A0A087XA59_POEFO Loading...

L-lactate dehydrogenase

Interconverts simultaneously and stereospecifically pyruvate and lactate with concomitant interconversion of NADH and NAD(+).

AlphaFold DB , UniProt , Accession A0A087XA59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 332 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M79.5Confident90.7Very high178 Ų178125.9 Ų125.988%0.87766%0.664SS**  01220-69.8-171.5-72.400109.8E5 K6M1-E5 VanDerWaalsContact C-OE2 3.29Å; M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 HydrophobicContact CB-CB 4.25Å; M1-K6 HydrophobicContact CB-CG 4.05Å; M1-K6 WeakPolarHBondContact O-CE 3.36Å
2S91.8Very high90.2Very high55 Ų55125.8 Ų125.839%0.38566%0.66SS.*  trans-66.7164.5174.874.40000111.6Q4 E5 K6S2-Q4 PolarHBondContact O-N 2.91Å; S2-Q4 PolarHBondContact OG-N 3.28Å; S2-E5 PolarHBondContact N-OE2 3.08Å; S2-E5 PolarHBondContact O-N 2.78Å; S2-E5 WeakPolarHBondContact OG-CG 3.35Å; S2-E5 PolarHBondContact OG-N 2.9Å; S2-E5 VanDerWaalsContact OG-N 3.1Å; S2-K6 WeakPolarHBondContact O-CG 3.47Å; S2-K6 PolarHBondContact O-N 2.98Å; S2-K6 VanDerWaalsContact O-N 3.1Å
3T94.8Very high89.4Confident121 Ų121132.5 Ų132.574%0.74268%0.68SS**Hα-helixtrans-55.4-39.7173.2-56.80000111.3K6 L7T3-K6 PolarHBondContact O-N 2.88Å; T3-L7 VanDerWaalsContact O-CB 3.26Å; T3-L7 WeakPolarHBondContact O-CB 3.43Å; T3-L7 PolarHBondContact O-N 3.28Å
4Q91.6Very high88.6Confident122 Ų122135.1 Ų135.157%0.5769%0.688SS**Hα-helixtrans-62.9-46.5177.2-177176.8-7.700111.8S2 K6 L7 I8S2-Q4 PolarHBondContact O-N 2.91Å; S2-Q4 PolarHBondContact OG-N 3.28Å; Q4-K6 PolarHBondContact O-N 3.46Å; Q4-L7 PolarHBondContact O-N 2.94Å; Q4-L7 VanDerWaalsContact O-N 3.14Å; Q4-I8 HydrophobicContact CG-CD1 4.39Å; Q4-I8 PolarHBondContact O-N 3.21Å
5E91.4Very high87.3Confident127 Ų127138.3 Ų138.359%0.59370%0.699SS**Hα-helixtrans-64.6-28.2179-71.4168.4165.900112.9M1 S2M1-E5 VanDerWaalsContact C-OE2 3.29Å; M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 HydrophobicContact CB-CB 4.25Å; S2-E5 PolarHBondContact N-OE2 3.08Å; S2-E5 PolarHBondContact O-N 2.78Å; S2-E5 WeakPolarHBondContact OG-CG 3.35Å; S2-E5 PolarHBondContact OG-N 2.9Å; S2-E5 VanDerWaalsContact OG-N 3.1Å
6K95.6Very high86.2Confident157 Ų157135.8 Ų135.868%0.68370%0.696SS**Hα-helixtrans-80.5-29.5174.3-66.2-178.9-171.6-1800113M1 S2 T3 Q4M1-K6 HydrophobicContact CB-CG 4.05Å; M1-K6 WeakPolarHBondContact O-CE 3.36Å; S2-K6 WeakPolarHBondContact O-CG 3.47Å; S2-K6 PolarHBondContact O-N 2.98Å; S2-K6 VanDerWaalsContact O-N 3.1Å; T3-K6 PolarHBondContact O-N 2.88Å; Q4-K6 PolarHBondContact O-N 3.46Å
7L95.1Very high85.3Confident140 Ų140135.5 Ų135.573%0.73369%0.694SS**Hα-helixtrans-88.4-38.3-174.7179.763.5000112.6T3 Q4T3-L7 VanDerWaalsContact O-CB 3.26Å; T3-L7 WeakPolarHBondContact O-CB 3.43Å; T3-L7 PolarHBondContact O-N 3.28Å; Q4-L7 PolarHBondContact O-N 2.94Å; Q4-L7 VanDerWaalsContact O-N 3.14Å
8I93.1Very high84.6Confident89 Ų89131 Ų13146%0.45669%0.687SS.*  trans-121.6132.5-168.5-56.3178.8000109.6Q4Q4-I8 HydrophobicContact CG-CD1 4.39Å; Q4-I8 PolarHBondContact O-N 3.21Å
9S91.8Very high84.4Confident104 Ų104125.9 Ų125.973%0.72766%0.663SS**  trans-110133.4167.854.90000109.8
10H85Confident84.7Confident159 Ų159127.4 Ų127.474%0.73666%0.659SS**  trans-85121.6177.6-73.1-80.3000110.3
11V88.2Confident85.2Confident133 Ų133125 Ų12581%0.80665%0.647SS**  trans-96.4-38.8178.7-1790000111.6
12M84.8Confident86.1Confident125 Ų125117 Ų11762%0.61661%0.608SS**  trans-75.2138.1174.6-62.5-164.2-30.700110.6P16M12-P16 HydrophobicContact CE-CB 4.1Å; M12-P16 HydrophobicContact CE-CG 3.92Å
13K79.8Confident86.4Confident212 Ų212114.4 Ų114.492%0.92259%0.589SS**SBendtrans-93.1-17.8176.1-64.4-178.7179.3178.80113.1
14E77.5Confident86.6Confident169 Ų169108.7 Ų108.779%0.7955%0.554SS**SBendtrans-106.5161-177.9-65.2179.5-17700111
15E69.6Low87Confident183 Ų183102.9 Ų102.986%0.85553%0.527SS*.PPolyproline II helixtrans-63.5140.5173.9-75.3-170.516300110.9
16P70.3Confident87.3Confident99 Ų9996.9 Ų96.964%0.64350%0.499SS*.PPolyproline II helixtrans-55.8145.5174.9-20.130000111.6M12 G18M12-P16 HydrophobicContact CE-CB 4.1Å; M12-P16 HydrophobicContact CE-CG 3.92Å; P16-G18 PolarHBondContact O-N 3.42Å
17I70.5Confident87.4Confident131 Ų13189.6 Ų89.667%0.67247%0.468SS*.PPolyproline II helixtrans-56.1117.7168.8-58.9172.2000107.2R20I17-R20 VanDerWaalsContact CD1-NH2 3.34Å
18G72.1Confident87.6Confident54 Ų5482.9 Ų82.956%0.55743%0.433SS*.  trans-59.7174.417900000112.9P16 R20P16-G18 PolarHBondContact O-N 3.42Å; G18-R20 PolarHBondContact O-N 2.72Å
19C81.9Confident87.8Confident34 Ų3480 Ų8023%0.2343%0.426CS..  trans-54.5131.5-175.9-52.40000111.6K22 E47 H75C19-K22 HydrophobicContact CB-CB 4.31Å; C19-E47 HydrophobicContact CB-CB 3.75Å; C19-E47 VanDerWaalsContact SG-CB 3.57Å; C19-E47 PolarHBondContact SG-OE2 2.92Å; C19-H75 PolarHBondContact SG-CE1 3.11Å
20R88.9Confident88.1Confident156 Ų15678.2 Ų78.259%0.58941%0.406SS*.SBendtrans-97.3-31.9-176-65-176.9178.6-178-0.7112I17 G18 D46 K90I17-R20 VanDerWaalsContact CD1-NH2 3.34Å; G18-R20 PolarHBondContact O-N 2.72Å; R20-D46 PolarHBondContact N-OD2 3Å; R20-K90 WeakPolarHBondContact O-CE 3.15Å; R20-K90 VanDerWaalsContact O-CG 3.28Å; R20-K90 WeakPolarHBondContact O-CG 3.35Å
21N95.9Very high88.7Confident77 Ų7772.3 Ų72.341%0.41238%0.382SS..SBendtrans-119.439.5-171.1-70.5-24.6000111.4C45 D46 M264N21-C45 VanDerWaalsContact O-CA 3.24Å; N21-C45 WeakPolarHBondContact O-CA 3.4Å; N21-C45 WeakPolarHBondContact O-CB 3.21Å; N21-D46 WeakPolarHBondContact CA-OD1 3.26Å; N21-D46 PolarHBondContact N-OD1 2.92Å; N21-D46 PolarHBondContact N-OD2 3.46Å; N21-D46 VanDerWaalsContact N-OD2 3.12Å; N21-M264 HydrophobicContact CB-CE 3.46Å; N21-M264 VanDerWaalsContact CB-CE 3.46Å; N21-M264 WeakPolarHBondContact O-CE 3.43Å
22K98.3Very high89.2Confident11 Ų1166 Ų665%0.04834%0.344CS..  trans-66.9135.3-177-179.3176.7176.7162.80111.8C19 D46 E47 V85 A87 S89 K90C19-K22 HydrophobicContact CB-CB 4.31Å; K22-D46 PolarHBondContact N-OD1 2.91Å; K22-E47 CarbonylContact C-O 3.55Å; K22-E47 VanDerWaalsContact CA-O 3.3Å; K22-E47 WeakPolarHBondContact CA-O 3.33Å; K22-E47 HydrophobicContact CB-CB 4.25Å; K22-E47 HydrophobicContact CD-CB 4.46Å; K22-E47 HydrophobicContact CD-CG 4.24Å; K22-E47 WeakPolarHBondContact CD-OE1 3.45Å; K22-E47 WeakPolarHBondContact CE-OE1 3.32Å; K22-E47 HydrophobicContact CG-CB 4.04Å; K22-E47 HydrophobicContact CG-CG 4.15Å; K22-E47 IonicContact NZ-OE1 3.84Å; K22-E47 PolarHBondContact NZ-OE1 3.06Å; K22-V85 WeakPolarHBondContact CE-O 3.47Å; K22-V85 PolarHBondContact NZ-O 3.41Å; K22-A87 WeakPolarHBondContact CD-O 3.49Å; K22-A87 WeakPolarHBondContact CE-O 3.48Å; K22-A87 PolarHBondContact NZ-O 2.64Å; K22-S89 WeakPolarHBondContact CG-OG 3.49Å; K22-K90 PolarHBondContact O-N 3.26Å
23V98.8Very high89.9Confident0 Ų061.1 Ų61.10%032%0.32CS..EExtended strand (participates in β ladder)trans-119.6138.6173.4176.30000109.4I39 C45 E47 L48 A49 V91 V260 M264V23-I39 HydrophobicContact CG1-CD1 4.13Å; V23-I39 HydrophobicContact CG1-CG2 4.38Å; V23-C45 HydrophobicContact CB-CB 3.99Å; V23-C45 HydrophobicContact CG2-CB 3.71Å; V23-E47 PolarHBondContact N-O 3.04Å; V23-L48 HydrophobicContact CB-CD1 4.44Å; V23-L48 HydrophobicContact CG1-CD1 4.39Å; V23-L48 WeakPolarHBondContact O-CA 3.4Å; V23-A49 PolarHBondContact O-N 3.43Å; V23-V91 WeakPolarHBondContact CA-O 3.47Å; V23-V91 HydrophobicContact CG2-CB 4.48Å; V23-V260 HydrophobicContact CG2-CG1 4.32Å; V23-M264 HydrophobicContact CG2-CE 4.24Å; V23-M264 HydrophobicContact CG2-SD 4.28Å
24T98.9Very high90.8Very high0 Ų051.1 Ų51.10%028%0.276CS..EExtended strand (participates in β ladder)trans-113.3138.6172.3-650000110.6V26 A49 V51 T86 S89 V91 V92 V93T24-V26 HydrophobicContact CG2-CG2 3.99Å; T24-A49 CarbonylContact C-O 3.56Å; T24-A49 VanDerWaalsContact CA-O 3.24Å; T24-A49 WeakPolarHBondContact CA-O 3.49Å; T24-V51 HydrophobicContact CG2-CG2 4.45Å; T24-T86 HydrophobicContact CG2-CG2 3.54Å; T24-S89 PolarHBondContact OG1-OG 3.34Å; T24-V91 PolarHBondContact N-O 2.91Å; T24-V92 HydrophobicContact CG2-CG1 4.02Å; T24-V92 CarbonylContact O-C 3.47Å; T24-V92 WeakPolarHBondContact O-CA 3.28Å; T24-V93 PolarHBondContact O-N 3.27Å
25V98.9Very high91.8Very high0 Ų043 Ų430%024%0.239CC..EExtended strand (participates in β ladder)trans-115.6120.9167.4-1780000108.9A36 I39 L48 A49 L50 V51 V93 T95V25-A36 HydrophobicContact CG2-CB 4.34Å; V25-I39 HydrophobicContact CG2-CD1 4.36Å; V25-L48 HydrophobicContact CG2-CD1 4.18Å; V25-A49 PolarHBondContact N-O 3.46Å; V25-L50 HydrophobicContact CB-CD2 3.92Å; V25-V51 PolarHBondContact O-N 2.9Å; V25-V51 VanDerWaalsContact O-N 3.08Å; V25-V93 HydrophobicContact CG2-CB 4.32Å; V25-T95 HydrophobicContact CG1-CG2 4.28Å
26V98.8Very high93.2Very high2 Ų234.3 Ų34.31%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-99.1121.6176.5-174.50000109.2T24 Y83 V92 V93 T95 A96 I120 I124T24-V26 HydrophobicContact CG2-CG2 3.99Å; V26-Y83 HydrophobicContact CG2-CE1 4.37Å; V26-V92 HydrophobicContact CG2-CG1 3.94Å; V26-V93 PolarHBondContact N-O 3.4Å; V26-T95 WeakPolarHBondContact O-CA 3.49Å; V26-T95 PolarHBondContact O-N 3.43Å; V26-T95 PolarHBondContact O-OG1 3.13Å; V26-A96 HydrophobicContact CG1-CB 4.13Å; V26-A96 PolarHBondContact O-N 2.89Å; V26-A96 VanDerWaalsContact O-N 3.11Å; V26-I120 HydrophobicContact CG1-CD1 4.1Å; V26-I120 HydrophobicContact CG1-CG2 3.94Å; V26-I124 HydrophobicContact CG2-CD1 4.1Å
27G98.2Very high94.6Very high3 Ų332.1 Ų32.13%0.03118%0.18CC..  trans94.7121-169.800000111.4G32 V51 D52 T95G27-G32 WeakPolarHBondContact O-CA 3.42Å; G27-V51 PolarHBondContact N-O 2.81Å; G27-D52 VanDerWaalsContact CA-OD2 3.31Å; G27-D52 WeakPolarHBondContact CA-OD2 3.42Å; G27-T95 PolarHBondContact O-OG1 2.87Å
28V98.3Very high95.9Very high0 Ų026.9 Ų26.90%016%0.155CC..  trans-103.634.2173.4-58.50000111.4M33 L50 D52 K57 L58 E61V28-M33 HydrophobicContact CB-CG 4.35Å; V28-M33 HydrophobicContact CB-SD 3.87Å; V28-M33 HydrophobicContact CG1-SD 4.08Å; V28-L50 HydrophobicContact CG1-CB 4.06Å; V28-L50 HydrophobicContact CG1-CD1 4.25Å; V28-D52 HydrophobicContact CB-CB 4.42Å; V28-D52 HydrophobicContact CG1-CB 4.25Å; V28-D52 HydrophobicContact CG2-CB 3.67Å; V28-D52 PolarHBondContact N-OD2 2.99Å; V28-K57 HydrophobicContact CG2-CD 4.17Å; V28-K57 HydrophobicContact CG2-CG 4.12Å; V28-K57 WeakPolarHBondContact O-CE 3.48Å; V28-K57 PolarHBondContact O-NZ 3.2Å; V28-L58 HydrophobicContact CG1-CD1 3.59Å; V28-L58 HydrophobicContact CG2-CD1 4.44Å; V28-E61 HydrophobicContact CB-CG 4.29Å; V28-E61 HydrophobicContact CG2-CG 4.35Å
29G97.3Very high97.2Very high29 Ų2924.3 Ų24.330%0.29913%0.128SC..SBendtrans-71.5-178.2166.700000112V31 G32 M33G29-V31 PolarHBondContact O-N 3.04Å; G29-G32 PolarHBondContact O-N 3.22Å; G29-G32 VanDerWaalsContact O-N 3.11Å; G29-M33 PolarHBondContact O-N 3.09Å
30M97.8Very high98Very high65 Ų6522.7 Ų22.732%0.3212%0.117SC..Hα-helixtrans-57.5-34.9-178.9-53.9-49.7-64.200113.4A34 Y247 S249M30-A34 WeakPolarHBondContact O-CB 3.45Å; M30-A34 PolarHBondContact O-N 2.72Å; M30-A34 VanDerWaalsContact O-N 3.14Å; M30-Y247 HydrophobicContact CB-CD2 3.62Å; M30-Y247 HydrophobicContact CB-CE2 3.93Å; M30-Y247 HydrophobicContact CB-CG 4.35Å; M30-Y247 HydrophobicContact CE-CD2 4.37Å; M30-Y247 HydrophobicContact CE-CE2 3.53Å; M30-Y247 HydrophobicContact CG-CD1 4.42Å; M30-Y247 HydrophobicContact CG-CD2 3.58Å; M30-Y247 HydrophobicContact CG-CE2 3.74Å; M30-Y247 HydrophobicContact CG-CG 3.96Å; M30-Y247 HydrophobicContact SD-CE2 4.39Å; M30-S249 WeakPolarHBondContact O-CB 3.48Å
31V98.3Very high98.4Very high35 Ų3520.7 Ų20.721%0.21212%0.118CC..Hα-helixtrans-73.2-44.3176.6176.70000111.3G29 A34 S35 T95 V136 I252G29-V31 PolarHBondContact O-N 3.04Å; V31-A34 PolarHBondContact O-N 3.19Å; V31-S35 WeakPolarHBondContact O-CB 3.46Å; V31-S35 PolarHBondContact O-N 2.73Å; V31-S35 PolarHBondContact O-OG 3.46Å; V31-T95 HydrophobicContact CG1-CG2 4.06Å; V31-V136 HydrophobicContact CG1-CG1 3.82Å; V31-I252 HydrophobicContact CB-CG2 4.43Å; V31-I252 HydrophobicContact CG1-CG1 4.18Å; V31-I252 HydrophobicContact CG1-CG2 3.92Å; V31-I252 HydrophobicContact CG2-CG2 3.99Å
32G98.6Very high98.6Very high1 Ų120.6 Ų20.61%0.0111%0.114CC..Hα-helixtrans-59.3-50.5177.200000112.3G27 G29 S35 A36 T95G27-G32 WeakPolarHBondContact O-CA 3.42Å; G29-G32 PolarHBondContact O-N 3.22Å; G29-G32 VanDerWaalsContact O-N 3.11Å; G32-S35 WeakPolarHBondContact O-CB 3.24Å; G32-S35 PolarHBondContact O-N 2.78Å; G32-S35 VanDerWaalsContact O-N 3.15Å; G32-A36 WeakPolarHBondContact O-CB 3.29Å; G32-A36 PolarHBondContact O-N 2.86Å; G32-T95 WeakPolarHBondContact CA-OG1 3.28Å
33M98.8Very high98.6Very high23 Ų2323.2 Ų23.211%0.11313%0.128CC..Hα-helixtrans-67.2-38.4179.1-65.1-49.5-59.200112.8V28 G29 S35 A36 I37 L50 E61 L65V28-M33 HydrophobicContact CB-CG 4.35Å; V28-M33 HydrophobicContact CB-SD 3.87Å; V28-M33 HydrophobicContact CG1-SD 4.08Å; G29-M33 PolarHBondContact O-N 3.09Å; M33-S35 VanDerWaalsContact C-N 3.27Å; M33-S35 PolarHBondContact O-N 3.36Å; M33-A36 PolarHBondContact O-N 2.84Å; M33-I37 WeakPolarHBondContact O-CG2 3.43Å; M33-I37 PolarHBondContact O-N 3.48Å; M33-L50 HydrophobicContact SD-CD1 4.35Å; M33-E61 HydrophobicContact CE-CB 3.8Å; M33-E61 HydrophobicContact CE-CG 4.32Å; M33-E61 VanDerWaalsContact CE-OE2 3.28Å; M33-E61 WeakPolarHBondContact CE-OE2 3.44Å; M33-E61 HydrophobicContact CG-CG 4.28Å; M33-E61 HydrophobicContact SD-CB 3.79Å; M33-E61 HydrophobicContact SD-CG 3.98Å; M33-L65 HydrophobicContact CE-CD1 3.74Å; M33-L65 HydrophobicContact CE-CD2 4.41Å; M33-L65 HydrophobicContact CE-CG 4.06Å
34A98.8Very high98.5Very high1 Ų123.6 Ų23.61%0.00813%0.13CC..Hα-helixtrans-62.5-35.5172.600000112.4M30 V31 S38 S249 W250M30-A34 WeakPolarHBondContact O-CB 3.45Å; M30-A34 PolarHBondContact O-N 2.72Å; M30-A34 VanDerWaalsContact O-N 3.14Å; V31-A34 PolarHBondContact O-N 3.19Å; A34-S38 VanDerWaalsContact O-CB 3.32Å; A34-S38 WeakPolarHBondContact O-CB 3.37Å; A34-S38 PolarHBondContact O-N 3.43Å; A34-S38 PolarHBondContact O-OG 3.31Å; A34-S249 VanDerWaalsContact CB-O 3.3Å; A34-S249 WeakPolarHBondContact CB-O 3.24Å; A34-W250 HydrophobicContact CB-CE3 3.91Å; A34-W250 HydrophobicContact CB-CZ3 4.17Å
35S98.9Very high98.5Very high0 Ų024 Ų240%013%0.133CC..Hα-helixtrans-70.4-48.2175.3-55.10000111V31 G32 M33 I37 S38 I39V31-S35 WeakPolarHBondContact O-CB 3.46Å; V31-S35 PolarHBondContact O-N 2.73Å; V31-S35 PolarHBondContact O-OG 3.46Å; G32-S35 WeakPolarHBondContact O-CB 3.24Å; G32-S35 PolarHBondContact O-N 2.78Å; G32-S35 VanDerWaalsContact O-N 3.15Å; M33-S35 VanDerWaalsContact C-N 3.27Å; M33-S35 PolarHBondContact O-N 3.36Å; S35-I37 PolarHBondContact O-N 2.99Å; S35-S38 PolarHBondContact O-N 3.07Å; S35-I39 WeakPolarHBondContact O-CB 3.44Å; S35-I39 WeakPolarHBondContact O-CD1 3.3Å; S35-I39 WeakPolarHBondContact O-CG1 3.42Å; S35-I39 PolarHBondContact O-N 3.27Å
36A98.9Very high98.4Very high0 Ų025.8 Ų25.80%014%0.143CC..Hα-helixtrans-56-52.3179.500000111.9V25 G32 M33 S38 I39 L40 L48 L50V25-A36 HydrophobicContact CG2-CB 4.34Å; G32-A36 WeakPolarHBondContact O-CB 3.29Å; G32-A36 PolarHBondContact O-N 2.86Å; M33-A36 PolarHBondContact O-N 2.84Å; A36-S38 VanDerWaalsContact C-N 3.35Å; A36-S38 PolarHBondContact O-N 3.05Å; A36-I39 PolarHBondContact O-N 2.97Å; A36-L40 VanDerWaalsContact O-CG 3.32Å; A36-L40 WeakPolarHBondContact O-CG 3.47Å; A36-L40 PolarHBondContact O-N 3.49Å; A36-L48 HydrophobicContact CB-CD2 4.04Å; A36-L50 HydrophobicContact CB-CD2 4.09Å
37I98.8Very high98.4Very high53 Ų5326.2 Ų26.227%0.27214%0.144SC..Hα-helixtrans-65.4-37.7179.8-166.160.1000112.2M33 S35 I39 L40 L41 L65M33-I37 WeakPolarHBondContact O-CG2 3.43Å; M33-I37 PolarHBondContact O-N 3.48Å; S35-I37 PolarHBondContact O-N 2.99Å; I37-I39 VanDerWaalsContact C-N 3.32Å; I37-I39 PolarHBondContact O-N 3.48Å; I37-L40 PolarHBondContact O-N 3.04Å; I37-L41 HydrophobicContact CD1-CD1 4.39Å; I37-L41 HydrophobicContact CD1-CG 4.25Å; I37-L41 HydrophobicContact CG1-CD1 3.94Å; I37-L41 HydrophobicContact CG1-CG 4.24Å; I37-L41 WeakPolarHBondContact O-CB 3.35Å; I37-L41 VanDerWaalsContact O-CG 3.29Å; I37-L41 WeakPolarHBondContact O-CG 3.27Å; I37-L41 PolarHBondContact O-N 3.36Å; I37-L65 HydrophobicContact CD1-CD2 3.86Å
38S98.9Very high98.4Very high20 Ų2026 Ų2614%0.1414%0.143CC..Hα-helixtrans-65.5-36.4177.4-58.30000112A34 S35 A36 K42A34-S38 VanDerWaalsContact O-CB 3.32Å; A34-S38 WeakPolarHBondContact O-CB 3.37Å; A34-S38 PolarHBondContact O-N 3.43Å; A34-S38 PolarHBondContact O-OG 3.31Å; S35-S38 PolarHBondContact O-N 3.07Å; A36-S38 VanDerWaalsContact C-N 3.35Å; A36-S38 PolarHBondContact O-N 3.05Å; S38-K42 WeakPolarHBondContact O-CB 3.31Å; S38-K42 WeakPolarHBondContact O-CG 3.43Å; S38-K42 PolarHBondContact O-N 3.02Å
39I98.9Very high98.4Very high0 Ų026 Ų260%014%0.143CC..Hα-helixtrans-67.9-44.6175.9-71.4163.1000110.6V23 V25 S35 A36 I37 K42 D43 L44 V93 V256 A257 V260V23-I39 HydrophobicContact CG1-CD1 4.13Å; V23-I39 HydrophobicContact CG1-CG2 4.38Å; V25-I39 HydrophobicContact CG2-CD1 4.36Å; S35-I39 WeakPolarHBondContact O-CB 3.44Å; S35-I39 WeakPolarHBondContact O-CD1 3.3Å; S35-I39 WeakPolarHBondContact O-CG1 3.42Å; S35-I39 PolarHBondContact O-N 3.27Å; A36-I39 PolarHBondContact O-N 2.97Å; I37-I39 VanDerWaalsContact C-N 3.32Å; I37-I39 PolarHBondContact O-N 3.48Å; I39-K42 PolarHBondContact O-N 3.19Å; I39-D43 PolarHBondContact O-N 3.22Å; I39-L44 HydrophobicContact CG2-CB 4.09Å; I39-L44 PolarHBondContact O-N 3.39Å; I39-V93 HydrophobicContact CD1-CG2 4.37Å; I39-V256 HydrophobicContact CD1-CG1 4.46Å; I39-A257 HydrophobicContact CG1-CB 4.15Å; I39-V260 HydrophobicContact CD1-CG2 4.16Å; I39-V260 HydrophobicContact CG1-CG1 4.44Å; I39-V260 HydrophobicContact CG1-CG2 4.47Å
40L98.8Very high98.5Very high0 Ų024.7 Ų24.70%013%0.129CC..Hα-helixtrans-62.4-48.4177.4-71.3170.6000111.7A36 I37 K42 D43 L48 L65 L72 T74 I77A36-L40 VanDerWaalsContact O-CG 3.32Å; A36-L40 WeakPolarHBondContact O-CG 3.47Å; A36-L40 PolarHBondContact O-N 3.49Å; I37-L40 PolarHBondContact O-N 3.04Å; L40-K42 PolarHBondContact O-N 3.16Å; L40-D43 PolarHBondContact O-N 3.18Å; L40-L48 HydrophobicContact CD1-CD2 3.73Å; L40-L48 HydrophobicContact CD2-CB 4.12Å; L40-L48 HydrophobicContact CD2-CD2 3.93Å; L40-L48 HydrophobicContact CG-CD2 3.84Å; L40-L65 HydrophobicContact CD1-CD1 4.01Å; L40-L65 HydrophobicContact CD1-CD2 3.89Å; L40-L65 HydrophobicContact CD1-CG 4.39Å; L40-L72 HydrophobicContact CB-CD1 4.17Å; L40-L72 HydrophobicContact CB-CD2 4.03Å; L40-L72 HydrophobicContact CD1-CD1 3.95Å; L40-L72 HydrophobicContact CD2-CD1 4.3Å; L40-L72 HydrophobicContact CG-CD1 4.37Å; L40-T74 HydrophobicContact CD2-CG2 3.75Å; L40-T74 WeakPolarHBondContact CD2-OG1 3.31Å; L40-I77 HydrophobicContact CD1-CD1 3.98Å; L40-I77 HydrophobicContact CD2-CD1 4.06Å; L40-I77 HydrophobicContact CD2-CG1 4.35Å
41L98.6Very high98.6Very high114 Ų11421.6 Ų21.660%0.59711%0.114SC*.Hα-helixtrans-68.1-16.8-178.9-69.5175.2000113.8I37 L72I37-L41 HydrophobicContact CD1-CD1 4.39Å; I37-L41 HydrophobicContact CD1-CG 4.25Å; I37-L41 HydrophobicContact CG1-CD1 3.94Å; I37-L41 HydrophobicContact CG1-CG 4.24Å; I37-L41 WeakPolarHBondContact O-CB 3.35Å; I37-L41 VanDerWaalsContact O-CG 3.29Å; I37-L41 WeakPolarHBondContact O-CG 3.27Å; I37-L41 PolarHBondContact O-N 3.36Å; L41-L72 HydrophobicContact CD2-CD2 4Å
42K98.5Very high98.6Very high76 Ų7621.2 Ų21.233%0.3311%0.11SC..THydrogen-bonded Turntrans-96.16.1174-75.217867.990.90113.3S38 I39 L40 L44 A257 E261S38-K42 WeakPolarHBondContact O-CB 3.31Å; S38-K42 WeakPolarHBondContact O-CG 3.43Å; S38-K42 PolarHBondContact O-N 3.02Å; I39-K42 PolarHBondContact O-N 3.19Å; L40-K42 PolarHBondContact O-N 3.16Å; K42-L44 VanDerWaalsContact C-N 3.26Å; K42-L44 HydrophobicContact CB-CD1 3.91Å; K42-L44 HydrophobicContact CB-CD2 4.03Å; K42-L44 HydrophobicContact CB-CG 3.61Å; K42-L44 HydrophobicContact CD-CD1 4.36Å; K42-L44 WeakPolarHBondContact O-CD2 3.28Å; K42-L44 PolarHBondContact O-N 2.98Å; K42-A257 HydrophobicContact CD-CB 3.89Å; K42-E261 VanDerWaalsContact CE-OE2 3.26Å; K42-E261 WeakPolarHBondContact CE-OE2 3.4Å; K42-E261 IonicContact NZ-OE1 3.93Å; K42-E261 IonicContact NZ-OE2 2.72Å; K42-E261 PolarHBondContact NZ-OE2 2.91Å
43D98.3Very high98.5Very high66 Ų6625.8 Ų25.835%0.35314%0.138SC..THydrogen-bonded Turntrans53.838.9-180-55.9-42.9000113I39 L40 K73I39-D43 PolarHBondContact O-N 3.22Å; L40-D43 PolarHBondContact O-N 3.18Å; D43-K73 VanDerWaalsContact OD1-CB 3.32Å; D43-K73 WeakPolarHBondContact OD1-CB 3.45Å; D43-K73 WeakPolarHBondContact OD1-CG 2.89Å; D43-K73 WeakPolarHBondContact OD2-CD 3.49Å; D43-K73 WeakPolarHBondContact OD2-CE 3.29Å; D43-K73 IonicContact OD2-NZ 2.73Å; D43-K73 PolarHBondContact OD2-NZ 2.67Å
44L98.4Very high98.4Very high8 Ų829.9 Ų29.94%0.04216%0.158CC..  trans-86.5-9.7-170.9-60-179.3000114.5I39 K42 A257 V260 E261 M264I39-L44 HydrophobicContact CG2-CB 4.09Å; I39-L44 PolarHBondContact O-N 3.39Å; K42-L44 VanDerWaalsContact C-N 3.26Å; K42-L44 HydrophobicContact CB-CD1 3.91Å; K42-L44 HydrophobicContact CB-CD2 4.03Å; K42-L44 HydrophobicContact CB-CG 3.61Å; K42-L44 HydrophobicContact CD-CD1 4.36Å; K42-L44 WeakPolarHBondContact O-CD2 3.28Å; K42-L44 PolarHBondContact O-N 2.98Å; L44-A257 HydrophobicContact CD1-CB 4.5Å; L44-A257 WeakPolarHBondContact CD1-O 3.45Å; L44-V260 HydrophobicContact CB-CG1 4.34Å; L44-V260 HydrophobicContact CD1-CB 4.18Å; L44-V260 HydrophobicContact CD1-CG1 3.94Å; L44-E261 HydrophobicContact CD1-CB 3.96Å; L44-E261 HydrophobicContact CD2-CB 3.82Å; L44-E261 HydrophobicContact CD2-CG 3.9Å; L44-M264 WeakPolarHBondContact O-CE 3.26Å
45C98Very high98.3Very high8 Ų835.3 Ų35.35%0.05418%0.183CC..  trans-141.2148.7-177.567.70000111.9N21 V23 T74N21-C45 VanDerWaalsContact O-CA 3.24Å; N21-C45 WeakPolarHBondContact O-CA 3.4Å; N21-C45 WeakPolarHBondContact O-CB 3.21Å; V23-C45 HydrophobicContact CB-CB 3.99Å; V23-C45 HydrophobicContact CG2-CB 3.71Å; C45-T74 PolarHBondContact O-OG1 3.15Å
46D97.1Very high98.2Very high38 Ų3842.4 Ų42.420%0.20322%0.221CC..SBendtrans-85.3-35.8168.652.96000110.9R20 N21 K22 T74 H75 K76R20-D46 PolarHBondContact N-OD2 3Å; N21-D46 WeakPolarHBondContact CA-OD1 3.26Å; N21-D46 PolarHBondContact N-OD1 2.92Å; N21-D46 PolarHBondContact N-OD2 3.46Å; N21-D46 VanDerWaalsContact N-OD2 3.12Å; K22-D46 PolarHBondContact N-OD1 2.91Å; D46-T74 VanDerWaalsContact O-CG2 3.24Å; D46-T74 WeakPolarHBondContact O-CG2 3.38Å; D46-H75 PolarHBondContact O-CE1 3.47Å; D46-H75 PolarHBondContact O-N 2.86Å; D46-H75 PolarHBondContact O-ND1 3.31Å; D46-K76 PolarHBondContact O-N 3.27Å
47E98.2Very high98.2Very high10 Ų1045.7 Ų45.75%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-124.5132.1170.8-178.3173.5127.500111.8C19 K22 V23 K76 V78C19-E47 HydrophobicContact CB-CB 3.75Å; C19-E47 VanDerWaalsContact SG-CB 3.57Å; C19-E47 PolarHBondContact SG-OE2 2.92Å; K22-E47 CarbonylContact C-O 3.55Å; K22-E47 VanDerWaalsContact CA-O 3.3Å; K22-E47 WeakPolarHBondContact CA-O 3.33Å; K22-E47 HydrophobicContact CB-CB 4.25Å; K22-E47 HydrophobicContact CD-CB 4.46Å; K22-E47 HydrophobicContact CD-CG 4.24Å; K22-E47 WeakPolarHBondContact CD-OE1 3.45Å; K22-E47 WeakPolarHBondContact CE-OE1 3.32Å; K22-E47 HydrophobicContact CG-CB 4.04Å; K22-E47 HydrophobicContact CG-CG 4.15Å; K22-E47 IonicContact NZ-OE1 3.84Å; K22-E47 PolarHBondContact NZ-OE1 3.06Å; V23-E47 PolarHBondContact N-O 3.04Å; E47-K76 VanDerWaalsContact CA-O 3.3Å; E47-K76 WeakPolarHBondContact CA-O 3.33Å; E47-K76 HydrophobicContact CB-CB 4.44Å; E47-K76 HydrophobicContact CG-CB 4.22Å; E47-K76 HydrophobicContact CG-CD 4.42Å; E47-K76 HydrophobicContact CG-CG 4.13Å; E47-K76 IonicContact OE1-NZ 2.77Å; E47-K76 VanDerWaalsContact OE2-CD 3.25Å; E47-K76 WeakPolarHBondContact OE2-CD 3.21Å; E47-K76 VanDerWaalsContact OE2-CE 3.32Å; E47-K76 WeakPolarHBondContact OE2-CE 3.42Å; E47-K76 IonicContact OE2-NZ 2.99Å; E47-K76 PolarHBondContact OE2-NZ 3.32Å; E47-V78 HydrophobicContact CG-CG2 4.36Å
48L98.8Very high98.2Very high0 Ų043.4 Ų43.40%022%0.224CC..EExtended strand (participates in β ladder)trans-106.8127.4168.4-177.372.2000109.6V23 V25 A36 L40 L50 L65 T74 K76 I77 V78V23-L48 HydrophobicContact CB-CD1 4.44Å; V23-L48 HydrophobicContact CG1-CD1 4.39Å; V23-L48 WeakPolarHBondContact O-CA 3.4Å; V25-L48 HydrophobicContact CG2-CD1 4.18Å; A36-L48 HydrophobicContact CB-CD2 4.04Å; L40-L48 HydrophobicContact CD1-CD2 3.73Å; L40-L48 HydrophobicContact CD2-CB 4.12Å; L40-L48 HydrophobicContact CD2-CD2 3.93Å; L40-L48 HydrophobicContact CG-CD2 3.84Å; L48-L50 HydrophobicContact CD2-CD2 4.14Å; L48-L50 HydrophobicContact CG-CD2 4.3Å; L48-L65 HydrophobicContact CD2-CD1 4.27Å; L48-T74 HydrophobicContact CB-CG2 4.47Å; L48-K76 PolarHBondContact N-O 3.15Å; L48-I77 HydrophobicContact CB-CG1 4.45Å; L48-I77 HydrophobicContact CD2-CG2 4.46Å; L48-I77 WeakPolarHBondContact O-CA 3.41Å; L48-V78 PolarHBondContact O-N 3.38Å
49A98.8Very high98.2Very high0 Ų049 Ų490%025%0.246CC..EExtended strand (participates in β ladder)trans-112.7131.2171.400000111.3V23 T24 V25 V78V23-A49 PolarHBondContact O-N 3.43Å; T24-A49 CarbonylContact C-O 3.56Å; T24-A49 VanDerWaalsContact CA-O 3.24Å; T24-A49 WeakPolarHBondContact CA-O 3.49Å; V25-A49 PolarHBondContact N-O 3.46Å; A49-V78 CarbonylContact C-O 3.56Å; A49-V78 WeakPolarHBondContact CA-O 3.24Å; A49-V78 HydrophobicContact CB-CG2 3.88Å
50L98.9Very high98.2Very high0 Ų050.8 Ų50.80%026%0.264CS..EExtended strand (participates in β ladder)trans-108138.5173.9-57.4-179.8000110.2V25 V28 M33 A36 L48 L58 L65 V78 A79 D80V25-L50 HydrophobicContact CB-CD2 3.92Å; V28-L50 HydrophobicContact CG1-CB 4.06Å; V28-L50 HydrophobicContact CG1-CD1 4.25Å; M33-L50 HydrophobicContact SD-CD1 4.35Å; A36-L50 HydrophobicContact CB-CD2 4.09Å; L48-L50 HydrophobicContact CD2-CD2 4.14Å; L48-L50 HydrophobicContact CG-CD2 4.3Å; L50-L58 HydrophobicContact CB-CD1 3.72Å; L50-L65 HydrophobicContact CD1-CD1 3.99Å; L50-V78 PolarHBondContact N-O 3.47Å; L50-A79 HydrophobicContact CB-CB 3.94Å; L50-A79 VanDerWaalsContact O-CA 3.28Å; L50-A79 WeakPolarHBondContact O-CA 3.36Å; L50-D80 PolarHBondContact O-N 2.93Å
51V98.8Very high98.2Very high1 Ų153 Ų531%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-133130.4174.9178.60000110T24 V25 G27 D80 Y83 V85 T86T24-V51 HydrophobicContact CG2-CG2 4.45Å; V25-V51 PolarHBondContact O-N 2.9Å; V25-V51 VanDerWaalsContact O-N 3.08Å; G27-V51 PolarHBondContact N-O 2.81Å; V51-D80 WeakPolarHBondContact CA-O 3.41Å; V51-Y83 HydrophobicContact CG1-CD1 4.48Å; V51-Y83 HydrophobicContact CG1-CD2 4.19Å; V51-Y83 HydrophobicContact CG1-CE1 4.1Å; V51-Y83 HydrophobicContact CG1-CE2 3.78Å; V51-V85 HydrophobicContact CG2-CG1 3.61Å; V51-T86 HydrophobicContact CG2-CG2 3.32Å
52D98.4Very high98.2Very high26 Ų2647.9 Ų47.914%0.13925%0.248CC..  trans-153.6161.4171.1-157.5-68.5000109.9G27 V28 M54 L58G27-D52 VanDerWaalsContact CA-OD2 3.31Å; G27-D52 WeakPolarHBondContact CA-OD2 3.42Å; V28-D52 HydrophobicContact CB-CB 4.42Å; V28-D52 HydrophobicContact CG1-CB 4.25Å; V28-D52 HydrophobicContact CG2-CB 3.67Å; V28-D52 PolarHBondContact N-OD2 2.99Å; D52-M54 PolarHBondContact OD1-N 3.02Å; D52-L58 HydrophobicContact CB-CB 4.35Å; D52-L58 HydrophobicContact CB-CD1 4.15Å
53V96.8Very high98.2Very high98 Ų9848.1 Ų48.159%0.59425%0.252SS*.SBendtrans-81.8-19.3174.9-62.70000112.4E55V53-E55 PolarHBondContact O-N 3.26Å
54M96.6Very high98.2Very high109 Ų10950.3 Ų50.354%0.53726%0.263SS..  trans-84.384.7178.7-62.5-176.167.200111.2D52 D56 K57 L58D52-M54 PolarHBondContact OD1-N 3.02Å; M54-D56 PolarHBondContact O-N 2.82Å; M54-K57 HydrophobicContact CB-CB 3.98Å; M54-K57 HydrophobicContact CE-CB 4.38Å; M54-K57 HydrophobicContact CE-CD 4.25Å; M54-K57 PolarHBondContact O-N 2.85Å; M54-K57 HydrophobicContact SD-CD 4.33Å; M54-L58 VanDerWaalsContact O-CB 3.31Å; M54-L58 WeakPolarHBondContact O-CB 3.4Å; M54-L58 PolarHBondContact O-N 3.47Å
55E96.6Very high98.2Very high115 Ų11550.7 Ų50.754%0.53727%0.265SS..Hα-helixtrans-54-50.1-170.7-68.2173.9-149.600114.5V53 K57 L58 K59 K81V53-E55 PolarHBondContact O-N 3.26Å; E55-K57 PolarHBondContact O-N 3.15Å; E55-L58 PolarHBondContact O-N 2.99Å; E55-K59 WeakPolarHBondContact O-CB 3.34Å; E55-K59 PolarHBondContact O-N 3.12Å; E55-K81 HydrophobicContact CG-CB 4.41Å; E55-K81 HydrophobicContact CG-CD 3.87Å; E55-K81 WeakPolarHBondContact OE1-CD 3.43Å; E55-K81 IonicContact OE1-NZ 3.81Å; E55-K81 PolarHBondContact OE1-NZ 3.36Å
56D98Very high98.2Very high149 Ų14954.5 Ų54.580%0.79728%0.282SS*.Hα-helixtrans-63.2-43-179.5-72-23.8000112M54 K59 G60M54-D56 PolarHBondContact O-N 2.82Å; D56-K59 PolarHBondContact O-N 3.4Å; D56-G60 PolarHBondContact O-N 3.31Å
57K98.4Very high98.3Very high69 Ų6959.1 Ų59.130%0.330%0.302SS..Hα-helixtrans-64.4-47.7177.3-173.6179.5-178.4-168.10110.3V28 M54 E55 K59 G60 E61V28-K57 HydrophobicContact CG2-CD 4.17Å; V28-K57 HydrophobicContact CG2-CG 4.12Å; V28-K57 WeakPolarHBondContact O-CE 3.48Å; V28-K57 PolarHBondContact O-NZ 3.2Å; M54-K57 HydrophobicContact CB-CB 3.98Å; M54-K57 HydrophobicContact CE-CB 4.38Å; M54-K57 HydrophobicContact CE-CD 4.25Å; M54-K57 PolarHBondContact O-N 2.85Å; M54-K57 HydrophobicContact SD-CD 4.33Å; E55-K57 PolarHBondContact O-N 3.15Å; K57-K59 VanDerWaalsContact C-N 3.31Å; K57-K59 PolarHBondContact O-N 2.96Å; K57-G60 PolarHBondContact O-N 3.05Å; K57-E61 VanDerWaalsContact CE-OE1 3.31Å; K57-E61 WeakPolarHBondContact CE-OE1 3.38Å; K57-E61 HydrophobicContact CG-CG 4.08Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 3.24Å
58L98.7Very high98.3Very high5 Ų559.7 Ų59.73%0.02631%0.311CS..Hα-helixtrans-55.8-46.5178.7179.262.6000111.8V28 L50 D52 M54 E55 A62 A79 D80V28-L58 HydrophobicContact CG1-CD1 3.59Å; V28-L58 HydrophobicContact CG2-CD1 4.44Å; L50-L58 HydrophobicContact CB-CD1 3.72Å; D52-L58 HydrophobicContact CB-CB 4.35Å; D52-L58 HydrophobicContact CB-CD1 4.15Å; M54-L58 VanDerWaalsContact O-CB 3.31Å; M54-L58 WeakPolarHBondContact O-CB 3.4Å; M54-L58 PolarHBondContact O-N 3.47Å; E55-L58 PolarHBondContact O-N 2.99Å; L58-A62 WeakPolarHBondContact O-CB 3.41Å; L58-A62 PolarHBondContact O-N 3.44Å; L58-A79 HydrophobicContact CD1-CB 3.78Å; L58-A79 HydrophobicContact CD2-CB 4.47Å; L58-A79 HydrophobicContact CG-CB 3.87Å; L58-D80 WeakPolarHBondContact CD2-O 3.46Å
59K98.4Very high98.1Very high137 Ų13761.8 Ų61.860%0.59633%0.329SS*.Hα-helixtrans-63.8-44.7176.7-174.1179.3-179.9-178.90111.8E55 D56 K57 A62 M63E55-K59 WeakPolarHBondContact O-CB 3.34Å; E55-K59 PolarHBondContact O-N 3.12Å; D56-K59 PolarHBondContact O-N 3.4Å; K57-K59 VanDerWaalsContact C-N 3.31Å; K57-K59 PolarHBondContact O-N 2.96Å; K59-A62 PolarHBondContact O-N 3.13Å; K59-M63 HydrophobicContact CG-CG 4.48Å; K59-M63 HydrophobicContact CG-SD 4.01Å; K59-M63 WeakPolarHBondContact O-CB 3.34Å; K59-M63 VanDerWaalsContact O-CG 3.28Å; K59-M63 WeakPolarHBondContact O-CG 3.31Å; K59-M63 PolarHBondContact O-N 3.31Å
60G98.7Very high98Very high38 Ų3869 Ų6939%0.39237%0.367SS..Hα-helixtrans-59.7-49.8177.900000112.7D56 K57 A62 M63 D64D56-G60 PolarHBondContact O-N 3.31Å; K57-G60 PolarHBondContact O-N 3.05Å; G60-A62 VanDerWaalsContact C-N 3.33Å; G60-A62 PolarHBondContact O-N 3.42Å; G60-M63 PolarHBondContact O-N 2.94Å; G60-D64 PolarHBondContact O-N 3.19Å
61E98.8Very high98Very high47 Ų4777.1 Ų77.122%0.2240%0.402CS..Hα-helixtrans-62.1-40.4178.9-64.3-74.4-172.300111.7V28 M33 K57 L65V28-E61 HydrophobicContact CB-CG 4.29Å; V28-E61 HydrophobicContact CG2-CG 4.35Å; M33-E61 HydrophobicContact CE-CB 3.8Å; M33-E61 HydrophobicContact CE-CG 4.32Å; M33-E61 VanDerWaalsContact CE-OE2 3.28Å; M33-E61 WeakPolarHBondContact CE-OE2 3.44Å; M33-E61 HydrophobicContact CG-CG 4.28Å; M33-E61 HydrophobicContact SD-CB 3.79Å; M33-E61 HydrophobicContact SD-CG 3.98Å; K57-E61 VanDerWaalsContact CE-OE1 3.31Å; K57-E61 WeakPolarHBondContact CE-OE1 3.38Å; K57-E61 HydrophobicContact CG-CG 4.08Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 3.24Å; E61-L65 WeakPolarHBondContact O-CG 3.35Å; E61-L65 PolarHBondContact O-N 3.26Å
62A98.6Very high97.9Very high5 Ų578.3 Ų78.34%0.04141%0.408CS..Hα-helixtrans-66.1-44.4176.800000112.4L58 K59 G60 D64 L65 Q66 A79L58-A62 WeakPolarHBondContact O-CB 3.41Å; L58-A62 PolarHBondContact O-N 3.44Å; K59-A62 PolarHBondContact O-N 3.13Å; G60-A62 VanDerWaalsContact C-N 3.33Å; G60-A62 PolarHBondContact O-N 3.42Å; A62-D64 VanDerWaalsContact C-N 3.34Å; A62-D64 PolarHBondContact O-N 3.4Å; A62-L65 PolarHBondContact O-N 2.9Å; A62-Q66 WeakPolarHBondContact O-CB 3.46Å; A62-Q66 WeakPolarHBondContact O-CG 3.16Å; A62-Q66 PolarHBondContact O-N 3.15Å; A62-A79 HydrophobicContact CB-CB 3.42Å; A62-A79 VanDerWaalsContact CB-CB 3.42Å
63M98.6Very high97.9Very high82 Ų8284.7 Ų84.740%0.40444%0.435SS..Hα-helixtrans-62.8-40.8177.6-75177.961.600111.7K59 G60 Q66 H67K59-M63 HydrophobicContact CG-CG 4.48Å; K59-M63 HydrophobicContact CG-SD 4.01Å; K59-M63 WeakPolarHBondContact O-CB 3.34Å; K59-M63 VanDerWaalsContact O-CG 3.28Å; K59-M63 WeakPolarHBondContact O-CG 3.31Å; K59-M63 PolarHBondContact O-N 3.31Å; G60-M63 PolarHBondContact O-N 2.94Å; M63-Q66 WeakPolarHBondContact O-CB 3.47Å; M63-Q66 PolarHBondContact O-N 2.86Å; M63-H67 PolarHBondContact O-CD2 3.18Å; M63-H67 VanDerWaalsContact O-CG 3.23Å; M63-H67 PolarHBondContact O-N 2.82Å
64D98.8Very high97.9Very high112 Ų11280.3 Ų80.360%0.59941%0.408SS*.Hα-helixtrans-63.4-44.7179-162.322.2000111.5G60 A62 Q66 H67 G68G60-D64 PolarHBondContact O-N 3.19Å; A62-D64 VanDerWaalsContact C-N 3.34Å; A62-D64 PolarHBondContact O-N 3.4Å; D64-Q66 VanDerWaalsContact C-N 3.34Å; D64-Q66 PolarHBondContact O-N 2.81Å; D64-H67 PolarHBondContact O-N 2.88Å; D64-G68 PolarHBondContact O-N 2.95Å
65L98.6Very high97.6Very high16 Ų1681.1 Ų81.18%0.08441%0.41CS..Hα-helixtrans-62.5-38.7172.7-68178.5000112.7M33 I37 L40 L48 L50 E61 A62 G68 A69 I77M33-L65 HydrophobicContact CE-CD1 3.74Å; M33-L65 HydrophobicContact CE-CD2 4.41Å; M33-L65 HydrophobicContact CE-CG 4.06Å; I37-L65 HydrophobicContact CD1-CD2 3.86Å; L40-L65 HydrophobicContact CD1-CD1 4.01Å; L40-L65 HydrophobicContact CD1-CD2 3.89Å; L40-L65 HydrophobicContact CD1-CG 4.39Å; L48-L65 HydrophobicContact CD2-CD1 4.27Å; L50-L65 HydrophobicContact CD1-CD1 3.99Å; E61-L65 WeakPolarHBondContact O-CG 3.35Å; E61-L65 PolarHBondContact O-N 3.26Å; A62-L65 PolarHBondContact O-N 2.9Å; L65-G68 CarbonylContact O-C 3.59Å; L65-G68 WeakPolarHBondContact O-CA 3.48Å; L65-G68 PolarHBondContact O-N 2.98Å; L65-G68 VanDerWaalsContact O-N 3.16Å; L65-A69 PolarHBondContact O-N 3.06Å; L65-I77 HydrophobicContact CB-CD1 3.94Å; L65-I77 HydrophobicContact CB-CG2 4.33Å; L65-I77 HydrophobicContact CD1-CG2 4.47Å
66Q98.6Very high97.6Very high87 Ų8779.8 Ų79.841%0.40740%0.403SS..Hα-helixtrans-66.9-36.2177.1-74.6168.4-11.800112.6A62 M63 D64 G68 A69 I77A62-Q66 WeakPolarHBondContact O-CB 3.46Å; A62-Q66 WeakPolarHBondContact O-CG 3.16Å; A62-Q66 PolarHBondContact O-N 3.15Å; M63-Q66 WeakPolarHBondContact O-CB 3.47Å; M63-Q66 PolarHBondContact O-N 2.86Å; D64-Q66 VanDerWaalsContact C-N 3.34Å; D64-Q66 PolarHBondContact O-N 2.81Å; Q66-G68 PolarHBondContact O-N 3.24Å; Q66-A69 WeakPolarHBondContact O-CB 3.19Å; Q66-A69 PolarHBondContact O-N 2.99Å; Q66-I77 HydrophobicContact CG-CB 4.1Å; Q66-I77 HydrophobicContact CG-CG2 4.46Å; Q66-I77 PolarHBondContact NE2-O 3.13Å
67H98.4Very high97.6Very high135 Ų13573.2 Ų73.263%0.62537%0.367SS*.Hα-helixtrans-61.2-30.6172.4-64.7161.3000111.6M63 D64 A69M63-H67 PolarHBondContact O-CD2 3.18Å; M63-H67 VanDerWaalsContact O-CG 3.23Å; M63-H67 PolarHBondContact O-N 2.82Å; D64-H67 PolarHBondContact O-N 2.88Å; H67-A69 VanDerWaalsContact C-N 3.3Å; H67-A69 PolarHBondContact O-N 2.96Å
68G97.6Very high97.6Very high22 Ų2271.4 Ų71.423%0.22736%0.362CS..THydrogen-bonded Turntrans-78.3-2.7172.800000115.4D64 L65 Q66 L70 F71D64-G68 PolarHBondContact O-N 2.95Å; L65-G68 CarbonylContact O-C 3.59Å; L65-G68 WeakPolarHBondContact O-CA 3.48Å; L65-G68 PolarHBondContact O-N 2.98Å; L65-G68 VanDerWaalsContact O-N 3.16Å; Q66-G68 PolarHBondContact O-N 3.24Å; G68-L70 PolarHBondContact O-N 2.83Å; G68-F71 PolarHBondContact O-N 2.77Å
69A94.7Very high97.6Very high45 Ų4572.7 Ų72.737%0.37237%0.374SS..G310 helixtrans-57.6-29.1-170.600000114.1L65 Q66 H67 F71 L72L65-A69 PolarHBondContact O-N 3.06Å; Q66-A69 WeakPolarHBondContact O-CB 3.19Å; Q66-A69 PolarHBondContact O-N 2.99Å; H67-A69 VanDerWaalsContact C-N 3.3Å; H67-A69 PolarHBondContact O-N 2.96Å; A69-F71 PolarHBondContact O-N 3.12Å; A69-L72 PolarHBondContact O-N 2.87Å
70L97.8Very high97.6Very high152 Ų15270.1 Ų70.180%0.79637%0.366SS*.G310 helixtrans-59.2-29.9175-178.163.6000112.9G68G68-L70 PolarHBondContact O-N 2.83Å
71F98.2Very high97.6Very high169 Ų16972.8 Ų72.874%0.74137%0.367SS*.G310 helixtrans-95.23.3-176.7-48.6-63.9000112.8G68 A69G68-F71 PolarHBondContact O-N 2.77Å; A69-F71 PolarHBondContact O-N 3.12Å
72L97.7Very high97.5Very high26 Ų2674.3 Ų74.314%0.13638%0.377CS..  trans-118.2158.6-176.3-59.6177.2000110.6L40 L41 A69 I77L40-L72 HydrophobicContact CB-CD1 4.17Å; L40-L72 HydrophobicContact CB-CD2 4.03Å; L40-L72 HydrophobicContact CD1-CD1 3.95Å; L40-L72 HydrophobicContact CD2-CD1 4.3Å; L40-L72 HydrophobicContact CG-CD1 4.37Å; L41-L72 HydrophobicContact CD2-CD2 4Å; A69-L72 PolarHBondContact O-N 2.87Å; L72-I77 HydrophobicContact CD1-CD1 4.08Å
73K96.8Very high97.5Very high161 Ų16174.7 Ų74.770%0.738%0.377SS*.SBendtrans-101.6-5173-54.9-173.4-164.9143.60113.9D43 H75D43-K73 VanDerWaalsContact OD1-CB 3.32Å; D43-K73 WeakPolarHBondContact OD1-CB 3.45Å; D43-K73 WeakPolarHBondContact OD1-CG 2.89Å; D43-K73 WeakPolarHBondContact OD2-CD 3.49Å; D43-K73 WeakPolarHBondContact OD2-CE 3.29Å; D43-K73 IonicContact OD2-NZ 2.73Å; D43-K73 PolarHBondContact OD2-NZ 2.67Å; K73-H75 PolarHBondContact O-N 2.92Å
74T96.9Very high97.5Very high5 Ų573.6 Ų73.63%0.03138%0.377CS..  trans-74.4117.4173.1-60.60000109.3L40 C45 D46 L48 K76 I77L40-T74 HydrophobicContact CD2-CG2 3.75Å; L40-T74 WeakPolarHBondContact CD2-OG1 3.31Å; C45-T74 PolarHBondContact O-OG1 3.15Å; D46-T74 VanDerWaalsContact O-CG2 3.24Å; D46-T74 WeakPolarHBondContact O-CG2 3.38Å; L48-T74 HydrophobicContact CB-CG2 4.47Å; T74-K76 VanDerWaalsContact C-N 3.32Å; T74-K76 PolarHBondContact O-N 3.02Å; T74-I77 HydrophobicContact CG2-CG1 4.38Å
75H91.8Very high97.5Very high126 Ų12669.5 Ų69.558%0.58336%0.356SS*.SBendtrans-73.2-23.7-172.879.1-77.5000113.7C19 D46 K73C19-H75 PolarHBondContact SG-CE1 3.11Å; D46-H75 PolarHBondContact O-CE1 3.47Å; D46-H75 PolarHBondContact O-N 2.86Å; D46-H75 PolarHBondContact O-ND1 3.31Å; K73-H75 PolarHBondContact O-N 2.92Å
76K96.3Very high97.5Very high87 Ų8768.7 Ų68.738%0.37835%0.352SS..EExtended strand (participates in β ladder)trans-143.4127.3-172.5-175.8167166.7-144.50112.3D46 E47 L48 T74 V78D46-K76 PolarHBondContact O-N 3.27Å; E47-K76 VanDerWaalsContact CA-O 3.3Å; E47-K76 WeakPolarHBondContact CA-O 3.33Å; E47-K76 HydrophobicContact CB-CB 4.44Å; E47-K76 HydrophobicContact CG-CB 4.22Å; E47-K76 HydrophobicContact CG-CD 4.42Å; E47-K76 HydrophobicContact CG-CG 4.13Å; E47-K76 IonicContact OE1-NZ 2.77Å; E47-K76 VanDerWaalsContact OE2-CD 3.25Å; E47-K76 WeakPolarHBondContact OE2-CD 3.21Å; E47-K76 VanDerWaalsContact OE2-CE 3.32Å; E47-K76 WeakPolarHBondContact OE2-CE 3.42Å; E47-K76 IonicContact OE2-NZ 2.99Å; E47-K76 PolarHBondContact OE2-NZ 3.32Å; L48-K76 PolarHBondContact N-O 3.15Å; T74-K76 VanDerWaalsContact C-N 3.32Å; T74-K76 PolarHBondContact O-N 3.02Å; K76-V78 HydrophobicContact CD-CG1 4.36Å; K76-V78 HydrophobicContact CG-CG1 3.9Å
77I98.4Very high97.4Very high11 Ų1165.9 Ų65.96%0.05634%0.344CS..EExtended strand (participates in β ladder)trans-123120.3173.7-56.6177.5000106.5L40 L48 L65 Q66 L72 T74L40-I77 HydrophobicContact CD1-CD1 3.98Å; L40-I77 HydrophobicContact CD2-CD1 4.06Å; L40-I77 HydrophobicContact CD2-CG1 4.35Å; L48-I77 HydrophobicContact CB-CG1 4.45Å; L48-I77 HydrophobicContact CD2-CG2 4.46Å; L48-I77 WeakPolarHBondContact O-CA 3.41Å; L65-I77 HydrophobicContact CB-CD1 3.94Å; L65-I77 HydrophobicContact CB-CG2 4.33Å; L65-I77 HydrophobicContact CD1-CG2 4.47Å; Q66-I77 HydrophobicContact CG-CB 4.1Å; Q66-I77 HydrophobicContact CG-CG2 4.46Å; Q66-I77 PolarHBondContact NE2-O 3.13Å; L72-I77 HydrophobicContact CD1-CD1 4.08Å; T74-I77 HydrophobicContact CG2-CG1 4.38Å
78V98.3Very high97.4Very high32 Ų3265.1 Ų65.119%0.19434%0.344CS..EExtended strand (participates in β ladder)trans-126.9153.6-178.8-69.60000110.3E47 L48 A49 L50 K76 V85E47-V78 HydrophobicContact CG-CG2 4.36Å; L48-V78 PolarHBondContact O-N 3.38Å; A49-V78 CarbonylContact C-O 3.56Å; A49-V78 WeakPolarHBondContact CA-O 3.24Å; A49-V78 HydrophobicContact CB-CG2 3.88Å; L50-V78 PolarHBondContact N-O 3.47Å; K76-V78 HydrophobicContact CD-CG1 4.36Å; K76-V78 HydrophobicContact CG-CG1 3.9Å; V78-V85 HydrophobicContact CB-CG2 3.89Å; V78-V85 HydrophobicContact CG2-CG2 3.6Å
79A98.5Very high97.4Very high32 Ų3264.2 Ų64.226%0.26433%0.334SS..EExtended strand (participates in β ladder)trans-148.8133.717800000110.3L50 L58 A62L50-A79 HydrophobicContact CB-CB 3.94Å; L50-A79 VanDerWaalsContact O-CA 3.28Å; L50-A79 WeakPolarHBondContact O-CA 3.36Å; L58-A79 HydrophobicContact CD1-CB 3.78Å; L58-A79 HydrophobicContact CD2-CB 4.47Å; L58-A79 HydrophobicContact CG-CB 3.87Å; A62-A79 HydrophobicContact CB-CB 3.42Å; A62-A79 VanDerWaalsContact CB-CB 3.42Å
80D98.3Very high97.6Very high82 Ų8266.7 Ų66.744%0.43934%0.337SS..  trans-155.3154.2174.9-153.7-57000109.6L50 V51 L58 D82 V85L50-D80 PolarHBondContact O-N 2.93Å; V51-D80 WeakPolarHBondContact CA-O 3.41Å; L58-D80 WeakPolarHBondContact CD2-O 3.46Å; D80-D82 VanDerWaalsContact C-N 3.32Å; D80-D82 PolarHBondContact OD1-N 3.19Å; D80-V85 HydrophobicContact CB-CB 3.72Å; D80-V85 HydrophobicContact CB-CG1 3.84Å; D80-V85 HydrophobicContact CB-CG2 4.04Å
81K97.6Very high97.7Very high95 Ų9559.4 Ų59.441%0.41330%0.299SS..SBendtrans-74-28.9170.3179.3179.8-179.5-173.10111.2E55E55-K81 HydrophobicContact CG-CB 4.41Å; E55-K81 HydrophobicContact CG-CD 3.87Å; E55-K81 WeakPolarHBondContact OE1-CD 3.43Å; E55-K81 IonicContact OE1-NZ 3.81Å; E55-K81 PolarHBondContact OE1-NZ 3.36Å
82D98Very high97.7Very high78 Ų7851.4 Ų51.442%0.41726%0.263SS..SBendtrans-75.4126.9175.2-168.2-59.3000110.9D80 S84 V85D80-D82 VanDerWaalsContact C-N 3.32Å; D80-D82 PolarHBondContact OD1-N 3.19Å; D82-S84 PolarHBondContact O-N 3.31Å; D82-S84 VanDerWaalsContact O-N 3.11Å; D82-S84 WeakPolarHBondContact OD1-CB 3.26Å; D82-S84 PolarHBondContact OD1-N 3.19Å; D82-S84 PolarHBondContact OD1-OG 3.22Å; D82-V85 VanDerWaalsContact O-CG1 3.24Å; D82-V85 WeakPolarHBondContact O-CG1 3.45Å; D82-V85 PolarHBondContact O-N 3.38Å
83Y98.5Very high97.8Very high14 Ų1450.1 Ų50.16%0.05526%0.257CS..G310 helixtrans-67.3-10.9-177.2-80.3-102.9000114.3V26 V51 V85 T86 F119 I120 N123 I124 Y127V26-Y83 HydrophobicContact CG2-CE1 4.37Å; V51-Y83 HydrophobicContact CG1-CD1 4.48Å; V51-Y83 HydrophobicContact CG1-CD2 4.19Å; V51-Y83 HydrophobicContact CG1-CE1 4.1Å; V51-Y83 HydrophobicContact CG1-CE2 3.78Å; Y83-V85 PolarHBondContact O-N 2.48Å; Y83-T86 HydrophobicContact CD1-CG2 4.25Å; Y83-T86 WeakPolarHBondContact O-CA 3.22Å; Y83-T86 VanDerWaalsContact O-CB 3.29Å; Y83-T86 WeakPolarHBondContact O-CB 3.42Å; Y83-T86 WeakPolarHBondContact O-CG2 3.23Å; Y83-T86 PolarHBondContact O-N 3.28Å; Y83-T86 PolarHBondContact O-OG1 2.82Å; Y83-F119 AromaticContact CE2-CE1 3.93Å; Y83-F119 HydrophobicContact CE2-CE1 3.93Å; Y83-I120 HydrophobicContact CE1-CG2 4.2Å; Y83-I120 WeakPolarHBondContact OH-CG1 3.19Å; Y83-N123 HydrophobicContact CD1-CB 3.78Å; Y83-N123 HydrophobicContact CD2-CB 3.88Å; Y83-N123 HydrophobicContact CE1-CB 4.34Å; Y83-N123 HydrophobicContact CE2-CB 4.44Å; Y83-N123 HydrophobicContact CG-CB 3.53Å; Y83-I124 HydrophobicContact CD1-CG1 3.92Å; Y83-I124 HydrophobicContact CE1-CD1 4.43Å; Y83-I124 HydrophobicContact CE1-CG1 3.75Å; Y83-Y127 VanDerWaalsContact O-CD2 3.31Å; Y83-Y127 WeakPolarHBondContact O-CD2 3.23Å
84S98.2Very high97.9Very high58 Ų5842.5 Ų42.541%0.40622%0.224SC..G310 helixtrans-57.8-28.2171.357.90000112.4D82 T86 A87D82-S84 PolarHBondContact O-N 3.31Å; D82-S84 VanDerWaalsContact O-N 3.11Å; D82-S84 WeakPolarHBondContact OD1-CB 3.26Å; D82-S84 PolarHBondContact OD1-N 3.19Å; D82-S84 PolarHBondContact OD1-OG 3.22Å; S84-T86 PolarHBondContact O-N 2.99Å; S84-T86 VanDerWaalsContact O-N 3.11Å; S84-A87 WeakPolarHBondContact O-CB 3.43Å; S84-A87 PolarHBondContact O-N 3.25Å; S84-A87 VanDerWaalsContact O-N 3.09Å
85V98Very high97.9Very high26 Ų2643.2 Ų43.216%0.15823%0.228CC..G310 helixtrans-60.3-20.9172.179.60000112.5K22 V51 V78 D80 D82 Y83 A87K22-V85 WeakPolarHBondContact CE-O 3.47Å; K22-V85 PolarHBondContact NZ-O 3.41Å; V51-V85 HydrophobicContact CG2-CG1 3.61Å; V78-V85 HydrophobicContact CB-CG2 3.89Å; V78-V85 HydrophobicContact CG2-CG2 3.6Å; D80-V85 HydrophobicContact CB-CB 3.72Å; D80-V85 HydrophobicContact CB-CG1 3.84Å; D80-V85 HydrophobicContact CB-CG2 4.04Å; D82-V85 VanDerWaalsContact O-CG1 3.24Å; D82-V85 WeakPolarHBondContact O-CG1 3.45Å; D82-V85 PolarHBondContact O-N 3.38Å; Y83-V85 PolarHBondContact O-N 2.48Å; V85-A87 VanDerWaalsContact C-N 3.34Å
86T98.3Very high98.1Very high0 Ų038.2 Ų38.20%021%0.208CC..G310 helixtrans-87.60.2-179.876.20000113.5T24 V51 Y83 S84 N88 S89 S128T24-T86 HydrophobicContact CG2-CG2 3.54Å; V51-T86 HydrophobicContact CG2-CG2 3.32Å; Y83-T86 HydrophobicContact CD1-CG2 4.25Å; Y83-T86 WeakPolarHBondContact O-CA 3.22Å; Y83-T86 VanDerWaalsContact O-CB 3.29Å; Y83-T86 WeakPolarHBondContact O-CB 3.42Å; Y83-T86 WeakPolarHBondContact O-CG2 3.23Å; Y83-T86 PolarHBondContact O-N 3.28Å; Y83-T86 PolarHBondContact O-OG1 2.82Å; S84-T86 PolarHBondContact O-N 2.99Å; S84-T86 VanDerWaalsContact O-N 3.11Å; T86-N88 PolarHBondContact O-N 3.15Å; T86-S89 PolarHBondContact O-N 3.19Å; T86-S89 PolarHBondContact O-OG 2.63Å; T86-S128 PolarHBondContact O-OG 2.98Å
87A98.1Very high97.9Very high28 Ų2835.9 Ų35.923%0.23121%0.21CC..THydrogen-bonded Turntrans-56.7137.4-172.700000112.8K22 S84 V85 Y127K22-A87 WeakPolarHBondContact CD-O 3.49Å; K22-A87 WeakPolarHBondContact CE-O 3.48Å; K22-A87 PolarHBondContact NZ-O 2.64Å; S84-A87 WeakPolarHBondContact O-CB 3.43Å; S84-A87 PolarHBondContact O-N 3.25Å; S84-A87 VanDerWaalsContact O-N 3.09Å; V85-A87 VanDerWaalsContact C-N 3.34Å; A87-Y127 VanDerWaalsContact CA-O 3.3Å; A87-Y127 WeakPolarHBondContact CA-O 3.18Å
88N97.2Very high97.4Very high119 Ų11936.2 Ų36.264%0.63621%0.214SC*.THydrogen-bonded Turntrans6625.7178.4-53-56.9000116.2T86 Y127 S128T86-N88 PolarHBondContact O-N 3.15Å; N88-Y127 PolarHBondContact N-O 3.29Å; N88-Y127 VanDerWaalsContact N-O 3.12Å; N88-S128 PolarHBondContact N-OG 3.02Å
89S98.6Very high96.6Very high2 Ų243.1 Ų43.11%0.01424%0.237CC..  trans-66.5142.8173-67.80000112.4K22 T24 T86 S128 C131K22-S89 WeakPolarHBondContact CG-OG 3.49Å; T24-S89 PolarHBondContact OG1-OG 3.34Å; T86-S89 PolarHBondContact O-N 3.19Å; T86-S89 PolarHBondContact O-OG 2.63Å; S89-S128 PolarHBondContact N-OG 3.49Å; S89-C131 WeakPolarHBondContact O-CB 3.45Å
90K98.4Very high95.7Very high97 Ų9747.4 Ų47.442%0.42225%0.251SS..SBendtrans-85-41.8172.3-64.9-58.1-175.1-178.70111.8R20 K22 C131 I132 M264R20-K90 WeakPolarHBondContact O-CE 3.15Å; R20-K90 VanDerWaalsContact O-CG 3.28Å; R20-K90 WeakPolarHBondContact O-CG 3.35Å; K22-K90 PolarHBondContact O-N 3.26Å; K90-C131 CarbonylContact O-C 3.53Å; K90-C131 VanDerWaalsContact O-CA 3.32Å; K90-C131 WeakPolarHBondContact O-CA 3.24Å; K90-I132 PolarHBondContact O-N 3.35Å; K90-M264 HydrophobicContact CB-CE 4.12Å; K90-M264 HydrophobicContact CB-SD 3.86Å; K90-M264 HydrophobicContact CG-CE 4.43Å
91V98.8Very high94.9Very high0 Ų049.1 Ų49.10%026%0.256CS..EExtended strand (participates in β ladder)trans-128.8135.4175.4-177.50000109.1V23 T24 V93 I132 L134 V260 I263 M264V23-V91 WeakPolarHBondContact CA-O 3.47Å; V23-V91 HydrophobicContact CG2-CB 4.48Å; T24-V91 PolarHBondContact N-O 2.91Å; V91-V93 HydrophobicContact CG1-CG2 4.31Å; V91-I132 WeakPolarHBondContact CA-O 3.47Å; V91-L134 HydrophobicContact CG1-CB 4.31Å; V91-V260 HydrophobicContact CG1-CG2 4.22Å; V91-I263 HydrophobicContact CG2-CB 4.32Å; V91-I263 HydrophobicContact CG2-CG2 3.56Å; V91-M264 HydrophobicContact CG2-CG 4.35Å; V91-M264 HydrophobicContact CG2-SD 3.67Å
92V98.9Very high93.9Very high0 Ų054.5 Ų54.50%028%0.283CS..EExtended strand (participates in β ladder)trans-120.7113.5173.5-176.10000108.8T24 V26 V94 I124 C131 I132 L133 L134T24-V92 HydrophobicContact CG2-CG1 4.02Å; T24-V92 CarbonylContact O-C 3.47Å; T24-V92 WeakPolarHBondContact O-CA 3.28Å; V26-V92 HydrophobicContact CG2-CG1 3.94Å; V92-V94 HydrophobicContact CG1-CG2 4.44Å; V92-I124 HydrophobicContact CB-CG2 4.04Å; V92-I124 HydrophobicContact CG1-CD1 3.72Å; V92-I124 HydrophobicContact CG1-CG1 4.09Å; V92-I124 HydrophobicContact CG1-CG2 3.91Å; V92-I124 HydrophobicContact CG2-CG2 3.78Å; V92-C131 HydrophobicContact CG2-CB 3.94Å; V92-I132 PolarHBondContact N-O 3.36Å; V92-L133 HydrophobicContact CB-CD2 4.13Å; V92-L134 PolarHBondContact O-N 3.5Å
93V98.9Very high93.2Very high0 Ų054.9 Ų54.90%031%0.306CS..EExtended strand (participates in β ladder)trans-90.7116.8178.8-172.80000108.7T24 V25 V26 I39 V91 T95 L134 V136 V256 V260T24-V93 PolarHBondContact O-N 3.27Å; V25-V93 HydrophobicContact CG2-CB 4.32Å; V26-V93 PolarHBondContact N-O 3.4Å; I39-V93 HydrophobicContact CD1-CG2 4.37Å; V91-V93 HydrophobicContact CG1-CG2 4.31Å; V93-T95 HydrophobicContact CG1-CG2 3.8Å; V93-L134 CarbonylContact C-O 3.45Å; V93-L134 WeakPolarHBondContact CA-O 3.49Å; V93-L134 HydrophobicContact CG2-CD2 4.32Å; V93-V136 HydrophobicContact CG1-CG2 3.63Å; V93-V256 HydrophobicContact CG1-CG1 3.77Å; V93-V256 HydrophobicContact CG2-CG1 4.09Å; V93-V260 HydrophobicContact CG2-CG2 4.13Å
94V98.9Very high92.6Very high0 Ų055.5 Ų55.50%031%0.309CS..EExtended strand (participates in β ladder)trans-100.9106.8-179.4-173.50000109.3V92 F117 I120 I121 I124 L134 V136 S137V92-V94 HydrophobicContact CG1-CG2 4.44Å; V94-F117 HydrophobicContact CB-CZ 4.5Å; V94-F117 HydrophobicContact CG1-CE1 3.87Å; V94-F117 HydrophobicContact CG1-CE2 4.37Å; V94-F117 HydrophobicContact CG1-CZ 3.61Å; V94-I120 HydrophobicContact CG1-CG2 4.35Å; V94-I121 HydrophobicContact CG2-CD1 4.28Å; V94-I124 HydrophobicContact CG2-CD1 3.95Å; V94-L134 PolarHBondContact N-O 2.81Å; V94-V136 PolarHBondContact O-N 3.4Å; V94-S137 PolarHBondContact O-N 2.99Å; V94-S137 VanDerWaalsContact O-N 3.16Å; V94-S137 PolarHBondContact O-OG 2.83Å
95T98.5Very high91.9Very high21 Ų2155.3 Ų55.313%0.12931%0.308CS..  trans-113-8.8179.176.30000113V25 V26 G27 V31 G32 V93 V136V25-T95 HydrophobicContact CG1-CG2 4.28Å; V26-T95 WeakPolarHBondContact O-CA 3.49Å; V26-T95 PolarHBondContact O-N 3.43Å; V26-T95 PolarHBondContact O-OG1 3.13Å; G27-T95 PolarHBondContact O-OG1 2.87Å; V31-T95 HydrophobicContact CG1-CG2 4.06Å; G32-T95 WeakPolarHBondContact CA-OG1 3.28Å; V93-T95 HydrophobicContact CG1-CG2 3.8Å; T95-V136 HydrophobicContact CG2-CB 4.16Å; T95-V136 HydrophobicContact CG2-CG2 4.35Å
96A95.9Very high91.2Very high20 Ų2058.6 Ų58.617%0.16532%0.317CS..  trans-68.7132178.100000111.2V26 I120 S137V26-A96 HydrophobicContact CG1-CB 4.13Å; V26-A96 PolarHBondContact O-N 2.89Å; V26-A96 VanDerWaalsContact O-N 3.11Å; A96-I120 HydrophobicContact CB-CD1 3.63Å; A96-S137 PolarHBondContact N-OG 3.09Å; A96-S137 WeakPolarHBondContact O-CB 3.24Å; A96-S137 PolarHBondContact O-OG 3.36Å
97G91.4Very high90.6Very high39 Ų3961.1 Ų61.140%0.40233%0.331SS..  trans-175.2156.617700000111.6N113G97-N113 WeakPolarHBondContact CA-OD1 3.44Å
98A88.2Confident90.1Very high18 Ų1864.1 Ų64.115%0.14934%0.343CS..PPolyproline II helixtrans-67.9140.6167.800000110.2L109 R112 N113 I116A98-L109 HydrophobicContact CB-CD1 4.22Å; A98-R112 HydrophobicContact CB-CB 4.41Å; A98-N113 PolarHBondContact N-OD1 3.2Å; A98-N113 PolarHBondContact O-ND2 2.9Å; A98-I116 HydrophobicContact CB-CD1 4.03Å
99R81.8Confident89.8Confident177 Ų17759.4 Ų59.467%0.66832%0.317SS*.PPolyproline II helixtrans-83.6148165.7-63.5-177.3-177.1-175.80.4109.4Q101R99-Q101 PolarHBondContact O-N 3.37Å
100Q78.8Confident89.4Confident121 Ų12159.3 Ų59.357%0.56532%0.317SS*.PPolyproline II helixtrans-59.5131172.5-163.5171.33.200110E104 L109Q100-E104 WeakPolarHBondContact CA-OE2 3.43Å; Q100-E104 HydrophobicContact CG-CB 4.24Å; Q100-E104 PolarHBondContact NE2-O 2.85Å; Q100-L109 HydrophobicContact CB-CD1 4.46Å; Q100-L109 HydrophobicContact CB-CD2 3.76Å; Q100-L109 HydrophobicContact CG-CD2 4.02Å
101Q81.8Confident89.2Confident119 Ų11956.7 Ų56.756%0.55631%0.306SS*.PPolyproline II helixtrans-88.9156.4171.8-67177.3-11.500110.6R99 G103 E104R99-Q101 PolarHBondContact O-N 3.37Å; Q101-G103 PolarHBondContact O-N 3.1Å; Q101-E104 HydrophobicContact CB-CB 4.1Å; Q101-E104 PolarHBondContact N-OE2 3.18Å; Q101-E104 WeakPolarHBondContact O-CB 3.12Å; Q101-E104 PolarHBondContact O-N 3.18Å
102E77.8Confident89Confident207 Ų20760.7 Ų60.797%0.96732%0.321SS*.THydrogen-bonded Turntrans-60.5127.6177.1-168174.1-178.400110.4E104E102-E104 VanDerWaalsContact C-N 3.27Å; E102-E104 PolarHBondContact O-N 2.94Å
103G81.6Confident88.8Confident87 Ų8760.7 Ų60.790%0.89732%0.321SS*.THydrogen-bonded Turntrans76.90.6-175.500000115.7Q101Q101-G103 PolarHBondContact O-N 3.1Å
104E86.3Confident88.6Confident26 Ų2660.7 Ų60.712%0.12132%0.321CS..  trans-75.7129.6178.7-174.4175.4-143.900111.8Q100 Q101 E102 N108 L109 R112Q100-E104 WeakPolarHBondContact CA-OE2 3.43Å; Q100-E104 HydrophobicContact CG-CB 4.24Å; Q100-E104 PolarHBondContact NE2-O 2.85Å; Q101-E104 HydrophobicContact CB-CB 4.1Å; Q101-E104 PolarHBondContact N-OE2 3.18Å; Q101-E104 WeakPolarHBondContact O-CB 3.12Å; Q101-E104 PolarHBondContact O-N 3.18Å; E102-E104 VanDerWaalsContact C-N 3.27Å; E102-E104 PolarHBondContact O-N 2.94Å; E104-N108 HydrophobicContact CG-CB 3.93Å; E104-L109 HydrophobicContact CG-CB 4.37Å; E104-R112 WeakPolarHBondContact OE1-CD 3.25Å; E104-R112 IonicContact OE1-CZ 3.36Å; E104-R112 IonicContact OE1-NE 3.37Å; E104-R112 IonicContact OE1-NH1 2.67Å; E104-R112 PolarHBondContact OE1-NH1 2.95Å; E104-R112 IonicContact OE2-NH1 3.62Å; E104-R112 PolarHBondContact OE2-NH1 3.19Å
105S84.1Confident88.5Confident55 Ų5564.8 Ų64.839%0.38534%0.343SS..  trans-68.2151.4174.477.10000111.5L107 N108 L109S105-L107 PolarHBondContact O-N 2.87Å; S105-N108 PolarHBondContact O-N 2.97Å; S105-N108 VanDerWaalsContact O-N 3.17Å; S105-N108 WeakPolarHBondContact OG-CB 3.32Å; S105-N108 VanDerWaalsContact OG-CG 3.22Å; S105-N108 PolarHBondContact OG-N 3.36Å; S105-N108 PolarHBondContact OG-ND2 3.16Å; S105-L109 PolarHBondContact O-N 3.22Å; S105-L109 VanDerWaalsContact O-N 3.11Å
106R82.4Confident88.4Confident94 Ų9466.6 Ų66.636%0.35535%0.351SS..Hα-helixtrans-54.5-42175.8-174.7175.5177169.51.9112.1L109 V110 E192R106-L109 PolarHBondContact O-N 3.09Å; R106-V110 WeakPolarHBondContact O-CG2 3.43Å; R106-V110 PolarHBondContact O-N 2.9Å; R106-E192 IonicContact CZ-OE1 2.71Å; R106-E192 IonicContact NH1-OE1 3.77Å; R106-E192 PolarHBondContact NH1-OE1 3.06Å; R106-E192 IonicContact NH2-OE1 3.97Å; R106-E192 PolarHBondContact NH2-OE1 3.08Å
107L85.9Confident88.5Confident54 Ų5465.6 Ų65.628%0.28334%0.343SS..Hα-helixtrans-62.8-44.2178.9-176.168.1000112.1S105 V110 Q111 V326 E329 L330S105-L107 PolarHBondContact O-N 2.87Å; L107-V110 PolarHBondContact O-N 3.21Å; L107-Q111 PolarHBondContact O-N 2.81Å; L107-V326 HydrophobicContact CD1-CG1 3.95Å; L107-E329 HydrophobicContact CD1-CB 3.94Å; L107-E329 HydrophobicContact CD2-CB 4.49Å; L107-E329 VanDerWaalsContact CD2-OE2 3.28Å; L107-E329 WeakPolarHBondContact CD2-OE2 3.33Å; L107-L330 HydrophobicContact CD1-CD2 4.24Å
108N88.1Confident88.8Confident91 Ų9167.2 Ų67.249%0.48734%0.339SS..Hα-helixtrans-64.6-42.6179.5-73.2-8.4000111.8E104 S105 V110 Q111 R112E104-N108 HydrophobicContact CG-CB 3.93Å; S105-N108 PolarHBondContact O-N 2.97Å; S105-N108 VanDerWaalsContact O-N 3.17Å; S105-N108 WeakPolarHBondContact OG-CB 3.32Å; S105-N108 VanDerWaalsContact OG-CG 3.22Å; S105-N108 PolarHBondContact OG-N 3.36Å; S105-N108 PolarHBondContact OG-ND2 3.16Å; N108-V110 VanDerWaalsContact C-N 3.33Å; N108-V110 PolarHBondContact O-N 3.23Å; N108-Q111 PolarHBondContact O-N 2.9Å; N108-R112 WeakPolarHBondContact O-CG 3.36Å; N108-R112 PolarHBondContact O-N 3.31Å
109L89.7Confident89.2Confident19 Ų1972 Ų7210%0.09936%0.357CS..Hα-helixtrans-58.6-46.3174.1174.562.3000111.4A98 Q100 E104 S105 R106 R112 N113A98-L109 HydrophobicContact CB-CD1 4.22Å; Q100-L109 HydrophobicContact CB-CD1 4.46Å; Q100-L109 HydrophobicContact CB-CD2 3.76Å; Q100-L109 HydrophobicContact CG-CD2 4.02Å; E104-L109 HydrophobicContact CG-CB 4.37Å; S105-L109 PolarHBondContact O-N 3.22Å; S105-L109 VanDerWaalsContact O-N 3.11Å; R106-L109 PolarHBondContact O-N 3.09Å; L109-R112 PolarHBondContact O-N 3.17Å; L109-N113 PolarHBondContact O-N 3.4Å; L109-N113 VanDerWaalsContact O-N 3.08Å; L109-N113 PolarHBondContact O-ND2 2.99Å
110V91.9Very high90Very high0 Ų064 Ų640%033%0.327CS..Hα-helixtrans-61-47.6178.2177.70000110.1R106 L107 N108 R112 N113 V114 P139 I142 V326 L330R106-V110 WeakPolarHBondContact O-CG2 3.43Å; R106-V110 PolarHBondContact O-N 2.9Å; L107-V110 PolarHBondContact O-N 3.21Å; N108-V110 VanDerWaalsContact C-N 3.33Å; N108-V110 PolarHBondContact O-N 3.23Å; V110-R112 VanDerWaalsContact C-N 3.32Å; V110-R112 PolarHBondContact O-N 3.25Å; V110-N113 CarbonylContact O-C 3.59Å; V110-N113 PolarHBondContact O-N 2.71Å; V110-N113 VanDerWaalsContact O-N 3.09Å; V110-V114 HydrophobicContact CG1-CG2 4.19Å; V110-V114 VanDerWaalsContact O-CG2 3.24Å; V110-V114 WeakPolarHBondContact O-CG2 3.22Å; V110-V114 PolarHBondContact O-N 2.91Å; V110-P139 HydrophobicContact CG2-CG 3.52Å; V110-I142 HydrophobicContact CG1-CG2 3.65Å; V110-I142 HydrophobicContact CG2-CD1 4.25Å; V110-V326 HydrophobicContact CG2-CG1 4.19Å; V110-L330 HydrophobicContact CB-CD2 4.26Å; V110-L330 HydrophobicContact CG1-CD1 4.04Å; V110-L330 HydrophobicContact CG1-CD2 3.45Å; V110-L330 VanDerWaalsContact CG1-CD2 3.45Å; V110-L330 HydrophobicContact CG1-CG 4.39Å
111Q93.2Very high90.9Very high43 Ų4358.2 Ų58.220%0.20130%0.3CS..Hα-helixtrans-63.6-35.5-178.8-17160.459.500112.6L107 N108 V114 N115 T331L107-Q111 PolarHBondContact O-N 2.81Å; N108-Q111 PolarHBondContact O-N 2.9Å; Q111-V114 WeakPolarHBondContact O-CB 3.36Å; Q111-V114 PolarHBondContact O-N 3.38Å; Q111-N115 PolarHBondContact NE2-OD1 3.06Å; Q111-N115 VanDerWaalsContact O-CG 3.27Å; Q111-N115 PolarHBondContact O-N 3.35Å; Q111-N115 PolarHBondContact O-ND2 2.82Å; Q111-T331 PolarHBondContact NE2-O 3.2Å
112R94.4Very high91.8Very high84 Ų8455.3 Ų55.332%0.31729%0.292SS..Hα-helixtrans-62.9-44.9171.6-75.2170.864.2-154-2.6111.6A98 E104 N108 L109 V110 V114 N115 I116A98-R112 HydrophobicContact CB-CB 4.41Å; E104-R112 WeakPolarHBondContact OE1-CD 3.25Å; E104-R112 IonicContact OE1-CZ 3.36Å; E104-R112 IonicContact OE1-NE 3.37Å; E104-R112 IonicContact OE1-NH1 2.67Å; E104-R112 PolarHBondContact OE1-NH1 2.95Å; E104-R112 IonicContact OE2-NH1 3.62Å; E104-R112 PolarHBondContact OE2-NH1 3.19Å; N108-R112 WeakPolarHBondContact O-CG 3.36Å; N108-R112 PolarHBondContact O-N 3.31Å; L109-R112 PolarHBondContact O-N 3.17Å; V110-R112 VanDerWaalsContact C-N 3.32Å; V110-R112 PolarHBondContact O-N 3.25Å; R112-V114 VanDerWaalsContact C-N 3.33Å; R112-V114 PolarHBondContact O-N 2.88Å; R112-N115 PolarHBondContact O-N 3.46Å; R112-I116 WeakPolarHBondContact O-CG1 3.31Å; R112-I116 PolarHBondContact O-N 2.82Å
113N95.4Very high92.7Very high0 Ų047.4 Ų47.40%026%0.256CS..Hα-helixtrans-65-35.9175.9-81.8-46.4000112.6G97 A98 L109 V110 N115 I116 F117 N138 L143G97-N113 WeakPolarHBondContact CA-OD1 3.44Å; A98-N113 PolarHBondContact N-OD1 3.2Å; A98-N113 PolarHBondContact O-ND2 2.9Å; L109-N113 PolarHBondContact O-N 3.4Å; L109-N113 VanDerWaalsContact O-N 3.08Å; L109-N113 PolarHBondContact O-ND2 2.99Å; V110-N113 CarbonylContact O-C 3.59Å; V110-N113 PolarHBondContact O-N 2.71Å; V110-N113 VanDerWaalsContact O-N 3.09Å; N113-N115 VanDerWaalsContact C-N 3.35Å; N113-N115 PolarHBondContact O-N 3.36Å; N113-I116 WeakPolarHBondContact O-CB 3.38Å; N113-I116 PolarHBondContact O-N 3.36Å; N113-F117 WeakPolarHBondContact O-CB 3.2Å; N113-F117 WeakPolarHBondContact O-CD1 3.14Å; N113-F117 PolarHBondContact O-N 2.6Å; N113-N138 PolarHBondContact ND2-O 3.34Å; N113-L143 HydrophobicContact CB-CD1 3.81Å; N113-L143 HydrophobicContact CB-CD2 3.64Å; N113-L143 HydrophobicContact CB-CG 4.37Å
114V95.3Very high93.6Very high0 Ų043.2 Ų43.20%021%0.213CC..Hα-helixtrans-57.6-48.9171.2172.20000110V110 Q111 R112 I116 F117 K118 V146 L330V110-V114 HydrophobicContact CG1-CG2 4.19Å; V110-V114 VanDerWaalsContact O-CG2 3.24Å; V110-V114 WeakPolarHBondContact O-CG2 3.22Å; V110-V114 PolarHBondContact O-N 2.91Å; Q111-V114 WeakPolarHBondContact O-CB 3.36Å; Q111-V114 PolarHBondContact O-N 3.38Å; R112-V114 VanDerWaalsContact C-N 3.33Å; R112-V114 PolarHBondContact O-N 2.88Å; V114-I116 VanDerWaalsContact C-N 3.3Å; V114-I116 PolarHBondContact O-N 2.88Å; V114-F117 CarbonylContact O-C 3.54Å; V114-F117 WeakPolarHBondContact O-CA 3.29Å; V114-F117 PolarHBondContact O-N 2.62Å; V114-K118 WeakPolarHBondContact O-CG 3.37Å; V114-K118 PolarHBondContact O-N 2.95Å; V114-V146 HydrophobicContact CB-CG1 4.45Å; V114-V146 HydrophobicContact CG1-CG1 4.26Å; V114-V146 HydrophobicContact CG2-CG1 4.15Å; V114-V146 HydrophobicContact CG2-CG2 3.75Å; V114-L330 HydrophobicContact CG2-CD1 4.42Å; V114-L330 HydrophobicContact CG2-CD2 4.39Å
115N95.4Very high94.1Very high85 Ų8543.5 Ų43.546%0.45522%0.216SC..Hα-helixtrans-61.7-37.2179-66.1-20.7000112.6Q111 R112 N113Q111-N115 PolarHBondContact NE2-OD1 3.06Å; Q111-N115 VanDerWaalsContact O-CG 3.27Å; Q111-N115 PolarHBondContact O-N 3.35Å; Q111-N115 PolarHBondContact O-ND2 2.82Å; R112-N115 PolarHBondContact O-N 3.46Å; N113-N115 VanDerWaalsContact C-N 3.35Å; N113-N115 PolarHBondContact O-N 3.36Å
116I96.6Very high94.8Very high59 Ų5947.4 Ų47.430%0.30323%0.226SC..Hα-helixtrans-63.2-46.3171.8-65.6167.9000109.9A98 R112 N113 V114 K118 F119 I120A98-I116 HydrophobicContact CB-CD1 4.03Å; R112-I116 WeakPolarHBondContact O-CG1 3.31Å; R112-I116 PolarHBondContact O-N 2.82Å; N113-I116 WeakPolarHBondContact O-CB 3.38Å; N113-I116 PolarHBondContact O-N 3.36Å; V114-I116 VanDerWaalsContact C-N 3.3Å; V114-I116 PolarHBondContact O-N 2.88Å; I116-K118 VanDerWaalsContact C-N 3.32Å; I116-K118 PolarHBondContact O-N 2.94Å; I116-F119 WeakPolarHBondContact O-CB 3.29Å; I116-F119 PolarHBondContact O-N 2.62Å; I116-I120 HydrophobicContact CG2-CD1 3.48Å; I116-I120 VanDerWaalsContact CG2-CD1 3.48Å; I116-I120 HydrophobicContact CG2-CG1 4.08Å; I116-I120 WeakPolarHBondContact O-CG1 3.35Å; I116-I120 PolarHBondContact O-N 2.96Å
117F98.4Very high95.6Very high0 Ų045.6 Ų45.60%022%0.22CC..Hα-helixtrans-65.2-31.5-179.6-88.442.8000113.1V94 N113 V114 F119 I120 I121 V135 L143 V146 A147 L150V94-F117 HydrophobicContact CB-CZ 4.5Å; V94-F117 HydrophobicContact CG1-CE1 3.87Å; V94-F117 HydrophobicContact CG1-CE2 4.37Å; V94-F117 HydrophobicContact CG1-CZ 3.61Å; N113-F117 WeakPolarHBondContact O-CB 3.2Å; N113-F117 WeakPolarHBondContact O-CD1 3.14Å; N113-F117 PolarHBondContact O-N 2.6Å; V114-F117 CarbonylContact O-C 3.54Å; V114-F117 WeakPolarHBondContact O-CA 3.29Å; V114-F117 PolarHBondContact O-N 2.62Å; F117-F119 PolarHBondContact O-N 3.12Å; F117-I120 PolarHBondContact O-N 3.37Å; F117-I121 HydrophobicContact CB-CG1 4.06Å; F117-I121 HydrophobicContact CD2-CD1 3.96Å; F117-I121 HydrophobicContact CD2-CG1 3.73Å; F117-I121 HydrophobicContact CE2-CD1 4.18Å; F117-I121 HydrophobicContact CE2-CG1 4.45Å; F117-I121 HydrophobicContact CG-CG1 4.07Å; F117-I121 WeakPolarHBondContact O-CB 3Å; F117-I121 WeakPolarHBondContact O-CG1 3.24Å; F117-I121 PolarHBondContact O-N 2.87Å; F117-V135 HydrophobicContact CE2-CG1 4.02Å; F117-V135 HydrophobicContact CZ-CG1 3.99Å; F117-L143 HydrophobicContact CE1-CD1 4.38Å; F117-L143 HydrophobicContact CE2-CB 3.98Å; F117-L143 WeakPolarHBondContact CE2-O 3.46Å; F117-L143 HydrophobicContact CZ-CB 4.12Å; F117-L143 HydrophobicContact CZ-CD1 4.28Å; F117-V146 HydrophobicContact CB-CG1 4.08Å; F117-V146 HydrophobicContact CD2-CG1 4.3Å; F117-A147 HydrophobicContact CD2-CB 4.09Å; F117-A147 HydrophobicContact CE2-CB 4.01Å; F117-L150 HydrophobicContact CB-CD1 3.82Å
118K97.4Very high96.2Very high72 Ų7243 Ų4331%0.31321%0.207SC..Hα-helixtrans-58.3-27.3172.3-68.4-171.7-159-153.10112.7V114 I116 P122 L150 T331 L332V114-K118 WeakPolarHBondContact O-CG 3.37Å; V114-K118 PolarHBondContact O-N 2.95Å; I116-K118 VanDerWaalsContact C-N 3.32Å; I116-K118 PolarHBondContact O-N 2.94Å; K118-P122 WeakPolarHBondContact O-CD 3.42Å; K118-P122 WeakPolarHBondContact O-CG 3.41Å; K118-L150 HydrophobicContact CG-CD1 4.17Å; K118-L150 HydrophobicContact CG-CD2 4.12Å; K118-T331 WeakPolarHBondContact CE-O 3.26Å; K118-T331 PolarHBondContact NZ-O 3.1Å; K118-L332 WeakPolarHBondContact CD-OXT 3.5Å; K118-L332 VanDerWaalsContact CE-C 3.42Å; K118-L332 WeakPolarHBondContact CE-OXT 3.49Å; K118-L332 PolarHBondContact NZ-O 3.45Å; K118-L332 PolarHBondContact NZ-OXT 3.31Å
119F97.2Very high96.7Very high120 Ų12041.8 Ų41.853%0.52620%0.203SC..Hα-helixtrans-88.1-44.7173.2-177.9-98.6000112.3Y83 I116 F117 N123Y83-F119 AromaticContact CE2-CE1 3.93Å; Y83-F119 HydrophobicContact CE2-CE1 3.93Å; I116-F119 WeakPolarHBondContact O-CB 3.29Å; I116-F119 PolarHBondContact O-N 2.62Å; F117-F119 PolarHBondContact O-N 3.12Å; F119-N123 PolarHBondContact O-ND2 3.31Å
120I98.4Very high97Very high8 Ų846.7 Ų46.74%0.04123%0.23CC..Hα-helixtrans-69.5-54.8-173.2-63.5-174.5000112V26 Y83 V94 A96 I116 F117 N123 I124V26-I120 HydrophobicContact CG1-CD1 4.1Å; V26-I120 HydrophobicContact CG1-CG2 3.94Å; Y83-I120 HydrophobicContact CE1-CG2 4.2Å; Y83-I120 WeakPolarHBondContact OH-CG1 3.19Å; V94-I120 HydrophobicContact CG1-CG2 4.35Å; A96-I120 HydrophobicContact CB-CD1 3.63Å; I116-I120 HydrophobicContact CG2-CD1 3.48Å; I116-I120 VanDerWaalsContact CG2-CD1 3.48Å; I116-I120 HydrophobicContact CG2-CG1 4.08Å; I116-I120 WeakPolarHBondContact O-CG1 3.35Å; I116-I120 PolarHBondContact O-N 2.96Å; F117-I120 PolarHBondContact O-N 3.37Å; I120-N123 PolarHBondContact O-N 2.96Å; I120-I124 HydrophobicContact CG2-CD1 3.53Å; I120-I124 HydrophobicContact CG2-CG1 4.32Å; I120-I124 WeakPolarHBondContact O-CG1 3.08Å; I120-I124 PolarHBondContact O-N 3.26Å; I120-I124 VanDerWaalsContact O-N 3.11Å
121I98.7Very high97.3Very high0 Ų046.7 Ų46.70%023%0.23CC..Hα-helixtrans-66-47-166.2-58.6-63.1000112.4V94 F117 N123 I124 V125 L133 A147 L150V94-I121 HydrophobicContact CG2-CD1 4.28Å; F117-I121 HydrophobicContact CB-CG1 4.06Å; F117-I121 HydrophobicContact CD2-CD1 3.96Å; F117-I121 HydrophobicContact CD2-CG1 3.73Å; F117-I121 HydrophobicContact CE2-CD1 4.18Å; F117-I121 HydrophobicContact CE2-CG1 4.45Å; F117-I121 HydrophobicContact CG-CG1 4.07Å; F117-I121 WeakPolarHBondContact O-CB 3Å; F117-I121 WeakPolarHBondContact O-CG1 3.24Å; F117-I121 PolarHBondContact O-N 2.87Å; I121-N123 VanDerWaalsContact C-N 3.28Å; I121-N123 PolarHBondContact O-N 3.32Å; I121-I124 HydrophobicContact CD1-CD1 4.31Å; I121-I124 PolarHBondContact O-N 3.45Å; I121-V125 HydrophobicContact CG2-CG2 4.45Å; I121-V125 WeakPolarHBondContact O-CG2 3.45Å; I121-V125 PolarHBondContact O-N 3.09Å; I121-L133 HydrophobicContact CD1-CD1 4.48Å; I121-L133 HydrophobicContact CG2-CD1 4.3Å; I121-A147 HydrophobicContact CD1-CB 3.86Å; I121-A147 HydrophobicContact CG1-CB 4.21Å; I121-L150 HydrophobicContact CB-CB 4.09Å; I121-L150 HydrophobicContact CG2-CB 3.93Å
122P98.6Very high97.6Very high58 Ų5845 Ų4538%0.37722%0.222SC..Hα-helixtrans-61.7-35.5178.9-2637.8000113.3K118 V125 K126K118-P122 WeakPolarHBondContact O-CD 3.42Å; K118-P122 WeakPolarHBondContact O-CG 3.41Å; P122-V125 PolarHBondContact O-N 3.39Å; P122-K126 WeakPolarHBondContact O-CB 3.16Å; P122-K126 PolarHBondContact O-N 2.98Å
123N98.6Very high97.8Very high40 Ų4041 Ų4121%0.21421%0.207CC..Hα-helixtrans-67.8-40.2176.4-81.6-63.1000112Y83 F119 I120 I121 K126 Y127Y83-N123 HydrophobicContact CD1-CB 3.78Å; Y83-N123 HydrophobicContact CD2-CB 3.88Å; Y83-N123 HydrophobicContact CE1-CB 4.34Å; Y83-N123 HydrophobicContact CE2-CB 4.44Å; Y83-N123 HydrophobicContact CG-CB 3.53Å; F119-N123 PolarHBondContact O-ND2 3.31Å; I120-N123 PolarHBondContact O-N 2.96Å; I121-N123 VanDerWaalsContact C-N 3.28Å; I121-N123 PolarHBondContact O-N 3.32Å; N123-K126 PolarHBondContact O-N 3.3Å; N123-Y127 WeakPolarHBondContact O-CD2 3.42Å; N123-Y127 PolarHBondContact O-N 3.2Å
124I98.6Very high98Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-59-49.8173.1-66.1164.3000110.3V26 Y83 V92 V94 I120 I121 K126 Y127 S128 L133V26-I124 HydrophobicContact CG2-CD1 4.1Å; Y83-I124 HydrophobicContact CD1-CG1 3.92Å; Y83-I124 HydrophobicContact CE1-CD1 4.43Å; Y83-I124 HydrophobicContact CE1-CG1 3.75Å; V92-I124 HydrophobicContact CB-CG2 4.04Å; V92-I124 HydrophobicContact CG1-CD1 3.72Å; V92-I124 HydrophobicContact CG1-CG1 4.09Å; V92-I124 HydrophobicContact CG1-CG2 3.91Å; V92-I124 HydrophobicContact CG2-CG2 3.78Å; V94-I124 HydrophobicContact CG2-CD1 3.95Å; I120-I124 HydrophobicContact CG2-CD1 3.53Å; I120-I124 HydrophobicContact CG2-CG1 4.32Å; I120-I124 WeakPolarHBondContact O-CG1 3.08Å; I120-I124 PolarHBondContact O-N 3.26Å; I120-I124 VanDerWaalsContact O-N 3.11Å; I121-I124 HydrophobicContact CD1-CD1 4.31Å; I121-I124 PolarHBondContact O-N 3.45Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 2.9Å; I124-Y127 PolarHBondContact O-N 2.82Å; I124-S128 WeakPolarHBondContact O-CA 3.15Å; I124-S128 WeakPolarHBondContact O-CB 3.21Å; I124-S128 PolarHBondContact O-N 2.8Å; I124-L133 HydrophobicContact CD1-CD2 4.38Å; I124-L133 HydrophobicContact CG2-CD2 3.75Å
125V98.4Very high98.2Very high31 Ų3141 Ų4119%0.18821%0.207CC..Hα-helixtrans-62-38.7-177.7172.10000111.7I121 P122 Y127 S128 P129 F153I121-V125 HydrophobicContact CG2-CG2 4.45Å; I121-V125 WeakPolarHBondContact O-CG2 3.45Å; I121-V125 PolarHBondContact O-N 3.09Å; P122-V125 PolarHBondContact O-N 3.39Å; V125-Y127 VanDerWaalsContact C-N 3.34Å; V125-Y127 PolarHBondContact O-N 3.01Å; V125-S128 CarbonylContact O-C 3.55Å; V125-P129 WeakPolarHBondContact O-CA 3.49Å; V125-F153 HydrophobicContact CB-CE1 4.25Å; V125-F153 HydrophobicContact CB-CZ 4.45Å; V125-F153 HydrophobicContact CG1-CD1 4.48Å; V125-F153 HydrophobicContact CG1-CE1 3.72Å; V125-F153 HydrophobicContact CG1-CZ 4.33Å; V125-F153 HydrophobicContact CG2-CD1 4.27Å; V125-F153 HydrophobicContact CG2-CE1 3.74Å; V125-F153 HydrophobicContact CG2-CE2 4.43Å; V125-F153 HydrophobicContact CG2-CZ 3.83Å
126K98.6Very high98.3Very high137 Ų13737.2 Ų37.260%0.59619%0.187SC*.Hα-helixtrans-56.5-45.3176.7178.6-174.4175.4-1660112.4P122 N123 I124P122-K126 WeakPolarHBondContact O-CB 3.16Å; P122-K126 PolarHBondContact O-N 2.98Å; N123-K126 PolarHBondContact O-N 3.3Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 2.9Å
127Y98.6Very high98.4Very high56 Ų5634.7 Ų34.722%0.2218%0.175CC..Hα-helixtrans-95.4-20.2-174.6-64.8-68.4000113.6Y83 A87 N88 N123 I124 V125Y83-Y127 VanDerWaalsContact O-CD2 3.31Å; Y83-Y127 WeakPolarHBondContact O-CD2 3.23Å; A87-Y127 VanDerWaalsContact CA-O 3.3Å; A87-Y127 WeakPolarHBondContact CA-O 3.18Å; N88-Y127 PolarHBondContact N-O 3.29Å; N88-Y127 VanDerWaalsContact N-O 3.12Å; N123-Y127 WeakPolarHBondContact O-CD2 3.42Å; N123-Y127 PolarHBondContact O-N 3.2Å; I124-Y127 PolarHBondContact O-N 2.82Å; V125-Y127 VanDerWaalsContact C-N 3.34Å; V125-Y127 PolarHBondContact O-N 3.01Å
128S98.4Very high98.1Very high1 Ų138.7 Ų38.71%0.00720%0.196CC..  trans-135.364.3-178.5-74.80000111.9T86 N88 S89 I124 V125 N130 C131T86-S128 PolarHBondContact O-OG 2.98Å; N88-S128 PolarHBondContact N-OG 3.02Å; S89-S128 PolarHBondContact N-OG 3.49Å; I124-S128 WeakPolarHBondContact O-CA 3.15Å; I124-S128 WeakPolarHBondContact O-CB 3.21Å; I124-S128 PolarHBondContact O-N 2.8Å; V125-S128 CarbonylContact O-C 3.55Å; S128-N130 PolarHBondContact O-N 3.24Å; S128-C131 PolarHBondContact O-N 2.76Å; S128-C131 VanDerWaalsContact O-N 3.16Å; S128-C131 PolarHBondContact O-SG 2.83Å
129P98.1Very high98Very high64 Ų6436.3 Ų36.342%0.41619%0.188SC..THydrogen-bonded Turntrans-64.8-15.1-17627.3-36.8000114V125 F153 R157V125-P129 WeakPolarHBondContact O-CA 3.49Å; P129-F153 WeakPolarHBondContact O-CE1 3.31Å; P129-F153 WeakPolarHBondContact O-CZ 3.12Å; P129-R157 PolarHBondContact O-NH1 2.88Å; P129-R157 PolarHBondContact O-NH2 3.36Å; P129-R157 VanDerWaalsContact O-NH2 3.1Å
130N97.3Very high98Very high123 Ų12330.6 Ų30.666%0.65816%0.163SC*.THydrogen-bonded Turntrans-103.32.9-177.6-66.2-39.5000114S128S128-N130 PolarHBondContact O-N 3.24Å
131C98.7Very high98Very high0 Ų030.4 Ų30.40%016%0.162CC..PPolyproline II helixtrans-76.5166.1-176.775.20000113.1S89 K90 V92 S128 F153S89-C131 WeakPolarHBondContact O-CB 3.45Å; K90-C131 CarbonylContact O-C 3.53Å; K90-C131 VanDerWaalsContact O-CA 3.32Å; K90-C131 WeakPolarHBondContact O-CA 3.24Å; V92-C131 HydrophobicContact CG2-CB 3.94Å; S128-C131 PolarHBondContact O-N 2.76Å; S128-C131 VanDerWaalsContact O-N 3.16Å; S128-C131 PolarHBondContact O-SG 2.83Å; C131-F153 VanDerWaalsContact O-CE2 3.23Å; C131-F153 WeakPolarHBondContact O-CE2 3.47Å
132I98.9Very high97.9Very high6 Ų630.4 Ų30.43%0.03116%0.162CC..EExtended strand (participates in β ladder)trans-99.9129.4161.3-65.2153000107.6K90 V91 V92 R157 I159 I263 N297K90-I132 PolarHBondContact O-N 3.35Å; V91-I132 WeakPolarHBondContact CA-O 3.47Å; V92-I132 PolarHBondContact N-O 3.36Å; I132-R157 WeakPolarHBondContact CA-O 3.11Å; I132-R157 HydrophobicContact CG1-CB 4.38Å; I132-R157 HydrophobicContact CG1-CG 4.32Å; I132-I159 HydrophobicContact CG2-CD1 3.78Å; I132-I159 HydrophobicContact CG2-CG1 4.42Å; I132-I263 HydrophobicContact CD1-CG2 3.42Å; I132-I263 VanDerWaalsContact CD1-CG2 3.42Å; I132-I263 HydrophobicContact CG2-CD1 4.19Å; I132-N297 WeakPolarHBondContact CD1-O 3.32Å
133L98.9Very high97.9Very high0 Ų027.7 Ų27.70%014%0.144CC..EExtended strand (participates in β ladder)trans-86.1122.9172.7-64.8177.7000109V92 I121 I124 F153 R157 V158 I159V92-L133 HydrophobicContact CB-CD2 4.13Å; I121-L133 HydrophobicContact CD1-CD1 4.48Å; I121-L133 HydrophobicContact CG2-CD1 4.3Å; I124-L133 HydrophobicContact CD1-CD2 4.38Å; I124-L133 HydrophobicContact CG2-CD2 3.75Å; L133-F153 HydrophobicContact CD1-CD2 4.14Å; L133-F153 HydrophobicContact CD1-CE2 4.36Å; L133-F153 HydrophobicContact CG-CD2 4.16Å; L133-F153 HydrophobicContact CG-CE2 4.12Å; L133-R157 PolarHBondContact N-O 3.42Å; L133-V158 HydrophobicContact CB-CG1 4.33Å; L133-V158 HydrophobicContact CD1-CG2 4.23Å; L133-I159 PolarHBondContact O-N 2.74Å
134L98.9Very high97.9Very high0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-110.7101.1170.2-179.959.4000109V91 V92 V93 V94 V136 I159 V256 L259 V260V91-L134 HydrophobicContact CG1-CB 4.31Å; V92-L134 PolarHBondContact O-N 3.5Å; V93-L134 CarbonylContact C-O 3.45Å; V93-L134 WeakPolarHBondContact CA-O 3.49Å; V93-L134 HydrophobicContact CG2-CD2 4.32Å; V94-L134 PolarHBondContact N-O 2.81Å; L134-V136 HydrophobicContact CG-CG2 4.47Å; L134-I159 CarbonylContact C-O 3.59Å; L134-I159 VanDerWaalsContact CA-O 3.31Å; L134-I159 WeakPolarHBondContact CA-O 3.29Å; L134-I159 HydrophobicContact CD1-CB 4.37Å; L134-I159 HydrophobicContact CD1-CG2 4.17Å; L134-V256 HydrophobicContact CD2-CG1 4.01Å; L134-L259 HydrophobicContact CD1-CD1 3.93Å; L134-L259 HydrophobicContact CD2-CB 4.07Å; L134-L259 HydrophobicContact CD2-CD1 4.36Å; L134-V260 HydrophobicContact CD2-CG2 3.99Å
135V98.9Very high97.9Very high0 Ų026.9 Ų26.90%014%0.138CC..EExtended strand (participates in β ladder)trans-84.7125.6-178.6-175.80000109.6F117 V140 L143 A147 I159 G160 S161F117-V135 HydrophobicContact CE2-CG1 4.02Å; F117-V135 HydrophobicContact CZ-CG1 3.99Å; V135-V140 HydrophobicContact CG1-CG2 4.43Å; V135-V140 VanDerWaalsContact O-CG2 3.23Å; V135-V140 WeakPolarHBondContact O-CG2 3.39Å; V135-L143 HydrophobicContact CG1-CB 4.08Å; V135-A147 HydrophobicContact CG2-CB 3.75Å; V135-I159 PolarHBondContact N-O 3.09Å; V135-G160 CarbonylContact O-C 3.59Å; V135-G160 WeakPolarHBondContact O-CA 3.43Å; V135-S161 PolarHBondContact O-N 3.36Å
136V98.6Very high97.9Very high7 Ų725.4 Ų25.44%0.04213%0.129CC..  trans-117.7-23.6178.4-173.40000110.9V31 V93 V94 T95 L134 I252 V256V31-V136 HydrophobicContact CG1-CG1 3.82Å; V93-V136 HydrophobicContact CG1-CG2 3.63Å; V94-V136 PolarHBondContact O-N 3.4Å; T95-V136 HydrophobicContact CG2-CB 4.16Å; T95-V136 HydrophobicContact CG2-CG2 4.35Å; L134-V136 HydrophobicContact CG-CG2 4.47Å; V136-I252 HydrophobicContact CG1-CD1 3.99Å; V136-I252 HydrophobicContact CG1-CG1 3.73Å; V136-V256 HydrophobicContact CG1-CG2 4.18Å; V136-V256 HydrophobicContact CG2-CG2 3.6Å
137S97.3Very high97.9Very high6 Ų618.9 Ų18.94%0.04210%0.101CC..SBendtrans-55.7140.5177.2-53.90000111.9V94 A96 V140V94-S137 PolarHBondContact O-N 2.99Å; V94-S137 VanDerWaalsContact O-N 3.16Å; V94-S137 PolarHBondContact O-OG 2.83Å; A96-S137 PolarHBondContact N-OG 3.09Å; A96-S137 WeakPolarHBondContact O-CB 3.24Å; A96-S137 PolarHBondContact O-OG 3.36Å; S137-V140 WeakPolarHBondContact O-CA 3.31Å; S137-V140 PolarHBondContact O-N 3.05Å
138N93.6Very high97.9Very high84 Ų8418 Ų1845%0.44910%0.097SC..SBendtrans-99.4147.7-177.6-79.3-51.7000113.5N113 V140 L143 H193N113-N138 PolarHBondContact ND2-O 3.34Å; N138-V140 PolarHBondContact OD1-N 3.4Å; N138-L143 WeakPolarHBondContact O-CD1 3.5Å; N138-H193 PolarHBondContact OD1-CD2 3.13Å; N138-H193 VanDerWaalsContact OD1-CD2 3.3Å
139P94.6Very high97.8Very high21 Ų2121.4 Ų21.414%0.13611%0.112CC..SBendcis-75.7118.5-0.827.6-30.7000112.1V110 D141 I142 L143V110-P139 HydrophobicContact CG2-CG 3.52Å; P139-D141 PolarHBondContact O-N 3.04Å; P139-I142 HydrophobicContact CG-CB 4.32Å; P139-I142 HydrophobicContact CG-CD1 4.14Å; P139-I142 PolarHBondContact O-N 3.38Å; P139-L143 WeakPolarHBondContact O-CG 3.23Å; P139-L143 PolarHBondContact O-N 3.38Å
140V97.3Very high97.9Very high1 Ų120.2 Ų20.21%0.00610%0.102CC..Hα-helixtrans-63.5-39.2-161.564.60000113.4V135 S137 N138 L143 T144 H193V135-V140 HydrophobicContact CG1-CG2 4.43Å; V135-V140 VanDerWaalsContact O-CG2 3.23Å; V135-V140 WeakPolarHBondContact O-CG2 3.39Å; S137-V140 WeakPolarHBondContact O-CA 3.31Å; S137-V140 PolarHBondContact O-N 3.05Å; N138-V140 PolarHBondContact OD1-N 3.4Å; V140-L143 PolarHBondContact O-N 3.04Å; V140-T144 VanDerWaalsContact O-CB 3.29Å; V140-T144 WeakPolarHBondContact O-CB 3.19Å; V140-T144 PolarHBondContact O-N 3.17Å; V140-T144 PolarHBondContact O-OG1 3Å; V140-H193 HydrophobicContact CG1-CB 3.56Å
141D97.9Very high97.9Very high4 Ų414.9 Ų14.92%0.0217%0.074CC..Hα-helixtrans-62.9-48.1-178.8-62.4-57.4000111.7P139 T144 Y145 H193 S274 F288 L323P139-D141 PolarHBondContact O-N 3.04Å; D141-T144 PolarHBondContact O-N 2.98Å; D141-Y145 PolarHBondContact O-N 3.31Å; D141-Y145 VanDerWaalsContact O-N 3.15Å; D141-H193 PolarHBondContact OD2-N 3.34Å; D141-S274 WeakPolarHBondContact OD1-CB 3.15Å; D141-S274 PolarHBondContact OD1-OG 3.35Å; D141-F288 WeakPolarHBondContact CB-O 3.29Å; D141-F288 WeakPolarHBondContact O-CB 3.06Å; D141-L323 HydrophobicContact CB-CD1 3.44Å; D141-L323 VanDerWaalsContact CB-CD1 3.44Å
142I97Very high97.9Very high0 Ų018.1 Ų18.10%011%0.108CC..Hα-helixtrans-67.4-43.4177.6-61.1170.8000110.8V110 P139 T144 Y145 V146 L323 V326 L330V110-I142 HydrophobicContact CG1-CG2 3.65Å; V110-I142 HydrophobicContact CG2-CD1 4.25Å; P139-I142 HydrophobicContact CG-CB 4.32Å; P139-I142 HydrophobicContact CG-CD1 4.14Å; P139-I142 PolarHBondContact O-N 3.38Å; I142-T144 PolarHBondContact O-N 3.16Å; I142-Y145 WeakPolarHBondContact O-CB 3.34Å; I142-Y145 PolarHBondContact O-N 3.47Å; I142-V146 HydrophobicContact CG2-CG2 4.36Å; I142-V146 VanDerWaalsContact O-CG2 3.29Å; I142-V146 WeakPolarHBondContact O-CG2 3.39Å; I142-V146 PolarHBondContact O-N 3.46Å; I142-L323 HydrophobicContact CD1-CD2 4Å; I142-L323 HydrophobicContact CG1-CD2 3.98Å; I142-V326 HydrophobicContact CD1-CB 3.95Å; I142-V326 HydrophobicContact CD1-CG1 3.77Å; I142-L330 HydrophobicContact CG2-CD1 3.57Å
143L98Very high97.9Very high0 Ų018.4 Ų18.40%011%0.109CC..Hα-helixtrans-69.6-23.6179.9-65.5-174.6000112.7N113 F117 V135 N138 P139 V140 A147N113-L143 HydrophobicContact CB-CD1 3.81Å; N113-L143 HydrophobicContact CB-CD2 3.64Å; N113-L143 HydrophobicContact CB-CG 4.37Å; F117-L143 HydrophobicContact CE1-CD1 4.38Å; F117-L143 HydrophobicContact CE2-CB 3.98Å; F117-L143 WeakPolarHBondContact CE2-O 3.46Å; F117-L143 HydrophobicContact CZ-CB 4.12Å; F117-L143 HydrophobicContact CZ-CD1 4.28Å; V135-L143 HydrophobicContact CG1-CB 4.08Å; N138-L143 WeakPolarHBondContact O-CD1 3.5Å; P139-L143 WeakPolarHBondContact O-CG 3.23Å; P139-L143 PolarHBondContact O-N 3.38Å; V140-L143 PolarHBondContact O-N 3.04Å; L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.23Å; L143-A147 PolarHBondContact O-N 3.11Å
144T98.8Very high97.8Very high0 Ų021 Ų210%013%0.126CC..Hα-helixtrans-69.5-44.4170-55.10000110.7V140 D141 I142 V146 A147 W148 V158 G160 F288V140-T144 VanDerWaalsContact O-CB 3.29Å; V140-T144 WeakPolarHBondContact O-CB 3.19Å; V140-T144 PolarHBondContact O-N 3.17Å; V140-T144 PolarHBondContact O-OG1 3Å; D141-T144 PolarHBondContact O-N 2.98Å; I142-T144 PolarHBondContact O-N 3.16Å; T144-V146 VanDerWaalsContact C-N 3.34Å; T144-V146 PolarHBondContact O-N 3.39Å; T144-A147 PolarHBondContact O-N 3.17Å; T144-W148 WeakPolarHBondContact O-CB 3.32Å; T144-W148 PolarHBondContact O-N 3.21Å; T144-V158 HydrophobicContact CG2-CG1 3.96Å; T144-G160 WeakPolarHBondContact OG1-CA 3.2Å; T144-F288 HydrophobicContact CG2-CD1 3.4Å; T144-F288 HydrophobicContact CG2-CE1 3.63Å; T144-F288 HydrophobicContact CG2-CG 4.33Å
145Y98.4Very high97.7Very high24 Ų2426.5 Ų26.59%0.09415%0.147CC..Hα-helixtrans-57.3-46.7170.9169.1-92.9000111.9D141 I142 W148 K149 E286 F288 Q327 L332D141-Y145 PolarHBondContact O-N 3.31Å; D141-Y145 VanDerWaalsContact O-N 3.15Å; I142-Y145 WeakPolarHBondContact O-CB 3.34Å; I142-Y145 PolarHBondContact O-N 3.47Å; Y145-W148 AromaticContact CD2-CE3 3.92Å; Y145-W148 HydrophobicContact CD2-CE3 3.92Å; Y145-W148 HydrophobicContact CD2-CZ3 4.11Å; Y145-W148 HydrophobicContact CE2-CE3 4.15Å; Y145-W148 AromaticContact CE2-CZ3 3.98Å; Y145-W148 HydrophobicContact CE2-CZ3 3.98Å; Y145-W148 WeakPolarHBondContact O-CB 3.47Å; Y145-W148 PolarHBondContact O-N 3.03Å; Y145-K149 HydrophobicContact CD1-CG 4.38Å; Y145-K149 HydrophobicContact CD2-CG 4.42Å; Y145-K149 HydrophobicContact CE1-CG 3.9Å; Y145-K149 HydrophobicContact CE2-CD 4.26Å; Y145-K149 HydrophobicContact CE2-CG 3.97Å; Y145-K149 VanDerWaalsContact CZ-CE 3.41Å; Y145-K149 WeakPolarHBondContact O-CG 3.4Å; Y145-K149 PolarHBondContact O-N 3.45Å; Y145-K149 VanDerWaalsContact OH-CE 3.24Å; Y145-K149 WeakPolarHBondContact OH-CE 3.48Å; Y145-E286 HydrophobicContact CE2-CB 4.41Å; Y145-F288 HydrophobicContact CD2-CD2 4.07Å; Y145-F288 HydrophobicContact CD2-CE2 4.2Å; Y145-F288 HydrophobicContact CG-CD2 4.43Å; Y145-Q327 HydrophobicContact CD1-CG 3.65Å; Y145-Q327 HydrophobicContact CE1-CG 3.54Å; Y145-Q327 HydrophobicContact CE2-CG 4.46Å; Y145-Q327 HydrophobicContact CG-CG 4.18Å; Y145-L332 HydrophobicContact CE1-CD1 4.07Å
146V98.3Very high97.7Very high0 Ų029.9 Ų29.90%016%0.162CC..Hα-helixtrans-61.9-46.4178.7172.80000110.8V114 F117 I142 T144 W148 K149 L150 L330 L332V114-V146 HydrophobicContact CB-CG1 4.45Å; V114-V146 HydrophobicContact CG1-CG1 4.26Å; V114-V146 HydrophobicContact CG2-CG1 4.15Å; V114-V146 HydrophobicContact CG2-CG2 3.75Å; F117-V146 HydrophobicContact CB-CG1 4.08Å; F117-V146 HydrophobicContact CD2-CG1 4.3Å; I142-V146 HydrophobicContact CG2-CG2 4.36Å; I142-V146 VanDerWaalsContact O-CG2 3.29Å; I142-V146 WeakPolarHBondContact O-CG2 3.39Å; I142-V146 PolarHBondContact O-N 3.46Å; T144-V146 VanDerWaalsContact C-N 3.34Å; T144-V146 PolarHBondContact O-N 3.39Å; V146-W148 VanDerWaalsContact C-N 3.28Å; V146-W148 PolarHBondContact O-N 2.99Å; V146-K149 PolarHBondContact O-N 2.83Å; V146-L150 HydrophobicContact CG1-CD1 3.61Å; V146-L150 HydrophobicContact CG1-CG 4.21Å; V146-L150 WeakPolarHBondContact O-CB 3.4Å; V146-L150 VanDerWaalsContact O-CG 3.29Å; V146-L150 WeakPolarHBondContact O-CG 3.46Å; V146-L150 PolarHBondContact O-N 3.21Å; V146-L330 HydrophobicContact CG2-CD1 4.06Å; V146-L332 HydrophobicContact CB-CD2 4.28Å; V146-L332 HydrophobicContact CG1-CD2 4.04Å; V146-L332 HydrophobicContact CG2-CD2 3.92Å
147A98.7Very high97.7Very high0 Ų031.7 Ų31.70%017%0.168CC..Hα-helixtrans-60.4-38.5175.300000112F117 I121 V135 L143 T144 S151 V158F117-A147 HydrophobicContact CD2-CB 4.09Å; F117-A147 HydrophobicContact CE2-CB 4.01Å; I121-A147 HydrophobicContact CD1-CB 3.86Å; I121-A147 HydrophobicContact CG1-CB 4.21Å; V135-A147 HydrophobicContact CG2-CB 3.75Å; L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.23Å; L143-A147 PolarHBondContact O-N 3.11Å; T144-A147 PolarHBondContact O-N 3.17Å; A147-S151 WeakPolarHBondContact O-CB 3.45Å; A147-S151 PolarHBondContact O-N 3.39Å; A147-S151 PolarHBondContact O-OG 2.95Å; A147-V158 HydrophobicContact CB-CG1 4.1Å
148W98.7Very high97.8Very high37 Ų3731.4 Ų31.414%0.1417%0.167CC..Hα-helixtrans-62.7-49.5176.1171.355.6000111.7T144 Y145 V146 S151 G152 F153 V158 L276 E286 F288T144-W148 WeakPolarHBondContact O-CB 3.32Å; T144-W148 PolarHBondContact O-N 3.21Å; Y145-W148 AromaticContact CD2-CE3 3.92Å; Y145-W148 HydrophobicContact CD2-CE3 3.92Å; Y145-W148 HydrophobicContact CD2-CZ3 4.11Å; Y145-W148 HydrophobicContact CE2-CE3 4.15Å; Y145-W148 AromaticContact CE2-CZ3 3.98Å; Y145-W148 HydrophobicContact CE2-CZ3 3.98Å; Y145-W148 WeakPolarHBondContact O-CB 3.47Å; Y145-W148 PolarHBondContact O-N 3.03Å; V146-W148 VanDerWaalsContact C-N 3.28Å; V146-W148 PolarHBondContact O-N 2.99Å; W148-S151 PolarHBondContact O-N 2.94Å; W148-S151 PolarHBondContact O-OG 3.38Å; W148-S151 VanDerWaalsContact O-OG 3.12Å; W148-G152 PolarHBondContact O-N 3.08Å; W148-F153 VanDerWaalsContact CD1-O 3.22Å; W148-F153 PolarHBondContact NE1-O 3Å; W148-F153 VanDerWaalsContact NE1-O 3.15Å; W148-V158 HydrophobicContact CB-CB 4.17Å; W148-V158 HydrophobicContact CB-CG1 3.97Å; W148-V158 HydrophobicContact CB-CG2 4.31Å; W148-L276 HydrophobicContact CH2-CD2 4.27Å; W148-E286 WeakPolarHBondContact CH2-OE1 3.06Å; W148-F288 HydrophobicContact CB-CE2 4.34Å; W148-F288 HydrophobicContact CB-CZ 3.88Å; W148-F288 HydrophobicContact CD2-CE2 4.01Å; W148-F288 AromaticContact CD2-CZ 3.98Å; W148-F288 HydrophobicContact CD2-CZ 3.98Å; W148-F288 AromaticContact CE3-CE2 3.56Å; W148-F288 HydrophobicContact CE3-CE2 3.56Å; W148-F288 HydrophobicContact CE3-CZ 4.03Å; W148-F288 HydrophobicContact CG-CE2 4.34Å; W148-F288 AromaticContact CG-CZ 3.91Å; W148-F288 HydrophobicContact CG-CZ 3.91Å; W148-F288 HydrophobicContact CZ3-CE2 4.14Å
149K98.1Very high98.1Very high72 Ų7227.5 Ų27.531%0.31315%0.145SC..Hα-helixtrans-64.2-42178.4-66.1-59.9-168.9-1720112.7Y145 V146 E286 L332Y145-K149 HydrophobicContact CD1-CG 4.38Å; Y145-K149 HydrophobicContact CD2-CG 4.42Å; Y145-K149 HydrophobicContact CE1-CG 3.9Å; Y145-K149 HydrophobicContact CE2-CD 4.26Å; Y145-K149 HydrophobicContact CE2-CG 3.97Å; Y145-K149 VanDerWaalsContact CZ-CE 3.41Å; Y145-K149 WeakPolarHBondContact O-CG 3.4Å; Y145-K149 PolarHBondContact O-N 3.45Å; Y145-K149 VanDerWaalsContact OH-CE 3.24Å; Y145-K149 WeakPolarHBondContact OH-CE 3.48Å; V146-K149 PolarHBondContact O-N 2.83Å; K149-E286 IonicContact NZ-OE1 2.69Å; K149-E286 IonicContact NZ-OE2 3.84Å; K149-E286 PolarHBondContact NZ-OE2 3.25Å; K149-L332 HydrophobicContact CB-CD1 3.73Å; K149-L332 HydrophobicContact CG-CD1 3.77Å
150L98.3Very high98.3Very high39 Ų3926.5 Ų26.520%0.20414%0.139CC..Hα-helixtrans-74.4-28.5-179.2-67.9175.5000113.7F117 K118 I121 V146F117-L150 HydrophobicContact CB-CD1 3.82Å; K118-L150 HydrophobicContact CG-CD1 4.17Å; K118-L150 HydrophobicContact CG-CD2 4.12Å; I121-L150 HydrophobicContact CB-CB 4.09Å; I121-L150 HydrophobicContact CG2-CB 3.93Å; V146-L150 HydrophobicContact CG1-CD1 3.61Å; V146-L150 HydrophobicContact CG1-CG 4.21Å; V146-L150 WeakPolarHBondContact O-CB 3.4Å; V146-L150 VanDerWaalsContact O-CG 3.29Å; V146-L150 WeakPolarHBondContact O-CG 3.46Å; V146-L150 PolarHBondContact O-N 3.21Å
151S98.4Very high98.3Very high11 Ų1126.6 Ų26.68%0.07714%0.14CC..Hα-helixtrans-82-28.1-178.559.80000113.6A147 W148 F153A147-S151 WeakPolarHBondContact O-CB 3.45Å; A147-S151 PolarHBondContact O-N 3.39Å; A147-S151 PolarHBondContact O-OG 2.95Å; W148-S151 PolarHBondContact O-N 2.94Å; W148-S151 PolarHBondContact O-OG 3.38Å; W148-S151 VanDerWaalsContact O-OG 3.12Å; S151-F153 PolarHBondContact O-N 3.24Å; S151-F153 PolarHBondContact OG-N 3.38Å
152G98.3Very high98.3Very high69 Ų6926.5 Ų26.571%0.71114%0.14SC*.  trans65.413.1-169.100000113.4W148W148-G152 PolarHBondContact O-N 3.08Å
153F98.6Very high98.4Very high11 Ų1126.5 Ų26.55%0.04814%0.14CC..  trans-71.8152.5178.1-80.25.4000111.7V125 P129 C131 L133 W148 S151 R157 V158V125-F153 HydrophobicContact CB-CE1 4.25Å; V125-F153 HydrophobicContact CB-CZ 4.45Å; V125-F153 HydrophobicContact CG1-CD1 4.48Å; V125-F153 HydrophobicContact CG1-CE1 3.72Å; V125-F153 HydrophobicContact CG1-CZ 4.33Å; V125-F153 HydrophobicContact CG2-CD1 4.27Å; V125-F153 HydrophobicContact CG2-CE1 3.74Å; V125-F153 HydrophobicContact CG2-CE2 4.43Å; V125-F153 HydrophobicContact CG2-CZ 3.83Å; P129-F153 WeakPolarHBondContact O-CE1 3.31Å; P129-F153 WeakPolarHBondContact O-CZ 3.12Å; C131-F153 VanDerWaalsContact O-CE2 3.23Å; C131-F153 WeakPolarHBondContact O-CE2 3.47Å; L133-F153 HydrophobicContact CD1-CD2 4.14Å; L133-F153 HydrophobicContact CD1-CE2 4.36Å; L133-F153 HydrophobicContact CG-CD2 4.16Å; L133-F153 HydrophobicContact CG-CE2 4.12Å; W148-F153 VanDerWaalsContact CD1-O 3.22Å; W148-F153 PolarHBondContact NE1-O 3Å; W148-F153 VanDerWaalsContact NE1-O 3.15Å; S151-F153 PolarHBondContact O-N 3.24Å; S151-F153 PolarHBondContact OG-N 3.38Å; F153-R157 HydrophobicContact CB-CB 4.47Å; F153-R157 HydrophobicContact CD2-CB 4.13Å; F153-R157 VanDerWaalsContact CE1-NH2 3.29Å; F153-V158 HydrophobicContact CB-CG2 3.73Å; F153-V158 HydrophobicContact CD2-CG2 4.34Å
154P98.3Very high98.5Very high56 Ų5627.2 Ų27.236%0.36414%0.144SC..  trans-61.6143.716730.4-36.6000109.4H156 R157P154-H156 WeakPolarHBondContact CG-NE2 3.48Å; P154-H156 PolarHBondContact O-N 3.43Å; P154-R157 HydrophobicContact CG-CG 4.14Å; P154-R157 PolarHBondContact O-N 3.23Å
155R96.7Very high98.4Very high115 Ų11528 Ų2843%0.43415%0.148SC..G310 helixtrans-51.8-33.7-171.969.1177-175156.2-0.9113.9R157 V158R155-R157 PolarHBondContact O-N 3.16Å; R155-V158 PolarHBondContact O-N 2.96Å
156H98.4Very high98.4Very high71 Ų7127.1 Ų27.133%0.32915%0.145SC..G310 helixtrans-67.5-15.1-178.368.890.6000114.2P154 S298 G299 L300P154-H156 WeakPolarHBondContact CG-NE2 3.48Å; P154-H156 PolarHBondContact O-N 3.43Å; H156-S298 PolarHBondContact ND1-O 2.92Å; H156-G299 CarbonylContact O-C 3.16Å; H156-G299 WeakPolarHBondContact O-CA 3.34Å; H156-L300 HydrophobicContact CB-CB 4.46Å; H156-L300 VanDerWaalsContact CB-O 3.22Å; H156-L300 WeakPolarHBondContact CB-O 3.28Å; H156-L300 PolarHBondContact O-N 3.03Å
157R98.8Very high98.4Very high44 Ų4427.4 Ų27.417%0.16615%0.147CC..G310 helixtrans-100.16.4176.6-62.1-164.8-55.9174.17.3113.8P129 I132 L133 F153 P154 R155P129-R157 PolarHBondContact O-NH1 2.88Å; P129-R157 PolarHBondContact O-NH2 3.36Å; P129-R157 VanDerWaalsContact O-NH2 3.1Å; I132-R157 WeakPolarHBondContact CA-O 3.11Å; I132-R157 HydrophobicContact CG1-CB 4.38Å; I132-R157 HydrophobicContact CG1-CG 4.32Å; L133-R157 PolarHBondContact N-O 3.42Å; F153-R157 HydrophobicContact CB-CB 4.47Å; F153-R157 HydrophobicContact CD2-CB 4.13Å; F153-R157 VanDerWaalsContact CE1-NH2 3.29Å; P154-R157 HydrophobicContact CG-CG 4.14Å; P154-R157 PolarHBondContact O-N 3.23Å; R155-R157 PolarHBondContact O-N 3.16Å
158V98.8Very high98.4Very high1 Ų129.8 Ų29.81%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-125.5107.4177.9-170.20000108.6L133 T144 A147 W148 F153 R155L133-V158 HydrophobicContact CB-CG1 4.33Å; L133-V158 HydrophobicContact CD1-CG2 4.23Å; T144-V158 HydrophobicContact CG2-CG1 3.96Å; A147-V158 HydrophobicContact CB-CG1 4.1Å; W148-V158 HydrophobicContact CB-CB 4.17Å; W148-V158 HydrophobicContact CB-CG1 3.97Å; W148-V158 HydrophobicContact CB-CG2 4.31Å; F153-V158 HydrophobicContact CB-CG2 3.73Å; F153-V158 HydrophobicContact CD2-CG2 4.34Å; R155-V158 PolarHBondContact O-N 2.96Å
159I98.9Very high98.4Very high1 Ų130 Ų301%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-124.9132.4-170-55.6167.6000107.7I132 L133 L134 V135 I263 V273 L295 L300I132-I159 HydrophobicContact CG2-CD1 3.78Å; I132-I159 HydrophobicContact CG2-CG1 4.42Å; L133-I159 PolarHBondContact O-N 2.74Å; L134-I159 CarbonylContact C-O 3.59Å; L134-I159 VanDerWaalsContact CA-O 3.31Å; L134-I159 WeakPolarHBondContact CA-O 3.29Å; L134-I159 HydrophobicContact CD1-CB 4.37Å; L134-I159 HydrophobicContact CD1-CG2 4.17Å; V135-I159 PolarHBondContact N-O 3.09Å; I159-I263 HydrophobicContact CD1-CD1 4.26Å; I159-V273 HydrophobicContact CG2-CB 3.81Å; I159-V273 HydrophobicContact CG2-CG1 4.28Å; I159-V273 HydrophobicContact CG2-CG2 3.87Å; I159-L295 HydrophobicContact CD1-CD2 3.84Å; I159-L300 HydrophobicContact CD1-CB 4.49Å
160G98.9Very high98.4Very high0 Ų026.6 Ų26.60%015%0.152CC..EExtended strand (participates in β ladder)trans-95.1146.2168.800000110.9V135 T144 G162 V273 S274V135-G160 CarbonylContact O-C 3.59Å; V135-G160 WeakPolarHBondContact O-CA 3.43Å; T144-G160 WeakPolarHBondContact OG1-CA 3.2Å; G160-G162 PolarHBondContact O-N 3.47Å; G160-G162 VanDerWaalsContact O-N 3.11Å; G160-V273 WeakPolarHBondContact O-CB 3.36Å; G160-S274 PolarHBondContact N-O 3.39Å; G160-S274 PolarHBondContact O-N 2.8Å
161S98.8Very high98.4Very high4 Ų428.3 Ų28.33%0.02816%0.156CC..  trans-56.5-29.7176.163.30000112.5V135 N164V135-S161 PolarHBondContact O-N 3.36Å; S161-N164 WeakPolarHBondContact O-CB 3.42Å; S161-N164 PolarHBondContact O-N 3.45Å
162G98.3Very high98.4Very high2 Ų232.1 Ų32.12%0.02117%0.172CC..THydrogen-bonded Turntrans54.5-142.3169.800000113.2G160 N164 S290G160-G162 PolarHBondContact O-N 3.47Å; G160-G162 VanDerWaalsContact O-N 3.11Å; G162-N164 VanDerWaalsContact C-N 3.28Å; G162-N164 PolarHBondContact O-N 2.97Å; G162-S290 WeakPolarHBondContact CA-OG 3.24Å
163T98.6Very high98.4Very high0 Ų030.4 Ų30.40%015%0.147CC..THydrogen-bonded Turntrans-88.118.9-178.859.10000113.7L165 D166 S167 I189 H193 P272 S290T163-L165 VanDerWaalsContact C-N 3.34Å; T163-L165 PolarHBondContact O-N 3.26Å; T163-D166 PolarHBondContact O-N 2.91Å; T163-S167 WeakPolarHBondContact O-CB 3.32Å; T163-S167 PolarHBondContact O-N 3.41Å; T163-S167 PolarHBondContact O-OG 3.37Å; T163-S167 VanDerWaalsContact O-OG 3.08Å; T163-I189 VanDerWaalsContact CB-O 3.24Å; T163-I189 WeakPolarHBondContact CB-O 3.36Å; T163-I189 HydrophobicContact CG2-CG2 4.09Å; T163-I189 PolarHBondContact OG1-O 3.11Å; T163-H193 HydrophobicContact CG2-CB 4.43Å; T163-P272 CarbonylContact C-O 3.54Å; T163-S290 PolarHBondContact N-OG 3.22Å; T163-S290 WeakPolarHBondContact OG1-CB 3.32Å
164N98.8Very high98.4Very high15 Ų1529.9 Ų29.98%0.0815%0.145CC..Hα-helixtrans-60.6-44.8177.4-170.855.4000111.1S161 G162 A168 S255 L259 P272 V273S161-N164 WeakPolarHBondContact O-CB 3.42Å; S161-N164 PolarHBondContact O-N 3.45Å; G162-N164 VanDerWaalsContact C-N 3.28Å; G162-N164 PolarHBondContact O-N 2.97Å; N164-A168 PolarHBondContact O-N 3.42Å; N164-A168 VanDerWaalsContact O-N 3.08Å; N164-S255 PolarHBondContact ND2-OG 3.04Å; N164-L259 HydrophobicContact CB-CD1 4.5Å; N164-L259 HydrophobicContact CB-CD2 4.5Å; N164-P272 WeakPolarHBondContact CA-O 3.24Å; N164-P272 PolarHBondContact N-O 2.91Å; N164-P272 WeakPolarHBondContact OD1-CD 3.41Å; N164-V273 HydrophobicContact CB-CG1 4.46Å
165L98.4Very high98.3Very high16 Ų1627.4 Ų27.48%0.08413%0.129CC..Hα-helixtrans-69.5-37.9175.5176.758.9000112.2T163 A168 R169 A251 I252T163-L165 VanDerWaalsContact C-N 3.34Å; T163-L165 PolarHBondContact O-N 3.26Å; L165-A168 WeakPolarHBondContact O-CB 3.48Å; L165-A168 PolarHBondContact O-N 3.49Å; L165-R169 HydrophobicContact CD1-CG 4.4Å; L165-R169 WeakPolarHBondContact O-CG 3.46Å; L165-R169 PolarHBondContact O-N 2.88Å; L165-A251 HydrophobicContact CD1-CB 3.7Å; L165-A251 HydrophobicContact CD2-CB 4.46Å; L165-I252 HydrophobicContact CD2-CB 3.96Å; L165-I252 HydrophobicContact CD2-CD1 4.21Å
166D98.2Very high98.4Very high6 Ų627.2 Ų27.23%0.03213%0.133CC..Hα-helixtrans-66.4-40.7179.7-58.3-35.5000111.1T163 A168 R169 F170 I189 H193 V234T163-D166 PolarHBondContact O-N 2.91Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 PolarHBondContact O-N 3.2Å; D166-R169 WeakPolarHBondContact O-CB 3.33Å; D166-R169 PolarHBondContact O-N 2.8Å; D166-R169 IonicContact OD1-NH1 2.78Å; D166-R169 PolarHBondContact OD1-NH1 2.92Å; D166-F170 WeakPolarHBondContact O-CB 3.23Å; D166-F170 PolarHBondContact O-N 3.11Å; D166-I189 HydrophobicContact CB-CB 4.14Å; D166-I189 HydrophobicContact CB-CG1 4.39Å; D166-I189 HydrophobicContact CB-CG2 3.97Å; D166-H193 IonicContact OD1-CE1 2.64Å; D166-H193 IonicContact OD1-ND1 3.72Å; D166-H193 IonicContact OD2-CE1 2.82Å; D166-H193 PolarHBondContact OD2-CE1 3.32Å; D166-H193 IonicContact OD2-CG 3.09Å; D166-H193 IonicContact OD2-ND1 3.71Å; D166-H193 PolarHBondContact OD2-ND1 3.28Å; D166-V234 HydrophobicContact CB-CG1 3.65Å; D166-V234 WeakPolarHBondContact O-CG1 3.4Å
167S98.6Very high98.3Very high5 Ų527.7 Ų27.74%0.03513%0.134CC..Hα-helixtrans-63.4-38.4171.9-63.50000111.8T163 F170 R171 I189 P272T163-S167 WeakPolarHBondContact O-CB 3.32Å; T163-S167 PolarHBondContact O-N 3.41Å; T163-S167 PolarHBondContact O-OG 3.37Å; T163-S167 VanDerWaalsContact O-OG 3.08Å; S167-F170 PolarHBondContact O-N 3.31Å; S167-R171 WeakPolarHBondContact O-CB 3.46Å; S167-R171 WeakPolarHBondContact O-CD 3.32Å; S167-R171 WeakPolarHBondContact O-CG 3.38Å; S167-R171 PolarHBondContact O-N 2.8Å; S167-I189 PolarHBondContact OG-N 3.35Å; S167-I189 PolarHBondContact OG-O 2.87Å; S167-I189 VanDerWaalsContact OG-O 3.12Å; S167-P272 VanDerWaalsContact OG-CG 3.25Å; S167-P272 WeakPolarHBondContact OG-CG 3.24Å
168A98.5Very high98.1Very high50 Ų5029.2 Ų29.241%0.41314%0.142SC..Hα-helixtrans-63.9-41.9174.100000112.3N164 L165 D166 R171 H172N164-A168 PolarHBondContact O-N 3.42Å; N164-A168 VanDerWaalsContact O-N 3.08Å; L165-A168 WeakPolarHBondContact O-CB 3.48Å; L165-A168 PolarHBondContact O-N 3.49Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 PolarHBondContact O-N 3.2Å; A168-R171 PolarHBondContact O-N 2.8Å; A168-H172 WeakPolarHBondContact O-CB 3.49Å; A168-H172 PolarHBondContact O-N 3.18Å
169R98.1Very high98.1Very high42 Ų4237.5 Ų37.516%0.15818%0.181CC..Hα-helixtrans-63.4-43.5173.9-73.2169.4171.3160.7-8.4111.8L165 D166 R171 H172 L173 V234L165-R169 HydrophobicContact CD1-CG 4.4Å; L165-R169 WeakPolarHBondContact O-CG 3.46Å; L165-R169 PolarHBondContact O-N 2.88Å; D166-R169 WeakPolarHBondContact O-CB 3.33Å; D166-R169 PolarHBondContact O-N 2.8Å; D166-R169 IonicContact OD1-NH1 2.78Å; D166-R169 PolarHBondContact OD1-NH1 2.92Å; R169-R171 VanDerWaalsContact C-N 3.35Å; R169-R171 PolarHBondContact O-N 3.11Å; R169-H172 WeakPolarHBondContact O-CB 3.31Å; R169-H172 PolarHBondContact O-N 3.35Å; R169-H172 VanDerWaalsContact O-N 3.16Å; R169-L173 WeakPolarHBondContact O-CG 3.4Å; R169-L173 PolarHBondContact O-N 3.08Å; R169-V234 HydrophobicContact CB-CG1 4.2Å; R169-V234 HydrophobicContact CB-CG2 4.13Å
170F98.4Very high98Very high0 Ų041 Ų410%020%0.199CC..Hα-helixtrans-58.3-48.8177.3-173-112.3000111D166 S167 H172 L173 M174 I189 W201 V204 V230 V234D166-F170 WeakPolarHBondContact O-CB 3.23Å; D166-F170 PolarHBondContact O-N 3.11Å; S167-F170 PolarHBondContact O-N 3.31Å; F170-H172 VanDerWaalsContact C-N 3.3Å; F170-H172 PolarHBondContact O-N 3.34Å; F170-L173 PolarHBondContact O-N 2.91Å; F170-M174 HydrophobicContact CD1-CG 4.49Å; F170-M174 HydrophobicContact CD1-SD 3.81Å; F170-M174 HydrophobicContact CE1-CG 4.31Å; F170-M174 HydrophobicContact CE1-SD 3.56Å; F170-M174 VanDerWaalsContact CE1-SD 3.56Å; F170-M174 HydrophobicContact CZ-SD 4.26Å; F170-M174 VanDerWaalsContact O-CG 3.32Å; F170-M174 WeakPolarHBondContact O-CG 3.35Å; F170-M174 PolarHBondContact O-N 2.87Å; F170-I189 HydrophobicContact CB-CD1 4.13Å; F170-I189 HydrophobicContact CB-CG1 3.82Å; F170-I189 HydrophobicContact CD1-CD1 4.3Å; F170-I189 HydrophobicContact CD2-CD1 3.9Å; F170-I189 HydrophobicContact CE2-CD1 4.39Å; F170-I189 HydrophobicContact CG-CD1 3.85Å; F170-I189 HydrophobicContact CG-CG1 4.08Å; F170-W201 AromaticContact CE2-CH2 3.65Å; F170-W201 HydrophobicContact CE2-CH2 3.65Å; F170-W201 AromaticContact CE2-CZ3 3.82Å; F170-W201 HydrophobicContact CE2-CZ3 3.82Å; F170-W201 HydrophobicContact CZ-CE3 4.12Å; F170-W201 AromaticContact CZ-CH2 3.8Å; F170-W201 HydrophobicContact CZ-CH2 3.8Å; F170-W201 AromaticContact CZ-CZ3 3.47Å; F170-W201 HydrophobicContact CZ-CZ3 3.47Å; F170-W201 VanDerWaalsContact CZ-CZ3 3.47Å; F170-V204 HydrophobicContact CE1-CG2 3.91Å; F170-V204 HydrophobicContact CZ-CG2 4.18Å; F170-V230 HydrophobicContact CD2-CG1 3.77Å; F170-V230 HydrophobicContact CE2-CB 4.33Å; F170-V230 HydrophobicContact CE2-CG1 3.72Å; F170-V234 HydrophobicContact CB-CG2 3.8Å; F170-V234 HydrophobicContact CD2-CG2 4Å; F170-V234 HydrophobicContact CG-CG2 4.42Å
171R98.6Very high98Very high75 Ų7547.3 Ų47.328%0.28323%0.228SC..Hα-helixtrans-64.9-32.2176.7-66.8168.766.5-174.46.4112.8S167 A168 R169 G175 P182 A183 C185S167-R171 WeakPolarHBondContact O-CB 3.46Å; S167-R171 WeakPolarHBondContact O-CD 3.32Å; S167-R171 WeakPolarHBondContact O-CG 3.38Å; S167-R171 PolarHBondContact O-N 2.8Å; A168-R171 PolarHBondContact O-N 2.8Å; R169-R171 VanDerWaalsContact C-N 3.35Å; R169-R171 PolarHBondContact O-N 3.11Å; R171-G175 PolarHBondContact O-N 2.85Å; R171-P182 HydrophobicContact CB-CB 4.28Å; R171-P182 PolarHBondContact NE-O 3.37Å; R171-P182 PolarHBondContact NH2-O 3.23Å; R171-P182 VanDerWaalsContact NH2-O 3.15Å; R171-A183 PolarHBondContact NH2-O 2.87Å; R171-A183 VanDerWaalsContact NH2-O 3.17Å; R171-C185 WeakPolarHBondContact CG-O 3.42Å; R171-C185 PolarHBondContact NE-O 3.43Å; R171-C185 PolarHBondContact NH2-O 3.3Å
172H98.4Very high98Very high91 Ų9148.9 Ų48.942%0.42124%0.238SC..Hα-helixtrans-64-51.7173.1170.259.7000111.9A168 R169 F170 M174 G175 E176 P182A168-H172 WeakPolarHBondContact O-CB 3.49Å; A168-H172 PolarHBondContact O-N 3.18Å; R169-H172 WeakPolarHBondContact O-CB 3.31Å; R169-H172 PolarHBondContact O-N 3.35Å; R169-H172 VanDerWaalsContact O-N 3.16Å; F170-H172 VanDerWaalsContact C-N 3.3Å; F170-H172 PolarHBondContact O-N 3.34Å; H172-M174 VanDerWaalsContact C-N 3.32Å; H172-M174 PolarHBondContact O-N 3.24Å; H172-G175 CarbonylContact O-C 3.56Å; H172-G175 WeakPolarHBondContact O-CA 3.49Å; H172-G175 PolarHBondContact O-N 3.45Å; H172-E176 IonicContact CE1-OE1 3.68Å; H172-E176 IonicContact NE2-OE1 2.7Å; H172-E176 IonicContact NE2-OE2 3.35Å; H172-E176 PolarHBondContact O-N 3.08Å; H172-P182 HydrophobicContact CB-CG 4.31Å
173L97.8Very high98Very high34 Ų3451.4 Ų51.418%0.17826%0.259CS..Hα-helixtrans-63.9-36.1178.9-66170.8000112.3R169 F170 G175 E176 K177 V230 K233 V234R169-L173 WeakPolarHBondContact O-CG 3.4Å; R169-L173 PolarHBondContact O-N 3.08Å; F170-L173 PolarHBondContact O-N 2.91Å; L173-G175 VanDerWaalsContact C-N 3.35Å; L173-E176 PolarHBondContact O-N 3.19Å; L173-K177 PolarHBondContact O-N 3.26Å; L173-K177 VanDerWaalsContact O-N 3.1Å; L173-V230 HydrophobicContact CB-CG1 3.69Å; L173-V230 HydrophobicContact CD1-CG1 4.03Å; L173-K233 HydrophobicContact CD1-CB 3.72Å; L173-V234 HydrophobicContact CD1-CG2 3.86Å
174M97.6Very high98Very high0 Ų054.4 Ų54.40%028%0.28CS..Hα-helixtrans-58.2-47.9168.4-72.2176.269.300111.3F170 H172 E176 K177 F178 C185 V204 L211 W227F170-M174 HydrophobicContact CD1-CG 4.49Å; F170-M174 HydrophobicContact CD1-SD 3.81Å; F170-M174 HydrophobicContact CE1-CG 4.31Å; F170-M174 HydrophobicContact CE1-SD 3.56Å; F170-M174 VanDerWaalsContact CE1-SD 3.56Å; F170-M174 HydrophobicContact CZ-SD 4.26Å; F170-M174 VanDerWaalsContact O-CG 3.32Å; F170-M174 WeakPolarHBondContact O-CG 3.35Å; F170-M174 PolarHBondContact O-N 2.87Å; H172-M174 VanDerWaalsContact C-N 3.32Å; H172-M174 PolarHBondContact O-N 3.24Å; M174-E176 VanDerWaalsContact C-N 3.31Å; M174-E176 PolarHBondContact O-N 2.97Å; M174-K177 PolarHBondContact O-N 2.85Å; M174-F178 VanDerWaalsContact O-CD2 3.31Å; M174-F178 WeakPolarHBondContact O-CD2 3.48Å; M174-F178 PolarHBondContact O-N 3.39Å; M174-C185 HydrophobicContact CB-CB 4Å; M174-C185 HydrophobicContact CE-CB 4.02Å; M174-C185 HydrophobicContact SD-CB 4.37Å; M174-V204 HydrophobicContact CE-CG1 3.3Å; M174-V204 HydrophobicContact SD-CG1 4Å; M174-L211 HydrophobicContact CE-CD1 4.06Å; M174-W227 HydrophobicContact CG-CH2 4.43Å; M174-W227 HydrophobicContact CG-CZ3 3.88Å
175G98Very high98Very high4 Ų453.7 Ų53.74%0.04128%0.276CS..Hα-helixtrans-60.1-38.8178.200000112.8R171 H172 L173 F178 H179 L180R171-G175 PolarHBondContact O-N 2.85Å; H172-G175 CarbonylContact O-C 3.56Å; H172-G175 WeakPolarHBondContact O-CA 3.49Å; H172-G175 PolarHBondContact O-N 3.45Å; L173-G175 VanDerWaalsContact C-N 3.35Å; G175-F178 PolarHBondContact O-N 2.83Å; G175-H179 CarbonylContact O-C 3.58Å; G175-H179 WeakPolarHBondContact O-CA 3.38Å; G175-H179 PolarHBondContact O-N 3.47Å; G175-L180 CarbonylContact C-O 3.52Å; G175-L180 WeakPolarHBondContact CA-O 3.48Å; G175-L180 PolarHBondContact O-N 3.32Å
176E97.5Very high98Very high111 Ų11156.3 Ų56.352%0.51929%0.288SS..Hα-helixtrans-63.1-44.3173.7-68.3-165.8127.700112H172 L173 M174 F178 H179H172-E176 IonicContact CE1-OE1 3.68Å; H172-E176 IonicContact NE2-OE1 2.7Å; H172-E176 IonicContact NE2-OE2 3.35Å; H172-E176 PolarHBondContact O-N 3.08Å; L173-E176 PolarHBondContact O-N 3.19Å; M174-E176 VanDerWaalsContact C-N 3.31Å; M174-E176 PolarHBondContact O-N 2.97Å; E176-F178 VanDerWaalsContact C-N 3.33Å; E176-F178 PolarHBondContact O-N 3.47Å; E176-H179 PolarHBondContact O-N 3.39Å
177K96Very high98Very high80 Ų8056.1 Ų56.135%0.34829%0.287SS..Hα-helixtrans-67.2-32.5-179.6-168165.6177.1-178.30113L173 M174 E225 W227L173-K177 PolarHBondContact O-N 3.26Å; L173-K177 VanDerWaalsContact O-N 3.1Å; M174-K177 PolarHBondContact O-N 2.85Å; K177-E225 PolarHBondContact NZ-O 3.47Å; K177-E225 IonicContact NZ-OE2 3.76Å; K177-W227 HydrophobicContact CB-CH2 4.41Å; K177-W227 HydrophobicContact CD-CH2 3.67Å; K177-W227 HydrophobicContact CD-CZ2 3.61Å; K177-W227 HydrophobicContact CD-CZ3 4.22Å; K177-W227 HydrophobicContact CG-CH2 4.34Å; K177-W227 HydrophobicContact CG-CZ2 4.37Å; K177-W227 VanDerWaalsContact NZ-CE2 3.31Å
178F95.9Very high98Very high76 Ų7659.2 Ų59.233%0.33330%0.298SS..Hα-helixtrans-100.8-2179.7-70-64.8000114.7M174 G175 E176 L180 I206 L211 W227M174-F178 VanDerWaalsContact O-CD2 3.31Å; M174-F178 WeakPolarHBondContact O-CD2 3.48Å; M174-F178 PolarHBondContact O-N 3.39Å; G175-F178 PolarHBondContact O-N 2.83Å; E176-F178 VanDerWaalsContact C-N 3.33Å; E176-F178 PolarHBondContact O-N 3.47Å; F178-L180 VanDerWaalsContact C-N 3.29Å; F178-L180 HydrophobicContact CB-CD1 4.01Å; F178-L180 HydrophobicContact CB-CG 4.13Å; F178-L180 PolarHBondContact O-N 2.96Å; F178-I206 HydrophobicContact CB-CD1 4.34Å; F178-I206 HydrophobicContact CD1-CD1 4.4Å; F178-I206 HydrophobicContact CD2-CD1 3.49Å; F178-I206 VanDerWaalsContact CD2-CD1 3.49Å; F178-I206 HydrophobicContact CE2-CD1 3.74Å; F178-I206 HydrophobicContact CG-CD1 3.84Å; F178-I206 HydrophobicContact CZ-CD1 4.33Å; F178-L211 HydrophobicContact CE2-CD1 3.5Å; F178-L211 VanDerWaalsContact CE2-CD1 3.5Å; F178-L211 HydrophobicContact CZ-CD1 3.7Å; F178-L211 HydrophobicContact CZ-CD2 4.31Å; F178-W227 HydrophobicContact CD2-CH2 4.07Å; F178-W227 AromaticContact CE2-CH2 3.27Å; F178-W227 HydrophobicContact CE2-CH2 3.27Å; F178-W227 AromaticContact CE2-CZ2 3.5Å; F178-W227 HydrophobicContact CE2-CZ2 3.5Å; F178-W227 HydrophobicContact CE2-CZ3 4.48Å; F178-W227 AromaticContact CZ-CH2 3.8Å; F178-W227 HydrophobicContact CZ-CH2 3.8Å; F178-W227 AromaticContact CZ-CZ2 3.48Å; F178-W227 HydrophobicContact CZ-CZ2 3.48Å; F178-W227 VanDerWaalsContact CZ-CZ2 3.48Å
179H97.4Very high98Very high176 Ų17656.9 Ų56.982%0.81528%0.278SS*.THydrogen-bonded Turntrans53.842.7-171.3-54-62.4000113.5G175 E176G175-H179 CarbonylContact O-C 3.58Å; G175-H179 WeakPolarHBondContact O-CA 3.38Å; G175-H179 PolarHBondContact O-N 3.47Å; E176-H179 PolarHBondContact O-N 3.39Å
180L98.4Very high98Very high75 Ų7554.9 Ų54.939%0.39327%0.271SS..  trans-120.5155.5179.5-66.8174.9000111.1G175 F178 I206G175-L180 CarbonylContact C-O 3.52Å; G175-L180 WeakPolarHBondContact CA-O 3.48Å; G175-L180 PolarHBondContact O-N 3.32Å; F178-L180 VanDerWaalsContact C-N 3.29Å; F178-L180 HydrophobicContact CB-CD1 4.01Å; F178-L180 HydrophobicContact CB-CG 4.13Å; F178-L180 PolarHBondContact O-N 2.96Å; L180-I206 HydrophobicContact CD1-CD1 3.96Å; L180-I206 HydrophobicContact CD1-CG2 3.89Å
181H98.6Very high97.9Very high132 Ų13254.9 Ų54.961%0.61127%0.271SS*.  trans-65.6136.4172.1-170.9-91.4000110.1A183 S184H181-A183 WeakPolarHBondContact ND1-CB 3.35Å; H181-A183 PolarHBondContact ND1-N 3.06Å; H181-A183 VanDerWaalsContact ND1-N 3.12Å; H181-A183 PolarHBondContact O-N 3.19Å; H181-S184 PolarHBondContact O-N 3.03Å
182P98.2Very high97.9Very high37 Ų3751.6 Ų51.624%0.2426%0.259CS..G310 helixtrans-58.5-24.4-176.9-26.936.4000114.2R171 H172 S184 C185R171-P182 HydrophobicContact CB-CB 4.28Å; R171-P182 PolarHBondContact NE-O 3.37Å; R171-P182 PolarHBondContact NH2-O 3.23Å; R171-P182 VanDerWaalsContact NH2-O 3.15Å; H172-P182 HydrophobicContact CB-CG 4.31Å; P182-S184 PolarHBondContact O-N 2.63Å; P182-C185 PolarHBondContact O-N 3.07Å
183A97.8Very high97.7Very high55 Ų5549.4 Ų49.446%0.45525%0.249SC..G310 helixtrans-61.6-28.6174.500000113.2R171 H181 H186R171-A183 PolarHBondContact NH2-O 2.87Å; R171-A183 VanDerWaalsContact NH2-O 3.17Å; H181-A183 WeakPolarHBondContact ND1-CB 3.35Å; H181-A183 PolarHBondContact ND1-N 3.06Å; H181-A183 VanDerWaalsContact ND1-N 3.12Å; H181-A183 PolarHBondContact O-N 3.19Å; A183-H186 PolarHBondContact O-CE1 3.35Å
184S98.5Very high97.3Very high62 Ų6248.7 Ų48.743%0.43425%0.25SC..G310 helixtrans-92.7-5.6-180-53.30000113.5H181 P182H181-S184 PolarHBondContact O-N 3.03Å; P182-S184 PolarHBondContact O-N 2.63Å
185C98.5Very high96.8Very high0 Ų054 Ų540%028%0.278CS..EExtended strand (participates in β ladder)trans-100.7125.8173.5-61.30000108.8R171 M174 P182R171-C185 WeakPolarHBondContact CG-O 3.42Å; R171-C185 PolarHBondContact NE-O 3.43Å; R171-C185 PolarHBondContact NH2-O 3.3Å; M174-C185 HydrophobicContact CB-CB 4Å; M174-C185 HydrophobicContact CE-CB 4.02Å; M174-C185 HydrophobicContact SD-CB 4.37Å; P182-C185 PolarHBondContact O-N 3.07Å
186H98.6Very high96.6Very high72 Ų7255.2 Ų55.233%0.33329%0.286SS..EExtended strand (participates in β ladder)trans-114.8125-178.4-55.2-68.7000110A183 V204 N205A183-H186 PolarHBondContact O-CE1 3.35Å; H186-V204 WeakPolarHBondContact O-CA 3.4Å; H186-N205 PolarHBondContact N-O 3.37Å; H186-N205 PolarHBondContact O-N 2.67Å
187G98Very high96.6Very high2 Ų250.2 Ų50.22%0.02126%0.263CS..  trans-168.3148.7179.600000108.9
188W98.4Very high96.6Very high70 Ų7046.4 Ų46.427%0.26525%0.247SC..  trans-126.4127.2-171.4-60.391.7000110I190 V200 V270 P272 P292 M306W188-I190 HydrophobicContact CB-CG2 4.31Å; W188-V200 PolarHBondContact O-N 2.77Å; W188-V270 HydrophobicContact CH2-CB 4.29Å; W188-V270 HydrophobicContact CH2-CG1 3.75Å; W188-V270 HydrophobicContact CZ3-CG1 4.23Å; W188-P272 HydrophobicContact CE3-CB 3.95Å; W188-P272 HydrophobicContact CE3-CG 3.77Å; W188-P272 HydrophobicContact CZ3-CB 4.22Å; W188-P272 HydrophobicContact CZ3-CG 3.88Å; W188-P292 HydrophobicContact CD2-CG 4.46Å; W188-P292 HydrophobicContact CE3-CB 4.27Å; W188-P292 HydrophobicContact CE3-CG 4.15Å; W188-P292 HydrophobicContact CZ3-CB 4.09Å; W188-P292 HydrophobicContact CZ3-CG 4.47Å; W188-M306 HydrophobicContact CB-CE 4.19Å; W188-M306 HydrophobicContact CG-CE 4.24Å
189I98.5Very high96.7Very high0 Ų042.9 Ų42.90%023%0.231CC..EExtended strand (participates in β ladder)trans-98.9125.4162.3-55.9-56000106.6T163 D166 S167 F170 V198 A199 V234T163-I189 VanDerWaalsContact CB-O 3.24Å; T163-I189 WeakPolarHBondContact CB-O 3.36Å; T163-I189 HydrophobicContact CG2-CG2 4.09Å; T163-I189 PolarHBondContact OG1-O 3.11Å; D166-I189 HydrophobicContact CB-CB 4.14Å; D166-I189 HydrophobicContact CB-CG1 4.39Å; D166-I189 HydrophobicContact CB-CG2 3.97Å; S167-I189 PolarHBondContact OG-N 3.35Å; S167-I189 PolarHBondContact OG-O 2.87Å; S167-I189 VanDerWaalsContact OG-O 3.12Å; F170-I189 HydrophobicContact CB-CD1 4.13Å; F170-I189 HydrophobicContact CB-CG1 3.82Å; F170-I189 HydrophobicContact CD1-CD1 4.3Å; F170-I189 HydrophobicContact CD2-CD1 3.9Å; F170-I189 HydrophobicContact CE2-CD1 4.39Å; F170-I189 HydrophobicContact CG-CD1 3.85Å; F170-I189 HydrophobicContact CG-CG1 4.08Å; I189-V198 CarbonylContact C-O 3.58Å; I189-V198 WeakPolarHBondContact CA-O 3.08Å; I189-A199 HydrophobicContact CD1-CB 3.6Å; I189-V234 HydrophobicContact CG1-CG1 4.43Å
190I98.4Very high96.7Very high1 Ų134.5 Ų34.51%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-126.7-177179.869.8170.7000110.2W188 V198 V200 S290 P292 M306 L308 L316W188-I190 HydrophobicContact CB-CG2 4.31Å; I190-V198 HydrophobicContact CG1-CB 3.96Å; I190-V198 HydrophobicContact CG1-CG1 4.4Å; I190-V198 PolarHBondContact N-O 2.99Å; I190-V198 PolarHBondContact O-N 3.27Å; I190-V200 HydrophobicContact CD1-CG2 3.62Å; I190-V200 HydrophobicContact CG1-CG2 3.67Å; I190-V200 HydrophobicContact CG2-CG2 4.21Å; I190-S290 CarbonylContact C-O 3.58Å; I190-S290 WeakPolarHBondContact CA-O 3.25Å; I190-S290 VanDerWaalsContact CB-O 3.31Å; I190-S290 WeakPolarHBondContact CB-O 3.3Å; I190-P292 HydrophobicContact CG2-CG 4.48Å; I190-M306 HydrophobicContact CD1-SD 4.08Å; I190-M306 HydrophobicContact CG2-SD 4.03Å; I190-L308 HydrophobicContact CD1-CD1 4.07Å; I190-L308 HydrophobicContact CD1-CD2 4.09Å; I190-L316 HydrophobicContact CD1-CD1 4.25Å; I190-L316 HydrophobicContact CD1-CD2 4.24Å; I190-L316 HydrophobicContact CG1-CD1 4.34Å
191G97.4Very high96.7Very high0 Ų032 Ų320%018%0.178CC..EExtended strand (participates in β ladder)trans82.7-144.6179.600000113S290 L316G191-S290 PolarHBondContact N-O 3.29Å; G191-S290 WeakPolarHBondContact O-CB 3.4Å; G191-S290 PolarHBondContact O-N 3.39Å; G191-L316 VanDerWaalsContact CA-CD1 3.49Å
192E97.1Very high96.6Very high6 Ų627.4 Ų27.43%0.02816%0.161CC..SBendtrans-68.7137.5179.2176.5-172.6-14900109.7R106 G194 S196 S197 L289 L323R106-E192 IonicContact CZ-OE1 2.71Å; R106-E192 IonicContact NH1-OE1 3.77Å; R106-E192 PolarHBondContact NH1-OE1 3.06Å; R106-E192 IonicContact NH2-OE1 3.97Å; R106-E192 PolarHBondContact NH2-OE1 3.08Å; E192-G194 PolarHBondContact O-N 2.81Å; E192-G194 VanDerWaalsContact O-N 3.09Å; E192-S196 VanDerWaalsContact CB-OG 3.31Å; E192-S196 WeakPolarHBondContact CB-OG 3.5Å; E192-S196 WeakPolarHBondContact OE2-CB 3.09Å; E192-S196 PolarHBondContact OE2-N 2.72Å; E192-S196 PolarHBondContact OE2-OG 3.48Å; E192-S197 VanDerWaalsContact O-CA 3.24Å; E192-S197 WeakPolarHBondContact O-CA 3.29Å; E192-S197 WeakPolarHBondContact O-CB 3.32Å; E192-S197 PolarHBondContact O-N 3.34Å; E192-L289 HydrophobicContact CB-CD2 4.14Å; E192-L323 HydrophobicContact CB-CD1 4.45Å; E192-L323 HydrophobicContact CG-CD1 4.45Å; E192-L323 HydrophobicContact CG-CD2 4Å; E192-L323 HydrophobicContact CG-CG 4.39Å; E192-L323 WeakPolarHBondContact OE1-CD2 3.08Å
193H95.4Very high96.5Very high44 Ų4426.9 Ų26.920%0.20416%0.162CC..SBendtrans-70.3101.1162.5176.252.9000110N138 V140 D141 T163 D166N138-H193 PolarHBondContact OD1-CD2 3.13Å; N138-H193 VanDerWaalsContact OD1-CD2 3.3Å; V140-H193 HydrophobicContact CG1-CB 3.56Å; D141-H193 PolarHBondContact OD2-N 3.34Å; T163-H193 HydrophobicContact CG2-CB 4.43Å; D166-H193 IonicContact OD1-CE1 2.64Å; D166-H193 IonicContact OD1-ND1 3.72Å; D166-H193 IonicContact OD2-CE1 2.82Å; D166-H193 PolarHBondContact OD2-CE1 3.32Å; D166-H193 IonicContact OD2-CG 3.09Å; D166-H193 IonicContact OD2-ND1 3.71Å; D166-H193 PolarHBondContact OD2-ND1 3.28Å
194G89.6Confident96.6Very high19 Ų1924.2 Ų24.220%0.19614%0.14CC..SBendtrans140.1-145177.900000113E192 S196 S197E192-G194 PolarHBondContact O-N 2.81Å; E192-G194 VanDerWaalsContact O-N 3.09Å; G194-S196 VanDerWaalsContact C-N 3.28Å; G194-S196 PolarHBondContact O-N 3.47Å; G194-S197 VanDerWaalsContact O-CB 3.23Å; G194-S197 WeakPolarHBondContact O-CB 3.38Å; G194-S197 PolarHBondContact O-N 2.84Å; G194-S197 PolarHBondContact O-OG 3.41Å
195D87.6Confident96.6Very high111 Ų11123 Ų2359%0.59413%0.129SC*.THydrogen-bonded Turntrans-64.7-27.8-167.2-57.4-8.1000113.8Y239D195-Y239 PolarHBondContact OD1-OH 3.22Å
196S93.3Very high96.6Very high30 Ų3024.5 Ų24.521%0.2114%0.136CC..THydrogen-bonded Turntrans-98.319.9174.485.80000114.1E192 G194 S319E192-S196 VanDerWaalsContact CB-OG 3.31Å; E192-S196 WeakPolarHBondContact CB-OG 3.5Å; E192-S196 WeakPolarHBondContact OE2-CB 3.09Å; E192-S196 PolarHBondContact OE2-N 2.72Å; E192-S196 PolarHBondContact OE2-OG 3.48Å; G194-S196 VanDerWaalsContact C-N 3.28Å; G194-S196 PolarHBondContact O-N 3.47Å; S196-S319 PolarHBondContact O-OG 2.98Å; S196-S319 WeakPolarHBondContact OG-CA 3.4Å; S196-S319 WeakPolarHBondContact OG-CB 3.28Å; S196-S319 PolarHBondContact OG-OG 3.39Å
197S95.9Very high96.5Very high6 Ų625.6 Ų25.64%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-59.1150.6170.663.80000112.1E192 G194 H231 V235E192-S197 VanDerWaalsContact O-CA 3.24Å; E192-S197 WeakPolarHBondContact O-CA 3.29Å; E192-S197 WeakPolarHBondContact O-CB 3.32Å; E192-S197 PolarHBondContact O-N 3.34Å; G194-S197 VanDerWaalsContact O-CB 3.23Å; G194-S197 WeakPolarHBondContact O-CB 3.38Å; G194-S197 PolarHBondContact O-N 2.84Å; G194-S197 PolarHBondContact O-OG 3.41Å; S197-H231 PolarHBondContact O-CE1 2.86Å; S197-H231 PolarHBondContact O-NE2 2.7Å; S197-H231 PolarHBondContact OG-NE2 3Å; S197-V235 WeakPolarHBondContact OG-CG2 3.44Å
198V97.6Very high96.5Very high1 Ų128.4 Ų28.41%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-116.1116.4-174.6-175.70000109.8I189 I190 E312 Q315 L316I189-V198 CarbonylContact C-O 3.58Å; I189-V198 WeakPolarHBondContact CA-O 3.08Å; I190-V198 HydrophobicContact CG1-CB 3.96Å; I190-V198 HydrophobicContact CG1-CG1 4.4Å; I190-V198 PolarHBondContact N-O 2.99Å; I190-V198 PolarHBondContact O-N 3.27Å; V198-E312 HydrophobicContact CG1-CB 4.43Å; V198-Q315 HydrophobicContact CG1-CB 4.09Å; V198-Q315 HydrophobicContact CG2-CB 3.74Å; V198-L316 HydrophobicContact CG2-CB 4.45Å
199A97.6Very high96.5Very high1 Ų128.9 Ų28.91%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-80.6117.816900000110.2I189 W201 H231I189-A199 HydrophobicContact CD1-CB 3.6Å; A199-W201 VanDerWaalsContact C-N 3.33Å; A199-W201 HydrophobicContact CB-CD2 4.33Å; A199-W201 HydrophobicContact CB-CH2 4.46Å; A199-W201 HydrophobicContact CB-CZ2 3.76Å; A199-W201 PolarHBondContact O-N 2.88Å; A199-H231 HydrophobicContact CB-CB 4.01Å
200V97.9Very high96.5Very high1 Ų130.1 Ų30.11%0.00621%0.206CC..  trans-85.876.5-179.9-170.70000109.8W188 I190 S202 G203 V204 M306 L308 E312W188-V200 PolarHBondContact O-N 2.77Å; I190-V200 HydrophobicContact CD1-CG2 3.62Å; I190-V200 HydrophobicContact CG1-CG2 3.67Å; I190-V200 HydrophobicContact CG2-CG2 4.21Å; V200-S202 WeakPolarHBondContact CG1-OG 3.22Å; V200-S202 PolarHBondContact O-N 3.31Å; V200-G203 PolarHBondContact O-N 3.2Å; V200-V204 WeakPolarHBondContact O-CG2 3.07Å; V200-M306 HydrophobicContact CB-CE 4.11Å; V200-M306 HydrophobicContact CG1-CE 3.8Å; V200-M306 HydrophobicContact CG2-CE 3.98Å; V200-M306 HydrophobicContact CG2-SD 4.43Å; V200-L308 HydrophobicContact CB-CD2 4.5Å; V200-L308 HydrophobicContact CG1-CD2 3.64Å; V200-L308 HydrophobicContact CG2-CD2 3.98Å; V200-E312 WeakPolarHBondContact CA-OE1 3.49Å
201W97.6Very high96.4Very high23 Ų2330.6 Ų30.69%0.08721%0.208CC..G310 helixtrans-55.8-33.9-179.3-60.6110000112.7F170 A199 G203 V204 M218 W227 H231 E312F170-W201 AromaticContact CE2-CH2 3.65Å; F170-W201 HydrophobicContact CE2-CH2 3.65Å; F170-W201 AromaticContact CE2-CZ3 3.82Å; F170-W201 HydrophobicContact CE2-CZ3 3.82Å; F170-W201 HydrophobicContact CZ-CE3 4.12Å; F170-W201 AromaticContact CZ-CH2 3.8Å; F170-W201 HydrophobicContact CZ-CH2 3.8Å; F170-W201 AromaticContact CZ-CZ3 3.47Å; F170-W201 HydrophobicContact CZ-CZ3 3.47Å; F170-W201 VanDerWaalsContact CZ-CZ3 3.47Å; A199-W201 VanDerWaalsContact C-N 3.33Å; A199-W201 HydrophobicContact CB-CD2 4.33Å; A199-W201 HydrophobicContact CB-CH2 4.46Å; A199-W201 HydrophobicContact CB-CZ2 3.76Å; A199-W201 PolarHBondContact O-N 2.88Å; W201-G203 PolarHBondContact O-N 3.25Å; W201-V204 HydrophobicContact CE3-CG2 4.21Å; W201-V204 PolarHBondContact O-N 2.95Å; W201-M218 HydrophobicContact CD2-CG 4.38Å; W201-M218 HydrophobicContact CE3-CG 3.71Å; W201-M218 HydrophobicContact CE3-SD 4.05Å; W201-M218 HydrophobicContact CZ3-CG 4.22Å; W201-W227 HydrophobicContact CH2-CB 4.06Å; W201-W227 WeakPolarHBondContact CH2-O 3.44Å; W201-W227 HydrophobicContact CZ3-CB 3.9Å; W201-W227 HydrophobicContact CZ3-CE3 4.11Å; W201-H231 HydrophobicContact CH2-CB 4.2Å; W201-H231 HydrophobicContact CZ2-CB 3.79Å; W201-E312 PolarHBondContact N-OE1 2.72Å
202S96.8Very high96.3Very high35 Ų3531.8 Ų31.825%0.24521%0.214CC..G310 helixtrans-62.4-24.4177.664.20000114.1V200 Q212 E312V200-S202 WeakPolarHBondContact CG1-OG 3.22Å; V200-S202 PolarHBondContact O-N 3.31Å; S202-Q212 VanDerWaalsContact CA-OE1 3.27Å; S202-E312 WeakPolarHBondContact CB-OE1 3.49Å; S202-E312 PolarHBondContact N-OE1 3.42Å; S202-E312 VanDerWaalsContact OG-CD 3.31Å; S202-E312 PolarHBondContact OG-OE1 3.04Å; S202-E312 VanDerWaalsContact OG-OE1 3.09Å; S202-E312 PolarHBondContact OG-OE2 3.38Å
203G96.8Very high96.2Very high25 Ų2537.8 Ų37.826%0.25825%0.246SC..G310 helixtrans-96.9-3.3178.100000114.9V200 W201 N205V200-G203 PolarHBondContact O-N 3.2Å; W201-G203 PolarHBondContact O-N 3.25Å; G203-N205 PolarHBondContact O-N 3.36Å; G203-N205 PolarHBondContact O-ND2 3.47Å
204V97.9Very high96.3Very high0 Ų041.9 Ų41.90%027%0.269CS..  trans-73123.3-174.5-178.50000110.7F170 M174 H186 V200 W201 L211F170-V204 HydrophobicContact CE1-CG2 3.91Å; F170-V204 HydrophobicContact CZ-CG2 4.18Å; M174-V204 HydrophobicContact CE-CG1 3.3Å; M174-V204 HydrophobicContact SD-CG1 4Å; H186-V204 WeakPolarHBondContact O-CA 3.4Å; V200-V204 WeakPolarHBondContact O-CG2 3.07Å; W201-V204 HydrophobicContact CE3-CG2 4.21Å; W201-V204 PolarHBondContact O-N 2.95Å; V204-L211 HydrophobicContact CG1-CB 4.32Å; V204-L211 HydrophobicContact CG1-CD1 3.71Å; V204-L211 HydrophobicContact CG1-CG 4.1Å; V204-L211 PolarHBondContact O-N 2.81Å
205N98.6Very high96.6Very high36 Ų3642.2 Ų42.219%0.19327%0.266CS..EExtended strand (participates in β ladder)trans-152.7161.2-1777391.2000113.9H186 G203 G208 V209H186-N205 PolarHBondContact N-O 3.37Å; H186-N205 PolarHBondContact O-N 2.67Å; G203-N205 PolarHBondContact O-N 3.36Å; G203-N205 PolarHBondContact O-ND2 3.47Å; N205-G208 WeakPolarHBondContact OD1-CA 3.28Å; N205-G208 PolarHBondContact OD1-N 3.38Å; N205-V209 WeakPolarHBondContact CA-O 3.46Å; N205-V209 VanDerWaalsContact CB-O 3.28Å; N205-V209 WeakPolarHBondContact CB-O 2.91Å
206I98.5Very high96.9Very high32 Ų3241.5 Ų41.516%0.16427%0.267CS..EExtended strand (participates in β ladder)trans-128.9125.3168.7-63.3171.3000107.1F178 L180 G208 V209 L211F178-I206 HydrophobicContact CB-CD1 4.34Å; F178-I206 HydrophobicContact CD1-CD1 4.4Å; F178-I206 HydrophobicContact CD2-CD1 3.49Å; F178-I206 VanDerWaalsContact CD2-CD1 3.49Å; F178-I206 HydrophobicContact CE2-CD1 3.74Å; F178-I206 HydrophobicContact CG-CD1 3.84Å; F178-I206 HydrophobicContact CZ-CD1 4.33Å; L180-I206 HydrophobicContact CD1-CD1 3.96Å; L180-I206 HydrophobicContact CD1-CG2 3.89Å; I206-G208 PolarHBondContact O-N 3.21Å; I206-G208 VanDerWaalsContact O-N 3.09Å; I206-V209 PolarHBondContact N-O 2.81Å; I206-V209 WeakPolarHBondContact O-CB 3.34Å; I206-V209 PolarHBondContact O-N 2.92Å; I206-L211 HydrophobicContact CD1-CD1 4.47Å; I206-L211 HydrophobicContact CD1-CD2 4.41Å
207A97.8Very high97Very high94 Ų9444.4 Ų44.478%0.77728%0.281SS*.THydrogen-bonded Turntrans50.632.7-175.600000113.7V209A207-V209 VanDerWaalsContact C-N 3.29Å; A207-V209 PolarHBondContact O-N 2.94Å
208G97.6Very high96.8Very high61 Ų6144.4 Ų44.463%0.62928%0.28SS*.THydrogen-bonded Turntrans81.8-5-177.500000115.3N205 I206 S210N205-G208 WeakPolarHBondContact OD1-CA 3.28Å; N205-G208 PolarHBondContact OD1-N 3.38Å; I206-G208 PolarHBondContact O-N 3.21Å; I206-G208 VanDerWaalsContact O-N 3.09Å; G208-S210 PolarHBondContact O-N 2.74Å
209V98.3Very high96.5Very high81 Ų8145 Ų4549%0.49129%0.287SS..EExtended strand (participates in β ladder)trans-80.2111.9175-175.60000109.3N205 I206 A207 L211 L214N205-V209 WeakPolarHBondContact CA-O 3.46Å; N205-V209 VanDerWaalsContact CB-O 3.28Å; N205-V209 WeakPolarHBondContact CB-O 2.91Å; I206-V209 PolarHBondContact N-O 2.81Å; I206-V209 WeakPolarHBondContact O-CB 3.34Å; I206-V209 PolarHBondContact O-N 2.92Å; A207-V209 VanDerWaalsContact C-N 3.29Å; A207-V209 PolarHBondContact O-N 2.94Å; V209-L211 PolarHBondContact O-N 2.79Å; V209-L214 HydrophobicContact CG1-CD1 3.99Å; V209-L214 HydrophobicContact CG1-CG 4.47Å
210S97.9Very high96.2Very high25 Ų2547.3 Ų47.318%0.17531%0.305CS..EExtended strand (participates in β ladder)trans-62.8123177168.90000110.9G208 Q212 N213G208-S210 PolarHBondContact O-N 2.74Å; S210-Q212 PolarHBondContact OG-N 3.12Å; S210-N213 PolarHBondContact O-N 3.38Å; S210-N213 PolarHBondContact OG-N 3.42Å
211L96.8Very high95.7Very high12 Ų1254.1 Ų54.16%0.06334%0.342CS..Hα-helixtrans-74.1-30.3177.9-58.6-168.9000112M174 F178 V204 I206 V209 N213 L214 N215 M218M174-L211 HydrophobicContact CE-CD1 4.06Å; F178-L211 HydrophobicContact CE2-CD1 3.5Å; F178-L211 VanDerWaalsContact CE2-CD1 3.5Å; F178-L211 HydrophobicContact CZ-CD1 3.7Å; F178-L211 HydrophobicContact CZ-CD2 4.31Å; V204-L211 HydrophobicContact CG1-CB 4.32Å; V204-L211 HydrophobicContact CG1-CD1 3.71Å; V204-L211 HydrophobicContact CG1-CG 4.1Å; V204-L211 PolarHBondContact O-N 2.81Å; I206-L211 HydrophobicContact CD1-CD1 4.47Å; I206-L211 HydrophobicContact CD1-CD2 4.41Å; V209-L211 PolarHBondContact O-N 2.79Å; L211-N213 VanDerWaalsContact C-N 3.26Å; L211-N213 PolarHBondContact O-N 3.32Å; L211-L214 HydrophobicContact CD2-CD1 4.46Å; L211-L214 PolarHBondContact O-N 3.13Å; L211-L214 VanDerWaalsContact O-N 3.13Å; L211-N215 PolarHBondContact O-N 2.88Å; L211-M218 HydrophobicContact CB-CE 3.39Å; L211-M218 HydrophobicContact CB-SD 3.69Å; L211-M218 HydrophobicContact CD1-CE 4.16Å; L211-M218 HydrophobicContact CG-CE 4.42Å
212Q95Very high95.1Very high24 Ų2455.8 Ų55.811%0.11237%0.366CS..Hα-helixtrans-70.4-22.7176.2-161.4175.650.700112.4S202 S210 L214 N215 P216 M218S202-Q212 VanDerWaalsContact CA-OE1 3.27Å; S210-Q212 PolarHBondContact OG-N 3.12Å; Q212-L214 VanDerWaalsContact C-N 3.34Å; Q212-N215 WeakPolarHBondContact CA-O 3.49Å; Q212-N215 CarbonylContact O-C 3.52Å; Q212-P216 WeakPolarHBondContact O-CA 3.48Å; Q212-P216 VanDerWaalsContact O-N 3.16Å; Q212-M218 HydrophobicContact CG-CB 4.43Å
213N96.3Very high94.9Very high132 Ų13254.8 Ų54.871%0.70636%0.358SS*.Hα-helixtrans-72.4-29.8170.9-73.1-4.4000112.3S210 L211S210-N213 PolarHBondContact O-N 3.38Å; S210-N213 PolarHBondContact OG-N 3.42Å; L211-N213 VanDerWaalsContact C-N 3.26Å; L211-N213 PolarHBondContact O-N 3.32Å
214L96.5Very high94.5Very high130 Ų13057.6 Ų57.668%0.68139%0.387SS*.Hα-helixtrans-82.1-38.4177.1-59.7178000111.6V209 L211 Q212V209-L214 HydrophobicContact CG1-CD1 3.99Å; V209-L214 HydrophobicContact CG1-CG 4.47Å; L211-L214 HydrophobicContact CD2-CD1 4.46Å; L211-L214 PolarHBondContact O-N 3.13Å; L211-L214 VanDerWaalsContact O-N 3.13Å; Q212-L214 VanDerWaalsContact C-N 3.34Å
215N96Very high94.3Very high26 Ų2662.6 Ų62.614%0.13941%0.41CS..  trans-123.890.8173.2178.53.6000109.5L211 Q212 N217 M218 D223L211-N215 PolarHBondContact O-N 2.88Å; Q212-N215 WeakPolarHBondContact CA-O 3.49Å; Q212-N215 CarbonylContact O-C 3.52Å; N215-N217 PolarHBondContact O-N 3.4Å; N215-N217 VanDerWaalsContact O-N 3.12Å; N215-N217 PolarHBondContact OD1-N 3.14Å; N215-M218 HydrophobicContact CB-CB 4.26Å; N215-M218 HydrophobicContact CB-CE 4.35Å; N215-M218 WeakPolarHBondContact O-CB 3.18Å; N215-M218 PolarHBondContact O-N 3.27Å; N215-M218 PolarHBondContact OD1-N 3.4Å; N215-D223 PolarHBondContact ND2-OD1 2.8Å
216P94.6Very high94Very high96 Ų9665.3 Ų65.362%0.62343%0.425SS*.THydrogen-bonded Turntrans-58.1-24.9179.9-28.337000114.7Q212 M218Q212-P216 WeakPolarHBondContact O-CA 3.48Å; Q212-P216 VanDerWaalsContact O-N 3.16Å; P216-M218 VanDerWaalsContact C-N 3.33Å
217N94.2Very high93.7Very high91 Ų9163.8 Ų63.849%0.48742%0.417SS..THydrogen-bonded Turntrans-88.71.7178.8-65.1-25.6000112.8N215 G219 A220 D223N215-N217 PolarHBondContact O-N 3.4Å; N215-N217 VanDerWaalsContact O-N 3.12Å; N215-N217 PolarHBondContact OD1-N 3.14Å; N217-G219 PolarHBondContact O-N 3.34Å; N217-A220 VanDerWaalsContact O-CB 3.31Å; N217-A220 WeakPolarHBondContact O-CB 3.42Å; N217-A220 PolarHBondContact O-N 3.31Å; N217-D223 WeakPolarHBondContact O-CB 3.3Å
218M93.6Very high93.5Very high7 Ų763.5 Ų63.53%0.03440%0.398CS..THydrogen-bonded Turntrans-50.8123.2-178.6175.3171.6-67.500111.6W201 L211 Q212 N215 P216 A220 W227W201-M218 HydrophobicContact CD2-CG 4.38Å; W201-M218 HydrophobicContact CE3-CG 3.71Å; W201-M218 HydrophobicContact CE3-SD 4.05Å; W201-M218 HydrophobicContact CZ3-CG 4.22Å; L211-M218 HydrophobicContact CB-CE 3.39Å; L211-M218 HydrophobicContact CB-SD 3.69Å; L211-M218 HydrophobicContact CD1-CE 4.16Å; L211-M218 HydrophobicContact CG-CE 4.42Å; Q212-M218 HydrophobicContact CG-CB 4.43Å; N215-M218 HydrophobicContact CB-CB 4.26Å; N215-M218 HydrophobicContact CB-CE 4.35Å; N215-M218 WeakPolarHBondContact O-CB 3.18Å; N215-M218 PolarHBondContact O-N 3.27Å; N215-M218 PolarHBondContact OD1-N 3.4Å; P216-M218 VanDerWaalsContact C-N 3.33Å; M218-A220 VanDerWaalsContact C-N 3.29Å; M218-A220 PolarHBondContact O-N 2.89Å; M218-W227 HydrophobicContact CE-CD2 3.91Å; M218-W227 HydrophobicContact CE-CG 3.99Å; M218-W227 HydrophobicContact CE-CZ2 4.24Å; M218-W227 HydrophobicContact CG-CB 3.9Å; M218-W227 HydrophobicContact CG-CD2 4.43Å; M218-W227 HydrophobicContact CG-CG 3.86Å; M218-W227 HydrophobicContact SD-CD2 4.37Å; M218-W227 HydrophobicContact SD-CG 4.38Å
219G89.8Confident93.3Very high14 Ų1463 Ų6314%0.14438%0.381CS..THydrogen-bonded Turntrans83.7-5.9179.200000115.2N217 D223N217-G219 PolarHBondContact O-N 3.34Å; G219-D223 PolarHBondContact N-OD2 2.93Å
220A91.6Very high93.1Very high48 Ų4859.8 Ų59.840%0.39736%0.362SS..SBendtrans-90.4165.4174.400000112.1N217 M218 G222 D223N217-A220 VanDerWaalsContact O-CB 3.31Å; N217-A220 WeakPolarHBondContact O-CB 3.42Å; N217-A220 PolarHBondContact O-N 3.31Å; M218-A220 VanDerWaalsContact C-N 3.29Å; M218-A220 PolarHBondContact O-N 2.89Å; A220-G222 PolarHBondContact O-N 3.17Å; A220-D223 VanDerWaalsContact O-CB 3.26Å; A220-D223 WeakPolarHBondContact O-CB 3.19Å; A220-D223 PolarHBondContact O-N 3.35Å; A220-D223 VanDerWaalsContact O-N 3.15Å
221D86.9Confident93Very high145 Ų14560 Ų6078%0.77536%0.36SS*.THydrogen-bonded Turntrans-65.8-18.4-179.2-67.2-38.1000113.8K228D221-K228 IonicContact OD1-NZ 3.58Å; D221-K228 PolarHBondContact OD1-NZ 2.81Å; D221-K228 IonicContact OD2-NZ 2.73Å
222G85.6Confident92.8Very high58 Ų5865.4 Ų65.460%0.59838%0.383SS*.THydrogen-bonded Turntrans-93.211.5175.900000114.8A220 G224A220-G222 PolarHBondContact O-N 3.17Å; G222-G224 PolarHBondContact O-N 2.62Å
223D91.8Very high92.8Very high13 Ų1369.3 Ų69.37%0.0740%0.399CS..  trans-74.2111.4179.5-173.51000112N215 N217 G219 A220 E225 N226 W227N215-D223 PolarHBondContact ND2-OD1 2.8Å; N217-D223 WeakPolarHBondContact O-CB 3.3Å; G219-D223 PolarHBondContact N-OD2 2.93Å; A220-D223 VanDerWaalsContact O-CB 3.26Å; A220-D223 WeakPolarHBondContact O-CB 3.19Å; A220-D223 PolarHBondContact O-N 3.35Å; A220-D223 VanDerWaalsContact O-N 3.15Å; D223-E225 PolarHBondContact O-N 3.18Å; D223-E225 VanDerWaalsContact O-N 3.16Å; D223-E225 PolarHBondContact OD1-N 2.96Å; D223-N226 PolarHBondContact O-N 3.19Å; D223-W227 WeakPolarHBondContact OD2-CB 3.31Å; D223-W227 PolarHBondContact OD2-N 3.38Å
224G90.1Very high92.7Very high84 Ų8463.1 Ų63.187%0.86637%0.366SS*.THydrogen-bonded Turntrans-62.6-20.4177.900000114.3G222G222-G224 PolarHBondContact O-N 2.62Å
225E92.7Very high92.5Very high106 Ų10657.9 Ų57.950%0.49534%0.34SS..THydrogen-bonded Turntrans-97.60.7175.8-65.4-175.9-159.800113.4K177 D223 W227K177-E225 PolarHBondContact NZ-O 3.47Å; K177-E225 IonicContact NZ-OE2 3.76Å; D223-E225 PolarHBondContact O-N 3.18Å; D223-E225 VanDerWaalsContact O-N 3.16Å; D223-E225 PolarHBondContact OD1-N 2.96Å; E225-W227 VanDerWaalsContact C-N 3.35Å; E225-W227 PolarHBondContact O-N 3.38Å; E225-W227 PolarHBondContact OE2-NE1 3.02Å
226N91.7Very high92.2Very high92 Ų9259.9 Ų59.949%0.49235%0.35SS..  trans48.447.8177.6-165.819.8000113.8D223 K228 D229D223-N226 PolarHBondContact O-N 3.19Å; N226-K228 PolarHBondContact O-N 3.15Å; N226-K228 VanDerWaalsContact O-N 3.17Å; N226-D229 VanDerWaalsContact O-CB 3.29Å; N226-D229 WeakPolarHBondContact O-CB 3.15Å; N226-D229 PolarHBondContact O-N 3.21Å
227W94.1Very high91.7Very high0 Ų055.9 Ų55.90%033%0.327CS..THydrogen-bonded Turntrans-60-25.3178.1-8089.5000113.1M174 K177 F178 W201 M218 D223 E225 D229 V230M174-W227 HydrophobicContact CG-CH2 4.43Å; M174-W227 HydrophobicContact CG-CZ3 3.88Å; K177-W227 HydrophobicContact CB-CH2 4.41Å; K177-W227 HydrophobicContact CD-CH2 3.67Å; K177-W227 HydrophobicContact CD-CZ2 3.61Å; K177-W227 HydrophobicContact CD-CZ3 4.22Å; K177-W227 HydrophobicContact CG-CH2 4.34Å; K177-W227 HydrophobicContact CG-CZ2 4.37Å; K177-W227 VanDerWaalsContact NZ-CE2 3.31Å; F178-W227 HydrophobicContact CD2-CH2 4.07Å; F178-W227 AromaticContact CE2-CH2 3.27Å; F178-W227 HydrophobicContact CE2-CH2 3.27Å; F178-W227 AromaticContact CE2-CZ2 3.5Å; F178-W227 HydrophobicContact CE2-CZ2 3.5Å; F178-W227 HydrophobicContact CE2-CZ3 4.48Å; F178-W227 AromaticContact CZ-CH2 3.8Å; F178-W227 HydrophobicContact CZ-CH2 3.8Å; F178-W227 AromaticContact CZ-CZ2 3.48Å; F178-W227 HydrophobicContact CZ-CZ2 3.48Å; F178-W227 VanDerWaalsContact CZ-CZ2 3.48Å; W201-W227 HydrophobicContact CH2-CB 4.06Å; W201-W227 WeakPolarHBondContact CH2-O 3.44Å; W201-W227 HydrophobicContact CZ3-CB 3.9Å; W201-W227 HydrophobicContact CZ3-CE3 4.11Å; M218-W227 HydrophobicContact CE-CD2 3.91Å; M218-W227 HydrophobicContact CE-CG 3.99Å; M218-W227 HydrophobicContact CE-CZ2 4.24Å; M218-W227 HydrophobicContact CG-CB 3.9Å; M218-W227 HydrophobicContact CG-CD2 4.43Å; M218-W227 HydrophobicContact CG-CG 3.86Å; M218-W227 HydrophobicContact SD-CD2 4.37Å; M218-W227 HydrophobicContact SD-CG 4.38Å; D223-W227 WeakPolarHBondContact OD2-CB 3.31Å; D223-W227 PolarHBondContact OD2-N 3.38Å; E225-W227 VanDerWaalsContact C-N 3.35Å; E225-W227 PolarHBondContact O-N 3.38Å; E225-W227 PolarHBondContact OE2-NE1 3.02Å; W227-D229 PolarHBondContact O-N 2.83Å; W227-V230 HydrophobicContact CE3-CB 4.32Å; W227-V230 HydrophobicContact CE3-CG2 3.78Å; W227-V230 HydrophobicContact CZ3-CG2 4.09Å; W227-V230 WeakPolarHBondContact O-CA 3.21Å; W227-V230 WeakPolarHBondContact O-CB 3.42Å; W227-V230 PolarHBondContact O-N 3.12Å
228K92.1Very high91.2Very high89 Ų8952.7 Ų52.739%0.38731%0.313SS..Hα-helixtrans-57-31.4173.6-168.1172.9177.61760112.7D221 N226 V230 H231 K232D221-K228 IonicContact OD1-NZ 3.58Å; D221-K228 PolarHBondContact OD1-NZ 2.81Å; D221-K228 IonicContact OD2-NZ 2.73Å; N226-K228 PolarHBondContact O-N 3.15Å; N226-K228 VanDerWaalsContact O-N 3.17Å; K228-V230 VanDerWaalsContact C-N 3.26Å; K228-V230 PolarHBondContact O-N 3.25Å; K228-H231 PolarHBondContact O-N 2.85Å; K228-K232 PolarHBondContact O-N 3.41Å
229D93.9Very high90.8Very high51 Ų5158.5 Ų58.527%0.27334%0.335SS..Hα-helixtrans-64.1-29.3173.5-175.168000112.8N226 W227 K232 K233N226-D229 VanDerWaalsContact O-CB 3.29Å; N226-D229 WeakPolarHBondContact O-CB 3.15Å; N226-D229 PolarHBondContact O-N 3.21Å; W227-D229 PolarHBondContact O-N 2.83Å; D229-K232 PolarHBondContact O-N 3.16Å; D229-K233 WeakPolarHBondContact O-CB 3.39Å; D229-K233 WeakPolarHBondContact O-CG 3.45Å; D229-K233 PolarHBondContact O-N 2.98Å; D229-K233 WeakPolarHBondContact OD2-CE 3.32Å; D229-K233 IonicContact OD2-NZ 2.81Å; D229-K233 PolarHBondContact OD2-NZ 3.16Å
230V95Very high90.9Very high13 Ų1363.6 Ų63.68%0.07936%0.355CS..Hα-helixtrans-64-47.5175.2-179.20000110.3F170 L173 W227 K228 K233 V234F170-V230 HydrophobicContact CD2-CG1 3.77Å; F170-V230 HydrophobicContact CE2-CB 4.33Å; F170-V230 HydrophobicContact CE2-CG1 3.72Å; L173-V230 HydrophobicContact CB-CG1 3.69Å; L173-V230 HydrophobicContact CD1-CG1 4.03Å; W227-V230 HydrophobicContact CE3-CB 4.32Å; W227-V230 HydrophobicContact CE3-CG2 3.78Å; W227-V230 HydrophobicContact CZ3-CG2 4.09Å; W227-V230 WeakPolarHBondContact O-CA 3.21Å; W227-V230 WeakPolarHBondContact O-CB 3.42Å; W227-V230 PolarHBondContact O-N 3.12Å; K228-V230 VanDerWaalsContact C-N 3.26Å; K228-V230 PolarHBondContact O-N 3.25Å; V230-K233 PolarHBondContact O-N 2.83Å; V230-V234 WeakPolarHBondContact O-CG2 3.38Å; V230-V234 PolarHBondContact O-N 3.45Å; V230-V234 VanDerWaalsContact O-N 3.11Å
231H94.6Very high90.9Very high30 Ų3064.1 Ų64.114%0.13935%0.354CS..Hα-helixtrans-64.9-41176176.2-140.1000111.4S197 A199 W201 K228 K233 V234 V235S197-H231 PolarHBondContact O-CE1 2.86Å; S197-H231 PolarHBondContact O-NE2 2.7Å; S197-H231 PolarHBondContact OG-NE2 3Å; A199-H231 HydrophobicContact CB-CB 4.01Å; W201-H231 HydrophobicContact CH2-CB 4.2Å; W201-H231 HydrophobicContact CZ2-CB 3.79Å; K228-H231 PolarHBondContact O-N 2.85Å; H231-K233 VanDerWaalsContact C-N 3.35Å; H231-K233 PolarHBondContact O-N 2.88Å; H231-V234 WeakPolarHBondContact O-CB 3.45Å; H231-V234 PolarHBondContact O-N 2.94Å; H231-V235 PolarHBondContact O-N 2.9Å; H231-V235 VanDerWaalsContact O-N 3.13Å
232K94Very high91Very high124 Ų12461 Ų6154%0.53934%0.336SS..Hα-helixtrans-56.5-46.5173.9-178172.4179.61710112.2K228 D229 V234 V235 D236K228-K232 PolarHBondContact O-N 3.41Å; D229-K232 PolarHBondContact O-N 3.16Å; K232-V234 VanDerWaalsContact C-N 3.27Å; K232-V234 PolarHBondContact O-N 3.4Å; K232-V235 PolarHBondContact O-N 3.48Å; K232-D236 VanDerWaalsContact CE-OD2 3.24Å; K232-D236 WeakPolarHBondContact CE-OD2 3.44Å; K232-D236 VanDerWaalsContact CG-OD2 3.31Å; K232-D236 WeakPolarHBondContact CG-OD2 3.31Å; K232-D236 WeakPolarHBondContact O-CB 3.42Å; K232-D236 PolarHBondContact O-N 3.01Å
233K94.8Very high91.3Very high107 Ų10767.1 Ų67.147%0.46535%0.346SS..Hα-helixtrans-62.7-29.6175.3-78.4170.7172.71550113.6L173 D229 V230 H231 G237L173-K233 HydrophobicContact CD1-CB 3.72Å; D229-K233 WeakPolarHBondContact O-CB 3.39Å; D229-K233 WeakPolarHBondContact O-CG 3.45Å; D229-K233 PolarHBondContact O-N 2.98Å; D229-K233 WeakPolarHBondContact OD2-CE 3.32Å; D229-K233 IonicContact OD2-NZ 2.81Å; D229-K233 PolarHBondContact OD2-NZ 3.16Å; V230-K233 PolarHBondContact O-N 2.83Å; H231-K233 VanDerWaalsContact C-N 3.35Å; H231-K233 PolarHBondContact O-N 2.88Å; K233-G237 VanDerWaalsContact O-CA 3.29Å; K233-G237 WeakPolarHBondContact O-CA 3.41Å; K233-G237 PolarHBondContact O-N 3.43Å
234V94.3Very high91.4Very high1 Ų173.1 Ų73.11%0.00638%0.377CS..Hα-helixtrans-65.9-49173.61720000110.7D166 R169 F170 L173 I189 V230 H231 K232 G237D166-V234 HydrophobicContact CB-CG1 3.65Å; D166-V234 WeakPolarHBondContact O-CG1 3.4Å; R169-V234 HydrophobicContact CB-CG1 4.2Å; R169-V234 HydrophobicContact CB-CG2 4.13Å; F170-V234 HydrophobicContact CB-CG2 3.8Å; F170-V234 HydrophobicContact CD2-CG2 4Å; F170-V234 HydrophobicContact CG-CG2 4.42Å; L173-V234 HydrophobicContact CD1-CG2 3.86Å; I189-V234 HydrophobicContact CG1-CG1 4.43Å; V230-V234 WeakPolarHBondContact O-CG2 3.38Å; V230-V234 PolarHBondContact O-N 3.45Å; V230-V234 VanDerWaalsContact O-N 3.11Å; H231-V234 WeakPolarHBondContact O-CB 3.45Å; H231-V234 PolarHBondContact O-N 2.94Å; K232-V234 VanDerWaalsContact C-N 3.27Å; K232-V234 PolarHBondContact O-N 3.4Å; V234-G237 PolarHBondContact O-N 2.81Å
235V90.5Very high91.6Very high21 Ų2172.6 Ų72.613%0.12735%0.352CS..Hα-helixtrans-62.6-50177.3176.80000110.1S197 H231 K232 G237S197-V235 WeakPolarHBondContact OG-CG2 3.44Å; H231-V235 PolarHBondContact O-N 2.9Å; H231-V235 VanDerWaalsContact O-N 3.13Å; K232-V235 PolarHBondContact O-N 3.48Å; V235-G237 VanDerWaalsContact C-N 3.27Å; V235-G237 PolarHBondContact O-N 3.2Å
236D90.4Very high91.6Very high67 Ų6769.8 Ų69.836%0.35835%0.351SS..Hα-helixtrans-69.9-23.3-177.3-70-15.3000112.9K232 A238 Y239 E240K232-D236 VanDerWaalsContact CE-OD2 3.24Å; K232-D236 WeakPolarHBondContact CE-OD2 3.44Å; K232-D236 VanDerWaalsContact CG-OD2 3.31Å; K232-D236 WeakPolarHBondContact CG-OD2 3.31Å; K232-D236 WeakPolarHBondContact O-CB 3.42Å; K232-D236 PolarHBondContact O-N 3.01Å; D236-A238 VanDerWaalsContact C-N 3.28Å; D236-A238 PolarHBondContact O-N 3.45Å; D236-Y239 WeakPolarHBondContact O-CB 3.37Å; D236-Y239 PolarHBondContact O-N 2.84Å; D236-E240 PolarHBondContact O-N 3.21Å
237G85.1Confident91.6Very high13 Ų1369 Ų6913%0.13434%0.342CS..Hα-helixtrans-63.3-29.5-172.400000113.9K233 V234 V235 V241K233-G237 VanDerWaalsContact O-CA 3.29Å; K233-G237 WeakPolarHBondContact O-CA 3.41Å; K233-G237 PolarHBondContact O-N 3.43Å; V234-G237 PolarHBondContact O-N 2.81Å; V235-G237 VanDerWaalsContact C-N 3.27Å; V235-G237 PolarHBondContact O-N 3.2Å; G237-V241 WeakPolarHBondContact O-CB 3.41Å; G237-V241 VanDerWaalsContact O-CG2 3.26Å; G237-V241 WeakPolarHBondContact O-CG2 3.22Å; G237-V241 PolarHBondContact O-N 3.48Å
238A82Confident91.5Very high23 Ų2371 Ų7119%0.1935%0.354CS..Hα-helixtrans-66.5-46171.400000111.3D236 V241 I242D236-A238 VanDerWaalsContact C-N 3.28Å; D236-A238 PolarHBondContact O-N 3.45Å; A238-V241 PolarHBondContact O-N 3.11Å; A238-I242 WeakPolarHBondContact O-CB 3.42Å; A238-I242 WeakPolarHBondContact O-CD1 3.5Å; A238-I242 WeakPolarHBondContact O-CG1 3.21Å; A238-I242 PolarHBondContact O-N 2.87Å
239Y86.4Confident91.7Very high129 Ų12966.9 Ų66.951%0.50634%0.336SS..Hα-helixtrans-66.7-40.2-179.6-58.1-65.2000111.9D195 D236 I242 K243D195-Y239 PolarHBondContact OD1-OH 3.22Å; D236-Y239 WeakPolarHBondContact O-CB 3.37Å; D236-Y239 PolarHBondContact O-N 2.84Å; Y239-I242 PolarHBondContact O-N 2.97Å; Y239-K243 WeakPolarHBondContact O-CB 3.46Å; Y239-K243 PolarHBondContact O-N 3.1Å
240E91.3Very high92Very high121 Ų12171.8 Ų71.857%0.56535%0.351SS*.Hα-helixtrans-63.4-46.6176.9-174173.5-167.100111.8D236 I242 K243 L244D236-E240 PolarHBondContact O-N 3.21Å; E240-I242 VanDerWaalsContact C-N 3.31Å; E240-I242 PolarHBondContact O-N 3.18Å; E240-K243 WeakPolarHBondContact O-CB 3.45Å; E240-K243 PolarHBondContact O-N 2.89Å; E240-L244 HydrophobicContact CG-CD1 4.01Å; E240-L244 WeakPolarHBondContact O-CG 3.26Å; E240-L244 PolarHBondContact O-N 2.83Å
241V91.1Very high92.1Very high60 Ų6073.2 Ų73.236%0.36436%0.364SS..Hα-helixtrans-61.8-40.9175.7171.20000111.2G237 A238 L244 K245 T248G237-V241 WeakPolarHBondContact O-CB 3.41Å; G237-V241 VanDerWaalsContact O-CG2 3.26Å; G237-V241 WeakPolarHBondContact O-CG2 3.22Å; G237-V241 PolarHBondContact O-N 3.48Å; A238-V241 PolarHBondContact O-N 3.11Å; V241-L244 PolarHBondContact O-N 3.32Å; V241-K245 HydrophobicContact CG1-CB 4.44Å; V241-K245 VanDerWaalsContact O-CB 3.29Å; V241-K245 WeakPolarHBondContact O-CB 3.49Å; V241-K245 PolarHBondContact O-N 3Å; V241-T248 HydrophobicContact CB-CG2 4.47Å; V241-T248 HydrophobicContact CG1-CG2 4.11Å
242I88.8Confident92.3Very high78 Ų7872.6 Ų72.640%0.436%0.362SS..Hα-helixtrans-64.5-41.7176.4-69.4165000110.6A238 Y239 E240 L244 G246 T248A238-I242 WeakPolarHBondContact O-CB 3.42Å; A238-I242 WeakPolarHBondContact O-CD1 3.5Å; A238-I242 WeakPolarHBondContact O-CG1 3.21Å; A238-I242 PolarHBondContact O-N 2.87Å; Y239-I242 PolarHBondContact O-N 2.97Å; E240-I242 VanDerWaalsContact C-N 3.31Å; E240-I242 PolarHBondContact O-N 3.18Å; I242-L244 VanDerWaalsContact C-N 3.3Å; I242-L244 PolarHBondContact O-N 2.98Å; I242-G246 WeakPolarHBondContact O-CA 3.35Å; I242-G246 PolarHBondContact O-N 3.49Å; I242-T248 HydrophobicContact CD1-CG2 4.34Å; I242-T248 HydrophobicContact CG1-CG2 3.97Å
243K91.9Very high92.5Very high187 Ų18766.7 Ų66.781%0.81334%0.336SS*.Hα-helixtrans-60.9-38.6176.7-176.6-177.7177.6-175.70112.1Y239 E240Y239-K243 WeakPolarHBondContact O-CB 3.46Å; Y239-K243 PolarHBondContact O-N 3.1Å; E240-K243 WeakPolarHBondContact O-CB 3.45Å; E240-K243 PolarHBondContact O-N 2.89Å
244L95Very high92.7Very high139 Ų13967.1 Ų67.173%0.72834%0.341SS*.Hα-helixtrans-85.3-41.7-176.7-66.4172.2000113.7E240 V241 I242E240-L244 HydrophobicContact CG-CD1 4.01Å; E240-L244 WeakPolarHBondContact O-CG 3.26Å; E240-L244 PolarHBondContact O-N 2.83Å; V241-L244 PolarHBondContact O-N 3.32Å; I242-L244 VanDerWaalsContact C-N 3.3Å; I242-L244 PolarHBondContact O-N 2.98Å
245K94.5Very high92.9Very high74 Ų7467.6 Ų67.632%0.32234%0.344SS..Hα-helixtrans-106.4-17.6-171.9-173.1179.3176.8-169.60113.4V241 Y247 S249 W250V241-K245 HydrophobicContact CG1-CB 4.44Å; V241-K245 VanDerWaalsContact O-CB 3.29Å; V241-K245 WeakPolarHBondContact O-CB 3.49Å; V241-K245 PolarHBondContact O-N 3Å; K245-Y247 VanDerWaalsContact C-N 3.31Å; K245-Y247 HydrophobicContact CD-CE2 4.25Å; K245-Y247 WeakPolarHBondContact CE-OH 3.16Å; K245-Y247 HydrophobicContact CG-CE1 4.3Å; K245-Y247 HydrophobicContact CG-CE2 4.44Å; K245-Y247 WeakPolarHBondContact O-CD1 3.36Å; K245-Y247 WeakPolarHBondContact O-CE1 3.49Å; K245-Y247 PolarHBondContact O-N 3.24Å; K245-S249 PolarHBondContact NZ-OG 2.99Å; K245-W250 VanDerWaalsContact NZ-CD1 3.27Å
246G91.6Very high93.3Very high47 Ų4766.6 Ų66.649%0.48534%0.338SS..SBendtrans85.3-10.4-174.400000115I242I242-G246 WeakPolarHBondContact O-CA 3.35Å; I242-G246 PolarHBondContact O-N 3.49Å
247Y91.4Very high93.7Very high75 Ų7563.4 Ų63.429%0.29432%0.321SS..SBendtrans-167.8161.7-179.156-87.4000112.5M30 K245 S249M30-Y247 HydrophobicContact CB-CD2 3.62Å; M30-Y247 HydrophobicContact CB-CE2 3.93Å; M30-Y247 HydrophobicContact CB-CG 4.35Å; M30-Y247 HydrophobicContact CE-CD2 4.37Å; M30-Y247 HydrophobicContact CE-CE2 3.53Å; M30-Y247 HydrophobicContact CG-CD1 4.42Å; M30-Y247 HydrophobicContact CG-CD2 3.58Å; M30-Y247 HydrophobicContact CG-CE2 3.74Å; M30-Y247 HydrophobicContact CG-CG 3.96Å; M30-Y247 HydrophobicContact SD-CE2 4.39Å; K245-Y247 VanDerWaalsContact C-N 3.31Å; K245-Y247 HydrophobicContact CD-CE2 4.25Å; K245-Y247 WeakPolarHBondContact CE-OH 3.16Å; K245-Y247 HydrophobicContact CG-CE1 4.3Å; K245-Y247 HydrophobicContact CG-CE2 4.44Å; K245-Y247 WeakPolarHBondContact O-CD1 3.36Å; K245-Y247 WeakPolarHBondContact O-CE1 3.49Å; K245-Y247 PolarHBondContact O-N 3.24Å; Y247-S249 WeakPolarHBondContact CE2-OG 3.35Å
248T92.5Very high94.4Very high41 Ų4165.1 Ų65.125%0.25233%0.327SS..  trans-98.9152.1166.460.90000110.9V241 I242V241-T248 HydrophobicContact CB-CG2 4.47Å; V241-T248 HydrophobicContact CG1-CG2 4.11Å; I242-T248 HydrophobicContact CD1-CG2 4.34Å; I242-T248 HydrophobicContact CG1-CG2 3.97Å
249S97.3Very high95.2Very high3 Ų364 Ų642%0.02132%0.318CS..  trans-161.5-69.5-177.5330000112.1M30 A34 K245 Y247 A251 I252 G253M30-S249 WeakPolarHBondContact O-CB 3.48Å; A34-S249 VanDerWaalsContact CB-O 3.3Å; A34-S249 WeakPolarHBondContact CB-O 3.24Å; K245-S249 PolarHBondContact NZ-OG 2.99Å; Y247-S249 WeakPolarHBondContact CE2-OG 3.35Å; S249-A251 PolarHBondContact O-N 3.12Å; S249-I252 WeakPolarHBondContact O-CG2 3.4Å; S249-I252 PolarHBondContact O-N 2.73Å; S249-G253 PolarHBondContact O-N 2.91Å
250W98.5Very high95.8Very high154 Ų15457.9 Ų57.958%0.58329%0.294SS*.Hα-helixtrans-60.3-52.2-167.7-51.6138.3000113.9A34 K245 I252 G253 M254A34-W250 HydrophobicContact CB-CE3 3.91Å; A34-W250 HydrophobicContact CB-CZ3 4.17Å; K245-W250 VanDerWaalsContact NZ-CD1 3.27Å; W250-I252 VanDerWaalsContact C-N 3.35Å; W250-I252 PolarHBondContact O-N 2.74Å; W250-G253 PolarHBondContact O-N 3.09Å; W250-M254 WeakPolarHBondContact O-CG 3.29Å; W250-M254 PolarHBondContact O-N 2.94Å
251A98.3Very high96.1Very high43 Ų4353.4 Ų53.436%0.35527%0.273SS..Hα-helixtrans-64.3-39.4-177.100000112.4L165 S249 S255L165-A251 HydrophobicContact CD1-CB 3.7Å; L165-A251 HydrophobicContact CD2-CB 4.46Å; S249-A251 PolarHBondContact O-N 3.12Å; A251-S255 WeakPolarHBondContact O-CB 3.32Å; A251-S255 PolarHBondContact O-N 2.72Å
252I98.2Very high96.5Very high17 Ų1750.6 Ų50.69%0.08726%0.256CS..Hα-helixtrans-70.9-38.5176-175.560.7000111.8V31 V136 L165 S249 W250 M254 S255 V256V31-I252 HydrophobicContact CB-CG2 4.43Å; V31-I252 HydrophobicContact CG1-CG1 4.18Å; V31-I252 HydrophobicContact CG1-CG2 3.92Å; V31-I252 HydrophobicContact CG2-CG2 3.99Å; V136-I252 HydrophobicContact CG1-CD1 3.99Å; V136-I252 HydrophobicContact CG1-CG1 3.73Å; L165-I252 HydrophobicContact CD2-CB 3.96Å; L165-I252 HydrophobicContact CD2-CD1 4.21Å; S249-I252 WeakPolarHBondContact O-CG2 3.4Å; S249-I252 PolarHBondContact O-N 2.73Å; W250-I252 VanDerWaalsContact C-N 3.35Å; W250-I252 PolarHBondContact O-N 2.74Å; I252-M254 VanDerWaalsContact C-N 3.35Å; I252-M254 PolarHBondContact O-N 2.69Å; I252-S255 WeakPolarHBondContact O-CB 3.32Å; I252-S255 PolarHBondContact O-N 2.66Å; I252-V256 HydrophobicContact CD1-CG2 4.34Å; I252-V256 HydrophobicContact CG1-CG2 4.41Å; I252-V256 VanDerWaalsContact O-CG2 3.31Å; I252-V256 WeakPolarHBondContact O-CG2 3.48Å; I252-V256 PolarHBondContact O-N 2.71Å
253G98.8Very high97Very high0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-61-41.7174.600000112.9S249 W250 V256 A257S249-G253 PolarHBondContact O-N 2.91Å; W250-G253 PolarHBondContact O-N 3.09Å; G253-V256 PolarHBondContact O-N 3.21Å; G253-A257 PolarHBondContact O-N 2.68Å
254M98.9Very high97.3Very high117 Ų11739.7 Ų39.758%0.57621%0.207SC*.Hα-helixtrans-66.1-41.2173.5-69.4-174.9-71.700112.1W250 I252 A257 D258W250-M254 WeakPolarHBondContact O-CG 3.29Å; W250-M254 PolarHBondContact O-N 2.94Å; I252-M254 VanDerWaalsContact C-N 3.35Å; I252-M254 PolarHBondContact O-N 2.69Å; M254-A257 PolarHBondContact O-N 3.11Å; M254-D258 PolarHBondContact O-N 2.76Å
255S98.9Very high97.5Very high10 Ų1038 Ų387%0.0719%0.194CC..Hα-helixtrans-60.9-43.4175.2-1770000111.8N164 A251 I252 D258 L259N164-S255 PolarHBondContact ND2-OG 3.04Å; A251-S255 WeakPolarHBondContact O-CB 3.32Å; A251-S255 PolarHBondContact O-N 2.72Å; I252-S255 WeakPolarHBondContact O-CB 3.32Å; I252-S255 PolarHBondContact O-N 2.66Å; S255-D258 PolarHBondContact O-N 2.92Å; S255-L259 WeakPolarHBondContact O-CG 3.07Å; S255-L259 PolarHBondContact O-N 3.11Å
256V98.9Very high97.7Very high0 Ų037.2 Ų37.20%019%0.193CC..Hα-helixtrans-62.5-45.4175.2167.60000111.1I39 V93 L134 V136 I252 G253 D258 L259 V260I39-V256 HydrophobicContact CD1-CG1 4.46Å; V93-V256 HydrophobicContact CG1-CG1 3.77Å; V93-V256 HydrophobicContact CG2-CG1 4.09Å; L134-V256 HydrophobicContact CD2-CG1 4.01Å; V136-V256 HydrophobicContact CG1-CG2 4.18Å; V136-V256 HydrophobicContact CG2-CG2 3.6Å; I252-V256 HydrophobicContact CD1-CG2 4.34Å; I252-V256 HydrophobicContact CG1-CG2 4.41Å; I252-V256 VanDerWaalsContact O-CG2 3.31Å; I252-V256 WeakPolarHBondContact O-CG2 3.48Å; I252-V256 PolarHBondContact O-N 2.71Å; G253-V256 PolarHBondContact O-N 3.21Å; V256-D258 VanDerWaalsContact C-N 3.29Å; V256-D258 PolarHBondContact O-N 3.22Å; V256-L259 PolarHBondContact O-N 2.89Å; V256-V260 HydrophobicContact CG1-CG2 4.2Å; V256-V260 VanDerWaalsContact O-CG2 3.32Å; V256-V260 WeakPolarHBondContact O-CG2 3.39Å; V256-V260 PolarHBondContact O-N 2.89Å
257A98.9Very high98Very high0 Ų038.2 Ų38.20%019%0.187CC..Hα-helixtrans-66.7-29.5-179.500000113.1I39 K42 L44 G253 M254 E261I39-A257 HydrophobicContact CG1-CB 4.15Å; K42-A257 HydrophobicContact CD-CB 3.89Å; L44-A257 HydrophobicContact CD1-CB 4.5Å; L44-A257 WeakPolarHBondContact CD1-O 3.45Å; G253-A257 PolarHBondContact O-N 2.68Å; M254-A257 PolarHBondContact O-N 3.11Å; A257-E261 VanDerWaalsContact O-CB 3.28Å; A257-E261 WeakPolarHBondContact O-CB 3.3Å; A257-E261 PolarHBondContact O-N 2.9Å
258D98.9Very high98.3Very high49 Ų4939.2 Ų39.226%0.26219%0.194SC..Hα-helixtrans-65.4-43.5170.4-179.460.8000111.9M254 S255 V256 E261 S262 H271M254-D258 PolarHBondContact O-N 2.76Å; S255-D258 PolarHBondContact O-N 2.92Å; V256-D258 VanDerWaalsContact C-N 3.29Å; V256-D258 PolarHBondContact O-N 3.22Å; D258-E261 PolarHBondContact O-N 3.03Å; D258-S262 PolarHBondContact O-N 3.42Å; D258-S262 VanDerWaalsContact O-N 3.14Å; D258-S262 PolarHBondContact O-OG 3.08Å; D258-H271 IonicContact OD2-CE1 3.18Å; D258-H271 PolarHBondContact OD2-CE1 3.37Å; D258-H271 IonicContact OD2-ND1 2.63Å; D258-H271 PolarHBondContact OD2-ND1 3.18Å
259L98.9Very high98.6Very high0 Ų041.4 Ų41.40%020%0.2CC..Hα-helixtrans-64.8-46174.9-62.7176.4000112.2L134 N164 S255 V256 E261 S262 I263 H271 V273 L295L134-L259 HydrophobicContact CD1-CD1 3.93Å; L134-L259 HydrophobicContact CD2-CB 4.07Å; L134-L259 HydrophobicContact CD2-CD1 4.36Å; N164-L259 HydrophobicContact CB-CD1 4.5Å; N164-L259 HydrophobicContact CB-CD2 4.5Å; S255-L259 WeakPolarHBondContact O-CG 3.07Å; S255-L259 PolarHBondContact O-N 3.11Å; V256-L259 PolarHBondContact O-N 2.89Å; L259-E261 VanDerWaalsContact C-N 3.27Å; L259-E261 PolarHBondContact O-N 3.32Å; L259-S262 PolarHBondContact O-N 2.86Å; L259-I263 WeakPolarHBondContact O-CG1 3.34Å; L259-I263 PolarHBondContact O-N 2.77Å; L259-I263 VanDerWaalsContact O-N 3.13Å; L259-H271 HydrophobicContact CD2-CB 3.71Å; L259-V273 HydrophobicContact CD1-CG1 4.02Å; L259-V273 HydrophobicContact CD2-CG1 3.55Å; L259-V273 HydrophobicContact CG-CG1 4.46Å; L259-L295 HydrophobicContact CD2-CD1 3.78Å
260V98.9Very high98.7Very high0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-61-39176.3174.20000110.3V23 I39 L44 V91 V93 L134 V256 I263 M264V23-V260 HydrophobicContact CG2-CG1 4.32Å; I39-V260 HydrophobicContact CD1-CG2 4.16Å; I39-V260 HydrophobicContact CG1-CG1 4.44Å; I39-V260 HydrophobicContact CG1-CG2 4.47Å; L44-V260 HydrophobicContact CB-CG1 4.34Å; L44-V260 HydrophobicContact CD1-CB 4.18Å; L44-V260 HydrophobicContact CD1-CG1 3.94Å; V91-V260 HydrophobicContact CG1-CG2 4.22Å; V93-V260 HydrophobicContact CG2-CG2 4.13Å; L134-V260 HydrophobicContact CD2-CG2 3.99Å; V256-V260 HydrophobicContact CG1-CG2 4.2Å; V256-V260 VanDerWaalsContact O-CG2 3.32Å; V256-V260 WeakPolarHBondContact O-CG2 3.39Å; V256-V260 PolarHBondContact O-N 2.89Å; V260-I263 PolarHBondContact O-N 3.15Å; V260-M264 HydrophobicContact CG1-CG 3.67Å; V260-M264 VanDerWaalsContact O-CB 3.29Å; V260-M264 WeakPolarHBondContact O-CB 3.28Å; V260-M264 WeakPolarHBondContact O-CG 3.39Å; V260-M264 PolarHBondContact O-N 3.4Å
261E98.9Very high98.7Very high28 Ų2837.1 Ų37.113%0.13119%0.19CC..Hα-helixtrans-61.3-46.2176.8179.8170.4-131.100112.1K42 L44 A257 D258 L259 I263 M264 K265 L267K42-E261 VanDerWaalsContact CE-OE2 3.26Å; K42-E261 WeakPolarHBondContact CE-OE2 3.4Å; K42-E261 IonicContact NZ-OE1 3.93Å; K42-E261 IonicContact NZ-OE2 2.72Å; K42-E261 PolarHBondContact NZ-OE2 2.91Å; L44-E261 HydrophobicContact CD1-CB 3.96Å; L44-E261 HydrophobicContact CD2-CB 3.82Å; L44-E261 HydrophobicContact CD2-CG 3.9Å; A257-E261 VanDerWaalsContact O-CB 3.28Å; A257-E261 WeakPolarHBondContact O-CB 3.3Å; A257-E261 PolarHBondContact O-N 2.9Å; D258-E261 PolarHBondContact O-N 3.03Å; L259-E261 VanDerWaalsContact C-N 3.27Å; L259-E261 PolarHBondContact O-N 3.32Å; E261-I263 VanDerWaalsContact C-N 3.28Å; E261-I263 PolarHBondContact O-N 3.01Å; E261-M264 PolarHBondContact O-N 2.93Å; E261-K265 HydrophobicContact CG-CD 3.84Å; E261-K265 HydrophobicContact CG-CG 4.39Å; E261-K265 WeakPolarHBondContact O-CB 3.43Å; E261-K265 PolarHBondContact O-N 2.83Å; E261-K265 IonicContact OE1-NZ 3.75Å; E261-K265 PolarHBondContact OE1-NZ 3.45Å; E261-L267 HydrophobicContact CG-CD1 3.95Å
262S98.8Very high98.7Very high0 Ų035.2 Ų35.20%017%0.174CC..Hα-helixtrans-59.4-39.9177.2-66.50000112.6D258 L259 N266 L267 H271D258-S262 PolarHBondContact O-N 3.42Å; D258-S262 VanDerWaalsContact O-N 3.14Å; D258-S262 PolarHBondContact O-OG 3.08Å; L259-S262 PolarHBondContact O-N 2.86Å; S262-N266 WeakPolarHBondContact O-CA 3.17Å; S262-N266 PolarHBondContact O-N 2.98Å; S262-L267 PolarHBondContact O-N 2.79Å; S262-H271 WeakPolarHBondContact CB-NE2 3.49Å; S262-H271 PolarHBondContact OG-CE1 3.45Å; S262-H271 PolarHBondContact OG-NE2 2.78Å
263I98.8Very high98.8Very high4 Ų434.4 Ų34.42%0.02117%0.17CC..Hα-helixtrans-69.8-55.9177.3-65.3164.5000110.7V91 I132 I159 L259 V260 E261 K265 N266 L295 G296 N297V91-I263 HydrophobicContact CG2-CB 4.32Å; V91-I263 HydrophobicContact CG2-CG2 3.56Å; I132-I263 HydrophobicContact CD1-CG2 3.42Å; I132-I263 VanDerWaalsContact CD1-CG2 3.42Å; I132-I263 HydrophobicContact CG2-CD1 4.19Å; I159-I263 HydrophobicContact CD1-CD1 4.26Å; L259-I263 WeakPolarHBondContact O-CG1 3.34Å; L259-I263 PolarHBondContact O-N 2.77Å; L259-I263 VanDerWaalsContact O-N 3.13Å; V260-I263 PolarHBondContact O-N 3.15Å; E261-I263 VanDerWaalsContact C-N 3.28Å; E261-I263 PolarHBondContact O-N 3.01Å; I263-K265 VanDerWaalsContact C-N 3.34Å; I263-K265 PolarHBondContact O-N 3.21Å; I263-N266 PolarHBondContact O-N 3.27Å; I263-L295 HydrophobicContact CG1-CB 4.4Å; I263-G296 WeakPolarHBondContact CA-O 3.4Å; I263-N297 VanDerWaalsContact O-CA 3.23Å; I263-N297 WeakPolarHBondContact O-CA 3.32Å; I263-N297 PolarHBondContact O-N 3.43Å
264M98.4Very high98.8Very high32 Ų3234.4 Ų34.416%0.15817%0.17CC..Hα-helixtrans-67.2-33.2-171.8-66.9-58.9-70.100112.9N21 V23 L44 K90 V91 V260 E261N21-M264 HydrophobicContact CB-CE 3.46Å; N21-M264 VanDerWaalsContact CB-CE 3.46Å; N21-M264 WeakPolarHBondContact O-CE 3.43Å; V23-M264 HydrophobicContact CG2-CE 4.24Å; V23-M264 HydrophobicContact CG2-SD 4.28Å; L44-M264 WeakPolarHBondContact O-CE 3.26Å; K90-M264 HydrophobicContact CB-CE 4.12Å; K90-M264 HydrophobicContact CB-SD 3.86Å; K90-M264 HydrophobicContact CG-CE 4.43Å; V91-M264 HydrophobicContact CG2-CG 4.35Å; V91-M264 HydrophobicContact CG2-SD 3.67Å; V260-M264 HydrophobicContact CG1-CG 3.67Å; V260-M264 VanDerWaalsContact O-CB 3.29Å; V260-M264 WeakPolarHBondContact O-CB 3.28Å; V260-M264 WeakPolarHBondContact O-CG 3.39Å; V260-M264 PolarHBondContact O-N 3.4Å; E261-M264 PolarHBondContact O-N 2.93Å
265K98.6Very high98.7Very high104 Ų10429 Ų2945%0.45214%0.143SC..THydrogen-bonded Turntrans-96.55.3178.6-60.6-175.5-176169.90113.4E261 I263 L267E261-K265 HydrophobicContact CG-CD 3.84Å; E261-K265 HydrophobicContact CG-CG 4.39Å; E261-K265 WeakPolarHBondContact O-CB 3.43Å; E261-K265 PolarHBondContact O-N 2.83Å; E261-K265 IonicContact OE1-NZ 3.75Å; E261-K265 PolarHBondContact OE1-NZ 3.45Å; I263-K265 VanDerWaalsContact C-N 3.34Å; I263-K265 PolarHBondContact O-N 3.21Å; K265-L267 HydrophobicContact CB-CD1 4.39Å; K265-L267 HydrophobicContact CB-CD2 3.6Å; K265-L267 HydrophobicContact CB-CG 3.78Å; K265-L267 PolarHBondContact O-N 2.99Å
266N98.6Very high98.7Very high58 Ų5829 Ų2931%0.3114%0.143SC..THydrogen-bonded Turntrans48.952.8-177.4-164.751.9000112.7S262 I263 H268 G296 N297S262-N266 WeakPolarHBondContact O-CA 3.17Å; S262-N266 PolarHBondContact O-N 2.98Å; I263-N266 PolarHBondContact O-N 3.27Å; N266-H268 PolarHBondContact ND2-NE2 2.86Å; N266-H268 PolarHBondContact O-CD2 3.11Å; N266-H268 PolarHBondContact OD1-NE2 3.41Å; N266-G296 WeakPolarHBondContact OD1-CA 3.43Å; N266-N297 HydrophobicContact CB-CB 3.99Å; N266-N297 PolarHBondContact OD1-N 2.79Å; N266-N297 PolarHBondContact OD1-OD1 3.26Å
267L98.6Very high98.6Very high67 Ų6729.2 Ų29.235%0.35114%0.144SC..  trans-81.1-19.2-169.6-60.6-175.9000114.2E261 S262 K265 K269E261-L267 HydrophobicContact CG-CD1 3.95Å; S262-L267 PolarHBondContact O-N 2.79Å; K265-L267 HydrophobicContact CB-CD1 4.39Å; K265-L267 HydrophobicContact CB-CD2 3.6Å; K265-L267 HydrophobicContact CB-CG 3.78Å; K265-L267 PolarHBondContact O-N 2.99Å; L267-K269 HydrophobicContact CB-CB 4.5Å; L267-K269 HydrophobicContact CB-CD 4.2Å; L267-K269 HydrophobicContact CB-CG 3.92Å; L267-K269 HydrophobicContact CD1-CD 3.85Å; L267-K269 HydrophobicContact CD1-CG 4.48Å; L267-K269 PolarHBondContact O-N 3.17Å
268H98.4Very high98.5Very high96 Ų9633.3 Ų33.344%0.44416%0.163SC..  trans54.236.7-173-65.7-127.6000111.9N266 V294 L295N266-H268 PolarHBondContact ND2-NE2 2.86Å; N266-H268 PolarHBondContact O-CD2 3.11Å; N266-H268 PolarHBondContact OD1-NE2 3.41Å; H268-V294 HydrophobicContact CB-CG1 3.73Å; H268-L295 WeakPolarHBondContact CA-O 3.29Å; H268-L295 PolarHBondContact N-O 2.94Å
269K98.5Very high98.2Very high88 Ų8834.4 Ų34.438%0.38319%0.186SC..EExtended strand (participates in β ladder)trans-78.4149.3173.5-78.5177.7175.6174.70110.2L267 H271 V294 L295L267-K269 HydrophobicContact CB-CB 4.5Å; L267-K269 HydrophobicContact CB-CD 4.2Å; L267-K269 HydrophobicContact CB-CG 3.92Å; L267-K269 HydrophobicContact CD1-CD 3.85Å; L267-K269 HydrophobicContact CD1-CG 4.48Å; L267-K269 PolarHBondContact O-N 3.17Å; K269-H271 VanDerWaalsContact CB-NE2 3.34Å; K269-H271 WeakPolarHBondContact CB-NE2 3.29Å; K269-H271 PolarHBondContact O-CD2 3.45Å; K269-V294 WeakPolarHBondContact O-CA 3.39Å; K269-L295 PolarHBondContact O-N 3.27Å
270V98.8Very high98Very high58 Ų5835.5 Ų35.535%0.35219%0.191SC..EExtended strand (participates in β ladder)trans-90.7127177.5-177.20000110.2W188 P292 C293 V294 I304W188-V270 HydrophobicContact CH2-CB 4.29Å; W188-V270 HydrophobicContact CH2-CG1 3.75Å; W188-V270 HydrophobicContact CZ3-CG1 4.23Å; V270-P292 HydrophobicContact CG1-CB 3.59Å; V270-C293 CarbonylContact C-O 3.57Å; V270-C293 VanDerWaalsContact CA-O 3.28Å; V270-C293 WeakPolarHBondContact CA-O 3.33Å; V270-V294 HydrophobicContact CG2-CG2 4.09Å; V270-I304 HydrophobicContact CG1-CG1 3.88Å; V270-I304 HydrophobicContact CG2-CD1 4.3Å; V270-I304 HydrophobicContact CG2-CG1 4.22Å
271H98.9Very high97.6Very high8 Ų837.2 Ų37.24%0.03720%0.199CC..EExtended strand (participates in β ladder)trans-133.2142.5177.8-59.1-91.3000110.7D258 L259 S262 K269 V273 P292 C293 L295D258-H271 IonicContact OD2-CE1 3.18Å; D258-H271 PolarHBondContact OD2-CE1 3.37Å; D258-H271 IonicContact OD2-ND1 2.63Å; D258-H271 PolarHBondContact OD2-ND1 3.18Å; L259-H271 HydrophobicContact CD2-CB 3.71Å; S262-H271 WeakPolarHBondContact CB-NE2 3.49Å; S262-H271 PolarHBondContact OG-CE1 3.45Å; S262-H271 PolarHBondContact OG-NE2 2.78Å; K269-H271 VanDerWaalsContact CB-NE2 3.34Å; K269-H271 WeakPolarHBondContact CB-NE2 3.29Å; K269-H271 PolarHBondContact O-CD2 3.45Å; H271-V273 HydrophobicContact CB-CG1 3.85Å; H271-V273 PolarHBondContact O-N 3.5Å; H271-P292 CarbonylContact O-C 3.56Å; H271-P292 WeakPolarHBondContact O-CA 3.41Å; H271-C293 PolarHBondContact N-O 2.98Å; H271-C293 PolarHBondContact O-N 2.91Å; H271-L295 HydrophobicContact CB-CD1 4.36Å
272P98.6Very high97.2Very high4 Ų438.6 Ų38.63%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-82.495.1171.230.1-18.6000108.5T163 N164 S167 W188T163-P272 CarbonylContact C-O 3.54Å; N164-P272 WeakPolarHBondContact CA-O 3.24Å; N164-P272 PolarHBondContact N-O 2.91Å; N164-P272 WeakPolarHBondContact OD1-CD 3.41Å; S167-P272 VanDerWaalsContact OG-CG 3.25Å; S167-P272 WeakPolarHBondContact OG-CG 3.24Å; W188-P272 HydrophobicContact CE3-CB 3.95Å; W188-P272 HydrophobicContact CE3-CG 3.77Å; W188-P272 HydrophobicContact CZ3-CB 4.22Å; W188-P272 HydrophobicContact CZ3-CG 3.88Å
273V98.9Very high97Very high0 Ų039 Ų390%022%0.224CC..EExtended strand (participates in β ladder)trans-124.6154.4-175.3-71.10000110.4I159 G160 N164 L259 H271 T275 S290 I291 C293 L295I159-V273 HydrophobicContact CG2-CB 3.81Å; I159-V273 HydrophobicContact CG2-CG1 4.28Å; I159-V273 HydrophobicContact CG2-CG2 3.87Å; G160-V273 WeakPolarHBondContact O-CB 3.36Å; N164-V273 HydrophobicContact CB-CG1 4.46Å; L259-V273 HydrophobicContact CD1-CG1 4.02Å; L259-V273 HydrophobicContact CD2-CG1 3.55Å; L259-V273 HydrophobicContact CG-CG1 4.46Å; H271-V273 HydrophobicContact CB-CG1 3.85Å; H271-V273 PolarHBondContact O-N 3.5Å; V273-T275 PolarHBondContact O-N 2.98Å; V273-S290 WeakPolarHBondContact O-CA 3.19Å; V273-I291 PolarHBondContact N-O 2.78Å; V273-I291 PolarHBondContact O-N 2.88Å; V273-C293 HydrophobicContact CG2-CB 3.77Å; V273-L295 HydrophobicContact CG1-CD1 4.39Å; V273-L295 HydrophobicContact CG2-CD2 4.26Å
274S98.8Very high96.7Very high0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-71.6123.9-178.4-164.20000111.1D141 G160 L289D141-S274 WeakPolarHBondContact OD1-CB 3.15Å; D141-S274 PolarHBondContact OD1-OG 3.35Å; G160-S274 PolarHBondContact N-O 3.39Å; G160-S274 PolarHBondContact O-N 2.8Å; S274-L289 WeakPolarHBondContact CA-O 3.35Å
275T98.5Very high96.5Very high2 Ų248.4 Ų48.41%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-144.7166.5179.5-172.10000110.8V273 V277 F288 L289 I291 L300V273-T275 PolarHBondContact O-N 2.98Å; T275-V277 HydrophobicContact CG2-CG1 4.27Å; T275-V277 WeakPolarHBondContact O-CG1 3.43Å; T275-V277 PolarHBondContact O-N 3.37Å; T275-F288 VanDerWaalsContact C-CD1 3.42Å; T275-F288 CarbonylContact O-C 3.58Å; T275-F288 WeakPolarHBondContact O-CA 3.44Å; T275-L289 PolarHBondContact N-O 3.19Å; T275-L289 PolarHBondContact O-N 3.4Å; T275-I291 HydrophobicContact CG2-CD1 3.88Å; T275-I291 HydrophobicContact CG2-CG1 3.58Å; T275-L300 VanDerWaalsContact CB-CD1 3.47Å; T275-L300 HydrophobicContact CG2-CD1 4.02Å; T275-L300 WeakPolarHBondContact OG1-CD1 3.33Å
276L97.9Very high96.3Very high11 Ų1146.4 Ų46.46%0.05826%0.259CS..EExtended strand (participates in β ladder)trans-67.8111.5174.8-179.265.1000110.7W148 Q278 E286 F288W148-L276 HydrophobicContact CH2-CD2 4.27Å; L276-Q278 HydrophobicContact CD1-CB 4.12Å; L276-Q278 HydrophobicContact CG-CB 4.22Å; L276-E286 HydrophobicContact CD1-CB 4.07Å; L276-F288 HydrophobicContact CB-CD2 4.28Å; L276-F288 HydrophobicContact CB-CE1 4.38Å; L276-F288 HydrophobicContact CB-CE2 3.8Å; L276-F288 HydrophobicContact CB-CZ 3.87Å; L276-F288 HydrophobicContact CD1-CD2 4.17Å; L276-F288 HydrophobicContact CD1-CE2 3.95Å; L276-F288 HydrophobicContact CG-CE2 4.41Å
277V96.7Very high96.3Very high5 Ų543.6 Ų43.63%0.0324%0.244CC..  trans-99.69.2-176.1-57.50000114.1T275 G279 M280 V283 V287 L289 I291T275-V277 HydrophobicContact CG2-CG1 4.27Å; T275-V277 WeakPolarHBondContact O-CG1 3.43Å; T275-V277 PolarHBondContact O-N 3.37Å; V277-G279 PolarHBondContact O-N 2.98Å; V277-M280 HydrophobicContact CB-SD 4.46Å; V277-M280 VanDerWaalsContact O-CB 3.29Å; V277-M280 WeakPolarHBondContact O-CB 3.21Å; V277-M280 PolarHBondContact O-N 2.94Å; V277-V283 HydrophobicContact CG2-CB 4.35Å; V277-V283 HydrophobicContact CG2-CG1 4.05Å; V277-V283 HydrophobicContact CG2-CG2 4.39Å; V277-V287 WeakPolarHBondContact CG2-O 3.3Å; V277-V287 PolarHBondContact N-O 3.02Å; V277-L289 HydrophobicContact CG1-CB 3.96Å; V277-L289 HydrophobicContact CG2-CB 4Å; V277-L289 HydrophobicContact CG2-CD1 3.96Å; V277-L289 HydrophobicContact CG2-CG 4.23Å; V277-I291 HydrophobicContact CG1-CD1 3.7Å; V277-I291 HydrophobicContact CG1-CG1 4Å; V277-I291 HydrophobicContact CG1-CG2 4.12Å
278Q96.1Very high96.2Very high86 Ų8640.5 Ų40.540%0.40223%0.227SC..THydrogen-bonded Turntrans-52.8129.5177.4-174178.245.200111.4L276 M280 K284 D285L276-Q278 HydrophobicContact CD1-CB 4.12Å; L276-Q278 HydrophobicContact CG-CB 4.22Å; Q278-M280 VanDerWaalsContact C-N 3.34Å; Q278-K284 WeakPolarHBondContact CG-O 3.42Å; Q278-K284 PolarHBondContact NE2-O 3.36Å; Q278-D285 WeakPolarHBondContact CB-O 3.42Å
279G94.1Very high96.2Very high72 Ų7235.9 Ų35.974%0.74221%0.206SC*.THydrogen-bonded Turntrans84.11.9-178.100000114.6V277 V283V277-G279 PolarHBondContact O-N 2.98Å; G279-V283 WeakPolarHBondContact CA-O 3.43Å; G279-V283 PolarHBondContact N-O 2.81Å
280M93.9Very high96.2Very high22 Ų2231.7 Ų31.711%0.10819%0.188CC..SBendtrans-108140.8179.6-53.2178.7-174.600110.5V277 Q278 G282 V283 I291 V303V277-M280 HydrophobicContact CB-SD 4.46Å; V277-M280 VanDerWaalsContact O-CB 3.29Å; V277-M280 WeakPolarHBondContact O-CB 3.21Å; V277-M280 PolarHBondContact O-N 2.94Å; Q278-M280 VanDerWaalsContact C-N 3.34Å; M280-G282 PolarHBondContact O-N 3.17Å; M280-G282 VanDerWaalsContact O-N 3.08Å; M280-V283 WeakPolarHBondContact O-CB 3.31Å; M280-V283 WeakPolarHBondContact O-CG2 3.45Å; M280-V283 PolarHBondContact O-N 3.42Å; M280-I291 HydrophobicContact SD-CD1 3.42Å; M280-I291 WeakPolarHBondContact SD-CD1 3.33Å; M280-V303 HydrophobicContact CE-CB 4.34Å; M280-V303 HydrophobicContact CE-CG1 4.17Å; M280-V303 HydrophobicContact CE-CG2 4.1Å; M280-V303 HydrophobicContact SD-CG1 3.93Å
281H91.8Very high96.2Very high36 Ų3629.2 Ų29.217%0.16717%0.173CC..THydrogen-bonded Turntrans49.340.2172.7-60.8-64000114.2V283 M306 E313 L316 V317H281-V283 VanDerWaalsContact C-N 3.27Å; H281-V283 PolarHBondContact O-N 3.26Å; H281-M306 PolarHBondContact CE1-O 2.83Å; H281-E313 VanDerWaalsContact CA-OE1 3.26Å; H281-E313 WeakPolarHBondContact CA-OE1 3.42Å; H281-E313 HydrophobicContact CB-CG 4.25Å; H281-E313 IonicContact ND1-OE1 3.69Å; H281-L316 HydrophobicContact CB-CD2 3.77Å; H281-V317 WeakPolarHBondContact O-CG2 3.44Å
282G89.1Confident96.1Very high58 Ų5829 Ų2960%0.59817%0.172SC*.THydrogen-bonded Turntrans77.9-3.7-179.400000116.3M280 K284M280-G282 PolarHBondContact O-N 3.17Å; M280-G282 VanDerWaalsContact O-N 3.08Å; G282-K284 PolarHBondContact O-N 3.28Å
283V94.2Very high96.2Very high9 Ų928.8 Ų28.86%0.05517%0.171CC..  trans-74.6122.7179.3-176.40000110.5V277 G279 M280 H281 A320V277-V283 HydrophobicContact CG2-CB 4.35Å; V277-V283 HydrophobicContact CG2-CG1 4.05Å; V277-V283 HydrophobicContact CG2-CG2 4.39Å; G279-V283 WeakPolarHBondContact CA-O 3.43Å; G279-V283 PolarHBondContact N-O 2.81Å; M280-V283 WeakPolarHBondContact O-CB 3.31Å; M280-V283 WeakPolarHBondContact O-CG2 3.45Å; M280-V283 PolarHBondContact O-N 3.42Å; H281-V283 VanDerWaalsContact C-N 3.27Å; H281-V283 PolarHBondContact O-N 3.26Å; V283-A320 HydrophobicContact CG1-CB 3.86Å; V283-A320 HydrophobicContact CG2-CB 3.79Å
284K92.6Very high96.2Very high172 Ų17229.5 Ų29.575%0.74818%0.175SC*.  trans-103.3-27-177-62.6-179.1-175.4174.50113.8Q278 G282Q278-K284 WeakPolarHBondContact CG-O 3.42Å; Q278-K284 PolarHBondContact NE2-O 3.36Å; G282-K284 PolarHBondContact O-N 3.28Å
285D94.9Very high96.2Very high61 Ų6129.5 Ų29.533%0.32618%0.175SC..SBendtrans-83.5158.8-175.5-56.1-74.1000111.8Q278 V287 W324Q278-D285 WeakPolarHBondContact CB-O 3.42Å; D285-V287 HydrophobicContact CB-CG2 3.91Å; D285-V287 PolarHBondContact O-N 3.44Å; D285-W324 HydrophobicContact CB-CD2 3.69Å; D285-W324 HydrophobicContact CB-CE3 3.8Å; D285-W324 HydrophobicContact CB-CG 4.06Å; D285-W324 HydrophobicContact CB-CH2 4.44Å; D285-W324 HydrophobicContact CB-CZ2 4.35Å; D285-W324 HydrophobicContact CB-CZ3 4.17Å; D285-W324 PolarHBondContact OD1-NE1 2.94Å
286E95.4Very high96.1Very high61 Ų6129.4 Ų29.429%0.28518%0.175SC..  trans-75.571.4175.9-70.6-168.6137.600111.2Y145 W148 K149 L276 Q327Y145-E286 HydrophobicContact CE2-CB 4.41Å; W148-E286 WeakPolarHBondContact CH2-OE1 3.06Å; K149-E286 IonicContact NZ-OE1 2.69Å; K149-E286 IonicContact NZ-OE2 3.84Å; K149-E286 PolarHBondContact NZ-OE2 3.25Å; L276-E286 HydrophobicContact CD1-CB 4.07Å; E286-Q327 PolarHBondContact O-NE2 3.05Å
287V96.6Very high96.1Very high0 Ų033.6 Ų33.60%020%0.197CC..  trans-109141.8-177.9-176.80000110.2V277 D285 L289 L323 W324V277-V287 WeakPolarHBondContact CG2-O 3.3Å; V277-V287 PolarHBondContact N-O 3.02Å; D285-V287 HydrophobicContact CB-CG2 3.91Å; D285-V287 PolarHBondContact O-N 3.44Å; V287-L289 HydrophobicContact CG1-CG 4.07Å; V287-L323 HydrophobicContact CG1-CB 3.81Å; V287-L323 HydrophobicContact CG1-CD1 4.14Å; V287-W324 HydrophobicContact CG2-CB 3.81Å; V287-W324 HydrophobicContact CG2-CD2 4.43Å; V287-W324 HydrophobicContact CG2-CE3 3.95Å; V287-W324 HydrophobicContact CG2-CG 4.42Å
288F98.3Very high96.1Very high1 Ų136.3 Ų36.30%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-92.5129.6169.2-82.4-114.6000109.5D141 T144 Y145 W148 T275 L276 L323D141-F288 WeakPolarHBondContact CB-O 3.29Å; D141-F288 WeakPolarHBondContact O-CB 3.06Å; T144-F288 HydrophobicContact CG2-CD1 3.4Å; T144-F288 HydrophobicContact CG2-CE1 3.63Å; T144-F288 HydrophobicContact CG2-CG 4.33Å; Y145-F288 HydrophobicContact CD2-CD2 4.07Å; Y145-F288 HydrophobicContact CD2-CE2 4.2Å; Y145-F288 HydrophobicContact CG-CD2 4.43Å; W148-F288 HydrophobicContact CB-CE2 4.34Å; W148-F288 HydrophobicContact CB-CZ 3.88Å; W148-F288 HydrophobicContact CD2-CE2 4.01Å; W148-F288 AromaticContact CD2-CZ 3.98Å; W148-F288 HydrophobicContact CD2-CZ 3.98Å; W148-F288 AromaticContact CE3-CE2 3.56Å; W148-F288 HydrophobicContact CE3-CE2 3.56Å; W148-F288 HydrophobicContact CE3-CZ 4.03Å; W148-F288 HydrophobicContact CG-CE2 4.34Å; W148-F288 AromaticContact CG-CZ 3.91Å; W148-F288 HydrophobicContact CG-CZ 3.91Å; W148-F288 HydrophobicContact CZ3-CE2 4.14Å; T275-F288 VanDerWaalsContact C-CD1 3.42Å; T275-F288 CarbonylContact O-C 3.58Å; T275-F288 WeakPolarHBondContact O-CA 3.44Å; L276-F288 HydrophobicContact CB-CD2 4.28Å; L276-F288 HydrophobicContact CB-CE1 4.38Å; L276-F288 HydrophobicContact CB-CE2 3.8Å; L276-F288 HydrophobicContact CB-CZ 3.87Å; L276-F288 HydrophobicContact CD1-CD2 4.17Å; L276-F288 HydrophobicContact CD1-CE2 3.95Å; L276-F288 HydrophobicContact CG-CE2 4.41Å; F288-L323 WeakPolarHBondContact O-CD1 3.46Å
289L97.5Very high96.2Very high0 Ų032.2 Ų32.20%020%0.197CC..EExtended strand (participates in β ladder)trans-146.9159.8176.4-75.1173.7000109.1E192 S274 T275 V277 V287 L316 A320 L323E192-L289 HydrophobicContact CB-CD2 4.14Å; S274-L289 WeakPolarHBondContact CA-O 3.35Å; T275-L289 PolarHBondContact N-O 3.19Å; T275-L289 PolarHBondContact O-N 3.4Å; V277-L289 HydrophobicContact CG1-CB 3.96Å; V277-L289 HydrophobicContact CG2-CB 4Å; V277-L289 HydrophobicContact CG2-CD1 3.96Å; V277-L289 HydrophobicContact CG2-CG 4.23Å; V287-L289 HydrophobicContact CG1-CG 4.07Å; L289-L316 HydrophobicContact CD1-CD1 4.24Å; L289-A320 HydrophobicContact CD1-CB 3.58Å; L289-L323 HydrophobicContact CD2-CD1 3.32Å; L289-L323 HydrophobicContact CD2-CG 4.21Å; L289-L323 HydrophobicContact CG-CD1 4.18Å
290S98.6Very high96.4Very high0 Ų029.6 Ų29.60%017%0.166CC..EExtended strand (participates in β ladder)trans-79.3125.2177.6-56.90000111.6G162 T163 I190 G191 V273G162-S290 WeakPolarHBondContact CA-OG 3.24Å; T163-S290 PolarHBondContact N-OG 3.22Å; T163-S290 WeakPolarHBondContact OG1-CB 3.32Å; I190-S290 CarbonylContact C-O 3.58Å; I190-S290 WeakPolarHBondContact CA-O 3.25Å; I190-S290 VanDerWaalsContact CB-O 3.31Å; I190-S290 WeakPolarHBondContact CB-O 3.3Å; G191-S290 PolarHBondContact N-O 3.29Å; G191-S290 WeakPolarHBondContact O-CB 3.4Å; G191-S290 PolarHBondContact O-N 3.39Å; V273-S290 WeakPolarHBondContact O-CA 3.19Å
291I98.3Very high96.6Very high5 Ų530.9 Ų30.93%0.02618%0.175CC..EExtended strand (participates in β ladder)trans-141160.4168.955.3174000108.6V273 T275 V277 M280 C293 V303V273-I291 PolarHBondContact N-O 2.78Å; V273-I291 PolarHBondContact O-N 2.88Å; T275-I291 HydrophobicContact CG2-CD1 3.88Å; T275-I291 HydrophobicContact CG2-CG1 3.58Å; V277-I291 HydrophobicContact CG1-CD1 3.7Å; V277-I291 HydrophobicContact CG1-CG1 4Å; V277-I291 HydrophobicContact CG1-CG2 4.12Å; M280-I291 HydrophobicContact SD-CD1 3.42Å; M280-I291 WeakPolarHBondContact SD-CD1 3.33Å; I291-C293 PolarHBondContact O-N 3.35Å; I291-C293 PolarHBondContact O-SG 3.45Å; I291-V303 HydrophobicContact CD1-CB 4.48Å; I291-V303 HydrophobicContact CD1-CG1 3.32Å; I291-V303 HydrophobicContact CD1-CG2 4.34Å; I291-V303 HydrophobicContact CG1-CG1 4.17Å
292P98.5Very high96.9Very high4 Ų433.4 Ų33.43%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-68.5121.6-178-1226.2000110.7W188 I190 V270 H271 I304 M306W188-P292 HydrophobicContact CD2-CG 4.46Å; W188-P292 HydrophobicContact CE3-CB 4.27Å; W188-P292 HydrophobicContact CE3-CG 4.15Å; W188-P292 HydrophobicContact CZ3-CB 4.09Å; W188-P292 HydrophobicContact CZ3-CG 4.47Å; I190-P292 HydrophobicContact CG2-CG 4.48Å; V270-P292 HydrophobicContact CG1-CB 3.59Å; H271-P292 CarbonylContact O-C 3.56Å; H271-P292 WeakPolarHBondContact O-CA 3.41Å; P292-I304 HydrophobicContact CB-CB 4.06Å; P292-I304 HydrophobicContact CB-CG1 4.2Å; P292-I304 PolarHBondContact O-N 2.84Å; P292-M306 VanDerWaalsContact CD-SD 3.51Å; P292-M306 HydrophobicContact CG-CE 4.25Å; P292-M306 HydrophobicContact CG-CG 3.91Å; P292-M306 HydrophobicContact CG-SD 3.41Å; P292-M306 WeakPolarHBondContact CG-SD 3.45Å
293C98.8Very high97.3Very high0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-127.1145.1-175.2-61.40000110.6V270 H271 V273 I291 L300 D302V270-C293 CarbonylContact C-O 3.57Å; V270-C293 VanDerWaalsContact CA-O 3.28Å; V270-C293 WeakPolarHBondContact CA-O 3.33Å; H271-C293 PolarHBondContact N-O 2.98Å; H271-C293 PolarHBondContact O-N 2.91Å; V273-C293 HydrophobicContact CG2-CB 3.77Å; I291-C293 PolarHBondContact O-N 3.35Å; I291-C293 PolarHBondContact O-SG 3.45Å; C293-L300 HydrophobicContact CB-CD1 3.69Å; C293-L300 HydrophobicContact CB-CG 3.88Å; C293-L300 WeakPolarHBondContact SG-CD1 3.31Å; C293-D302 CarbonylContact C-O 3.54Å; C293-D302 WeakPolarHBondContact CA-O 3.2Å
294V98.9Very high97.5Very high15 Ų1534.9 Ų34.99%0.09118%0.184CC..EExtended strand (participates in β ladder)trans-84.3124.6172.9-177.20000108.8H268 K269 V270 L300 T301 D302 I304H268-V294 HydrophobicContact CB-CG1 3.73Å; K269-V294 WeakPolarHBondContact O-CA 3.39Å; V270-V294 HydrophobicContact CG2-CG2 4.09Å; V294-L300 WeakPolarHBondContact O-CA 3.44Å; V294-T301 WeakPolarHBondContact CB-OG1 3.19Å; V294-T301 VanDerWaalsContact CG1-OG1 3.23Å; V294-T301 WeakPolarHBondContact CG1-OG1 3.44Å; V294-T301 PolarHBondContact O-N 2.98Å; V294-T301 PolarHBondContact O-OG1 2.67Å; V294-D302 HydrophobicContact CB-CB 3.92Å; V294-D302 HydrophobicContact CG2-CB 3.81Å; V294-D302 PolarHBondContact N-O 3.32Å; V294-I304 HydrophobicContact CG2-CD1 4.06Å
295L98.8Very high97.6Very high0 Ų033.3 Ų33.30%018%0.179CC..EExtended strand (participates in β ladder)trans-109.1130.8178.5-60.3-170.7000112I159 L259 I263 H268 K269 H271 V273 G299 L300I159-L295 HydrophobicContact CD1-CD2 3.84Å; L259-L295 HydrophobicContact CD2-CD1 3.78Å; I263-L295 HydrophobicContact CG1-CB 4.4Å; H268-L295 WeakPolarHBondContact CA-O 3.29Å; H268-L295 PolarHBondContact N-O 2.94Å; K269-L295 PolarHBondContact O-N 3.27Å; H271-L295 HydrophobicContact CB-CD1 4.36Å; V273-L295 HydrophobicContact CG1-CD1 4.39Å; V273-L295 HydrophobicContact CG2-CD2 4.26Å; L295-G299 WeakPolarHBondContact CA-O 3.49Å; L295-L300 HydrophobicContact CD2-CB 4.11Å
296G97.9Very high97.6Very high0 Ų032 Ų320%017%0.171CC..EExtended strand (participates in β ladder)trans-140.5-168.7174.900000112.1I263 N266 S298 G299I263-G296 WeakPolarHBondContact CA-O 3.4Å; N266-G296 WeakPolarHBondContact OD1-CA 3.43Å; G296-S298 PolarHBondContact O-N 3.26Å; G296-S298 VanDerWaalsContact O-N 3.08Å; G296-G299 PolarHBondContact N-O 3.19Å; G296-G299 PolarHBondContact O-N 3.48Å
297N96.3Very high97.6Very high98 Ų9835.5 Ų35.552%0.52420%0.197SC..THydrogen-bonded Turntrans-66.4-12.2-175.967.510.8000114.4I132 I263 N266I132-N297 WeakPolarHBondContact CD1-O 3.32Å; I263-N297 VanDerWaalsContact O-CA 3.23Å; I263-N297 WeakPolarHBondContact O-CA 3.32Å; I263-N297 PolarHBondContact O-N 3.43Å; N266-N297 HydrophobicContact CB-CB 3.99Å; N266-N297 PolarHBondContact OD1-N 2.79Å; N266-N297 PolarHBondContact OD1-OD1 3.26Å
298S97.1Very high97.6Very high62 Ų6236.7 Ų36.743%0.43420%0.203SC..THydrogen-bonded Turntrans-98.96.9175.8-60.30000112.4H156 G296H156-S298 PolarHBondContact ND1-O 2.92Å; G296-S298 PolarHBondContact O-N 3.26Å; G296-S298 VanDerWaalsContact O-N 3.08Å
299G98.3Very high97.5Very high0 Ų040.4 Ų40.40%022%0.219CC..EExtended strand (participates in β ladder)trans92.1-130-175.300000110.6H156 L295 G296 T301H156-G299 CarbonylContact O-C 3.16Å; H156-G299 WeakPolarHBondContact O-CA 3.34Å; L295-G299 WeakPolarHBondContact CA-O 3.49Å; G296-G299 PolarHBondContact N-O 3.19Å; G296-G299 PolarHBondContact O-N 3.48Å; G299-T301 PolarHBondContact O-N 3.36Å
300L98.2Very high97.4Very high17 Ų1745.1 Ų45.19%0.08925%0.25CS..EExtended strand (participates in β ladder)trans-79.4110.8177-175.1158.5000110.3H156 I159 T275 C293 V294 L295 V303H156-L300 HydrophobicContact CB-CB 4.46Å; H156-L300 VanDerWaalsContact CB-O 3.22Å; H156-L300 WeakPolarHBondContact CB-O 3.28Å; H156-L300 PolarHBondContact O-N 3.03Å; I159-L300 HydrophobicContact CD1-CB 4.49Å; T275-L300 VanDerWaalsContact CB-CD1 3.47Å; T275-L300 HydrophobicContact CG2-CD1 4.02Å; T275-L300 WeakPolarHBondContact OG1-CD1 3.33Å; C293-L300 HydrophobicContact CB-CD1 3.69Å; C293-L300 HydrophobicContact CB-CG 3.88Å; C293-L300 WeakPolarHBondContact SG-CD1 3.31Å; V294-L300 WeakPolarHBondContact O-CA 3.44Å; L295-L300 HydrophobicContact CD2-CB 4.11Å; L300-V303 HydrophobicContact CD2-CG2 4.02Å
301T97.9Very high97.2Very high50 Ų5051.8 Ų51.831%0.30728%0.281SS..EExtended strand (participates in β ladder)trans-88-41.1-179.362.40000111.8V294 G299V294-T301 WeakPolarHBondContact CB-OG1 3.19Å; V294-T301 VanDerWaalsContact CG1-OG1 3.23Å; V294-T301 WeakPolarHBondContact CG1-OG1 3.44Å; V294-T301 PolarHBondContact O-N 2.98Å; V294-T301 PolarHBondContact O-OG1 2.67Å; G299-T301 PolarHBondContact O-N 3.36Å
302D98.3Very high97.1Very high88 Ų8851.9 Ų51.947%0.47128%0.282SS..EExtended strand (participates in β ladder)trans-145.1159.5-172.7-50.9-90.6000111.4C293 V294C293-D302 CarbonylContact C-O 3.54Å; C293-D302 WeakPolarHBondContact CA-O 3.2Å; V294-D302 HydrophobicContact CB-CB 3.92Å; V294-D302 HydrophobicContact CG2-CB 3.81Å; V294-D302 PolarHBondContact N-O 3.32Å
303V98Very high97Very high28 Ų2855 Ų5517%0.1730%0.296CS..EExtended strand (participates in β ladder)trans-116.8134.6172.8173.30000108.8M280 I291 L300M280-V303 HydrophobicContact CE-CB 4.34Å; M280-V303 HydrophobicContact CE-CG1 4.17Å; M280-V303 HydrophobicContact CE-CG2 4.1Å; M280-V303 HydrophobicContact SD-CG1 3.93Å; I291-V303 HydrophobicContact CD1-CB 4.48Å; I291-V303 HydrophobicContact CD1-CG1 3.32Å; I291-V303 HydrophobicContact CD1-CG2 4.34Å; I291-V303 HydrophobicContact CG1-CG1 4.17Å; L300-V303 HydrophobicContact CD2-CG2 4.02Å
304I97.9Very high96.9Very high71 Ų7159.5 Ų59.536%0.36432%0.324SS..  trans-85.5114.5173.9-51.8-56.5000108.7V270 P292 V294 M306V270-I304 HydrophobicContact CG1-CG1 3.88Å; V270-I304 HydrophobicContact CG2-CD1 4.3Å; V270-I304 HydrophobicContact CG2-CG1 4.22Å; P292-I304 HydrophobicContact CB-CB 4.06Å; P292-I304 HydrophobicContact CB-CG1 4.2Å; P292-I304 PolarHBondContact O-N 2.84Å; V294-I304 HydrophobicContact CG2-CD1 4.06Å; I304-M306 PolarHBondContact O-N 2.79Å; I304-M306 VanDerWaalsContact O-N 3.13Å
305H94.3Very high96.8Very high139 Ų13963.1 Ų63.164%0.64434%0.339SS*.  trans-75.299.2173.7-70.4-73.6000110.3
306M95.1Very high96.7Very high32 Ų3263.3 Ų63.316%0.15834%0.341CS..  trans-72.2141.7-179.8-60-174.381.400111.3W188 I190 V200 H281 P292 I304 L308W188-M306 HydrophobicContact CB-CE 4.19Å; W188-M306 HydrophobicContact CG-CE 4.24Å; I190-M306 HydrophobicContact CD1-SD 4.08Å; I190-M306 HydrophobicContact CG2-SD 4.03Å; V200-M306 HydrophobicContact CB-CE 4.11Å; V200-M306 HydrophobicContact CG1-CE 3.8Å; V200-M306 HydrophobicContact CG2-CE 3.98Å; V200-M306 HydrophobicContact CG2-SD 4.43Å; H281-M306 PolarHBondContact CE1-O 2.83Å; P292-M306 VanDerWaalsContact CD-SD 3.51Å; P292-M306 HydrophobicContact CG-CE 4.25Å; P292-M306 HydrophobicContact CG-CG 3.91Å; P292-M306 HydrophobicContact CG-SD 3.41Å; P292-M306 WeakPolarHBondContact CG-SD 3.45Å; I304-M306 PolarHBondContact O-N 2.79Å; I304-M306 VanDerWaalsContact O-N 3.13Å; M306-L308 HydrophobicContact CB-CD2 3.83Å; M306-L308 HydrophobicContact CB-CG 4.08Å; M306-L308 HydrophobicContact CE-CD2 4.48Å; M306-L308 PolarHBondContact O-N 3.14Å; M306-L308 HydrophobicContact SD-CD2 4.28Å
307T95.8Very high96.6Very high135 Ų13565.2 Ų65.283%0.82835%0.352SS*.  trans-85.785.3168480000109.6
308L96.6Very high96.6Very high25 Ų2567 Ų6713%0.13136%0.355CS..  trans-79.4148.8-179.8-59.4-179.5000111.5I190 V200 M306 E312 E313 L316I190-L308 HydrophobicContact CD1-CD1 4.07Å; I190-L308 HydrophobicContact CD1-CD2 4.09Å; V200-L308 HydrophobicContact CB-CD2 4.5Å; V200-L308 HydrophobicContact CG1-CD2 3.64Å; V200-L308 HydrophobicContact CG2-CD2 3.98Å; M306-L308 HydrophobicContact CB-CD2 3.83Å; M306-L308 HydrophobicContact CB-CG 4.08Å; M306-L308 HydrophobicContact CE-CD2 4.48Å; M306-L308 PolarHBondContact O-N 3.14Å; M306-L308 HydrophobicContact SD-CD2 4.28Å; L308-E312 HydrophobicContact CB-CB 4.17Å; L308-E312 HydrophobicContact CD2-CB 4.42Å; L308-E313 HydrophobicContact CB-CB 4.3Å; L308-L316 HydrophobicContact CD1-CD2 3.86Å
309K96Very high96.5Very high79 Ų7964.1 Ų64.134%0.34334%0.335SS..  trans-71.4156.3165.4-69.4-172.9177.3-1740110.5E311 E312 E313K309-E311 PolarHBondContact O-N 3.12Å; K309-E311 VanDerWaalsContact O-N 3.11Å; K309-E312 HydrophobicContact CB-CG 4.3Å; K309-E312 PolarHBondContact N-OE2 2.91Å; K309-E312 PolarHBondContact O-N 2.93Å; K309-E313 PolarHBondContact O-N 3.24Å
310P96.1Very high96.4Very high100 Ų10064.3 Ų64.365%0.64934%0.337SS*.Hα-helixtrans-53.1-36.4179.1-28.635.8000114.3T314P310-T314 WeakPolarHBondContact O-CB 3.4Å; P310-T314 PolarHBondContact O-N 3.37Å; P310-T314 PolarHBondContact O-OG1 3.21Å
311E94.7Very high96.2Very high139 Ų13969.3 Ų69.365%0.6536%0.359SS*.Hα-helixtrans-68.9-41.9177.3-67.2145.2-16600112.3K309 T314 Q315K309-E311 PolarHBondContact O-N 3.12Å; K309-E311 VanDerWaalsContact O-N 3.11Å; E311-T314 PolarHBondContact O-N 3.43Å; E311-Q315 VanDerWaalsContact O-CG 3.3Å; E311-Q315 WeakPolarHBondContact O-CG 3.33Å; E311-Q315 PolarHBondContact O-N 3.05Å
312E96.4Very high95.9Very high8 Ų869.7 Ų69.74%0.03736%0.362CS..Hα-helixtrans-67-41.6177.1-64.8168.4154.600110.6V198 V200 W201 S202 L308 K309 Q315 L316V198-E312 HydrophobicContact CG1-CB 4.43Å; V200-E312 WeakPolarHBondContact CA-OE1 3.49Å; W201-E312 PolarHBondContact N-OE1 2.72Å; S202-E312 WeakPolarHBondContact CB-OE1 3.49Å; S202-E312 PolarHBondContact N-OE1 3.42Å; S202-E312 VanDerWaalsContact OG-CD 3.31Å; S202-E312 PolarHBondContact OG-OE1 3.04Å; S202-E312 VanDerWaalsContact OG-OE1 3.09Å; S202-E312 PolarHBondContact OG-OE2 3.38Å; L308-E312 HydrophobicContact CB-CB 4.17Å; L308-E312 HydrophobicContact CD2-CB 4.42Å; K309-E312 HydrophobicContact CB-CG 4.3Å; K309-E312 PolarHBondContact N-OE2 2.91Å; K309-E312 PolarHBondContact O-N 2.93Å; E312-Q315 PolarHBondContact O-N 2.66Å; E312-L316 PolarHBondContact O-N 3.43Å
313E96.5Very high95.7Very high68 Ų6865.5 Ų65.532%0.31834%0.34SS..Hα-helixtrans-64.6-42.1174.7-175164-152.300111.7H281 L308 K309 Q315 L316 V317H281-E313 VanDerWaalsContact CA-OE1 3.26Å; H281-E313 WeakPolarHBondContact CA-OE1 3.42Å; H281-E313 HydrophobicContact CB-CG 4.25Å; H281-E313 IonicContact ND1-OE1 3.69Å; L308-E313 HydrophobicContact CB-CB 4.3Å; K309-E313 PolarHBondContact O-N 3.24Å; E313-Q315 VanDerWaalsContact C-N 3.33Å; E313-Q315 PolarHBondContact O-N 2.83Å; E313-L316 PolarHBondContact O-N 3.42Å; E313-V317 WeakPolarHBondContact O-CG2 3.33Å; E313-V317 PolarHBondContact O-N 3.49Å
314T96.7Very high95.5Very high96 Ų9668 Ų6859%0.58935%0.346SS*.Hα-helixtrans-60.7-41.9175.3-60.60000111.6P310 E311 K318P310-T314 WeakPolarHBondContact O-CB 3.4Å; P310-T314 PolarHBondContact O-N 3.37Å; P310-T314 PolarHBondContact O-OG1 3.21Å; E311-T314 PolarHBondContact O-N 3.43Å; T314-K318 WeakPolarHBondContact O-CB 3.44Å; T314-K318 PolarHBondContact O-N 3.42Å
315Q96.2Very high95.2Very high90 Ų9065.7 Ų65.742%0.42134%0.34SS..Hα-helixtrans-64.3-42.5175.8-70.7172.423.400111.5V198 E311 E312 E313 V317 K318 S319V198-Q315 HydrophobicContact CG1-CB 4.09Å; V198-Q315 HydrophobicContact CG2-CB 3.74Å; E311-Q315 VanDerWaalsContact O-CG 3.3Å; E311-Q315 WeakPolarHBondContact O-CG 3.33Å; E311-Q315 PolarHBondContact O-N 3.05Å; E312-Q315 PolarHBondContact O-N 2.66Å; E313-Q315 VanDerWaalsContact C-N 3.33Å; E313-Q315 PolarHBondContact O-N 2.83Å; Q315-V317 PolarHBondContact O-N 3.44Å; Q315-K318 WeakPolarHBondContact O-CB 3.33Å; Q315-K318 PolarHBondContact O-N 2.96Å; Q315-S319 PolarHBondContact O-N 3.49Å; Q315-S319 PolarHBondContact O-OG 3.18Å; Q315-S319 VanDerWaalsContact O-OG 3.04Å
316L96.6Very high95Very high5 Ų560.1 Ų60.13%0.02632%0.316CS..Hα-helixtrans-62.2-43.5178-177.165.9000112.1I190 G191 V198 H281 L289 L308 E312 E313 K318 S319 A320I190-L316 HydrophobicContact CD1-CD1 4.25Å; I190-L316 HydrophobicContact CD1-CD2 4.24Å; I190-L316 HydrophobicContact CG1-CD1 4.34Å; G191-L316 VanDerWaalsContact CA-CD1 3.49Å; V198-L316 HydrophobicContact CG2-CB 4.45Å; H281-L316 HydrophobicContact CB-CD2 3.77Å; L289-L316 HydrophobicContact CD1-CD1 4.24Å; L308-L316 HydrophobicContact CD1-CD2 3.86Å; E312-L316 PolarHBondContact O-N 3.43Å; E313-L316 PolarHBondContact O-N 3.42Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 3.38Å; L316-S319 WeakPolarHBondContact O-CB 3.45Å; L316-S319 PolarHBondContact O-N 3.17Å; L316-A320 PolarHBondContact O-N 3.49Å
317V96.5Very high94.9Very high39 Ų3959 Ų5924%0.23631%0.31CS..Hα-helixtrans-61.2-42.5174.61720000110.7H281 E313 Q315 S319 A320 E321H281-V317 WeakPolarHBondContact O-CG2 3.44Å; E313-V317 WeakPolarHBondContact O-CG2 3.33Å; E313-V317 PolarHBondContact O-N 3.49Å; Q315-V317 PolarHBondContact O-N 3.44Å; V317-S319 VanDerWaalsContact C-N 3.33Å; V317-S319 PolarHBondContact O-N 2.93Å; V317-A320 WeakPolarHBondContact O-CA 3.32Å; V317-A320 VanDerWaalsContact O-CB 3.32Å; V317-A320 WeakPolarHBondContact O-CB 3.33Å; V317-A320 PolarHBondContact O-N 2.9Å; V317-E321 HydrophobicContact CG1-CG 4.41Å; V317-E321 WeakPolarHBondContact O-CG 3.21Å; V317-E321 PolarHBondContact O-N 3.17Å
318K95.9Very high94.7Very high136 Ų13659 Ų5959%0.59130%0.298SS*.Hα-helixtrans-62.2-38.4176.7-173.6-179.6179.5-176.90112.6T314 Q315 L316 A320 E321 T322T314-K318 WeakPolarHBondContact O-CB 3.44Å; T314-K318 PolarHBondContact O-N 3.42Å; Q315-K318 WeakPolarHBondContact O-CB 3.33Å; Q315-K318 PolarHBondContact O-N 2.96Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 3.38Å; K318-A320 VanDerWaalsContact C-N 3.31Å; K318-E321 PolarHBondContact O-N 3.32Å; K318-T322 WeakPolarHBondContact O-CB 3.31Å; K318-T322 PolarHBondContact O-N 3.31Å; K318-T322 PolarHBondContact O-OG1 2.87Å
319S94.4Very high94.4Very high1 Ų163 Ų631%0.00732%0.316CS..Hα-helixtrans-60.6-43.2171.7-45.60000110.9S196 Q315 L316 V317 T322 L323S196-S319 PolarHBondContact O-OG 2.98Å; S196-S319 WeakPolarHBondContact OG-CA 3.4Å; S196-S319 WeakPolarHBondContact OG-CB 3.28Å; S196-S319 PolarHBondContact OG-OG 3.39Å; Q315-S319 PolarHBondContact O-N 3.49Å; Q315-S319 PolarHBondContact O-OG 3.18Å; Q315-S319 VanDerWaalsContact O-OG 3.04Å; L316-S319 WeakPolarHBondContact O-CB 3.45Å; L316-S319 PolarHBondContact O-N 3.17Å; V317-S319 VanDerWaalsContact C-N 3.33Å; V317-S319 PolarHBondContact O-N 2.93Å; S319-T322 PolarHBondContact O-N 3.23Å; S319-L323 PolarHBondContact O-N 2.89Å
320A95.7Very high94.1Very high5 Ų560.3 Ų60.34%0.04131%0.305CS..Hα-helixtrans-62.6-45.9178.700000111.9V283 L289 L316 V317 K318 T322 L323 W324V283-A320 HydrophobicContact CG1-CB 3.86Å; V283-A320 HydrophobicContact CG2-CB 3.79Å; L289-A320 HydrophobicContact CD1-CB 3.58Å; L316-A320 PolarHBondContact O-N 3.49Å; V317-A320 WeakPolarHBondContact O-CA 3.32Å; V317-A320 VanDerWaalsContact O-CB 3.32Å; V317-A320 WeakPolarHBondContact O-CB 3.33Å; V317-A320 PolarHBondContact O-N 2.9Å; K318-A320 VanDerWaalsContact C-N 3.31Å; A320-T322 VanDerWaalsContact C-N 3.31Å; A320-T322 PolarHBondContact O-N 3.29Å; A320-L323 PolarHBondContact O-N 3.16Å; A320-W324 VanDerWaalsContact O-CB 3.27Å; A320-W324 WeakPolarHBondContact O-CB 3.19Å; A320-W324 PolarHBondContact O-N 3.42Å
321E94.9Very high93.7Very high121 Ų12160.1 Ų60.157%0.56530%0.303SS*.Hα-helixtrans-60.7-40.3176.5-71.4176.1168.900112V317 K318 W324 G325V317-E321 HydrophobicContact CG1-CG 4.41Å; V317-E321 WeakPolarHBondContact O-CG 3.21Å; V317-E321 PolarHBondContact O-N 3.17Å; K318-E321 PolarHBondContact O-N 3.32Å; E321-W324 PolarHBondContact O-N 3.2Å; E321-G325 PolarHBondContact O-N 3.31Å
322T91.5Very high93.3Very high58 Ų5857.3 Ų57.336%0.35629%0.292SS..Hα-helixtrans-63.2-47.5178.6-60.20000111K318 S319 A320 G325K318-T322 WeakPolarHBondContact O-CB 3.31Å; K318-T322 PolarHBondContact O-N 3.31Å; K318-T322 PolarHBondContact O-OG1 2.87Å; S319-T322 PolarHBondContact O-N 3.23Å; A320-T322 VanDerWaalsContact C-N 3.31Å; A320-T322 PolarHBondContact O-N 3.29Å; T322-G325 PolarHBondContact O-N 2.95Å
323L93.4Very high93.1Very high1 Ų159.8 Ų59.81%0.00530%0.304CS..Hα-helixtrans-68-41.9177.3-68-169.1000112.3D141 I142 E192 V287 F288 L289 S319 A320 G325 V326 Q327D141-L323 HydrophobicContact CB-CD1 3.44Å; D141-L323 VanDerWaalsContact CB-CD1 3.44Å; I142-L323 HydrophobicContact CD1-CD2 4Å; I142-L323 HydrophobicContact CG1-CD2 3.98Å; E192-L323 HydrophobicContact CB-CD1 4.45Å; E192-L323 HydrophobicContact CG-CD1 4.45Å; E192-L323 HydrophobicContact CG-CD2 4Å; E192-L323 HydrophobicContact CG-CG 4.39Å; E192-L323 WeakPolarHBondContact OE1-CD2 3.08Å; V287-L323 HydrophobicContact CG1-CB 3.81Å; V287-L323 HydrophobicContact CG1-CD1 4.14Å; F288-L323 WeakPolarHBondContact O-CD1 3.46Å; L289-L323 HydrophobicContact CD2-CD1 3.32Å; L289-L323 HydrophobicContact CD2-CG 4.21Å; L289-L323 HydrophobicContact CG-CD1 4.18Å; S319-L323 PolarHBondContact O-N 2.89Å; A320-L323 PolarHBondContact O-N 3.16Å; L323-G325 VanDerWaalsContact C-N 3.27Å; L323-G325 PolarHBondContact O-N 2.98Å; L323-V326 PolarHBondContact O-N 3.42Å; L323-V326 VanDerWaalsContact O-N 3.15Å; L323-Q327 WeakPolarHBondContact O-CB 3.42Å; L323-Q327 PolarHBondContact O-N 2.75Å
324W94Very high92.9Very high80 Ų8059.3 Ų59.330%0.30330%0.304SS..Hα-helixtrans-59.4-40.2176.2-179.5-121.8000112.2D285 V287 A320 E321 V326 Q327 K328D285-W324 HydrophobicContact CB-CD2 3.69Å; D285-W324 HydrophobicContact CB-CE3 3.8Å; D285-W324 HydrophobicContact CB-CG 4.06Å; D285-W324 HydrophobicContact CB-CH2 4.44Å; D285-W324 HydrophobicContact CB-CZ2 4.35Å; D285-W324 HydrophobicContact CB-CZ3 4.17Å; D285-W324 PolarHBondContact OD1-NE1 2.94Å; V287-W324 HydrophobicContact CG2-CB 3.81Å; V287-W324 HydrophobicContact CG2-CD2 4.43Å; V287-W324 HydrophobicContact CG2-CE3 3.95Å; V287-W324 HydrophobicContact CG2-CG 4.42Å; A320-W324 VanDerWaalsContact O-CB 3.27Å; A320-W324 WeakPolarHBondContact O-CB 3.19Å; A320-W324 PolarHBondContact O-N 3.42Å; E321-W324 PolarHBondContact O-N 3.2Å; W324-V326 PolarHBondContact O-N 3.06Å; W324-Q327 HydrophobicContact CE3-CB 4.33Å; W324-Q327 PolarHBondContact O-N 2.87Å; W324-Q327 VanDerWaalsContact O-N 3.15Å; W324-K328 HydrophobicContact CZ2-CB 4.45Å; W324-K328 WeakPolarHBondContact O-CG 3.28Å; W324-K328 PolarHBondContact O-N 3.14Å
325G92.5Very high92.7Very high23 Ų2357.3 Ų57.324%0.23729%0.288CS..Hα-helixtrans-54.3-39.2175.600000112.9E321 T322 L323 K328E321-G325 PolarHBondContact O-N 3.31Å; T322-G325 PolarHBondContact O-N 2.95Å; L323-G325 VanDerWaalsContact C-N 3.27Å; L323-G325 PolarHBondContact O-N 2.98Å; G325-K328 WeakPolarHBondContact O-CE 2.94Å; G325-K328 WeakPolarHBondContact O-CG 3.44Å
326V90.4Very high92.5Very high22 Ų2255.4 Ų55.413%0.13328%0.28CS..Hα-helixtrans-80-42.9174.8-177.60000111.2L107 V110 I142 L323 W324 K328 E329L107-V326 HydrophobicContact CD1-CG1 3.95Å; V110-V326 HydrophobicContact CG2-CG1 4.19Å; I142-V326 HydrophobicContact CD1-CB 3.95Å; I142-V326 HydrophobicContact CD1-CG1 3.77Å; L323-V326 PolarHBondContact O-N 3.42Å; L323-V326 VanDerWaalsContact O-N 3.15Å; W324-V326 PolarHBondContact O-N 3.06Å; V326-K328 PolarHBondContact O-N 3.01Å; V326-E329 PolarHBondContact O-N 3.32Å
327Q92Very high92.3Very high8 Ų858.5 Ų58.54%0.03730%0.296CS..Hα-helixtrans-62.5-39.4-173-168.7-179.3-67.700112.9Y145 E286 L323 W324 E329 L330Y145-Q327 HydrophobicContact CD1-CG 3.65Å; Y145-Q327 HydrophobicContact CE1-CG 3.54Å; Y145-Q327 HydrophobicContact CE2-CG 4.46Å; Y145-Q327 HydrophobicContact CG-CG 4.18Å; E286-Q327 PolarHBondContact O-NE2 3.05Å; L323-Q327 WeakPolarHBondContact O-CB 3.42Å; L323-Q327 PolarHBondContact O-N 2.75Å; W324-Q327 HydrophobicContact CE3-CB 4.33Å; W324-Q327 PolarHBondContact O-N 2.87Å; W324-Q327 VanDerWaalsContact O-N 3.15Å; Q327-E329 PolarHBondContact O-N 3.34Å; Q327-L330 HydrophobicContact CG-CD1 4.38Å; Q327-L330 WeakPolarHBondContact O-CB 3.49Å; Q327-L330 WeakPolarHBondContact O-CG 3.48Å; Q327-L330 PolarHBondContact O-N 3.1Å; Q327-L330 VanDerWaalsContact O-N 3.16Å
328K91.6Very high92Very high134 Ų13459.8 Ų59.858%0.58330%0.3SS*.THydrogen-bonded Turntrans-65.7-18.1179.873-173.9-177.8179.30113.8W324 G325 V326W324-K328 HydrophobicContact CZ2-CB 4.45Å; W324-K328 WeakPolarHBondContact O-CG 3.28Å; W324-K328 PolarHBondContact O-N 3.14Å; G325-K328 WeakPolarHBondContact O-CE 2.94Å; G325-K328 WeakPolarHBondContact O-CG 3.44Å; V326-K328 PolarHBondContact O-N 3.01Å
329E91.1Very high91.7Very high110 Ų11054.4 Ų54.451%0.51428%0.279SS..THydrogen-bonded Turntrans-93.4-4.4179.7-61.7-176.1-163.200112.3L107 V326 Q327L107-E329 HydrophobicContact CD1-CB 3.94Å; L107-E329 HydrophobicContact CD2-CB 4.49Å; L107-E329 VanDerWaalsContact CD2-OE2 3.28Å; L107-E329 WeakPolarHBondContact CD2-OE2 3.33Å; V326-E329 PolarHBondContact O-N 3.32Å; Q327-E329 PolarHBondContact O-N 3.34Å
330L89.5Confident91.5Very high22 Ų2258.5 Ų58.512%0.11530%0.3CS..  trans-75.7138.4-177.4-60.1-179.8000112.5L107 V110 V114 I142 V146 Q327L107-L330 HydrophobicContact CD1-CD2 4.24Å; V110-L330 HydrophobicContact CB-CD2 4.26Å; V110-L330 HydrophobicContact CG1-CD1 4.04Å; V110-L330 HydrophobicContact CG1-CD2 3.45Å; V110-L330 VanDerWaalsContact CG1-CD2 3.45Å; V110-L330 HydrophobicContact CG1-CG 4.39Å; V114-L330 HydrophobicContact CG2-CD1 4.42Å; V114-L330 HydrophobicContact CG2-CD2 4.39Å; I142-L330 HydrophobicContact CG2-CD1 3.57Å; V146-L330 HydrophobicContact CG2-CD1 4.06Å; Q327-L330 HydrophobicContact CG-CD1 4.38Å; Q327-L330 WeakPolarHBondContact O-CB 3.49Å; Q327-L330 WeakPolarHBondContact O-CG 3.48Å; Q327-L330 PolarHBondContact O-N 3.1Å; Q327-L330 VanDerWaalsContact O-N 3.16Å
331T87.3Confident91.2Very high96 Ų9662.9 Ų62.959%0.58932%0.321SS*.  trans-10097168.8-53.50000109.6Q111 K118Q111-T331 PolarHBondContact NE2-O 3.2Å; K118-T331 WeakPolarHBondContact CE-O 3.26Å; K118-T331 PolarHBondContact NZ-O 3.1Å
332L85.7Confident90.8Very high80 Ų8057.6 Ų57.642%0.41930%0.299SS..  trans-68.40177.1-67.4175.9000113.5K118 Y145 V146 K149K118-L332 WeakPolarHBondContact CD-OXT 3.5Å; K118-L332 VanDerWaalsContact CE-C 3.42Å; K118-L332 WeakPolarHBondContact CE-OXT 3.49Å; K118-L332 PolarHBondContact NZ-O 3.45Å; K118-L332 PolarHBondContact NZ-OXT 3.31Å; Y145-L332 HydrophobicContact CE1-CD1 4.07Å; V146-L332 HydrophobicContact CB-CD2 4.28Å; V146-L332 HydrophobicContact CG1-CD2 4.04Å; V146-L332 HydrophobicContact CG2-CD2 3.92Å; K149-L332 HydrophobicContact CB-CD1 3.73Å; K149-L332 HydrophobicContact CG-CD1 3.77Å

Retrieved 332 of 332 residues in 62.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).