WeakPolarHBondContact CA-O 3.37Å; L23-L43 VanDerWaalsContact CB-O 3.27Å; L23-L43 WeakPolarHBondContact CB-O 3.46Å; L23-L43 PolarHBondContact N-O 3.18Å; W41-L43 HydrophobicContact CE3-CB 4.22Å; W41-L43 HydrophobicContact CZ3-CB 3.8Å; W41-L43 HydrophobicContact CZ3-CD1 4.34Å; L43-D45 HydrophobicContact CD2-CB 3.88Å; L43-V71 CarbonylContact C-O 3.55Å; L43-V71 VanDerWaalsContact CA-O 3.26Å; L43-V71 WeakPolarHBondContact CA-O 3.39Å; L43-V71 HydrophobicContact CB-CB 4.42Å; L43-V71 HydrophobicContact CD1-CG1 4.26Å; L43-R73 HydrophobicContact CD1-CB 4.22Å; L43-R73 HydrophobicContact CD2-CB 4.06Å; L43-R73 HydrophobicContact CG-CB 4.33Å; L43-L94 HydrophobicContact CD1-CB 4.26Å; L43-L94 HydrophobicContact CD1-CD2 3.54Å; L43-L94 HydrophobicContact CD1-CG 4.47Å
44L98.9Very high98.1Very high0 Ų048.7 Ų48.70%027%0.273CS..EExtended strand (participates in β ladder)trans-92108.2172.7-48.8-177.1000108.1L23 G46 L56 Q59 L60 L63 V71 I72 R73L23-L44 HydrophobicContact CB-CD2 4.3Å; L23-L44 HydrophobicContact CD1-CD2 3.79Å; L23-L44 HydrophobicContact CG-CD2 4.49Å; L44-G46 PolarHBondContact O-N 2.9Å; L44-L56 HydrophobicContact CB-CD2 3.6Å; L44-L56 HydrophobicContact CD1-CD2 4.22Å; L44-Q59 HydrophobicContact CD1-CB 3.71Å; L44-Q59 HydrophobicContact CD2-CB 4.1Å; L44-L60 HydrophobicContact CD1-CD2 4.16Å; L44-L60 HydrophobicContact CD1-CG 4.35Å; L44-L63 HydrophobicContact CD1-CD1 4.49Å; L44-L63 HydrophobicContact CD2-CD1 4.09Å; L44-V71 PolarHBondContact N-O 3.49Å; L44-I72 HydrophobicContact CB-CG1 4.29Å; L44-I72 HydrophobicContact CD1-CD1 4.43Å; L44-I72 HydrophobicContact CD1-CG1 4.2Å; L44-R73 PolarHBondContact O-N 2.74Å
45D98.5Very high98.1Very high8 Ų849.4 Ų49.44%0.04328%0.278CS..EExtended strand (participates in β ladder)trans-83.1107.1-172-168.2-7.3000110.7W22 L23 L43 E47 H48 A49 N51 R73W22-D45 PolarHBondContact NE1-OD2 3.06Å; L23-D45 PolarHBondContact O-N 3.44Å; L43-D45 HydrophobicContact CD2-CB 3.88Å; D45-E47 WeakPolarHBondContact OD1-CB 3.49Å; D45-E47 PolarHBondContact OD1-N 3.34Å; D45-H48 PolarHBondContact OD1-N 2.93Å; D45-A49 HydrophobicContact CB-CB 3.93Å; D45-A49 VanDerWaalsContact O-CB 3.3Å; D45-A49 WeakPolarHBondContact O-CB 3.46Å; D45-N51 WeakPolarHBondContact O-CB 3.44Å; D45-N51 PolarHBondContact O-ND2 3.36Å; D45-R73 IonicContact OD1-CZ 2.79Å; D45-R73 IonicContact OD1-NE 2.87Å; D45-R73 PolarHBondContact OD1-NE 3.11Å; D45-R73 IonicContact OD1-NH2 2.73Å; D45-R73 PolarHBondContact OD1-NH2 3.35Å; D45-R73 VanDerWaalsContact OD1-NH2 3.13Å; D45-R73 IonicContact OD2-CZ 2.74Å; D45-R73 IonicContact OD2-NE 3.6Å; D45-R73 IonicContact OD2-NH2 3.46Å; D45-R73 PolarHBondContact OD2-NH2 3.45Å
46G98.1Very high98.1Very high9 Ų949.7 Ų49.79%0.09328%0.279CS..SBendtrans-89.6-8.9172.900000113.6L44 R73 V75L44-G46 PolarHBondContact O-N 2.9Å; G46-R73 WeakPolarHBondContact CA-O 3.41Å; G46-R73 PolarHBondContact N-O 3.46Å; G46-V75 WeakPolarHBondContact O-CG1 3.15Å
47E97.2Very high98.1Very high43 Ų4344.9 Ų44.920%0.20125%0.253CS..SBendtrans-88.3-48.6-173.2-174.1-176.8-172.200112.4D45 R73 P96D45-E47 WeakPolarHBondContact OD1-CB 3.49Å; D45-E47 PolarHBondContact OD1-N 3.34Å; E47-R73 HydrophobicContact CB-CG 4.19Å; E47-R73 WeakPolarHBondContact OE2-CD 3.45Å; E47-R73 IonicContact OE2-CZ 3.13Å; E47-R73 IonicContact OE2-NE 3.76Å; E47-R73 PolarHBondContact OE2-NE 3.45Å; E47-R73 VanDerWaalsContact OE2-NE 3.15Å; E47-R73 IonicContact OE2-NH1 3.52Å; E47-R73 PolarHBondContact OE2-NH1 3.32Å; E47-R73 IonicContact OE2-NH2 2.94Å; E47-P96 WeakPolarHBondContact OE2-CB 3.49Å
48H96.4Very high98.2Very high118 Ų11842.2 Ų42.255%0.54623%0.233SC..SBendtrans-115.4-25-175.9-65.2-31.8000114D45 R73D45-H48 PolarHBondContact OD1-N 2.93Å; H48-R73 PolarHBondContact CD2-NH2 3.2Å
49A97.9Very high98.3Very high14 Ų1439.5 Ų39.512%0.11620%0.204CC..SBendtrans-82.4156.7174.700000110.4G24 D45 N51G24-A49 WeakPolarHBondContact O-CB 3.45Å; D45-A49 HydrophobicContact CB-CB 3.93Å; D45-A49 VanDerWaalsContact O-CB 3.3Å; D45-A49 WeakPolarHBondContact O-CB 3.46Å; A49-N51 PolarHBondContact O-N 3.23Å
50P97.7Very high98.3Very high112 Ų11237.6 Ų37.673%0.72720%0.196SC*.SBendtrans-7949.8-174.234-36.4000112A26A26-P50 HydrophobicContact CB-CG 3.86Å
51N98.4Very high98.3Very high22 Ų2240.5 Ų40.512%0.11821%0.208CC..  trans-87.6143.1177.2-88.2-50.1000111.4A26 D45 A49 S55 L56 Q59A26-N51 WeakPolarHBondContact CA-OD1 3.27Å; A26-N51 HydrophobicContact CB-CB 4.43Å; A26-N51 VanDerWaalsContact CB-OD1 3.3Å; A26-N51 WeakPolarHBondContact CB-OD1 3.44Å; D45-N51 WeakPolarHBondContact O-CB 3.44Å; D45-N51 PolarHBondContact O-ND2 3.36Å; A49-N51 PolarHBondContact O-N 3.23Å; N51-S55 VanDerWaalsContact CA-OG 3.28Å; N51-S55 WeakPolarHBondContact CA-OG 3.33Å; N51-S55 PolarHBondContact OD1-OG 3.23Å; N51-L56 HydrophobicContact CB-CD2 4.02Å; N51-L56 HydrophobicContact CB-CG 4.05Å; N51-Q59 PolarHBondContact OD1-NE2 3.17Å
52D97.6Very high98.3Very high97 Ų9741.1 Ų41.152%0.51921%0.213SC..  trans-124.6179.4165.768.935.4000110.2R54 S55 L56D52-R54 PolarHBondContact O-N 3.11Å; D52-R54 WeakPolarHBondContact OD1-CA 3.27Å; D52-R54 WeakPolarHBondContact OD1-CB 3.33Å; D52-R54 PolarHBondContact OD1-N 3.3Å; D52-S55 PolarHBondContact N-OG 3.19Å; D52-S55 PolarHBondContact O-N 2.83Å; D52-S55 PolarHBondContact O-OG 2.97Å; D52-S55 VanDerWaalsContact O-OG 3.1Å; D52-S55 PolarHBondContact OD1-N 3.43Å; D52-L56 WeakPolarHBondContact O-CB 2.9Å; D52-L56 WeakPolarHBondContact O-CG 3.43Å; D52-L56 PolarHBondContact O-N 3.37Å
53L98.1Very high98.3Very high57 Ų5741.2 Ų41.230%0.29821%0.214SC..Hα-helixtrans-59.4-32.7-178.6-170.868.9000113L57 Q84 L85 I88L53-L57 WeakPolarHBondContact O-CB 3.4Å; L53-L57 PolarHBondContact O-N 2.96Å; L53-Q84 HydrophobicContact CD1-CB 3.89Å; L53-Q84 HydrophobicContact CD2-CB 3.98Å; L53-Q84 HydrophobicContact CD2-CG 4.36Å; L53-L85 HydrophobicContact CD1-CD2 3.91Å; L53-I88 HydrophobicContact CD1-CD1 3.8Å; L53-I88 HydrophobicContact CD1-CG1 4.26Å; L53-I88 HydrophobicContact CD1-CG2 4.03Å; L53-I88 HydrophobicContact CG-CG2 4.18Å
54R98.1Very high98.2Very high193 Ų19344.2 Ų44.273%0.72824%0.239SC*.Hα-helixtrans-80-39.5-179.5-72-63.5-160.41734.3111.7D52 L56 L57 G58D52-R54 PolarHBondContact O-N 3.11Å; D52-R54 WeakPolarHBondContact OD1-CA 3.27Å; D52-R54 WeakPolarHBondContact OD1-CB 3.33Å; D52-R54 PolarHBondContact OD1-N 3.3Å; R54-L56 VanDerWaalsContact C-N 3.35Å; R54-L57 WeakPolarHBondContact O-CB 3.29Å; R54-L57 PolarHBondContact O-N 2.99Å; R54-G58 PolarHBondContact O-N 3.24Å
55S98.4Very high98.2Very high23 Ų2349.2 Ų49.216%0.16127%0.271CS..Hα-helixtrans-66-39.3174.275.10000111.1N51 D52 G58 Q59N51-S55 VanDerWaalsContact CA-OG 3.28Å; N51-S55 WeakPolarHBondContact CA-OG 3.33Å; N51-S55 PolarHBondContact OD1-OG 3.23Å; D52-S55 PolarHBondContact N-OG 3.19Å; D52-S55 PolarHBondContact O-N 2.83Å; D52-S55 PolarHBondContact O-OG 2.97Å; D52-S55 VanDerWaalsContact O-OG 3.1Å; D52-S55 PolarHBondContact OD1-N 3.43Å; S55-G58 PolarHBondContact O-N 3.25Å; S55-Q59 WeakPolarHBondContact O-CG 3.16Å; S55-Q59 PolarHBondContact O-N 3.45Å; S55-Q59 PolarHBondContact O-NE2 3.05Å
56L98.9Very high98.1Very high8 Ų851.9 Ų51.94%0.04228%0.281CS..Hα-helixtrans-63.1-43.5173.2-70.2170.4000111.3L44 N51 D52 R54 G58 Q59 L60 I72 L85 I88L44-L56 HydrophobicContact CB-CD2 3.6Å; L44-L56 HydrophobicContact CD1-CD2 4.22Å; N51-L56 HydrophobicContact CB-CD2 4.02Å; N51-L56 HydrophobicContact CB-CG 4.05Å; D52-L56 WeakPolarHBondContact O-CB 2.9Å; D52-L56 WeakPolarHBondContact O-CG 3.43Å; D52-L56 PolarHBondContact O-N 3.37Å; R54-L56 VanDerWaalsContact C-N 3.35Å; L56-G58 VanDerWaalsContact C-N 3.33Å; L56-G58 PolarHBondContact O-N 2.83Å; L56-Q59 PolarHBondContact O-N 3.26Å; L56-L60 WeakPolarHBondContact O-CB 3.45Å; L56-L60 WeakPolarHBondContact O-CG 3.41Å; L56-L60 PolarHBondContact O-N 2.99Å; L56-I72 HydrophobicContact CB-CD1 4.31Å; L56-I72 HydrophobicContact CD1-CG2 4.1Å; L56-I72 HydrophobicContact CD2-CD1 4.28Å; L56-I72 HydrophobicContact CD2-CG2 4.22Å; L56-L85 HydrophobicContact CD1-CD2 3.65Å; L56-I88 HydrophobicContact CB-CD1 3.96Å
57L98.8Very high98.1Very high23 Ų2355.9 Ų55.912%0.1231%0.305CS..Hα-helixtrans-57.7-45173.5170.464.5000111.7L53 R54 L60 Q61 I88L53-L57 WeakPolarHBondContact O-CB 3.4Å; L53-L57 PolarHBondContact O-N 2.96Å; R54-L57 WeakPolarHBondContact O-CB 3.29Å; R54-L57 PolarHBondContact O-N 2.99Å; L57-L60 PolarHBondContact O-N 3.42Å; L57-Q61 HydrophobicContact CD1-CG 4.32Å; L57-Q61 WeakPolarHBondContact O-CG 3.46Å; L57-Q61 PolarHBondContact O-N 3.25Å; L57-I88 HydrophobicContact CB-CB 4.38Å; L57-I88 HydrophobicContact CB-CD1 4.26Å; L57-I88 HydrophobicContact CB-CG2 4.37Å; L57-I88 HydrophobicContact CD1-CB 4.08Å; L57-I88 HydrophobicContact CD1-CG2 4.43Å
58G98.8Very high98.1Very high14 Ų1453.9 Ų53.914%0.14430%0.296CS..Hα-helixtrans-60.9-45.6177.700000112.2R54 S55 L56 Q61 A62R54-G58 PolarHBondContact O-N 3.24Å; S55-G58 PolarHBondContact O-N 3.25Å; L56-G58 VanDerWaalsContact C-N 3.33Å; L56-G58 PolarHBondContact O-N 2.83Å; G58-Q61 WeakPolarHBondContact O-CB 3.48Å; G58-Q61 PolarHBondContact O-N 2.87Å; G58-Q61 VanDerWaalsContact O-N 3.15Å; G58-A62 PolarHBondContact O-N 2.7Å
59Q98.8Very high98.2Very high1 Ų149.6 Ų49.61%0.00528%0.277CS..Hα-helixtrans-63.2-43.7175.9-72.1165.7102.200111.6P28 A31 L44 N51 S55 L56 Q61 A62 L63P28-Q59 HydrophobicContact CB-CG 4.45Å; P28-Q59 HydrophobicContact CG-CG 4.27Å; A31-Q59 HydrophobicContact CB-CB 4.11Å; A31-Q59 HydrophobicContact CB-CG 3.82Å; L44-Q59 HydrophobicContact CD1-CB 3.71Å; L44-Q59 HydrophobicContact CD2-CB 4.1Å; N51-Q59 PolarHBondContact OD1-NE2 3.17Å; S55-Q59 WeakPolarHBondContact O-CG 3.16Å; S55-Q59 PolarHBondContact O-N 3.45Å; S55-Q59 PolarHBondContact O-NE2 3.05Å; L56-Q59 PolarHBondContact O-N 3.26Å; Q59-Q61 PolarHBondContact O-N 3.39Å; Q59-A62 PolarHBondContact O-N 2.89Å; Q59-L63 WeakPolarHBondContact O-CB 3.22Å; Q59-L63 VanDerWaalsContact O-CG 3.25Å; Q59-L63 WeakPolarHBondContact O-CG 3.34Å; Q59-L63 PolarHBondContact O-N 2.93Å
60L98.8Very high98.2Very high5 Ų550.4 Ų50.43%0.02628%0.281CS..Hα-helixtrans-60.6-28.1174.3-72.6179.5000113.6L44 L56 L57 P70 I72 I88 A90 R127L44-L60 HydrophobicContact CD1-CD2 4.16Å; L44-L60 HydrophobicContact CD1-CG 4.35Å; L56-L60 WeakPolarHBondContact O-CB 3.45Å; L56-L60 WeakPolarHBondContact O-CG 3.41Å; L56-L60 PolarHBondContact O-N 2.99Å; L57-L60 PolarHBondContact O-N 3.42Å; L60-P70 HydrophobicContact CD2-CB 3.57Å; L60-P70 HydrophobicContact CD2-CG 3.62Å; L60-I72 HydrophobicContact CD1-CD1 4.04Å; L60-I72 HydrophobicContact CD2-CD1 4.25Å; L60-I72 HydrophobicContact CG-CD1 4.24Å; L60-I88 HydrophobicContact CD1-CB 4.43Å; L60-I88 HydrophobicContact CD1-CD1 3.8Å; L60-I88 HydrophobicContact CD1-CG1 3.82Å; L60-A90 HydrophobicContact CD1-CB 4.4Å; L60-R127 PolarHBondContact O-NH2 3.21Å
61Q98.6Very high98.3Very high101 Ų10145.1 Ų45.147%0.47225%0.246SC..Hα-helixtrans-76.8-44.7174.4-72.7170.6-2300111.2L57 G58 Q59 L63 A64L57-Q61 HydrophobicContact CD1-CG 4.32Å; L57-Q61 WeakPolarHBondContact O-CG 3.46Å; L57-Q61 PolarHBondContact O-N 3.25Å; G58-Q61 WeakPolarHBondContact O-CB 3.48Å; G58-Q61 PolarHBondContact O-N 2.87Å; G58-Q61 VanDerWaalsContact O-N 3.15Å; Q59-Q61 PolarHBondContact O-N 3.39Å; Q61-L63 VanDerWaalsContact C-N 3.33Å; Q61-L63 PolarHBondContact O-N 3.07Å; Q61-A64 WeakPolarHBondContact O-CB 2.78Å; Q61-A64 PolarHBondContact O-N 2.87Å
62A98.6Very high98.3Very high15 Ų1544.1 Ų44.112%0.12424%0.241CC..Hα-helixtrans-62.1-37.8177.700000112.8P28 E32 G58 Q59 P65 Y66P28-A62 HydrophobicContact CB-CB 3.99Å; P28-A62 WeakPolarHBondContact O-CB 3.42Å; E32-A62 HydrophobicContact CB-CB 4.2Å; G58-A62 PolarHBondContact O-N 2.7Å; Q59-A62 PolarHBondContact O-N 2.89Å; A62-P65 VanDerWaalsContact O-CD 3.3Å; A62-P65 WeakPolarHBondContact O-CD 3.4Å; A62-Y66 WeakPolarHBondContact O-CD2 3.4Å
63L98.7Very high98.4Very high2 Ų239.6 Ų39.61%0.0122%0.217CC..THydrogen-bonded Turntrans-76.4-19.8178.8-64.9-178.5000113.9A31 A35 L42 L44 Q59 Q61 P65 Y66 P70A31-L63 HydrophobicContact CB-CD2 4.08Å; A31-L63 HydrophobicContact CB-CG 4.31Å; A31-L63 VanDerWaalsContact O-CD2 3.28Å; A31-L63 WeakPolarHBondContact O-CD2 3.38Å; A35-L63 HydrophobicContact CB-CD2 3.39Å; L42-L63 HydrophobicContact CB-CD1 4.35Å; L42-L63 HydrophobicContact CD1-CD1 4.12Å; L42-L63 HydrophobicContact CD1-CD2 3.44Å; L42-L63 VanDerWaalsContact CD1-CD2 3.44Å; L42-L63 HydrophobicContact CD1-CG 4.42Å; L44-L63 HydrophobicContact CD1-CD1 4.49Å; L44-L63 HydrophobicContact CD2-CD1 4.09Å; Q59-L63 WeakPolarHBondContact O-CB 3.22Å; Q59-L63 VanDerWaalsContact O-CG 3.25Å; Q59-L63 WeakPolarHBondContact O-CG 3.34Å; Q59-L63 PolarHBondContact O-N 2.93Å; Q61-L63 VanDerWaalsContact C-N 3.33Å; Q61-L63 PolarHBondContact O-N 3.07Å; L63-P65 VanDerWaalsContact C-CD 3.43Å; L63-Y66 PolarHBondContact O-N 3.49Å; L63-P70 HydrophobicContact CD1-CB 3.87Å
64A97.7Very high98.4Very high63 Ų6337 Ų3752%0.52120%0.203SC..THydrogen-bonded Turntrans-58.1-33.2-170.700000116Q61 Y66Q61-A64 WeakPolarHBondContact O-CB 2.78Å; Q61-A64 PolarHBondContact O-N 2.87Å; A64-Y66 VanDerWaalsContact C-N 3.3Å
65P97.2Very high98.3Very high105 Ų10531.8 Ų31.868%0.68219%0.193SC*.THydrogen-bonded Turntrans-76.7-11.4176.5-17.933.5000114.8A62 L63A62-P65 VanDerWaalsContact O-CD 3.3Å; A62-P65 WeakPolarHBondContact O-CD 3.4Å; L63-P65 VanDerWaalsContact C-CD 3.43Å
66Y98Very high98.3Very high64 Ų6436 Ų3625%0.25121%0.21SC..SBendtrans-101.3157.4-170.3-66.5-91.8000112.2E32 A35 N36 A62 L63 A64E32-Y66 HydrophobicContact CG-CE2 3.58Å; E32-Y66 WeakPolarHBondContact CG-OH 3.46Å; E32-Y66 PolarHBondContact OE1-OH 3.34Å; A35-Y66 HydrophobicContact CB-CD1 3.93Å; A35-Y66 HydrophobicContact CB-CD2 3.9Å; A35-Y66 HydrophobicContact CB-CG 3.55Å; N36-Y66 HydrophobicContact CB-CE1 3.97Å; A62-Y66 WeakPolarHBondContact O-CD2 3.4Å; L63-Y66 PolarHBondContact O-N 3.49Å; A64-Y66 VanDerWaalsContact C-N 3.3Å
67P96.8Very high98.3Very high93 Ų9337.5 Ų37.560%0.60423%0.227SC*.SBendtrans-70-30.918026.2-34.1000113.7Q69P67-Q69 PolarHBondContact O-N 3.5Å; P67-Q69 PolarHBondContact O-NE2 3.28Å
68G97.6Very high98.2Very high1 Ų139.4 Ų39.41%0.0124%0.237CC..SBendtrans-60.5132.4-179.200000112.3F39 D40F39-G68 WeakPolarHBondContact O-CA 3.3Å; D40-G68 WeakPolarHBondContact O-CA 3.32Å
69Q98.4Very high98.1Very high29 Ų2941.4 Ų41.414%0.13625%0.247CC..EExtended strand (participates in β ladder)trans-93.3128.4-174.1-60.1-63.7-68.900111.7R7 F8 D40 W41 L42 P67R7-Q69 HydrophobicContact CB-CG 4.27Å; F8-Q69 HydrophobicContact CB-CB 3.76Å; F8-Q69 HydrophobicContact CB-CG 3.95Å; D40-Q69 PolarHBondContact O-N 2.93Å; W41-Q69 CarbonylContact C-O 3.16Å; W41-Q69 WeakPolarHBondContact CA-O 3.26Å; W41-Q69 VanDerWaalsContact CB-O 3.28Å; W41-Q69 WeakPolarHBondContact CB-O 3.48Å; L42-Q69 PolarHBondContact N-O 2.93Å; P67-Q69 PolarHBondContact O-N 3.5Å; P67-Q69 PolarHBondContact O-NE2 3.28Å
70P98.7Very high98.1Very high31 Ų3143.7 Ų43.720%0.20127%0.266CS..EExtended strand (participates in β ladder)trans-73.7136.6177.528.5-33.1000112L42 L60 L63L42-P70 WeakPolarHBondContact O-CA 3.17Å; L60-P70 HydrophobicContact CD2-CB 3.57Å; L60-P70 HydrophobicContact CD2-CG 3.62Å; L63-P70 HydrophobicContact CD1-CB 3.87Å
71V98.9Very high98Very high0 Ų045.2 Ų45.20%027%0.274CS..EExtended strand (participates in β ladder)trans-118.3132.9167.31790000107.3F8 W41 L42 L43 L44 T92 L94 L148F8-V71 HydrophobicContact CZ-CG2 4.43Å; W41-V71 HydrophobicContact CB-CG2 4.41Å; W41-V71 HydrophobicContact CE3-CB 4.38Å; W41-V71 HydrophobicContact CE3-CG2 3.95Å; L42-V71 PolarHBondContact O-N 2.83Å; L43-V71 CarbonylContact C-O 3.55Å; L43-V71 VanDerWaalsContact CA-O 3.26Å; L43-V71 WeakPolarHBondContact CA-O 3.39Å; L43-V71 HydrophobicContact CB-CB 4.42Å; L43-V71 HydrophobicContact CD1-CG1 4.26Å; L44-V71 PolarHBondContact N-O 3.49Å; V71-T92 HydrophobicContact CB-CG2 4.33Å; V71-T92 HydrophobicContact CG1-CG2 3.98Å; V71-T92 HydrophobicContact CG2-CG2 3.76Å; V71-L94 HydrophobicContact CG1-CB 3.93Å; V71-L148 HydrophobicContact CG1-CD1 4.3Å
72I98.9Very high98Very high1 Ų140.4 Ų40.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-107.2129.5175.4-58.9-169.1000109.9L44 L56 L60 P74 L85 A90 T92 L93 L94L44-I72 HydrophobicContact CB-CG1 4.29Å; L44-I72 HydrophobicContact CD1-CD1 4.43Å; L44-I72 HydrophobicContact CD1-CG1 4.2Å; L56-I72 HydrophobicContact CB-CD1 4.31Å; L56-I72 HydrophobicContact CD1-CG2 4.1Å; L56-I72 HydrophobicContact CD2-CD1 4.28Å; L56-I72 HydrophobicContact CD2-CG2 4.22Å; L60-I72 HydrophobicContact CD1-CD1 4.04Å; L60-I72 HydrophobicContact CD2-CD1 4.25Å; L60-I72 HydrophobicContact CG-CD1 4.24Å; I72-P74 WeakPolarHBondContact O-CD 3.05Å; I72-L85 HydrophobicContact CD1-CD2 4.36Å; I72-L85 HydrophobicContact CG2-CD1 4.03Å; I72-L85 HydrophobicContact CG2-CD2 4.14Å; I72-A90 HydrophobicContact CD1-CB 3.72Å; I72-A90 HydrophobicContact CG1-CB 4.12Å; I72-T92 PolarHBondContact N-O 2.77Å; I72-L93 HydrophobicContact CB-CD2 4.01Å; I72-L93 CarbonylContact O-C 3.56Å; I72-L93 VanDerWaalsContact O-CA 3.31Å; I72-L93 WeakPolarHBondContact O-CA 3.35Å; I72-L94 PolarHBondContact O-N 2.98Å
73R98.7Very high97.9Very high2 Ų243 Ų431%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-95105.2166.1179.7166.677.1155.4-6.7109.9W22 L43 L44 D45 G46 E47 H48 L94W22-R73 VanDerWaalsContact CZ2-CZ 3.41Å; L43-R73 HydrophobicContact CD1-CB 4.22Å; L43-R73 HydrophobicContact CD2-CB 4.06Å; L43-R73 HydrophobicContact CG-CB 4.33Å; L44-R73 PolarHBondContact O-N 2.74Å; D45-R73 IonicContact OD1-CZ 2.79Å; D45-R73 IonicContact OD1-NE 2.87Å; D45-R73 PolarHBondContact OD1-NE 3.11Å; D45-R73 IonicContact OD1-NH2 2.73Å; D45-R73 PolarHBondContact OD1-NH2 3.35Å; D45-R73 VanDerWaalsContact OD1-NH2 3.13Å; D45-R73 IonicContact OD2-CZ 2.74Å; D45-R73 IonicContact OD2-NE 3.6Å; D45-R73 IonicContact OD2-NH2 3.46Å; D45-R73 PolarHBondContact OD2-NH2 3.45Å; G46-R73 WeakPolarHBondContact CA-O 3.41Å; G46-R73 PolarHBondContact N-O 3.46Å; E47-R73 HydrophobicContact CB-CG 4.19Å; E47-R73 WeakPolarHBondContact OE2-CD 3.45Å; E47-R73 IonicContact OE2-CZ 3.13Å; E47-R73 IonicContact OE2-NE 3.76Å; E47-R73 PolarHBondContact OE2-NE 3.45Å; E47-R73 VanDerWaalsContact OE2-NE 3.15Å; E47-R73 IonicContact OE2-NH1 3.52Å; E47-R73 PolarHBondContact OE2-NH1 3.32Å; E47-R73 IonicContact OE2-NH2 2.94Å; H48-R73 PolarHBondContact CD2-NH2 3.2Å; R73-L94 VanDerWaalsContact CA-O 3.31Å; R73-L94 WeakPolarHBondContact CA-O 3.4Å; R73-L94 WeakPolarHBondContact CG-O 3.25Å
74P98.5Very high97.9Very high3 Ų347.3 Ų47.32%0.01928%0.28CS..  trans-67.7163.917427.9-33.4000111.7I72 Q76 L81 L85 L94 V95 P96I72-P74 WeakPolarHBondContact O-CD 3.05Å; P74-Q76 PolarHBondContact O-N 3Å; P74-L81 HydrophobicContact CB-CD2 3.74Å; P74-L81 HydrophobicContact CB-CG 4.34Å; P74-L85 HydrophobicContact CB-CD1 3.68Å; P74-L85 HydrophobicContact CG-CD1 4.42Å; P74-L94 WeakPolarHBondContact CD-O 3.26Å; P74-V95 HydrophobicContact CG-CG1 4.48Å; P74-V95 HydrophobicContact CG-CG2 4.22Å; P74-P96 VanDerWaalsContact O-CD 3.29Å; P74-P96 WeakPolarHBondContact O-CD 3.45Å; P74-P96 VanDerWaalsContact O-CG 3.29Å; P74-P96 WeakPolarHBondContact O-CG 2.99Å
75V97.4Very high97.9Very high83 Ų8344.4 Ų44.450%0.50326%0.256SS..SBendtrans-60.1-30.2170.7-67.60000113.5G46 L81G46-V75 WeakPolarHBondContact O-CG1 3.15Å; V75-L81 HydrophobicContact CG2-CD2 3.46Å; V75-L81 VanDerWaalsContact CG2-CD2 3.46Å
76Q97.6Very high98Very high112 Ų11239.6 Ų39.652%0.52322%0.224SC..SBendtrans-164.8166.7-18070.9-173.719.800111.2P74 D78P74-Q76 PolarHBondContact O-N 3Å; Q76-D78 HydrophobicContact CG-CB 3.92Å; Q76-D78 PolarHBondContact O-N 3.44Å
77G97.8Very high98Very high39 Ų3938 Ų3840%0.40222%0.22SC..  trans-7551.7174.900000115.8V95G77-V95 VanDerWaalsContact CA-CG1 3.45Å
78D97.6Very high98Very high63 Ų6334.5 Ų34.534%0.33720%0.196SC..  trans-92.2134.5179.2175-97.8000112.7Q76 A80 L81 I82Q76-D78 HydrophobicContact CG-CB 3.92Å; Q76-D78 PolarHBondContact O-N 3.44Å; D78-A80 VanDerWaalsContact C-N 3.34Å; D78-A80 PolarHBondContact O-N 2.93Å; D78-A80 WeakPolarHBondContact OD1-CA 3.22Å; D78-A80 VanDerWaalsContact OD1-CB 3.27Å; D78-A80 WeakPolarHBondContact OD1-CB 3.46Å; D78-A80 PolarHBondContact OD1-N 3.24Å; D78-L81 HydrophobicContact CB-CB 4.06Å; D78-L81 PolarHBondContact O-N 3.01Å; D78-L81 PolarHBondContact OD1-N 3.12Å; D78-I82 WeakPolarHBondContact O-CB 3.29Å; D78-I82 WeakPolarHBondContact O-CG1 3.4Å; D78-I82 PolarHBondContact O-N 2.76Å
79T97.8Very high98.1Very high57 Ų5735.2 Ų35.235%0.3520%0.203SC..Hα-helixtrans-64.5-35.4-176.7-62.20000112.8K83 A110 V118T79-K83 WeakPolarHBondContact O-CB 3.26Å; T79-K83 PolarHBondContact O-N 3.45Å; T79-K83 VanDerWaalsContact O-N 3.11Å; T79-A110 HydrophobicContact CG2-CB 4.14Å; T79-V118 HydrophobicContact CG2-CG2 3.91Å
80A97Very high98.1Very high48 Ų4834 Ų3440%0.39720%0.198SC..Hα-helixtrans-72.7-41.8179.200000111.4D78 K83 Q84D78-A80 VanDerWaalsContact C-N 3.34Å; D78-A80 PolarHBondContact O-N 2.93Å; D78-A80 WeakPolarHBondContact OD1-CA 3.22Å; D78-A80 VanDerWaalsContact OD1-CB 3.27Å; D78-A80 WeakPolarHBondContact OD1-CB 3.46Å; D78-A80 PolarHBondContact OD1-N 3.24Å; A80-K83 PolarHBondContact O-N 2.93Å; A80-Q84 PolarHBondContact O-N 3.23Å
81L97.4Very high98.1Very high38 Ų3834.1 Ų34.120%0.19920%0.196CC..Hα-helixtrans-62.9-49.5174.4178.361.1000111.7P74 V75 D78 K83 Q84 L85P74-L81 HydrophobicContact CB-CD2 3.74Å; P74-L81 HydrophobicContact CB-CG 4.34Å; V75-L81 HydrophobicContact CG2-CD2 3.46Å; V75-L81 VanDerWaalsContact CG2-CD2 3.46Å; D78-L81 HydrophobicContact CB-CB 4.06Å; D78-L81 PolarHBondContact O-N 3.01Å; D78-L81 PolarHBondContact OD1-N 3.12Å; L81-K83 VanDerWaalsContact C-N 3.27Å; L81-K83 PolarHBondContact O-N 3.42Å; L81-Q84 PolarHBondContact O-N 3.13Å; L81-L85 HydrophobicContact CD1-CD1 4.41Å; L81-L85 HydrophobicContact CD1-CG 4.33Å; L81-L85 HydrophobicContact CG-CD1 4.21Å; L81-L85 WeakPolarHBondContact O-CG 3.45Å; L81-L85 PolarHBondContact O-N 3.37Å
82I98.5Very high98.1Very high0 Ų034.2 Ų34.20%020%0.197CC..Hα-helixtrans-53.9-47.8176.9-74.5167.3000110D78 Q84 L85 L86 L93 L107 A110 V111D78-I82 WeakPolarHBondContact O-CB 3.29Å; D78-I82 WeakPolarHBondContact O-CG1 3.4Å; D78-I82 PolarHBondContact O-N 2.76Å; I82-Q84 VanDerWaalsContact C-N 3.34Å; I82-Q84 PolarHBondContact O-N 3.36Å; I82-L85 PolarHBondContact O-N 3.33Å; I82-L86 HydrophobicContact CG2-CD1 3.88Å; I82-L86 HydrophobicContact CG2-CG 4.23Å; I82-L86 VanDerWaalsContact O-CG 3.29Å; I82-L86 WeakPolarHBondContact O-CG 3.29Å; I82-L86 PolarHBondContact O-N 2.89Å; I82-L93 HydrophobicContact CB-CD1 4.44Å; I82-L93 HydrophobicContact CG1-CD1 4.19Å; I82-L93 HydrophobicContact CG2-CD1 3.87Å; I82-L107 HydrophobicContact CD1-CD2 3.55Å; I82-A110 HydrophobicContact CB-CB 4.49Å; I82-A110 HydrophobicContact CD1-CB 3.92Å; I82-A110 HydrophobicContact CG2-CB 4.14Å; I82-V111 HydrophobicContact CG2-CG1 3.83Å
83K97.6Very high98.1Very high68 Ų6834.3 Ų34.330%0.29620%0.197SC..Hα-helixtrans-54.6-48.3176.5-179.7-177.765.4-120.20112T79 A80 L81 L85 L86 D87 R119T79-K83 WeakPolarHBondContact O-CB 3.26Å; T79-K83 PolarHBondContact O-N 3.45Å; T79-K83 VanDerWaalsContact O-N 3.11Å; A80-K83 PolarHBondContact O-N 2.93Å; L81-K83 VanDerWaalsContact C-N 3.27Å; L81-K83 PolarHBondContact O-N 3.42Å; K83-L85 PolarHBondContact O-N 3.31Å; K83-L86 PolarHBondContact O-N 3.48Å; K83-D87 WeakPolarHBondContact O-CB 3.43Å; K83-D87 PolarHBondContact O-N 3.09Å; K83-R119 HydrophobicContact CG-CG 4.4Å
84Q97.6Very high98.1Very high94 Ų9434.3 Ų34.344%0.43920%0.197SC..Hα-helixtrans-61.9-42179.3-71.5-175.1-51.600112.6L53 A80 L81 I82 D87 I88L53-Q84 HydrophobicContact CD1-CB 3.89Å; L53-Q84 HydrophobicContact CD2-CB 3.98Å; L53-Q84 HydrophobicContact CD2-CG 4.36Å; A80-Q84 PolarHBondContact O-N 3.23Å; L81-Q84 PolarHBondContact O-N 3.13Å; I82-Q84 VanDerWaalsContact C-N 3.34Å; I82-Q84 PolarHBondContact O-N 3.36Å; Q84-D87 PolarHBondContact O-N 3.49Å; Q84-I88 PolarHBondContact O-N 3.4Å; Q84-I88 VanDerWaalsContact O-N 3.09Å
85L98.6Very high98.1Very high2 Ų234.1 Ų34.11%0.0120%0.196CC..Hα-helixtrans-63.8-43.1177.6-67177.4000112L53 L56 I72 P74 L81 I82 K83 D87 I88 A90 L93L53-L85 HydrophobicContact CD1-CD2 3.91Å; L56-L85 HydrophobicContact CD1-CD2 3.65Å; I72-L85 HydrophobicContact CD1-CD2 4.36Å; I72-L85 HydrophobicContact CG2-CD1 4.03Å; I72-L85 HydrophobicContact CG2-CD2 4.14Å; P74-L85 HydrophobicContact CB-CD1 3.68Å; P74-L85 HydrophobicContact CG-CD1 4.42Å; L81-L85 HydrophobicContact CD1-CD1 4.41Å; L81-L85 HydrophobicContact CD1-CG 4.33Å; L81-L85 HydrophobicContact CG-CD1 4.21Å; L81-L85 WeakPolarHBondContact O-CG 3.45Å; L81-L85 PolarHBondContact O-N 3.37Å; I82-L85 PolarHBondContact O-N 3.33Å; K83-L85 PolarHBondContact O-N 3.31Å; L85-D87 VanDerWaalsContact C-N 3.3Å; L85-D87 PolarHBondContact O-N 3.37Å; L85-I88 HydrophobicContact CD2-CD1 4.31Å; L85-I88 WeakPolarHBondContact O-CG1 3.35Å; L85-I88 PolarHBondContact O-N 3.41Å; L85-A90 VanDerWaalsContact O-CB 3.26Å; L85-A90 WeakPolarHBondContact O-CB 3.34Å; L85-A90 PolarHBondContact O-N 2.89Å; L85-L93 HydrophobicContact CB-CD2 4.26Å; L85-L93 HydrophobicContact CD1-CD2 4.31Å
86L98.4Very high98.1Very high3 Ų330.4 Ų30.42%0.01617%0.174CC..Hα-helixtrans-67.8-32175.8-61.3-178.8000111.8I82 K83 G89 A90 L93 V111 R119 A128 M145I82-L86 HydrophobicContact CG2-CD1 3.88Å; I82-L86 HydrophobicContact CG2-CG 4.23Å; I82-L86 VanDerWaalsContact O-CG 3.29Å; I82-L86 WeakPolarHBondContact O-CG 3.29Å; I82-L86 PolarHBondContact O-N 2.89Å; K83-L86 PolarHBondContact O-N 3.48Å; L86-G89 WeakPolarHBondContact O-CA 3.31Å; L86-G89 PolarHBondContact O-N 3.25Å; L86-G89 VanDerWaalsContact O-N 3.08Å; L86-A90 WeakPolarHBondContact CD2-O 3.42Å; L86-L93 HydrophobicContact CD2-CD1 3.86Å; L86-L93 HydrophobicContact CD2-CD2 4.42Å; L86-L93 HydrophobicContact CD2-CG 4.08Å; L86-L93 HydrophobicContact CG-CD1 4.27Å; L86-V111 HydrophobicContact CD1-CB 3.97Å; L86-V111 HydrophobicContact CD1-CG1 4.15Å; L86-R119 VanDerWaalsContact C-NH2 3.35Å; L86-R119 VanDerWaalsContact CB-NH2 3.31Å; L86-R119 PolarHBondContact O-NH2 3.5Å; L86-A128 WeakPolarHBondContact O-CB 3.36Å; L86-M145 HydrophobicContact CD1-SD 4.09Å; L86-M145 HydrophobicContact CD2-SD 3.72Å; L86-M145 HydrophobicContact CG-SD 4.38Å
87D97.9Very high98Very high31 Ų3129.5 Ų29.517%0.16617%0.171CC..Hα-helixtrans-71.9-32.4178.9-72.8-10.9000113.1K83 Q84 L85 G89 R119 A126 R127 A128K83-D87 WeakPolarHBondContact O-CB 3.43Å; K83-D87 PolarHBondContact O-N 3.09Å; Q84-D87 PolarHBondContact O-N 3.49Å; L85-D87 VanDerWaalsContact C-N 3.3Å; L85-D87 PolarHBondContact O-N 3.37Å; D87-G89 PolarHBondContact O-N 3.23Å; D87-R119 IonicContact OD1-CZ 2.84Å; D87-R119 IonicContact OD1-NE 3.41Å; D87-R119 IonicContact OD1-NH2 3.88Å; D87-R119 PolarHBondContact OD1-NH2 3.44Å; D87-A126 HydrophobicContact CB-CB 4.01Å; D87-A126 CarbonylContact O-C 3.2Å; D87-R127 PolarHBondContact O-N 2.93Å; D87-A128 PolarHBondContact O-N 2.77Å; D87-A128 VanDerWaalsContact O-N 3.13Å
88I98.1Very high98.1Very high19 Ų1927.8 Ų27.810%0.09715%0.152CC..THydrogen-bonded Turntrans-73.2-2.4169.364.8165.8000112.7L53 L56 L57 L60 Q84 L85 R127L53-I88 HydrophobicContact CD1-CD1 3.8Å; L53-I88 HydrophobicContact CD1-CG1 4.26Å; L53-I88 HydrophobicContact CD1-CG2 4.03Å; L53-I88 HydrophobicContact CG-CG2 4.18Å; L56-I88 HydrophobicContact CB-CD1 3.96Å; L57-I88 HydrophobicContact CB-CB 4.38Å; L57-I88 HydrophobicContact CB-CD1 4.26Å; L57-I88 HydrophobicContact CB-CG2 4.37Å; L57-I88 HydrophobicContact CD1-CB 4.08Å; L57-I88 HydrophobicContact CD1-CG2 4.43Å; L60-I88 HydrophobicContact CD1-CB 4.43Å; L60-I88 HydrophobicContact CD1-CD1 3.8Å; L60-I88 HydrophobicContact CD1-CG1 3.82Å; Q84-I88 PolarHBondContact O-N 3.4Å; Q84-I88 VanDerWaalsContact O-N 3.09Å; L85-I88 HydrophobicContact CD2-CD1 4.31Å; L85-I88 WeakPolarHBondContact O-CG1 3.35Å; L85-I88 PolarHBondContact O-N 3.41Å; I88-R127 VanDerWaalsContact O-CD 3.26Å; I88-R127 WeakPolarHBondContact O-CD 3.5Å; I88-R127 PolarHBondContact O-NH1 2.77Å
89G97.7Very high98.1Very high16 Ų1625.6 Ų25.617%0.16514%0.141CC..THydrogen-bonded Turntrans95.521.2170.500000114.6L86 D87L86-G89 WeakPolarHBondContact O-CA 3.31Å; L86-G89 PolarHBondContact O-N 3.25Å; L86-G89 VanDerWaalsContact O-N 3.08Å; D87-G89 PolarHBondContact O-N 3.23Å
90A98.5Very high98.1Very high3 Ų324.4 Ų24.43%0.02514%0.135CC..  trans-64.6137162.600000109.4L60 I72 L85 L86 L93L60-A90 HydrophobicContact CD1-CB 4.4Å; I72-A90 HydrophobicContact CD1-CB 3.72Å; I72-A90 HydrophobicContact CG1-CB 4.12Å; L85-A90 VanDerWaalsContact O-CB 3.26Å; L85-A90 WeakPolarHBondContact O-CB 3.34Å; L85-A90 PolarHBondContact O-N 2.89Å; L86-A90 WeakPolarHBondContact CD2-O 3.42Å; A90-L93 HydrophobicContact CB-CD2 4.11Å
91Q98.6Very high98.2Very high35 Ų3523.3 Ų23.316%0.16413%0.125CC..  trans-114-17.5175.3-59.7-169.9-73.500112.5P4 N6 M145 C146P4-Q91 PolarHBondContact O-NE2 3.04Å; N6-Q91 HydrophobicContact CB-CB 4.18Å; N6-Q91 WeakPolarHBondContact ND2-CB 3.35Å; N6-Q91 PolarHBondContact ND2-O 3.07Å; N6-Q91 VanDerWaalsContact ND2-O 3.11Å; Q91-M145 HydrophobicContact CB-CE 4.03Å; Q91-M145 HydrophobicContact CG-CE 4Å; Q91-M145 CarbonylContact O-C 3.49Å; Q91-M145 WeakPolarHBondContact O-CA 3.45Å; Q91-C146 PolarHBondContact O-N 3.37Å
92T98.9Very high98.2Very high2 Ų224.8 Ų24.81%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-126.4126.3178.1-53.60000109.5N6 F8 V71 I72 C146 L148N6-T92 PolarHBondContact ND2-OG1 3.01Å; N6-T92 PolarHBondContact OD1-OG1 2.6Å; F8-T92 HydrophobicContact CD1-CG2 3.72Å; F8-T92 HydrophobicContact CE1-CG2 3.72Å; V71-T92 HydrophobicContact CB-CG2 4.33Å; V71-T92 HydrophobicContact CG1-CG2 3.98Å; V71-T92 HydrophobicContact CG2-CG2 3.76Å; I72-T92 PolarHBondContact N-O 2.77Å; T92-C146 WeakPolarHBondContact CA-O 3.46Å; T92-C146 HydrophobicContact CG2-CB 3.84Å; T92-L148 HydrophobicContact CG2-CD1 3.89Å; T92-L148 HydrophobicContact CG2-CG 4.24Å
93L98.9Very high98.2Very high2 Ų229 Ų291%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-117.2140.5175.4-58.5-178.8000109.8I72 I82 L85 L86 A90 V95 V111 C146 L148I72-L93 HydrophobicContact CB-CD2 4.01Å; I72-L93 CarbonylContact O-C 3.56Å; I72-L93 VanDerWaalsContact O-CA 3.31Å; I72-L93 WeakPolarHBondContact O-CA 3.35Å; I82-L93 HydrophobicContact CB-CD1 4.44Å; I82-L93 HydrophobicContact CG1-CD1 4.19Å; I82-L93 HydrophobicContact CG2-CD1 3.87Å; L85-L93 HydrophobicContact CB-CD2 4.26Å; L85-L93 HydrophobicContact CD1-CD2 4.31Å; L86-L93 HydrophobicContact CD2-CD1 3.86Å; L86-L93 HydrophobicContact CD2-CD2 4.42Å; L86-L93 HydrophobicContact CD2-CG 4.08Å; L86-L93 HydrophobicContact CG-CD1 4.27Å; A90-L93 HydrophobicContact CB-CD2 4.11Å; L93-V95 HydrophobicContact CB-CG2 4.34Å; L93-V111 HydrophobicContact CD1-CG1 4.18Å; L93-C146 PolarHBondContact N-O 3.13Å; L93-L148 WeakPolarHBondContact O-CA 3.35Å; L93-L148 WeakPolarHBondContact O-CB 3.48Å; L93-L148 PolarHBondContact O-N 3.26Å
94L98.9Very high98.3Very high2 Ų225.7 Ų25.71%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-112.599.3166174.759.7000108.8W22 L43 V71 I72 R73 P74 L148 Q150 F173W22-L94 HydrophobicContact CH2-CD2 3.9Å; W22-L94 HydrophobicContact CZ3-CD2 4.42Å; L43-L94 HydrophobicContact CD1-CB 4.26Å; L43-L94 HydrophobicContact CD1-CD2 3.54Å; L43-L94 HydrophobicContact CD1-CG 4.47Å; V71-L94 HydrophobicContact CG1-CB 3.93Å; I72-L94 PolarHBondContact O-N 2.98Å; R73-L94 VanDerWaalsContact CA-O 3.31Å; R73-L94 WeakPolarHBondContact CA-O 3.4Å; R73-L94 WeakPolarHBondContact CG-O 3.25Å; P74-L94 WeakPolarHBondContact CD-O 3.26Å; L94-L148 WeakPolarHBondContact CA-O 3.41Å; L94-L148 HydrophobicContact CB-CB 4.29Å; L94-L148 HydrophobicContact CB-CD1 4.45Å; L94-L148 HydrophobicContact CD1-CB 3.66Å; L94-Q150 HydrophobicContact CD1-CB 4.04Å; L94-F173 HydrophobicContact CD1-CB 3.48Å; L94-F173 VanDerWaalsContact CD1-CB 3.48Å; L94-F173 HydrophobicContact CD1-CG 4.03Å; L94-F173 HydrophobicContact CD2-CB 4.29Å; L94-F173 HydrophobicContact CD2-CD1 4.15Å; L94-F173 HydrophobicContact CD2-CD2 4.04Å; L94-F173 HydrophobicContact CD2-CE1 4.47Å; L94-F173 HydrophobicContact CD2-CE2 4.36Å; L94-F173 HydrophobicContact CD2-CG 3.91Å
95V98.8Very high98.3Very high0 Ų026.4 Ų26.40%015%0.152CC..EExtended strand (participates in β ladder)trans-87.2123.4-173.2-1750000110.4P74 G77 L93 V98 L107 L147 L148 Q150P74-V95 HydrophobicContact CG-CG1 4.48Å; P74-V95 HydrophobicContact CG-CG2 4.22Å; G77-V95 VanDerWaalsContact CA-CG1 3.45Å; L93-V95 HydrophobicContact CB-CG2 4.34Å; V95-V98 HydrophobicContact CB-CG2 4.46Å; V95-V98 HydrophobicContact CG1-CG2 4.3Å; V95-L107 HydrophobicContact CB-CD1 3.9Å; V95-L107 HydrophobicContact CG1-CD1 3.73Å; V95-L107 HydrophobicContact CG1-CD2 3.89Å; V95-L107 HydrophobicContact CG1-CG 4.48Å; V95-L107 HydrophobicContact CG2-CD1 4.22Å; V95-L107 HydrophobicContact CG2-CD2 4.29Å; V95-L147 HydrophobicContact CG2-CD1 3.87Å; V95-L148 PolarHBondContact N-O 3.21Å; V95-Q150 VanDerWaalsContact O-CB 3.31Å; V95-Q150 WeakPolarHBondContact O-CB 3.32Å; V95-Q150 PolarHBondContact O-N 3.44Å
96P98.2Very high98.3Very high5 Ų527.9 Ų27.93%0.03217%0.168CC..SBendtrans-71.6163.7-179.932.3-35.9000112.6E47 P74 V98E47-P96 WeakPolarHBondContact OE2-CB 3.49Å; P74-P96 VanDerWaalsContact O-CD 3.29Å; P74-P96 WeakPolarHBondContact O-CD 3.45Å; P74-P96 VanDerWaalsContact O-CG 3.29Å; P74-P96 WeakPolarHBondContact O-CG 2.99Å; P96-V98 PolarHBondContact O-N 3.08Å
97M95.8Very high98.4Very high92 Ų9228.2 Ų28.245%0.45317%0.169SC..  trans54.350.3167.1-59.7-66.4-60.200114.6E152M97-E152 HydrophobicContact CG-CG 4.46Å; M97-E152 PolarHBondContact N-OE1 3.04Å; M97-E152 HydrophobicContact SD-CG 3.41Å; M97-E152 WeakPolarHBondContact SD-CG 3.25Å; M97-E152 VanDerWaalsContact SD-OE2 3.34Å
98V98.4Very high98.4Very high3 Ų327.1 Ų27.12%0.01816%0.164CC..  trans-100.2111176-177.20000110.2V95 P96 Q103 A104 L107 V149 Q150 I163V95-V98 HydrophobicContact CB-CG2 4.46Å; V95-V98 HydrophobicContact CG1-CG2 4.3Å; P96-V98 PolarHBondContact O-N 3.08Å; V98-Q103 HydrophobicContact CG1-CB 4.24Å; V98-A104 HydrophobicContact CG1-CB 4.15Å; V98-L107 HydrophobicContact CG2-CD1 3.62Å; V98-V149 HydrophobicContact CB-CB 4.01Å; V98-V149 HydrophobicContact CG1-CB 4.11Å; V98-V149 HydrophobicContact CG1-CG1 4.31Å; V98-V149 HydrophobicContact CG2-CB 3.9Å; V98-V149 HydrophobicContact CG2-CG1 4.13Å; V98-Q150 PolarHBondContact N-O 3Å; V98-I163 HydrophobicContact CG1-CG2 4.41Å
99D97.9Very high98.4Very high18 Ų1832.7 Ų32.710%0.09618%0.183CC..  trans-114.1-5.6-169.8-61-32.6000113.6N153 E155 N159D99-N153 VanDerWaalsContact OD1-CG 3.23Å; D99-N153 PolarHBondContact OD1-ND2 3.35Å; D99-N153 PolarHBondContact OD1-OD1 3.47Å; D99-N153 VanDerWaalsContact OD1-OD1 3.05Å; D99-N153 PolarHBondContact OD2-ND2 2.98Å; D99-E155 HydrophobicContact CB-CB 4.37Å; D99-E155 HydrophobicContact CB-CG 4.13Å; D99-N159 WeakPolarHBondContact O-CB 3.35Å; D99-N159 PolarHBondContact O-ND2 3Å
100S98.5Very high98.5Very high32 Ų3232 Ų3222%0.22418%0.176CC..SBendtrans-148155.8-178.566.10000114.1A102 Q103 A104S100-A102 VanDerWaalsContact C-N 3.28Å; S100-A102 PolarHBondContact O-N 3.17Å; S100-Q103 PolarHBondContact O-N 3.31Å; S100-Q103 WeakPolarHBondContact OG-CG 3.44Å; S100-Q103 PolarHBondContact OG-N 2.81Å; S100-Q103 PolarHBondContact OG-OE1 2.96Å; S100-A104 PolarHBondContact O-N 3.24Å; S100-A104 VanDerWaalsContact O-N 3.12Å
101A98.6Very high98.5Very high24 Ų2432.1 Ų32.120%0.19818%0.177CC..Hα-helixtrans-58.5-39173.100000112.2Q103 A104 E105 A162 V166A101-Q103 PolarHBondContact O-N 2.84Å; A101-A104 CarbonylContact O-C 3.6Å; A101-A104 WeakPolarHBondContact O-CB 3.41Å; A101-A104 PolarHBondContact O-N 3.03Å; A101-A104 VanDerWaalsContact O-N 3.16Å; A101-E105 WeakPolarHBondContact O-CG 3.36Å; A101-E105 PolarHBondContact O-N 2.77Å; A101-A162 HydrophobicContact CB-CB 4.09Å; A101-V166 HydrophobicContact CB-CG2 3.87Å
102A98.7Very high98.4Very high69 Ų6933.7 Ų33.757%0.5718%0.181SC*.Hα-helixtrans-63.7-39.3178.900000112.7S100 G106S100-A102 VanDerWaalsContact C-N 3.28Å; S100-A102 PolarHBondContact O-N 3.17Å; A102-G106 PolarHBondContact O-N 3.08Å
103Q98.6Very high98.3Very high88 Ų8833.9 Ų33.941%0.41118%0.182SC..Hα-helixtrans-62.7-48.1171.6-76.5170.2-22.600110.5V98 S100 A101 E105 G106 L107V98-Q103 HydrophobicContact CG1-CB 4.24Å; S100-Q103 PolarHBondContact O-N 3.31Å; S100-Q103 WeakPolarHBondContact OG-CG 3.44Å; S100-Q103 PolarHBondContact OG-N 2.81Å; S100-Q103 PolarHBondContact OG-OE1 2.96Å; A101-Q103 PolarHBondContact O-N 2.84Å; Q103-E105 PolarHBondContact O-N 2.93Å; Q103-G106 WeakPolarHBondContact O-CA 3.22Å; Q103-G106 PolarHBondContact O-N 2.91Å; Q103-G106 VanDerWaalsContact O-N 3.12Å; Q103-L107 WeakPolarHBondContact O-CG 3.19Å; Q103-L107 PolarHBondContact O-N 2.84Å
104A98.8Very high98.2Very high0 Ų037.8 Ų37.80%021%0.207CC..Hα-helixtrans-59.4-42.917800000112.8V98 S100 A101 G106 L107 V108 I163 V166 V169V98-A104 HydrophobicContact CG1-CB 4.15Å; S100-A104 PolarHBondContact O-N 3.24Å; S100-A104 VanDerWaalsContact O-N 3.12Å; A101-A104 CarbonylContact O-C 3.6Å; A101-A104 WeakPolarHBondContact O-CB 3.41Å; A101-A104 PolarHBondContact O-N 3.03Å; A101-A104 VanDerWaalsContact O-N 3.16Å; A104-G106 VanDerWaalsContact C-N 3.34Å; A104-G106 PolarHBondContact O-N 3.11Å; A104-L107 WeakPolarHBondContact O-CB 3.3Å; A104-L107 PolarHBondContact O-N 2.81Å; A104-V108 WeakPolarHBondContact O-CG2 3.33Å; A104-V108 PolarHBondContact O-N 2.85Å; A104-I163 HydrophobicContact CB-CG2 4.29Å; A104-V166 HydrophobicContact CB-CB 4.29Å; A104-V166 HydrophobicContact CB-CG1 4.35Å; A104-V166 HydrophobicContact CB-CG2 4Å; A104-V169 HydrophobicContact CB-CG2 4.03Å
105E98.6Very high98Very high109 Ų10944.3 Ų44.351%0.50925%0.25SC..Hα-helixtrans-60.6-42.2173.4-73.8170.6-172.800111.9A101 Q103 L107 V108 R109 V166A101-E105 WeakPolarHBondContact O-CG 3.36Å; A101-E105 PolarHBondContact O-N 2.77Å; Q103-E105 PolarHBondContact O-N 2.93Å; E105-L107 VanDerWaalsContact C-N 3.31Å; E105-L107 PolarHBondContact O-N 3.06Å; E105-V108 PolarHBondContact O-N 3.49Å; E105-R109 WeakPolarHBondContact O-CG 3.43Å; E105-R109 PolarHBondContact O-N 3.26Å; E105-V166 HydrophobicContact CB-CG1 4.45Å; E105-V166 HydrophobicContact CG-CG1 3.7Å; E105-V166 HydrophobicContact CG-CG2 4.03Å
106G98.6Very high97.9Very high33 Ų3346.9 Ų46.934%0.3427%0.271SS..Hα-helixtrans-57.3-43.5173.100000112.3A102 Q103 A104 R109 A110A102-G106 PolarHBondContact O-N 3.08Å; Q103-G106 WeakPolarHBondContact O-CA 3.22Å; Q103-G106 PolarHBondContact O-N 2.91Å; Q103-G106 VanDerWaalsContact O-N 3.12Å; A104-G106 VanDerWaalsContact C-N 3.34Å; A104-G106 PolarHBondContact O-N 3.11Å; G106-R109 PolarHBondContact O-N 2.83Å; G106-A110 PolarHBondContact O-N 2.99Å
107L98.8Very high97.8Very high9 Ų947 Ų475%0.04727%0.273CS..Hα-helixtrans-66.2-41.5176.7-63.7173.7000112.4I82 V95 V98 Q103 A104 E105 R109 A110 V111 L147 V149I82-L107 HydrophobicContact CD1-CD2 3.55Å; V95-L107 HydrophobicContact CB-CD1 3.9Å; V95-L107 HydrophobicContact CG1-CD1 3.73Å; V95-L107 HydrophobicContact CG1-CD2 3.89Å; V95-L107 HydrophobicContact CG1-CG 4.48Å; V95-L107 HydrophobicContact CG2-CD1 4.22Å; V95-L107 HydrophobicContact CG2-CD2 4.29Å; V98-L107 HydrophobicContact CG2-CD1 3.62Å; Q103-L107 WeakPolarHBondContact O-CG 3.19Å; Q103-L107 PolarHBondContact O-N 2.84Å; A104-L107 WeakPolarHBondContact O-CB 3.3Å; A104-L107 PolarHBondContact O-N 2.81Å; E105-L107 VanDerWaalsContact C-N 3.31Å; E105-L107 PolarHBondContact O-N 3.06Å; L107-R109 VanDerWaalsContact C-N 3.27Å; L107-R109 PolarHBondContact O-N 2.8Å; L107-A110 WeakPolarHBondContact O-CB 3.43Å; L107-A110 PolarHBondContact O-N 2.83Å; L107-V111 PolarHBondContact O-N 3.28Å; L107-V111 VanDerWaalsContact O-N 3.11Å; L107-L147 HydrophobicContact CB-CD1 4.19Å; L107-L147 HydrophobicContact CB-CD2 3.75Å; L107-V149 HydrophobicContact CD1-CG1 3.97Å
108V98.8Very high97.9Very high9 Ų945.5 Ų45.56%0.05527%0.269CS..Hα-helixtrans-57.5-43.3174.4171.20000110.7A104 E105 A110 V111 R112 L147 V166 V169A104-V108 WeakPolarHBondContact O-CG2 3.33Å; A104-V108 PolarHBondContact O-N 2.85Å; E105-V108 PolarHBondContact O-N 3.49Å; V108-A110 VanDerWaalsContact C-N 3.35Å; V108-V111 WeakPolarHBondContact O-CG2 3.39Å; V108-R112 WeakPolarHBondContact O-CG 3.3Å; V108-L147 HydrophobicContact CB-CD2 4.39Å; V108-L147 HydrophobicContact CG2-CD2 3.64Å; V108-V166 HydrophobicContact CG2-CG1 4.05Å; V108-V169 HydrophobicContact CG2-CG2 4.16Å
109R98.4Very high97.8Very high135 Ų13545.4 Ų45.451%0.50927%0.268SS..Hα-helixtrans-67.6-35175.7-67.6179.466.4-139.61.4112.2E105 G106 L107 V111 R112 G117 V118E105-R109 WeakPolarHBondContact O-CG 3.43Å; E105-R109 PolarHBondContact O-N 3.26Å; G106-R109 PolarHBondContact O-N 2.83Å; L107-R109 VanDerWaalsContact C-N 3.27Å; L107-R109 PolarHBondContact O-N 2.8Å; R109-V111 VanDerWaalsContact C-N 3.32Å; R109-V111 PolarHBondContact O-N 3Å; R109-R112 PolarHBondContact O-N 2.99Å; R109-G117 CarbonylContact O-C 3.59Å; R109-G117 WeakPolarHBondContact O-CA 3.43Å; R109-V118 HydrophobicContact CB-CG2 4.31Å; R109-V118 PolarHBondContact O-N 3.43Å
110A98.5Very high97.5Very high1 Ų146.1 Ų46.11%0.00828%0.28CS..Hα-helixtrans-68-29.5-179.400000113.4T79 I82 G106 L107 V108T79-A110 HydrophobicContact CG2-CB 4.14Å; I82-A110 HydrophobicContact CB-CB 4.49Å; I82-A110 HydrophobicContact CD1-CB 3.92Å; I82-A110 HydrophobicContact CG2-CB 4.14Å; G106-A110 PolarHBondContact O-N 2.99Å; L107-A110 WeakPolarHBondContact O-CB 3.43Å; L107-A110 PolarHBondContact O-N 2.83Å; V108-A110 VanDerWaalsContact C-N 3.35Å
111V98.3Very high97.1Very high7 Ų749.1 Ų49.14%0.04230%0.297CS..Hα-helixtrans-86.5-11.8179.5-57.50000114.4I82 L86 L93 L107 V108 R109 L147I82-V111 HydrophobicContact CG2-CG1 3.83Å; L86-V111 HydrophobicContact CD1-CB 3.97Å; L86-V111 HydrophobicContact CD1-CG1 4.15Å; L93-V111 HydrophobicContact CD1-CG1 4.18Å; L107-V111 PolarHBondContact O-N 3.28Å; L107-V111 VanDerWaalsContact O-N 3.11Å; V108-V111 WeakPolarHBondContact O-CG2 3.39Å; R109-V111 VanDerWaalsContact C-N 3.32Å; R109-V111 PolarHBondContact O-N 3Å; V111-L147 HydrophobicContact CG1-CD1 4.34Å
112R98.2Very high96.7Very high67 Ų6749.1 Ų49.125%0.25330%0.298SS..SBendtrans-108.7147.8-175.5-68.1178.4-177.3174.3-0.6113.2V108 R109 A116 G117 V118 R119 D142 G168V108-R112 WeakPolarHBondContact O-CG 3.3Å; R109-R112 PolarHBondContact O-N 2.99Å; R112-A116 HydrophobicContact CB-CB 4.36Å; R112-G117 CarbonylContact O-C 3.44Å; R112-G117 WeakPolarHBondContact O-CA 3.28Å; R112-V118 PolarHBondContact O-N 3.24Å; R112-R119 WeakPolarHBondContact O-CB 3.36Å; R112-R119 PolarHBondContact O-N 3.4Å; R112-D142 WeakPolarHBondContact CB-OD2 3.08Å; R112-D142 HydrophobicContact CG-CB 4.38Å; R112-G168 VanDerWaalsContact NH2-CA 3.27Å
113Y96.9Very high96.1Very high7 Ų746.1 Ų46.13%0.02727%0.274CS..  trans-76158.3172.2-69.2-72000111.9A116 G117 R119 G120 V121 Y137 L138 A141 D142Y113-A116 PolarHBondContact O-N 3.5Å; Y113-A116 VanDerWaalsContact O-N 3.15Å; Y113-G117 PolarHBondContact O-N 2.93Å; Y113-R119 HydrophobicContact CD1-CB 4.01Å; Y113-R119 HydrophobicContact CD1-CG 4.04Å; Y113-R119 WeakPolarHBondContact CD1-O 3.19Å; Y113-R119 HydrophobicContact CE1-CB 4.28Å; Y113-R119 HydrophobicContact CE1-CG 3.78Å; Y113-R119 HydrophobicContact CG-CB 4.49Å; Y113-R119 PolarHBondContact OH-NE 3.48Å; Y113-R119 PolarHBondContact OH-NH2 3.05Å; Y113-G120 WeakPolarHBondContact CE1-O 3.49Å; Y113-V121 HydrophobicContact CD1-CG2 3.93Å; Y113-V121 HydrophobicContact CE1-CG2 4.19Å; Y113-Y137 HydrophobicContact CE2-CE1 4.22Å; Y113-L138 HydrophobicContact CD1-CD2 3.98Å; Y113-L138 HydrophobicContact CD2-CD2 3.99Å; Y113-L138 HydrophobicContact CE1-CD2 3.67Å; Y113-L138 HydrophobicContact CE2-CD2 3.68Å; Y113-L138 HydrophobicContact CG-CD2 4.12Å; Y113-L138 VanDerWaalsContact CZ-CD2 3.5Å; Y113-A141 HydrophobicContact CE2-CB 4.01Å; Y113-D142 WeakPolarHBondContact CD2-OD1 3.46Å; Y113-D142 PolarHBondContact N-OD1 3.43Å; Y113-D142 PolarHBondContact N-OD2 2.92Å; Y113-D142 VanDerWaalsContact N-OD2 3.13Å
114P96.1Very high95.6Very high84 Ų8444.8 Ų44.855%0.54528%0.278SS..THydrogen-bonded Turntrans-56.8145.4168.4-24.834000111.7R119P114-R119 VanDerWaalsContact CD-O 3.3Å; P114-R119 WeakPolarHBondContact CD-O 3.5Å
115P95.3Very high95.5Very high139 Ų13952 Ų5290%0.90332%0.315SS*.THydrogen-bonded Turncis-85.7-9.16.434.4-36.2000114.5G117P115-G117 VanDerWaalsContact C-N 3.31Å; P115-G117 PolarHBondContact O-N 3.35Å
116A95.7Very high95.3Very high53 Ų5346.9 Ų46.944%0.43829%0.292SS..THydrogen-bonded Turntrans-74.9-21-175.600000113.4R112 Y113R112-A116 HydrophobicContact CB-CB 4.36Å; Y113-A116 PolarHBondContact O-N 3.5Å; Y113-A116 VanDerWaalsContact O-N 3.15Å
117G97.1Very high95.3Very high8 Ų846.7 Ų46.78%0.08228%0.281CS..  trans-148.3-159.4-178.400000114R109 R112 Y113 P115R109-G117 CarbonylContact O-C 3.59Å; R109-G117 WeakPolarHBondContact O-CA 3.43Å; R112-G117 CarbonylContact O-C 3.44Å; R112-G117 WeakPolarHBondContact O-CA 3.28Å; Y113-G117 PolarHBondContact O-N 2.93Å; P115-G117 VanDerWaalsContact C-N 3.31Å; P115-G117 PolarHBondContact O-N 3.35Å
118V97.4Very high95.2Very high60 Ų6046.5 Ų46.536%0.36428%0.281SS..  trans-127.79.2-174.1-62.80000112.9T79 R109 R112 G120T79-V118 HydrophobicContact CG2-CG2 3.91Å; R109-V118 HydrophobicContact CB-CG2 4.31Å; R109-V118 PolarHBondContact O-N 3.43Å; R112-V118 PolarHBondContact O-N 3.24Å; V118-G120 PolarHBondContact O-N 3.4Å
119R95.6Very high95.1Very high1 Ų146.1 Ų46.10%0.00428%0.278CS..PPolyproline II helixtrans-61.6123.9175.6-173.1-177.9172.9178.9-0.4109.9K83 L86 D87 R112 Y113 P114K83-R119 HydrophobicContact CG-CG 4.4Å; L86-R119 VanDerWaalsContact C-NH2 3.35Å; L86-R119 VanDerWaalsContact CB-NH2 3.31Å; L86-R119 PolarHBondContact O-NH2 3.5Å; D87-R119 IonicContact OD1-CZ 2.84Å; D87-R119 IonicContact OD1-NE 3.41Å; D87-R119 IonicContact OD1-NH2 3.88Å; D87-R119 PolarHBondContact OD1-NH2 3.44Å; R112-R119 WeakPolarHBondContact O-CB 3.36Å; R112-R119 PolarHBondContact O-N 3.4Å; Y113-R119 HydrophobicContact CD1-CB 4.01Å; Y113-R119 HydrophobicContact CD1-CG 4.04Å; Y113-R119 WeakPolarHBondContact CD1-O 3.19Å; Y113-R119 HydrophobicContact CE1-CB 4.28Å; Y113-R119 HydrophobicContact CE1-CG 3.78Å; Y113-R119 HydrophobicContact CG-CB 4.49Å; Y113-R119 PolarHBondContact OH-NE 3.48Å; Y113-R119 PolarHBondContact OH-NH2 3.05Å; P114-R119 VanDerWaalsContact CD-O 3.3Å; P114-R119 WeakPolarHBondContact CD-O 3.5Å
120G91.9Very high95Very high33 Ų3342.8 Ų42.834%0.3427%0.266SS..PPolyproline II helixtrans-68.3146.4176.600000112.2Y113 V118Y113-G120 WeakPolarHBondContact CE1-O 3.49Å; V118-G120 PolarHBondContact O-N 3.4Å
121V91.1Very high94.9Very high96 Ų9650 Ų5058%0.58229%0.293SS*.PPolyproline II helixtrans-86.8120.9179.5177.30000110.3Y113 L138Y113-V121 HydrophobicContact CD1-CG2 3.93Å; Y113-V121 HydrophobicContact CE1-CG2 4.19Å; V121-L138 HydrophobicContact CG1-CD1 3.68Å; V121-L138 HydrophobicContact CG1-CD2 4.15Å; V121-L138 HydrophobicContact CG2-CD1 4.27Å; V121-L138 HydrophobicContact CG2-CD2 4.29Å
122G89.9Confident94.7Very high23 Ų2354.3 Ų54.324%0.23732%0.316CS..  trans-141.224.6-178.200000113.7A124 L125 A126G122-A124 PolarHBondContact O-N 2.97Å; G122-L125 PolarHBondContact O-N 2.94Å; G122-A126 PolarHBondContact O-N 3.27Å
123S85Confident94.6Very high7 Ų754.3 Ų54.35%0.04933%0.326CS..THydrogen-bonded Turntrans-57-25.3-165.4-55.20000115.2L125 S129 N132 L138S123-L125 VanDerWaalsContact C-N 3.28Å; S123-L125 PolarHBondContact O-N 3.18Å; S123-S129 PolarHBondContact O-OG 3.4Å; S123-N132 WeakPolarHBondContact CB-OD1 3.36Å; S123-N132 PolarHBondContact O-N 2.92Å; S123-N132 PolarHBondContact O-OD1 3.37Å; S123-L138 WeakPolarHBondContact OG-CD2 3.3Å
124A89.7Confident94.6Very high60 Ų6054.3 Ų54.350%0.49633%0.327SS..THydrogen-bonded Turntrans-68.8-25.6175.600000113.5G122 N132G122-A124 PolarHBondContact O-N 2.97Å; A124-N132 WeakPolarHBondContact CA-ND2 3.21Å; A124-N132 PolarHBondContact N-OD1 3.5Å
125L95Very high94.5Very high150 Ų15054.3 Ų54.379%0.78533%0.334SS*.THydrogen-bonded Turntrans-101.2-23.9-178.2-58174.7000112.4G122 S123 W131G122-L125 PolarHBondContact O-N 2.94Å; S123-L125 VanDerWaalsContact C-N 3.28Å; S123-L125 PolarHBondContact O-N 3.18Å; L125-W131 PolarHBondContact O-NE1 3.04Å
126A95.9Very high94.4Very high3 Ų353.4 Ų53.43%0.02532%0.317CS..  trans-78133.2-170.100000113.1D87 G122 A128 S129 W131D87-A126 HydrophobicContact CB-CB 4.01Å; D87-A126 CarbonylContact O-C 3.2Å; G122-A126 PolarHBondContact O-N 3.27Å; A126-A128 HydrophobicContact CB-CB 4.45Å; A126-A128 PolarHBondContact O-N 3.06Å; A126-S129 PolarHBondContact O-OG 2.91Å; A126-W131 PolarHBondContact O-N 2.76Å; A126-W131 VanDerWaalsContact O-N 3.07Å
127R97Very high94.4Very high28 Ų2851.6 Ų51.611%0.10630%0.299CS..THydrogen-bonded Turntrans-62.7-30.7168.8172.2172.5174.9-85.96.3111.1L60 D87 I88 S129 R130 W131L60-R127 PolarHBondContact O-NH2 3.21Å; D87-R127 PolarHBondContact O-N 2.93Å; I88-R127 VanDerWaalsContact O-CD 3.26Å; I88-R127 WeakPolarHBondContact O-CD 3.5Å; I88-R127 PolarHBondContact O-NH1 2.77Å; R127-S129 PolarHBondContact O-N 3.34Å; R127-R130 PolarHBondContact O-N 3.22Å; R127-R130 PolarHBondContact O-NH1 3.06Å; R127-W131 HydrophobicContact CB-CZ2 4.35Å
128A96.9Very high94.2Very high6 Ų654.2 Ų54.25%0.0531%0.311CS..THydrogen-bonded Turntrans-59.9-40.5-176.600000113.6L86 D87 A126 R130 Y137L86-A128 WeakPolarHBondContact O-CB 3.36Å; D87-A128 PolarHBondContact O-N 2.77Å; D87-A128 VanDerWaalsContact O-N 3.13Å; A126-A128 HydrophobicContact CB-CB 4.45Å; A126-A128 PolarHBondContact O-N 3.06Å; A128-R130 VanDerWaalsContact C-N 3.3Å; A128-Y137 WeakPolarHBondContact CB-OH 3.46Å; A128-Y137 VanDerWaalsContact O-CE2 3.26Å; A128-Y137 WeakPolarHBondContact O-CE2 3.47Å
129S96.7Very high94Very high0 Ų056.4 Ų56.40%032%0.321CS..THydrogen-bonded Turntrans-87.72.8175.960.10000113.2S123 A126 R127 W131 N132 S133 V134S123-S129 PolarHBondContact O-OG 3.4Å; A126-S129 PolarHBondContact O-OG 2.91Å; R127-S129 PolarHBondContact O-N 3.34Å; S129-W131 VanDerWaalsContact C-N 3.28Å; S129-W131 PolarHBondContact O-N 2.93Å; S129-W131 PolarHBondContact OG-N 3.3Å; S129-N132 PolarHBondContact O-N 3.04Å; S129-N132 PolarHBondContact OG-N 2.81Å; S129-S133 PolarHBondContact O-N 2.94Å; S129-V134 PolarHBondContact O-N 3.1Å
130R96.2Very high94Very high65 Ų6560.4 Ų60.425%0.24534%0.339CS..THydrogen-bonded Turntrans52.245.3-167.5-55.2-63.7-175-144.35.2111.8M1 R127 A128 N132 S133 V134M1-R130 HydrophobicContact CE-CG 4.16Å; R127-R130 PolarHBondContact O-N 3.22Å; R127-R130 PolarHBondContact O-NH1 3.06Å; A128-R130 VanDerWaalsContact C-N 3.3Å; R130-N132 PolarHBondContact O-N 3.26Å; R130-S133 WeakPolarHBondContact O-CB 3.37Å; R130-S133 PolarHBondContact O-N 2.69Å; R130-S133 PolarHBondContact O-OG 2.67Å; R130-V134 HydrophobicContact CB-CG2 4.17Å; R130-V134 HydrophobicContact CG-CG2 3.89Å
131W96.8Very high94.2Very high152 Ų15258.9 Ų58.958%0.57632%0.324SS*.THydrogen-bonded Turntrans52.953.4-178.7-53.9-86.3000112.3L125 A126 R127 S129 S133L125-W131 PolarHBondContact O-NE1 3.04Å; A126-W131 PolarHBondContact O-N 2.76Å; A126-W131 VanDerWaalsContact O-N 3.07Å; R127-W131 HydrophobicContact CB-CZ2 4.35Å; S129-W131 VanDerWaalsContact C-N 3.28Å; S129-W131 PolarHBondContact O-N 2.93Å; S129-W131 PolarHBondContact OG-N 3.3Å; W131-S133 VanDerWaalsContact C-N 3.25Å; W131-S133 PolarHBondContact O-N 3.05Å
132N95Very high94.5Very high99 Ų9956.1 Ų56.153%0.52931%0.306SS..THydrogen-bonded Turntrans6415.9-174.6-67-25.1000116.1S123 A124 S129 R130 V134S123-N132 WeakPolarHBondContact CB-OD1 3.36Å; S123-N132 PolarHBondContact O-N 2.92Å; S123-N132 PolarHBondContact O-OD1 3.37Å; A124-N132 WeakPolarHBondContact CA-ND2 3.21Å; A124-N132 PolarHBondContact N-OD1 3.5Å; S129-N132 PolarHBondContact O-N 3.04Å; S129-N132 PolarHBondContact OG-N 2.81Å; R130-N132 PolarHBondContact O-N 3.26Å; N132-V134 VanDerWaalsContact C-N 3.32Å
133S96.5Very high94.8Very high67 Ų6760.6 Ų60.647%0.46932%0.32SS..THydrogen-bonded Turntrans-84.7-6.1178.3-52.80000114M1 S129 R130 W131M1-S133 WeakPolarHBondContact CB-O 3.26Å; M1-S133 PolarHBondContact N-O 3.15Å; M1-S133 VanDerWaalsContact N-O 3.08Å; S129-S133 PolarHBondContact O-N 2.94Å; R130-S133 WeakPolarHBondContact O-CB 3.37Å; R130-S133 PolarHBondContact O-N 2.69Å; R130-S133 PolarHBondContact O-OG 2.67Å; W131-S133 VanDerWaalsContact C-N 3.25Å; W131-S133 PolarHBondContact O-N 3.05Å
134V95.8Very high95.4Very high7 Ų761.3 Ų61.34%0.04232%0.323CS..SBendtrans-98.4116.4171.2179.80000108.6M1 L3 S129 R130 N132 Y137M1-V134 HydrophobicContact CB-CG2 4.12Å; L3-V134 HydrophobicContact CB-CG1 4.08Å; L3-V134 HydrophobicContact CD1-CG1 4.15Å; S129-V134 PolarHBondContact O-N 3.1Å; R130-V134 HydrophobicContact CB-CG2 4.17Å; R130-V134 HydrophobicContact CG-CG2 3.89Å; N132-V134 VanDerWaalsContact C-N 3.32Å; V134-Y137 HydrophobicContact CB-CD2 4.28Å; V134-Y137 HydrophobicContact CG1-CD2 4.13Å
135A93.4Very high95.8Very high83 Ų8358.9 Ų58.969%0.68630%0.301SS*.THydrogen-bonded Turntrans-63.4143.2177.200000110.7Y137A135-Y137 PolarHBondContact O-N 2.99Å
136E92.9Very high96Very high120 Ų12051.9 Ų51.956%0.56127%0.265SS*.THydrogen-bonded Turntrans51.227177.5-55.6-55105.900114.5L138 N139 H140E136-L138 VanDerWaalsContact C-N 3.27Å; E136-L138 PolarHBondContact O-N 3.27Å; E136-N139 HydrophobicContact CB-CB 4.41Å; E136-N139 WeakPolarHBondContact O-CB 3.12Å; E136-N139 PolarHBondContact O-N 3.47Å; E136-N139 PolarHBondContact OE2-ND2 3.18Å; E136-H140 PolarHBondContact O-CD2 2.95Å; E136-H140 PolarHBondContact O-N 3.49Å
137Y95.6Very high96.1Very high15 Ų1551.8 Ų51.86%0.05926%0.264CS..Hα-helixtrans-52-45.3-174.8174.7-98.6000112.6L3 Y113 A128 V134 A135 N139 H140 A141L3-Y137 HydrophobicContact CD1-CD2 3.5Å; L3-Y137 HydrophobicContact CD1-CE2 3.74Å; Y113-Y137 HydrophobicContact CE2-CE1 4.22Å; A128-Y137 WeakPolarHBondContact CB-OH 3.46Å; A128-Y137 VanDerWaalsContact O-CE2 3.26Å; A128-Y137 WeakPolarHBondContact O-CE2 3.47Å; V134-Y137 HydrophobicContact CB-CD2 4.28Å; V134-Y137 HydrophobicContact CG1-CD2 4.13Å; A135-Y137 PolarHBondContact O-N 2.99Å; Y137-N139 PolarHBondContact O-N 3.4Å; Y137-H140 PolarHBondContact O-N 3.29Å; Y137-A141 HydrophobicContact CD1-CB 4.18Å; Y137-A141 HydrophobicContact CD2-CB 4.24Å; Y137-A141 HydrophobicContact CE1-CB 3.75Å; Y137-A141 HydrophobicContact CE2-CB 3.81Å; Y137-A141 HydrophobicContact CG-CB 4.4Å; Y137-A141 WeakPolarHBondContact O-CB 3.1Å; Y137-A141 PolarHBondContact O-N 3.15Å
138L93.5Very high96.2Very high63 Ų6350.5 Ų50.533%0.3326%0.259SS..Hα-helixtrans-62.6-27.7-178.9-66.3176.6000113.1Y113 V121 S123 E136Y113-L138 HydrophobicContact CD1-CD2 3.98Å; Y113-L138 HydrophobicContact CD2-CD2 3.99Å; Y113-L138 HydrophobicContact CE1-CD2 3.67Å; Y113-L138 HydrophobicContact CE2-CD2 3.68Å; Y113-L138 HydrophobicContact CG-CD2 4.12Å; Y113-L138 VanDerWaalsContact CZ-CD2 3.5Å; V121-L138 HydrophobicContact CG1-CD1 3.68Å; V121-L138 HydrophobicContact CG1-CD2 4.15Å; V121-L138 HydrophobicContact CG2-CD1 4.27Å; V121-L138 HydrophobicContact CG2-CD2 4.29Å; S123-L138 WeakPolarHBondContact OG-CD2 3.3Å; E136-L138 VanDerWaalsContact C-N 3.27Å; E136-L138 PolarHBondContact O-N 3.27Å
139N93.2Very high96.3Very high107 Ų10750.2 Ų50.257%0.57226%0.257SS*.Hα-helixtrans-81.1-21.2-178.6-64.9-19.1000112.5E136 Y137E136-N139 HydrophobicContact CB-CB 4.41Å; E136-N139 WeakPolarHBondContact O-CB 3.12Å; E136-N139 PolarHBondContact O-N 3.47Å; E136-N139 PolarHBondContact OE2-ND2 3.18Å; Y137-N139 PolarHBondContact O-N 3.4Å
140H95.4Very high96.4Very high84 Ų8450.4 Ų50.439%0.38926%0.258SS..Hα-helixtrans-120.3-15.4-173.4-61-64000114.4L3 E136 Y137 D142 E143L3-H140 HydrophobicContact CD2-CB 3.6Å; E136-H140 PolarHBondContact O-CD2 2.95Å; E136-H140 PolarHBondContact O-N 3.49Å; Y137-H140 PolarHBondContact O-N 3.29Å; H140-D142 VanDerWaalsContact C-N 3.31Å; H140-D142 PolarHBondContact O-N 3.3Å; H140-E143 IonicContact ND1-OE1 3.39Å; H140-E143 WeakPolarHBondContact O-CB 3.31Å; H140-E143 PolarHBondContact O-N 2.99Å
141A96.5Very high96.5Very high1 Ų147.4 Ų47.41%0.00825%0.247CC..G310 helixtrans-59.9-38.8-174.300000113.1Y113 Y137 E143 Q144 M145Y113-A141 HydrophobicContact CE2-CB 4.01Å; Y137-A141 HydrophobicContact CD1-CB 4.18Å; Y137-A141 HydrophobicContact CD2-CB 4.24Å; Y137-A141 HydrophobicContact CE1-CB 3.75Å; Y137-A141 HydrophobicContact CE2-CB 3.81Å; Y137-A141 HydrophobicContact CG-CB 4.4Å; Y137-A141 WeakPolarHBondContact O-CB 3.1Å; Y137-A141 PolarHBondContact O-N 3.15Å; A141-E143 PolarHBondContact O-N 3.26Å; A141-Q144 PolarHBondContact O-N 3.4Å; A141-M145 PolarHBondContact O-N 3.02Å
142D97.4Very high96.4Very high38 Ų3840.3 Ų40.320%0.20322%0.22CC..G310 helixtrans-61.4-30.4-177.1-73.11.1000112.3R112 Y113 H140 Q144 M145R112-D142 WeakPolarHBondContact CB-OD2 3.08Å; R112-D142 HydrophobicContact CG-CB 4.38Å; Y113-D142 WeakPolarHBondContact CD2-OD1 3.46Å; Y113-D142 PolarHBondContact N-OD1 3.43Å; Y113-D142 PolarHBondContact N-OD2 2.92Å; Y113-D142 VanDerWaalsContact N-OD2 3.13Å; H140-D142 VanDerWaalsContact C-N 3.31Å; H140-D142 PolarHBondContact O-N 3.3Å; D142-Q144 PolarHBondContact O-N 3.47Å; D142-M145 PolarHBondContact O-N 3.12Å
143E96.5Very high96.3Very high117 Ų11737 Ų3755%0.54720%0.203SC..G310 helixtrans-62.8-28.9176.2-61.6175.7-169.900112K9 H140 A141K9-E143 PolarHBondContact NZ-O 3.24Å; H140-E143 IonicContact ND1-OE1 3.39Å; H140-E143 WeakPolarHBondContact O-CB 3.31Å; H140-E143 PolarHBondContact O-N 2.99Å; A141-E143 PolarHBondContact O-N 3.26Å
144Q97.5Very high96.3Very high23 Ų2338.4 Ų38.411%0.10720%0.204CC..G310 helixtrans-93.4-6.1-177.2-51-55.4-43.700113.3L3 N6 A141 D142L3-Q144 HydrophobicContact CD2-CG 3.74Å; L3-Q144 HydrophobicContact CG-CG 4.19Å; N6-Q144 HydrophobicContact CB-CB 4.25Å; N6-Q144 WeakPolarHBondContact CB-O 3.31Å; N6-Q144 PolarHBondContact ND2-O 3.39Å; A141-Q144 PolarHBondContact O-N 3.4Å; D142-Q144 PolarHBondContact O-N 3.47Å
145M98.3Very high96.4Very high8 Ų843.7 Ų43.74%0.03923%0.228CC..  trans-78.5124.1177.7-60.7-61.590.100110.3K9 L86 Q91 A141 D142K9-M145 VanDerWaalsContact CE-O 3.32Å; K9-M145 WeakPolarHBondContact CE-O 3.32Å; K9-M145 PolarHBondContact NZ-O 2.94Å; L86-M145 HydrophobicContact CD1-SD 4.09Å; L86-M145 HydrophobicContact CD2-SD 3.72Å; L86-M145 HydrophobicContact CG-SD 4.38Å; Q91-M145 HydrophobicContact CB-CE 4.03Å; Q91-M145 HydrophobicContact CG-CE 4Å; Q91-M145 CarbonylContact O-C 3.49Å; Q91-M145 WeakPolarHBondContact O-CA 3.45Å; A141-M145 PolarHBondContact O-N 3.02Å; D142-M145 PolarHBondContact O-N 3.12Å
146C98.6Very high96.6Very high3 Ų339.7 Ų39.72%0.0220%0.196CC..EExtended strand (participates in β ladder)trans-111.2118.1176.2-173.20000109.7N6 K9 Q91 T92 L93 D170N6-C146 WeakPolarHBondContact ND2-CB 3.48Å; K9-C146 HydrophobicContact CB-CB 3.89Å; K9-C146 HydrophobicContact CD-CB 3.98Å; K9-C146 HydrophobicContact CG-CB 3.97Å; Q91-C146 PolarHBondContact O-N 3.37Å; T92-C146 WeakPolarHBondContact CA-O 3.46Å; T92-C146 HydrophobicContact CG2-CB 3.84Å; L93-C146 PolarHBondContact N-O 3.13Å; C146-D170 VanDerWaalsContact CA-OD2 3.25Å; C146-D170 WeakPolarHBondContact CA-OD2 3.49Å
147L98.8Very high96.9Very high1 Ų135.2 Ų35.21%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-107.3112.7178.9178.864.7000110.1V95 L107 V108 V111 V149 V169 D170 G171V95-L147 HydrophobicContact CG2-CD1 3.87Å; L107-L147 HydrophobicContact CB-CD1 4.19Å; L107-L147 HydrophobicContact CB-CD2 3.75Å; V108-L147 HydrophobicContact CB-CD2 4.39Å; V108-L147 HydrophobicContact CG2-CD2 3.64Å; V111-L147 HydrophobicContact CG1-CD1 4.34Å; L147-V149 HydrophobicContact CG-CG1 4.28Å; L147-V169 HydrophobicContact CD2-CG2 4.37Å; L147-D170 PolarHBondContact N-OD2 3.09Å; L147-D170 PolarHBondContact O-N 2.86Å; L147-G171 PolarHBondContact O-N 2.67Å
148L98.9Very high97Very high2 Ų238 Ų381%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-102.8137.1167.7-48.1169.6000108.3F8 L12 V71 T92 L93 L94 V95 G171 F232F8-L148 HydrophobicContact CE1-CD1 3.87Å; F8-L148 HydrophobicContact CE1-CD2 4.39Å; F8-L148 HydrophobicContact CZ-CD1 4.07Å; L12-L148 HydrophobicContact CD1-CD2 3.9Å; V71-L148 HydrophobicContact CG1-CD1 4.3Å; T92-L148 HydrophobicContact CG2-CD1 3.89Å; T92-L148 HydrophobicContact CG2-CG 4.24Å; L93-L148 WeakPolarHBondContact O-CA 3.35Å; L93-L148 WeakPolarHBondContact O-CB 3.48Å; L93-L148 PolarHBondContact O-N 3.26Å; L94-L148 WeakPolarHBondContact CA-O 3.41Å; L94-L148 HydrophobicContact CB-CB 4.29Å; L94-L148 HydrophobicContact CB-CD1 4.45Å; L94-L148 HydrophobicContact CD1-CB 3.66Å; V95-L148 PolarHBondContact N-O 3.21Å; L148-G171 WeakPolarHBondContact CA-O 3.39Å; L148-F232 HydrophobicContact CD1-CD2 4.21Å; L148-F232 HydrophobicContact CD1-CE2 3.72Å; L148-F232 HydrophobicContact CD1-CZ 4.23Å; L148-F232 HydrophobicContact CD2-CE1 4.21Å; L148-F232 HydrophobicContact CD2-CE2 4.15Å; L148-F232 HydrophobicContact CD2-CZ 3.79Å; L148-F232 HydrophobicContact CG-CE2 4.4Å; L148-F232 HydrophobicContact CG-CZ 4.45Å
149V98.8Very high97.2Very high0 Ų037.8 Ų37.80%020%0.201CC..EExtended strand (participates in β ladder)trans-115.1138.7175.8-62.70000109.7V98 L107 L147 I163 V169 G171 V172 F173V98-V149 HydrophobicContact CB-CB 4.01Å; V98-V149 HydrophobicContact CG1-CB 4.11Å; V98-V149 HydrophobicContact CG1-CG1 4.31Å; V98-V149 HydrophobicContact CG2-CB 3.9Å; V98-V149 HydrophobicContact CG2-CG1 4.13Å; L107-V149 HydrophobicContact CD1-CG1 3.97Å; L147-V149 HydrophobicContact CG-CG1 4.28Å; V149-I163 HydrophobicContact CG2-CG2 3.7Å; V149-V169 HydrophobicContact CG1-CG1 4.44Å; V149-V169 HydrophobicContact CG1-CG2 4.25Å; V149-V169 HydrophobicContact CG2-CG1 3.81Å; V149-G171 PolarHBondContact N-O 3.4Å; V149-V172 HydrophobicContact CG2-CB 4.44Å; V149-V172 HydrophobicContact CG2-CG1 4.39Å; V149-V172 HydrophobicContact CG2-CG2 3.92Å; V149-V172 CarbonylContact O-C 3.52Å; V149-V172 WeakPolarHBondContact O-CA 3.49Å; V149-F173 PolarHBondContact O-N 3.29Å
150Q98.7Very high97.5Very high3 Ų332.7 Ų32.71%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-100.8123.9-179.7-174.7165-6200110.2L94 V95 V98 E152 F173L94-Q150 HydrophobicContact CD1-CB 4.04Å; V95-Q150 VanDerWaalsContact O-CB 3.31Å; V95-Q150 WeakPolarHBondContact O-CB 3.32Å; V95-Q150 PolarHBondContact O-N 3.44Å; V98-Q150 PolarHBondContact N-O 3Å; Q150-E152 HydrophobicContact CG-CB 4.31Å; Q150-E152 WeakPolarHBondContact CG-OE1 3.43Å; Q150-E152 PolarHBondContact NE2-OE1 3.44Å; Q150-F173 CarbonylContact C-O 3.49Å; Q150-F173 VanDerWaalsContact CA-O 3.3Å; Q150-F173 WeakPolarHBondContact CA-O 3.27Å; Q150-F173 HydrophobicContact CG-CD1 3.96Å
151V98.3Very high97.6Very high2 Ų232.5 Ų32.51%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-104.9120.3172.4170.50000107.7L160 I163 V172 F173 I174 G175V151-L160 HydrophobicContact CG2-CD1 4.1Å; V151-I163 HydrophobicContact CG2-CD1 3.96Å; V151-V172 HydrophobicContact CB-CG1 4.25Å; V151-V172 HydrophobicContact CG2-CG1 3.77Å; V151-F173 PolarHBondContact N-O 3.39Å; V151-I174 HydrophobicContact CB-CD1 4.19Å; V151-I174 HydrophobicContact CG1-CD1 4.47Å; V151-I174 WeakPolarHBondContact O-CA 3.43Å; V151-G175 PolarHBondContact O-N 2.77Å
152E94.1Very high97.8Very high4 Ų434.8 Ų34.82%0.01919%0.194CC..  trans-142.46-16766.7-173.593.800114.2M97 Q150 D178 L179M97-E152 HydrophobicContact CG-CG 4.46Å; M97-E152 PolarHBondContact N-OE1 3.04Å; M97-E152 HydrophobicContact SD-CG 3.41Å; M97-E152 WeakPolarHBondContact SD-CG 3.25Å; M97-E152 VanDerWaalsContact SD-OE2 3.34Å; Q150-E152 HydrophobicContact CG-CB 4.31Å; Q150-E152 WeakPolarHBondContact CG-OE1 3.43Å; Q150-E152 PolarHBondContact NE2-OE1 3.44Å; E152-D178 HydrophobicContact CB-CB 4.05Å; E152-D178 HydrophobicContact CG-CB 4.37Å; E152-D178 CarbonylContact O-C 3.59Å; E152-L179 VanDerWaalsContact O-CA 3.3Å; E152-L179 WeakPolarHBondContact O-CA 3.22Å; E152-L179 PolarHBondContact O-N 3.37Å
153N94Very high97.8Very high30 Ų3033 Ų3316%0.1618%0.184CC..SBendtrans-137.8177.8174.571.934.7000111.8D99 E155 G156 L157 A182D99-N153 VanDerWaalsContact OD1-CG 3.23Å; D99-N153 PolarHBondContact OD1-ND2 3.35Å; D99-N153 PolarHBondContact OD1-OD1 3.47Å; D99-N153 VanDerWaalsContact OD1-OD1 3.05Å; D99-N153 PolarHBondContact OD2-ND2 2.98Å; N153-E155 PolarHBondContact O-N 2.95Å; N153-E155 WeakPolarHBondContact OD1-CA 3Å; N153-E155 WeakPolarHBondContact OD1-CB 3.3Å; N153-E155 PolarHBondContact OD1-N 2.99Å; N153-G156 PolarHBondContact OD1-N 2.83Å; N153-L157 WeakPolarHBondContact O-CB 3.21Å; N153-L157 PolarHBondContact O-N 3.08Å; N153-L157 VanDerWaalsContact O-N 3.07Å; N153-A182 HydrophobicContact CB-CB 4.38Å
154L96.2Very high97.9Very high95 Ų9527.4 Ų27.450%0.49716%0.158SC..Hα-helixtrans-67.7-32.2-178-65.5178.9000113.6L157 A158 A182 M183L154-L157 PolarHBondContact O-N 3.18Å; L154-A158 WeakPolarHBondContact O-CB 3.44Å; L154-A158 PolarHBondContact O-N 2.9Å; L154-A182 HydrophobicContact CG-CB 4.38Å; L154-M183 HydrophobicContact CD2-CG 3.76Å
155E97.9Very high98Very high118 Ų11830 Ų3055%0.55118%0.183SC*.Hα-helixtrans-68.9-49.3179.1-175.8176.2173.900110.6D99 N153 L157 A158 N159D99-E155 HydrophobicContact CB-CB 4.37Å; D99-E155 HydrophobicContact CB-CG 4.13Å; N153-E155 PolarHBondContact O-N 2.95Å; N153-E155 WeakPolarHBondContact OD1-CA 3Å; N153-E155 WeakPolarHBondContact OD1-CB 3.3Å; N153-E155 PolarHBondContact OD1-N 2.99Å; E155-L157 VanDerWaalsContact C-N 3.28Å; E155-L157 PolarHBondContact O-N 3.3Å; E155-A158 WeakPolarHBondContact O-CB 3.07Å; E155-A158 PolarHBondContact O-N 2.9Å; E155-N159 PolarHBondContact O-N 3.31Å; E155-N159 PolarHBondContact O-ND2 3.44Å
156G98Very high98Very high0 Ų030 Ų300%018%0.184CC..Hα-helixtrans-60.5-37.4173.700000112.7N153 N159 L160N153-G156 PolarHBondContact OD1-N 2.83Å; G156-N159 CarbonylContact O-C 3.43Å; G156-N159 PolarHBondContact O-N 2.83Å; G156-L160 WeakPolarHBondContact O-CA 3.47Å; G156-L160 PolarHBondContact O-N 3.34Å
157L97.7Very high98Very high25 Ų2537.6 Ų37.613%0.13122%0.219CC..Hα-helixtrans-66.7-37.9176.2-174.362.2000112.5N153 L154 E155 N159 L160 L179 A197 A201 R204N153-L157 WeakPolarHBondContact O-CB 3.21Å; N153-L157 PolarHBondContact O-N 3.08Å; N153-L157 VanDerWaalsContact O-N 3.07Å; L154-L157 PolarHBondContact O-N 3.18Å; E155-L157 VanDerWaalsContact C-N 3.28Å; E155-L157 PolarHBondContact O-N 3.3Å; L157-N159 VanDerWaalsContact C-N 3.34Å; L157-L160 HydrophobicContact CD1-CD2 4.14Å; L157-L160 WeakPolarHBondContact O-CB 3.46Å; L157-L160 PolarHBondContact O-N 2.81Å; L157-L179 HydrophobicContact CD2-CD1 4.26Å; L157-A197 HydrophobicContact CD2-CB 4.07Å; L157-A201 HydrophobicContact CD1-CB 3.8Å; L157-R204 PolarHBondContact O-NH1 3.23Å
158A98.3Very high97.9Very high73 Ų7338.2 Ų38.260%0.60323%0.225SC*.Hα-helixtrans-64.9-39.5173.800000111.5L154 E155 L160L154-A158 WeakPolarHBondContact O-CB 3.44Å; L154-A158 PolarHBondContact O-N 2.9Å; E155-A158 WeakPolarHBondContact O-CB 3.07Å; E155-A158 PolarHBondContact O-N 2.9Å; A158-L160 VanDerWaalsContact C-N 3.33Å
159N98.6Very high97.9Very high60 Ų6038.2 Ų38.232%0.32123%0.225SC..THydrogen-bonded Turntrans-88.56.7-179.8-68.2-34.7000114.4D99 E155 G156 L157 D161 A162 I163D99-N159 WeakPolarHBondContact O-CB 3.35Å; D99-N159 PolarHBondContact O-ND2 3Å; E155-N159 PolarHBondContact O-N 3.31Å; E155-N159 PolarHBondContact O-ND2 3.44Å; G156-N159 CarbonylContact O-C 3.43Å; G156-N159 PolarHBondContact O-N 2.83Å; L157-N159 VanDerWaalsContact C-N 3.34Å; N159-D161 VanDerWaalsContact C-N 3.33Å; N159-D161 PolarHBondContact O-N 3.26Å; N159-A162 WeakPolarHBondContact O-CB 3.34Å; N159-A162 PolarHBondContact O-N 3.28Å; N159-I163 HydrophobicContact CB-CD1 4.14Å; N159-I163 HydrophobicContact CB-CG1 4.42Å; N159-I163 WeakPolarHBondContact O-CG1 3.43Å; N159-I163 PolarHBondContact O-N 3.35Å
160L98.8Very high97.9Very high0 Ų039.8 Ų39.80%023%0.234CC..Hα-helixtrans-54.6-44-169.3178.762.8000113.5V151 G156 L157 A158 A162 I163 A164 V172 A201 R204 I205V151-L160 HydrophobicContact CG2-CD1 4.1Å; G156-L160 WeakPolarHBondContact O-CA 3.47Å; G156-L160 PolarHBondContact O-N 3.34Å; L157-L160 HydrophobicContact CD1-CD2 4.14Å; L157-L160 WeakPolarHBondContact O-CB 3.46Å; L157-L160 PolarHBondContact O-N 2.81Å; A158-L160 VanDerWaalsContact C-N 3.33Å; L160-A162 VanDerWaalsContact C-N 3.32Å; L160-A162 PolarHBondContact O-N 3.12Å; L160-I163 PolarHBondContact O-N 3.4Å; L160-A164 VanDerWaalsContact O-CB 3.26Å; L160-A164 WeakPolarHBondContact O-CB 3.48Å; L160-A164 PolarHBondContact O-N 3.31Å; L160-V172 HydrophobicContact CD1-CG1 3.78Å; L160-A201 HydrophobicContact CD2-CB 3.62Å; L160-R204 HydrophobicContact CD2-CB 4.03Å; L160-I205 HydrophobicContact CD1-CD1 4.11Å; L160-I205 HydrophobicContact CD1-CG1 3.81Å; L160-I205 HydrophobicContact CD2-CD1 4.45Å; L160-I205 HydrophobicContact CD2-CG1 4.13Å; L160-I205 HydrophobicContact CG-CG1 4.23Å
161D98.7Very high97.9Very high80 Ų8039.6 Ų39.643%0.42823%0.233SC..Hα-helixtrans-65.9-37.1-179.6-57.7-40.7000111.7N159 A164 A165 R204N159-D161 VanDerWaalsContact C-N 3.33Å; N159-D161 PolarHBondContact O-N 3.26Å; D161-A164 PolarHBondContact O-N 3.15Å; D161-A165 VanDerWaalsContact O-CB 3.27Å; D161-A165 WeakPolarHBondContact O-CB 3.28Å; D161-A165 PolarHBondContact O-N 3.15Å; D161-R204 IonicContact OD1-CZ 2.9Å; D161-R204 IonicContact OD1-NE 3.94Å; D161-R204 PolarHBondContact OD1-NE 3.35Å; D161-R204 IonicContact OD1-NH2 3.81Å; D161-R204 PolarHBondContact OD1-NH2 2.95Å; D161-R204 IonicContact OD2-CZ 3.65Å; D161-R204 IonicContact OD2-NE 3.79Å; D161-R204 PolarHBondContact OD2-NE 3.36Å; D161-R204 IonicContact OD2-NH2 3.22Å; D161-R204 PolarHBondContact OD2-NH2 2.9Å
162A98.8Very high97.9Very high48 Ų4839.5 Ų39.540%0.39723%0.233SC..Hα-helixtrans-69.5-41.1177.300000111.2A101 N159 L160 A165A101-A162 HydrophobicContact CB-CB 4.09Å; N159-A162 WeakPolarHBondContact O-CB 3.34Å; N159-A162 PolarHBondContact O-N 3.28Å; L160-A162 VanDerWaalsContact C-N 3.32Å; L160-A162 PolarHBondContact O-N 3.12Å; A162-A165 PolarHBondContact O-N 3.27Å
163I98.8Very high98.1Very high0 Ų039.4 Ų39.40%023%0.232CC..Hα-helixtrans-61.9-47.7173.7-65.7165.2000110.2V98 A104 V149 V151 N159 L160 A165 V166V98-I163 HydrophobicContact CG1-CG2 4.41Å; A104-I163 HydrophobicContact CB-CG2 4.29Å; V149-I163 HydrophobicContact CG2-CG2 3.7Å; V151-I163 HydrophobicContact CG2-CD1 3.96Å; N159-I163 HydrophobicContact CB-CD1 4.14Å; N159-I163 HydrophobicContact CB-CG1 4.42Å; N159-I163 WeakPolarHBondContact O-CG1 3.43Å; N159-I163 PolarHBondContact O-N 3.35Å; L160-I163 PolarHBondContact O-N 3.4Å; I163-A165 PolarHBondContact O-N 3.35Å; I163-V166 WeakPolarHBondContact O-CB 3.26Å; I163-V166 PolarHBondContact O-N 2.92Å
164A98.6Very high98.3Very high0 Ų038 Ų380%023%0.225CC..Hα-helixtrans-68.4-22.3179.800000112.7L160 D161 V166 V172 A208 K210L160-A164 VanDerWaalsContact O-CB 3.26Å; L160-A164 WeakPolarHBondContact O-CB 3.48Å; L160-A164 PolarHBondContact O-N 3.31Å; D161-A164 PolarHBondContact O-N 3.15Å; A164-V166 VanDerWaalsContact C-N 3.3Å; A164-V172 HydrophobicContact CB-CG2 4.35Å; A164-A208 HydrophobicContact CB-CB 3.72Å; A164-K210 HydrophobicContact CB-CG 4.21Å; A164-K210 WeakPolarHBondContact O-CE 3.4Å; A164-K210 VanDerWaalsContact O-CG 3.3Å; A164-K210 WeakPolarHBondContact O-CG 3.46Å
165A98.6Very high98.3Very high77 Ų7733.7 Ų33.764%0.63620%0.203SC*.Hα-helixtrans-76.1-14.8174.600000113.7D161 A162 I163 E167D161-A165 VanDerWaalsContact O-CB 3.27Å; D161-A165 WeakPolarHBondContact O-CB 3.28Å; D161-A165 PolarHBondContact O-N 3.15Å; A162-A165 PolarHBondContact O-N 3.27Å; I163-A165 PolarHBondContact O-N 3.35Å; A165-E167 PolarHBondContact O-N 3.07Å
166V98.7Very high98.1Very high9 Ų928.3 Ų28.36%0.05518%0.178CC..SBendtrans-64.5123.8-178177.90000111.1A101 A104 E105 V108 I163 A164 G168 V169 K210A101-V166 HydrophobicContact CB-CG2 3.87Å; A104-V166 HydrophobicContact CB-CB 4.29Å; A104-V166 HydrophobicContact CB-CG1 4.35Å; A104-V166 HydrophobicContact CB-CG2 4Å; E105-V166 HydrophobicContact CB-CG1 4.45Å; E105-V166 HydrophobicContact CG-CG1 3.7Å; E105-V166 HydrophobicContact CG-CG2 4.03Å; V108-V166 HydrophobicContact CG2-CG1 4.05Å; I163-V166 WeakPolarHBondContact O-CB 3.26Å; I163-V166 PolarHBondContact O-N 2.92Å; A164-V166 VanDerWaalsContact C-N 3.3Å; V166-G168 PolarHBondContact O-N 3.48Å; V166-V169 HydrophobicContact CB-CG2 3.98Å; V166-V169 HydrophobicContact CG1-CG2 4.04Å; V166-V169 PolarHBondContact O-N 2.92Å; V166-K210 PolarHBondContact O-NZ 3.33Å; V166-K210 VanDerWaalsContact O-NZ 3.13Å
167E98Very high97.9Very high163 Ų16329.4 Ų29.476%0.76219%0.187SC*.THydrogen-bonded Turntrans-67.8128174.4-169.4-173.6158.600110.4A165A165-E167 PolarHBondContact O-N 3.07Å
168G97.8Very high97.7Very high13 Ų1331 Ų3113%0.13420%0.196CC..THydrogen-bonded Turntrans98.9-11.7-177.700000115.1R112 V166R112-G168 VanDerWaalsContact NH2-CA 3.27Å; V166-G168 PolarHBondContact O-N 3.48Å
169V98.6Very high97.5Very high2 Ų227.7 Ų27.71%0.01217%0.168CC..  trans-75123.7159.9175.20000107.9A104 V108 L147 V149 V166 G171 V172 K210A104-V169 HydrophobicContact CB-CG2 4.03Å; V108-V169 HydrophobicContact CG2-CG2 4.16Å; L147-V169 HydrophobicContact CD2-CG2 4.37Å; V149-V169 HydrophobicContact CG1-CG1 4.44Å; V149-V169 HydrophobicContact CG1-CG2 4.25Å; V149-V169 HydrophobicContact CG2-CG1 3.81Å; V166-V169 HydrophobicContact CB-CG2 3.98Å; V166-V169 HydrophobicContact CG1-CG2 4.04Å; V166-V169 PolarHBondContact O-N 2.92Å; V169-G171 WeakPolarHBondContact CG1-O 3.49Å; V169-V172 HydrophobicContact CG1-CG2 4.37Å; V169-K210 WeakPolarHBondContact O-CD 3.3Å; V169-K210 WeakPolarHBondContact O-CE 3.48Å; V169-K210 PolarHBondContact O-NZ 3.01Å
170D98.3Very high97.3Very high33 Ų3324.9 Ų24.918%0.17615%0.153CC..  trans-91.9-27.1-179.6-64.9-75.9000112K9 C146 L147 A211K9-D170 WeakPolarHBondContact CE-OD1 3.36Å; C146-D170 VanDerWaalsContact CA-OD2 3.25Å; C146-D170 WeakPolarHBondContact CA-OD2 3.49Å; L147-D170 PolarHBondContact N-OD2 3.09Å; L147-D170 PolarHBondContact O-N 2.86Å; D170-A211 PolarHBondContact O-N 2.97Å
171G98.2Very high97.1Very high0 Ų026.5 Ų26.50%017%0.166CC..EExtended strand (participates in β ladder)trans-161.3159.6178.600000113.5L147 L148 V149 V169 A211L147-G171 PolarHBondContact O-N 2.67Å; L148-G171 WeakPolarHBondContact CA-O 3.39Å; V149-G171 PolarHBondContact N-O 3.4Å; V169-G171 WeakPolarHBondContact CG1-O 3.49Å; G171-A211 CarbonylContact C-O 3.44Å; G171-A211 WeakPolarHBondContact CA-O 3.34Å
172V98.7Very high96.9Very high0 Ų024.9 Ų24.90%016%0.164CC..EExtended strand (participates in β ladder)trans-119.7127175.4-176.40000108.4V149 V151 L160 A164 V169 I174 I205 A211 A212 G213V149-V172 HydrophobicContact CG2-CB 4.44Å; V149-V172 HydrophobicContact CG2-CG1 4.39Å; V149-V172 HydrophobicContact CG2-CG2 3.92Å; V149-V172 CarbonylContact O-C 3.52Å; V149-V172 WeakPolarHBondContact O-CA 3.49Å; V151-V172 HydrophobicContact CB-CG1 4.25Å; V151-V172 HydrophobicContact CG2-CG1 3.77Å; L160-V172 HydrophobicContact CD1-CG1 3.78Å; A164-V172 HydrophobicContact CB-CG2 4.35Å; V169-V172 HydrophobicContact CG1-CG2 4.37Å; V172-I174 HydrophobicContact CG1-CD1 4.48Å; V172-I205 HydrophobicContact CB-CD1 3.69Å; V172-I205 HydrophobicContact CB-CG1 3.84Å; V172-I205 HydrophobicContact CB-CG2 4.06Å; V172-I205 HydrophobicContact CG1-CD1 3.76Å; V172-I205 HydrophobicContact CG1-CG1 4.17Å; V172-I205 HydrophobicContact CG2-CG1 4.34Å; V172-I205 HydrophobicContact CG2-CG2 4.39Å; V172-A211 PolarHBondContact N-O 2.9Å; V172-A212 WeakPolarHBondContact O-CA 3.48Å; V172-G213 PolarHBondContact O-N 3.18Å
173F98.7Very high96.7Very high2 Ų224.9 Ų24.91%0.00916%0.157CC..EExtended strand (participates in β ladder)trans-103132.5177.2-170.7-86.7000109.2W22 L94 V149 Q150 V151 G213 I214 L215 F232W22-F173 HydrophobicContact CH2-CE1 4.05Å; W22-F173 AromaticContact CH2-CZ 3.87Å; W22-F173 HydrophobicContact CH2-CZ 3.87Å; W22-F173 HydrophobicContact CZ3-CE1 4.11Å; W22-F173 HydrophobicContact CZ3-CE2 4.05Å; W22-F173 AromaticContact CZ3-CZ 3.46Å; W22-F173 HydrophobicContact CZ3-CZ 3.46Å; W22-F173 VanDerWaalsContact CZ3-CZ 3.46Å; L94-F173 HydrophobicContact CD1-CB 3.48Å; L94-F173 VanDerWaalsContact CD1-CB 3.48Å; L94-F173 HydrophobicContact CD1-CG 4.03Å; L94-F173 HydrophobicContact CD2-CB 4.29Å; L94-F173 HydrophobicContact CD2-CD1 4.15Å; L94-F173 HydrophobicContact CD2-CD2 4.04Å; L94-F173 HydrophobicContact CD2-CE1 4.47Å; L94-F173 HydrophobicContact CD2-CE2 4.36Å; L94-F173 HydrophobicContact CD2-CG 3.91Å; V149-F173 PolarHBondContact O-N 3.29Å; Q150-F173 CarbonylContact C-O 3.49Å; Q150-F173 VanDerWaalsContact CA-O 3.3Å; Q150-F173 WeakPolarHBondContact CA-O 3.27Å; Q150-F173 HydrophobicContact CG-CD1 3.96Å; V151-F173 PolarHBondContact N-O 3.39Å; F173-G213 CarbonylContact C-O 3.54Å; F173-G213 VanDerWaalsContact CA-O 3.3Å; F173-G213 WeakPolarHBondContact CA-O 3.27Å; F173-I214 VanDerWaalsContact CE2-N 3.29Å; F173-L215 HydrophobicContact CE1-CB 4.48Å; F173-L215 HydrophobicContact CZ-CB 3.76Å; F173-F232 HydrophobicContact CB-CE2 4.24Å; F173-F232 HydrophobicContact CB-CZ 4.44Å; F173-F232 HydrophobicContact CD2-CD2 4.17Å; F173-F232 AromaticContact CD2-CE2 3.62Å; F173-F232 HydrophobicContact CD2-CE2 3.62Å; F173-F232 HydrophobicContact CD2-CZ 4.43Å; F173-F232 HydrophobicContact CG-CE2 4.42Å
174I98.2Very high96.6Very high1 Ų128 Ų281%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-91.1126.1172.4-56-54.1000108.3V151 V172 P176 L179 I198 A201 I205 G213 I214V151-I174 HydrophobicContact CB-CD1 4.19Å; V151-I174 HydrophobicContact CG1-CD1 4.47Å; V151-I174 WeakPolarHBondContact O-CA 3.43Å; V172-I174 HydrophobicContact CG1-CD1 4.48Å; I174-P176 WeakPolarHBondContact O-CD 3.37Å; I174-L179 HydrophobicContact CG2-CD2 3.86Å; I174-I198 HydrophobicContact CG2-CG1 4.07Å; I174-A201 HydrophobicContact CD1-CB 3.81Å; I174-A201 HydrophobicContact CG1-CB 4.08Å; I174-I205 HydrophobicContact CD1-CD1 3.85Å; I174-I205 HydrophobicContact CG1-CD1 4.16Å; I174-G213 PolarHBondContact N-O 2.79Å; I174-I214 HydrophobicContact CB-CD1 4.42Å
175G95.8Very high96.4Very high4 Ų430 Ų304%0.04120%0.197CC..  trans-88.592.3173.400000111.1V151 A177 L179V151-G175 PolarHBondContact O-N 2.77Å; G175-A177 VanDerWaalsContact C-N 3.3Å; G175-A177 PolarHBondContact O-N 2.84Å; G175-L179 WeakPolarHBondContact O-CB 3.33Å; G175-L179 PolarHBondContact O-N 2.8Å
176P94.5Very high96Very high5 Ų536.6 Ų36.63%0.03221%0.206CC..Hα-helixtrans-69.3-26.7-169.525.4-34.9000113.5I174 S180 P189 I198 I214 L215 V266I174-P176 WeakPolarHBondContact O-CD 3.37Å; P176-S180 WeakPolarHBondContact O-CB 3.3Å; P176-S180 PolarHBondContact O-N 3.34Å; P176-S180 PolarHBondContact O-OG 2.88Å; P176-P189 HydrophobicContact CB-CB 4.04Å; P176-I198 HydrophobicContact CB-CD1 3.91Å; P176-I214 HydrophobicContact CB-CD1 4.36Å; P176-I214 HydrophobicContact CG-CD1 4.26Å; P176-I214 HydrophobicContact CG-CG1 4.03Å; P176-L215 WeakPolarHBondContact CG-O 3.26Å; P176-V266 HydrophobicContact CB-CG2 4.01Å; P176-V266 HydrophobicContact CG-CB 4.46Å; P176-V266 HydrophobicContact CG-CG1 3.83Å; P176-V266 HydrophobicContact CG-CG2 3.73Å
177A92.7Very high95.6Very high22 Ų2238.4 Ų38.418%0.18223%0.227CC..Hα-helixtrans-67.2-56-179.300000110.1G175 S180 A181 V266 Y267G175-A177 VanDerWaalsContact C-N 3.3Å; G175-A177 PolarHBondContact O-N 2.84Å; A177-S180 PolarHBondContact O-N 3.43Å; A177-S180 PolarHBondContact O-OG 2.72Å; A177-A181 PolarHBondContact O-N 2.82Å; A177-A181 VanDerWaalsContact O-N 3.09Å; A177-V266 HydrophobicContact CB-CB 4.22Å; A177-V266 HydrophobicContact CB-CG2 3.79Å; A177-Y267 HydrophobicContact CB-CE2 4.35Å
178D93.9Very high95.3Very high60 Ų6033.5 Ų33.532%0.32121%0.205SC..Hα-helixtrans-70.5-35.9-179.2-57.2-67.7000111.7E152 S180 A181 A182E152-D178 HydrophobicContact CB-CB 4.05Å; E152-D178 HydrophobicContact CG-CB 4.37Å; E152-D178 CarbonylContact O-C 3.59Å; D178-S180 PolarHBondContact O-N 3.28Å; D178-A181 CarbonylContact O-C 3.58Å; D178-A181 WeakPolarHBondContact O-CB 3.28Å; D178-A181 PolarHBondContact O-N 3.01Å; D178-A181 VanDerWaalsContact O-N 3.13Å; D178-A182 WeakPolarHBondContact O-CB 3.47Å; D178-A182 PolarHBondContact O-N 3.04Å
179L93.7Very high94.9Very high3 Ų333.1 Ų33.12%0.01620%0.201CC..Hα-helixtrans-61.5-44.8173.6-178.561.6000111E152 L157 I174 G175 A181 A182 M183 I198E152-L179 VanDerWaalsContact O-CA 3.3Å; E152-L179 WeakPolarHBondContact O-CA 3.22Å; E152-L179 PolarHBondContact O-N 3.37Å; L157-L179 HydrophobicContact CD2-CD1 4.26Å; I174-L179 HydrophobicContact CG2-CD2 3.86Å; G175-L179 WeakPolarHBondContact O-CB 3.33Å; G175-L179 PolarHBondContact O-N 2.8Å; L179-A181 VanDerWaalsContact C-N 3.28Å; L179-A181 PolarHBondContact O-N 2.98Å; L179-A182 PolarHBondContact O-N 3.22Å; L179-M183 HydrophobicContact CD1-CG 4.21Å; L179-M183 HydrophobicContact CD1-SD 3.97Å; L179-M183 HydrophobicContact CD2-SD 4.49Å; L179-M183 HydrophobicContact CG-SD 3.88Å; L179-M183 WeakPolarHBondContact O-CB 3.48Å; L179-M183 VanDerWaalsContact O-CG 3.25Å; L179-M183 WeakPolarHBondContact O-CG 3.34Å; L179-M183 PolarHBondContact O-N 2.97Å; L179-I198 HydrophobicContact CD2-CG1 4.01Å
180S95Very high94.6Very high0 Ų034.6 Ų34.60%022%0.216CC..Hα-helixtrans-60.1-40.6175.676.40000111.6P176 A177 D178 M183 G184 H185P176-S180 WeakPolarHBondContact O-CB 3.3Å; P176-S180 PolarHBondContact O-N 3.34Å; P176-S180 PolarHBondContact O-OG 2.88Å; A177-S180 PolarHBondContact O-N 3.43Å; A177-S180 PolarHBondContact O-OG 2.72Å; D178-S180 PolarHBondContact O-N 3.28Å; S180-M183 PolarHBondContact O-N 3.36Å; S180-G184 PolarHBondContact O-N 3.03Å; S180-H185 WeakPolarHBondContact CB-O 3.42Å; S180-H185 CarbonylContact O-C 3.57Å; S180-H185 VanDerWaalsContact O-CA 3.27Å; S180-H185 WeakPolarHBondContact O-CA 3.47Å; S180-H185 PolarHBondContact O-N 2.77Å; S180-H185 PolarHBondContact OG-O 2.77Å
181A95.2Very high94.5Very high35 Ų3535.2 Ų35.229%0.28922%0.218SC..Hα-helixtrans-66.7-42.9177.300000112.1A177 D178 L179 M183 G184 R186A177-A181 PolarHBondContact O-N 2.82Å; A177-A181 VanDerWaalsContact O-N 3.09Å; D178-A181 CarbonylContact O-C 3.58Å; D178-A181 WeakPolarHBondContact O-CB 3.28Å; D178-A181 PolarHBondContact O-N 3.01Å; D178-A181 VanDerWaalsContact O-N 3.13Å; L179-A181 VanDerWaalsContact C-N 3.28Å; L179-A181 PolarHBondContact O-N 2.98Å; A181-M183 VanDerWaalsContact C-N 3.26Å; A181-M183 PolarHBondContact O-N 2.88Å; A181-G184 PolarHBondContact O-N 3.32Å; A181-G184 VanDerWaalsContact O-N 3.12Å; A181-R186 HydrophobicContact CB-CB 4.18Å; A181-R186 HydrophobicContact CB-CG 4.35Å
182A94Very high94.4Very high46 Ų4640 Ų4038%0.3825%0.249SC..Hα-helixtrans-64.6-30.1177.200000112.5N153 L154 D178 L179 G184N153-A182 HydrophobicContact CB-CB 4.38Å; L154-A182 HydrophobicContact CG-CB 4.38Å; D178-A182 WeakPolarHBondContact O-CB 3.47Å; D178-A182 PolarHBondContact O-N 3.04Å; L179-A182 PolarHBondContact O-N 3.22Å; A182-G184 VanDerWaalsContact C-N 3.3Å
183M95.2Very high94.3Very high48 Ų4845.5 Ų45.524%0.23627%0.274CS..THydrogen-bonded Turntrans-83.41.7175.3-67.8177.673.100114L154 L179 S180 A181 H185 E193 V194 A197L154-M183 HydrophobicContact CD2-CG 3.76Å; L179-M183 HydrophobicContact CD1-CG 4.21Å; L179-M183 HydrophobicContact CD1-SD 3.97Å; L179-M183 HydrophobicContact CD2-SD 4.49Å; L179-M183 HydrophobicContact CG-SD 3.88Å; L179-M183 WeakPolarHBondContact O-CB 3.48Å; L179-M183 VanDerWaalsContact O-CG 3.25Å; L179-M183 WeakPolarHBondContact O-CG 3.34Å; L179-M183 PolarHBondContact O-N 2.97Å; S180-M183 PolarHBondContact O-N 3.36Å; A181-M183 VanDerWaalsContact C-N 3.26Å; A181-M183 PolarHBondContact O-N 2.88Å; M183-H185 PolarHBondContact O-CD2 3.15Å; M183-E193 HydrophobicContact CE-CB 4.22Å; M183-E193 WeakPolarHBondContact CE-O 3.33Å; M183-V194 HydrophobicContact CB-CG2 4.34Å; M183-V194 HydrophobicContact CE-CG2 4.35Å; M183-V194 HydrophobicContact SD-CB 4.38Å; M183-V194 HydrophobicContact SD-CG1 4.49Å; M183-V194 HydrophobicContact SD-CG2 4.01Å; M183-A197 HydrophobicContact CE-CB 3.87Å; M183-A197 HydrophobicContact SD-CB 3.96Å
184G95.5Very high94.2Very high65 Ų6545.4 Ų45.467%0.6727%0.274SS*.THydrogen-bonded Turntrans85.96.5-179.200000115.1S180 A181 A182S180-G184 PolarHBondContact O-N 3.03Å; A181-G184 PolarHBondContact O-N 3.32Å; A181-G184 VanDerWaalsContact O-N 3.12Å; A182-G184 VanDerWaalsContact C-N 3.3Å
185H94.6Very high94.2Very high41 Ų4146.4 Ų46.419%0.1928%0.279CS..  trans-111.243.5-177.9-60.4-61.4000112S180 M183 G187 N188 H191 E193 V194S180-H185 WeakPolarHBondContact CB-O 3.42Å; S180-H185 CarbonylContact O-C 3.57Å; S180-H185 VanDerWaalsContact O-CA 3.27Å; S180-H185 WeakPolarHBondContact O-CA 3.47Å; S180-H185 PolarHBondContact O-N 2.77Å; S180-H185 PolarHBondContact OG-O 2.77Å; M183-H185 PolarHBondContact O-CD2 3.15Å; H185-G187 PolarHBondContact O-N 3.13Å; H185-N188 WeakPolarHBondContact O-CA 3.49Å; H185-N188 PolarHBondContact O-N 2.94Å; H185-H191 HydrophobicContact CB-CB 4.08Å; H185-H191 AromaticContact CD2-CG 3.91Å; H185-H191 AromaticContact CD2-ND1 3.53Å; H185-H191 AromaticContact CE1-CD2 3.74Å; H185-H191 AromaticContact CE1-CE1 3.12Å; H185-H191 PolarHBondContact CE1-CE1 3.49Å; H185-H191 AromaticContact CE1-CG 3.74Å; H185-H191 AromaticContact CE1-ND1 3.35Å; H185-H191 PolarHBondContact CE1-ND1 3.25Å; H185-H191 AromaticContact CE1-NE2 3.4Å; H185-H191 PolarHBondContact CE1-NE2 2.77Å; H185-H191 AromaticContact CG-CG 3.65Å; H185-H191 AromaticContact CG-ND1 3.73Å; H185-H191 AromaticContact ND1-CD2 3.53Å; H185-H191 AromaticContact ND1-CE1 3.7Å; H185-H191 AromaticContact ND1-CG 3.54Å; H185-H191 AromaticContact ND1-ND1 3.64Å; H185-H191 AromaticContact ND1-NE2 3.67Å; H185-H191 AromaticContact NE2-CE1 3.36Å; H185-H191 PolarHBondContact NE2-CE1 2.89Å; H185-H191 AromaticContact NE2-CG 3.96Å; H185-H191 AromaticContact NE2-ND1 3.27Å; H185-H191 PolarHBondContact NE2-ND1 2.9Å; H185-E193 IonicContact CD2-OE2 3.85Å; H185-E193 IonicContact CE1-OE2 3.72Å; H185-E193 IonicContact NE2-OE2 2.97Å; H185-E193 PolarHBondContact NE2-OE2 2.9Å; H185-V194 HydrophobicContact CB-CG2 3.87Å
186R91.6Very high94.3Very high217 Ų21749.1 Ų49.182%0.81930%0.301SS*.THydrogen-bonded Turntrans-49.1124.9-174.2175.1178-86.5174-5.6112.2A181 N188A181-R186 HydrophobicContact CB-CB 4.18Å; A181-R186 HydrophobicContact CB-CG 4.35Å; R186-N188 PolarHBondContact O-N 2.77Å
187G88.8Confident94.4Very high47 Ų4749.5 Ų49.549%0.48531%0.305SS..THydrogen-bonded Turntrans76.95.317800000114.2H185 P189H185-G187 PolarHBondContact O-N 3.13Å; G187-P189 VanDerWaalsContact C-CD 3.43Å; G187-P189 WeakPolarHBondContact O-CD 3.26Å
188N91.7Very high94.7Very high59 Ų5948.5 Ų48.532%0.31630%0.296SS..  trans-122.569.3177.8-170.29.7000111.3H185 R186 G190 H191H185-N188 WeakPolarHBondContact O-CA 3.49Å; H185-N188 PolarHBondContact O-N 2.94Å; R186-N188 PolarHBondContact O-N 2.77Å; N188-G190 PolarHBondContact O-N 2.96Å; N188-H191 HydrophobicContact CB-CB 4.49Å; N188-H191 WeakPolarHBondContact O-CB 3.3Å; N188-H191 PolarHBondContact O-N 2.88Å; N188-H191 VanDerWaalsContact O-N 3.1Å; N188-H191 PolarHBondContact OD1-N 2.94Å
189P90.3Very high94.9Very high6 Ų647.9 Ų47.94%0.03929%0.291CS..THydrogen-bonded Turntrans-60.8-24.3174.831-40.8000112.6P176 G187 H191 V194 Q195 S264 V266P176-P189 HydrophobicContact CB-CB 4.04Å; G187-P189 VanDerWaalsContact C-CD 3.43Å; G187-P189 WeakPolarHBondContact O-CD 3.26Å; P189-H191 VanDerWaalsContact C-N 3.26Å; P189-H191 PolarHBondContact O-N 2.91Å; P189-V194 WeakPolarHBondContact O-CG1 3.45Å; P189-Q195 PolarHBondContact O-NE2 2.97Å; P189-S264 WeakPolarHBondContact CD-O 3.42Å; P189-S264 WeakPolarHBondContact CG-O 3.48Å; P189-V266 HydrophobicContact CB-CG2 3.62Å; P189-V266 HydrophobicContact CG-CG2 3.51Å
190G92.6Very high95.1Very high32 Ų3251.7 Ų51.733%0.3331%0.312SS..THydrogen-bonded Turntrans-78.5-1.117700000114.6N188N188-G190 PolarHBondContact O-N 2.96Å
191H95.3Very high95.3Very high47 Ų4751.7 Ų51.722%0.21831%0.312CS..SBendtrans-58.5136.3177.6-171.3-92.1000110.7H185 N188 P189 E193 V194 Q195H185-H191 HydrophobicContact CB-CB 4.08Å; H185-H191 AromaticContact CD2-CG 3.91Å; H185-H191 AromaticContact CD2-ND1 3.53Å; H185-H191 AromaticContact CE1-CD2 3.74Å; H185-H191 AromaticContact CE1-CE1 3.12Å; H185-H191 PolarHBondContact CE1-CE1 3.49Å; H185-H191 AromaticContact CE1-CG 3.74Å; H185-H191 AromaticContact CE1-ND1 3.35Å; H185-H191 PolarHBondContact CE1-ND1 3.25Å; H185-H191 AromaticContact CE1-NE2 3.4Å; H185-H191 PolarHBondContact CE1-NE2 2.77Å; H185-H191 AromaticContact CG-CG 3.65Å; H185-H191 AromaticContact CG-ND1 3.73Å; H185-H191 AromaticContact ND1-CD2 3.53Å; H185-H191 AromaticContact ND1-CE1 3.7Å; H185-H191 AromaticContact ND1-CG 3.54Å; H185-H191 AromaticContact ND1-ND1 3.64Å; H185-H191 AromaticContact ND1-NE2 3.67Å; H185-H191 AromaticContact NE2-CE1 3.36Å; H185-H191 PolarHBondContact NE2-CE1 2.89Å; H185-H191 AromaticContact NE2-CG 3.96Å; H185-H191 AromaticContact NE2-ND1 3.27Å; H185-H191 PolarHBondContact NE2-ND1 2.9Å; N188-H191 HydrophobicContact CB-CB 4.49Å; N188-H191 WeakPolarHBondContact O-CB 3.3Å; N188-H191 PolarHBondContact O-N 2.88Å; N188-H191 VanDerWaalsContact O-N 3.1Å; N188-H191 PolarHBondContact OD1-N 2.94Å; P189-H191 VanDerWaalsContact C-N 3.26Å; P189-H191 PolarHBondContact O-N 2.91Å; H191-E193 VanDerWaalsContact C-N 3.28Å; H191-E193 IonicContact CE1-OE2 3.27Å; H191-E193 PolarHBondContact ND1-N 3.41Å; H191-E193 PolarHBondContact O-N 2.94Å; H191-E193 VanDerWaalsContact O-N 3.15Å; H191-V194 HydrophobicContact CB-CB 4.3Å; H191-V194 HydrophobicContact CB-CG2 3.94Å; H191-V194 WeakPolarHBondContact O-CA 3.28Å; H191-V194 WeakPolarHBondContact O-CB 3.5Å; H191-V194 PolarHBondContact O-N 3.22Å; H191-Q195 PolarHBondContact O-N 2.83Å
192P96.2Very high95.4Very high99 Ų9950 Ų5064%0.64330%0.298SS*.Hα-helixtrans-53.7-39-174.8-30.336000115A196P192-A196 WeakPolarHBondContact O-CB 3.14Å; P192-A196 PolarHBondContact O-N 3.1Å
193E96.7Very high95.7Very high116 Ų11652.1 Ų52.154%0.54230%0.3SS..Hα-helixtrans-67-38.5176.3-65.4176.7174.200112.3M183 H185 H191 A196 A197M183-E193 HydrophobicContact CE-CB 4.22Å; M183-E193 WeakPolarHBondContact CE-O 3.33Å; H185-E193 IonicContact CD2-OE2 3.85Å; H185-E193 IonicContact CE1-OE2 3.72Å; H185-E193 IonicContact NE2-OE2 2.97Å; H185-E193 PolarHBondContact NE2-OE2 2.9Å; H191-E193 VanDerWaalsContact C-N 3.28Å; H191-E193 IonicContact CE1-OE2 3.27Å; H191-E193 PolarHBondContact ND1-N 3.41Å; H191-E193 PolarHBondContact O-N 2.94Å; H191-E193 VanDerWaalsContact O-N 3.15Å; E193-A196 PolarHBondContact O-N 3.41Å; E193-A197 PolarHBondContact O-N 3.21Å
194V96.5Very high95.8Very high0 Ų052.1 Ų52.10%030%0.297CS..Hα-helixtrans-69.1-43178.1-179.80000109.8M183 H185 P189 H191 A197 I198M183-V194 HydrophobicContact CB-CG2 4.34Å; M183-V194 HydrophobicContact CE-CG2 4.35Å; M183-V194 HydrophobicContact SD-CB 4.38Å; M183-V194 HydrophobicContact SD-CG1 4.49Å; M183-V194 HydrophobicContact SD-CG2 4.01Å; H185-V194 HydrophobicContact CB-CG2 3.87Å; P189-V194 WeakPolarHBondContact O-CG1 3.45Å; H191-V194 HydrophobicContact CB-CB 4.3Å; H191-V194 HydrophobicContact CB-CG2 3.94Å; H191-V194 WeakPolarHBondContact O-CA 3.28Å; H191-V194 WeakPolarHBondContact O-CB 3.5Å; H191-V194 PolarHBondContact O-N 3.22Å; V194-A197 PolarHBondContact O-N 2.9Å; V194-I198 HydrophobicContact CG1-CD1 3.79Å; V194-I198 HydrophobicContact CG1-CG1 4.39Å; V194-I198 VanDerWaalsContact O-CG1 3.28Å; V194-I198 WeakPolarHBondContact O-CG1 3.32Å; V194-I198 PolarHBondContact O-N 3.06Å
195Q97.7Very high96Very high22 Ų2249 Ų4910%0.10327%0.265CS..Hα-helixtrans-60.6-46.3174.6-71.3-61.4-55.100111.6P189 H191 A197 I198 E199 Y225P189-Q195 PolarHBondContact O-NE2 2.97Å; H191-Q195 PolarHBondContact O-N 2.83Å; Q195-A197 VanDerWaalsContact C-N 3.29Å; Q195-A197 PolarHBondContact O-N 2.77Å; Q195-I198 PolarHBondContact O-N 2.9Å; Q195-I198 VanDerWaalsContact O-N 3.15Å; Q195-E199 WeakPolarHBondContact O-CG 3.4Å; Q195-E199 PolarHBondContact O-N 3.47Å; Q195-Y225 PolarHBondContact NE2-OH 3.26Å; Q195-Y225 PolarHBondContact OE1-OH 3.4Å
196A97.8Very high96.1Very high61 Ų6152.8 Ų52.850%0.50428%0.278SS..Hα-helixtrans-57.5-42.117600000112.2P192 E193 D200P192-A196 WeakPolarHBondContact O-CB 3.14Å; P192-A196 PolarHBondContact O-N 3.1Å; E193-A196 PolarHBondContact O-N 3.41Å; A196-D200 WeakPolarHBondContact O-CB 3.41Å; A196-D200 PolarHBondContact O-N 3.27Å
197A97.9Very high96.4Very high14 Ų1448.4 Ų48.412%0.11628%0.275CS..Hα-helixtrans-66.3-40.4175.900000112.9L157 M183 E193 V194 Q195 A201L157-A197 HydrophobicContact CD2-CB 4.07Å; M183-A197 HydrophobicContact CE-CB 3.87Å; M183-A197 HydrophobicContact SD-CB 3.96Å; E193-A197 PolarHBondContact O-N 3.21Å; V194-A197 PolarHBondContact O-N 2.9Å; Q195-A197 VanDerWaalsContact C-N 3.29Å; Q195-A197 PolarHBondContact O-N 2.77Å; A197-A201 VanDerWaalsContact O-CB 3.28Å; A197-A201 WeakPolarHBondContact O-CB 3.37Å; A197-A201 PolarHBondContact O-N 2.79Å
198I98.2Very high96.8Very high0 Ų048.2 Ų48.20%027%0.269CS..Hα-helixtrans-65.2-47.3176.7-69.5166000110.8I174 P176 L179 V194 Q195 A201 I202 I214 Y225I174-I198 HydrophobicContact CG2-CG1 4.07Å; P176-I198 HydrophobicContact CB-CD1 3.91Å; L179-I198 HydrophobicContact CD2-CG1 4.01Å; V194-I198 HydrophobicContact CG1-CD1 3.79Å; V194-I198 HydrophobicContact CG1-CG1 4.39Å; V194-I198 VanDerWaalsContact O-CG1 3.28Å; V194-I198 WeakPolarHBondContact O-CG1 3.32Å; V194-I198 PolarHBondContact O-N 3.06Å; Q195-I198 PolarHBondContact O-N 2.9Å; Q195-I198 VanDerWaalsContact O-N 3.15Å; I198-A201 PolarHBondContact O-N 3.34Å; I198-I202 HydrophobicContact CG2-CD1 3.76Å; I198-I202 HydrophobicContact CG2-CG1 4.42Å; I198-I202 VanDerWaalsContact O-CG1 3.26Å; I198-I202 WeakPolarHBondContact O-CG1 3.36Å; I198-I202 PolarHBondContact O-N 3.23Å; I198-I214 HydrophobicContact CD1-CD1 4.3Å; I198-I214 HydrophobicContact CG2-CD1 3.53Å; I198-Y225 HydrophobicContact CG2-CD1 4.17Å; I198-Y225 HydrophobicContact CG2-CE1 3.52Å
199E98.3Very high97Very high47 Ų4748.7 Ų48.722%0.2229%0.288CS..Hα-helixtrans-63.4-43.4179.8-63.5-160.1175.300111.5Q195 A201 I202 H203 R224 L228Q195-E199 WeakPolarHBondContact O-CG 3.4Å; Q195-E199 PolarHBondContact O-N 3.47Å; E199-A201 PolarHBondContact O-N 2.97Å; E199-I202 PolarHBondContact O-N 3.3Å; E199-H203 PolarHBondContact O-CD2 3.12Å; E199-H203 PolarHBondContact O-N 2.95Å; E199-R224 IonicContact OE1-CZ 3.22Å; E199-R224 IonicContact OE1-NE 2.89Å; E199-R224 PolarHBondContact OE1-NE 3.21Å; E199-R224 IonicContact OE1-NH2 2.69Å; E199-R224 PolarHBondContact OE1-NH2 3.46Å; E199-R224 VanDerWaalsContact OE1-NH2 3.13Å; E199-R224 IonicContact OE2-CZ 3.52Å; E199-R224 IonicContact OE2-NE 3.13Å; E199-R224 IonicContact OE2-NH2 3.39Å; E199-R224 PolarHBondContact OE2-NH2 3.33Å; E199-L228 HydrophobicContact CB-CD1 4.13Å; E199-L228 HydrophobicContact CG-CD1 3.52Å
200D98.5Very high97.3Very high84 Ų8450.4 Ų50.445%0.44929%0.294SS..Hα-helixtrans-58.7-46.6173.3179.272.7000111.7A196 I202 H203 R204A196-D200 WeakPolarHBondContact O-CB 3.41Å; A196-D200 PolarHBondContact O-N 3.27Å; D200-I202 PolarHBondContact O-N 2.99Å; D200-H203 WeakPolarHBondContact O-CB 3.34Å; D200-H203 PolarHBondContact O-N 3.41Å; D200-R204 WeakPolarHBondContact O-CG 3.36Å; D200-R204 PolarHBondContact O-N 3.13Å; D200-R204 WeakPolarHBondContact OD2-CD 3.04Å; D200-R204 IonicContact OD2-NH1 3.81Å
201A98.6Very high97.6Very high0 Ų049.4 Ų49.40%028%0.283CS..Hα-helixtrans-60.1-45.117800000112.1L157 L160 I174 A197 I198 E199 H203 R204 I205L157-A201 HydrophobicContact CD1-CB 3.8Å; L160-A201 HydrophobicContact CD2-CB 3.62Å; I174-A201 HydrophobicContact CD1-CB 3.81Å; I174-A201 HydrophobicContact CG1-CB 4.08Å; A197-A201 VanDerWaalsContact O-CB 3.28Å; A197-A201 WeakPolarHBondContact O-CB 3.37Å; A197-A201 PolarHBondContact O-N 2.79Å; I198-A201 PolarHBondContact O-N 3.34Å; E199-A201 PolarHBondContact O-N 2.97Å; A201-H203 VanDerWaalsContact C-N 3.31Å; A201-H203 PolarHBondContact O-N 3.4Å; A201-R204 PolarHBondContact O-N 3.42Å; A201-I205 WeakPolarHBondContact O-CB 3.31Å; A201-I205 WeakPolarHBondContact O-CD1 3.44Å; A201-I205 WeakPolarHBondContact O-CG1 3.31Å; A201-I205 PolarHBondContact O-N 3.18Å
202I98.5Very high97.7Very high0 Ų047.2 Ų47.20%027%0.273CS..Hα-helixtrans-57.7-45.6176-68.5163.3000110.4I198 E199 D200 I205 R206 A212 Y225 L228 C230I198-I202 HydrophobicContact CG2-CD1 3.76Å; I198-I202 HydrophobicContact CG2-CG1 4.42Å; I198-I202 VanDerWaalsContact O-CG1 3.26Å; I198-I202 WeakPolarHBondContact O-CG1 3.36Å; I198-I202 PolarHBondContact O-N 3.23Å; E199-I202 PolarHBondContact O-N 3.3Å; D200-I202 PolarHBondContact O-N 2.99Å; I202-I205 PolarHBondContact O-N 2.95Å; I202-R206 WeakPolarHBondContact O-CB 3.48Å; I202-R206 VanDerWaalsContact O-CG 3.3Å; I202-R206 WeakPolarHBondContact O-CG 3.45Å; I202-R206 PolarHBondContact O-N 3.46Å; I202-A212 HydrophobicContact CG1-CB 4.47Å; I202-A212 HydrophobicContact CG2-CB 4.13Å; I202-Y225 HydrophobicContact CD1-CD1 3.74Å; I202-Y225 HydrophobicContact CD1-CE1 4.4Å; I202-Y225 HydrophobicContact CD1-CG 4.46Å; I202-L228 HydrophobicContact CD1-CD1 4.23Å; I202-L228 HydrophobicContact CG2-CB 4.01Å; I202-C230 VanDerWaalsContact CD1-SG 3.54Å
203H98.4Very high97.8Very high90 Ų9042.6 Ų42.642%0.41724%0.243SC..Hα-helixtrans-62-43.2177.5-81.9-63.5000112.9E199 D200 A201 R206 T207E199-H203 PolarHBondContact O-CD2 3.12Å; E199-H203 PolarHBondContact O-N 2.95Å; D200-H203 WeakPolarHBondContact O-CB 3.34Å; D200-H203 PolarHBondContact O-N 3.41Å; A201-H203 VanDerWaalsContact C-N 3.31Å; A201-H203 PolarHBondContact O-N 3.4Å; H203-R206 PolarHBondContact O-N 3.08Å; H203-T207 WeakPolarHBondContact O-CB 3.34Å; H203-T207 PolarHBondContact O-N 3.38Å; H203-T207 PolarHBondContact O-OG1 3.49Å
204R98.6Very high97.9Very high48 Ų4837 Ų3718%0.18122%0.218CC..Hα-helixtrans-63.9-47.1177.7-72.2170.367.2-1655.6112L157 L160 D161 D200 A201 R206 T207 A208L157-R204 PolarHBondContact O-NH1 3.23Å; L160-R204 HydrophobicContact CD2-CB 4.03Å; D161-R204 IonicContact OD1-CZ 2.9Å; D161-R204 IonicContact OD1-NE 3.94Å; D161-R204 PolarHBondContact OD1-NE 3.35Å; D161-R204 IonicContact OD1-NH2 3.81Å; D161-R204 PolarHBondContact OD1-NH2 2.95Å; D161-R204 IonicContact OD2-CZ 3.65Å; D161-R204 IonicContact OD2-NE 3.79Å; D161-R204 PolarHBondContact OD2-NE 3.36Å; D161-R204 IonicContact OD2-NH2 3.22Å; D161-R204 PolarHBondContact OD2-NH2 2.9Å; D200-R204 WeakPolarHBondContact O-CG 3.36Å; D200-R204 PolarHBondContact O-N 3.13Å; D200-R204 WeakPolarHBondContact OD2-CD 3.04Å; D200-R204 IonicContact OD2-NH1 3.81Å; A201-R204 PolarHBondContact O-N 3.42Å; R204-R206 VanDerWaalsContact C-N 3.34Å; R204-R206 PolarHBondContact O-N 3.23Å; R204-T207 PolarHBondContact O-N 3.19Å; R204-A208 PolarHBondContact O-N 3.29Å
205I98.4Very high97.9Very high0 Ų037.2 Ų37.20%022%0.219CC..Hα-helixtrans-58.2-46.6177.6-67160.8000110.9L160 V172 I174 A201 I202 A208 G209 K210 A212L160-I205 HydrophobicContact CD1-CD1 4.11Å; L160-I205 HydrophobicContact CD1-CG1 3.81Å; L160-I205 HydrophobicContact CD2-CD1 4.45Å; L160-I205 HydrophobicContact CD2-CG1 4.13Å; L160-I205 HydrophobicContact CG-CG1 4.23Å; V172-I205 HydrophobicContact CB-CD1 3.69Å; V172-I205 HydrophobicContact CB-CG1 3.84Å; V172-I205 HydrophobicContact CB-CG2 4.06Å; V172-I205 HydrophobicContact CG1-CD1 3.76Å; V172-I205 HydrophobicContact CG1-CG1 4.17Å; V172-I205 HydrophobicContact CG2-CG1 4.34Å; V172-I205 HydrophobicContact CG2-CG2 4.39Å; I174-I205 HydrophobicContact CD1-CD1 3.85Å; I174-I205 HydrophobicContact CG1-CD1 4.16Å; A201-I205 WeakPolarHBondContact O-CB 3.31Å; A201-I205 WeakPolarHBondContact O-CD1 3.44Å; A201-I205 WeakPolarHBondContact O-CG1 3.31Å; A201-I205 PolarHBondContact O-N 3.18Å; I202-I205 PolarHBondContact O-N 2.95Å; I205-A208 PolarHBondContact O-N 3.27Å; I205-G209 PolarHBondContact O-N 3.03Å; I205-K210 HydrophobicContact CG2-CB 3.86Å; I205-K210 PolarHBondContact O-N 3.19Å; I205-K210 VanDerWaalsContact O-N 3.12Å; I205-A212 HydrophobicContact CB-CB 4.14Å; I205-A212 HydrophobicContact CD1-CB 4.31Å; I205-A212 HydrophobicContact CG2-CB 3.8Å
206R97Very high97.9Very high120 Ų12036.5 Ų36.545%0.45322%0.216SC..Hα-helixtrans-66.8-39.7179-71.4-177.766.3-139.6-9112.4I202 H203 R204 A208 G209 A212 L228 G229I202-R206 WeakPolarHBondContact O-CB 3.48Å; I202-R206 VanDerWaalsContact O-CG 3.3Å; I202-R206 WeakPolarHBondContact O-CG 3.45Å; I202-R206 PolarHBondContact O-N 3.46Å; H203-R206 PolarHBondContact O-N 3.08Å; R204-R206 VanDerWaalsContact C-N 3.34Å; R204-R206 PolarHBondContact O-N 3.23Å; R206-A208 PolarHBondContact O-N 2.73Å; R206-G209 WeakPolarHBondContact O-CA 3.25Å; R206-G209 PolarHBondContact O-N 2.99Å; R206-A212 HydrophobicContact CG-CB 4.36Å; R206-L228 VanDerWaalsContact CD-O 3.26Å; R206-L228 WeakPolarHBondContact CD-O 3.31Å; R206-L228 PolarHBondContact NH1-O 2.98Å; R206-G229 WeakPolarHBondContact CD-O 3.36Å
207T97.6Very high97.7Very high124 Ų12435.3 Ų35.376%0.76121%0.206SC*.Hα-helixtrans-60-36.2175.1-61.20000111.4H203 R204 G209H203-T207 WeakPolarHBondContact O-CB 3.34Å; H203-T207 PolarHBondContact O-N 3.38Å; H203-T207 PolarHBondContact O-OG1 3.49Å; R204-T207 PolarHBondContact O-N 3.19Å; T207-G209 PolarHBondContact O-N 2.99Å
208A97.6Very high97.5Very high44 Ų4437.7 Ų37.736%0.36422%0.217SC..THydrogen-bonded Turntrans-73.80.5173.500000114.1A164 R204 I205 R206 K210A164-A208 HydrophobicContact CB-CB 3.72Å; R204-A208 PolarHBondContact O-N 3.29Å; I205-A208 PolarHBondContact O-N 3.27Å; R206-A208 PolarHBondContact O-N 2.73Å; A208-K210 VanDerWaalsContact C-N 3.29Å; A208-K210 HydrophobicContact CB-CG 4.42Å; A208-K210 PolarHBondContact O-N 3.38Å
209G96.3Very high97.4Very high68 Ų6843.5 Ų43.570%0.70124%0.244SC*.THydrogen-bonded Turntrans73.317.7-179.600000114.2I205 R206 T207I205-G209 PolarHBondContact O-N 3.03Å; R206-G209 WeakPolarHBondContact O-CA 3.25Å; R206-G209 PolarHBondContact O-N 2.99Å; T207-G209 PolarHBondContact O-N 2.99Å
210K97.5Very high97.3Very high42 Ų4246.6 Ų46.618%0.18327%0.266CS..PPolyproline II helixtrans-99.4155177.5-57.2-54.7-171.31710110.9A164 V166 V169 I205 A208 A212A164-K210 HydrophobicContact CB-CG 4.21Å; A164-K210 WeakPolarHBondContact O-CE 3.4Å; A164-K210 VanDerWaalsContact O-CG 3.3Å; A164-K210 WeakPolarHBondContact O-CG 3.46Å; V166-K210 PolarHBondContact O-NZ 3.33Å; V166-K210 VanDerWaalsContact O-NZ 3.13Å; V169-K210 WeakPolarHBondContact O-CD 3.3Å; V169-K210 WeakPolarHBondContact O-CE 3.48Å; V169-K210 PolarHBondContact O-NZ 3.01Å; I205-K210 HydrophobicContact CG2-CB 3.86Å; I205-K210 PolarHBondContact O-N 3.19Å; I205-K210 VanDerWaalsContact O-N 3.12Å; A208-K210 VanDerWaalsContact C-N 3.29Å; A208-K210 HydrophobicContact CB-CG 4.42Å; A208-K210 PolarHBondContact O-N 3.38Å; K210-A212 PolarHBondContact O-N 3.01Å
211A98Very high97.2Very high12 Ų1244.1 Ų44.110%0.09925%0.253CS..EExtended strand (participates in β ladder)trans-73126.7173.500000110.2L12 D170 G171 V172 A231 F232L12-A211 HydrophobicContact CB-CB 4.34Å; L12-A211 HydrophobicContact CD1-CB 4.16Å; L12-A211 HydrophobicContact CD2-CB 3.89Å; L12-A211 HydrophobicContact CG-CB 4.37Å; D170-A211 PolarHBondContact O-N 2.97Å; G171-A211 CarbonylContact C-O 3.44Å; G171-A211 WeakPolarHBondContact CA-O 3.34Å; V172-A211 PolarHBondContact N-O 2.9Å; A211-A231 HydrophobicContact CB-CB 4.06Å; A211-F232 HydrophobicContact CB-CD1 4.03Å; A211-F232 HydrophobicContact CB-CE1 3.67Å; A211-F232 WeakPolarHBondContact O-CE1 3.37Å
212A98.3Very high97.1Very high1 Ų144.3 Ų44.31%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-89138.9169.700000110.5V172 I202 I205 R206 K210 C230 A231 F232V172-A212 WeakPolarHBondContact O-CA 3.48Å; I202-A212 HydrophobicContact CG1-CB 4.47Å; I202-A212 HydrophobicContact CG2-CB 4.13Å; I205-A212 HydrophobicContact CB-CB 4.14Å; I205-A212 HydrophobicContact CD1-CB 4.31Å; I205-A212 HydrophobicContact CG2-CB 3.8Å; R206-A212 HydrophobicContact CG-CB 4.36Å; K210-A212 PolarHBondContact O-N 3.01Å; A212-C230 CarbonylContact O-C 3.56Å; A212-C230 WeakPolarHBondContact O-CA 3.43Å; A212-A231 PolarHBondContact O-N 2.85Å; A212-F232 VanDerWaalsContact C-CE1 3.42Å; A212-F232 WeakPolarHBondContact O-CD1 3.13Å; A212-F232 WeakPolarHBondContact O-CE1 3.4Å
213G98.4Very high97.1Very high1 Ų151.1 Ų51.11%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-139.8160.1174.800000113.3V172 F173 I174 F232V172-G213 PolarHBondContact O-N 3.18Å; F173-G213 CarbonylContact C-O 3.54Å; F173-G213 VanDerWaalsContact CA-O 3.3Å; F173-G213 WeakPolarHBondContact CA-O 3.27Å; I174-G213 PolarHBondContact N-O 2.79Å; G213-F232 WeakPolarHBondContact CA-O 3.49Å
214I98.1Very high97.1Very high0 Ų051.5 Ų51.50%028%0.278CS..EExtended strand (participates in β ladder)trans-162.3159.9-176.6-169.8157.5000111.3F173 I174 P176 I198 Y225 F232 V233 A234F173-I214 VanDerWaalsContact CE2-N 3.29Å; I174-I214 HydrophobicContact CB-CD1 4.42Å; P176-I214 HydrophobicContact CB-CD1 4.36Å; P176-I214 HydrophobicContact CG-CD1 4.26Å; P176-I214 HydrophobicContact CG-CG1 4.03Å; I198-I214 HydrophobicContact CD1-CD1 4.3Å; I198-I214 HydrophobicContact CG2-CD1 3.53Å; I214-Y225 HydrophobicContact CD1-CD1 4.4Å; I214-Y225 HydrophobicContact CD1-CD2 4.07Å; I214-Y225 HydrophobicContact CD1-CE1 4.06Å; I214-Y225 HydrophobicContact CD1-CE2 3.68Å; I214-Y225 HydrophobicContact CD1-CG 4.42Å; I214-Y225 HydrophobicContact CG1-CD2 4.34Å; I214-Y225 HydrophobicContact CG1-CE2 4.18Å; I214-Y225 HydrophobicContact CG2-CD2 3.45Å; I214-Y225 VanDerWaalsContact CG2-CD2 3.45Å; I214-Y225 HydrophobicContact CG2-CE2 4.14Å; I214-Y225 HydrophobicContact CG2-CG 3.69Å; I214-F232 PolarHBondContact N-O 2.86Å; I214-V233 HydrophobicContact CG2-CG1 4.19Å; I214-V233 HydrophobicContact CG2-CG2 4.22Å; I214-V233 CarbonylContact O-C 3.37Å; I214-V233 WeakPolarHBondContact O-CA 3.45Å; I214-A234 PolarHBondContact O-N 3.14Å
215L97.5Very high97Very high4 Ų449.3 Ų49.32%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-109.3131.5170166.567000109.8W22 F173 P176 A234 V237 V266 Y267W22-L215 HydrophobicContact CD2-CD2 3.98Å; W22-L215 HydrophobicContact CE3-CB 4.12Å; W22-L215 HydrophobicContact CE3-CD1 4.19Å; W22-L215 HydrophobicContact CE3-CD2 3.79Å; W22-L215 HydrophobicContact CE3-CG 4.26Å; W22-L215 HydrophobicContact CG-CD2 4.44Å; W22-L215 HydrophobicContact CZ3-CB 4.01Å; W22-L215 HydrophobicContact CZ3-CD2 4.19Å; F173-L215 HydrophobicContact CE1-CB 4.48Å; F173-L215 HydrophobicContact CZ-CB 3.76Å; P176-L215 WeakPolarHBondContact CG-O 3.26Å; L215-A234 WeakPolarHBondContact CA-O 3.4Å; L215-A234 HydrophobicContact CB-CB 4.1Å; L215-A234 HydrophobicContact CD1-CB 3.47Å; L215-A234 VanDerWaalsContact CD1-CB 3.47Å; L215-A234 HydrophobicContact CG-CB 4.37Å; L215-V237 HydrophobicContact CD1-CG2 4.17Å; L215-V237 HydrophobicContact CD2-CG2 4.16Å; L215-V266 HydrophobicContact CB-CG1 4.29Å; L215-V266 HydrophobicContact CD2-CG1 3.71Å; L215-V266 HydrophobicContact CG-CG1 3.71Å; L215-Y267 HydrophobicContact CD2-CD1 3.81Å; L215-Y267 HydrophobicContact CD2-CE1 3.4Å
216S96.3Very high97Very high6 Ų651.9 Ų51.94%0.04228%0.283CS..  trans-150.2119.5169.4-178.60000111.3D218 L221 A234 V235S216-D218 VanDerWaalsContact C-N 3.29Å; S216-D218 PolarHBondContact OG-N 3.31Å; S216-D218 PolarHBondContact OG-O 2.87Å; S216-L221 WeakPolarHBondContact OG-CB 3.45Å; S216-A234 PolarHBondContact N-O 2.73Å; S216-V235 CarbonylContact O-C 3.56Å; S216-V235 VanDerWaalsContact O-CA 3.31Å; S216-V235 WeakPolarHBondContact O-CA 3.28Å
217A93.4Very high97.1Very high37 Ų3753 Ų5331%0.30629%0.294SS..SBendtrans-77.9-12.9168.300000113.4V266A217-V266 VanDerWaalsContact CB-O 3.32Å; A217-V266 WeakPolarHBondContact CB-O 3.46Å; A217-V266 PolarHBondContact N-O 3.37Å; A217-V266 VanDerWaalsContact N-O 3.09Å
218D94.2Very high97.1Very high64 Ų6447.9 Ų47.934%0.34226%0.261SS..  trans-79.5119.8170.7-176.8-61000109.6S216 T220 L221 A222S216-D218 VanDerWaalsContact C-N 3.29Å; S216-D218 PolarHBondContact OG-N 3.31Å; S216-D218 PolarHBondContact OG-O 2.87Å; D218-T220 WeakPolarHBondContact OD1-CA 3.49Å; D218-T220 WeakPolarHBondContact OD1-CB 3.48Å; D218-T220 PolarHBondContact OD1-N 2.94Å; D218-L221 HydrophobicContact CB-CB 4.15Å; D218-L221 HydrophobicContact CB-CD1 4.1Å; D218-L221 HydrophobicContact CB-CG 4.19Å; D218-L221 PolarHBondContact O-N 3.29Å; D218-L221 PolarHBondContact OD1-N 2.99Å; D218-A222 VanDerWaalsContact O-CB 3.3Å; D218-A222 WeakPolarHBondContact O-CB 3.36Å; D218-A222 PolarHBondContact O-N 2.89Å
219E95.5Very high97Very high122 Ų12247 Ų4757%0.5726%0.257SS*.Hα-helixtrans-65.7-38.1-176.5-174.8-179.4164.500112.6A222 R223E219-A222 PolarHBondContact O-N 3.46Å; E219-R223 HydrophobicContact CG-CG 4.48Å; E219-R223 WeakPolarHBondContact O-CB 3.16Å; E219-R223 VanDerWaalsContact O-CG 3.25Å; E219-R223 WeakPolarHBondContact O-CG 3.31Å; E219-R223 PolarHBondContact O-N 2.92Å; E219-R223 IonicContact OE1-CZ 3.6Å; E219-R223 IonicContact OE1-NE 3.76Å; E219-R223 PolarHBondContact OE1-NE 3.47Å; E219-R223 IonicContact OE1-NH2 2.67Å; E219-R223 PolarHBondContact OE1-NH2 2.92Å
220T96.4Very high97.1Very high111 Ų11143.9 Ų43.968%0.68122%0.224SC*.Hα-helixtrans-65.1-46178.9-62.90000110.3D218 R223 R224D218-T220 WeakPolarHBondContact OD1-CA 3.49Å; D218-T220 WeakPolarHBondContact OD1-CB 3.48Å; D218-T220 PolarHBondContact OD1-N 2.94Å; T220-R223 PolarHBondContact O-N 3.38Å; T220-R224 WeakPolarHBondContact O-CB 3.42Å; T220-R224 PolarHBondContact O-N 3.09Å
221L96.2Very high97.1Very high32 Ų3242.3 Ų42.317%0.16822%0.219CC..Hα-helixtrans-66.3-42.7176-66.2-179.1000111.9S216 D218 R223 R224 Y225S216-L221 WeakPolarHBondContact OG-CB 3.45Å; D218-L221 HydrophobicContact CB-CB 4.15Å; D218-L221 HydrophobicContact CB-CD1 4.1Å; D218-L221 HydrophobicContact CB-CG 4.19Å; D218-L221 PolarHBondContact O-N 3.29Å; D218-L221 PolarHBondContact OD1-N 2.99Å; L221-R223 VanDerWaalsContact C-N 3.32Å; L221-R223 PolarHBondContact O-N 2.87Å; L221-R224 WeakPolarHBondContact O-CB 3.35Å; L221-R224 PolarHBondContact O-N 2.8Å; L221-R224 VanDerWaalsContact O-N 3.15Å; L221-Y225 HydrophobicContact CB-CE2 3.9Å; L221-Y225 WeakPolarHBondContact O-CD2 3.15Å; L221-Y225 VanDerWaalsContact O-CG 3.24Å; L221-Y225 PolarHBondContact O-N 2.75Å
222A97.3Very high97.1Very high5 Ų541.8 Ų41.84%0.04122%0.215CC..Hα-helixtrans-58.4-44.3177.100000111.8D218 E219 Y225 L226 V233 V235D218-A222 VanDerWaalsContact O-CB 3.3Å; D218-A222 WeakPolarHBondContact O-CB 3.36Å; D218-A222 PolarHBondContact O-N 2.89Å; E219-A222 PolarHBondContact O-N 3.46Å; A222-Y225 PolarHBondContact O-N 3.15Å; A222-L226 WeakPolarHBondContact O-CG 3.48Å; A222-L226 PolarHBondContact O-N 2.76Å; A222-L226 VanDerWaalsContact O-N 3.12Å; A222-V233 HydrophobicContact CB-CG1 4.43Å; A222-V235 HydrophobicContact CB-CG1 4.18Å
223R97.9Very high97.1Very high143 Ų14341.8 Ų41.854%0.5421%0.214SC..Hα-helixtrans-62.9-43.2174.6-72.3176.3-176.6-69.7-1.9111.9E219 T220 L221 Y225 L226 E227E219-R223 HydrophobicContact CG-CG 4.48Å; E219-R223 WeakPolarHBondContact O-CB 3.16Å; E219-R223 VanDerWaalsContact O-CG 3.25Å; E219-R223 WeakPolarHBondContact O-CG 3.31Å; E219-R223 PolarHBondContact O-N 2.92Å; E219-R223 IonicContact OE1-CZ 3.6Å; E219-R223 IonicContact OE1-NE 3.76Å; E219-R223 PolarHBondContact OE1-NE 3.47Å; E219-R223 IonicContact OE1-NH2 2.67Å; E219-R223 PolarHBondContact OE1-NH2 2.92Å; T220-R223 PolarHBondContact O-N 3.38Å; L221-R223 VanDerWaalsContact C-N 3.32Å; L221-R223 PolarHBondContact O-N 2.87Å; R223-Y225 VanDerWaalsContact C-N 3.34Å; R223-Y225 PolarHBondContact O-N 3.47Å; R223-L226 WeakPolarHBondContact O-CB 3.32Å; R223-L226 PolarHBondContact O-N 3.04Å; R223-E227 WeakPolarHBondContact O-CG 3.35Å; R223-E227 PolarHBondContact O-N 2.91Å
224R97.8Very high97.1Very high98 Ų9841.7 Ų41.737%0.3721%0.214SC..Hα-helixtrans-57.7-44.7175.3176.559.1175.2179.43.5111.9E199 T220 L221 L226 E227 L228E199-R224 IonicContact OE1-CZ 3.22Å; E199-R224 IonicContact OE1-NE 2.89Å; E199-R224 PolarHBondContact OE1-NE 3.21Å; E199-R224 IonicContact OE1-NH2 2.69Å; E199-R224 PolarHBondContact OE1-NH2 3.46Å; E199-R224 VanDerWaalsContact OE1-NH2 3.13Å; E199-R224 IonicContact OE2-CZ 3.52Å; E199-R224 IonicContact OE2-NE 3.13Å; E199-R224 IonicContact OE2-NH2 3.39Å; E199-R224 PolarHBondContact OE2-NH2 3.33Å; T220-R224 WeakPolarHBondContact O-CB 3.42Å; T220-R224 PolarHBondContact O-N 3.09Å; L221-R224 WeakPolarHBondContact O-CB 3.35Å; L221-R224 PolarHBondContact O-N 2.8Å; L221-R224 VanDerWaalsContact O-N 3.15Å; R224-L226 VanDerWaalsContact C-N 3.34Å; R224-L226 PolarHBondContact O-N 3.48Å; R224-E227 WeakPolarHBondContact O-CB 3.49Å; R224-E227 PolarHBondContact O-N 2.96Å; R224-L228 HydrophobicContact CG-CD1 4.13Å; R224-L228 VanDerWaalsContact O-CG 3.31Å; R224-L228 WeakPolarHBondContact O-CG 3.4Å; R224-L228 PolarHBondContact O-N 3.34Å
225Y98Very high97.1Very high2 Ų244.1 Ų44.11%0.00823%0.229CC..Hα-helixtrans-66-36.3178.3-57.7-42.6000112.9Q195 I198 I202 I214 L221 A222 R223 L228 G229 C230Q195-Y225 PolarHBondContact NE2-OH 3.26Å; Q195-Y225 PolarHBondContact OE1-OH 3.4Å; I198-Y225 HydrophobicContact CG2-CD1 4.17Å; I198-Y225 HydrophobicContact CG2-CE1 3.52Å; I202-Y225 HydrophobicContact CD1-CD1 3.74Å; I202-Y225 HydrophobicContact CD1-CE1 4.4Å; I202-Y225 HydrophobicContact CD1-CG 4.46Å; I214-Y225 HydrophobicContact CD1-CD1 4.4Å; I214-Y225 HydrophobicContact CD1-CD2 4.07Å; I214-Y225 HydrophobicContact CD1-CE1 4.06Å; I214-Y225 HydrophobicContact CD1-CE2 3.68Å; I214-Y225 HydrophobicContact CD1-CG 4.42Å; I214-Y225 HydrophobicContact CG1-CD2 4.34Å; I214-Y225 HydrophobicContact CG1-CE2 4.18Å; I214-Y225 HydrophobicContact CG2-CD2 3.45Å; I214-Y225 VanDerWaalsContact CG2-CD2 3.45Å; I214-Y225 HydrophobicContact CG2-CE2 4.14Å; I214-Y225 HydrophobicContact CG2-CG 3.69Å; L221-Y225 HydrophobicContact CB-CE2 3.9Å; L221-Y225 WeakPolarHBondContact O-CD2 3.15Å; L221-Y225 VanDerWaalsContact O-CG 3.24Å; L221-Y225 PolarHBondContact O-N 2.75Å; A222-Y225 PolarHBondContact O-N 3.15Å; R223-Y225 VanDerWaalsContact C-N 3.34Å; R223-Y225 PolarHBondContact O-N 3.47Å; Y225-L228 HydrophobicContact CD1-CD1 4.41Å; Y225-L228 PolarHBondContact O-N 3.37Å; Y225-G229 PolarHBondContact O-N 3Å; Y225-C230 VanDerWaalsContact O-CB 3.31Å; Y225-C230 WeakPolarHBondContact O-CB 3.46Å; Y225-C230 PolarHBondContact O-N 2.88Å
226L98.1Very high97.1Very high53 Ų5344.1 Ų44.128%0.27723%0.229SC..Hα-helixtrans-63.3-43.2172.3-68.2166.8000111.4A17 I19 A222 R223 R224 L228 G229 V233A17-L226 HydrophobicContact CB-CD2 3.7Å; I19-L226 HydrophobicContact CD1-CD1 3.89Å; I19-L226 HydrophobicContact CD1-CD2 3.84Å; A222-L226 WeakPolarHBondContact O-CG 3.48Å; A222-L226 PolarHBondContact O-N 2.76Å; A222-L226 VanDerWaalsContact O-N 3.12Å; R223-L226 WeakPolarHBondContact O-CB 3.32Å; R223-L226 PolarHBondContact O-N 3.04Å; R224-L226 VanDerWaalsContact C-N 3.34Å; R224-L226 PolarHBondContact O-N 3.48Å; L226-L228 VanDerWaalsContact C-N 3.28Å; L226-L228 PolarHBondContact O-N 3.37Å; L226-G229 WeakPolarHBondContact O-CA 3.3Å; L226-G229 PolarHBondContact O-N 3.35Å; L226-V233 HydrophobicContact CD2-CB 4.12Å; L226-V233 HydrophobicContact CD2-CG2 3.65Å; L226-V233 HydrophobicContact CG-CG2 4.09Å
227E97.7Very high97.2Very high145 Ų14544.1 Ų44.168%0.67823%0.229SC*.Hα-helixtrans-61.5-35.6175-70.7169.4-173.600112.5R223 R224 G229R223-E227 WeakPolarHBondContact O-CG 3.35Å; R223-E227 PolarHBondContact O-N 2.91Å; R224-E227 WeakPolarHBondContact O-CB 3.49Å; R224-E227 PolarHBondContact O-N 2.96Å; E227-G229 PolarHBondContact O-N 3.19Å
228L97.5Very high97.4Very high15 Ų1543.1 Ų43.18%0.07922%0.219CC..THydrogen-bonded Turntrans-73.6-6.1174.6-67.5168.5000113.4E199 I202 R206 R224 Y225 L226E199-L228 HydrophobicContact CB-CD1 4.13Å; E199-L228 HydrophobicContact CG-CD1 3.52Å; I202-L228 HydrophobicContact CD1-CD1 4.23Å; I202-L228 HydrophobicContact CG2-CB 4.01Å; R206-L228 VanDerWaalsContact CD-O 3.26Å; R206-L228 WeakPolarHBondContact CD-O 3.31Å; R206-L228 PolarHBondContact NH1-O 2.98Å; R224-L228 HydrophobicContact CG-CD1 4.13Å; R224-L228 VanDerWaalsContact O-CG 3.31Å; R224-L228 WeakPolarHBondContact O-CG 3.4Å; R224-L228 PolarHBondContact O-N 3.34Å; Y225-L228 HydrophobicContact CD1-CD1 4.41Å; Y225-L228 PolarHBondContact O-N 3.37Å; L226-L228 VanDerWaalsContact C-N 3.28Å; L226-L228 PolarHBondContact O-N 3.37Å
229G96.8Very high97.6Very high27 Ų2742.7 Ų42.728%0.27822%0.218SC..THydrogen-bonded Turntrans91.124.1174.600000114.7R206 Y225 L226 E227 A231R206-G229 WeakPolarHBondContact CD-O 3.36Å; Y225-G229 PolarHBondContact O-N 3Å; L226-G229 WeakPolarHBondContact O-CA 3.3Å; L226-G229 PolarHBondContact O-N 3.35Å; E227-G229 PolarHBondContact O-N 3.19Å; G229-A231 PolarHBondContact O-N 3.41Å
230C98.1Very high97.7Very high2 Ų238.5 Ų38.51%0.01420%0.202CC..  trans-59.5127.6165-75.50000110.1I202 A212 Y225 V233I202-C230 VanDerWaalsContact CD1-SG 3.54Å; A212-C230 CarbonylContact O-C 3.56Å; A212-C230 WeakPolarHBondContact O-CA 3.43Å; Y225-C230 VanDerWaalsContact O-CB 3.31Å; Y225-C230 WeakPolarHBondContact O-CB 3.46Å; Y225-C230 PolarHBondContact O-N 2.88Å; C230-V233 HydrophobicContact CB-CG2 3.49Å; C230-V233 VanDerWaalsContact CB-CG2 3.49Å
231A97.9Very high97.7Very high9 Ų936.1 Ų36.17%0.07419%0.185CC..SBendtrans-90.9-16.3-174.800000113.1L12 A17 Q18 A211 A212 G229L12-A231 HydrophobicContact CD2-CB 4.03Å; A17-A231 WeakPolarHBondContact CA-O 3.48Å; Q18-A231 PolarHBondContact N-O 3.23Å; A211-A231 HydrophobicContact CB-CB 4.06Å; A212-A231 PolarHBondContact O-N 2.85Å; G229-A231 PolarHBondContact O-N 3.41Å
232F98.4Very high97.8Very high1 Ų138.5 Ų38.50%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-145.5107.6176.558-73.2000110.3F8 L12 Q18 W41 L148 F173 A211 A212 G213 I214F8-F232 HydrophobicContact CE2-CB 4.01Å; F8-F232 HydrophobicContact CZ-CB 3.89Å; F8-F232 HydrophobicContact CZ-CD2 4.18Å; F8-F232 HydrophobicContact CZ-CG 4.02Å; L12-F232 HydrophobicContact CD2-CB 4.12Å; L12-F232 HydrophobicContact CD2-CD1 3.55Å; L12-F232 HydrophobicContact CD2-CE1 4.33Å; L12-F232 HydrophobicContact CD2-CG 4.12Å; Q18-F232 WeakPolarHBondContact O-CA 3.39Å; W41-F232 HydrophobicContact CZ2-CB 4.06Å; W41-F232 HydrophobicContact CZ2-CD2 4.3Å; L148-F232 HydrophobicContact CD1-CD2 4.21Å; L148-F232 HydrophobicContact CD1-CE2 3.72Å; L148-F232 HydrophobicContact CD1-CZ 4.23Å; L148-F232 HydrophobicContact CD2-CE1 4.21Å; L148-F232 HydrophobicContact CD2-CE2 4.15Å; L148-F232 HydrophobicContact CD2-CZ 3.79Å; L148-F232 HydrophobicContact CG-CE2 4.4Å; L148-F232 HydrophobicContact CG-CZ 4.45Å; F173-F232 HydrophobicContact CB-CE2 4.24Å; F173-F232 HydrophobicContact CB-CZ 4.44Å; F173-F232 HydrophobicContact CD2-CD2 4.17Å; F173-F232 AromaticContact CD2-CE2 3.62Å; F173-F232 HydrophobicContact CD2-CE2 3.62Å; F173-F232 HydrophobicContact CD2-CZ 4.43Å; F173-F232 HydrophobicContact CG-CE2 4.42Å; A211-F232 HydrophobicContact CB-CD1 4.03Å; A211-F232 HydrophobicContact CB-CE1 3.67Å; A211-F232 WeakPolarHBondContact O-CE1 3.37Å; A212-F232 VanDerWaalsContact C-CE1 3.42Å; A212-F232 WeakPolarHBondContact O-CD1 3.13Å; A212-F232 WeakPolarHBondContact O-CE1 3.4Å; G213-F232 WeakPolarHBondContact CA-O 3.49Å; I214-F232 PolarHBondContact N-O 2.86Å
233V98.5Very high97.8Very high0 Ų042.3 Ų42.30%022%0.216CC..EExtended strand (participates in β ladder)trans-120.3121.2-174.7-178.20000109.8Q18 G20 I214 A222 L226 C230 V235Q18-V233 PolarHBondContact O-N 3.49Å; G20-V233 PolarHBondContact N-O 3.36Å; I214-V233 HydrophobicContact CG2-CG1 4.19Å; I214-V233 HydrophobicContact CG2-CG2 4.22Å; I214-V233 CarbonylContact O-C 3.37Å; I214-V233 WeakPolarHBondContact O-CA 3.45Å; A222-V233 HydrophobicContact CB-CG1 4.43Å; L226-V233 HydrophobicContact CD2-CB 4.12Å; L226-V233 HydrophobicContact CD2-CG2 3.65Å; L226-V233 HydrophobicContact CG-CG2 4.09Å; C230-V233 HydrophobicContact CB-CG2 3.49Å; C230-V233 VanDerWaalsContact CB-CG2 3.49Å; V233-V235 HydrophobicContact CG1-CG1 4.12Å
234A98.4Very high97.7Very high0 Ų042.3 Ų42.30%022%0.216CC..EExtended strand (participates in β ladder)trans-81.6127.3168.700000108.9G20 W22 W41 I214 L215 S216G20-A234 VanDerWaalsContact O-CA 3.31Å; G20-A234 WeakPolarHBondContact O-CA 3.49Å; W22-A234 HydrophobicContact CE3-CB 3.92Å; W22-A234 HydrophobicContact CZ3-CB 4.46Å; W41-A234 HydrophobicContact CH2-CB 3.67Å; W41-A234 HydrophobicContact CZ2-CB 4.07Å; W41-A234 HydrophobicContact CZ3-CB 4.45Å; I214-A234 PolarHBondContact O-N 3.14Å; L215-A234 WeakPolarHBondContact CA-O 3.4Å; L215-A234 HydrophobicContact CB-CB 4.1Å; L215-A234 HydrophobicContact CD1-CB 3.47Å; L215-A234 VanDerWaalsContact CD1-CB 3.47Å; L215-A234 HydrophobicContact CG-CB 4.37Å; S216-A234 PolarHBondContact N-O 2.73Å
235V97.9Very high97.7Very high51 Ų5140.8 Ų40.831%0.30922%0.22SC..EExtended strand (participates in β ladder)trans-10711.2-171.9-610000113.4I19 G20 F39 S216 A222 V233I19-V235 HydrophobicContact CG2-CB 4.43Å; I19-V235 HydrophobicContact CG2-CG1 3.86Å; I19-V235 HydrophobicContact CG2-CG2 3.65Å; G20-V235 PolarHBondContact O-N 3.04Å; F39-V235 HydrophobicContact CE1-CG2 3.87Å; S216-V235 CarbonylContact O-C 3.56Å; S216-V235 VanDerWaalsContact O-CA 3.31Å; S216-V235 WeakPolarHBondContact O-CA 3.28Å; A222-V235 HydrophobicContact CB-CG1 4.18Å; V233-V235 HydrophobicContact CG1-CG1 4.12Å
236G97.5Very high97.6Very high3 Ų345.1 Ų45.13%0.03124%0.243CC..EExtended strand (participates in β ladder)trans170.5176.4179.400000113L21 W22L21-G236 VanDerWaalsContact CD1-C 3.48Å; L21-G236 WeakPolarHBondContact CD1-O 3.48Å; W22-G236 WeakPolarHBondContact CB-O 3.06Å; W22-G236 PolarHBondContact N-O 3.29Å
237V98.3Very high97.5Very high7 Ų750.4 Ų50.44%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-130.5129.4177.9-176.20000109.3W22 L215 T239 S240 L241 Y267W22-V237 HydrophobicContact CB-CB 4.17Å; W22-V237 HydrophobicContact CB-CG1 4.18Å; W22-V237 HydrophobicContact CB-CG2 3.6Å; W22-V237 HydrophobicContact CG-CG2 4.23Å; W22-V237 WeakPolarHBondContact O-CA 3.48Å; L215-V237 HydrophobicContact CD1-CG2 4.17Å; L215-V237 HydrophobicContact CD2-CG2 4.16Å; V237-T239 VanDerWaalsContact C-N 3.33Å; V237-T239 WeakPolarHBondContact CG1-OG1 3.26Å; V237-T239 PolarHBondContact O-N 3.2Å; V237-S240 PolarHBondContact O-N 3.35Å; V237-L241 VanDerWaalsContact O-CG 3.3Å; V237-L241 WeakPolarHBondContact O-CG 3.45Å; V237-L241 PolarHBondContact O-N 2.87Å; V237-Y267 HydrophobicContact CG2-CD1 3.52Å; V237-Y267 HydrophobicContact CG2-CE1 4.15Å
238D98Very high97.4Very high16 Ų1648.2 Ų48.29%0.08625%0.249CC..Hα-helixtrans-54-43.3-175.564.2-12.2000113.7L21 W22 L23 G24 L25 L241 L242L21-D238 HydrophobicContact CD2-CB 4.4Å; W22-D238 PolarHBondContact O-N 3.44Å; L23-D238 WeakPolarHBondContact CA-OD2 3.22Å; L23-D238 HydrophobicContact CD2-CB 3.94Å; G24-D238 WeakPolarHBondContact CA-OD1 3.43Å; G24-D238 VanDerWaalsContact N-CG 3.32Å; G24-D238 PolarHBondContact N-OD1 3.27Å; G24-D238 PolarHBondContact N-OD2 3.31Å; L25-D238 WeakPolarHBondContact CB-OD2 3.3Å; L25-D238 HydrophobicContact CD1-CB 4.19Å; L25-D238 WeakPolarHBondContact CG-OD2 3.27Å; L25-D238 PolarHBondContact N-OD1 3.28Å; L25-D238 PolarHBondContact N-OD2 2.67Å; L25-D238 VanDerWaalsContact N-OD2 3.08Å; D238-L241 PolarHBondContact O-N 3.01Å; D238-L242 VanDerWaalsContact O-CB 3.31Å; D238-L242 WeakPolarHBondContact O-CB 3.39Å; D238-L242 PolarHBondContact O-N 3.35Å
239T97.9Very high97.4Very high55 Ų5551.3 Ų51.334%0.33727%0.265SS..Hα-helixtrans-63.6-43.9179.953.40000111.3L25 V237 M243L25-T239 HydrophobicContact CD2-CG2 3.93Å; L25-T239 HydrophobicContact CG-CG2 3.92Å; V237-T239 VanDerWaalsContact C-N 3.33Å; V237-T239 WeakPolarHBondContact CG1-OG1 3.26Å; V237-T239 PolarHBondContact O-N 3.2Å; T239-M243 WeakPolarHBondContact O-CB 2.97Å; T239-M243 PolarHBondContact O-N 2.87Å
240S96.8Very high97.3Very high33 Ų3352.3 Ų52.323%0.23127%0.27CS..Hα-helixtrans-66-43.9175.7-610000112.1V237 L242 M243 R244 Y267V237-S240 PolarHBondContact O-N 3.35Å; S240-L242 PolarHBondContact O-N 2.96Å; S240-M243 PolarHBondContact O-N 2.56Å; S240-R244 VanDerWaalsContact O-CB 3.28Å; S240-R244 WeakPolarHBondContact O-CB 3.41Å; S240-R244 PolarHBondContact O-N 2.84Å; S240-Y267 WeakPolarHBondContact CB-O 3.37Å; S240-Y267 PolarHBondContact OG-O 3.3Å
241L97.4Very high97.2Very high62 Ų6253.4 Ų53.433%0.32528%0.282SS..Hα-helixtrans-60.5-45.2177.1-68.5174.6000111.5L21 V237 D238 S245L21-L241 HydrophobicContact CD1-CD1 3.74Å; V237-L241 VanDerWaalsContact O-CG 3.3Å; V237-L241 WeakPolarHBondContact O-CG 3.45Å; V237-L241 PolarHBondContact O-N 2.87Å; D238-L241 PolarHBondContact O-N 3.01Å; L241-S245 WeakPolarHBondContact O-CB 3.35Å; L241-S245 PolarHBondContact O-N 2.89Å; L241-S245 VanDerWaalsContact O-N 3.14Å; L241-S245 PolarHBondContact O-OG 3.4Å
242L97.7Very high97Very high81 Ų8160.8 Ų60.842%0.42431%0.308SS..Hα-helixtrans-65.6-49.2177.2-179.760.3000111.1L25 D238 S240 R244 S245 L246L25-L242 HydrophobicContact CD1-CD2 4.26Å; L25-L242 HydrophobicContact CD2-CD2 4.13Å; D238-L242 VanDerWaalsContact O-CB 3.31Å; D238-L242 WeakPolarHBondContact O-CB 3.39Å; D238-L242 PolarHBondContact O-N 3.35Å; S240-L242 PolarHBondContact O-N 2.96Å; L242-R244 VanDerWaalsContact C-N 3.34Å; L242-R244 PolarHBondContact O-N 2.69Å; L242-S245 PolarHBondContact O-N 3.19Å; L242-L246 HydrophobicContact CD1-CD1 4.03Å; L242-L246 HydrophobicContact CD1-CD2 4.46Å; L242-L246 HydrophobicContact CD1-CG 4.01Å; L242-L246 HydrophobicContact CG-CD1 3.85Å; L242-L246 HydrophobicContact CG-CG 4.27Å; L242-L246 WeakPolarHBondContact O-CB 3.31Å; L242-L246 VanDerWaalsContact O-CG 3.27Å; L242-L246 WeakPolarHBondContact O-CG 3.28Å; L242-L246 PolarHBondContact O-N 3.48Å
243M97.5Very high96.9Very high86 Ų8669 Ų6942%0.42434%0.344SS..Hα-helixtrans-59.7-44-179.3-174.755.149.500112T239 S240 L246 R247T239-M243 WeakPolarHBondContact O-CB 2.97Å; T239-M243 PolarHBondContact O-N 2.87Å; S240-M243 PolarHBondContact O-N 2.56Å; M243-L246 PolarHBondContact O-N 3.04Å; M243-R247 WeakPolarHBondContact O-CB 3.25Å; M243-R247 VanDerWaalsContact O-CG 3.31Å; M243-R247 WeakPolarHBondContact O-CG 3.49Å; M243-R247 PolarHBondContact O-N 3.4Å; M243-R247 HydrophobicContact SD-CG 4.24Å
244R95.8Very high96.7Very high143 Ų14377.8 Ų77.854%0.5438%0.382SS..Hα-helixtrans-58.1-50174.8179.4174.659.2158.2-0.8111.2S240 L242 L246 R247 E248S240-R244 VanDerWaalsContact O-CB 3.28Å; S240-R244 WeakPolarHBondContact O-CB 3.41Å; S240-R244 PolarHBondContact O-N 2.84Å; L242-R244 VanDerWaalsContact C-N 3.34Å; L242-R244 PolarHBondContact O-N 2.69Å; R244-L246 PolarHBondContact O-N 3.39Å; R244-R247 PolarHBondContact O-N 2.94Å; R244-E248 WeakPolarHBondContact O-CB 3.42Å; R244-E248 PolarHBondContact O-N 2.88Å
245S96.8Very high95.8Very high66 Ų6681.5 Ų81.546%0.46242%0.42SS..Hα-helixtrans-64.1-40.8-178.8-55.20000112.3L241 L242 L249L241-S245 WeakPolarHBondContact O-CB 3.35Å; L241-S245 PolarHBondContact O-N 2.89Å; L241-S245 VanDerWaalsContact O-N 3.14Å; L241-S245 PolarHBondContact O-OG 3.4Å; L242-S245 PolarHBondContact O-N 3.19Å; S245-L249 WeakPolarHBondContact O-CB 3.31Å; S245-L249 PolarHBondContact O-N 3.14Å
246L97.3Very high94.5Very high92 Ų9281.2 Ų81.248%0.48243%0.428SS..Hα-helixtrans-63.9-43.7175.8-70174.2000111.7L242 M243 R244 A250L242-L246 HydrophobicContact CD1-CD1 4.03Å; L242-L246 HydrophobicContact CD1-CD2 4.46Å; L242-L246 HydrophobicContact CD1-CG 4.01Å; L242-L246 HydrophobicContact CG-CD1 3.85Å; L242-L246 HydrophobicContact CG-CG 4.27Å; L242-L246 WeakPolarHBondContact O-CB 3.31Å; L242-L246 VanDerWaalsContact O-CG 3.27Å; L242-L246 WeakPolarHBondContact O-CG 3.28Å; L242-L246 PolarHBondContact O-N 3.48Å; M243-L246 PolarHBondContact O-N 3.04Å; R244-L246 PolarHBondContact O-N 3.39Å; L246-A250 WeakPolarHBondContact O-CB 3.39Å; L246-A250 PolarHBondContact O-N 2.92Å
247R95.9Very high92.8Very high165 Ų16585.5 Ų85.562%0.62346%0.463SS*.Hα-helixtrans-64.6-44.9177.1-77.1177.3179.6168.61112M243 R244 A250 G251M243-R247 WeakPolarHBondContact O-CB 3.25Å; M243-R247 VanDerWaalsContact O-CG 3.31Å; M243-R247 WeakPolarHBondContact O-CG 3.49Å; M243-R247 PolarHBondContact O-N 3.4Å; M243-R247 HydrophobicContact SD-CG 4.24Å; R244-R247 PolarHBondContact O-N 2.94Å; R247-A250 PolarHBondContact O-N 3.45Å; R247-G251 PolarHBondContact O-N 3.42Å
248E95.8Very high90.9Very high98 Ų9891.1 Ų91.146%0.45850%0.499SS..Hα-helixtrans-60.7-46.4177.4-171.9-165.5144.300111.2R244 G251 R252R244-E248 WeakPolarHBondContact O-CB 3.42Å; R244-E248 PolarHBondContact O-N 2.88Å; E248-G251 PolarHBondContact O-N 2.85Å; E248-R252 WeakPolarHBondContact O-CG 3.27Å; E248-R252 PolarHBondContact O-N 3.46Å; E248-R252 VanDerWaalsContact O-N 3.08Å; E248-R252 IonicContact OE1-CZ 3.84Å; E248-R252 IonicContact OE1-NE 2.81Å; E248-R252 IonicContact OE1-NH2 3.85Å
249L96Very high89.1Confident81 Ų8193 Ų9342%0.42452%0.517SS..Hα-helixtrans-60.2-49.8175.8-176.764.8000111.3S245 G251 R252 F253S245-L249 WeakPolarHBondContact O-CB 3.31Å; S245-L249 PolarHBondContact O-N 3.14Å; L249-G251 VanDerWaalsContact C-N 3.31Å; L249-G251 PolarHBondContact O-N 3.36Å; L249-R252 PolarHBondContact O-N 3Å; L249-F253 HydrophobicContact CD1-CD2 3.96Å; L249-F253 HydrophobicContact CD1-CE2 3.6Å; L249-F253 HydrophobicContact CG-CD2 4.48Å; L249-F253 WeakPolarHBondContact O-CD2 3.47Å; L249-F253 PolarHBondContact O-N 3.48Å
250A96.4Very high87.1Confident47 Ų4796.1 Ų96.139%0.38854%0.538SS..Hα-helixtrans-59.7-41.4178.500000112.3L246 R247 F253 K254L246-A250 WeakPolarHBondContact O-CB 3.39Å; L246-A250 PolarHBondContact O-N 2.92Å; R247-A250 PolarHBondContact O-N 3.45Å; A250-F253 PolarHBondContact O-N 2.84Å; A250-K254 WeakPolarHBondContact O-CB 3.35Å; A250-K254 PolarHBondContact O-N 3.33Å
251G95.1Very high85.2Confident25 Ų2599.9 Ų99.926%0.25857%0.565SS.*Hα-helixtrans-59.6-45.1177.300000112.6R247 E248 L249 F253 K254 G255R247-G251 PolarHBondContact O-N 3.42Å; E248-G251 PolarHBondContact O-N 2.85Å; L249-G251 VanDerWaalsContact C-N 3.31Å; L249-G251 PolarHBondContact O-N 3.36Å; G251-F253 VanDerWaalsContact C-N 3.25Å; G251-F253 PolarHBondContact O-N 2.91Å; G251-K254 PolarHBondContact O-N 3.29Å; G251-G255 PolarHBondContact O-N 2.93Å
252R94.4Very high83.1Confident165 Ų165100.6 Ų100.662%0.62358%0.58SS**Hα-helixtrans-58.8-31.9178.2-75.2-174.2-71.8175.9-5.9113.9E248 L249E248-R252 WeakPolarHBondContact O-CG 3.27Å; E248-R252 PolarHBondContact O-N 3.46Å; E248-R252 VanDerWaalsContact O-N 3.08Å; E248-R252 IonicContact OE1-CZ 3.84Å; E248-R252 IonicContact OE1-NE 2.81Å; E248-R252 IonicContact OE1-NH2 3.85Å; L249-R252 PolarHBondContact O-N 3Å
253F95.3Very high81.1Confident174 Ų174100 Ų10076%0.76358%0.582SS**Hα-helixtrans-101.9-18.9-176.7-72.9-82.3000114.8L249 A250 G251L249-F253 HydrophobicContact CD1-CD2 3.96Å; L249-F253 HydrophobicContact CD1-CE2 3.6Å; L249-F253 HydrophobicContact CG-CD2 4.48Å; L249-F253 WeakPolarHBondContact O-CD2 3.47Å; L249-F253 PolarHBondContact O-N 3.48Å; A250-F253 PolarHBondContact O-N 2.84Å; G251-F253 VanDerWaalsContact C-N 3.25Å; G251-F253 PolarHBondContact O-N 2.91Å
254K93.8Very high79.1Confident184 Ų18499.2 Ų99.280%0.859%0.585SS**Hα-helixtrans-96.71.1179.5-70.6-171.4173.8-176.40114.6A250 G251 G256A250-K254 WeakPolarHBondContact O-CB 3.35Å; A250-K254 PolarHBondContact O-N 3.33Å; G251-K254 PolarHBondContact O-N 3.29Å; K254-G256 PolarHBondContact O-N 3.43Å
255G80.1Confident77.9Confident77 Ų7794.2 Ų94.279%0.79457%0.572SS**THydrogen-bonded Turntrans67.319.3-179.500000114.1G251G251-G255 PolarHBondContact O-N 2.93Å
256G69.9Low76.6Confident46 Ų4691.4 Ų91.447%0.47455%0.552SS.*PPolyproline II helixtrans-77.4150.9174.500000111.4K254K254-G256 PolarHBondContact O-N 3.43Å
257A62.9Low75.5Confident92 Ų9290.3 Ų90.376%0.7654%0.542SS*.PPolyproline II helixtrans-48.3147.5172.600000111.3A259A257-A259 PolarHBondContact O-N 3.29Å
258P58.3Low73.5Confident125 Ų12585 Ų8581%0.81254%0.538SS*.PPolyproline II helixtrans-51.8140.9-179.719.5-30.5000110.6
259A59.9Low72.4Confident56 Ų5684.3 Ų84.346%0.46354%0.543SS..PPolyproline II helixtrans-48.9141.3179.300000110.1A257 S261A257-A259 PolarHBondContact O-N 3.29Å; A259-S261 PolarHBondContact O-N 3.28Å
260P56.6Low71.1Confident120 Ų12084.5 Ų84.578%0.77955%0.549SS*.PPolyproline II helixtrans-53.2137.3174.120.8-30.1000109.3
261S55.3Low69.7Low113 Ų11386.6 Ų86.679%0.7956%0.558SS**PPolyproline II helixtrans-53.9146.1172540000109.5A259 S263A259-S261 PolarHBondContact O-N 3.28Å; S261-S263 PolarHBondContact O-N 3.08Å
262A54.7Low68.3Low77 Ų7790.2 Ų90.264%0.63658%0.575SS**  trans-39.8133.7-179.200000111.9
263S54.4Low66.6Low68 Ų6885.5 Ų85.548%0.47657%0.572SS.*  trans-76151.9173.688.10000108.4S261 S265 G268S261-S263 PolarHBondContact O-N 3.08Å; S263-S265 PolarHBondContact O-N 3.47Å; S263-S265 WeakPolarHBondContact OG-CB 3.4Å; S263-S265 PolarHBondContact OG-N 3.24Å; S263-G268 WeakPolarHBondContact CA-OXT 3.36Å; S263-G268 VanDerWaalsContact CB-OXT 3.26Å; S263-G268 WeakPolarHBondContact CB-OXT 3.44Å; S263-G268 PolarHBondContact N-OXT 3.31Å; S263-G268 VanDerWaalsContact O-OXT 3.07Å; S263-G268 PolarHBondContact OG-OXT 3.44Å
264S57.3Low64.7Low70 Ų7079.6 Ų79.649%0.4956%0.56SS.*SBendtrans-72.320.6174.460.50000113.2P189P189-S264 WeakPolarHBondContact CD-O 3.42Å; P189-S264 WeakPolarHBondContact CG-O 3.48Å
265S70.3Confident62.6Low37 Ų3772.1 Ų72.126%0.25954%0.542SS..SBendtrans-73.6148.9178.2176.70000110.3S263 Y267 G268S263-S265 PolarHBondContact O-N 3.47Å; S263-S265 WeakPolarHBondContact OG-CB 3.4Å; S263-S265 PolarHBondContact OG-N 3.24Å; S265-Y267 PolarHBondContact O-N 3.37Å; S265-Y267 PolarHBondContact OG-N 3.4Å; S265-G268 PolarHBondContact O-N 2.96Å
266V69.8Low61.3Low8 Ų871.8 Ų71.85%0.04852%0.523CS..THydrogen-bonded Turntrans-49.5-33172.7177.30000111.9P176 A177 P189 L215 A217P176-V266 HydrophobicContact CB-CG2 4.01Å; P176-V266 HydrophobicContact CG-CB 4.46Å; P176-V266 HydrophobicContact CG-CG1 3.83Å; P176-V266 HydrophobicContact CG-CG2 3.73Å; A177-V266 HydrophobicContact CB-CB 4.22Å; A177-V266 HydrophobicContact CB-CG2 3.79Å; P189-V266 HydrophobicContact CB-CG2 3.62Å; P189-V266 HydrophobicContact CG-CG2 3.51Å; L215-V266 HydrophobicContact CB-CG1 4.29Å; L215-V266 HydrophobicContact CD2-CG1 3.71Å; L215-V266 HydrophobicContact CG-CG1 3.71Å; A217-V266 VanDerWaalsContact CB-O 3.32Å; A217-V266 WeakPolarHBondContact CB-O 3.46Å; A217-V266 PolarHBondContact N-O 3.37Å; A217-V266 VanDerWaalsContact N-O 3.09Å
267Y72.3Confident60.6Low68 Ų6873.9 Ų73.927%0.26753%0.527SS..THydrogen-bonded Turntrans-97.7-3.8-175.5-58.4-61.7000114.7A177 L215 V237 S240 S265A177-Y267 HydrophobicContact CB-CE2 4.35Å; L215-Y267 HydrophobicContact CD2-CD1 3.81Å; L215-Y267 HydrophobicContact CD2-CE1 3.4Å; V237-Y267 HydrophobicContact CG2-CD1 3.52Å; V237-Y267 HydrophobicContact CG2-CE1 4.15Å; S240-Y267 WeakPolarHBondContact CB-O 3.37Å; S240-Y267 PolarHBondContact OG-O 3.3Å; S265-Y267 PolarHBondContact O-N 3.37Å; S265-Y267 PolarHBondContact OG-N 3.4Å
268G55.1Low60.4Low53 Ų5372.3 Ų72.355%0.54651%0.506SS..  trans90.70-177.200000114.8S263 S265S263-G268 WeakPolarHBondContact CA-OXT 3.36Å; S263-G268 VanDerWaalsContact CB-OXT 3.26Å; S263-G268 WeakPolarHBondContact CB-OXT 3.44Å; S263-G268 PolarHBondContact N-OXT 3.31Å; S263-G268 VanDerWaalsContact O-OXT 3.07Å; S263-G268 PolarHBondContact OG-OXT 3.44Å; S265-G268 PolarHBondContact O-N 2.96Å

Retrieved 268 of 268 residues in 120.6 ms (Link to these results)

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