KAPC1_CAEEL Loading...

Isoform m of cAMP-dependent protein kinase catalytic subunit AlphaSync

Canonical isoform description: Essential for larval development1. Controls the rhythmic contraction of enteric muscles probably by regulating G-protein coupled receptor aex-2-mediated calcium influx in GABAergic DVB neurons2. Plays a role in the control of oocyte meiotic maturation by gonadal sheath cells3. Isoforms a and b: May play a role in the regulation of neuromuscular junctions.

AlphaFold DB , UniProt , Accession P21137-13 (canonical: P21137), Species CAEEL (Caenorhabditis elegans), Gene kin-1, Length 349 aa.

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

 

Download Structure   AlphaSync Parameters   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
1M45.5Very low74.6Confident224 Ų22499.6 Ų99.6100%1.10356%0.561SS**  0-19.60-71.9179.2-173.200114
2S60.9Low76.2Confident103 Ų103102.2 Ų102.272%0.7256%0.561SS**Hα-helixtrans-69-40.3-176.756.20000115.4S4 S5 N6S2-S4 PolarHBondContact O-N 2.72Å; S2-S5 PolarHBondContact O-N 3.3Å; S2-N6 PolarHBondContact O-N 3.3Å; S2-N6 VanDerWaalsContact O-N 3.08Å
3S62.2Low77.7Confident86 Ų8699.1 Ų99.160%0.60154%0.539SS*.Hα-helixtrans-67.6-38.8-174.765.40000113.9N6 K7S3-N6 PolarHBondContact O-N 3.22Å; S3-K7 WeakPolarHBondContact O-CG 3.34Å; S3-K7 PolarHBondContact O-N 2.66Å; S3-K7 VanDerWaalsContact O-N 3.07Å
4S66.2Low78.9Confident71 Ų7192.4 Ų92.450%0.49750%0.502SS..Hα-helixtrans-69.2-38.2178.4-174.10000111.9S2 K7 K8S2-S4 PolarHBondContact O-N 2.72Å; S4-K7 PolarHBondContact O-N 3.36Å; S4-K8 PolarHBondContact O-N 3.18Å
5S70.8Confident79.9Confident72 Ų7295.4 Ų95.450%0.50351%0.509SS..Hα-helixtrans-61.9-47.3173.6-171.10000110.9S2 K7 K8 V9S2-S5 PolarHBondContact O-N 3.3Å; S5-K7 PolarHBondContact O-N 3.47Å; S5-K8 PolarHBondContact O-N 3.11Å; S5-K8 VanDerWaalsContact O-N 3.14Å; S5-V9 WeakPolarHBondContact O-CG2 3.43Å; S5-V9 PolarHBondContact O-N 2.89Å
6N78.8Confident81Confident80 Ų8096.6 Ų96.643%0.42851%0.51SS..Hα-helixtrans-62.3-41.4-179.5-16018.5000112.2S2 S3 K8 V9 Q10S2-N6 PolarHBondContact O-N 3.3Å; S2-N6 VanDerWaalsContact O-N 3.08Å; S3-N6 PolarHBondContact O-N 3.22Å; N6-K8 VanDerWaalsContact C-N 3.34Å; N6-K8 PolarHBondContact O-N 2.98Å; N6-V9 PolarHBondContact O-N 3.31Å; N6-Q10 WeakPolarHBondContact O-CG 3.49Å; N6-Q10 PolarHBondContact O-N 3.09Å
7K81.4Confident81.9Confident101 Ų10193.4 Ų93.444%0.43949%0.491SS..Hα-helixtrans-59.3-42.1174.5-74.4-171.3-179.6-156.20112.6S3 S4 S5 Q10 V11 N292S3-K7 WeakPolarHBondContact O-CG 3.34Å; S3-K7 PolarHBondContact O-N 2.66Å; S3-K7 VanDerWaalsContact O-N 3.07Å; S4-K7 PolarHBondContact O-N 3.36Å; S5-K7 PolarHBondContact O-N 3.47Å; K7-Q10 PolarHBondContact O-N 2.93Å; K7-V11 VanDerWaalsContact O-CG2 3.31Å; K7-V11 WeakPolarHBondContact O-CG2 3.24Å; K7-V11 PolarHBondContact O-N 3.29Å; K7-N292 WeakPolarHBondContact CE-OD1 3.34Å; K7-N292 PolarHBondContact NZ-OD1 2.9Å
8K85.6Confident82.8Confident155 Ų15589.4 Ų89.467%0.67447%0.47SS*.Hα-helixtrans-63.9-40.9176.8-74.9-176.3178.6-177.10112.1S4 S5 N6 V11 K12S4-K8 PolarHBondContact O-N 3.18Å; S5-K8 PolarHBondContact O-N 3.11Å; S5-K8 VanDerWaalsContact O-N 3.14Å; N6-K8 VanDerWaalsContact C-N 3.34Å; N6-K8 PolarHBondContact O-N 2.98Å; K8-V11 PolarHBondContact O-N 3.27Å; K8-K12 WeakPolarHBondContact O-CB 3.13Å; K8-K12 PolarHBondContact O-N 3.31Å
9V90.3Very high83.5Confident80 Ų8088.6 Ų88.649%0.48547%0.466SS..Hα-helixtrans-61.8-46.6175.9176.40000110.7S5 N6 K12 F13S5-V9 WeakPolarHBondContact O-CG2 3.43Å; S5-V9 PolarHBondContact O-N 2.89Å; N6-V9 PolarHBondContact O-N 3.31Å; V9-K12 PolarHBondContact O-N 3.2Å; V9-F13 WeakPolarHBondContact O-CB 3.35Å; V9-F13 PolarHBondContact O-N 3.48Å
10Q89.3Confident84.2Confident24 Ų2491.3 Ų91.311%0.11247%0.474CS..Hα-helixtrans-59.9-47.8177.1-69.8-177.5-800112.6N6 K7 K12 F13 F14 I302N6-Q10 WeakPolarHBondContact O-CG 3.49Å; N6-Q10 PolarHBondContact O-N 3.09Å; K7-Q10 PolarHBondContact O-N 2.93Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 2.71Å; Q10-F13 PolarHBondContact O-N 3.41Å; Q10-F14 VanDerWaalsContact O-CD2 3.27Å; Q10-F14 WeakPolarHBondContact O-CD2 3.43Å; Q10-F14 PolarHBondContact O-N 2.95Å; Q10-I302 HydrophobicContact CB-CD1 4.37Å; Q10-I302 HydrophobicContact CG-CD1 3.74Å; Q10-I302 HydrophobicContact CG-CG1 4Å
11V90.2Very high84.8Confident100 Ų10087.4 Ų87.461%0.60646%0.455SS*.Hα-helixtrans-61-43.5178.7170.90000111.2K7 K8 K15K7-V11 VanDerWaalsContact O-CG2 3.31Å; K7-V11 WeakPolarHBondContact O-CG2 3.24Å; K7-V11 PolarHBondContact O-N 3.29Å; K8-V11 PolarHBondContact O-N 3.27Å; V11-K15 WeakPolarHBondContact O-CB 3.41Å; V11-K15 PolarHBondContact O-N 3.07Å
12K93.5Very high87.3Confident130 Ų13081.9 Ų81.957%0.56542%0.422SS*.Hα-helixtrans-63.3-47.4177.6-176.1177.8172.9-177.60111.5K8 V9 Q10 F14 K15 E16K8-K12 WeakPolarHBondContact O-CB 3.13Å; K8-K12 PolarHBondContact O-N 3.31Å; V9-K12 PolarHBondContact O-N 3.2Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 2.71Å; K12-F14 PolarHBondContact O-N 3.02Å; K12-K15 PolarHBondContact O-N 2.94Å; K12-E16 WeakPolarHBondContact CE-OE1 3.47Å; K12-E16 IonicContact NZ-OE1 2.86Å; K12-E16 PolarHBondContact O-N 3.02Å
13F95.2Very high89Confident62 Ų6281.4 Ų81.427%0.27241%0.408SS..Hα-helixtrans-55.8-52.1178.7175.6-92.5000111.9V9 Q10 K15 E16 F17 I302 Y305V9-F13 WeakPolarHBondContact O-CB 3.35Å; V9-F13 PolarHBondContact O-N 3.48Å; Q10-F13 PolarHBondContact O-N 3.41Å; F13-K15 VanDerWaalsContact C-N 3.34Å; F13-K15 PolarHBondContact O-N 3.21Å; F13-E16 PolarHBondContact O-N 3.16Å; F13-F17 WeakPolarHBondContact O-CB 3.37Å; F13-F17 PolarHBondContact O-N 3.05Å; F13-I302 HydrophobicContact CB-CD1 4.12Å; F13-I302 HydrophobicContact CD1-CD1 4.31Å; F13-I302 HydrophobicContact CD1-CG1 3.93Å; F13-I302 HydrophobicContact CE1-CG1 4.39Å; F13-I302 HydrophobicContact CG-CD1 4.13Å; F13-I302 HydrophobicContact CG-CG1 4.26Å; F13-Y305 AromaticContact CE1-CD1 3.76Å; F13-Y305 HydrophobicContact CE1-CD1 3.76Å; F13-Y305 AromaticContact CE1-CE1 3.98Å; F13-Y305 HydrophobicContact CE1-CE1 3.98Å; F13-Y305 HydrophobicContact CE1-CG 4.48Å; F13-Y305 AromaticContact CZ-CD1 3.85Å; F13-Y305 HydrophobicContact CZ-CD1 3.85Å; F13-Y305 AromaticContact CZ-CE1 3.76Å; F13-Y305 HydrophobicContact CZ-CE1 3.76Å
14F94.6Very high90.7Very high5 Ų580.6 Ų80.62%0.02240%0.397CS..Hα-helixtrans-67.7-34.9-179.3-77.7-68.6000112.2Q10 K12 F17 L18 L151 W301 I302 Y305Q10-F14 VanDerWaalsContact O-CD2 3.27Å; Q10-F14 WeakPolarHBondContact O-CD2 3.43Å; Q10-F14 PolarHBondContact O-N 2.95Å; K12-F14 PolarHBondContact O-N 3.02Å; F14-F17 PolarHBondContact O-N 3.32Å; F14-L18 WeakPolarHBondContact O-CB 3.43Å; F14-L18 WeakPolarHBondContact O-CG 3.45Å; F14-L18 PolarHBondContact O-N 3.28Å; F14-L151 HydrophobicContact CD1-CD2 4.37Å; F14-L151 HydrophobicContact CE1-CD2 3.59Å; F14-L151 HydrophobicContact CE2-CD2 4.21Å; F14-L151 HydrophobicContact CZ-CD1 4.48Å; F14-L151 HydrophobicContact CZ-CD2 3.49Å; F14-L151 VanDerWaalsContact CZ-CD2 3.49Å; F14-W301 HydrophobicContact CE2-CB 3.73Å; F14-W301 HydrophobicContact CZ-CB 4.15Å; F14-I302 HydrophobicContact CE2-CG1 4.16Å; F14-Y305 HydrophobicContact CE1-CD2 4.34Å; F14-Y305 HydrophobicContact CE1-CG 4.23Å
15K94.6Very high92.2Very high138 Ų13877.3 Ų77.360%0.637%0.374SS*.Hα-helixtrans-61.2-51.2175.3-173.9-179.2177.9-174.10111.8V11 K12 F13 F17 L18 D19V11-K15 WeakPolarHBondContact O-CB 3.41Å; V11-K15 PolarHBondContact O-N 3.07Å; K12-K15 PolarHBondContact O-N 2.94Å; F13-K15 VanDerWaalsContact C-N 3.34Å; F13-K15 PolarHBondContact O-N 3.21Å; K15-F17 VanDerWaalsContact C-N 3.32Å; K15-F17 PolarHBondContact O-N 2.91Å; K15-L18 PolarHBondContact O-N 2.79Å; K15-D19 PolarHBondContact O-N 2.84Å
16E96.4Very high93.5Very high114 Ų11478.1 Ų78.153%0.53337%0.368SS..Hα-helixtrans-61.7-41.8179.2-71.2173.4177.200111.6K12 F13 K20K12-E16 WeakPolarHBondContact CE-OE1 3.47Å; K12-E16 IonicContact NZ-OE1 2.86Å; K12-E16 PolarHBondContact O-N 3.02Å; F13-E16 PolarHBondContact O-N 3.16Å; E16-K20 PolarHBondContact O-N 3.3Å
17F96.9Very high94.4Very high43 Ų4378.9 Ų78.919%0.18937%0.37CS..Hα-helixtrans-59.8-50.5174.7167.8-98.9000112.2F13 F14 K15 D19 K20 A21 F99 Y155 Y305F13-F17 WeakPolarHBondContact O-CB 3.37Å; F13-F17 PolarHBondContact O-N 3.05Å; F14-F17 PolarHBondContact O-N 3.32Å; K15-F17 VanDerWaalsContact C-N 3.32Å; K15-F17 PolarHBondContact O-N 2.91Å; F17-D19 VanDerWaalsContact C-N 3.33Å; F17-D19 PolarHBondContact O-N 2.77Å; F17-K20 PolarHBondContact O-N 3.45Å; F17-A21 HydrophobicContact CE1-CB 4.41Å; F17-A21 HydrophobicContact CZ-CB 4.24Å; F17-A21 VanDerWaalsContact O-CB 3.31Å; F17-A21 WeakPolarHBondContact O-CB 3.44Å; F17-A21 PolarHBondContact O-N 3.4Å; F17-F99 AromaticContact CE1-CD2 3.94Å; F17-F99 HydrophobicContact CE1-CD2 3.94Å; F17-F99 AromaticContact CE1-CE2 3.52Å; F17-F99 HydrophobicContact CE1-CE2 3.52Å; F17-F99 AromaticContact CZ-CD2 3.67Å; F17-F99 HydrophobicContact CZ-CD2 3.67Å; F17-F99 AromaticContact CZ-CE2 3.63Å; F17-F99 HydrophobicContact CZ-CE2 3.63Å; F17-Y155 AromaticContact CE1-CD2 3.98Å; F17-Y155 HydrophobicContact CE1-CD2 3.98Å; F17-Y155 HydrophobicContact CZ-CD2 4.14Å; F17-Y155 HydrophobicContact CZ-CE2 4.43Å; F17-Y305 HydrophobicContact CE1-CE2 4.44Å; F17-Y305 HydrophobicContact CE2-CE2 4.22Å; F17-Y305 AromaticContact CE2-CZ 3.94Å; F17-Y305 WeakPolarHBondContact CE2-OH 3.2Å; F17-Y305 HydrophobicContact CZ-CE2 4.11Å
18L97.4Very high95.1Very high21 Ų2178.6 Ų78.611%0.1137%0.366CS..Hα-helixtrans-66.8-33.9-176.9-68171.7000112.3F14 K15 R22 E154 Y155F14-L18 WeakPolarHBondContact O-CB 3.43Å; F14-L18 WeakPolarHBondContact O-CG 3.45Å; F14-L18 PolarHBondContact O-N 3.28Å; K15-L18 PolarHBondContact O-N 2.79Å; L18-R22 WeakPolarHBondContact O-CB 3.37Å; L18-R22 PolarHBondContact O-N 3.35Å; L18-E154 HydrophobicContact CD1-CG 3.94Å; L18-Y155 HydrophobicContact CD2-CD2 4.43Å
19D97Very high95.7Very high75 Ų7572.6 Ų72.640%0.40134%0.339SS..Hα-helixtrans-67.1-42.5176.4-74.5-26.3000111.4K15 F17 R22 E23K15-D19 PolarHBondContact O-N 2.84Å; F17-D19 VanDerWaalsContact C-N 3.33Å; F17-D19 PolarHBondContact O-N 2.77Å; D19-R22 PolarHBondContact O-N 3.48Å; D19-R22 IonicContact OD1-CZ 3.27Å; D19-R22 IonicContact OD1-NH1 3.73Å; D19-R22 PolarHBondContact OD1-NH1 3.32Å; D19-R22 IonicContact OD1-NH2 3.39Å; D19-E23 PolarHBondContact O-N 3.16Å
20K97.1Very high96Very high141 Ų14173.7 Ų73.761%0.61334%0.339SS*.Hα-helixtrans-64.2-47.9172.7-177.6178.8176.8-177.30111.7E16 F17 R22 E23 D24E16-K20 PolarHBondContact O-N 3.3Å; F17-K20 PolarHBondContact O-N 3.45Å; K20-R22 PolarHBondContact O-N 3.42Å; K20-E23 PolarHBondContact O-N 3.05Å; K20-E23 VanDerWaalsContact O-N 3.08Å; K20-D24 PolarHBondContact O-N 3.47Å
21A97.6Very high96.3Very high10 Ų1077.7 Ų77.78%0.08336%0.361CS..Hα-helixtrans-57.7-34.5179.600000112.7F17 F25 Y155F17-A21 HydrophobicContact CE1-CB 4.41Å; F17-A21 HydrophobicContact CZ-CB 4.24Å; F17-A21 VanDerWaalsContact O-CB 3.31Å; F17-A21 WeakPolarHBondContact O-CB 3.44Å; F17-A21 PolarHBondContact O-N 3.4Å; A21-F25 WeakPolarHBondContact O-CB 3.28Å; A21-F25 PolarHBondContact O-N 3.02Å; A21-Y155 HydrophobicContact CB-CD2 4.28Å; A21-Y155 HydrophobicContact CB-CE2 3.82Å
22R97.6Very high96.5Very high109 Ų10975.3 Ų75.341%0.41135%0.347SS..Hα-helixtrans-67.1-39.4176.8-167.6-174.9-58.9117.48.6112.5L18 D19 K20 K26 S158 L159L18-R22 WeakPolarHBondContact O-CB 3.37Å; L18-R22 PolarHBondContact O-N 3.35Å; D19-R22 PolarHBondContact O-N 3.48Å; D19-R22 IonicContact OD1-CZ 3.27Å; D19-R22 IonicContact OD1-NH1 3.73Å; D19-R22 PolarHBondContact OD1-NH1 3.32Å; D19-R22 IonicContact OD1-NH2 3.39Å; K20-R22 PolarHBondContact O-N 3.42Å; R22-K26 WeakPolarHBondContact O-CB 2.99Å; R22-K26 PolarHBondContact O-N 2.94Å; R22-S158 PolarHBondContact NE-O 2.96Å; R22-S158 VanDerWaalsContact NE-O 3.13Å; R22-L159 HydrophobicContact CB-CD2 4.08Å; R22-L159 HydrophobicContact CG-CD2 4.17Å
23E97.4Very high96.5Very high93 Ų9371.6 Ų71.644%0.43534%0.341SS..Hα-helixtrans-68.4-47.4176.3-174.256-146.400110.8D19 K20 F25 K26 Q27D19-E23 PolarHBondContact O-N 3.16Å; K20-E23 PolarHBondContact O-N 3.05Å; K20-E23 VanDerWaalsContact O-N 3.08Å; E23-F25 VanDerWaalsContact C-N 3.32Å; E23-F25 PolarHBondContact O-N 3.35Å; E23-K26 WeakPolarHBondContact O-CB 3.25Å; E23-K26 PolarHBondContact O-N 3.36Å; E23-K26 VanDerWaalsContact O-N 3.09Å; E23-Q27 WeakPolarHBondContact O-CG 3.39Å; E23-Q27 PolarHBondContact O-N 3.43Å; E23-Q27 PolarHBondContact OE1-NE2 3Å; E23-Q27 VanDerWaalsContact OE1-NE2 3.09Å
24D97.5Very high96.4Very high68 Ų6872.9 Ų72.936%0.36435%0.348SS..Hα-helixtrans-59-44.4177.2-68.2-22.4000111.2K20 K26 Q27 R28K20-D24 PolarHBondContact O-N 3.47Å; D24-K26 PolarHBondContact O-N 2.8Å; D24-Q27 PolarHBondContact O-N 3.24Å; D24-R28 WeakPolarHBondContact O-CG 3.25Å; D24-R28 PolarHBondContact O-N 3.18Å
25F98Very high96.5Very high2 Ų276.8 Ų76.81%0.00937%0.369CS..Hα-helixtrans-60.1-44.5174.4172.2-96.2000111.9A21 E23 Q27 R28 W29 A96 I97 L159 L161A21-F25 WeakPolarHBondContact O-CB 3.28Å; A21-F25 PolarHBondContact O-N 3.02Å; E23-F25 VanDerWaalsContact C-N 3.32Å; E23-F25 PolarHBondContact O-N 3.35Å; F25-Q27 PolarHBondContact O-N 2.89Å; F25-R28 PolarHBondContact O-N 3.12Å; F25-W29 HydrophobicContact CD1-CB 4.46Å; F25-W29 HydrophobicContact CE1-CB 4.15Å; F25-W29 HydrophobicContact CE1-CD2 4.3Å; F25-W29 HydrophobicContact CE1-CE3 4.32Å; F25-W29 HydrophobicContact CE1-CG 4.23Å; F25-W29 AromaticContact CE2-CE3 3.93Å; F25-W29 HydrophobicContact CE2-CE3 3.93Å; F25-W29 HydrophobicContact CZ-CB 4.27Å; F25-W29 AromaticContact CZ-CD2 3.89Å; F25-W29 HydrophobicContact CZ-CD2 3.89Å; F25-W29 AromaticContact CZ-CE3 3.48Å; F25-W29 HydrophobicContact CZ-CE3 3.48Å; F25-W29 VanDerWaalsContact CZ-CE3 3.48Å; F25-W29 HydrophobicContact CZ-CG 4.24Å; F25-W29 HydrophobicContact CZ-CZ3 4.14Å; F25-W29 WeakPolarHBondContact O-CB 3.34Å; F25-W29 PolarHBondContact O-N 3.3Å; F25-A96 HydrophobicContact CD2-CB 3.65Å; F25-A96 WeakPolarHBondContact CD2-O 3.1Å; F25-A96 HydrophobicContact CE2-CB 3.55Å; F25-A96 HydrophobicContact CZ-CB 4.44Å; F25-I97 HydrophobicContact CD2-CG2 4.23Å; F25-I97 HydrophobicContact CE2-CG2 4.09Å; F25-L159 HydrophobicContact CB-CD1 4.1Å; F25-L159 HydrophobicContact CB-CD2 3.74Å; F25-L159 HydrophobicContact CD1-CB 4.19Å; F25-L159 HydrophobicContact CD1-CD1 4.41Å; F25-L159 HydrophobicContact CD1-CD2 3.98Å; F25-L159 HydrophobicContact CD1-CG 4.42Å; F25-L159 HydrophobicContact CD2-CD1 3.68Å; F25-L159 HydrophobicContact CE1-CB 4.2Å; F25-L159 HydrophobicContact CE2-CD1 4.2Å; F25-L159 HydrophobicContact CG-CB 4.41Å; F25-L159 HydrophobicContact CG-CD1 3.8Å; F25-L159 HydrophobicContact CG-CD2 3.85Å; F25-L159 HydrophobicContact CG-CG 4.23Å; F25-L159 HydrophobicContact CZ-CB 4.44Å; F25-L161 HydrophobicContact CE2-CD1 3.89Å; F25-L161 HydrophobicContact CZ-CD1 4.08Å; F25-L161 HydrophobicContact CZ-CG 4.42Å
26K97.4Very high96.6Very high89 Ų8973.1 Ų73.139%0.38736%0.358SS..Hα-helixtrans-60.8-45.5-179.2-174.9-174.5172.3-164.10111.1R22 E23 D24 R28 W29 E30R22-K26 WeakPolarHBondContact O-CB 2.99Å; R22-K26 PolarHBondContact O-N 2.94Å; E23-K26 WeakPolarHBondContact O-CB 3.25Å; E23-K26 PolarHBondContact O-N 3.36Å; E23-K26 VanDerWaalsContact O-N 3.09Å; D24-K26 PolarHBondContact O-N 2.8Å; K26-R28 PolarHBondContact O-N 2.95Å; K26-W29 PolarHBondContact O-N 2.95Å; K26-E30 WeakPolarHBondContact CE-OE1 3.48Å; K26-E30 HydrophobicContact CG-CG 4.44Å; K26-E30 WeakPolarHBondContact CG-OE1 3.41Å; K26-E30 WeakPolarHBondContact O-CB 3.32Å; K26-E30 WeakPolarHBondContact O-CG 3.49Å; K26-E30 PolarHBondContact O-N 3.34Å
27Q97.1Very high96.7Very high97 Ų9768.6 Ų68.645%0.45334%0.341SS..Hα-helixtrans-58-48.6177.3-68.4-66.6-2600111.8E23 D24 F25 N31E23-Q27 WeakPolarHBondContact O-CG 3.39Å; E23-Q27 PolarHBondContact O-N 3.43Å; E23-Q27 PolarHBondContact OE1-NE2 3Å; E23-Q27 VanDerWaalsContact OE1-NE2 3.09Å; D24-Q27 PolarHBondContact O-N 3.24Å; F25-Q27 PolarHBondContact O-N 2.89Å; Q27-N31 WeakPolarHBondContact O-CB 3.28Å; Q27-N31 PolarHBondContact O-N 3.33Å; Q27-N31 VanDerWaalsContact O-N 3.08Å; Q27-N31 PolarHBondContact O-ND2 2.98Å
28R97.1Very high96.7Very high95 Ų9569.3 Ų69.336%0.35835%0.35SS..Hα-helixtrans-69.9-31.3178.6-62-179.3-163.1-178.68.9113D24 F25 K26 N31 A96 D98D24-R28 WeakPolarHBondContact O-CG 3.25Å; D24-R28 PolarHBondContact O-N 3.18Å; F25-R28 PolarHBondContact O-N 3.12Å; K26-R28 PolarHBondContact O-N 2.95Å; R28-N31 CarbonylContact O-C 3.46Å; R28-A96 HydrophobicContact CB-CB 4.04Å; R28-D98 IonicContact CZ-OD2 3.54Å; R28-D98 IonicContact NH1-OD2 3.24Å; R28-D98 PolarHBondContact NH1-OD2 3.04Å; R28-D98 IonicContact NH2-OD2 2.88Å; R28-D98 PolarHBondContact NH2-OD2 3.46Å
29W97Very high96.7Very high28 Ų2869.1 Ų69.111%0.10635%0.349CS..Hα-helixtrans-72.7-36.9179.1-178.5-88.2000113.1F25 K26 R92 I93 A96 R189F25-W29 HydrophobicContact CD1-CB 4.46Å; F25-W29 HydrophobicContact CE1-CB 4.15Å; F25-W29 HydrophobicContact CE1-CD2 4.3Å; F25-W29 HydrophobicContact CE1-CE3 4.32Å; F25-W29 HydrophobicContact CE1-CG 4.23Å; F25-W29 AromaticContact CE2-CE3 3.93Å; F25-W29 HydrophobicContact CE2-CE3 3.93Å; F25-W29 HydrophobicContact CZ-CB 4.27Å; F25-W29 AromaticContact CZ-CD2 3.89Å; F25-W29 HydrophobicContact CZ-CD2 3.89Å; F25-W29 AromaticContact CZ-CE3 3.48Å; F25-W29 HydrophobicContact CZ-CE3 3.48Å; F25-W29 VanDerWaalsContact CZ-CE3 3.48Å; F25-W29 HydrophobicContact CZ-CG 4.24Å; F25-W29 HydrophobicContact CZ-CZ3 4.14Å; F25-W29 WeakPolarHBondContact O-CB 3.34Å; F25-W29 PolarHBondContact O-N 3.3Å; K26-W29 PolarHBondContact O-N 2.95Å; W29-R92 HydrophobicContact CD2-CG 4.31Å; W29-R92 HydrophobicContact CE3-CG 3.9Å; W29-R92 HydrophobicContact CH2-CB 4.36Å; W29-R92 HydrophobicContact CH2-CG 3.88Å; W29-R92 HydrophobicContact CZ2-CG 4.28Å; W29-R92 HydrophobicContact CZ3-CB 4.17Å; W29-R92 HydrophobicContact CZ3-CG 3.67Å; W29-R92 PolarHBondContact O-NE 3.41Å; W29-R92 PolarHBondContact O-NH2 2.79Å; W29-I93 HydrophobicContact CH2-CG1 4.1Å; W29-I93 HydrophobicContact CZ3-CB 4.46Å; W29-I93 HydrophobicContact CZ3-CG1 3.66Å; W29-A96 HydrophobicContact CB-CB 4.25Å; W29-A96 HydrophobicContact CE3-CB 4.06Å; W29-R189 HydrophobicContact CH2-CB 4.31Å; W29-R189 HydrophobicContact CZ2-CB 4.36Å; W29-R189 VanDerWaalsContact NE1-NH1 3.12Å
30E96.5Very high96.8Very high103 Ų10371.3 Ų71.348%0.48136%0.361SS..Hα-helixtrans-80.5-27.9178.3-70.6174.8-179.900111.8K26 P32K26-E30 WeakPolarHBondContact CE-OE1 3.48Å; K26-E30 HydrophobicContact CG-CG 4.44Å; K26-E30 WeakPolarHBondContact CG-OE1 3.41Å; K26-E30 WeakPolarHBondContact O-CB 3.32Å; K26-E30 WeakPolarHBondContact O-CG 3.49Å; K26-E30 PolarHBondContact O-N 3.34Å; E30-P32 VanDerWaalsContact C-CD 3.48Å; E30-P32 VanDerWaalsContact O-CD 3.26Å; E30-P32 WeakPolarHBondContact O-CD 3.44Å
31N96Very high96.8Very high108 Ų10867.4 Ų67.458%0.57835%0.346SS*.SBendtrans-119.972.3-179.7-55.5-77.7000111.4Q27 R28 A33Q27-N31 WeakPolarHBondContact O-CB 3.28Å; Q27-N31 PolarHBondContact O-N 3.33Å; Q27-N31 VanDerWaalsContact O-N 3.08Å; Q27-N31 PolarHBondContact O-ND2 2.98Å; R28-N31 CarbonylContact O-C 3.46Å; N31-A33 PolarHBondContact O-N 3.41Å
32P93.8Very high96.9Very high50 Ų5067.1 Ų67.133%0.32534%0.343SS..  trans-66.6123.2-17730.1-37.4000111.5E30E30-P32 VanDerWaalsContact C-CD 3.48Å; E30-P32 VanDerWaalsContact O-CD 3.26Å; E30-P32 WeakPolarHBondContact O-CD 3.44Å
33A94.3Very high96.9Very high53 Ų5365.6 Ų65.644%0.43834%0.344SS..  trans-69.1139.6173.200000110.5N31 T36 K91 Q95N31-A33 PolarHBondContact O-N 3.41Å; A33-T36 HydrophobicContact CB-CG2 3.86Å; A33-K91 PolarHBondContact O-NZ 3.39Å; A33-Q95 PolarHBondContact O-OE1 2.92Å
34Q93.4Very high96.8Very high89 Ų8966.9 Ų66.942%0.41635%0.345SS..  trans-129.1147179.6-69.8179.7-11.900110.3T36 E348Q34-T36 PolarHBondContact O-N 3.09Å; Q34-E348 PolarHBondContact NE2-O 3.42Å
35N96Very high96.8Very high87 Ų8767.6 Ų67.647%0.46535%0.347SS..  trans47.556.7175.5-59.8-40.7000113.6A37 S108 K110N35-A37 VanDerWaalsContact C-N 3.29Å; N35-A37 PolarHBondContact O-N 3.43Å; N35-S108 VanDerWaalsContact CA-O 3.3Å; N35-S108 WeakPolarHBondContact CA-O 3.27Å; N35-S108 PolarHBondContact N-O 2.96Å; N35-K110 PolarHBondContact OD1-N 2.78Å
36T97.7Very high96.7Very high61 Ų6169.2 Ų69.237%0.37435%0.354SS..  trans-84.7-0-175.354.50000114.2A33 Q34 F107 S108A33-T36 HydrophobicContact CB-CG2 3.86Å; Q34-T36 PolarHBondContact O-N 3.09Å; T36-F107 VanDerWaalsContact OG1-CA 3.29Å; T36-F107 WeakPolarHBondContact OG1-CA 3.03Å; T36-S108 PolarHBondContact N-O 2.99Å; T36-S108 PolarHBondContact OG1-N 2.88Å; T36-S108 PolarHBondContact OG1-O 3.42Å
37A98.1Very high96.6Very high19 Ų1965 Ų6516%0.15734%0.336CS..SBendtrans-160.1-178.2173.600000109.5N35 F42 F107 F109N35-A37 VanDerWaalsContact C-N 3.29Å; N35-A37 PolarHBondContact O-N 3.43Å; A37-F42 HydrophobicContact CB-CE2 3.87Å; A37-F42 HydrophobicContact CB-CZ 4.14Å; A37-F107 HydrophobicContact CB-CB 3.86Å; A37-F107 HydrophobicContact CB-CD1 3.89Å; A37-F107 HydrophobicContact CB-CG 3.96Å; A37-F109 HydrophobicContact CB-CD1 3.9Å; A37-F109 HydrophobicContact CB-CE1 4.09Å; A37-F109 WeakPolarHBondContact O-CB 3.25Å; A37-F109 VanDerWaalsContact O-CG 3.25Å; A37-F109 WeakPolarHBondContact O-CG 3.4Å
38C97.6Very high96.5Very high57 Ų5760.8 Ų60.839%0.38532%0.317SS..  trans-131.8167.2168.274.10000111.5D40 D41 F42C38-D40 VanDerWaalsContact C-N 3.25Å; C38-D40 PolarHBondContact O-N 3.34Å; C38-D41 PolarHBondContact N-OD2 2.65Å; C38-D41 WeakPolarHBondContact O-CB 3.3Å; C38-D41 PolarHBondContact O-N 2.88Å; C38-D41 PolarHBondContact SG-OD2 2.92Å; C38-F42 VanDerWaalsContact O-CD2 3.29Å; C38-F42 WeakPolarHBondContact O-CD2 3.43Å; C38-F42 WeakPolarHBondContact O-CE2 3.23Å
39L97.4Very high96.3Very high18 Ų1857 Ų579%0.09431%0.307CS..G310 helixtrans-63.4-33.3-176.1-172.964.3000112.6D41 F42 M70 F109 Y116 L334 I336L39-D41 PolarHBondContact O-N 3.2Å; L39-F42 PolarHBondContact O-N 3.46Å; L39-M70 HydrophobicContact CD1-CE 4.2Å; L39-M70 HydrophobicContact CD1-SD 3.85Å; L39-F109 HydrophobicContact CB-CE2 3.93Å; L39-F109 HydrophobicContact CB-CZ 4.35Å; L39-F109 HydrophobicContact CD1-CE2 4.49Å; L39-F109 HydrophobicContact CD1-CZ 4.42Å; L39-F109 VanDerWaalsContact N-CE2 3.31Å; L39-Y116 HydrophobicContact CD1-CD1 4.19Å; L39-Y116 HydrophobicContact CD1-CE1 3.68Å; L39-L334 HydrophobicContact CD1-CD2 4.28Å; L39-L334 HydrophobicContact CD2-CD2 3.75Å; L39-I336 HydrophobicContact CD2-CD1 3.63Å
40D97.5Very high96Very high120 Ų12059.6 Ų59.664%0.64233%0.326SS*.G310 helixtrans-71-11.9-177.8-71.8-20.6000113.1C38 F42 K62C38-D40 VanDerWaalsContact C-N 3.25Å; C38-D40 PolarHBondContact O-N 3.34Å; D40-F42 PolarHBondContact O-N 3.25Å; D40-K62 WeakPolarHBondContact O-CD 3.42Å; D40-K62 VanDerWaalsContact O-CE 3.29Å; D40-K62 WeakPolarHBondContact O-CE 3.28Å; D40-K62 PolarHBondContact O-NZ 3.43Å
41D98.3Very high95.4Very high59 Ų5957.2 Ų57.232%0.31633%0.329SS..G310 helixtrans-73-8.5173.9-60.3-37.3000112.7C38 L39 H61 K62C38-D41 PolarHBondContact N-OD2 2.65Å; C38-D41 WeakPolarHBondContact O-CB 3.3Å; C38-D41 PolarHBondContact O-N 2.88Å; C38-D41 PolarHBondContact SG-OD2 2.92Å; L39-D41 PolarHBondContact O-N 3.2Å; D41-H61 PolarHBondContact O-CD2 3.02Å; D41-K62 WeakPolarHBondContact O-CB 3.2Å; D41-K62 WeakPolarHBondContact O-CG 3.39Å; D41-K62 PolarHBondContact O-N 2.88Å
42F98.5Very high94.8Very high4 Ų456.3 Ų56.32%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-126.2136-171.2-57.4-86.6000113.2A37 C38 L39 D40 V59 K60 H61 Y68 M70 F107 F109 V118A37-F42 HydrophobicContact CB-CE2 3.87Å; A37-F42 HydrophobicContact CB-CZ 4.14Å; C38-F42 VanDerWaalsContact O-CD2 3.29Å; C38-F42 WeakPolarHBondContact O-CD2 3.43Å; C38-F42 WeakPolarHBondContact O-CE2 3.23Å; L39-F42 PolarHBondContact O-N 3.46Å; D40-F42 PolarHBondContact O-N 3.25Å; F42-V59 HydrophobicContact CB-CB 4.14Å; F42-V59 HydrophobicContact CB-CG2 4.38Å; F42-V59 HydrophobicContact CD1-CB 4.38Å; F42-V59 HydrophobicContact CD1-CG2 3.76Å; F42-V59 HydrophobicContact CE1-CG2 4.47Å; F42-V59 HydrophobicContact CG-CG2 4.3Å; F42-K60 CarbonylContact C-O 3.49Å; F42-K60 WeakPolarHBondContact CA-O 3.22Å; F42-H61 HydrophobicContact CD1-CB 3.97Å; F42-H61 HydrophobicContact CE1-CB 3.82Å; F42-H61 AromaticContact CE1-CD2 3.61Å; F42-H61 AromaticContact CZ-CD2 3.86Å; F42-Y68 HydrophobicContact CE1-CD2 4.22Å; F42-M70 HydrophobicContact CB-CE 3.92Å; F42-M70 HydrophobicContact CD1-CE 4.2Å; F42-M70 HydrophobicContact CD2-CE 3.48Å; F42-M70 VanDerWaalsContact CD2-CE 3.48Å; F42-M70 HydrophobicContact CE2-CE 4.02Å; F42-M70 HydrophobicContact CG-CE 3.59Å; F42-F107 HydrophobicContact CE1-CD2 4.2Å; F42-F107 HydrophobicContact CE1-CE2 4.32Å; F42-F107 AromaticContact CZ-CD2 3.75Å; F42-F107 HydrophobicContact CZ-CD2 3.75Å; F42-F107 HydrophobicContact CZ-CE2 4.13Å; F42-F107 HydrophobicContact CZ-CG 4.26Å; F42-F109 HydrophobicContact CD2-CE1 4.46Å; F42-F109 HydrophobicContact CD2-CZ 4.42Å; F42-F109 AromaticContact CE2-CE1 3.86Å; F42-F109 HydrophobicContact CE2-CE1 3.86Å; F42-F109 HydrophobicContact CE2-CZ 4.26Å; F42-V118 HydrophobicContact CE1-CG1 3.92Å; F42-V118 HydrophobicContact CE2-CG2 4.31Å; F42-V118 HydrophobicContact CZ-CG1 4.13Å; F42-V118 HydrophobicContact CZ-CG2 4.05Å
43D98.1Very high94.5Very high78 Ų7855.8 Ų55.842%0.41732%0.324SS..EExtended strand (participates in β ladder)trans-85.9123.7163.4-63.7-42.9000109.1V59 K60 K62D43-V59 CarbonylContact O-C 3.57Å; D43-V59 WeakPolarHBondContact O-CA 3.46Å; D43-V59 WeakPolarHBondContact O-CB 3.48Å; D43-K60 HydrophobicContact CB-CB 4.47Å; D43-K60 PolarHBondContact N-O 3.45Å; D43-K60 PolarHBondContact O-N 2.82Å; D43-K62 WeakPolarHBondContact OD1-CE 3.34Å; D43-K62 IonicContact OD1-NZ 3.94Å
44R96.5Very high94.3Very high120 Ų12054.3 Ų54.345%0.45331%0.314SS..EExtended strand (participates in β ladder)trans-86.3127.4177.5-62.2179.4-63.4-83.3-0.4109.8M57 V59R44-M57 HydrophobicContact CB-CE 4.06Å; R44-V59 HydrophobicContact CG-CG1 4.21Å
45I96.4Very high94.4Very high83 Ų8351.6 Ų51.643%0.42630%0.3SS..EExtended strand (participates in β ladder)trans-109.8-62-169.2-60.7168.5000112L58 K60 Y67I45-L58 HydrophobicContact CB-CB 4.41Å; I45-L58 HydrophobicContact CB-CD2 4.31Å; I45-L58 HydrophobicContact CB-CG 4.23Å; I45-L58 WeakPolarHBondContact CB-O 3.47Å; I45-L58 HydrophobicContact CD1-CD2 4.34Å; I45-L58 HydrophobicContact CD1-CG 4.17Å; I45-L58 HydrophobicContact CG2-CD2 4.09Å; I45-L58 PolarHBondContact N-O 2.68Å; I45-K60 HydrophobicContact CD1-CB 3.88Å; I45-Y67 HydrophobicContact CD1-CD1 3.79Å; I45-Y67 HydrophobicContact CD1-CE1 3.49Å; I45-Y67 VanDerWaalsContact CD1-CE1 3.49Å
46K95.9Very high94.4Very high35 Ų3549.5 Ų49.515%0.15229%0.29CS..EExtended strand (participates in β ladder)trans-151.9144.2-173.7172.7179.3170.1-173.90110.4L48 M57 L58 A323 F326 D327 D328 E331K46-L48 PolarHBondContact O-N 2.8Å; K46-M57 CarbonylContact O-C 3.57Å; K46-M57 VanDerWaalsContact O-CA 3.31Å; K46-M57 WeakPolarHBondContact O-CA 3.27Å; K46-L58 PolarHBondContact O-N 3.49Å; K46-A323 HydrophobicContact CD-CB 4.38Å; K46-F326 PolarHBondContact NZ-O 3.49Å; K46-D327 WeakPolarHBondContact CE-O 3.37Å; K46-D327 PolarHBondContact NZ-O 3.34Å; K46-D328 VanDerWaalsContact CE-OD1 3.31Å; K46-D328 WeakPolarHBondContact CE-OD1 3.14Å; K46-D328 IonicContact NZ-OD1 3.87Å; K46-D328 PolarHBondContact NZ-OD1 3.03Å; K46-E331 WeakPolarHBondContact CA-OE1 3.26Å
47T96.3Very high94.4Very high0 Ų047.2 Ų47.20%028%0.275CS..EExtended strand (participates in β ladder)trans-71.6121.1167.5-63.90000110.1T50 R55 V56 Y329 E331T47-T50 HydrophobicContact CG2-CG2 3.97Å; T47-R55 HydrophobicContact CG2-CB 4.37Å; T47-R55 PolarHBondContact OG1-NH1 3.11Å; T47-V56 CarbonylContact C-O 3.47Å; T47-Y329 HydrophobicContact CG2-CD2 4.35Å; T47-Y329 HydrophobicContact CG2-CG 4.13Å; T47-E331 PolarHBondContact N-OE1 3.08Å; T47-E331 PolarHBondContact N-OE2 3.17Å; T47-E331 PolarHBondContact OG1-OE2 2.92Å
48L94Very high94.4Very high10 Ų1046.4 Ų46.45%0.05227%0.269CS..EExtended strand (participates in β ladder)trans-88.7-23178.3-64.8175000112.7K46 V56 L58 A69 F121 A323 F326 Y329K46-L48 PolarHBondContact O-N 2.8Å; L48-V56 HydrophobicContact CB-CG1 4.35Å; L48-V56 HydrophobicContact CD1-CG1 4.33Å; L48-V56 PolarHBondContact N-O 2.83Å; L48-L58 HydrophobicContact CD1-CB 4.04Å; L48-L58 HydrophobicContact CD2-CB 4.03Å; L48-L58 HydrophobicContact CG-CB 3.97Å; L48-A69 HydrophobicContact CD1-CB 4.07Å; L48-F121 HydrophobicContact CD1-CD2 3.79Å; L48-F121 HydrophobicContact CD1-CE2 3.69Å; L48-F121 HydrophobicContact CD2-CE2 3.97Å; L48-A323 HydrophobicContact CD2-CB 3.71Å; L48-F326 HydrophobicContact CB-CD1 4.12Å; L48-F326 HydrophobicContact CB-CE1 4.46Å; L48-F326 HydrophobicContact CD2-CB 4.15Å; L48-F326 HydrophobicContact CD2-CD1 4.18Å; L48-F326 HydrophobicContact CD2-CD2 3.9Å; L48-F326 HydrophobicContact CD2-CE2 4.34Å; L48-F326 HydrophobicContact CD2-CG 3.81Å; L48-Y329 WeakPolarHBondContact O-CE2 3.44Å
49G92.3Very high94.4Very high14 Ų1443.7 Ų43.714%0.14425%0.25CS..EExtended strand (participates in β ladder)trans-178157.2-17800000112.1R55 V56G49-R55 WeakPolarHBondContact O-CA 3.36Å; G49-V56 PolarHBondContact N-O 2.81Å; G49-V56 PolarHBondContact O-N 2.85Å
50T91.5Very high94.5Very high83 Ų8346.4 Ų46.451%0.50926%0.261SS..EExtended strand (participates in β ladder)trans-124.4138.5179.556.90000110.8T47 R55 Y329T47-T50 HydrophobicContact CG2-CG2 3.97Å; T50-R55 HydrophobicContact CG2-CB 4.45Å; T50-Y329 HydrophobicContact CG2-CD1 3.87Å; T50-Y329 HydrophobicContact CG2-CE1 4.41Å; T50-Y329 HydrophobicContact CG2-CG 4.4Å
51G85Confident94.5Very high53 Ų5341.5 Ų41.555%0.54623%0.234SC..  trans-122.1179.6175.300000112.1F53 G54G51-F53 VanDerWaalsContact C-N 3.28Å; G51-F53 PolarHBondContact O-N 3.21Å; G51-G54 PolarHBondContact N-O 3.42Å; G51-G54 VanDerWaalsContact O-O 3.11Å
52S82.3Confident94.5Very high90 Ų9044 Ų4463%0.62924%0.242SC*.SBendtrans-66.2-24.8-17550.10000114.7
53F88.2Confident94.5Very high39 Ų3952.2 Ų52.217%0.17128%0.281CS..SBendtrans-123.45.2-178.742-87000113.8G51 L73 D74 K77 V78 L81G51-F53 VanDerWaalsContact C-N 3.28Å; G51-F53 PolarHBondContact O-N 3.21Å; F53-L73 HydrophobicContact CD2-CB 4.38Å; F53-L73 HydrophobicContact CD2-CD1 4.18Å; F53-L73 HydrophobicContact CD2-CD2 3.47Å; F53-L73 VanDerWaalsContact CD2-CD2 3.47Å; F53-L73 HydrophobicContact CD2-CG 4.2Å; F53-L73 HydrophobicContact CE2-CD1 4.05Å; F53-L73 HydrophobicContact CE2-CD2 3.61Å; F53-L73 HydrophobicContact CE2-CG 4.39Å; F53-D74 PolarHBondContact O-N 3.17Å; F53-K77 HydrophobicContact CB-CB 4.18Å; F53-V78 HydrophobicContact CB-CG2 4.05Å; F53-V78 HydrophobicContact CD2-CG2 3.96Å; F53-V78 HydrophobicContact CG-CG2 4.25Å; F53-L81 HydrophobicContact CB-CD1 4.29Å; F53-L81 HydrophobicContact CD1-CD1 4.41Å
54G90.2Very high94.5Very high22 Ų2251.2 Ų51.223%0.22728%0.28CS..EExtended strand (participates in β ladder)trans-176.6-170.9-172.100000114.8G51 I72G51-G54 PolarHBondContact N-O 3.42Å; G51-G54 VanDerWaalsContact O-O 3.11Å; G54-I72 CarbonylContact C-O 3.56Å; G54-I72 WeakPolarHBondContact CA-O 3.41Å
55R95.1Very high94.5Very high31 Ų3146.9 Ų46.912%0.11727%0.272CS..EExtended strand (participates in β ladder)trans-138.6157.1176.963.3176.865.5-136.4-9.1110.4T47 G49 T50 M57 I72 E332T47-R55 HydrophobicContact CG2-CB 4.37Å; T47-R55 PolarHBondContact OG1-NH1 3.11Å; G49-R55 WeakPolarHBondContact O-CA 3.36Å; T50-R55 HydrophobicContact CG2-CB 4.45Å; R55-M57 HydrophobicContact CG-CG 4.17Å; R55-I72 HydrophobicContact CG-CB 4.3Å; R55-I72 HydrophobicContact CG-CD1 4.36Å; R55-I72 PolarHBondContact N-O 3.23Å; R55-I72 PolarHBondContact O-N 3.04Å; R55-E332 IonicContact CZ-OE2 3.3Å; R55-E332 IonicContact NH2-OE1 3.64Å; R55-E332 IonicContact NH2-OE2 2.68Å; R55-E332 PolarHBondContact NH2-OE2 3.29Å
56V96Very high94.6Very high43 Ų4346.9 Ų46.926%0.26127%0.273SS..EExtended strand (participates in β ladder)trans-109.3126.6170.1-176.10000107.5T47 L48 G49 A69 M70 K71T47-V56 CarbonylContact C-O 3.47Å; L48-V56 HydrophobicContact CB-CG1 4.35Å; L48-V56 HydrophobicContact CD1-CG1 4.33Å; L48-V56 PolarHBondContact N-O 2.83Å; G49-V56 PolarHBondContact N-O 2.81Å; G49-V56 PolarHBondContact O-N 2.85Å; V56-A69 HydrophobicContact CG1-CB 3.94Å; V56-M70 CarbonylContact C-O 3.52Å; V56-M70 WeakPolarHBondContact CA-O 3.33Å; V56-K71 HydrophobicContact CG2-CB 4.21Å; V56-K71 HydrophobicContact CG2-CG 4.14Å
57M97.3Very high94.7Very high13 Ų1348.5 Ų48.56%0.06428%0.279CS..EExtended strand (participates in β ladder)trans-117.1139.7178.6-61.5-171.378.500111.1R44 K46 R55 V59 A69 M70 I72R44-M57 HydrophobicContact CB-CE 4.06Å; K46-M57 CarbonylContact O-C 3.57Å; K46-M57 VanDerWaalsContact O-CA 3.31Å; K46-M57 WeakPolarHBondContact O-CA 3.27Å; R55-M57 HydrophobicContact CG-CG 4.17Å; M57-V59 HydrophobicContact CB-CG1 4.28Å; M57-V59 PolarHBondContact O-N 2.85Å; M57-A69 CarbonylContact O-C 3.56Å; M57-A69 WeakPolarHBondContact O-CA 3.36Å; M57-M70 PolarHBondContact N-O 2.94Å; M57-M70 PolarHBondContact O-N 3.3Å; M57-I72 HydrophobicContact CG-CD1 3.96Å; M57-I72 HydrophobicContact SD-CD1 3.64Å
58L97.9Very high94.8Very high3 Ų349.7 Ų49.72%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-66.6126160.2-18063.5000108.2I45 K46 L48 Y67 Y68 F121 G321 A323I45-L58 HydrophobicContact CB-CB 4.41Å; I45-L58 HydrophobicContact CB-CD2 4.31Å; I45-L58 HydrophobicContact CB-CG 4.23Å; I45-L58 WeakPolarHBondContact CB-O 3.47Å; I45-L58 HydrophobicContact CD1-CD2 4.34Å; I45-L58 HydrophobicContact CD1-CG 4.17Å; I45-L58 HydrophobicContact CG2-CD2 4.09Å; I45-L58 PolarHBondContact N-O 2.68Å; K46-L58 PolarHBondContact O-N 3.49Å; L48-L58 HydrophobicContact CD1-CB 4.04Å; L48-L58 HydrophobicContact CD2-CB 4.03Å; L48-L58 HydrophobicContact CG-CB 3.97Å; L58-Y67 HydrophobicContact CD1-CD1 4.02Å; L58-Y67 HydrophobicContact CD1-CG 4.49Å; L58-Y67 HydrophobicContact CD2-CD1 4.48Å; L58-Y67 HydrophobicContact CG-CD1 4.34Å; L58-Y68 WeakPolarHBondContact CA-O 3.23Å; L58-F121 HydrophobicContact CD1-CB 4.34Å; L58-F121 HydrophobicContact CD1-CD1 3.74Å; L58-F121 HydrophobicContact CD1-CD2 3.83Å; L58-F121 HydrophobicContact CD1-CE1 3.93Å; L58-F121 HydrophobicContact CD1-CE2 4.02Å; L58-F121 HydrophobicContact CD1-CG 3.69Å; L58-F121 HydrophobicContact CD1-CZ 4.07Å; L58-G321 WeakPolarHBondContact CD2-O 3.47Å; L58-A323 HydrophobicContact CD2-CB 4.17Å
59V98.4Very high95Very high0 Ų049.8 Ų49.80%029%0.286CS..EExtended strand (participates in β ladder)trans-130.2155.8176.5-56.70000110.5F42 D43 R44 M57 Y67 Y68 M70F42-V59 HydrophobicContact CB-CB 4.14Å; F42-V59 HydrophobicContact CB-CG2 4.38Å; F42-V59 HydrophobicContact CD1-CB 4.38Å; F42-V59 HydrophobicContact CD1-CG2 3.76Å; F42-V59 HydrophobicContact CE1-CG2 4.47Å; F42-V59 HydrophobicContact CG-CG2 4.3Å; D43-V59 CarbonylContact O-C 3.57Å; D43-V59 WeakPolarHBondContact O-CA 3.46Å; D43-V59 WeakPolarHBondContact O-CB 3.48Å; R44-V59 HydrophobicContact CG-CG1 4.21Å; M57-V59 HydrophobicContact CB-CG1 4.28Å; M57-V59 PolarHBondContact O-N 2.85Å; V59-Y67 CarbonylContact O-C 3.5Å; V59-Y67 VanDerWaalsContact O-CA 3.3Å; V59-Y67 WeakPolarHBondContact O-CA 3.32Å; V59-Y68 PolarHBondContact N-O 3.46Å; V59-Y68 PolarHBondContact O-N 2.88Å; V59-M70 HydrophobicContact CG1-CB 3.68Å; V59-M70 HydrophobicContact CG1-CE 4.14Å; V59-M70 HydrophobicContact CG1-SD 4.12Å; V59-M70 HydrophobicContact CG2-CB 3.95Å; V59-M70 HydrophobicContact CG2-CE 4.2Å
60K98.6Very high95.3Very high74 Ų7449.1 Ų49.132%0.32228%0.279SS..EExtended strand (participates in β ladder)trans-115.7124.6170.9-175.6-179.3-178.3-175.70109.2F42 D43 I45 K62 G65 N66 Y67F42-K60 CarbonylContact C-O 3.49Å; F42-K60 WeakPolarHBondContact CA-O 3.22Å; D43-K60 HydrophobicContact CB-CB 4.47Å; D43-K60 PolarHBondContact N-O 3.45Å; D43-K60 PolarHBondContact O-N 2.82Å; I45-K60 HydrophobicContact CD1-CB 3.88Å; K60-K62 PolarHBondContact O-N 2.55Å; K60-G65 WeakPolarHBondContact CE-O 3.35Å; K60-N66 WeakPolarHBondContact CA-O 3.31Å; K60-Y67 HydrophobicContact CB-CD1 4.17Å; K60-Y67 HydrophobicContact CB-CE1 4.1Å; K60-Y67 HydrophobicContact CD-CE1 4.19Å; K60-Y67 HydrophobicContact CG-CE1 4.3Å
61H98.6Very high95.5Very high18 Ų1846.5 Ų46.58%0.08326%0.261CS..EExtended strand (participates in β ladder)trans-71.8121.4174.5-177.3-122.5000109.4D41 F42 Q63 S64 G65 N66 Y68D41-H61 PolarHBondContact O-CD2 3.02Å; F42-H61 HydrophobicContact CD1-CB 3.97Å; F42-H61 HydrophobicContact CE1-CB 3.82Å; F42-H61 AromaticContact CE1-CD2 3.61Å; F42-H61 AromaticContact CZ-CD2 3.86Å; H61-Q63 VanDerWaalsContact C-N 3.34Å; H61-Q63 PolarHBondContact O-N 2.89Å; H61-S64 PolarHBondContact ND1-N 3.29Å; H61-S64 PolarHBondContact ND1-OG 3.08Å; H61-G65 VanDerWaalsContact O-CA 3.29Å; H61-G65 WeakPolarHBondContact O-CA 3.48Å; H61-G65 PolarHBondContact O-N 3.25Å; H61-N66 PolarHBondContact N-O 3.1Å; H61-Y68 HydrophobicContact CB-CD2 4.04Å; H61-Y68 HydrophobicContact CB-CE2 3.68Å
62K98.4Very high96.1Very high111 Ų11144.2 Ų44.248%0.48324%0.236SC..THydrogen-bonded Turntrans-60.8-41.8-170.1-71.7175.9179.6170.80112.5D40 D41 D43 K60D40-K62 WeakPolarHBondContact O-CD 3.42Å; D40-K62 VanDerWaalsContact O-CE 3.29Å; D40-K62 WeakPolarHBondContact O-CE 3.28Å; D40-K62 PolarHBondContact O-NZ 3.43Å; D41-K62 WeakPolarHBondContact O-CB 3.2Å; D41-K62 WeakPolarHBondContact O-CG 3.39Å; D41-K62 PolarHBondContact O-N 2.88Å; D43-K62 WeakPolarHBondContact OD1-CE 3.34Å; D43-K62 IonicContact OD1-NZ 3.94Å; K60-K62 PolarHBondContact O-N 2.55Å
63Q97.3Very high96.9Very high177 Ų17740 Ų4083%0.82721%0.206SC*.THydrogen-bonded Turntrans-73.6-45.5-175.1-170.4-176.923.300112.8H61H61-Q63 VanDerWaalsContact C-N 3.34Å; H61-Q63 PolarHBondContact O-N 2.89Å
64S97.4Very high97.3Very high57 Ų5740.2 Ų40.240%0.39921%0.209SC..THydrogen-bonded Turntrans-92.8-17.9-175.764.70000113.8H61 N66H61-S64 PolarHBondContact ND1-N 3.29Å; H61-S64 PolarHBondContact ND1-OG 3.08Å; S64-N66 PolarHBondContact O-N 2.91Å; S64-N66 PolarHBondContact OG-N 3.11Å
65G97.4Very high97.7Very high28 Ų2839.2 Ų39.229%0.28920%0.199SC..  trans732.2-173.200000114.8K60 H61K60-G65 WeakPolarHBondContact CE-O 3.35Å; H61-G65 VanDerWaalsContact O-CA 3.29Å; H61-G65 WeakPolarHBondContact O-CA 3.48Å; H61-G65 PolarHBondContact O-N 3.25Å
66N97.8Very high97.8Very high84 Ų8442.9 Ų42.945%0.44922%0.217SC..  trans-74.3147.6-179.9-68.3-20000111.8K60 H61 S64 Y68K60-N66 WeakPolarHBondContact CA-O 3.31Å; H61-N66 PolarHBondContact N-O 3.1Å; S64-N66 PolarHBondContact O-N 2.91Å; S64-N66 PolarHBondContact OG-N 3.11Å; N66-Y68 HydrophobicContact CB-CD2 4.48Å; N66-Y68 HydrophobicContact CB-CE2 3.64Å
67Y98.2Very high97.8Very high69 Ų6945.6 Ų45.627%0.27123%0.225SC..EExtended strand (participates in β ladder)trans-94.5142.2176.1-65.6-93.2000111.3I45 L58 V59 K60 P320I45-Y67 HydrophobicContact CD1-CD1 3.79Å; I45-Y67 HydrophobicContact CD1-CE1 3.49Å; I45-Y67 VanDerWaalsContact CD1-CE1 3.49Å; L58-Y67 HydrophobicContact CD1-CD1 4.02Å; L58-Y67 HydrophobicContact CD1-CG 4.49Å; L58-Y67 HydrophobicContact CD2-CD1 4.48Å; L58-Y67 HydrophobicContact CG-CD1 4.34Å; V59-Y67 CarbonylContact O-C 3.5Å; V59-Y67 VanDerWaalsContact O-CA 3.3Å; V59-Y67 WeakPolarHBondContact O-CA 3.32Å; K60-Y67 HydrophobicContact CB-CD1 4.17Å; K60-Y67 HydrophobicContact CB-CE1 4.1Å; K60-Y67 HydrophobicContact CD-CE1 4.19Å; K60-Y67 HydrophobicContact CG-CE1 4.3Å; Y67-P320 HydrophobicContact CD2-CB 3.8Å; Y67-P320 HydrophobicContact CE2-CB 4Å
68Y98.5Very high97.8Very high25 Ų2545 Ų4510%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-138.5158.5-179.7-63.4-82.4000111.1F42 L58 V59 H61 N66 T106 F107 V118 L119F42-Y68 HydrophobicContact CE1-CD2 4.22Å; L58-Y68 WeakPolarHBondContact CA-O 3.23Å; V59-Y68 PolarHBondContact N-O 3.46Å; V59-Y68 PolarHBondContact O-N 2.88Å; H61-Y68 HydrophobicContact CB-CD2 4.04Å; H61-Y68 HydrophobicContact CB-CE2 3.68Å; N66-Y68 HydrophobicContact CB-CD2 4.48Å; N66-Y68 HydrophobicContact CB-CE2 3.64Å; Y68-T106 HydrophobicContact CE1-CG2 4.07Å; Y68-T106 WeakPolarHBondContact CE1-OG1 3.39Å; Y68-F107 HydrophobicContact CE1-CE2 4.42Å; Y68-F107 HydrophobicContact CE2-CE2 4.15Å; Y68-F107 AromaticContact CZ-CE2 3.97Å; Y68-V118 VanDerWaalsContact CB-CG1 3.41Å; Y68-V118 HydrophobicContact CD1-CG1 4.01Å; Y68-V118 HydrophobicContact CD2-CG1 4.24Å; Y68-V118 HydrophobicContact CG-CG1 3.64Å; Y68-L119 CarbonylContact C-O 3.59Å; Y68-L119 WeakPolarHBondContact CA-O 3.22Å; Y68-L119 VanDerWaalsContact CB-O 3.31Å; Y68-L119 WeakPolarHBondContact CB-O 3.43Å; Y68-L119 WeakPolarHBondContact CD1-O 3.43Å
69A98.1Very high97.8Very high12 Ų1247 Ų4710%0.09924%0.235CC..EExtended strand (participates in β ladder)trans-97.4109.4166.200000108.7L48 V56 M57 L119L48-A69 HydrophobicContact CD1-CB 4.07Å; V56-A69 HydrophobicContact CG1-CB 3.94Å; M57-A69 CarbonylContact O-C 3.56Å; M57-A69 WeakPolarHBondContact O-CA 3.36Å; A69-L119 PolarHBondContact N-O 3.28Å; A69-L119 WeakPolarHBondContact O-CD1 3.35Å; A69-L119 PolarHBondContact O-N 3.15Å
70M98.3Very high97.7Very high0 Ų055.5 Ų55.50%027%0.271CS..EExtended strand (participates in β ladder)trans-93.8108.4177.8-177.4-177.1-75.200109.9L39 F42 V56 M57 V59 I72 F109 Y116 M117 V118L39-M70 HydrophobicContact CD1-CE 4.2Å; L39-M70 HydrophobicContact CD1-SD 3.85Å; F42-M70 HydrophobicContact CB-CE 3.92Å; F42-M70 HydrophobicContact CD1-CE 4.2Å; F42-M70 HydrophobicContact CD2-CE 3.48Å; F42-M70 VanDerWaalsContact CD2-CE 3.48Å; F42-M70 HydrophobicContact CE2-CE 4.02Å; F42-M70 HydrophobicContact CG-CE 3.59Å; V56-M70 CarbonylContact C-O 3.52Å; V56-M70 WeakPolarHBondContact CA-O 3.33Å; M57-M70 PolarHBondContact N-O 2.94Å; M57-M70 PolarHBondContact O-N 3.3Å; V59-M70 HydrophobicContact CG1-CB 3.68Å; V59-M70 HydrophobicContact CG1-CE 4.14Å; V59-M70 HydrophobicContact CG1-SD 4.12Å; V59-M70 HydrophobicContact CG2-CB 3.95Å; V59-M70 HydrophobicContact CG2-CE 4.2Å; M70-I72 HydrophobicContact CG-CD1 4.46Å; M70-I72 HydrophobicContact CG-CG1 3.87Å; M70-I72 HydrophobicContact SD-CD1 4.21Å; M70-I72 HydrophobicContact SD-CG1 4.11Å; M70-F109 HydrophobicContact CE-CE1 4.34Å; M70-F109 HydrophobicContact CE-CZ 3.93Å; M70-Y116 HydrophobicContact CG-CD1 4.18Å; M70-Y116 HydrophobicContact SD-CD1 3.72Å; M70-Y116 HydrophobicContact SD-CE1 4.28Å; M70-M117 CarbonylContact C-O 3.57Å; M70-M117 WeakPolarHBondContact CA-O 3.5Å; M70-V118 HydrophobicContact CE-CG2 3.84Å; M70-V118 HydrophobicContact CG-CG2 4.21Å
71K97.2Very high97.5Very high28 Ų2855.7 Ų55.712%0.12228%0.276CS..EExtended strand (participates in β ladder)trans-79.9117.7169.7-171.9172-174.6-172.80108.4V56 L73 E90 Y116 M117 L119 D183V56-K71 HydrophobicContact CG2-CB 4.21Å; V56-K71 HydrophobicContact CG2-CG 4.14Å; K71-L73 HydrophobicContact CD-CD2 4.42Å; K71-L73 HydrophobicContact CG-CD2 3.85Å; K71-L73 HydrophobicContact CG-CG 4.34Å; K71-E90 IonicContact NZ-OE1 3.67Å; K71-E90 PolarHBondContact NZ-OE1 3.39Å; K71-E90 IonicContact NZ-OE2 3.42Å; K71-E90 PolarHBondContact NZ-OE2 3.17Å; K71-Y116 WeakPolarHBondContact O-CA 3.44Å; K71-M117 HydrophobicContact CB-CB 4.35Å; K71-M117 HydrophobicContact CD-CE 3.82Å; K71-M117 HydrophobicContact CG-CE 4.27Å; K71-M117 PolarHBondContact N-O 3.36Å; K71-M117 PolarHBondContact O-N 2.87Å; K71-L119 HydrophobicContact CB-CD1 3.93Å; K71-D183 IonicContact NZ-OD1 3.8Å
72I97.8Very high97.3Very high4 Ų463.7 Ų63.72%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-112.4118.7-176.8-51173.9000108.2G54 R55 M57 M70 N114 L115 Y116 L334G54-I72 CarbonylContact C-O 3.56Å; G54-I72 WeakPolarHBondContact CA-O 3.41Å; R55-I72 HydrophobicContact CG-CB 4.3Å; R55-I72 HydrophobicContact CG-CD1 4.36Å; R55-I72 PolarHBondContact N-O 3.23Å; R55-I72 PolarHBondContact O-N 3.04Å; M57-I72 HydrophobicContact CG-CD1 3.96Å; M57-I72 HydrophobicContact SD-CD1 3.64Å; M70-I72 HydrophobicContact CG-CD1 4.46Å; M70-I72 HydrophobicContact CG-CG1 3.87Å; M70-I72 HydrophobicContact SD-CD1 4.21Å; M70-I72 HydrophobicContact SD-CG1 4.11Å; I72-N114 HydrophobicContact CG2-CB 4.02Å; I72-L115 WeakPolarHBondContact CA-O 3.42Å; I72-Y116 HydrophobicContact CB-CD1 4.42Å; I72-Y116 HydrophobicContact CB-CE1 4.39Å; I72-Y116 HydrophobicContact CD1-CE1 4.39Å; I72-Y116 HydrophobicContact CG1-CD1 3.95Å; I72-Y116 HydrophobicContact CG1-CE1 4.04Å; I72-Y116 HydrophobicContact CG2-CD1 4.12Å; I72-Y116 HydrophobicContact CG2-CE1 3.69Å; I72-L334 HydrophobicContact CD1-CD2 4.19Å; I72-L334 HydrophobicContact CG2-CD1 3.78Å
73L97.2Very high97.2Very high3 Ų360.6 Ų60.62%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-118.9127.4-177.2-50.4179.8000111F53 K71 K75 V78 T87 N114 L115 M117F53-L73 HydrophobicContact CD2-CB 4.38Å; F53-L73 HydrophobicContact CD2-CD1 4.18Å; F53-L73 HydrophobicContact CD2-CD2 3.47Å; F53-L73 VanDerWaalsContact CD2-CD2 3.47Å; F53-L73 HydrophobicContact CD2-CG 4.2Å; F53-L73 HydrophobicContact CE2-CD1 4.05Å; F53-L73 HydrophobicContact CE2-CD2 3.61Å; F53-L73 HydrophobicContact CE2-CG 4.39Å; K71-L73 HydrophobicContact CD-CD2 4.42Å; K71-L73 HydrophobicContact CG-CD2 3.85Å; K71-L73 HydrophobicContact CG-CG 4.34Å; L73-K75 PolarHBondContact O-N 3.23Å; L73-V78 HydrophobicContact CB-CG2 4.1Å; L73-T87 HydrophobicContact CD1-CG2 3.6Å; L73-N114 CarbonylContact O-C 3.51Å; L73-N114 WeakPolarHBondContact O-CA 3.22Å; L73-L115 HydrophobicContact CB-CB 4.26Å; L73-L115 PolarHBondContact N-O 3.42Å; L73-L115 PolarHBondContact O-N 2.88Å; L73-M117 HydrophobicContact CD1-CE 3.63Å; L73-M117 HydrophobicContact CG-CE 4.43Å
74D97.4Very high97.1Very high43 Ų4353.7 Ų53.723%0.2327%0.267CS..EExtended strand (participates in β ladder)trans-75.1117.8176.4175-41.9000109.8F53 Q76 K77 V78F53-D74 PolarHBondContact O-N 3.17Å; D74-Q76 VanDerWaalsContact C-N 3.29Å; D74-Q76 PolarHBondContact O-N 3.24Å; D74-Q76 WeakPolarHBondContact OD1-CA 3.25Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.48Å; D74-Q76 PolarHBondContact OD1-N 2.97Å; D74-K77 HydrophobicContact CB-CB 3.98Å; D74-K77 HydrophobicContact CB-CD 3.9Å; D74-K77 HydrophobicContact CB-CG 3.92Å; D74-K77 PolarHBondContact O-N 3.08Å; D74-K77 PolarHBondContact OD1-N 3.44Å; D74-V78 WeakPolarHBondContact O-CG2 3.49Å; D74-V78 PolarHBondContact O-N 3.44Å
75K98Very high97Very high1 Ų157.3 Ų57.30%0.00428%0.278CS..Hα-helixtrans-56.1-42.4-176.8-73-179.6177.5175.80112.4L73 V78 V79 D111 S113 L115 E340 K341 C342 F346L73-K75 PolarHBondContact O-N 3.23Å; K75-V78 PolarHBondContact O-N 3.34Å; K75-V79 WeakPolarHBondContact O-CG2 3.41Å; K75-V79 PolarHBondContact O-N 2.88Å; K75-D111 VanDerWaalsContact CE-O 3.29Å; K75-D111 WeakPolarHBondContact CE-O 3.36Å; K75-D111 PolarHBondContact NZ-O 2.86Å; K75-S113 VanDerWaalsContact CB-O 3.32Å; K75-S113 WeakPolarHBondContact CB-O 3.49Å; K75-S113 WeakPolarHBondContact CG-O 3.37Å; K75-S113 PolarHBondContact N-O 3.15Å; K75-L115 HydrophobicContact CD-CD2 4.2Å; K75-L115 VanDerWaalsContact CE-CD2 3.4Å; K75-L115 HydrophobicContact CG-CD1 4.47Å; K75-L115 HydrophobicContact CG-CD2 3.87Å; K75-L115 HydrophobicContact CG-CG 3.82Å; K75-E340 IonicContact NZ-OE1 2.61Å; K75-E340 PolarHBondContact NZ-OE1 3.03Å; K75-E340 IonicContact NZ-OE2 3.91Å; K75-K341 WeakPolarHBondContact CD-O 2.96Å; K75-C342 HydrophobicContact CB-CB 4.06Å; K75-F346 HydrophobicContact CB-CD2 3.95Å; K75-F346 HydrophobicContact CB-CE2 3.65Å; K75-F346 HydrophobicContact CD-CD2 3.95Å; K75-F346 HydrophobicContact CG-CD2 3.7Å; K75-F346 HydrophobicContact CG-CE2 3.84Å
76Q97.2Very high96.8Very high108 Ų10857.9 Ų57.951%0.50527%0.273SS..Hα-helixtrans-69.7-39.1-178.4-59.7-170.2-93.400111.1D74 V79 K80 K341D74-Q76 VanDerWaalsContact C-N 3.29Å; D74-Q76 PolarHBondContact O-N 3.24Å; D74-Q76 WeakPolarHBondContact OD1-CA 3.25Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.48Å; D74-Q76 PolarHBondContact OD1-N 2.97Å; Q76-V79 PolarHBondContact O-N 3.42Å; Q76-K80 VanDerWaalsContact O-CB 3.28Å; Q76-K80 WeakPolarHBondContact O-CB 3.47Å; Q76-K80 PolarHBondContact O-N 2.96Å; Q76-K341 HydrophobicContact CG-CB 4.08Å; Q76-K341 HydrophobicContact CG-CG 4.33Å
77K96.8Very high96.7Very high99 Ų9954 Ų5443%0.4325%0.252SS..Hα-helixtrans-64.4-43.2174.2-68.4-176.4-170.6176.70111.6F53 D74 V79 K80 L81F53-K77 HydrophobicContact CB-CB 4.18Å; D74-K77 HydrophobicContact CB-CB 3.98Å; D74-K77 HydrophobicContact CB-CD 3.9Å; D74-K77 HydrophobicContact CB-CG 3.92Å; D74-K77 PolarHBondContact O-N 3.08Å; D74-K77 PolarHBondContact OD1-N 3.44Å; K77-V79 VanDerWaalsContact C-N 3.35Å; K77-V79 PolarHBondContact O-N 2.93Å; K77-K80 PolarHBondContact O-N 3.34Å; K77-L81 WeakPolarHBondContact O-CB 3.47Å; K77-L81 WeakPolarHBondContact O-CG 3.4Å; K77-L81 PolarHBondContact O-N 3.48Å
78V97.3Very high96.6Very high0 Ų052.5 Ų52.50%025%0.249CC..Hα-helixtrans-59.6-45.1177173.80000110.9F53 L73 D74 K75 K82 Q83 V84 T87 F346F53-V78 HydrophobicContact CB-CG2 4.05Å; F53-V78 HydrophobicContact CD2-CG2 3.96Å; F53-V78 HydrophobicContact CG-CG2 4.25Å; L73-V78 HydrophobicContact CB-CG2 4.1Å; D74-V78 WeakPolarHBondContact O-CG2 3.49Å; D74-V78 PolarHBondContact O-N 3.44Å; K75-V78 PolarHBondContact O-N 3.34Å; V78-K82 PolarHBondContact O-N 2.99Å; V78-Q83 HydrophobicContact CG1-CB 4Å; V78-Q83 PolarHBondContact O-N 3.15Å; V78-V84 HydrophobicContact CG1-CG2 4.38Å; V78-T87 WeakPolarHBondContact CG1-OG1 3.45Å; V78-F346 HydrophobicContact CB-CE1 4.5Å; V78-F346 HydrophobicContact CB-CZ 3.82Å; V78-F346 HydrophobicContact CG1-CE1 3.79Å; V78-F346 HydrophobicContact CG1-CZ 3.5Å; V78-F346 VanDerWaalsContact CG1-CZ 3.5Å
79V97.4Very high96.5Very high47 Ų4752.8 Ų52.829%0.28525%0.252SS..Hα-helixtrans-63.9-48.1175.51730000111.3K75 Q76 K77 L81 K82 V84 C342 E345 F346K75-V79 WeakPolarHBondContact O-CG2 3.41Å; K75-V79 PolarHBondContact O-N 2.88Å; Q76-V79 PolarHBondContact O-N 3.42Å; K77-V79 VanDerWaalsContact C-N 3.35Å; K77-V79 PolarHBondContact O-N 2.93Å; V79-L81 VanDerWaalsContact C-N 3.27Å; V79-L81 PolarHBondContact O-N 2.69Å; V79-K82 PolarHBondContact O-N 3.47Å; V79-V84 HydrophobicContact CB-CG2 4.43Å; V79-V84 HydrophobicContact CG2-CG2 3.78Å; V79-C342 HydrophobicContact CG2-CB 4.06Å; V79-E345 HydrophobicContact CG2-CB 4.17Å; V79-E345 HydrophobicContact CG2-CG 4.01Å; V79-F346 HydrophobicContact CG2-CE2 3.78Å; V79-F346 HydrophobicContact CG2-CZ 3.98Å
80K96.7Very high96.4Very high177 Ų17752.4 Ų52.477%0.7725%0.248SC*.Hα-helixtrans-57.8-39.2-179.8-176.8-179.7178-177.70112.4Q76 K77 K82Q76-K80 VanDerWaalsContact O-CB 3.28Å; Q76-K80 WeakPolarHBondContact O-CB 3.47Å; Q76-K80 PolarHBondContact O-N 2.96Å; K77-K80 PolarHBondContact O-N 3.34Å; K80-K82 VanDerWaalsContact C-N 3.29Å
81L94.8Very high96.4Very high78 Ų7852.6 Ų52.641%0.40825%0.249SC..THydrogen-bonded Turntrans-87.67.2179.2-63.6177.2000113.6F53 K77 V79 Q83F53-L81 HydrophobicContact CB-CD1 4.29Å; F53-L81 HydrophobicContact CD1-CD1 4.41Å; K77-L81 WeakPolarHBondContact O-CB 3.47Å; K77-L81 WeakPolarHBondContact O-CG 3.4Å; K77-L81 PolarHBondContact O-N 3.48Å; V79-L81 VanDerWaalsContact C-N 3.27Å; V79-L81 PolarHBondContact O-N 2.69Å; L81-Q83 VanDerWaalsContact C-N 3.26Å; L81-Q83 HydrophobicContact CB-CG 4.06Å; L81-Q83 WeakPolarHBondContact O-CG 2.86Å; L81-Q83 PolarHBondContact O-N 2.99Å; L81-Q83 PolarHBondContact O-NE2 2.81Å; L81-Q83 VanDerWaalsContact O-NE2 3.13Å
82K95Very high96.4Very high186 Ų18655.3 Ų55.381%0.80926%0.258SS*.THydrogen-bonded Turntrans56.236.9179.5-55.2-179.2179.6179.80113.2V78 V79 K80V78-K82 PolarHBondContact O-N 2.99Å; V79-K82 PolarHBondContact O-N 3.47Å; K80-K82 VanDerWaalsContact C-N 3.29Å
83Q94.9Very high96.4Very high47 Ų4755.1 Ų55.122%0.2226%0.257CS..  trans-101.914.2-178-62.7-55.1-50.600113.5V78 L81 H86 T87V78-Q83 HydrophobicContact CG1-CB 4Å; V78-Q83 PolarHBondContact O-N 3.15Å; L81-Q83 VanDerWaalsContact C-N 3.26Å; L81-Q83 HydrophobicContact CB-CG 4.06Å; L81-Q83 WeakPolarHBondContact O-CG 2.86Å; L81-Q83 PolarHBondContact O-N 2.99Å; L81-Q83 PolarHBondContact O-NE2 2.81Å; L81-Q83 VanDerWaalsContact O-NE2 3.13Å; Q83-H86 PolarHBondContact O-N 3.27Å; Q83-H86 PolarHBondContact OE1-ND1 3Å; Q83-T87 WeakPolarHBondContact O-CB 3.11Å; Q83-T87 PolarHBondContact O-N 3.01Å; Q83-T87 PolarHBondContact O-OG1 3.15Å
84V96.3Very high96.5Very high31 Ų3155.1 Ų55.119%0.18826%0.257CS..Hα-helixtrans-58.2-52.9-177.2179.30000111.5V78 V79 H86 T87 L88 E345 F346V78-V84 HydrophobicContact CG1-CG2 4.38Å; V79-V84 HydrophobicContact CB-CG2 4.43Å; V79-V84 HydrophobicContact CG2-CG2 3.78Å; V84-H86 PolarHBondContact O-N 3.49Å; V84-T87 PolarHBondContact O-N 2.89Å; V84-L88 HydrophobicContact CG1-CD1 4.03Å; V84-L88 WeakPolarHBondContact O-CG 3.48Å; V84-L88 PolarHBondContact O-N 3.28Å; V84-E345 HydrophobicContact CG1-CB 4.18Å; V84-E345 WeakPolarHBondContact CG1-O 3.16Å; V84-E345 HydrophobicContact CG2-CB 4.42Å; V84-F346 HydrophobicContact CB-CE1 4.37Å; V84-F346 HydrophobicContact CG1-CD1 4.44Å; V84-F346 HydrophobicContact CG1-CE1 3.98Å; V84-F346 HydrophobicContact CG1-CZ 4.48Å; V84-F346 HydrophobicContact CG2-CE1 4.24Å; V84-F346 HydrophobicContact CG2-CZ 4Å
85E94.3Very high96.5Very high134 Ų13454.3 Ų54.363%0.62625%0.252SS*.Hα-helixtrans-61.6-45.3-179.3-171.2-172.6157.900111.3T87 L88 N89E85-T87 VanDerWaalsContact C-N 3.34Å; E85-T87 PolarHBondContact O-N 3.32Å; E85-L88 PolarHBondContact O-N 3.41Å; E85-N89 WeakPolarHBondContact O-CB 3.31Å; E85-N89 PolarHBondContact O-N 3.25Å
86H92.9Very high96.5Very high40 Ų4054.3 Ų54.319%0.18525%0.252CS..Hα-helixtrans-61.7-40.9177.9-67.9158.1000112.2Q83 V84 N89 E90Q83-H86 PolarHBondContact O-N 3.27Å; Q83-H86 PolarHBondContact OE1-ND1 3Å; V84-H86 PolarHBondContact O-N 3.49Å; H86-N89 PolarHBondContact O-N 2.93Å; H86-E90 VanDerWaalsContact O-CB 3.27Å; H86-E90 WeakPolarHBondContact O-CB 3.35Å; H86-E90 PolarHBondContact O-N 3.11Å
87T96.2Very high96.5Very high2 Ų249.4 Ų49.41%0.01223%0.23CC..Hα-helixtrans-68-45.6-179.9-57.30000111.9L73 V78 Q83 V84 E85 N89 E90 K91 L115 F349L73-T87 HydrophobicContact CD1-CG2 3.6Å; V78-T87 WeakPolarHBondContact CG1-OG1 3.45Å; Q83-T87 WeakPolarHBondContact O-CB 3.11Å; Q83-T87 PolarHBondContact O-N 3.01Å; Q83-T87 PolarHBondContact O-OG1 3.15Å; V84-T87 PolarHBondContact O-N 2.89Å; E85-T87 VanDerWaalsContact C-N 3.34Å; E85-T87 PolarHBondContact O-N 3.32Å; T87-N89 VanDerWaalsContact C-N 3.33Å; T87-N89 PolarHBondContact O-N 2.9Å; T87-E90 PolarHBondContact O-N 3.44Å; T87-K91 PolarHBondContact O-N 3.41Å; T87-K91 VanDerWaalsContact O-N 3.1Å; T87-L115 HydrophobicContact CG2-CD1 3.66Å; T87-F349 HydrophobicContact CG2-CD2 4.42Å; T87-F349 HydrophobicContact CG2-CE2 4.08Å
88L97Very high96.6Very high38 Ų3848.4 Ų48.420%0.19923%0.229CC..Hα-helixtrans-63-42.4176.2-69.9173.7000111.2V84 E85 R92 F346 F349V84-L88 HydrophobicContact CG1-CD1 4.03Å; V84-L88 WeakPolarHBondContact O-CG 3.48Å; V84-L88 PolarHBondContact O-N 3.28Å; E85-L88 PolarHBondContact O-N 3.41Å; L88-R92 VanDerWaalsContact O-CB 3.24Å; L88-R92 WeakPolarHBondContact O-CB 3.38Å; L88-R92 PolarHBondContact O-N 2.8Å; L88-F346 HydrophobicContact CD2-CD1 4.33Å; L88-F349 HydrophobicContact CD2-CB 3.82Å; L88-F349 HydrophobicContact CD2-CD2 4.21Å
89N95.6Very high96.6Very high30 Ų3048.6 Ų48.616%0.1623%0.23CC..Hα-helixtrans-69.2-39.8179.1175.283.9000112.2E85 H86 T87 R92 I93 A187E85-N89 WeakPolarHBondContact O-CB 3.31Å; E85-N89 PolarHBondContact O-N 3.25Å; H86-N89 PolarHBondContact O-N 2.93Å; T87-N89 VanDerWaalsContact C-N 3.33Å; T87-N89 PolarHBondContact O-N 2.9Å; N89-R92 PolarHBondContact O-N 3.46Å; N89-I93 VanDerWaalsContact ND2-CD1 3.35Å; N89-I93 WeakPolarHBondContact ND2-CD1 3.48Å; N89-I93 WeakPolarHBondContact O-CB 3.26Å; N89-I93 VanDerWaalsContact O-CG1 3.26Å; N89-I93 WeakPolarHBondContact O-CG1 3.36Å; N89-I93 PolarHBondContact O-N 3.22Å; N89-A187 PolarHBondContact ND2-O 3.08Å
90E96.9Very high96.7Very high4 Ų448 Ų482%0.01923%0.227CC..Hα-helixtrans-55.6-54.6172.9177.8174.4-152.800110.4K71 H86 T87 R92 I93 L94 M117 F184 G185K71-E90 IonicContact NZ-OE1 3.67Å; K71-E90 PolarHBondContact NZ-OE1 3.39Å; K71-E90 IonicContact NZ-OE2 3.42Å; K71-E90 PolarHBondContact NZ-OE2 3.17Å; H86-E90 VanDerWaalsContact O-CB 3.27Å; H86-E90 WeakPolarHBondContact O-CB 3.35Å; H86-E90 PolarHBondContact O-N 3.11Å; T87-E90 PolarHBondContact O-N 3.44Å; E90-R92 VanDerWaalsContact C-N 3.29Å; E90-R92 PolarHBondContact O-N 3.37Å; E90-I93 PolarHBondContact O-N 2.98Å; E90-L94 HydrophobicContact CG-CD1 3.78Å; E90-L94 HydrophobicContact CG-CG 4.41Å; E90-L94 WeakPolarHBondContact O-CB 3.39Å; E90-L94 WeakPolarHBondContact O-CG 3.41Å; E90-L94 PolarHBondContact O-N 3.4Å; E90-M117 HydrophobicContact CG-SD 4.38Å; E90-F184 HydrophobicContact CG-CB 4.03Å; E90-F184 PolarHBondContact OE1-N 3.22Å; E90-G185 PolarHBondContact OE1-N 3.34Å
91K97.7Very high96.8Very high4 Ų439.6 Ų39.62%0.01719%0.19CC..Hα-helixtrans-58.3-43.3178-176.2-92.9173164.80111.5A33 T87 I93 L94 Q95 M105 S108 M117 F349A33-K91 PolarHBondContact O-NZ 3.39Å; T87-K91 PolarHBondContact O-N 3.41Å; T87-K91 VanDerWaalsContact O-N 3.1Å; K91-I93 VanDerWaalsContact C-N 3.33Å; K91-I93 PolarHBondContact O-N 2.85Å; K91-L94 PolarHBondContact O-N 3.35Å; K91-Q95 WeakPolarHBondContact O-CG 3.33Å; K91-Q95 PolarHBondContact O-N 3.05Å; K91-Q95 VanDerWaalsContact O-N 3.11Å; K91-M105 HydrophobicContact CG-CE 4.13Å; K91-M105 HydrophobicContact CG-SD 4.39Å; K91-S108 WeakPolarHBondContact CE-OG 3.44Å; K91-M117 HydrophobicContact CB-SD 3.92Å; K91-M117 HydrophobicContact CG-CG 4.41Å; K91-M117 HydrophobicContact CG-SD 4.37Å; K91-F349 HydrophobicContact CB-CD2 4.32Å; K91-F349 HydrophobicContact CB-CE2 3.85Å; K91-F349 HydrophobicContact CB-CZ 4.31Å; K91-F349 WeakPolarHBondContact CD-OXT 3.46Å; K91-F349 WeakPolarHBondContact CE-OXT 3.11Å; K91-F349 HydrophobicContact CG-CD2 4.37Å; K91-F349 HydrophobicContact CG-CE1 4.43Å; K91-F349 HydrophobicContact CG-CE2 3.94Å; K91-F349 HydrophobicContact CG-CZ 3.97Å; K91-F349 PolarHBondContact NZ-OXT 3.38Å
92R97.6Very high96.9Very high85 Ų8535.9 Ų35.932%0.32117%0.171SC..Hα-helixtrans-65.6-35.3-178.8-167.7178.9-176.2160.45.1112.8W29 L88 N89 E90 Q95 A96W29-R92 HydrophobicContact CD2-CG 4.31Å; W29-R92 HydrophobicContact CE3-CG 3.9Å; W29-R92 HydrophobicContact CH2-CB 4.36Å; W29-R92 HydrophobicContact CH2-CG 3.88Å; W29-R92 HydrophobicContact CZ2-CG 4.28Å; W29-R92 HydrophobicContact CZ3-CB 4.17Å; W29-R92 HydrophobicContact CZ3-CG 3.67Å; W29-R92 PolarHBondContact O-NE 3.41Å; W29-R92 PolarHBondContact O-NH2 2.79Å; L88-R92 VanDerWaalsContact O-CB 3.24Å; L88-R92 WeakPolarHBondContact O-CB 3.38Å; L88-R92 PolarHBondContact O-N 2.8Å; N89-R92 PolarHBondContact O-N 3.46Å; E90-R92 VanDerWaalsContact C-N 3.29Å; E90-R92 PolarHBondContact O-N 3.37Å; R92-Q95 VanDerWaalsContact O-CG 3.3Å; R92-Q95 WeakPolarHBondContact O-CG 3.48Å; R92-A96 WeakPolarHBondContact O-CB 3.5Å
93I98.1Very high97.1Very high0 Ų027.1 Ų27.10%013%0.133CC..Hα-helixtrans-71.1-51.4174.1-69.1168.7000109.8W29 N89 E90 K91 Q95 A96 I97 L161 F184 A187W29-I93 HydrophobicContact CH2-CG1 4.1Å; W29-I93 HydrophobicContact CZ3-CB 4.46Å; W29-I93 HydrophobicContact CZ3-CG1 3.66Å; N89-I93 VanDerWaalsContact ND2-CD1 3.35Å; N89-I93 WeakPolarHBondContact ND2-CD1 3.48Å; N89-I93 WeakPolarHBondContact O-CB 3.26Å; N89-I93 VanDerWaalsContact O-CG1 3.26Å; N89-I93 WeakPolarHBondContact O-CG1 3.36Å; N89-I93 PolarHBondContact O-N 3.22Å; E90-I93 PolarHBondContact O-N 2.98Å; K91-I93 VanDerWaalsContact C-N 3.33Å; K91-I93 PolarHBondContact O-N 2.85Å; I93-Q95 VanDerWaalsContact C-N 3.3Å; I93-Q95 PolarHBondContact O-N 2.68Å; I93-A96 PolarHBondContact O-N 3.14Å; I93-I97 HydrophobicContact CG2-CD1 4.22Å; I93-I97 HydrophobicContact CG2-CG2 3.92Å; I93-I97 WeakPolarHBondContact O-CG1 3.35Å; I93-I97 PolarHBondContact O-N 3.03Å; I93-L161 HydrophobicContact CD1-CD2 3.82Å; I93-L161 HydrophobicContact CG1-CD2 3.84Å; I93-L161 HydrophobicContact CG2-CD1 4.07Å; I93-L161 HydrophobicContact CG2-CD2 4.41Å; I93-F184 HydrophobicContact CG2-CD1 3.66Å; I93-F184 HydrophobicContact CG2-CE1 4.21Å; I93-F184 HydrophobicContact CG2-CG 4.37Å; I93-A187 HydrophobicContact CD1-CB 3.59Å
94L98.1Very high97.2Very high3 Ų327.3 Ų27.32%0.01614%0.136CC..Hα-helixtrans-58.3-36.5-175.5-79.1172.9000113.9E90 K91 A96 I97 V103 M105 M117 L119 F184E90-L94 HydrophobicContact CG-CD1 3.78Å; E90-L94 HydrophobicContact CG-CG 4.41Å; E90-L94 WeakPolarHBondContact O-CB 3.39Å; E90-L94 WeakPolarHBondContact O-CG 3.41Å; E90-L94 PolarHBondContact O-N 3.4Å; K91-L94 PolarHBondContact O-N 3.35Å; L94-A96 VanDerWaalsContact C-N 3.3Å; L94-I97 HydrophobicContact CD2-CD1 4.3Å; L94-V103 HydrophobicContact CD2-CG1 3.98Å; L94-M105 HydrophobicContact CB-CB 3.98Å; L94-M105 HydrophobicContact CB-CE 4.23Å; L94-M105 HydrophobicContact CB-SD 4.04Å; L94-M117 HydrophobicContact CD1-SD 3.97Å; L94-L119 HydrophobicContact CD1-CD2 4.06Å; L94-L119 HydrophobicContact CD2-CD2 4.27Å; L94-F184 HydrophobicContact CD2-CB 4.4Å; L94-F184 HydrophobicContact CD2-CD2 3.57Å; L94-F184 HydrophobicContact CD2-CE2 4.04Å; L94-F184 HydrophobicContact CD2-CG 4.1Å; L94-F184 HydrophobicContact CG-CB 4.27Å; L94-F184 HydrophobicContact CG-CD2 4.35Å; L94-F184 HydrophobicContact CG-CG 4.45Å
95Q97.4Very high97.3Very high26 Ų2627.1 Ų27.112%0.12113%0.133CC..THydrogen-bonded Turntrans-73.7-21175.767.9-172.8-1.200113.6A33 K91 R92 I93 M105A33-Q95 PolarHBondContact O-OE1 2.92Å; K91-Q95 WeakPolarHBondContact O-CG 3.33Å; K91-Q95 PolarHBondContact O-N 3.05Å; K91-Q95 VanDerWaalsContact O-N 3.11Å; R92-Q95 VanDerWaalsContact O-CG 3.3Å; R92-Q95 WeakPolarHBondContact O-CG 3.48Å; I93-Q95 VanDerWaalsContact C-N 3.3Å; I93-Q95 PolarHBondContact O-N 2.68Å; Q95-M105 HydrophobicContact CB-CE 3.47Å; Q95-M105 VanDerWaalsContact CB-CE 3.47Å
96A98Very high97.4Very high1 Ų123.7 Ų23.71%0.00812%0.121CC..THydrogen-bonded Turntrans-99.7-26.8-170.600000112.8F25 R28 W29 R92 I93 L94F25-A96 HydrophobicContact CD2-CB 3.65Å; F25-A96 WeakPolarHBondContact CD2-O 3.1Å; F25-A96 HydrophobicContact CE2-CB 3.55Å; F25-A96 HydrophobicContact CZ-CB 4.44Å; R28-A96 HydrophobicContact CB-CB 4.04Å; W29-A96 HydrophobicContact CB-CB 4.25Å; W29-A96 HydrophobicContact CE3-CB 4.06Å; R92-A96 WeakPolarHBondContact O-CB 3.5Å; I93-A96 PolarHBondContact O-N 3.14Å; L94-A96 VanDerWaalsContact C-N 3.3Å
97I98.3Very high97.7Very high5 Ų523.6 Ų23.63%0.02612%0.12CC..  trans-80.3154.8176.864.3179.5000112F25 I93 L94 L102 Y155 L156 L159 L161 F184F25-I97 HydrophobicContact CD2-CG2 4.23Å; F25-I97 HydrophobicContact CE2-CG2 4.09Å; I93-I97 HydrophobicContact CG2-CD1 4.22Å; I93-I97 HydrophobicContact CG2-CG2 3.92Å; I93-I97 WeakPolarHBondContact O-CG1 3.35Å; I93-I97 PolarHBondContact O-N 3.03Å; L94-I97 HydrophobicContact CD2-CD1 4.3Å; I97-L102 HydrophobicContact CB-CD1 4.42Å; I97-L102 HydrophobicContact CD1-CB 4.37Å; I97-L102 HydrophobicContact CD1-CD1 3.95Å; I97-Y155 WeakPolarHBondContact CA-OH 3.34Å; I97-Y155 HydrophobicContact CB-CE1 4.11Å; I97-Y155 HydrophobicContact CG2-CE1 4.22Å; I97-L156 HydrophobicContact CG2-CD2 4.19Å; I97-L159 HydrophobicContact CG2-CD1 4.44Å; I97-L161 HydrophobicContact CG2-CD1 3.74Å; I97-F184 HydrophobicContact CD1-CD1 4.22Å; I97-F184 HydrophobicContact CD1-CE1 3.61Å; I97-F184 HydrophobicContact CD1-CE2 4.02Å; I97-F184 HydrophobicContact CD1-CZ 3.48Å; I97-F184 VanDerWaalsContact CD1-CZ 3.48Å
98D97.7Very high97.8Very high78 Ų7823.6 Ų23.642%0.41712%0.121SC..  trans-159.3101.5179.6-164.9-12.9000108.7R28 Y155R28-D98 IonicContact CZ-OD2 3.54Å; R28-D98 IonicContact NH1-OD2 3.24Å; R28-D98 PolarHBondContact NH1-OD2 3.04Å; R28-D98 IonicContact NH2-OD2 2.88Å; R28-D98 PolarHBondContact NH2-OD2 3.46Å; D98-Y155 PolarHBondContact N-OH 3.4Å; D98-Y155 WeakPolarHBondContact O-CE2 3.3Å; D98-Y155 PolarHBondContact O-OH 2.87Å
99F98.4Very high97.9Very high4 Ų422 Ų222%0.01811%0.112CC..  trans-154.6143.5-177.4-163.9-109.4000111.8F17 F101 L102 L151 A152 Y155 Y305F17-F99 AromaticContact CE1-CD2 3.94Å; F17-F99 HydrophobicContact CE1-CD2 3.94Å; F17-F99 AromaticContact CE1-CE2 3.52Å; F17-F99 HydrophobicContact CE1-CE2 3.52Å; F17-F99 AromaticContact CZ-CD2 3.67Å; F17-F99 HydrophobicContact CZ-CD2 3.67Å; F17-F99 AromaticContact CZ-CE2 3.63Å; F17-F99 HydrophobicContact CZ-CE2 3.63Å; F99-F101 HydrophobicContact CD1-CB 4.38Å; F99-F101 HydrophobicContact CD1-CD2 4.29Å; F99-F101 AromaticContact CE1-CD2 3.66Å; F99-F101 HydrophobicContact CE1-CD2 3.66Å; F99-F101 HydrophobicContact CE1-CE2 4.23Å; F99-F101 HydrophobicContact CE1-CG 4.41Å; F99-F101 HydrophobicContact CZ-CD2 4.5Å; F99-F101 PolarHBondContact O-N 3.09Å; F99-L102 HydrophobicContact CB-CB 4.32Å; F99-L102 HydrophobicContact CB-CD1 3.71Å; F99-L102 HydrophobicContact CB-CG 3.81Å; F99-L102 HydrophobicContact CD1-CG 4.2Å; F99-L102 HydrophobicContact CG-CD1 4.49Å; F99-L102 HydrophobicContact CG-CG 4.47Å; F99-L102 PolarHBondContact O-N 2.83Å; F99-L151 HydrophobicContact CE1-CB 4.17Å; F99-L151 HydrophobicContact CZ-CB 4.02Å; F99-L151 WeakPolarHBondContact CZ-O 3.45Å; F99-A152 HydrophobicContact CD1-CB 4.32Å; F99-A152 HydrophobicContact CE1-CB 4.22Å; F99-Y155 HydrophobicContact CB-CD1 3.84Å; F99-Y155 HydrophobicContact CB-CD2 4.28Å; F99-Y155 HydrophobicContact CB-CE1 3.86Å; F99-Y155 HydrophobicContact CB-CE2 4.24Å; F99-Y155 HydrophobicContact CB-CG 4.07Å; F99-Y155 HydrophobicContact CD1-CG 4.41Å; F99-Y155 HydrophobicContact CD2-CD1 4.18Å; F99-Y155 AromaticContact CD2-CD2 3.45Å; F99-Y155 HydrophobicContact CD2-CD2 3.45Å; F99-Y155 VanDerWaalsContact CD2-CD2 3.45Å; F99-Y155 HydrophobicContact CD2-CE2 4.02Å; F99-Y155 AromaticContact CD2-CG 3.53Å; F99-Y155 HydrophobicContact CD2-CG 3.53Å; F99-Y155 HydrophobicContact CE2-CD2 4.04Å; F99-Y155 HydrophobicContact CE2-CG 4.06Å; F99-Y155 AromaticContact CG-CD1 3.94Å; F99-Y155 HydrophobicContact CG-CD1 3.94Å; F99-Y155 HydrophobicContact CG-CD2 4.06Å; F99-Y155 HydrophobicContact CG-CE1 4.44Å; F99-Y155 HydrophobicContact CG-CE2 4.48Å; F99-Y155 AromaticContact CG-CG 3.75Å; F99-Y155 HydrophobicContact CG-CG 3.75Å; F99-Y305 HydrophobicContact CD2-CE2 4.37Å; F99-Y305 HydrophobicContact CE2-CD2 4.02Å; F99-Y305 AromaticContact CE2-CE2 3.66Å; F99-Y305 HydrophobicContact CE2-CE2 3.66Å; F99-Y305 HydrophobicContact CZ-CD2 4Å; F99-Y305 HydrophobicContact CZ-CE2 4.12Å
100P97.9Very high98Very high35 Ų3523 Ų2323%0.22712%0.115CC..THydrogen-bonded Turntrans-57.8-26.8-171-28.335.7000116K180 Y305P100-K180 VanDerWaalsContact O-CE 3.25Å; P100-K180 WeakPolarHBondContact O-CE 3.26Å; P100-K180 PolarHBondContact O-NZ 3.07Å; P100-Y305 HydrophobicContact CG-CD2 4.07Å; P100-Y305 HydrophobicContact CG-CE2 3.62Å
101F98.7Very high98Very high0 Ų024.1 Ų24.10%012%0.121CC..THydrogen-bonded Turntrans-1079.6-177.5-45.7-45.9000113.6F99 Q148 L151 Y178 L179 K180 I181 I304 K307F99-F101 HydrophobicContact CD1-CB 4.38Å; F99-F101 HydrophobicContact CD1-CD2 4.29Å; F99-F101 AromaticContact CE1-CD2 3.66Å; F99-F101 HydrophobicContact CE1-CD2 3.66Å; F99-F101 HydrophobicContact CE1-CE2 4.23Å; F99-F101 HydrophobicContact CE1-CG 4.41Å; F99-F101 HydrophobicContact CZ-CD2 4.5Å; F99-F101 PolarHBondContact O-N 3.09Å; F101-Q148 HydrophobicContact CD1-CB 4.35Å; F101-Q148 HydrophobicContact CD1-CG 4.19Å; F101-Q148 HydrophobicContact CD2-CB 3.79Å; F101-Q148 HydrophobicContact CD2-CG 4.16Å; F101-Q148 WeakPolarHBondContact CD2-O 3.38Å; F101-Q148 HydrophobicContact CE1-CG 4.01Å; F101-Q148 HydrophobicContact CE2-CB 4.05Å; F101-Q148 HydrophobicContact CE2-CG 3.99Å; F101-Q148 HydrophobicContact CG-CB 3.98Å; F101-Q148 HydrophobicContact CG-CG 4.29Å; F101-Q148 HydrophobicContact CZ-CB 4.44Å; F101-Q148 HydrophobicContact CZ-CG 3.91Å; F101-L151 HydrophobicContact CD2-CB 4.32Å; F101-L151 HydrophobicContact CE2-CB 4.08Å; F101-L151 HydrophobicContact CE2-CD1 3.83Å; F101-Y178 HydrophobicContact CD1-CD1 4.3Å; F101-Y178 AromaticContact CE1-CD1 3.62Å; F101-Y178 HydrophobicContact CE1-CD1 3.62Å; F101-Y178 HydrophobicContact CE1-CE1 4.12Å; F101-Y178 HydrophobicContact CZ-CD1 4.42Å; F101-L179 WeakPolarHBondContact CA-O 3.35Å; F101-K180 CarbonylContact O-C 3.58Å; F101-K180 WeakPolarHBondContact O-CA 3.5Å; F101-I181 WeakPolarHBondContact O-CG1 3.39Å; F101-I181 PolarHBondContact O-N 2.92Å; F101-I304 HydrophobicContact CE2-CG2 4.24Å; F101-I304 HydrophobicContact CZ-CG2 3.96Å; F101-I304 WeakPolarHBondContact CZ-O 3.46Å; F101-K307 HydrophobicContact CE1-CG 4.18Å
102L98.7Very high98.1Very high0 Ų026.3 Ų26.30%013%0.133CC..BIsolated β-bridgetrans-107.8149172.5-54.1-178.4000108.6I97 F99 A152 Y155 L156 K180 I181 F184I97-L102 HydrophobicContact CB-CD1 4.42Å; I97-L102 HydrophobicContact CD1-CB 4.37Å; I97-L102 HydrophobicContact CD1-CD1 3.95Å; F99-L102 HydrophobicContact CB-CB 4.32Å; F99-L102 HydrophobicContact CB-CD1 3.71Å; F99-L102 HydrophobicContact CB-CG 3.81Å; F99-L102 HydrophobicContact CD1-CG 4.2Å; F99-L102 HydrophobicContact CG-CD1 4.49Å; F99-L102 HydrophobicContact CG-CG 4.47Å; F99-L102 PolarHBondContact O-N 2.83Å; L102-A152 HydrophobicContact CD2-CB 3.95Å; L102-Y155 HydrophobicContact CD1-CD1 3.75Å; L102-Y155 HydrophobicContact CD1-CE1 3.69Å; L102-L156 HydrophobicContact CD1-CD2 3.83Å; L102-L156 HydrophobicContact CD1-CG 4.17Å; L102-L156 HydrophobicContact CD2-CD1 4.44Å; L102-K180 WeakPolarHBondContact O-CD 3.37Å; L102-K180 PolarHBondContact O-NZ 3.28Å; L102-I181 HydrophobicContact CD2-CB 3.73Å; L102-I181 HydrophobicContact CD2-CD1 3.74Å; L102-I181 HydrophobicContact CD2-CG1 3.96Å; L102-I181 HydrophobicContact CD2-CG2 4.45Å; L102-F184 HydrophobicContact CB-CZ 4.44Å; L102-F184 HydrophobicContact CD1-CZ 4.27Å; L102-F184 HydrophobicContact CD2-CZ 4.03Å; L102-F184 HydrophobicContact CG-CZ 4.46Å
103V97.9Very high98.1Very high2 Ų222.9 Ų22.91%0.01212%0.122CC..PPolyproline II helixtrans-69.1132.8172.973.70000110L94 L119 E120 I181 F184L94-V103 HydrophobicContact CD2-CG1 3.98Å; V103-L119 HydrophobicContact CB-CD2 4.46Å; V103-L119 HydrophobicContact CG1-CD2 3.61Å; V103-L119 HydrophobicContact CG2-CB 3.93Å; V103-L119 HydrophobicContact CG2-CD2 3.98Å; V103-E120 WeakPolarHBondContact CA-OE1 3.32Å; V103-E120 HydrophobicContact CG2-CG 3.64Å; V103-I181 WeakPolarHBondContact CB-O 3.47Å; V103-I181 WeakPolarHBondContact CG1-O 3.44Å; V103-I181 PolarHBondContact N-O 2.81Å; V103-F184 HydrophobicContact CG1-CE2 4.48Å
104N97.1Very high98.1Very high52 Ų5223.4 Ų23.428%0.27813%0.125SC..PPolyproline II helixtrans-91.5127.8178.2-69.6-30.6000110.5L119 E120N104-L119 CarbonylContact O-C 3.58Å; N104-L119 WeakPolarHBondContact O-CA 3.19Å; N104-E120 HydrophobicContact CB-CG 4.37Å; N104-E120 WeakPolarHBondContact CB-OE1 3.26Å; N104-E120 PolarHBondContact N-OE1 3.27Å; N104-E120 PolarHBondContact O-N 3.29Å
105M98Very high98.1Very high27 Ų2723.2 Ų23.213%0.13312%0.124CC..EExtended strand (participates in β ladder)trans-87.7120.9167.9-172.7175.773.600109.5K91 L94 Q95 M117K91-M105 HydrophobicContact CG-CE 4.13Å; K91-M105 HydrophobicContact CG-SD 4.39Å; L94-M105 HydrophobicContact CB-CB 3.98Å; L94-M105 HydrophobicContact CB-CE 4.23Å; L94-M105 HydrophobicContact CB-SD 4.04Å; Q95-M105 HydrophobicContact CB-CE 3.47Å; Q95-M105 VanDerWaalsContact CB-CE 3.47Å; M105-M117 HydrophobicContact SD-CB 3.86Å; M105-M117 HydrophobicContact SD-CG 3.81Å; M105-M117 HydrophobicContact SD-SD 4.31Å
106T97.6Very high98.1Very high62 Ų6222 Ų2238%0.3812%0.118SC..EExtended strand (participates in β ladder)trans-94.2-42.8-177.9-51.50000111.4Y68 V118Y68-T106 HydrophobicContact CE1-CG2 4.07Å; Y68-T106 WeakPolarHBondContact CE1-OG1 3.39Å; T106-V118 PolarHBondContact N-O 3.03Å
107F98.3Very high98.1Very high37 Ų3722 Ų2216%0.16212%0.118CC..EExtended strand (participates in β ladder)trans-132.6154.4179.4-45.7-83.2000111.7T36 A37 F42 Y68 V118T36-F107 VanDerWaalsContact OG1-CA 3.29Å; T36-F107 WeakPolarHBondContact OG1-CA 3.03Å; A37-F107 HydrophobicContact CB-CB 3.86Å; A37-F107 HydrophobicContact CB-CD1 3.89Å; A37-F107 HydrophobicContact CB-CG 3.96Å; F42-F107 HydrophobicContact CE1-CD2 4.2Å; F42-F107 HydrophobicContact CE1-CE2 4.32Å; F42-F107 AromaticContact CZ-CD2 3.75Å; F42-F107 HydrophobicContact CZ-CD2 3.75Å; F42-F107 HydrophobicContact CZ-CE2 4.13Å; F42-F107 HydrophobicContact CZ-CG 4.26Å; Y68-F107 HydrophobicContact CE1-CE2 4.42Å; Y68-F107 HydrophobicContact CE2-CE2 4.15Å; Y68-F107 AromaticContact CZ-CE2 3.97Å; F107-V118 HydrophobicContact CB-CB 3.88Å; F107-V118 HydrophobicContact CB-CG2 4Å; F107-V118 HydrophobicContact CD2-CB 4.03Å; F107-V118 HydrophobicContact CD2-CG1 3.9Å; F107-V118 HydrophobicContact CG-CB 4.47Å; F107-V118 PolarHBondContact N-O 3.44Å; F107-V118 PolarHBondContact O-N 3.23Å
108S98.4Very high98.2Very high3 Ų321.7 Ų21.72%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-150137.9169.262.30000110.5N35 T36 K91 Y116N35-S108 VanDerWaalsContact CA-O 3.3Å; N35-S108 WeakPolarHBondContact CA-O 3.27Å; N35-S108 PolarHBondContact N-O 2.96Å; T36-S108 PolarHBondContact N-O 2.99Å; T36-S108 PolarHBondContact OG1-N 2.88Å; T36-S108 PolarHBondContact OG1-O 3.42Å; K91-S108 WeakPolarHBondContact CE-OG 3.44Å; S108-Y116 VanDerWaalsContact CA-O 3.23Å; S108-Y116 WeakPolarHBondContact CA-O 3.26Å
109F98.6Very high98.2Very high5 Ų518.6 Ų18.62%0.02210%0.1CC..EExtended strand (participates in β ladder)trans-158.5174.4-179.657.8-88.7000110.9A37 L39 F42 M70 Y116 V118 F349A37-F109 HydrophobicContact CB-CD1 3.9Å; A37-F109 HydrophobicContact CB-CE1 4.09Å; A37-F109 WeakPolarHBondContact O-CB 3.25Å; A37-F109 VanDerWaalsContact O-CG 3.25Å; A37-F109 WeakPolarHBondContact O-CG 3.4Å; L39-F109 HydrophobicContact CB-CE2 3.93Å; L39-F109 HydrophobicContact CB-CZ 4.35Å; L39-F109 HydrophobicContact CD1-CE2 4.49Å; L39-F109 HydrophobicContact CD1-CZ 4.42Å; L39-F109 VanDerWaalsContact N-CE2 3.31Å; F42-F109 HydrophobicContact CD2-CE1 4.46Å; F42-F109 HydrophobicContact CD2-CZ 4.42Å; F42-F109 AromaticContact CE2-CE1 3.86Å; F42-F109 HydrophobicContact CE2-CE1 3.86Å; F42-F109 HydrophobicContact CE2-CZ 4.26Å; M70-F109 HydrophobicContact CE-CE1 4.34Å; M70-F109 HydrophobicContact CE-CZ 3.93Å; F109-Y116 AromaticContact CD2-CD2 3.37Å; F109-Y116 HydrophobicContact CD2-CD2 3.37Å; F109-Y116 HydrophobicContact CD2-CE2 4.1Å; F109-Y116 AromaticContact CD2-CG 3.76Å; F109-Y116 HydrophobicContact CD2-CG 3.76Å; F109-Y116 HydrophobicContact CE1-CG 4.39Å; F109-Y116 AromaticContact CE2-CD1 3.9Å; F109-Y116 HydrophobicContact CE2-CD1 3.9Å; F109-Y116 AromaticContact CE2-CD2 3.21Å; F109-Y116 HydrophobicContact CE2-CD2 3.21Å; F109-Y116 HydrophobicContact CE2-CE1 4.4Å; F109-Y116 AromaticContact CE2-CE2 3.78Å; F109-Y116 HydrophobicContact CE2-CE2 3.78Å; F109-Y116 AromaticContact CE2-CG 3.27Å; F109-Y116 HydrophobicContact CE2-CG 3.27Å; F109-Y116 HydrophobicContact CG-CD2 4.31Å; F109-Y116 HydrophobicContact CG-CG 4.48Å; F109-Y116 HydrophobicContact CZ-CD1 4.05Å; F109-Y116 HydrophobicContact CZ-CD2 4.07Å; F109-Y116 AromaticContact CZ-CG 3.64Å; F109-Y116 HydrophobicContact CZ-CG 3.64Å; F109-Y116 PolarHBondContact N-O 3.19Å; F109-Y116 VanDerWaalsContact N-O 3.08Å; F109-Y116 WeakPolarHBondContact O-CB 3.49Å; F109-Y116 PolarHBondContact O-N 3.29Å; F109-V118 HydrophobicContact CE1-CG2 3.83Å; F109-F349 WeakPolarHBondContact O-CE1 3.42Å
110K98.2Very high98.1Very high49 Ų4920.6 Ų20.621%0.21311%0.109CC..EExtended strand (participates in β ladder)trans-141.3153.8176.863.7-159.8172.9-152.80110.8N35 N114 L115 F346 A347 F349N35-K110 PolarHBondContact OD1-N 2.78Å; K110-N114 WeakPolarHBondContact CA-O 3.25Å; K110-N114 WeakPolarHBondContact CB-O 3.28Å; K110-L115 HydrophobicContact CB-CD2 3.84Å; K110-L115 HydrophobicContact CD-CD2 4.43Å; K110-F346 PolarHBondContact NZ-O 3.35Å; K110-A347 PolarHBondContact NZ-O 3.31Å; K110-F349 HydrophobicContact CB-CD1 4.35Å; K110-F349 HydrophobicContact CD-CB 4.13Å; K110-F349 HydrophobicContact CD-CD1 4.36Å; K110-F349 PolarHBondContact NZ-O 3.45Å
111D97.9Very high98.1Very high29 Ų2920.1 Ų20.116%0.15510%0.104CC..  trans-125.2-170.1169.768.126.8000110.2K75 S113 N114 Y116 I336K75-D111 VanDerWaalsContact CE-O 3.29Å; K75-D111 WeakPolarHBondContact CE-O 3.36Å; K75-D111 PolarHBondContact NZ-O 2.86Å; D111-S113 PolarHBondContact O-N 3.23Å; D111-S113 PolarHBondContact OD1-N 3.01Å; D111-N114 PolarHBondContact N-O 2.98Å; D111-N114 PolarHBondContact OD1-N 3.27Å; D111-Y116 HydrophobicContact CB-CE2 4.21Å; D111-Y116 WeakPolarHBondContact OD2-CE2 3.49Å; D111-Y116 VanDerWaalsContact OD2-CZ 3.24Å; D111-Y116 PolarHBondContact OD2-OH 3.49Å; D111-I336 HydrophobicContact CB-CG2 4.3Å; D111-I336 WeakPolarHBondContact OD2-CD1 3.44Å; D111-I336 WeakPolarHBondContact OD2-CG1 3.44Å
112N98.2Very high98Very high49 Ų4920.5 Ų20.526%0.26211%0.106SC..SBendtrans-54.2-22.3-179.3-74.9-16.3000115.4I336 S337 E340 K341N112-I336 HydrophobicContact CB-CG2 4.14Å; N112-S337 WeakPolarHBondContact CB-O 3.46Å; N112-S337 PolarHBondContact ND2-O 2.95Å; N112-E340 WeakPolarHBondContact CA-OE2 3.37Å; N112-E340 PolarHBondContact OD1-OE2 3.08Å; N112-E340 VanDerWaalsContact OD1-OE2 3.14Å; N112-K341 VanDerWaalsContact O-CB 3.31Å; N112-K341 WeakPolarHBondContact O-CB 3.22Å; N112-K341 WeakPolarHBondContact O-CG 3.44Å; N112-K341 PolarHBondContact O-N 3.31Å
113S97.9Very high97.9Very high14 Ų1421.2 Ų21.210%0.09811%0.111CC..SBendtrans-126.2-29.8-171.5-620000114.2K75 D111 S337K75-S113 VanDerWaalsContact CB-O 3.32Å; K75-S113 WeakPolarHBondContact CB-O 3.49Å; K75-S113 WeakPolarHBondContact CG-O 3.37Å; K75-S113 PolarHBondContact N-O 3.15Å; D111-S113 PolarHBondContact O-N 3.23Å; D111-S113 PolarHBondContact OD1-N 3.01Å; S113-S337 VanDerWaalsContact OG-CB 3.26Å; S113-S337 WeakPolarHBondContact OG-CB 3.43Å; S113-S337 PolarHBondContact OG-N 2.97Å
114N98.2Very high97.8Very high10 Ų1021.1 Ų21.15%0.05311%0.11CC..EExtended strand (participates in β ladder)trans-129.6157.3-166.5-55.6-65.3000112.8I72 L73 K110 D111 Y116I72-N114 HydrophobicContact CG2-CB 4.02Å; L73-N114 CarbonylContact O-C 3.51Å; L73-N114 WeakPolarHBondContact O-CA 3.22Å; K110-N114 WeakPolarHBondContact CA-O 3.25Å; K110-N114 WeakPolarHBondContact CB-O 3.28Å; D111-N114 PolarHBondContact N-O 2.98Å; D111-N114 PolarHBondContact OD1-N 3.27Å; N114-Y116 HydrophobicContact CB-CD2 4.44Å; N114-Y116 HydrophobicContact CB-CE1 4.21Å; N114-Y116 HydrophobicContact CB-CE2 3.67Å; N114-Y116 WeakPolarHBondContact CB-OH 3.3Å; N114-Y116 PolarHBondContact ND2-OH 3.41Å
115L98.3Very high97.7Very high0 Ų018.6 Ų18.60%010%0.097CC..EExtended strand (participates in β ladder)trans-108.4137.9168-50.8171.9000108.2I72 L73 K75 T87 K110 F346 F349I72-L115 WeakPolarHBondContact CA-O 3.42Å; L73-L115 HydrophobicContact CB-CB 4.26Å; L73-L115 PolarHBondContact N-O 3.42Å; L73-L115 PolarHBondContact O-N 2.88Å; K75-L115 HydrophobicContact CD-CD2 4.2Å; K75-L115 VanDerWaalsContact CE-CD2 3.4Å; K75-L115 HydrophobicContact CG-CD1 4.47Å; K75-L115 HydrophobicContact CG-CD2 3.87Å; K75-L115 HydrophobicContact CG-CG 3.82Å; T87-L115 HydrophobicContact CG2-CD1 3.66Å; K110-L115 HydrophobicContact CB-CD2 3.84Å; K110-L115 HydrophobicContact CD-CD2 4.43Å; L115-F346 HydrophobicContact CD1-CD1 3.54Å; L115-F346 HydrophobicContact CD1-CD2 4.45Å; L115-F346 HydrophobicContact CD1-CE1 3.58Å; L115-F346 HydrophobicContact CD1-CE2 4.49Å; L115-F346 HydrophobicContact CD1-CG 4Å; L115-F346 HydrophobicContact CD1-CZ 4.08Å; L115-F346 HydrophobicContact CD2-CB 3.92Å; L115-F346 HydrophobicContact CD2-CD1 4.22Å; L115-F346 HydrophobicContact CD2-CD2 4.42Å; L115-F346 HydrophobicContact CD2-CG 3.93Å; L115-F346 HydrophobicContact CG-CD1 4.47Å; L115-F346 HydrophobicContact CG-CG 4.49Å; L115-F349 HydrophobicContact CB-CD1 4.36Å; L115-F349 HydrophobicContact CB-CD2 4.22Å; L115-F349 HydrophobicContact CB-CE1 3.92Å; L115-F349 HydrophobicContact CB-CE2 3.77Å; L115-F349 HydrophobicContact CB-CZ 3.61Å; L115-F349 HydrophobicContact CD1-CD2 3.81Å; L115-F349 HydrophobicContact CD1-CE2 3.91Å; L115-F349 HydrophobicContact CD1-CG 4.43Å; L115-F349 HydrophobicContact CD2-CB 4.14Å; L115-F349 HydrophobicContact CD2-CD1 3.9Å; L115-F349 HydrophobicContact CD2-CD2 3.96Å; L115-F349 HydrophobicContact CD2-CE1 4.32Å; L115-F349 HydrophobicContact CD2-CE2 4.37Å; L115-F349 HydrophobicContact CD2-CG 3.71Å; L115-F349 HydrophobicContact CG-CD2 4.21Å; L115-F349 HydrophobicContact CG-CE2 4.22Å; L115-F349 HydrophobicContact CG-CG 4.43Å; L115-F349 HydrophobicContact CG-CZ 4.45Å
116Y98.5Very high97.5Very high0 Ų020.2 Ų20.20%010%0.104CC..EExtended strand (participates in β ladder)trans-123.8125.6-175.8-57.1-90.3000110.1L39 M70 K71 I72 S108 F109 D111 N114 L334L39-Y116 HydrophobicContact CD1-CD1 4.19Å; L39-Y116 HydrophobicContact CD1-CE1 3.68Å; M70-Y116 HydrophobicContact CG-CD1 4.18Å; M70-Y116 HydrophobicContact SD-CD1 3.72Å; M70-Y116 HydrophobicContact SD-CE1 4.28Å; K71-Y116 WeakPolarHBondContact O-CA 3.44Å; I72-Y116 HydrophobicContact CB-CD1 4.42Å; I72-Y116 HydrophobicContact CB-CE1 4.39Å; I72-Y116 HydrophobicContact CD1-CE1 4.39Å; I72-Y116 HydrophobicContact CG1-CD1 3.95Å; I72-Y116 HydrophobicContact CG1-CE1 4.04Å; I72-Y116 HydrophobicContact CG2-CD1 4.12Å; I72-Y116 HydrophobicContact CG2-CE1 3.69Å; S108-Y116 VanDerWaalsContact CA-O 3.23Å; S108-Y116 WeakPolarHBondContact CA-O 3.26Å; F109-Y116 AromaticContact CD2-CD2 3.37Å; F109-Y116 HydrophobicContact CD2-CD2 3.37Å; F109-Y116 HydrophobicContact CD2-CE2 4.1Å; F109-Y116 AromaticContact CD2-CG 3.76Å; F109-Y116 HydrophobicContact CD2-CG 3.76Å; F109-Y116 HydrophobicContact CE1-CG 4.39Å; F109-Y116 AromaticContact CE2-CD1 3.9Å; F109-Y116 HydrophobicContact CE2-CD1 3.9Å; F109-Y116 AromaticContact CE2-CD2 3.21Å; F109-Y116 HydrophobicContact CE2-CD2 3.21Å; F109-Y116 HydrophobicContact CE2-CE1 4.4Å; F109-Y116 AromaticContact CE2-CE2 3.78Å; F109-Y116 HydrophobicContact CE2-CE2 3.78Å; F109-Y116 AromaticContact CE2-CG 3.27Å; F109-Y116 HydrophobicContact CE2-CG 3.27Å; F109-Y116 HydrophobicContact CG-CD2 4.31Å; F109-Y116 HydrophobicContact CG-CG 4.48Å; F109-Y116 HydrophobicContact CZ-CD1 4.05Å; F109-Y116 HydrophobicContact CZ-CD2 4.07Å; F109-Y116 AromaticContact CZ-CG 3.64Å; F109-Y116 HydrophobicContact CZ-CG 3.64Å; F109-Y116 PolarHBondContact N-O 3.19Å; F109-Y116 VanDerWaalsContact N-O 3.08Å; F109-Y116 WeakPolarHBondContact O-CB 3.49Å; F109-Y116 PolarHBondContact O-N 3.29Å; D111-Y116 HydrophobicContact CB-CE2 4.21Å; D111-Y116 WeakPolarHBondContact OD2-CE2 3.49Å; D111-Y116 VanDerWaalsContact OD2-CZ 3.24Å; D111-Y116 PolarHBondContact OD2-OH 3.49Å; N114-Y116 HydrophobicContact CB-CD2 4.44Å; N114-Y116 HydrophobicContact CB-CE1 4.21Å; N114-Y116 HydrophobicContact CB-CE2 3.67Å; N114-Y116 WeakPolarHBondContact CB-OH 3.3Å; N114-Y116 PolarHBondContact ND2-OH 3.41Å; Y116-L334 HydrophobicContact CE1-CD2 4.08Å
117M98.3Very high97.5Very high0 Ų017.2 Ų17.20%09%0.086CC..EExtended strand (participates in β ladder)trans-118.4118.2166.9-65178.1-85.400107.9M70 K71 L73 E90 K91 L94 M105 L119 F349M70-M117 CarbonylContact C-O 3.57Å; M70-M117 WeakPolarHBondContact CA-O 3.5Å; K71-M117 HydrophobicContact CB-CB 4.35Å; K71-M117 HydrophobicContact CD-CE 3.82Å; K71-M117 HydrophobicContact CG-CE 4.27Å; K71-M117 PolarHBondContact N-O 3.36Å; K71-M117 PolarHBondContact O-N 2.87Å; L73-M117 HydrophobicContact CD1-CE 3.63Å; L73-M117 HydrophobicContact CG-CE 4.43Å; E90-M117 HydrophobicContact CG-SD 4.38Å; K91-M117 HydrophobicContact CB-SD 3.92Å; K91-M117 HydrophobicContact CG-CG 4.41Å; K91-M117 HydrophobicContact CG-SD 4.37Å; L94-M117 HydrophobicContact CD1-SD 3.97Å; M105-M117 HydrophobicContact SD-CB 3.86Å; M105-M117 HydrophobicContact SD-CG 3.81Å; M105-M117 HydrophobicContact SD-SD 4.31Å; M117-L119 HydrophobicContact CB-CD1 4.2Å; M117-L119 WeakPolarHBondContact O-CD1 3.46Å; M117-F349 HydrophobicContact CG-CZ 3.85Å
118V98.5Very high97.3Very high0 Ų018.2 Ų18.20%09%0.09CC..EExtended strand (participates in β ladder)trans-102.2103.8-178.6-172.30000108.3F42 Y68 M70 T106 F107 F109F42-V118 HydrophobicContact CE1-CG1 3.92Å; F42-V118 HydrophobicContact CE2-CG2 4.31Å; F42-V118 HydrophobicContact CZ-CG1 4.13Å; F42-V118 HydrophobicContact CZ-CG2 4.05Å; Y68-V118 VanDerWaalsContact CB-CG1 3.41Å; Y68-V118 HydrophobicContact CD1-CG1 4.01Å; Y68-V118 HydrophobicContact CD2-CG1 4.24Å; Y68-V118 HydrophobicContact CG-CG1 3.64Å; M70-V118 HydrophobicContact CE-CG2 3.84Å; M70-V118 HydrophobicContact CG-CG2 4.21Å; T106-V118 PolarHBondContact N-O 3.03Å; F107-V118 HydrophobicContact CB-CB 3.88Å; F107-V118 HydrophobicContact CB-CG2 4Å; F107-V118 HydrophobicContact CD2-CB 4.03Å; F107-V118 HydrophobicContact CD2-CG1 3.9Å; F107-V118 HydrophobicContact CG-CB 4.47Å; F107-V118 PolarHBondContact N-O 3.44Å; F107-V118 PolarHBondContact O-N 3.23Å; F109-V118 HydrophobicContact CE1-CG2 3.83Å
119L98.2Very high97.1Very high12 Ų1219.8 Ų19.86%0.06310%0.101CC..EExtended strand (participates in β ladder)trans-100156.4-176.7-53.9106.3000110.7Y68 A69 K71 L94 V103 N104 M117 F121Y68-L119 CarbonylContact C-O 3.59Å; Y68-L119 WeakPolarHBondContact CA-O 3.22Å; Y68-L119 VanDerWaalsContact CB-O 3.31Å; Y68-L119 WeakPolarHBondContact CB-O 3.43Å; Y68-L119 WeakPolarHBondContact CD1-O 3.43Å; A69-L119 PolarHBondContact N-O 3.28Å; A69-L119 WeakPolarHBondContact O-CD1 3.35Å; A69-L119 PolarHBondContact O-N 3.15Å; K71-L119 HydrophobicContact CB-CD1 3.93Å; L94-L119 HydrophobicContact CD1-CD2 4.06Å; L94-L119 HydrophobicContact CD2-CD2 4.27Å; V103-L119 HydrophobicContact CB-CD2 4.46Å; V103-L119 HydrophobicContact CG1-CD2 3.61Å; V103-L119 HydrophobicContact CG2-CB 3.93Å; V103-L119 HydrophobicContact CG2-CD2 3.98Å; N104-L119 CarbonylContact O-C 3.58Å; N104-L119 WeakPolarHBondContact O-CA 3.19Å; M117-L119 HydrophobicContact CB-CD1 4.2Å; M117-L119 WeakPolarHBondContact O-CD1 3.46Å; L119-F121 PolarHBondContact O-N 3.24Å
120E97.2Very high96.9Very high46 Ų4619.8 Ų19.822%0.21510%0.101CC..EExtended strand (participates in β ladder)trans-55138.616964.7-180137.100111V103 N104 I122 K180V103-E120 WeakPolarHBondContact CA-OE1 3.32Å; V103-E120 HydrophobicContact CG2-CG 3.64Å; N104-E120 HydrophobicContact CB-CG 4.37Å; N104-E120 WeakPolarHBondContact CB-OE1 3.26Å; N104-E120 PolarHBondContact N-OE1 3.27Å; N104-E120 PolarHBondContact O-N 3.29Å; E120-I122 HydrophobicContact CG-CD1 3.68Å; E120-I122 HydrophobicContact CG-CG1 4.38Å; E120-K180 WeakPolarHBondContact OE1-CE 3.04Å; E120-K180 IonicContact OE1-NZ 3.72Å; E120-K180 PolarHBondContact OE1-NZ 2.98Å; E120-K180 IonicContact OE2-NZ 3.81Å; E120-K180 PolarHBondContact OE2-NZ 3.47Å
121F97.7Very high96.8Very high26 Ų2617.5 Ų17.511%0.1149%0.091CC..PPolyproline II helixtrans-83.2122.2177.5174.1-123.9000110.7L48 L58 L119 P320 D322 A323 F326L48-F121 HydrophobicContact CD1-CD2 3.79Å; L48-F121 HydrophobicContact CD1-CE2 3.69Å; L48-F121 HydrophobicContact CD2-CE2 3.97Å; L58-F121 HydrophobicContact CD1-CB 4.34Å; L58-F121 HydrophobicContact CD1-CD1 3.74Å; L58-F121 HydrophobicContact CD1-CD2 3.83Å; L58-F121 HydrophobicContact CD1-CE1 3.93Å; L58-F121 HydrophobicContact CD1-CE2 4.02Å; L58-F121 HydrophobicContact CD1-CG 3.69Å; L58-F121 HydrophobicContact CD1-CZ 4.07Å; L119-F121 PolarHBondContact O-N 3.24Å; F121-P320 WeakPolarHBondContact CD1-O 3.39Å; F121-D322 WeakPolarHBondContact CZ-O 3.25Å; F121-A323 HydrophobicContact CZ-CB 4.29Å; F121-F326 HydrophobicContact CE2-CD2 4.31Å; F121-F326 AromaticContact CE2-CE2 3.59Å; F121-F326 HydrophobicContact CE2-CE2 3.59Å; F121-F326 HydrophobicContact CE2-CZ 4.02Å; F121-F326 AromaticContact CZ-CE2 3.96Å; F121-F326 HydrophobicContact CZ-CE2 3.96Å
122I97.3Very high96.7Very high8 Ų821.6 Ų21.64%0.04110%0.104CC..  trans-105.398.2179.7-51.9-52000109.5E120 G124 L172 I173 D174 K180 F326E120-I122 HydrophobicContact CG-CD1 3.68Å; E120-I122 HydrophobicContact CG-CG1 4.38Å; I122-G124 VanDerWaalsContact C-N 3.33Å; I122-G124 PolarHBondContact O-N 2.62Å; I122-L172 HydrophobicContact CB-CB 3.92Å; I122-L172 HydrophobicContact CB-CD1 3.86Å; I122-L172 HydrophobicContact CG1-CB 4.45Å; I122-L172 HydrophobicContact CG1-CD1 4.13Å; I122-L172 HydrophobicContact CG2-CB 3.55Å; I122-L172 HydrophobicContact CG2-CD1 4.45Å; I122-I173 VanDerWaalsContact CG2-O 3.28Å; I122-I173 WeakPolarHBondContact CG2-O 3.26Å; I122-D174 HydrophobicContact CG2-CB 4.02Å; I122-K180 HydrophobicContact CD1-CB 4.14Å; I122-K180 HydrophobicContact CD1-CD 4.16Å; I122-K180 HydrophobicContact CD1-CG 3.64Å; I122-K180 HydrophobicContact CG1-CB 3.86Å; I122-K180 HydrophobicContact CG1-CG 3.95Å; I122-K180 HydrophobicContact CG2-CB 4.28Å; I122-K180 HydrophobicContact CG2-CG 4.39Å; I122-F326 WeakPolarHBondContact O-CE2 3.16Å; I122-F326 VanDerWaalsContact O-CZ 3.23Å; I122-F326 WeakPolarHBondContact O-CZ 3.3Å
123S95Very high96.5Very high14 Ų1427.7 Ų27.710%0.09812%0.124CC..THydrogen-bonded Turntrans-72.9-15.6-165.656.90000116.2G125 C317 N325S123-G125 VanDerWaalsContact C-N 3.27Å; S123-G125 PolarHBondContact O-N 3.22Å; S123-C317 PolarHBondContact OG-SG 3.24Å; S123-C317 VanDerWaalsContact OG-SG 3.33Å; S123-N325 PolarHBondContact O-ND2 3.38Å
124G96Very high96.4Very high0 Ų031.1 Ų31.10%014%0.14CC..THydrogen-bonded Turntrans-80.2-4.3-177.200000114.7I122 H130 I173 N325I122-G124 VanDerWaalsContact C-N 3.33Å; I122-G124 PolarHBondContact O-N 2.62Å; G124-H130 PolarHBondContact O-NE2 3.19Å; G124-I173 CarbonylContact C-O 3.51Å; G124-I173 WeakPolarHBondContact CA-O 3.39Å; G124-I173 PolarHBondContact N-O 3.39Å; G124-N325 WeakPolarHBondContact O-CB 3.29Å
125G94.5Very high96.3Very high0 Ų032.5 Ų32.50%016%0.156CC..  trans73.2-169.2177.600000113.8S123 L172 I173S123-G125 VanDerWaalsContact C-N 3.27Å; S123-G125 PolarHBondContact O-N 3.22Å; G125-L172 CarbonylContact O-C 3.6Å; G125-L172 WeakPolarHBondContact O-CA 3.24Å; G125-I173 PolarHBondContact O-N 3.31Å
126E94.9Very high96.3Very high60 Ų6037.9 Ų37.928%0.2818%0.177SC..BIsolated β-bridgetrans-77.2139.9-173.4-61.9173.9-170.900112.9F128 S129 H130 L172E126-F128 HydrophobicContact CB-CB 4.3Å; E126-F128 PolarHBondContact O-N 2.97Å; E126-S129 PolarHBondContact O-N 2.95Å; E126-H130 PolarHBondContact O-CD2 3.22Å; E126-H130 PolarHBondContact O-N 3.14Å; E126-L172 HydrophobicContact CB-CD2 4.46Å; E126-L172 HydrophobicContact CG-CD2 3.79Å
127M97.2Very high96.3Very high0 Ų038 Ų380%018%0.178CC..Hα-helixtrans-56.6-36.2169.4173.5-178.4-76.300110.7S129 H130 L131 F137 Y145 P168 L171 L179 L226 M230M127-S129 PolarHBondContact O-N 3.33Å; M127-H130 PolarHBondContact O-N 3.44Å; M127-L131 WeakPolarHBondContact O-CB 3.42Å; M127-L131 PolarHBondContact O-N 2.9Å; M127-F137 HydrophobicContact CE-CE2 4.5Å; M127-F137 HydrophobicContact CG-CE2 4.15Å; M127-F137 HydrophobicContact CG-CZ 4.46Å; M127-F137 HydrophobicContact SD-CE2 4.42Å; M127-Y145 HydrophobicContact CE-CD1 4Å; M127-Y145 HydrophobicContact CE-CD2 3.78Å; M127-Y145 HydrophobicContact CE-CE2 4.31Å; M127-Y145 HydrophobicContact CE-CG 3.61Å; M127-P168 HydrophobicContact CB-CB 4.46Å; M127-P168 HydrophobicContact CG-CB 4.28Å; M127-L171 HydrophobicContact CB-CB 3.99Å; M127-L171 WeakPolarHBondContact CB-O 3.44Å; M127-L171 HydrophobicContact CE-CD1 4.17Å; M127-L171 PolarHBondContact N-O 2.85Å; M127-L171 HydrophobicContact SD-CB 4.46Å; M127-L171 HydrophobicContact SD-CD1 3.81Å; M127-L179 HydrophobicContact CE-CD1 3.93Å; M127-L179 HydrophobicContact CE-CD2 3.4Å; M127-L179 HydrophobicContact CE-CG 4.29Å; M127-L226 HydrophobicContact SD-CD1 4.38Å; M127-M230 HydrophobicContact CE-SD 3.99Å; M127-M230 HydrophobicContact SD-CG 4.2Å; M127-M230 HydrophobicContact SD-SD 3.81Å
128F94.9Very high96.3Very high58 Ų5841 Ų4125%0.25420%0.199SC..Hα-helixtrans-50.9-53.4177.2-177.2-95.1000112E126 H130 L131 R132 P168 E169E126-F128 HydrophobicContact CB-CB 4.3Å; E126-F128 PolarHBondContact O-N 2.97Å; F128-H130 VanDerWaalsContact C-N 3.32Å; F128-H130 PolarHBondContact O-N 2.91Å; F128-L131 PolarHBondContact O-N 3.43Å; F128-R132 HydrophobicContact CD1-CG 4.23Å; F128-R132 HydrophobicContact CE1-CG 3.9Å; F128-R132 HydrophobicContact CE2-CG 4.26Å; F128-R132 HydrophobicContact CZ-CG 3.92Å; F128-R132 WeakPolarHBondContact O-CG 3.12Å; F128-R132 PolarHBondContact O-N 2.64Å; F128-P168 HydrophobicContact CB-CB 3.87Å; F128-P168 HydrophobicContact CD2-CB 4.2Å; F128-P168 PolarHBondContact N-O 3Å; F128-E169 HydrophobicContact CB-CG 4.02Å; F128-E169 HydrophobicContact CD2-CG 3.89Å; F128-E169 WeakPolarHBondContact CD2-OE1 3.37Å; F128-E169 HydrophobicContact CG-CG 3.93Å
129S93.6Very high96.3Very high36 Ų3642.7 Ų42.725%0.25221%0.206SC..Hα-helixtrans-60.8-40.3-179.3-63.80000112.4E126 M127 R133E126-S129 PolarHBondContact O-N 2.95Å; M127-S129 PolarHBondContact O-N 3.33Å; S129-R133 VanDerWaalsContact O-CB 3.28Å; S129-R133 WeakPolarHBondContact O-CB 3.45Å; S129-R133 PolarHBondContact O-N 3.15Å; S129-R133 VanDerWaalsContact O-N 3.11Å
130H94.5Very high96.3Very high5 Ų545.9 Ų45.92%0.02323%0.228CC..Hα-helixtrans-70.2-42.8176.6-65.8-61.9000112.4G124 E126 M127 F128 R133 I134 F313G124-H130 PolarHBondContact O-NE2 3.19Å; E126-H130 PolarHBondContact O-CD2 3.22Å; E126-H130 PolarHBondContact O-N 3.14Å; M127-H130 PolarHBondContact O-N 3.44Å; F128-H130 VanDerWaalsContact C-N 3.32Å; F128-H130 PolarHBondContact O-N 2.91Å; H130-R133 PolarHBondContact O-N 2.76Å; H130-I134 WeakPolarHBondContact O-CB 3.38Å; H130-I134 VanDerWaalsContact O-CG1 3.31Å; H130-I134 WeakPolarHBondContact O-CG1 3.36Å; H130-I134 PolarHBondContact O-N 3.28Å; H130-F313 HydrophobicContact CB-CE1 4.47Å; H130-F313 AromaticContact CD2-CE1 3.95Å; H130-F313 AromaticContact CE1-CE1 3.69Å; H130-F313 AromaticContact CE1-CZ 3.5Å; H130-F313 VanDerWaalsContact CE1-CZ 3.5Å; H130-F313 WeakPolarHBondContact CE1-CZ 2.96Å; H130-F313 AromaticContact CG-CE1 3.75Å; H130-F313 AromaticContact CG-CZ 3.9Å; H130-F313 AromaticContact ND1-CE1 3.6Å; H130-F313 AromaticContact ND1-CZ 3.28Å; H130-F313 VanDerWaalsContact ND1-CZ 3.28Å; H130-F313 WeakPolarHBondContact ND1-CZ 3.29Å; H130-F313 AromaticContact NE2-CE1 3.9Å
131L96.3Very high96.3Very high1 Ų145 Ų451%0.00522%0.224CC..Hα-helixtrans-62.5-45.7179179.759.7000110.9M127 F128 R133 I134 G135 F137 P168 E229M127-L131 WeakPolarHBondContact O-CB 3.42Å; M127-L131 PolarHBondContact O-N 2.9Å; F128-L131 PolarHBondContact O-N 3.43Å; L131-R133 PolarHBondContact O-N 3.17Å; L131-I134 PolarHBondContact O-N 2.9Å; L131-G135 CarbonylContact O-C 3.44Å; L131-G135 WeakPolarHBondContact O-CA 3.25Å; L131-G135 PolarHBondContact O-N 2.78Å; L131-F137 HydrophobicContact CB-CE1 4.36Å; L131-F137 HydrophobicContact CB-CE2 4.4Å; L131-F137 HydrophobicContact CB-CZ 3.95Å; L131-F137 HydrophobicContact CD1-CD1 4.04Å; L131-F137 HydrophobicContact CD1-CD2 4.11Å; L131-F137 HydrophobicContact CD1-CE1 4.03Å; L131-F137 HydrophobicContact CD1-CE2 4.13Å; L131-F137 HydrophobicContact CD1-CG 4.07Å; L131-F137 HydrophobicContact CD1-CZ 4.09Å; L131-P168 HydrophobicContact CD2-CG 4.48Å; L131-E229 HydrophobicContact CD2-CG 3.99Å
132R95.9Very high96.4Very high115 Ų11543.8 Ų43.843%0.43422%0.218SC..Hα-helixtrans-63.4-41177.1-68.5-68.4174-140.8-10.2112.2F128 G135 E229 G233F128-R132 HydrophobicContact CD1-CG 4.23Å; F128-R132 HydrophobicContact CE1-CG 3.9Å; F128-R132 HydrophobicContact CE2-CG 4.26Å; F128-R132 HydrophobicContact CZ-CG 3.92Å; F128-R132 WeakPolarHBondContact O-CG 3.12Å; F128-R132 PolarHBondContact O-N 2.64Å; R132-G135 PolarHBondContact O-N 2.95Å; R132-E229 IonicContact CZ-OE1 3.12Å; R132-E229 IonicContact NH2-OE1 4Å; R132-E229 PolarHBondContact NH2-OE1 3.28Å; R132-G233 PolarHBondContact NH1-O 3.5Å
133R94.3Very high96.4Very high177 Ų17745.4 Ų45.467%0.66822%0.224SC*.Hα-helixtrans-67-41.6178.5-171.8-175.7-58.4162.41.5112.9S129 H130 L131 G135S129-R133 VanDerWaalsContact O-CB 3.28Å; S129-R133 WeakPolarHBondContact O-CB 3.45Å; S129-R133 PolarHBondContact O-N 3.15Å; S129-R133 VanDerWaalsContact O-N 3.11Å; H130-R133 PolarHBondContact O-N 2.76Å; L131-R133 PolarHBondContact O-N 3.17Å; R133-G135 VanDerWaalsContact C-N 3.34Å
134I95.1Very high96.6Very high85 Ų8545.3 Ų45.344%0.43622%0.222SC..Hα-helixtrans-79.8-22.1179.8-64.2179000111H130 L131 R136 F137 F313H130-I134 WeakPolarHBondContact O-CB 3.38Å; H130-I134 VanDerWaalsContact O-CG1 3.31Å; H130-I134 WeakPolarHBondContact O-CG1 3.36Å; H130-I134 PolarHBondContact O-N 3.28Å; L131-I134 PolarHBondContact O-N 2.9Å; I134-R136 VanDerWaalsContact C-N 3.3Å; I134-R136 WeakPolarHBondContact CG2-O 3.4Å; I134-R136 PolarHBondContact O-N 2.91Å; I134-F137 HydrophobicContact CB-CE1 4.29Å; I134-F137 HydrophobicContact CD1-CE1 3.96Å; I134-F137 HydrophobicContact CG2-CD1 4.27Å; I134-F137 HydrophobicContact CG2-CE1 4.49Å; I134-F313 HydrophobicContact CD1-CD2 4.44Å
135G97.1Very high96.7Very high39 Ų3945.3 Ų45.340%0.40222%0.222SC..SBendtrans89.3-56.4-177.200000111.6L131 R132 R133 G233L131-G135 CarbonylContact O-C 3.44Å; L131-G135 WeakPolarHBondContact O-CA 3.25Å; L131-G135 PolarHBondContact O-N 2.78Å; R132-G135 PolarHBondContact O-N 2.95Å; R133-G135 VanDerWaalsContact C-N 3.34Å; G135-G233 WeakPolarHBondContact O-CA 3.38Å
136R97.3Very high97Very high114 Ų11445.3 Ų45.343%0.4322%0.222SC..SBendtrans-156.6151.9172.369.2-169.7-179.4103.40.2111.7I134 H259I134-R136 VanDerWaalsContact C-N 3.3Å; I134-R136 WeakPolarHBondContact CG2-O 3.4Å; I134-R136 PolarHBondContact O-N 2.91Å; R136-H259 PolarHBondContact NH1-CD2 3.45Å; R136-H259 PolarHBondContact NH1-NE2 3.26Å
137F98.1Very high97.1Very high3 Ų342.5 Ų42.51%0.01321%0.208CC..  trans-85.3148.8173.1-63.1-19.4000111.1M127 L131 I134 H141 S142 Y145 M230M127-F137 HydrophobicContact CE-CE2 4.5Å; M127-F137 HydrophobicContact CG-CE2 4.15Å; M127-F137 HydrophobicContact CG-CZ 4.46Å; M127-F137 HydrophobicContact SD-CE2 4.42Å; L131-F137 HydrophobicContact CB-CE1 4.36Å; L131-F137 HydrophobicContact CB-CE2 4.4Å; L131-F137 HydrophobicContact CB-CZ 3.95Å; L131-F137 HydrophobicContact CD1-CD1 4.04Å; L131-F137 HydrophobicContact CD1-CD2 4.11Å; L131-F137 HydrophobicContact CD1-CE1 4.03Å; L131-F137 HydrophobicContact CD1-CE2 4.13Å; L131-F137 HydrophobicContact CD1-CG 4.07Å; L131-F137 HydrophobicContact CD1-CZ 4.09Å; I134-F137 HydrophobicContact CB-CE1 4.29Å; I134-F137 HydrophobicContact CD1-CE1 3.96Å; I134-F137 HydrophobicContact CG2-CD1 4.27Å; I134-F137 HydrophobicContact CG2-CE1 4.49Å; F137-H141 HydrophobicContact CB-CB 4.1Å; F137-S142 WeakPolarHBondContact CB-OG 3.45Å; F137-Y145 AromaticContact CD2-CD2 3.92Å; F137-Y145 HydrophobicContact CD2-CD2 3.92Å; F137-Y145 HydrophobicContact CD2-CE2 4.01Å; F137-Y145 AromaticContact CE2-CD2 3.85Å; F137-Y145 HydrophobicContact CE2-CD2 3.85Å; F137-Y145 AromaticContact CE2-CE2 3.72Å; F137-Y145 HydrophobicContact CE2-CE2 3.72Å; F137-Y145 HydrophobicContact CZ-CE2 4.33Å; F137-M230 HydrophobicContact CD2-CB 3.99Å; F137-M230 HydrophobicContact CD2-CG 4Å; F137-M230 HydrophobicContact CD2-SD 4.13Å; F137-M230 HydrophobicContact CE2-CG 4.34Å; F137-M230 HydrophobicContact CE2-SD 4.4Å; F137-M230 PolarHBondContact N-O 2.86Å
138S98.2Very high97.2Very high63 Ų6342.5 Ų42.544%0.44121%0.208SC..  trans-69.2157.4169.771.20000110.3H141 S142S138-H141 WeakPolarHBondContact O-CA 3.28Å; S138-H141 VanDerWaalsContact O-CB 3.27Å; S138-H141 WeakPolarHBondContact O-CB 3.33Å; S138-H141 PolarHBondContact O-N 3.13Å; S138-H141 WeakPolarHBondContact OG-CB 3.31Å; S138-S142 PolarHBondContact O-N 3.48Å; S138-S142 PolarHBondContact O-OG 2.82Å
139E98.6Very high97.4Very high34 Ų3439.8 Ų39.816%0.15920%0.197CC..Hα-helixtrans-56.9-41.5-179.3-66.9-165.9-153.700114.4H141 S142 R143 S261 L264 W295E139-H141 VanDerWaalsContact C-N 3.27Å; E139-H141 PolarHBondContact O-N 3.48Å; E139-S142 PolarHBondContact O-N 3Å; E139-R143 WeakPolarHBondContact O-CB 3.41Å; E139-R143 PolarHBondContact O-N 3.25Å; E139-S261 VanDerWaalsContact CD-OG 3.31Å; E139-S261 VanDerWaalsContact OE1-CB 3.32Å; E139-S261 WeakPolarHBondContact OE1-CB 3.5Å; E139-S261 PolarHBondContact OE1-N 3.1Å; E139-S261 PolarHBondContact OE1-OG 3.21Å; E139-S261 WeakPolarHBondContact OE2-CB 3.14Å; E139-S261 PolarHBondContact OE2-OG 3.38Å; E139-L264 HydrophobicContact CG-CD2 3.86Å; E139-W295 HydrophobicContact CB-CZ2 4.34Å; E139-W295 PolarHBondContact OE2-NE1 3.08Å
140P98.4Very high97.7Very high79 Ų7938 Ų3851%0.51319%0.185SC..Hα-helixtrans-59.1-37.8172.4-24.535.2000113.7R143 F144P140-R143 PolarHBondContact O-N 3.23Å; P140-F144 PolarHBondContact O-N 3.24Å
141H97.9Very high97.9Very high29 Ų2937.9 Ų37.913%0.13418%0.184CC..Hα-helixtrans-69.9-46.8-179.7-149.6150.1000110.6F137 S138 E139 R143 F144 Y145 P312 F313F137-H141 HydrophobicContact CB-CB 4.1Å; S138-H141 WeakPolarHBondContact O-CA 3.28Å; S138-H141 VanDerWaalsContact O-CB 3.27Å; S138-H141 WeakPolarHBondContact O-CB 3.33Å; S138-H141 PolarHBondContact O-N 3.13Å; S138-H141 WeakPolarHBondContact OG-CB 3.31Å; E139-H141 VanDerWaalsContact C-N 3.27Å; E139-H141 PolarHBondContact O-N 3.48Å; H141-R143 VanDerWaalsContact C-N 3.31Å; H141-R143 PolarHBondContact O-N 2.6Å; H141-F144 PolarHBondContact O-N 3.28Å; H141-Y145 AromaticContact CD2-CE2 3.57Å; H141-Y145 AromaticContact NE2-CE2 3.99Å; H141-Y145 WeakPolarHBondContact O-CD2 3.31Å; H141-Y145 PolarHBondContact O-N 2.91Å; H141-P312 HydrophobicContact CB-CB 4.39Å; H141-P312 HydrophobicContact CB-CG 4.45Å; H141-P312 WeakPolarHBondContact CD2-CB 3.15Å; H141-P312 WeakPolarHBondContact CD2-CG 3.39Å; H141-P312 PolarHBondContact CE1-O 2.98Å; H141-P312 VanDerWaalsContact NE2-CB 3.34Å; H141-P312 WeakPolarHBondContact NE2-CB 3.14Å; H141-P312 VanDerWaalsContact NE2-CG 3.3Å; H141-P312 WeakPolarHBondContact NE2-CG 3.33Å; H141-P312 PolarHBondContact NE2-O 3.24Å; H141-F313 VanDerWaalsContact NE2-CB 3.33Å; H141-F313 WeakPolarHBondContact NE2-CB 3.36Å
142S98.6Very high98Very high0 Ų037.9 Ų37.90%018%0.184CC..Hα-helixtrans-60.6-38171.4-570000112.2F137 S138 E139 Y145 A146 M230F137-S142 WeakPolarHBondContact CB-OG 3.45Å; S138-S142 PolarHBondContact O-N 3.48Å; S138-S142 PolarHBondContact O-OG 2.82Å; E139-S142 PolarHBondContact O-N 3Å; S142-Y145 PolarHBondContact O-N 3.45Å; S142-A146 WeakPolarHBondContact O-CB 3.24Å; S142-A146 PolarHBondContact O-N 2.93Å; S142-M230 WeakPolarHBondContact O-CE 3.46Å; S142-M230 WeakPolarHBondContact OG-CB 3.47Å
143R98.8Very high98.1Very high41 Ų4132.4 Ų32.416%0.15516%0.163CC..Hα-helixtrans-65.6-41.4178.8-174.3-172.2-57.8115.87112.2E139 P140 H141 Y145 A146 A147 W295 F296 T299E139-R143 WeakPolarHBondContact O-CB 3.41Å; E139-R143 PolarHBondContact O-N 3.25Å; P140-R143 PolarHBondContact O-N 3.23Å; H141-R143 VanDerWaalsContact C-N 3.31Å; H141-R143 PolarHBondContact O-N 2.6Å; R143-Y145 VanDerWaalsContact C-N 3.31Å; R143-Y145 PolarHBondContact O-N 3.4Å; R143-A146 PolarHBondContact O-N 3.26Å; R143-A147 VanDerWaalsContact O-CB 3.3Å; R143-A147 WeakPolarHBondContact O-CB 3.45Å; R143-A147 PolarHBondContact O-N 2.91Å; R143-W295 HydrophobicContact CB-CE3 4.4Å; R143-W295 HydrophobicContact CB-CH2 3.55Å; R143-W295 HydrophobicContact CB-CZ2 3.92Å; R143-W295 HydrophobicContact CB-CZ3 3.79Å; R143-W295 WeakPolarHBondContact CD-O 3.36Å; R143-W295 HydrophobicContact CG-CE3 4.11Å; R143-W295 HydrophobicContact CG-CH2 4.14Å; R143-W295 HydrophobicContact CG-CZ3 3.85Å; R143-W295 PolarHBondContact NE-O 2.86Å; R143-F296 HydrophobicContact CG-CD1 3.73Å; R143-F296 HydrophobicContact CG-CE1 3.91Å; R143-T299 WeakPolarHBondContact CD-OG1 3.48Å
144F98.8Very high98.3Very high13 Ų1325.3 Ų25.36%0.05714%0.138CC..Hα-helixtrans-57-46175.9171.8-98.8000111.5P140 H141 Q148 Y178 I304 I309 A311 P312P140-F144 PolarHBondContact O-N 3.24Å; H141-F144 PolarHBondContact O-N 3.28Å; F144-Q148 VanDerWaalsContact CD1-NE2 3.26Å; F144-Q148 PolarHBondContact O-NE2 2.92Å; F144-Y178 AromaticContact CE2-CE1 3.85Å; F144-Y178 HydrophobicContact CE2-CE1 3.85Å; F144-Y178 HydrophobicContact CE2-CE2 4.33Å; F144-Y178 AromaticContact CE2-CZ 3.74Å; F144-Y178 AromaticContact CZ-CD1 3.89Å; F144-Y178 HydrophobicContact CZ-CD1 3.89Å; F144-Y178 HydrophobicContact CZ-CD2 4.1Å; F144-Y178 AromaticContact CZ-CE1 3.65Å; F144-Y178 HydrophobicContact CZ-CE1 3.65Å; F144-Y178 AromaticContact CZ-CE2 3.88Å; F144-Y178 HydrophobicContact CZ-CE2 3.88Å; F144-Y178 HydrophobicContact CZ-CG 4.11Å; F144-Y178 AromaticContact CZ-CZ 3.63Å; F144-I304 HydrophobicContact CD2-CD1 3.6Å; F144-I304 HydrophobicContact CE2-CD1 3.82Å; F144-I309 HydrophobicContact CD2-CG2 4Å; F144-I309 HydrophobicContact CE2-CB 4.18Å; F144-I309 HydrophobicContact CE2-CG2 4.02Å; F144-A311 HydrophobicContact CE1-CB 4.11Å; F144-A311 HydrophobicContact CZ-CB 3.87Å; F144-P312 HydrophobicContact CB-CG 4.05Å; F144-P312 HydrophobicContact CD1-CG 3.74Å; F144-P312 HydrophobicContact CE1-CG 4.38Å; F144-P312 HydrophobicContact CG-CG 3.95Å
145Y98.8Very high98.5Very high0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-70.8-45.4177.3-68.2-43.8000112.6M127 F137 H141 S142 R143 A147 Q148 I149 G177 L179 M230M127-Y145 HydrophobicContact CE-CD1 4Å; M127-Y145 HydrophobicContact CE-CD2 3.78Å; M127-Y145 HydrophobicContact CE-CE2 4.31Å; M127-Y145 HydrophobicContact CE-CG 3.61Å; F137-Y145 AromaticContact CD2-CD2 3.92Å; F137-Y145 HydrophobicContact CD2-CD2 3.92Å; F137-Y145 HydrophobicContact CD2-CE2 4.01Å; F137-Y145 AromaticContact CE2-CD2 3.85Å; F137-Y145 HydrophobicContact CE2-CD2 3.85Å; F137-Y145 AromaticContact CE2-CE2 3.72Å; F137-Y145 HydrophobicContact CE2-CE2 3.72Å; F137-Y145 HydrophobicContact CZ-CE2 4.33Å; H141-Y145 AromaticContact CD2-CE2 3.57Å; H141-Y145 AromaticContact NE2-CE2 3.99Å; H141-Y145 WeakPolarHBondContact O-CD2 3.31Å; H141-Y145 PolarHBondContact O-N 2.91Å; S142-Y145 PolarHBondContact O-N 3.45Å; R143-Y145 VanDerWaalsContact C-N 3.31Å; R143-Y145 PolarHBondContact O-N 3.4Å; Y145-A147 VanDerWaalsContact C-N 3.26Å; Y145-A147 PolarHBondContact O-N 2.88Å; Y145-Q148 WeakPolarHBondContact O-CB 3.34Å; Y145-Q148 PolarHBondContact O-N 2.87Å; Y145-Q148 VanDerWaalsContact O-N 3.08Å; Y145-I149 PolarHBondContact O-N 2.81Å; Y145-G177 WeakPolarHBondContact CE1-O 3.31Å; Y145-L179 HydrophobicContact CD1-CD1 3.85Å; Y145-L179 HydrophobicContact CD1-CD2 3.58Å; Y145-L179 HydrophobicContact CD1-CG 3.6Å; Y145-L179 HydrophobicContact CE1-CD2 3.83Å; Y145-L179 HydrophobicContact CE1-CG 4.2Å; Y145-L179 HydrophobicContact CG-CD1 4.24Å; Y145-L179 HydrophobicContact CG-CD2 4.36Å; Y145-L179 HydrophobicContact CG-CG 4.44Å; Y145-M230 HydrophobicContact CD2-SD 4.18Å; Y145-M230 HydrophobicContact CG-SD 4.43Å
146A98.9Very high98.6Very high0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-58.6-37.617700000112.5S142 R143 Q148 I149 V150 L223 I227 M230 W295 F296S142-A146 WeakPolarHBondContact O-CB 3.24Å; S142-A146 PolarHBondContact O-N 2.93Å; R143-A146 PolarHBondContact O-N 3.26Å; A146-Q148 VanDerWaalsContact C-N 3.28Å; A146-Q148 PolarHBondContact O-N 3.38Å; A146-I149 PolarHBondContact O-N 3.35Å; A146-V150 VanDerWaalsContact O-CG2 3.31Å; A146-V150 WeakPolarHBondContact O-CG2 3.44Å; A146-V150 PolarHBondContact O-N 2.92Å; A146-L223 HydrophobicContact CB-CD1 4.48Å; A146-I227 HydrophobicContact CB-CD1 3.85Å; A146-I227 HydrophobicContact CB-CG1 3.66Å; A146-M230 HydrophobicContact CB-CE 4.32Å; A146-W295 HydrophobicContact CB-CH2 4.38Å; A146-W295 HydrophobicContact CB-CZ3 4.07Å; A146-F296 HydrophobicContact CB-CE1 4.14Å; A146-F296 HydrophobicContact CB-CZ 3.93Å
147A98.9Very high98.6Very high0 Ų015 Ų150%08%0.082CC..Hα-helixtrans-61.2-37.9177.300000112R143 Y145 V150 L151 F296 T299 W301 I304R143-A147 VanDerWaalsContact O-CB 3.3Å; R143-A147 WeakPolarHBondContact O-CB 3.45Å; R143-A147 PolarHBondContact O-N 2.91Å; Y145-A147 VanDerWaalsContact C-N 3.26Å; Y145-A147 PolarHBondContact O-N 2.88Å; A147-V150 PolarHBondContact O-N 3.43Å; A147-L151 WeakPolarHBondContact O-CG 3.37Å; A147-L151 PolarHBondContact O-N 3.07Å; A147-L151 VanDerWaalsContact O-N 3.13Å; A147-F296 HydrophobicContact CB-CE1 4.15Å; A147-T299 HydrophobicContact CB-CG2 3.81Å; A147-W301 HydrophobicContact CB-CE3 4.43Å; A147-W301 HydrophobicContact CB-CH2 4.23Å; A147-W301 HydrophobicContact CB-CZ3 3.81Å; A147-I304 HydrophobicContact CB-CG1 4.38Å; A147-I304 HydrophobicContact CB-CG2 4.36Å
148Q98.9Very high98.6Very high0 Ų015.8 Ų15.80%09%0.088CC..Hα-helixtrans-68-42.2176.9-65.6165.668.900111.4F101 F144 Y145 A146 L151 A152 Y178 L179 I304F101-Q148 HydrophobicContact CD1-CB 4.35Å; F101-Q148 HydrophobicContact CD1-CG 4.19Å; F101-Q148 HydrophobicContact CD2-CB 3.79Å; F101-Q148 HydrophobicContact CD2-CG 4.16Å; F101-Q148 WeakPolarHBondContact CD2-O 3.38Å; F101-Q148 HydrophobicContact CE1-CG 4.01Å; F101-Q148 HydrophobicContact CE2-CB 4.05Å; F101-Q148 HydrophobicContact CE2-CG 3.99Å; F101-Q148 HydrophobicContact CG-CB 3.98Å; F101-Q148 HydrophobicContact CG-CG 4.29Å; F101-Q148 HydrophobicContact CZ-CB 4.44Å; F101-Q148 HydrophobicContact CZ-CG 3.91Å; F144-Q148 VanDerWaalsContact CD1-NE2 3.26Å; F144-Q148 PolarHBondContact O-NE2 2.92Å; Y145-Q148 WeakPolarHBondContact O-CB 3.34Å; Y145-Q148 PolarHBondContact O-N 2.87Å; Y145-Q148 VanDerWaalsContact O-N 3.08Å; A146-Q148 VanDerWaalsContact C-N 3.28Å; A146-Q148 PolarHBondContact O-N 3.38Å; Q148-L151 PolarHBondContact O-N 3.14Å; Q148-A152 WeakPolarHBondContact O-CB 3.23Å; Q148-A152 PolarHBondContact O-N 3.47Å; Q148-Y178 HydrophobicContact CG-CD1 4.3Å; Q148-Y178 VanDerWaalsContact OE1-CD1 3.26Å; Q148-L179 HydrophobicContact CB-CD1 4.31Å; Q148-I304 HydrophobicContact CG-CG2 3.75Å
149I98.9Very high98.6Very high1 Ų112.9 Ų12.91%0.0057%0.067CC..Hα-helixtrans-64.1-40.9175.9-56.1-55.1000111.4Y145 A146 L151 A152 F153 L166 L171 L179 I181 L223 L226Y145-I149 PolarHBondContact O-N 2.81Å; A146-I149 PolarHBondContact O-N 3.35Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 3.4Å; I149-A152 PolarHBondContact O-N 3.47Å; I149-F153 HydrophobicContact CG2-CD2 3.93Å; I149-F153 HydrophobicContact CG2-CE1 4.32Å; I149-F153 HydrophobicContact CG2-CE2 3.65Å; I149-F153 HydrophobicContact CG2-CG 4.37Å; I149-F153 HydrophobicContact CG2-CZ 3.89Å; I149-F153 PolarHBondContact O-N 3.39Å; I149-L166 HydrophobicContact CD1-CD1 4.2Å; I149-L166 HydrophobicContact CG2-CD1 4.01Å; I149-L166 HydrophobicContact CG2-CD2 3.98Å; I149-L171 HydrophobicContact CD1-CD1 4.1Å; I149-L171 HydrophobicContact CD1-CD2 3.6Å; I149-L179 HydrophobicContact CD1-CD1 3.78Å; I149-L179 HydrophobicContact CG1-CD1 4.13Å; I149-I181 HydrophobicContact CD1-CD1 3.78Å; I149-I181 HydrophobicContact CD1-CG1 4Å; I149-L223 HydrophobicContact CB-CD1 4Å; I149-L223 HydrophobicContact CG2-CD1 3.82Å; I149-L226 HydrophobicContact CG1-CD2 3.95Å
150V98.9Very high98.6Very high0 Ų013.8 Ų13.80%07%0.073CC..Hα-helixtrans-58.2-45175.2168.80000111.1A146 A147 E154 W220 L223 V287 I290 K291 F296 W301A146-V150 VanDerWaalsContact O-CG2 3.31Å; A146-V150 WeakPolarHBondContact O-CG2 3.44Å; A146-V150 PolarHBondContact O-N 2.92Å; A147-V150 PolarHBondContact O-N 3.43Å; V150-E154 WeakPolarHBondContact O-CB 3.34Å; V150-E154 PolarHBondContact O-N 2.88Å; V150-W220 HydrophobicContact CG2-CZ3 4.31Å; V150-L223 HydrophobicContact CG2-CD2 3.53Å; V150-V287 HydrophobicContact CG1-CG2 3.74Å; V150-I290 HydrophobicContact CG1-CG2 4.45Å; V150-I290 HydrophobicContact CG2-CG2 3.82Å; V150-K291 HydrophobicContact CG1-CD 4.27Å; V150-K291 HydrophobicContact CG1-CG 3.74Å; V150-F296 HydrophobicContact CG2-CZ 4.16Å; V150-W301 HydrophobicContact CB-CH2 4.12Å; V150-W301 HydrophobicContact CB-CZ3 3.85Å; V150-W301 HydrophobicContact CG1-CH2 3.85Å; V150-W301 HydrophobicContact CG1-CZ3 3.69Å; V150-W301 HydrophobicContact CG2-CH2 4.42Å
151L98.8Very high98.6Very high2 Ų210.1 Ų10.11%0.015%0.049CC..Hα-helixtrans-67.2-39.6177.6-69.5174.8000112.2F14 F99 F101 A147 Q148 I149 E154 Y155 W301 I304F14-L151 HydrophobicContact CD1-CD2 4.37Å; F14-L151 HydrophobicContact CE1-CD2 3.59Å; F14-L151 HydrophobicContact CE2-CD2 4.21Å; F14-L151 HydrophobicContact CZ-CD1 4.48Å; F14-L151 HydrophobicContact CZ-CD2 3.49Å; F14-L151 VanDerWaalsContact CZ-CD2 3.49Å; F99-L151 HydrophobicContact CE1-CB 4.17Å; F99-L151 HydrophobicContact CZ-CB 4.02Å; F99-L151 WeakPolarHBondContact CZ-O 3.45Å; F101-L151 HydrophobicContact CD2-CB 4.32Å; F101-L151 HydrophobicContact CE2-CB 4.08Å; F101-L151 HydrophobicContact CE2-CD1 3.83Å; A147-L151 WeakPolarHBondContact O-CG 3.37Å; A147-L151 PolarHBondContact O-N 3.07Å; A147-L151 VanDerWaalsContact O-N 3.13Å; Q148-L151 PolarHBondContact O-N 3.14Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 3.4Å; L151-E154 PolarHBondContact O-N 3.11Å; L151-Y155 WeakPolarHBondContact O-CB 3.46Å; L151-Y155 PolarHBondContact O-N 3.17Å; L151-W301 HydrophobicContact CD1-CE3 4.22Å; L151-W301 HydrophobicContact CD2-CE3 3.86Å; L151-W301 HydrophobicContact CG-CE3 3.87Å; L151-W301 HydrophobicContact CG-CZ3 4.27Å; L151-I304 HydrophobicContact CD1-CB 4.27Å; L151-I304 HydrophobicContact CD1-CG2 3.78Å
152A98.8Very high98.6Very high0 Ų08.9 Ų8.90%04%0.044CC..Hα-helixtrans-64.5-42.2176.500000112.1F99 L102 Q148 I149 Y155 L156 I181F99-A152 HydrophobicContact CD1-CB 4.32Å; F99-A152 HydrophobicContact CE1-CB 4.22Å; L102-A152 HydrophobicContact CD2-CB 3.95Å; Q148-A152 WeakPolarHBondContact O-CB 3.23Å; Q148-A152 PolarHBondContact O-N 3.47Å; I149-A152 PolarHBondContact O-N 3.47Å; A152-Y155 WeakPolarHBondContact O-CB 3.41Å; A152-Y155 PolarHBondContact O-N 3.31Å; A152-L156 WeakPolarHBondContact O-CG 3.43Å; A152-L156 PolarHBondContact O-N 3.13Å; A152-I181 HydrophobicContact CB-CD1 3.57Å
153F98.9Very high98.6Very high0 Ų08.9 Ų8.90%04%0.044CC..Hα-helixtrans-70-38.9174.8-73.1-11.7000112.7I149 Y155 L156 H157 Y163 L166 D219 W220 L223I149-F153 HydrophobicContact CG2-CD2 3.93Å; I149-F153 HydrophobicContact CG2-CE1 4.32Å; I149-F153 HydrophobicContact CG2-CE2 3.65Å; I149-F153 HydrophobicContact CG2-CG 4.37Å; I149-F153 HydrophobicContact CG2-CZ 3.89Å; I149-F153 PolarHBondContact O-N 3.39Å; F153-Y155 VanDerWaalsContact C-N 3.25Å; F153-Y155 PolarHBondContact O-N 3.49Å; F153-L156 HydrophobicContact CD1-CD1 4.39Å; F153-L156 PolarHBondContact O-N 2.7Å; F153-H157 WeakPolarHBondContact O-CB 3.37Å; F153-H157 PolarHBondContact O-CD2 2.74Å; F153-H157 PolarHBondContact O-N 3.39Å; F153-Y163 HydrophobicContact CE1-CD1 4.03Å; F153-Y163 HydrophobicContact CE1-CG 4.22Å; F153-Y163 HydrophobicContact CZ-CD1 4.37Å; F153-L166 HydrophobicContact CE2-CD2 3.93Å; F153-L166 HydrophobicContact CZ-CB 4.07Å; F153-L166 HydrophobicContact CZ-CD1 4.08Å; F153-L166 HydrophobicContact CZ-CD2 3.8Å; F153-L166 HydrophobicContact CZ-CG 4.21Å; F153-D219 HydrophobicContact CD1-CB 4.5Å; F153-D219 HydrophobicContact CD2-CB 3.91Å; F153-D219 HydrophobicContact CE1-CB 4.26Å; F153-D219 HydrophobicContact CE2-CB 3.65Å; F153-D219 VanDerWaalsContact CE2-O 3.23Å; F153-D219 WeakPolarHBondContact CE2-O 3.41Å; F153-D219 HydrophobicContact CG-CB 4.33Å; F153-D219 HydrophobicContact CZ-CB 3.81Å; F153-W220 HydrophobicContact CB-CH2 3.56Å; F153-W220 HydrophobicContact CB-CZ2 4.05Å; F153-W220 HydrophobicContact CB-CZ3 3.89Å; F153-W220 HydrophobicContact CD2-CE3 4.03Å; F153-W220 HydrophobicContact CD2-CH2 4.41Å; F153-W220 AromaticContact CD2-CZ3 3.91Å; F153-W220 HydrophobicContact CD2-CZ3 3.91Å; F153-W220 HydrophobicContact CG-CZ3 4.44Å; F153-L223 HydrophobicContact CE2-CB 4.27Å
154E98.6Very high98.6Very high29 Ų297.7 Ų7.714%0.1364%0.039CC..Hα-helixtrans-55.8-44.5172.1-178.6171.8-148.900111L18 V150 L151 S158 V287 K291L18-E154 HydrophobicContact CD1-CG 3.94Å; V150-E154 WeakPolarHBondContact O-CB 3.34Å; V150-E154 PolarHBondContact O-N 2.88Å; L151-E154 PolarHBondContact O-N 3.11Å; E154-S158 WeakPolarHBondContact O-CB 3.27Å; E154-S158 PolarHBondContact O-N 2.92Å; E154-V287 HydrophobicContact CB-CG2 4.28Å; E154-V287 HydrophobicContact CG-CG1 4Å; E154-V287 WeakPolarHBondContact OE1-CG1 3.32Å; E154-K291 IonicContact OE1-NZ 2.64Å; E154-K291 PolarHBondContact OE1-NZ 3.01Å; E154-K291 IonicContact OE2-NZ 2.78Å; E154-K291 PolarHBondContact OE2-NZ 2.92Å
155Y98.8Very high98.5Very high3 Ų37.4 Ų7.41%0.0124%0.038CC..Hα-helixtrans-61.3-58.8173.1170.6-94.7000112.2F17 L18 A21 I97 D98 F99 L102 L151 A152 F153 H157 S158 L159F17-Y155 AromaticContact CE1-CD2 3.98Å; F17-Y155 HydrophobicContact CE1-CD2 3.98Å; F17-Y155 HydrophobicContact CZ-CD2 4.14Å; F17-Y155 HydrophobicContact CZ-CE2 4.43Å; L18-Y155 HydrophobicContact CD2-CD2 4.43Å; A21-Y155 HydrophobicContact CB-CD2 4.28Å; A21-Y155 HydrophobicContact CB-CE2 3.82Å; I97-Y155 WeakPolarHBondContact CA-OH 3.34Å; I97-Y155 HydrophobicContact CB-CE1 4.11Å; I97-Y155 HydrophobicContact CG2-CE1 4.22Å; D98-Y155 PolarHBondContact N-OH 3.4Å; D98-Y155 WeakPolarHBondContact O-CE2 3.3Å; D98-Y155 PolarHBondContact O-OH 2.87Å; F99-Y155 HydrophobicContact CB-CD1 3.84Å; F99-Y155 HydrophobicContact CB-CD2 4.28Å; F99-Y155 HydrophobicContact CB-CE1 3.86Å; F99-Y155 HydrophobicContact CB-CE2 4.24Å; F99-Y155 HydrophobicContact CB-CG 4.07Å; F99-Y155 HydrophobicContact CD1-CG 4.41Å; F99-Y155 HydrophobicContact CD2-CD1 4.18Å; F99-Y155 AromaticContact CD2-CD2 3.45Å; F99-Y155 HydrophobicContact CD2-CD2 3.45Å; F99-Y155 VanDerWaalsContact CD2-CD2 3.45Å; F99-Y155 HydrophobicContact CD2-CE2 4.02Å; F99-Y155 AromaticContact CD2-CG 3.53Å; F99-Y155 HydrophobicContact CD2-CG 3.53Å; F99-Y155 HydrophobicContact CE2-CD2 4.04Å; F99-Y155 HydrophobicContact CE2-CG 4.06Å; F99-Y155 AromaticContact CG-CD1 3.94Å; F99-Y155 HydrophobicContact CG-CD1 3.94Å; F99-Y155 HydrophobicContact CG-CD2 4.06Å; F99-Y155 HydrophobicContact CG-CE1 4.44Å; F99-Y155 HydrophobicContact CG-CE2 4.48Å; F99-Y155 AromaticContact CG-CG 3.75Å; F99-Y155 HydrophobicContact CG-CG 3.75Å; L102-Y155 HydrophobicContact CD1-CD1 3.75Å; L102-Y155 HydrophobicContact CD1-CE1 3.69Å; L151-Y155 WeakPolarHBondContact O-CB 3.46Å; L151-Y155 PolarHBondContact O-N 3.17Å; A152-Y155 WeakPolarHBondContact O-CB 3.41Å; A152-Y155 PolarHBondContact O-N 3.31Å; F153-Y155 VanDerWaalsContact C-N 3.25Å; F153-Y155 PolarHBondContact O-N 3.49Å; Y155-H157 PolarHBondContact O-N 3.08Å; Y155-S158 WeakPolarHBondContact O-CB 3.46Å; Y155-S158 PolarHBondContact O-N 2.7Å; Y155-S158 VanDerWaalsContact O-N 3.08Å; Y155-S158 PolarHBondContact O-OG 3.09Å; Y155-L159 HydrophobicContact CD1-CD1 4.27Å; Y155-L159 HydrophobicContact CE1-CD1 3.61Å; Y155-L159 HydrophobicContact CE2-CD1 4.09Å
156L98.7Very high98.5Very high1 Ų17.4 Ų7.41%0.0054%0.038CC..Hα-helixtrans-59.6-44.5-176-71.4174.5000112.1I97 L102 A152 F153 S158 L159 D160 L161 F184I97-L156 HydrophobicContact CG2-CD2 4.19Å; L102-L156 HydrophobicContact CD1-CD2 3.83Å; L102-L156 HydrophobicContact CD1-CG 4.17Å; L102-L156 HydrophobicContact CD2-CD1 4.44Å; A152-L156 WeakPolarHBondContact O-CG 3.43Å; A152-L156 PolarHBondContact O-N 3.13Å; F153-L156 HydrophobicContact CD1-CD1 4.39Å; F153-L156 PolarHBondContact O-N 2.7Å; L156-S158 PolarHBondContact O-N 2.93Å; L156-L159 WeakPolarHBondContact O-CA 3.49Å; L156-L159 WeakPolarHBondContact O-CB 3.18Å; L156-L159 PolarHBondContact O-N 3.24Å; L156-D160 PolarHBondContact O-N 2.9Å; L156-L161 CarbonylContact C-O 3.52Å; L156-L161 HydrophobicContact CB-CB 4.16Å; L156-L161 HydrophobicContact CD2-CB 4.24Å; L156-L161 HydrophobicContact CD2-CD1 3.8Å; L156-L161 WeakPolarHBondContact O-CB 3.41Å; L156-L161 PolarHBondContact O-N 2.91Å; L156-F184 HydrophobicContact CD1-CE1 4.19Å; L156-F184 HydrophobicContact CD2-CE1 4.05Å
157H98.4Very high98.5Very high16 Ų168.9 Ų8.97%0.0745%0.045CC..Hα-helixtrans-67.1-25.7-179.9-66.5-174.8000112.2F153 Y155 L159 D160 L161 K216 D219 W220F153-H157 WeakPolarHBondContact O-CB 3.37Å; F153-H157 PolarHBondContact O-CD2 2.74Å; F153-H157 PolarHBondContact O-N 3.39Å; Y155-H157 PolarHBondContact O-N 3.08Å; H157-L159 PolarHBondContact O-N 2.73Å; H157-D160 PolarHBondContact O-N 3.27Å; H157-L161 PolarHBondContact CD2-O 2.94Å; H157-L161 VanDerWaalsContact CD2-O 3.25Å; H157-K216 HydrophobicContact CB-CD 3.99Å; H157-K216 PolarHBondContact CE1-O 3.29Å; H157-D219 IonicContact CD2-OD2 2.68Å; H157-D219 IonicContact CE1-OD2 2.82Å; H157-D219 IonicContact NE2-OD2 2.73Å; H157-D219 PolarHBondContact NE2-OD2 3.39Å; H157-W220 AromaticContact CE1-CE2 3.67Å; H157-W220 AromaticContact CE1-CZ2 3.91Å; H157-W220 AromaticContact CE1-NE1 3.52Å; H157-W220 AromaticContact ND1-CE2 3.69Å; H157-W220 AromaticContact ND1-CZ2 3.66Å; H157-W220 AromaticContact ND1-NE1 3.47Å; H157-W220 PolarHBondContact ND1-NE1 3.34Å
158S97.7Very high98.4Very high21 Ų218.9 Ų8.915%0.1475%0.045CC..Hα-helixtrans-70.4-15.6173.184.70000113.7R22 E154 Y155 L156R22-S158 PolarHBondContact NE-O 2.96Å; R22-S158 VanDerWaalsContact NE-O 3.13Å; E154-S158 WeakPolarHBondContact O-CB 3.27Å; E154-S158 PolarHBondContact O-N 2.92Å; Y155-S158 WeakPolarHBondContact O-CB 3.46Å; Y155-S158 PolarHBondContact O-N 2.7Å; Y155-S158 VanDerWaalsContact O-N 3.08Å; Y155-S158 PolarHBondContact O-OG 3.09Å; L156-S158 PolarHBondContact O-N 2.93Å
159L98.2Very high98.2Very high2 Ų212 Ų121%0.016%0.059CC..THydrogen-bonded Turntrans-102.77.9178.5-53.8178.4000112.6R22 F25 I97 Y155 L156 H157 L161 R189R22-L159 HydrophobicContact CB-CD2 4.08Å; R22-L159 HydrophobicContact CG-CD2 4.17Å; F25-L159 HydrophobicContact CB-CD1 4.1Å; F25-L159 HydrophobicContact CB-CD2 3.74Å; F25-L159 HydrophobicContact CD1-CB 4.19Å; F25-L159 HydrophobicContact CD1-CD1 4.41Å; F25-L159 HydrophobicContact CD1-CD2 3.98Å; F25-L159 HydrophobicContact CD1-CG 4.42Å; F25-L159 HydrophobicContact CD2-CD1 3.68Å; F25-L159 HydrophobicContact CE1-CB 4.2Å; F25-L159 HydrophobicContact CE2-CD1 4.2Å; F25-L159 HydrophobicContact CG-CB 4.41Å; F25-L159 HydrophobicContact CG-CD1 3.8Å; F25-L159 HydrophobicContact CG-CD2 3.85Å; F25-L159 HydrophobicContact CG-CG 4.23Å; F25-L159 HydrophobicContact CZ-CB 4.44Å; I97-L159 HydrophobicContact CG2-CD1 4.44Å; Y155-L159 HydrophobicContact CD1-CD1 4.27Å; Y155-L159 HydrophobicContact CE1-CD1 3.61Å; Y155-L159 HydrophobicContact CE2-CD1 4.09Å; L156-L159 WeakPolarHBondContact O-CA 3.49Å; L156-L159 WeakPolarHBondContact O-CB 3.18Å; L156-L159 PolarHBondContact O-N 3.24Å; H157-L159 PolarHBondContact O-N 2.73Å; L159-L161 HydrophobicContact CB-CD1 4.08Å; L159-L161 HydrophobicContact CB-CG 4.16Å; L159-L161 HydrophobicContact CD1-CD1 4.2Å; L159-L161 PolarHBondContact O-N 3.33Å; L159-R189 PolarHBondContact O-NE 3.2Å
160D98Very high98.2Very high52 Ų5212.4 Ų12.428%0.2786%0.062SC..THydrogen-bonded Turntrans62.423-170.9-53.1-51.8000113.6L156 H157 R189 V190 K191L156-D160 PolarHBondContact O-N 2.9Å; H157-D160 PolarHBondContact O-N 3.27Å; D160-R189 HydrophobicContact CB-CG 4.15Å; D160-R189 CarbonylContact O-C 3.46Å; D160-R189 VanDerWaalsContact O-CA 3.25Å; D160-R189 WeakPolarHBondContact O-CA 3.3Å; D160-V190 PolarHBondContact O-N 2.94Å; D160-K191 HydrophobicContact CB-CG 4.22Å; D160-K191 WeakPolarHBondContact OD2-CE 3.16Å; D160-K191 WeakPolarHBondContact OD2-CG 3.26Å
161L98.5Very high98.1Very high2 Ų212.4 Ų12.41%0.016%0.062CC..EExtended strand (participates in β ladder)trans-93130.7177.1-65.3169.6000110.8F25 I93 I97 L156 H157 L159 K188 R189F25-L161 HydrophobicContact CE2-CD1 3.89Å; F25-L161 HydrophobicContact CZ-CD1 4.08Å; F25-L161 HydrophobicContact CZ-CG 4.42Å; I93-L161 HydrophobicContact CD1-CD2 3.82Å; I93-L161 HydrophobicContact CG1-CD2 3.84Å; I93-L161 HydrophobicContact CG2-CD1 4.07Å; I93-L161 HydrophobicContact CG2-CD2 4.41Å; I97-L161 HydrophobicContact CG2-CD1 3.74Å; L156-L161 CarbonylContact C-O 3.52Å; L156-L161 HydrophobicContact CB-CB 4.16Å; L156-L161 HydrophobicContact CD2-CB 4.24Å; L156-L161 HydrophobicContact CD2-CD1 3.8Å; L156-L161 WeakPolarHBondContact O-CB 3.41Å; L156-L161 PolarHBondContact O-N 2.91Å; H157-L161 PolarHBondContact CD2-O 2.94Å; H157-L161 VanDerWaalsContact CD2-O 3.25Å; L159-L161 HydrophobicContact CB-CD1 4.08Å; L159-L161 HydrophobicContact CB-CG 4.16Å; L159-L161 HydrophobicContact CD1-CD1 4.2Å; L159-L161 PolarHBondContact O-N 3.33Å; L161-K188 WeakPolarHBondContact CA-O 3.4Å; L161-R189 HydrophobicContact CD2-CB 3.75Å; L161-R189 HydrophobicContact CD2-CG 4.17Å
162I98.4Very high98.1Very high3 Ų313.3 Ų13.32%0.0157%0.066CC..EExtended strand (participates in β ladder)trans-106.6131.8169.1-47.1174.4000107.2R164 A187 K188 V190 K216 V218 D219I162-R164 HydrophobicContact CB-CG 4.05Å; I162-R164 HydrophobicContact CG2-CG 3.44Å; I162-R164 VanDerWaalsContact CG2-CG 3.44Å; I162-A187 CarbonylContact O-C 3.48Å; I162-A187 WeakPolarHBondContact O-CA 3.42Å; I162-K188 PolarHBondContact N-O 3.49Å; I162-K188 PolarHBondContact O-N 3.43Å; I162-V190 HydrophobicContact CD1-CB 4.18Å; I162-K216 HydrophobicContact CG1-CB 4.29Å; I162-V218 HydrophobicContact CG2-CG2 3.78Å; I162-D219 WeakPolarHBondContact CG2-OD2 3.47Å
163Y98.6Very high98Very high1 Ų113.3 Ų13.30%0.0047%0.066CC..  trans-83.7-45.7-173.6-179-114.8000113.3F153 D165 L166 N170 I181 T182 D183 F184 F186 A187 D219F153-Y163 HydrophobicContact CE1-CD1 4.03Å; F153-Y163 HydrophobicContact CE1-CG 4.22Å; F153-Y163 HydrophobicContact CZ-CD1 4.37Å; Y163-D165 VanDerWaalsContact C-N 3.26Å; Y163-D165 WeakPolarHBondContact CE1-O 3.34Å; Y163-D165 PolarHBondContact O-N 3.49Å; Y163-D165 VanDerWaalsContact O-N 3.14Å; Y163-L166 HydrophobicContact CD1-CB 4.15Å; Y163-L166 HydrophobicContact CE1-CB 4.2Å; Y163-L166 HydrophobicContact CE1-CD1 4.46Å; Y163-N170 WeakPolarHBondContact OH-CB 3.23Å; Y163-I181 HydrophobicContact CD2-CG2 4.4Å; Y163-I181 HydrophobicContact CE1-CG2 3.97Å; Y163-I181 HydrophobicContact CE2-CG2 3.64Å; Y163-I181 WeakPolarHBondContact OH-CG2 3.26Å; Y163-T182 PolarHBondContact OH-O 2.7Å; Y163-D183 VanDerWaalsContact CE2-O 3.26Å; Y163-D183 WeakPolarHBondContact CE2-O 3.48Å; Y163-D183 PolarHBondContact OH-O 3.21Å; Y163-F184 HydrophobicContact CD2-CD1 4.12Å; Y163-F184 HydrophobicContact CD2-CE1 4.05Å; Y163-F184 HydrophobicContact CD2-CZ 4.47Å; Y163-F184 HydrophobicContact CE2-CD1 4.25Å; Y163-F184 HydrophobicContact CE2-CD2 4.34Å; Y163-F184 HydrophobicContact CE2-CE1 4.26Å; Y163-F184 HydrophobicContact CE2-CE2 4.36Å; Y163-F184 HydrophobicContact CE2-CG 4.31Å; Y163-F184 HydrophobicContact CE2-CZ 4.32Å; Y163-F186 CarbonylContact O-C 3.58Å; Y163-A187 PolarHBondContact O-N 3.45Å; Y163-D219 PolarHBondContact N-OD1 3.19Å; Y163-D219 PolarHBondContact N-OD2 2.73Å
164R98.3Very high97.9Very high16 Ų1614 Ų146%0.067%0.07CC..  trans66.7-0.8170-51.5-170.2-67.6166.24.8118.3I162 F186 C198 Y214 V218 D219I162-R164 HydrophobicContact CB-CG 4.05Å; I162-R164 HydrophobicContact CG2-CG 3.44Å; I162-R164 VanDerWaalsContact CG2-CG 3.44Å; R164-F186 HydrophobicContact CB-CB 4.26Å; R164-F186 PolarHBondContact NE-O 3.24Å; R164-F186 PolarHBondContact NH2-O 3.07Å; R164-C198 PolarHBondContact NH1-SG 3.23Å; R164-Y214 WeakPolarHBondContact CD-OH 3.43Å; R164-Y214 HydrophobicContact CG-CE2 4.48Å; R164-Y214 PolarHBondContact NH1-OH 3.23Å; R164-V218 HydrophobicContact CG-CG2 4.39Å; R164-D219 PolarHBondContact N-OD1 3.25Å
165D97.6Very high97.7Very high6 Ų616.1 Ų16.13%0.0329%0.088CC..  trans-139.344.1176-153.133000113.4Y163 K167 N170 F186 G199 T200Y163-D165 VanDerWaalsContact C-N 3.26Å; Y163-D165 WeakPolarHBondContact CE1-O 3.34Å; Y163-D165 PolarHBondContact O-N 3.49Å; Y163-D165 VanDerWaalsContact O-N 3.14Å; D165-K167 PolarHBondContact O-N 3.39Å; D165-K167 IonicContact OD1-NZ 3.58Å; D165-K167 PolarHBondContact OD1-NZ 2.8Å; D165-K167 IonicContact OD2-NZ 3.48Å; D165-K167 PolarHBondContact OD2-NZ 3.04Å; D165-N170 PolarHBondContact O-ND2 2.6Å; D165-N170 PolarHBondContact OD2-ND2 3.24Å; D165-F186 HydrophobicContact CB-CB 4.44Å; D165-F186 HydrophobicContact CB-CD2 3.82Å; D165-G199 WeakPolarHBondContact OD1-CA 3.47Å; D165-T200 PolarHBondContact OD1-N 2.76Å; D165-T200 PolarHBondContact OD1-OG1 2.89Å
166L98.7Very high97.6Very high1 Ų119.3 Ų19.31%0.00511%0.108CC..  trans-68.3123.2173.1-17473.7000110I149 F153 Y163 L171 Y203 A222 L223 L226I149-L166 HydrophobicContact CD1-CD1 4.2Å; I149-L166 HydrophobicContact CG2-CD1 4.01Å; I149-L166 HydrophobicContact CG2-CD2 3.98Å; F153-L166 HydrophobicContact CE2-CD2 3.93Å; F153-L166 HydrophobicContact CZ-CB 4.07Å; F153-L166 HydrophobicContact CZ-CD1 4.08Å; F153-L166 HydrophobicContact CZ-CD2 3.8Å; F153-L166 HydrophobicContact CZ-CG 4.21Å; Y163-L166 HydrophobicContact CD1-CB 4.15Å; Y163-L166 HydrophobicContact CE1-CB 4.2Å; Y163-L166 HydrophobicContact CE1-CD1 4.46Å; L166-L171 HydrophobicContact CD1-CD1 4.29Å; L166-L171 HydrophobicContact CD1-CD2 4.02Å; L166-L171 HydrophobicContact CD1-CG 4.46Å; L166-Y203 WeakPolarHBondContact O-CD1 3.41Å; L166-Y203 WeakPolarHBondContact O-CE1 3.31Å; L166-A222 HydrophobicContact CB-CB 3.95Å; L166-A222 HydrophobicContact CD2-CB 4.18Å; L166-L223 HydrophobicContact CD2-CB 4.41Å; L166-L226 HydrophobicContact CD1-CD2 4.13Å; L166-L226 HydrophobicContact CD2-CB 4.04Å; L166-L226 HydrophobicContact CD2-CD2 3.84Å; L166-L226 HydrophobicContact CG-CD2 4.1Å
167K97.8Very high97.5Very high31 Ų3119.3 Ų19.314%0.13511%0.108CC..SBendtrans-165.1158.1174.263.1-168.8-177.2-147.70109.8D165 E169 N170 L171 T200 Y203D165-K167 PolarHBondContact O-N 3.39Å; D165-K167 IonicContact OD1-NZ 3.58Å; D165-K167 PolarHBondContact OD1-NZ 2.8Å; D165-K167 IonicContact OD2-NZ 3.48Å; D165-K167 PolarHBondContact OD2-NZ 3.04Å; K167-E169 VanDerWaalsContact CB-OE2 3.28Å; K167-E169 WeakPolarHBondContact CB-OE2 3.34Å; K167-E169 HydrophobicContact CD-CB 4.39Å; K167-E169 HydrophobicContact CG-CB 4.16Å; K167-E169 VanDerWaalsContact CG-OE2 3.25Å; K167-E169 WeakPolarHBondContact CG-OE2 3.37Å; K167-E169 PolarHBondContact O-N 2.93Å; K167-E169 VanDerWaalsContact O-N 3.14Å; K167-N170 WeakPolarHBondContact CE-ND2 3.49Å; K167-N170 WeakPolarHBondContact CE-OD1 2.96Å; K167-N170 HydrophobicContact CG-CB 4.14Å; K167-N170 PolarHBondContact O-N 3.29Å; K167-L171 WeakPolarHBondContact O-CG 3.26Å; K167-T200 HydrophobicContact CD-CG2 4.21Å; K167-T200 WeakPolarHBondContact CD-OG1 3.48Å; K167-T200 PolarHBondContact NZ-OG1 3.4Å; K167-Y203 HydrophobicContact CB-CD2 4.08Å; K167-Y203 HydrophobicContact CB-CE2 3.98Å; K167-Y203 HydrophobicContact CB-CG 4.48Å
168P97.5Very high97.5Very high0 Ų018.8 Ų18.80%011%0.105CC..G310 helixtrans-57.7-27.4-177.2-25.434.8000114.3M127 F128 L131 N170 L171 Y203 L226M127-P168 HydrophobicContact CB-CB 4.46Å; M127-P168 HydrophobicContact CG-CB 4.28Å; F128-P168 HydrophobicContact CB-CB 3.87Å; F128-P168 HydrophobicContact CD2-CB 4.2Å; F128-P168 PolarHBondContact N-O 3Å; L131-P168 HydrophobicContact CD2-CG 4.48Å; P168-N170 VanDerWaalsContact C-N 3.32Å; P168-L171 PolarHBondContact O-N 3.09Å; P168-Y203 VanDerWaalsContact CD-OH 3.25Å; P168-Y203 WeakPolarHBondContact CD-OH 3.46Å; P168-L226 HydrophobicContact CG-CD1 3.88Å
169E95.3Very high97.6Very high64 Ų6417.8 Ų17.830%0.29910%0.098SC..G310 helixtrans-67.8-31.8177.5-59.188.5154.700111.8F128 K167 L171F128-E169 HydrophobicContact CB-CG 4.02Å; F128-E169 HydrophobicContact CD2-CG 3.89Å; F128-E169 WeakPolarHBondContact CD2-OE1 3.37Å; F128-E169 HydrophobicContact CG-CG 3.93Å; K167-E169 VanDerWaalsContact CB-OE2 3.28Å; K167-E169 WeakPolarHBondContact CB-OE2 3.34Å; K167-E169 HydrophobicContact CD-CB 4.39Å; K167-E169 HydrophobicContact CG-CB 4.16Å; K167-E169 VanDerWaalsContact CG-OE2 3.25Å; K167-E169 WeakPolarHBondContact CG-OE2 3.37Å; K167-E169 PolarHBondContact O-N 2.93Å; K167-E169 VanDerWaalsContact O-N 3.14Å; E169-L171 VanDerWaalsContact C-N 3.3Å; E169-L171 PolarHBondContact O-N 2.83Å
170N97.3Very high97.6Very high11 Ų1118.2 Ų18.26%0.05910%0.1CC..G310 helixtrans-90.69178.6-70.5-8.2000113.1Y163 D165 K167 P168 T182Y163-N170 WeakPolarHBondContact OH-CB 3.23Å; D165-N170 PolarHBondContact O-ND2 2.6Å; D165-N170 PolarHBondContact OD2-ND2 3.24Å; K167-N170 WeakPolarHBondContact CE-ND2 3.49Å; K167-N170 WeakPolarHBondContact CE-OD1 2.96Å; K167-N170 HydrophobicContact CG-CB 4.14Å; K167-N170 PolarHBondContact O-N 3.29Å; P168-N170 VanDerWaalsContact C-N 3.32Å; N170-T182 WeakPolarHBondContact O-CG2 3.43Å; N170-T182 PolarHBondContact O-N 3.07Å
171L98.3Very high97.6Very high0 Ų015.8 Ų15.80%09%0.087CC..EExtended strand (participates in β ladder)trans-115.4110.5178.6-60.5-179.7000109.4M127 I149 L166 K167 P168 E169 I181 L226M127-L171 HydrophobicContact CB-CB 3.99Å; M127-L171 WeakPolarHBondContact CB-O 3.44Å; M127-L171 HydrophobicContact CE-CD1 4.17Å; M127-L171 PolarHBondContact N-O 2.85Å; M127-L171 HydrophobicContact SD-CB 4.46Å; M127-L171 HydrophobicContact SD-CD1 3.81Å; I149-L171 HydrophobicContact CD1-CD1 4.1Å; I149-L171 HydrophobicContact CD1-CD2 3.6Å; L166-L171 HydrophobicContact CD1-CD1 4.29Å; L166-L171 HydrophobicContact CD1-CD2 4.02Å; L166-L171 HydrophobicContact CD1-CG 4.46Å; K167-L171 WeakPolarHBondContact O-CG 3.26Å; P168-L171 PolarHBondContact O-N 3.09Å; E169-L171 VanDerWaalsContact C-N 3.3Å; E169-L171 PolarHBondContact O-N 2.83Å; L171-I181 HydrophobicContact CD2-CB 4.32Å; L171-I181 HydrophobicContact CD2-CD1 4.45Å; L171-I181 HydrophobicContact CD2-CG1 3.69Å; L171-I181 HydrophobicContact CD2-CG2 4.44Å; L171-L226 HydrophobicContact CD1-CD1 4.01Å; L171-L226 HydrophobicContact CD1-CD2 3.63Å; L171-L226 HydrophobicContact CD1-CG 4.48Å
172L97.6Very high97.5Very high21 Ų2117.2 Ų17.211%0.1110%0.096CC..EExtended strand (participates in β ladder)trans-93149.4174.5-56.4177.9000110.4I122 G125 E126 L179 K180 T182I122-L172 HydrophobicContact CB-CB 3.92Å; I122-L172 HydrophobicContact CB-CD1 3.86Å; I122-L172 HydrophobicContact CG1-CB 4.45Å; I122-L172 HydrophobicContact CG1-CD1 4.13Å; I122-L172 HydrophobicContact CG2-CB 3.55Å; I122-L172 HydrophobicContact CG2-CD1 4.45Å; G125-L172 CarbonylContact O-C 3.6Å; G125-L172 WeakPolarHBondContact O-CA 3.24Å; E126-L172 HydrophobicContact CB-CD2 4.46Å; E126-L172 HydrophobicContact CG-CD2 3.79Å; L172-L179 CarbonylContact O-C 3.57Å; L172-L179 VanDerWaalsContact O-CA 3.31Å; L172-L179 WeakPolarHBondContact O-CA 3.28Å; L172-K180 HydrophobicContact CB-CB 4.4Å; L172-K180 PolarHBondContact N-O 3.09Å; L172-K180 PolarHBondContact O-N 2.7Å; L172-T182 HydrophobicContact CD1-CG2 4.08Å; L172-T182 HydrophobicContact CG-CG2 4Å
173I97.6Very high97.3Very high0 Ų019.6 Ų19.60%011%0.109CC..EExtended strand (participates in β ladder)trans-104.1125.6173.6-55.3-174.5000108.4I122 G124 G125 Y178 L179 F313 P315I122-I173 VanDerWaalsContact CG2-O 3.28Å; I122-I173 WeakPolarHBondContact CG2-O 3.26Å; G124-I173 CarbonylContact C-O 3.51Å; G124-I173 WeakPolarHBondContact CA-O 3.39Å; G124-I173 PolarHBondContact N-O 3.39Å; G125-I173 PolarHBondContact O-N 3.31Å; I173-Y178 CarbonylContact C-O 3.56Å; I173-Y178 WeakPolarHBondContact CA-O 3.44Å; I173-L179 HydrophobicContact CG1-CD2 4.08Å; I173-F313 HydrophobicContact CD1-CD1 4.04Å; I173-F313 HydrophobicContact CD1-CE1 4.13Å; I173-F313 HydrophobicContact CG2-CD1 4.49Å; I173-P315 HydrophobicContact CG2-CG 4.07Å
174D96.2Very high97.3Very high15 Ų1519.6 Ų19.68%0.0811%0.109CC..  trans-78.9172.3175.573.924000112.4I122 T176 G177 Y178 K307 P315I122-D174 HydrophobicContact CG2-CB 4.02Å; D174-T176 VanDerWaalsContact CG-OG1 3.31Å; D174-T176 PolarHBondContact O-N 2.94Å; D174-T176 VanDerWaalsContact O-N 3.07Å; D174-T176 VanDerWaalsContact OD1-CA 3.26Å; D174-T176 WeakPolarHBondContact OD1-CA 3.46Å; D174-T176 WeakPolarHBondContact OD1-CB 3.17Å; D174-T176 PolarHBondContact OD1-N 3.28Å; D174-T176 PolarHBondContact OD1-OG1 2.82Å; D174-T176 PolarHBondContact OD2-OG1 3.45Å; D174-G177 PolarHBondContact O-N 2.93Å; D174-G177 PolarHBondContact OD1-N 3.24Å; D174-G177 VanDerWaalsContact OD1-N 3.09Å; D174-Y178 PolarHBondContact N-O 2.83Å; D174-Y178 PolarHBondContact OD1-N 3.47Å; D174-K307 IonicContact OD2-NZ 2.81Å; D174-K307 PolarHBondContact OD2-NZ 3.25Å; D174-P315 WeakPolarHBondContact O-CD 3.29Å; D174-P315 VanDerWaalsContact O-CG 3.26Å; D174-P315 WeakPolarHBondContact O-CG 3.35Å
175S95Very high97.1Very high73 Ų7319.3 Ų19.351%0.5111%0.111SC..THydrogen-bonded Turntrans-64.1-13.1-179.859.10000114
176T95.9Very high97Very high70 Ų7021.9 Ų21.943%0.42912%0.122SC..THydrogen-bonded Turntrans-96.12.8174.5690000112.6D174 Y178 A311 L314D174-T176 VanDerWaalsContact CG-OG1 3.31Å; D174-T176 PolarHBondContact O-N 2.94Å; D174-T176 VanDerWaalsContact O-N 3.07Å; D174-T176 VanDerWaalsContact OD1-CA 3.26Å; D174-T176 WeakPolarHBondContact OD1-CA 3.46Å; D174-T176 WeakPolarHBondContact OD1-CB 3.17Å; D174-T176 PolarHBondContact OD1-N 3.28Å; D174-T176 PolarHBondContact OD1-OG1 2.82Å; D174-T176 PolarHBondContact OD2-OG1 3.45Å; T176-Y178 VanDerWaalsContact C-N 3.32Å; T176-A311 WeakPolarHBondContact O-CB 2.81Å; T176-L314 WeakPolarHBondContact O-CD2 3.41Å
177G97.4Very high96.9Very high0 Ų022 Ų220%012%0.122CC..SBendtrans825.5179.400000114.6Y145 D174 F313Y145-G177 WeakPolarHBondContact CE1-O 3.31Å; D174-G177 PolarHBondContact O-N 2.93Å; D174-G177 PolarHBondContact OD1-N 3.24Å; D174-G177 VanDerWaalsContact OD1-N 3.09Å; G177-F313 VanDerWaalsContact CA-O 3.24Å; G177-F313 WeakPolarHBondContact CA-O 3.34Å
178Y98.5Very high96.8Very high5 Ų523 Ų232%0.0213%0.127CC..  trans-89.4158.3177.8-83.3-96000111.7F101 F144 Q148 I173 D174 T176 K307 I309F101-Y178 HydrophobicContact CD1-CD1 4.3Å; F101-Y178 AromaticContact CE1-CD1 3.62Å; F101-Y178 HydrophobicContact CE1-CD1 3.62Å; F101-Y178 HydrophobicContact CE1-CE1 4.12Å; F101-Y178 HydrophobicContact CZ-CD1 4.42Å; F144-Y178 AromaticContact CE2-CE1 3.85Å; F144-Y178 HydrophobicContact CE2-CE1 3.85Å; F144-Y178 HydrophobicContact CE2-CE2 4.33Å; F144-Y178 AromaticContact CE2-CZ 3.74Å; F144-Y178 AromaticContact CZ-CD1 3.89Å; F144-Y178 HydrophobicContact CZ-CD1 3.89Å; F144-Y178 HydrophobicContact CZ-CD2 4.1Å; F144-Y178 AromaticContact CZ-CE1 3.65Å; F144-Y178 HydrophobicContact CZ-CE1 3.65Å; F144-Y178 AromaticContact CZ-CE2 3.88Å; F144-Y178 HydrophobicContact CZ-CE2 3.88Å; F144-Y178 HydrophobicContact CZ-CG 4.11Å; F144-Y178 AromaticContact CZ-CZ 3.63Å; Q148-Y178 HydrophobicContact CG-CD1 4.3Å; Q148-Y178 VanDerWaalsContact OE1-CD1 3.26Å; I173-Y178 CarbonylContact C-O 3.56Å; I173-Y178 WeakPolarHBondContact CA-O 3.44Å; D174-Y178 PolarHBondContact N-O 2.83Å; D174-Y178 PolarHBondContact OD1-N 3.47Å; T176-Y178 VanDerWaalsContact C-N 3.32Å; Y178-K307 HydrophobicContact CD1-CB 4.49Å; Y178-K307 HydrophobicContact CD1-CD 4.22Å; Y178-K307 HydrophobicContact CD1-CG 3.84Å; Y178-K307 HydrophobicContact CD2-CB 4.27Å; Y178-K307 HydrophobicContact CD2-CD 4.14Å; Y178-K307 HydrophobicContact CD2-CG 4.21Å; Y178-K307 HydrophobicContact CE1-CB 4.13Å; Y178-K307 HydrophobicContact CE1-CG 3.86Å; Y178-K307 HydrophobicContact CE2-CB 3.88Å; Y178-K307 HydrophobicContact CE2-CG 4.22Å; Y178-K307 HydrophobicContact CG-CD 3.94Å; Y178-K307 HydrophobicContact CG-CG 4.02Å; Y178-K307 VanDerWaalsContact CZ-CA 3.45Å; Y178-K307 VanDerWaalsContact OH-C 3.27Å; Y178-K307 VanDerWaalsContact OH-CA 3.26Å; Y178-K307 WeakPolarHBondContact OH-CA 3.32Å; Y178-I309 PolarHBondContact OH-N 2.62Å; Y178-I309 VanDerWaalsContact OH-N 3.09Å; Y178-I309 PolarHBondContact OH-O 3.49Å
179L98.5Very high96.8Very high0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans-82.1149.7-179.7-60.1-178.9000112.8F101 M127 Y145 Q148 I149 L172 I173F101-L179 WeakPolarHBondContact CA-O 3.35Å; M127-L179 HydrophobicContact CE-CD1 3.93Å; M127-L179 HydrophobicContact CE-CD2 3.4Å; M127-L179 HydrophobicContact CE-CG 4.29Å; Y145-L179 HydrophobicContact CD1-CD1 3.85Å; Y145-L179 HydrophobicContact CD1-CD2 3.58Å; Y145-L179 HydrophobicContact CD1-CG 3.6Å; Y145-L179 HydrophobicContact CE1-CD2 3.83Å; Y145-L179 HydrophobicContact CE1-CG 4.2Å; Y145-L179 HydrophobicContact CG-CD1 4.24Å; Y145-L179 HydrophobicContact CG-CD2 4.36Å; Y145-L179 HydrophobicContact CG-CG 4.44Å; Q148-L179 HydrophobicContact CB-CD1 4.31Å; I149-L179 HydrophobicContact CD1-CD1 3.78Å; I149-L179 HydrophobicContact CG1-CD1 4.13Å; L172-L179 CarbonylContact O-C 3.57Å; L172-L179 VanDerWaalsContact O-CA 3.31Å; L172-L179 WeakPolarHBondContact O-CA 3.28Å; I173-L179 HydrophobicContact CG1-CD2 4.08Å
180K98.5Very high96.8Very high12 Ų1225.1 Ų25.15%0.05214%0.135CC..EExtended strand (participates in β ladder)trans-131.8109.4165.2-74.4-79.4-176.8168.20108.3P100 F101 L102 E120 I122 L172 T182P100-K180 VanDerWaalsContact O-CE 3.25Å; P100-K180 WeakPolarHBondContact O-CE 3.26Å; P100-K180 PolarHBondContact O-NZ 3.07Å; F101-K180 CarbonylContact O-C 3.58Å; F101-K180 WeakPolarHBondContact O-CA 3.5Å; L102-K180 WeakPolarHBondContact O-CD 3.37Å; L102-K180 PolarHBondContact O-NZ 3.28Å; E120-K180 WeakPolarHBondContact OE1-CE 3.04Å; E120-K180 IonicContact OE1-NZ 3.72Å; E120-K180 PolarHBondContact OE1-NZ 2.98Å; E120-K180 IonicContact OE2-NZ 3.81Å; E120-K180 PolarHBondContact OE2-NZ 3.47Å; I122-K180 HydrophobicContact CD1-CB 4.14Å; I122-K180 HydrophobicContact CD1-CD 4.16Å; I122-K180 HydrophobicContact CD1-CG 3.64Å; I122-K180 HydrophobicContact CG1-CB 3.86Å; I122-K180 HydrophobicContact CG1-CG 3.95Å; I122-K180 HydrophobicContact CG2-CB 4.28Å; I122-K180 HydrophobicContact CG2-CG 4.39Å; L172-K180 HydrophobicContact CB-CB 4.4Å; L172-K180 PolarHBondContact N-O 3.09Å; L172-K180 PolarHBondContact O-N 2.7Å; K180-T182 PolarHBondContact O-N 2.89Å
181I98.7Very high96.5Very high0 Ų033.2 Ų33.20%017%0.17CC..EExtended strand (participates in β ladder)trans-70126.6171.9-53.5-175.6000107.8F101 L102 V103 I149 A152 Y163 L171 F184F101-I181 WeakPolarHBondContact O-CG1 3.39Å; F101-I181 PolarHBondContact O-N 2.92Å; L102-I181 HydrophobicContact CD2-CB 3.73Å; L102-I181 HydrophobicContact CD2-CD1 3.74Å; L102-I181 HydrophobicContact CD2-CG1 3.96Å; L102-I181 HydrophobicContact CD2-CG2 4.45Å; V103-I181 WeakPolarHBondContact CB-O 3.47Å; V103-I181 WeakPolarHBondContact CG1-O 3.44Å; V103-I181 PolarHBondContact N-O 2.81Å; I149-I181 HydrophobicContact CD1-CD1 3.78Å; I149-I181 HydrophobicContact CD1-CG1 4Å; A152-I181 HydrophobicContact CB-CD1 3.57Å; Y163-I181 HydrophobicContact CD2-CG2 4.4Å; Y163-I181 HydrophobicContact CE1-CG2 3.97Å; Y163-I181 HydrophobicContact CE2-CG2 3.64Å; Y163-I181 WeakPolarHBondContact OH-CG2 3.26Å; L171-I181 HydrophobicContact CD2-CB 4.32Å; L171-I181 HydrophobicContact CD2-CD1 4.45Å; L171-I181 HydrophobicContact CD2-CG1 3.69Å; L171-I181 HydrophobicContact CD2-CG2 4.44Å; I181-F184 HydrophobicContact CG2-CE2 4.44Å
182T96.8Very high96.3Very high33 Ų3335.3 Ų35.320%0.20219%0.191CC..  trans-116.1-176175.9-1690000110.5Y163 N170 L172 K180Y163-T182 PolarHBondContact OH-O 2.7Å; N170-T182 WeakPolarHBondContact O-CG2 3.43Å; N170-T182 PolarHBondContact O-N 3.07Å; L172-T182 HydrophobicContact CD1-CG2 4.08Å; L172-T182 HydrophobicContact CG-CG2 4Å; K180-T182 PolarHBondContact O-N 2.89Å
183D94Very high96.2Very high53 Ų5342.1 Ų42.128%0.28322%0.215SC..  trans5292.7177.8-160.3-8.4000115.1K71 Y163 G185K71-D183 IonicContact NZ-OD1 3.8Å; Y163-D183 VanDerWaalsContact CE2-O 3.26Å; Y163-D183 WeakPolarHBondContact CE2-O 3.48Å; Y163-D183 PolarHBondContact OH-O 3.21Å; D183-G185 PolarHBondContact OD1-N 3.28Å; D183-G185 VanDerWaalsContact OD1-N 3.11Å
184F96.8Very high96.2Very high1 Ų142.6 Ų42.60%0.00422%0.218CC..  trans-102.118.4178.2-76.9-106000111.7E90 I93 L94 I97 L102 V103 L156 Y163 I181 F186 A187E90-F184 HydrophobicContact CG-CB 4.03Å; E90-F184 PolarHBondContact OE1-N 3.22Å; I93-F184 HydrophobicContact CG2-CD1 3.66Å; I93-F184 HydrophobicContact CG2-CE1 4.21Å; I93-F184 HydrophobicContact CG2-CG 4.37Å; L94-F184 HydrophobicContact CD2-CB 4.4Å; L94-F184 HydrophobicContact CD2-CD2 3.57Å; L94-F184 HydrophobicContact CD2-CE2 4.04Å; L94-F184 HydrophobicContact CD2-CG 4.1Å; L94-F184 HydrophobicContact CG-CB 4.27Å; L94-F184 HydrophobicContact CG-CD2 4.35Å; L94-F184 HydrophobicContact CG-CG 4.45Å; I97-F184 HydrophobicContact CD1-CD1 4.22Å; I97-F184 HydrophobicContact CD1-CE1 3.61Å; I97-F184 HydrophobicContact CD1-CE2 4.02Å; I97-F184 HydrophobicContact CD1-CZ 3.48Å; I97-F184 VanDerWaalsContact CD1-CZ 3.48Å; L102-F184 HydrophobicContact CB-CZ 4.44Å; L102-F184 HydrophobicContact CD1-CZ 4.27Å; L102-F184 HydrophobicContact CD2-CZ 4.03Å; L102-F184 HydrophobicContact CG-CZ 4.46Å; V103-F184 HydrophobicContact CG1-CE2 4.48Å; L156-F184 HydrophobicContact CD1-CE1 4.19Å; L156-F184 HydrophobicContact CD2-CE1 4.05Å; Y163-F184 HydrophobicContact CD2-CD1 4.12Å; Y163-F184 HydrophobicContact CD2-CE1 4.05Å; Y163-F184 HydrophobicContact CD2-CZ 4.47Å; Y163-F184 HydrophobicContact CE2-CD1 4.25Å; Y163-F184 HydrophobicContact CE2-CD2 4.34Å; Y163-F184 HydrophobicContact CE2-CE1 4.26Å; Y163-F184 HydrophobicContact CE2-CE2 4.36Å; Y163-F184 HydrophobicContact CE2-CG 4.31Å; Y163-F184 HydrophobicContact CE2-CZ 4.32Å; I181-F184 HydrophobicContact CG2-CE2 4.44Å; F184-F186 PolarHBondContact O-N 3.04Å; F184-A187 HydrophobicContact CB-CB 3.96Å; F184-A187 HydrophobicContact CD1-CB 3.61Å; F184-A187 HydrophobicContact CG-CB 4.23Å; F184-A187 WeakPolarHBondContact O-CB 3.48Å; F184-A187 PolarHBondContact O-N 3.36Å
185G94.2Very high96.2Very high10 Ų1050 Ų5010%0.10325%0.245CC..THydrogen-bonded Turntrans-55.6-34.1-178.900000113.9E90 D183E90-G185 PolarHBondContact OE1-N 3.34Å; D183-G185 PolarHBondContact OD1-N 3.28Å; D183-G185 VanDerWaalsContact OD1-N 3.11Å
186F95.5Very high96.2Very high60 Ų6049.1 Ų49.126%0.26324%0.237SC..THydrogen-bonded Turntrans-101.4-0.1174.4-60.2-30.5000113.9Y163 R164 D165 F184 C198Y163-F186 CarbonylContact O-C 3.58Å; R164-F186 HydrophobicContact CB-CB 4.26Å; R164-F186 PolarHBondContact NE-O 3.24Å; R164-F186 PolarHBondContact NH2-O 3.07Å; D165-F186 HydrophobicContact CB-CB 4.44Å; D165-F186 HydrophobicContact CB-CD2 3.82Å; F184-F186 PolarHBondContact O-N 3.04Å; F186-C198 HydrophobicContact CD1-CB 4.12Å; F186-C198 HydrophobicContact CD2-CB 4.21Å; F186-C198 HydrophobicContact CE1-CB 4.3Å; F186-C198 HydrophobicContact CE2-CB 4.41Å; F186-C198 HydrophobicContact CG-CB 4.1Å; F186-C198 HydrophobicContact CZ-CB 4.46Å
187A97.6Very high96.1Very high2 Ų251.1 Ų51.12%0.01724%0.244CC..  trans-63.7147.4176.600000110.3N89 I93 I162 Y163 F184N89-A187 PolarHBondContact ND2-O 3.08Å; I93-A187 HydrophobicContact CD1-CB 3.59Å; I162-A187 CarbonylContact O-C 3.48Å; I162-A187 WeakPolarHBondContact O-CA 3.42Å; Y163-A187 PolarHBondContact O-N 3.45Å; F184-A187 HydrophobicContact CB-CB 3.96Å; F184-A187 HydrophobicContact CD1-CB 3.61Å; F184-A187 HydrophobicContact CG-CB 4.23Å; F184-A187 WeakPolarHBondContact O-CB 3.48Å; F184-A187 PolarHBondContact O-N 3.36Å
188K96.5Very high96Very high54 Ų5451.7 Ų51.724%0.23525%0.248CC..EExtended strand (participates in β ladder)trans-149.5137.5178.9-165.6176.8177147.60111.8L161 I162 V190L161-K188 WeakPolarHBondContact CA-O 3.4Å; I162-K188 PolarHBondContact N-O 3.49Å; I162-K188 PolarHBondContact O-N 3.43Å; K188-V190 HydrophobicContact CB-CG2 4.19Å; K188-V190 HydrophobicContact CD-CG2 3.7Å; K188-V190 HydrophobicContact CG-CG2 3.64Å; K188-V190 PolarHBondContact O-N 3.05Å
189R96.9Very high95.8Very high83 Ų8352.6 Ų52.631%0.31326%0.259SS..EExtended strand (participates in β ladder)trans-81.8110.4172.2-162.5176.4179.1-163.5-3.5110.7W29 L159 D160 L161W29-R189 HydrophobicContact CH2-CB 4.31Å; W29-R189 HydrophobicContact CZ2-CB 4.36Å; W29-R189 VanDerWaalsContact NE1-NH1 3.12Å; L159-R189 PolarHBondContact O-NE 3.2Å; D160-R189 HydrophobicContact CB-CG 4.15Å; D160-R189 CarbonylContact O-C 3.46Å; D160-R189 VanDerWaalsContact O-CA 3.25Å; D160-R189 WeakPolarHBondContact O-CA 3.3Å; L161-R189 HydrophobicContact CD2-CB 3.75Å; L161-R189 HydrophobicContact CD2-CG 4.17Å
190V95Very high95.6Very high25 Ų2553.8 Ų53.815%0.15227%0.266CS..  trans-145.7120.6-176.3-179.50000110.4D160 I162 K188D160-V190 PolarHBondContact O-N 2.94Å; I162-V190 HydrophobicContact CD1-CB 4.18Å; K188-V190 HydrophobicContact CB-CG2 4.19Å; K188-V190 HydrophobicContact CD-CG2 3.7Å; K188-V190 HydrophobicContact CG-CG2 3.64Å; K188-V190 PolarHBondContact O-N 3.05Å
191K91.2Very high95.6Very high181 Ų18154.9 Ų54.979%0.78727%0.274SS*.SBendtrans-75.9-29.9173-71.4-176.6176.6-176.80113.7D160D160-K191 HydrophobicContact CB-CG 4.22Å; D160-K191 WeakPolarHBondContact OD2-CE 3.16Å; D160-K191 WeakPolarHBondContact OD2-CG 3.26Å
192G94.2Very high95.5Very high44 Ų4457.6 Ų57.645%0.45429%0.287SS..SBendtrans-113.4-118.3-173.800000112.8
193R95.8Very high95.6Very high164 Ų16456.8 Ų56.862%0.61928%0.28SS*.  trans-111.9155.7180-68.6179.7177.8-174.51.1112W195 G213 Y214R193-W195 HydrophobicContact CB-CH2 3.83Å; R193-W195 HydrophobicContact CB-CZ2 4.22Å; R193-W195 HydrophobicContact CB-CZ3 4.16Å; R193-W195 VanDerWaalsContact O-CZ3 3.3Å; R193-W195 WeakPolarHBondContact O-CZ3 3.46Å; R193-G213 WeakPolarHBondContact CD-O 3.25Å; R193-Y214 CarbonylContact C-O 3.49Å; R193-Y214 WeakPolarHBondContact CA-O 3.39Å
194T96.4Very high95.8Very high9 Ų954.5 Ų54.56%0.05527%0.268CS..BIsolated β-bridgetrans-134.3169.2167.6-161.20000110.2G213 Y214T194-G213 CarbonylContact O-C 3.41Å; T194-G213 WeakPolarHBondContact O-CA 3.34Å; T194-Y214 HydrophobicContact CG2-CD2 3.92Å; T194-Y214 HydrophobicContact CG2-CE1 4.03Å; T194-Y214 HydrophobicContact CG2-CE2 3.28Å; T194-Y214 PolarHBondContact N-O 3.04Å; T194-Y214 VanDerWaalsContact O-CD1 3.25Å; T194-Y214 WeakPolarHBondContact O-CD1 3.47Å; T194-Y214 PolarHBondContact O-N 3.29Å
195W97Very high95.9Very high170 Ų17054.5 Ų54.564%0.64427%0.269SS*.  trans-132.1-6.8-169-71.9-99.8000114.4R193 L197R193-W195 HydrophobicContact CB-CH2 3.83Å; R193-W195 HydrophobicContact CB-CZ2 4.22Å; R193-W195 HydrophobicContact CB-CZ3 4.16Å; R193-W195 VanDerWaalsContact O-CZ3 3.3Å; R193-W195 WeakPolarHBondContact O-CZ3 3.46Å; W195-L197 PolarHBondContact O-N 2.73Å
196T94Very high96.1Very high55 Ų5554.1 Ų54.134%0.33726%0.264SS..  trans-62.4122.9-176.3-490000110.7C198 Y214T196-C198 HydrophobicContact CG2-CB 4.29Å; T196-C198 PolarHBondContact O-N 3.5Å; T196-Y214 WeakPolarHBondContact O-CE1 3.48Å; T196-Y214 PolarHBondContact O-OH 3.11Å
197L94.8Very high96.2Very high112 Ų11251.5 Ų51.559%0.58625%0.253SS*.  trans-72.8106.1168.4178.663.5000108.5W195 L204 I208W195-L197 PolarHBondContact O-N 2.73Å; L197-L204 HydrophobicContact CD1-CD1 4.23Å; L197-I208 HydrophobicContact CD1-CG2 3.62Å
198C94.4Very high96.2Very high13 Ų1351.9 Ų51.99%0.08825%0.254CS..  trans-154.5162.1-179.559.20000109.9R164 F186 T196 L204R164-C198 PolarHBondContact NH1-SG 3.23Å; F186-C198 HydrophobicContact CD1-CB 4.12Å; F186-C198 HydrophobicContact CD2-CB 4.21Å; F186-C198 HydrophobicContact CE1-CB 4.3Å; F186-C198 HydrophobicContact CE2-CB 4.41Å; F186-C198 HydrophobicContact CG-CB 4.1Å; F186-C198 HydrophobicContact CZ-CB 4.46Å; T196-C198 HydrophobicContact CG2-CB 4.29Å; T196-C198 PolarHBondContact O-N 3.5Å; C198-L204 WeakPolarHBondContact O-CD2 3.28Å
199G94.5Very high96.3Very high23 Ų2350.9 Ų50.924%0.23725%0.251CS..SBendtrans110.2-177-173.800000112.4D165D165-G199 WeakPolarHBondContact OD1-CA 3.47Å
200T95.4Very high96.2Very high26 Ų2650.7 Ų50.716%0.1626%0.256CS..  trans-98.6135.1-176.9-57.80000110.6D165 K167 E202 Y203 L204D165-T200 PolarHBondContact OD1-N 2.76Å; D165-T200 PolarHBondContact OD1-OG1 2.89Å; K167-T200 HydrophobicContact CD-CG2 4.21Å; K167-T200 WeakPolarHBondContact CD-OG1 3.48Å; K167-T200 PolarHBondContact NZ-OG1 3.4Å; T200-E202 VanDerWaalsContact C-N 3.35Å; T200-E202 PolarHBondContact O-N 3.44Å; T200-E202 VanDerWaalsContact O-N 3.15Å; T200-Y203 PolarHBondContact O-N 2.68Å; T200-L204 PolarHBondContact O-N 2.82Å
201P97.4Very high96.2Very high34 Ų3453.8 Ų53.822%0.22128%0.279CS..G310 helixtrans-48.9-45.2-166.8-32.237.3000116.1Y203 L204 P242 I245 Y246 I249P201-Y203 PolarHBondContact O-N 3.42Å; P201-L204 PolarHBondContact O-N 3Å; P201-P242 HydrophobicContact CB-CB 4.43Å; P201-P242 HydrophobicContact CG-CB 4.42Å; P201-I245 HydrophobicContact CB-CD1 4.27Å; P201-Y246 HydrophobicContact CB-CE1 3.86Å; P201-I249 WeakPolarHBondContact O-CD1 3.36Å
202E97.9Very high96.4Very high58 Ų5851 Ų5127%0.27127%0.267SS..G310 helixtrans-66-24.3-178.1-65.883171.800113T200 V225 P235 I245T200-E202 VanDerWaalsContact C-N 3.35Å; T200-E202 PolarHBondContact O-N 3.44Å; T200-E202 VanDerWaalsContact O-N 3.15Å; E202-V225 WeakPolarHBondContact O-CG1 3.39Å; E202-P235 HydrophobicContact CB-CB 4.32Å; E202-P235 HydrophobicContact CG-CB 4.47Å; E202-P235 HydrophobicContact CG-CG 4.16Å; E202-I245 HydrophobicContact CG-CD1 4.23Å
203Y98.5Very high96.4Very high15 Ų1549.4 Ų49.46%0.05925%0.25CS..G310 helixtrans-102.5-8.1-174.5-76.6-94.5000113.4L166 K167 P168 T200 P201 A205 A222 V225 L226 E229L166-Y203 WeakPolarHBondContact O-CD1 3.41Å; L166-Y203 WeakPolarHBondContact O-CE1 3.31Å; K167-Y203 HydrophobicContact CB-CD2 4.08Å; K167-Y203 HydrophobicContact CB-CE2 3.98Å; K167-Y203 HydrophobicContact CB-CG 4.48Å; P168-Y203 VanDerWaalsContact CD-OH 3.25Å; P168-Y203 WeakPolarHBondContact CD-OH 3.46Å; T200-Y203 PolarHBondContact O-N 2.68Å; P201-Y203 PolarHBondContact O-N 3.42Å; Y203-A205 PolarHBondContact O-N 2.98Å; Y203-A222 HydrophobicContact CD1-CB 4.2Å; Y203-V225 HydrophobicContact CD1-CB 3.69Å; Y203-V225 HydrophobicContact CD1-CG1 3.57Å; Y203-V225 HydrophobicContact CD2-CG1 4.12Å; Y203-V225 HydrophobicContact CE1-CB 3.74Å; Y203-V225 HydrophobicContact CE1-CG1 3.48Å; Y203-V225 VanDerWaalsContact CE1-CG1 3.48Å; Y203-V225 HydrophobicContact CE2-CG1 4Å; Y203-V225 HydrophobicContact CG-CB 4.38Å; Y203-V225 HydrophobicContact CG-CG1 3.9Å; Y203-L226 HydrophobicContact CE1-CB 4.03Å; Y203-E229 PolarHBondContact OH-OE2 3.33Å
204L98.3Very high96.5Very high6 Ų641.7 Ų41.73%0.03122%0.221CC..  trans-62.9133.1-179.9-66.9-174.5000111.5L197 C198 T200 P201 I208 I209 W221 Y246L197-L204 HydrophobicContact CD1-CD1 4.23Å; C198-L204 WeakPolarHBondContact O-CD2 3.28Å; T200-L204 PolarHBondContact O-N 2.82Å; P201-L204 PolarHBondContact O-N 3Å; L204-I208 HydrophobicContact CD2-CD1 4.34Å; L204-I208 HydrophobicContact CD2-CG2 4.24Å; L204-I209 HydrophobicContact CB-CD1 4.02Å; L204-I209 HydrophobicContact CB-CG1 3.95Å; L204-I209 HydrophobicContact CD1-CG1 4.18Å; L204-W221 PolarHBondContact O-NE1 3.47Å; L204-W221 VanDerWaalsContact O-NE1 3.15Å; L204-Y246 HydrophobicContact CD1-CE1 3.75Å
205A98.3Very high96.5Very high1 Ų143.2 Ų43.21%0.00823%0.229CC..  trans-74.8150.1172.200000111Y203 E207 I208 I209 V218 W221Y203-A205 PolarHBondContact O-N 2.98Å; A205-E207 HydrophobicContact CB-CG 4.37Å; A205-E207 WeakPolarHBondContact CB-OE1 3.5Å; A205-E207 PolarHBondContact O-N 3.39Å; A205-E207 VanDerWaalsContact O-N 3.15Å; A205-I208 HydrophobicContact CB-CD1 4.45Å; A205-I208 HydrophobicContact CB-CG1 4.42Å; A205-I208 WeakPolarHBondContact O-CB 3.15Å; A205-I208 PolarHBondContact O-N 3.39Å; A205-I209 PolarHBondContact O-N 2.96Å; A205-V218 HydrophobicContact CB-CB 3.99Å; A205-V218 HydrophobicContact CB-CG1 3.86Å; A205-W221 HydrophobicContact CB-CB 3.96Å; A205-W221 HydrophobicContact CB-CD2 4.4Å; A205-W221 HydrophobicContact CB-CG 3.83Å
206P98.3Very high96.6Very high1 Ų139.5 Ų39.51%0.00622%0.217CC..Hα-helixtrans-54-38.1-178.3-25.531.6000113.6I208 I209 L210 W221 I249 V274P206-I208 VanDerWaalsContact C-N 3.32Å; P206-I208 PolarHBondContact O-N 3.49Å; P206-I209 PolarHBondContact O-N 3.22Å; P206-L210 WeakPolarHBondContact O-CB 3.47Å; P206-L210 VanDerWaalsContact O-CG 3.22Å; P206-L210 WeakPolarHBondContact O-CG 3.42Å; P206-L210 PolarHBondContact O-N 3.14Å; P206-W221 HydrophobicContact CG-CE3 4.17Å; P206-W221 HydrophobicContact CG-CH2 3.57Å; P206-W221 HydrophobicContact CG-CZ2 3.98Å; P206-W221 HydrophobicContact CG-CZ3 3.67Å; P206-I249 HydrophobicContact CB-CG2 4.26Å; P206-I249 HydrophobicContact CG-CG2 3.73Å; P206-V274 HydrophobicContact CB-CG1 4.05Å; P206-V274 HydrophobicContact CG-CB 4.38Å; P206-V274 HydrophobicContact CG-CG1 4.16Å; P206-V274 HydrophobicContact CG-CG2 4.06Å
207E98Very high96.8Very high6 Ų636.9 Ų36.93%0.02820%0.201CC..Hα-helixtrans-67.1-27.9179.461.5-86.6-160.500114.1A205 S211 K212 V218 L276 R279A205-E207 HydrophobicContact CB-CG 4.37Å; A205-E207 WeakPolarHBondContact CB-OE1 3.5Å; A205-E207 PolarHBondContact O-N 3.39Å; A205-E207 VanDerWaalsContact O-N 3.15Å; E207-S211 PolarHBondContact O-N 3.06Å; E207-K212 HydrophobicContact CB-CB 4.31Å; E207-K212 WeakPolarHBondContact O-CB 3.18Å; E207-K212 PolarHBondContact O-N 3.46Å; E207-V218 HydrophobicContact CG-CG1 4.12Å; E207-V218 WeakPolarHBondContact OE1-CG1 3.42Å; E207-L276 HydrophobicContact CB-CD1 4.28Å; E207-L276 HydrophobicContact CG-CD1 4.23Å; E207-L276 WeakPolarHBondContact OE1-CD2 3.39Å; E207-R279 IonicContact OE1-CZ 3.79Å; E207-R279 IonicContact OE1-NH1 2.88Å; E207-R279 PolarHBondContact OE1-NH1 2.84Å; E207-R279 IonicContact OE1-NH2 3.64Å; E207-R279 IonicContact OE2-CZ 2.88Å; E207-R279 IonicContact OE2-NH1 3.57Å; E207-R279 PolarHBondContact OE2-NH1 2.96Å; E207-R279 IonicContact OE2-NH2 2.83Å; E207-R279 PolarHBondContact OE2-NH2 2.82Å
208I97.8Very high96.9Very high9 Ų931.8 Ų31.85%0.04618%0.175CC..Hα-helixtrans-70.7-48.3173.5-59.9178.9000109.2L197 L204 A205 P206 L210 S211 Y214 V218L197-I208 HydrophobicContact CD1-CG2 3.62Å; L204-I208 HydrophobicContact CD2-CD1 4.34Å; L204-I208 HydrophobicContact CD2-CG2 4.24Å; A205-I208 HydrophobicContact CB-CD1 4.45Å; A205-I208 HydrophobicContact CB-CG1 4.42Å; A205-I208 WeakPolarHBondContact O-CB 3.15Å; A205-I208 PolarHBondContact O-N 3.39Å; P206-I208 VanDerWaalsContact C-N 3.32Å; P206-I208 PolarHBondContact O-N 3.49Å; I208-L210 VanDerWaalsContact C-N 3.31Å; I208-L210 PolarHBondContact O-N 3.18Å; I208-S211 PolarHBondContact O-N 2.9Å; I208-Y214 HydrophobicContact CD1-CE2 4.37Å; I208-Y214 HydrophobicContact CG1-CD1 3.77Å; I208-Y214 HydrophobicContact CG1-CD2 4.24Å; I208-Y214 HydrophobicContact CG1-CE1 3.94Å; I208-Y214 HydrophobicContact CG1-CE2 4.4Å; I208-Y214 HydrophobicContact CG1-CG 3.91Å; I208-Y214 HydrophobicContact CG2-CE1 4.42Å; I208-V218 HydrophobicContact CD1-CB 3.99Å; I208-V218 HydrophobicContact CD1-CG1 3.78Å; I208-V218 HydrophobicContact CD1-CG2 4.43Å; I208-V218 HydrophobicContact CG1-CG1 3.82Å
209I97.4Very high97.2Very high33 Ų3331.2 Ų31.217%0.16917%0.171CC..Hα-helixtrans-60.2-43.6179.8-65.6163.6000110.7L204 A205 P206 S211 Y246 I249 V250L204-I209 HydrophobicContact CB-CD1 4.02Å; L204-I209 HydrophobicContact CB-CG1 3.95Å; L204-I209 HydrophobicContact CD1-CG1 4.18Å; A205-I209 PolarHBondContact O-N 2.96Å; P206-I209 PolarHBondContact O-N 3.22Å; I209-S211 PolarHBondContact O-N 3.39Å; I209-S211 VanDerWaalsContact O-N 3.09Å; I209-Y246 HydrophobicContact CD1-CD1 3.81Å; I209-Y246 HydrophobicContact CD1-CG 4.2Å; I209-Y246 HydrophobicContact CG1-CD1 4.01Å; I209-Y246 HydrophobicContact CG1-CG 4.24Å; I209-Y246 HydrophobicContact CG2-CD2 4.47Å; I209-Y246 HydrophobicContact CG2-CG 4.07Å; I209-I249 HydrophobicContact CD1-CB 3.8Å; I209-I249 HydrophobicContact CD1-CD1 3.82Å; I209-I249 HydrophobicContact CD1-CG1 4.41Å; I209-I249 HydrophobicContact CD1-CG2 3.49Å; I209-I249 VanDerWaalsContact CD1-CG2 3.49Å; I209-V250 HydrophobicContact CB-CG2 4.31Å; I209-V250 HydrophobicContact CG2-CG2 3.84Å
210L96.4Very high97.4Very high79 Ų7930.3 Ų30.341%0.41416%0.16SC..THydrogen-bonded Turntrans-74.48.5177.7-66.1173.6000113.5P206 I208 K212 V250P206-L210 WeakPolarHBondContact O-CB 3.47Å; P206-L210 VanDerWaalsContact O-CG 3.22Å; P206-L210 WeakPolarHBondContact O-CG 3.42Å; P206-L210 PolarHBondContact O-N 3.14Å; I208-L210 VanDerWaalsContact C-N 3.31Å; I208-L210 PolarHBondContact O-N 3.18Å; L210-K212 HydrophobicContact CB-CD 4.28Å; L210-K212 HydrophobicContact CB-CG 4.14Å; L210-K212 PolarHBondContact O-N 2.93Å; L210-K212 VanDerWaalsContact O-N 3.11Å; L210-V250 HydrophobicContact CD1-CG1 4.32Å; L210-V250 HydrophobicContact CD2-CG1 4.09Å; L210-V250 HydrophobicContact CD2-CG2 4.16Å; L210-V250 HydrophobicContact CG-CG1 4.45Å; L210-V250 HydrophobicContact CG-CG2 4.11Å
211S94.6Very high97.5Very high91 Ų9129 Ų2964%0.63615%0.153SC*.THydrogen-bonded Turntrans53.632.5179.1-58.70000113.4E207 I208 I209E207-S211 PolarHBondContact O-N 3.06Å; I208-S211 PolarHBondContact O-N 2.9Å; I209-S211 PolarHBondContact O-N 3.39Å; I209-S211 VanDerWaalsContact O-N 3.09Å
212K95.3Very high97.6Very high122 Ų12227.7 Ų27.753%0.5314%0.144SC..  trans-87.6149.9175.3-64.3178.9-179.1175.60109.2E207 L210 Y214E207-K212 HydrophobicContact CB-CB 4.31Å; E207-K212 WeakPolarHBondContact O-CB 3.18Å; E207-K212 PolarHBondContact O-N 3.46Å; L210-K212 HydrophobicContact CB-CD 4.28Å; L210-K212 HydrophobicContact CB-CG 4.14Å; L210-K212 PolarHBondContact O-N 2.93Å; L210-K212 VanDerWaalsContact O-N 3.11Å; K212-Y214 PolarHBondContact O-N 3.46Å
213G94.9Very high97.6Very high10 Ų1025 Ų2510%0.10313%0.131CC..  trans-61.1122.1169.400000110R193 T194R193-G213 WeakPolarHBondContact CD-O 3.25Å; T194-G213 CarbonylContact O-C 3.41Å; T194-G213 WeakPolarHBondContact O-CA 3.34Å
214Y97.4Very high97.7Very high2 Ų224.2 Ų24.21%0.00813%0.129CC..BIsolated β-bridgetrans-118.3162.7-173.565.1-96.1000112R164 R193 T194 T196 I208 K212 V218R164-Y214 WeakPolarHBondContact CD-OH 3.43Å; R164-Y214 HydrophobicContact CG-CE2 4.48Å; R164-Y214 PolarHBondContact NH1-OH 3.23Å; R193-Y214 CarbonylContact C-O 3.49Å; R193-Y214 WeakPolarHBondContact CA-O 3.39Å; T194-Y214 HydrophobicContact CG2-CD2 3.92Å; T194-Y214 HydrophobicContact CG2-CE1 4.03Å; T194-Y214 HydrophobicContact CG2-CE2 3.28Å; T194-Y214 PolarHBondContact N-O 3.04Å; T194-Y214 VanDerWaalsContact O-CD1 3.25Å; T194-Y214 WeakPolarHBondContact O-CD1 3.47Å; T194-Y214 PolarHBondContact O-N 3.29Å; T196-Y214 WeakPolarHBondContact O-CE1 3.48Å; T196-Y214 PolarHBondContact O-OH 3.11Å; I208-Y214 HydrophobicContact CD1-CE2 4.37Å; I208-Y214 HydrophobicContact CG1-CD1 3.77Å; I208-Y214 HydrophobicContact CG1-CD2 4.24Å; I208-Y214 HydrophobicContact CG1-CE1 3.94Å; I208-Y214 HydrophobicContact CG1-CE2 4.4Å; I208-Y214 HydrophobicContact CG1-CG 3.91Å; I208-Y214 HydrophobicContact CG2-CE1 4.42Å; K212-Y214 PolarHBondContact O-N 3.46Å; Y214-V218 HydrophobicContact CD2-CG1 3.59Å; Y214-V218 HydrophobicContact CD2-CG2 4.12Å; Y214-V218 HydrophobicContact CE2-CG1 4.42Å; Y214-V218 HydrophobicContact CE2-CG2 4.36Å; Y214-V218 HydrophobicContact CG-CG1 3.93Å
215N96.6Very high97.7Very high42 Ų4224 Ų2423%0.22513%0.127CC..  trans-130.3-164.7-178.170.63.1000110.5A217 V218 N282N215-A217 PolarHBondContact O-N 2.9Å; N215-A217 WeakPolarHBondContact OD1-CB 3.39Å; N215-A217 PolarHBondContact OD1-N 3.42Å; N215-V218 WeakPolarHBondContact O-CG2 3.31Å; N215-V218 PolarHBondContact O-N 3.29Å; N215-N282 PolarHBondContact ND2-OD1 3.11Å
216K97.9Very high97.7Very high91 Ų9123.9 Ų23.940%0.39613%0.127SC..THydrogen-bonded Turntrans-54.6-14.3177.565.3-179.3172.4-174.60116.4H157 I162 V218 D219H157-K216 HydrophobicContact CB-CD 3.99Å; H157-K216 PolarHBondContact CE1-O 3.29Å; I162-K216 HydrophobicContact CG1-CB 4.29Å; K216-V218 PolarHBondContact O-N 2.75Å; K216-D219 PolarHBondContact O-N 2.96Å
217A98.3Very high97.8Very high0 Ų023.9 Ų23.90%013%0.126CC..Hα-helixtrans-65.7-16.8178.200000114.2N215 D219 W220 W221 L276 R279 N282N215-A217 PolarHBondContact O-N 2.9Å; N215-A217 WeakPolarHBondContact OD1-CB 3.39Å; N215-A217 PolarHBondContact OD1-N 3.42Å; A217-D219 VanDerWaalsContact C-N 3.32Å; A217-W220 PolarHBondContact O-N 3.36Å; A217-W221 PolarHBondContact O-N 3.2Å; A217-L276 HydrophobicContact CB-CD2 3.65Å; A217-R279 PolarHBondContact O-NH1 2.77Å; A217-N282 HydrophobicContact CB-CB 3.8Å
218V98.5Very high97.8Very high5 Ų523.9 Ų23.93%0.0313%0.126CC..Hα-helixtrans-66.3-35.4174.5-57.20000111.6I162 R164 A205 E207 I208 Y214 N215 K216 W220 W221 A222I162-V218 HydrophobicContact CG2-CG2 3.78Å; R164-V218 HydrophobicContact CG-CG2 4.39Å; A205-V218 HydrophobicContact CB-CB 3.99Å; A205-V218 HydrophobicContact CB-CG1 3.86Å; E207-V218 HydrophobicContact CG-CG1 4.12Å; E207-V218 WeakPolarHBondContact OE1-CG1 3.42Å; I208-V218 HydrophobicContact CD1-CB 3.99Å; I208-V218 HydrophobicContact CD1-CG1 3.78Å; I208-V218 HydrophobicContact CD1-CG2 4.43Å; I208-V218 HydrophobicContact CG1-CG1 3.82Å; Y214-V218 HydrophobicContact CD2-CG1 3.59Å; Y214-V218 HydrophobicContact CD2-CG2 4.12Å; Y214-V218 HydrophobicContact CE2-CG1 4.42Å; Y214-V218 HydrophobicContact CE2-CG2 4.36Å; Y214-V218 HydrophobicContact CG-CG1 3.93Å; N215-V218 WeakPolarHBondContact O-CG2 3.31Å; N215-V218 PolarHBondContact O-N 3.29Å; K216-V218 PolarHBondContact O-N 2.75Å; V218-W220 VanDerWaalsContact C-N 3.34Å; V218-W220 PolarHBondContact O-N 2.81Å; V218-W221 WeakPolarHBondContact O-CB 3.35Å; V218-W221 PolarHBondContact O-N 3Å; V218-A222 PolarHBondContact O-N 3.42Å
219D98.8Very high97.8Very high1 Ų123.8 Ų23.81%0.00513%0.126CC..Hα-helixtrans-67.3-37.6177.5-69.9-20.3000110.5F153 H157 I162 Y163 R164 K216 A217 A222 L223F153-D219 HydrophobicContact CD1-CB 4.5Å; F153-D219 HydrophobicContact CD2-CB 3.91Å; F153-D219 HydrophobicContact CE1-CB 4.26Å; F153-D219 HydrophobicContact CE2-CB 3.65Å; F153-D219 VanDerWaalsContact CE2-O 3.23Å; F153-D219 WeakPolarHBondContact CE2-O 3.41Å; F153-D219 HydrophobicContact CG-CB 4.33Å; F153-D219 HydrophobicContact CZ-CB 3.81Å; H157-D219 IonicContact CD2-OD2 2.68Å; H157-D219 IonicContact CE1-OD2 2.82Å; H157-D219 IonicContact NE2-OD2 2.73Å; H157-D219 PolarHBondContact NE2-OD2 3.39Å; I162-D219 WeakPolarHBondContact CG2-OD2 3.47Å; Y163-D219 PolarHBondContact N-OD1 3.19Å; Y163-D219 PolarHBondContact N-OD2 2.73Å; R164-D219 PolarHBondContact N-OD1 3.25Å; K216-D219 PolarHBondContact O-N 2.96Å; A217-D219 VanDerWaalsContact C-N 3.32Å; D219-A222 PolarHBondContact O-N 3.46Å; D219-L223 PolarHBondContact O-N 2.66Å
220W98.9Very high97.9Very high4 Ų422.2 Ų22.22%0.01512%0.118CC..Hα-helixtrans-68.9-32.8175.8-61.5125.2000113.2V150 F153 H157 A217 V218 L223 G224 L271 G281 V287 I290V150-W220 HydrophobicContact CG2-CZ3 4.31Å; F153-W220 HydrophobicContact CB-CH2 3.56Å; F153-W220 HydrophobicContact CB-CZ2 4.05Å; F153-W220 HydrophobicContact CB-CZ3 3.89Å; F153-W220 HydrophobicContact CD2-CE3 4.03Å; F153-W220 HydrophobicContact CD2-CH2 4.41Å; F153-W220 AromaticContact CD2-CZ3 3.91Å; F153-W220 HydrophobicContact CD2-CZ3 3.91Å; F153-W220 HydrophobicContact CG-CZ3 4.44Å; H157-W220 AromaticContact CE1-CE2 3.67Å; H157-W220 AromaticContact CE1-CZ2 3.91Å; H157-W220 AromaticContact CE1-NE1 3.52Å; H157-W220 AromaticContact ND1-CE2 3.69Å; H157-W220 AromaticContact ND1-CZ2 3.66Å; H157-W220 AromaticContact ND1-NE1 3.47Å; H157-W220 PolarHBondContact ND1-NE1 3.34Å; A217-W220 PolarHBondContact O-N 3.36Å; V218-W220 VanDerWaalsContact C-N 3.34Å; V218-W220 PolarHBondContact O-N 2.81Å; W220-L223 HydrophobicContact CE3-CD2 3.73Å; W220-L223 HydrophobicContact CZ3-CD2 3.87Å; W220-G224 PolarHBondContact O-N 3.46Å; W220-L271 HydrophobicContact CB-CD2 4.39Å; W220-G281 PolarHBondContact NE1-O 3.36Å; W220-V287 HydrophobicContact CH2-CB 4.2Å; W220-V287 HydrophobicContact CH2-CG2 3.53Å; W220-V287 HydrophobicContact CZ2-CB 4.07Å; W220-V287 HydrophobicContact CZ2-CG2 3.92Å; W220-V287 HydrophobicContact CZ3-CG2 4.36Å; W220-I290 HydrophobicContact CD2-CD1 3.6Å; W220-I290 HydrophobicContact CE3-CD1 3.25Å; W220-I290 HydrophobicContact CG-CD1 4.22Å; W220-I290 HydrophobicContact CH2-CD1 4.23Å; W220-I290 HydrophobicContact CZ3-CD1 3.6Å
221W98.8Very high98Very high0 Ų018.6 Ų18.60%010%0.099CC..Hα-helixtrans-63.1-49.5168.8172.4-83.2000110.8L204 A205 P206 A217 V218 L223 G224 V225 F237 I249 L272 V274L204-W221 PolarHBondContact O-NE1 3.47Å; L204-W221 VanDerWaalsContact O-NE1 3.15Å; A205-W221 HydrophobicContact CB-CB 3.96Å; A205-W221 HydrophobicContact CB-CD2 4.4Å; A205-W221 HydrophobicContact CB-CG 3.83Å; P206-W221 HydrophobicContact CG-CE3 4.17Å; P206-W221 HydrophobicContact CG-CH2 3.57Å; P206-W221 HydrophobicContact CG-CZ2 3.98Å; P206-W221 HydrophobicContact CG-CZ3 3.67Å; A217-W221 PolarHBondContact O-N 3.2Å; V218-W221 WeakPolarHBondContact O-CB 3.35Å; V218-W221 PolarHBondContact O-N 3Å; W221-L223 VanDerWaalsContact C-N 3.26Å; W221-L223 PolarHBondContact O-N 2.92Å; W221-G224 VanDerWaalsContact O-CA 3.31Å; W221-G224 WeakPolarHBondContact O-CA 3.48Å; W221-G224 PolarHBondContact O-N 2.89Å; W221-V225 PolarHBondContact O-N 3.4Å; W221-F237 HydrophobicContact CH2-CE2 4.12Å; W221-F237 HydrophobicContact CH2-CZ 4.06Å; W221-F237 HydrophobicContact CZ2-CD2 4.4Å; W221-F237 AromaticContact CZ2-CE2 3.48Å; W221-F237 HydrophobicContact CZ2-CE2 3.48Å; W221-F237 VanDerWaalsContact CZ2-CE2 3.48Å; W221-F237 AromaticContact CZ2-CZ 3.88Å; W221-F237 HydrophobicContact CZ2-CZ 3.88Å; W221-I249 HydrophobicContact CH2-CG2 4.32Å; W221-I249 HydrophobicContact CZ2-CG2 3.73Å; W221-L272 HydrophobicContact CD2-CD2 4.09Å; W221-L272 HydrophobicContact CE3-CD2 4.39Å; W221-L272 HydrophobicContact CH2-CB 4.4Å; W221-L272 HydrophobicContact CZ2-CD2 4.24Å; W221-L272 HydrophobicContact CZ3-CB 4.23Å; W221-L272 WeakPolarHBondContact CZ3-O 3.46Å; W221-V274 HydrophobicContact CH2-CG2 4.34Å; W221-V274 HydrophobicContact CZ3-CG2 4.28Å
222A98.9Very high98.2Very high6 Ų614.6 Ų14.65%0.057%0.072CC..Hα-helixtrans-60.7-35.6179.600000112L166 Y203 V218 D219 G224 V225 L226L166-A222 HydrophobicContact CB-CB 3.95Å; L166-A222 HydrophobicContact CD2-CB 4.18Å; Y203-A222 HydrophobicContact CD1-CB 4.2Å; V218-A222 PolarHBondContact O-N 3.42Å; D219-A222 PolarHBondContact O-N 3.46Å; A222-G224 VanDerWaalsContact C-N 3.29Å; A222-G224 PolarHBondContact O-N 2.99Å; A222-V225 WeakPolarHBondContact O-CB 3.25Å; A222-V225 PolarHBondContact O-N 2.77Å; A222-V225 VanDerWaalsContact O-N 3.17Å; A222-L226 PolarHBondContact O-N 3.5Å
223L98.9Very high98.3Very high0 Ų09.3 Ų9.30%05%0.051CC..Hα-helixtrans-58.6-41.5169.9175.165.8000111.7A146 I149 V150 F153 L166 D219 W220 W221 V225 L226 I227 L271A146-L223 HydrophobicContact CB-CD1 4.48Å; I149-L223 HydrophobicContact CB-CD1 4Å; I149-L223 HydrophobicContact CG2-CD1 3.82Å; V150-L223 HydrophobicContact CG2-CD2 3.53Å; F153-L223 HydrophobicContact CE2-CB 4.27Å; L166-L223 HydrophobicContact CD2-CB 4.41Å; D219-L223 PolarHBondContact O-N 2.66Å; W220-L223 HydrophobicContact CE3-CD2 3.73Å; W220-L223 HydrophobicContact CZ3-CD2 3.87Å; W221-L223 VanDerWaalsContact C-N 3.26Å; W221-L223 PolarHBondContact O-N 2.92Å; L223-V225 VanDerWaalsContact C-N 3.34Å; L223-L226 PolarHBondContact O-N 2.99Å; L223-I227 HydrophobicContact CD1-CD1 3.88Å; L223-I227 HydrophobicContact CD1-CG1 4.03Å; L223-I227 HydrophobicContact CD2-CD1 4.41Å; L223-I227 HydrophobicContact CG-CD1 3.82Å; L223-I227 HydrophobicContact CG-CG1 4.35Å; L223-I227 WeakPolarHBondContact O-CB 3.32Å; L223-I227 VanDerWaalsContact O-CG1 3.26Å; L223-I227 WeakPolarHBondContact O-CG1 3.4Å; L223-I227 PolarHBondContact O-N 3.3Å; L223-L271 HydrophobicContact CD2-CD1 4.31Å; L223-L271 HydrophobicContact CG-CD1 4.29Å
224G98.9Very high98.4Very high0 Ų013.2 Ų13.20%06%0.064CC..Hα-helixtrans-60.5-42.7174.100000112.4W220 W221 A222 Y228 L268W220-G224 PolarHBondContact O-N 3.46Å; W221-G224 VanDerWaalsContact O-CA 3.31Å; W221-G224 WeakPolarHBondContact O-CA 3.48Å; W221-G224 PolarHBondContact O-N 2.89Å; A222-G224 VanDerWaalsContact C-N 3.29Å; A222-G224 PolarHBondContact O-N 2.99Å; G224-Y228 WeakPolarHBondContact O-CB 3.49Å; G224-Y228 PolarHBondContact O-N 3.39Å; G224-Y228 VanDerWaalsContact O-N 3.08Å; G224-L268 WeakPolarHBondContact O-CD2 3.21Å
225V98.9Very high98.5Very high0 Ų013.7 Ų13.70%07%0.067CC..Hα-helixtrans-62.7-47175.9-179.20000110.2E202 Y203 W221 A222 L223 Y228 E229 P236 L272E202-V225 WeakPolarHBondContact O-CG1 3.39Å; Y203-V225 HydrophobicContact CD1-CB 3.69Å; Y203-V225 HydrophobicContact CD1-CG1 3.57Å; Y203-V225 HydrophobicContact CD2-CG1 4.12Å; Y203-V225 HydrophobicContact CE1-CB 3.74Å; Y203-V225 HydrophobicContact CE1-CG1 3.48Å; Y203-V225 VanDerWaalsContact CE1-CG1 3.48Å; Y203-V225 HydrophobicContact CE2-CG1 4Å; Y203-V225 HydrophobicContact CG-CB 4.38Å; Y203-V225 HydrophobicContact CG-CG1 3.9Å; W221-V225 PolarHBondContact O-N 3.4Å; A222-V225 WeakPolarHBondContact O-CB 3.25Å; A222-V225 PolarHBondContact O-N 2.77Å; A222-V225 VanDerWaalsContact O-N 3.17Å; L223-V225 VanDerWaalsContact C-N 3.34Å; V225-Y228 WeakPolarHBondContact O-CB 3.44Å; V225-Y228 PolarHBondContact O-N 3.36Å; V225-E229 WeakPolarHBondContact O-CB 3.39Å; V225-E229 PolarHBondContact O-N 2.73Å; V225-P236 HydrophobicContact CB-CG 4.41Å; V225-P236 HydrophobicContact CG1-CG 4.11Å; V225-P236 HydrophobicContact CG2-CG 4.28Å; V225-L272 HydrophobicContact CG2-CD2 3.72Å
226L98.9Very high98.6Very high0 Ų012.4 Ų12.40%06%0.061CC..Hα-helixtrans-61.8-47179.6-176.768.1000112.3M127 I149 L166 P168 L171 Y203 A222 L223 Y228 E229 M230M127-L226 HydrophobicContact SD-CD1 4.38Å; I149-L226 HydrophobicContact CG1-CD2 3.95Å; L166-L226 HydrophobicContact CD1-CD2 4.13Å; L166-L226 HydrophobicContact CD2-CB 4.04Å; L166-L226 HydrophobicContact CD2-CD2 3.84Å; L166-L226 HydrophobicContact CG-CD2 4.1Å; P168-L226 HydrophobicContact CG-CD1 3.88Å; L171-L226 HydrophobicContact CD1-CD1 4.01Å; L171-L226 HydrophobicContact CD1-CD2 3.63Å; L171-L226 HydrophobicContact CD1-CG 4.48Å; Y203-L226 HydrophobicContact CE1-CB 4.03Å; A222-L226 PolarHBondContact O-N 3.5Å; L223-L226 PolarHBondContact O-N 2.99Å; L226-Y228 VanDerWaalsContact C-N 3.3Å; L226-Y228 PolarHBondContact O-N 3.1Å; L226-E229 PolarHBondContact O-N 3.35Å; L226-M230 HydrophobicContact CD1-CG 4.39Å; L226-M230 HydrophobicContact CD2-CE 4.41Å; L226-M230 HydrophobicContact CG-CE 4.04Å; L226-M230 HydrophobicContact CG-CG 4.47Å; L226-M230 HydrophobicContact CG-SD 4.41Å; L226-M230 WeakPolarHBondContact O-CG 3.41Å; L226-M230 PolarHBondContact O-N 2.83Å
227I98.9Very high98.6Very high0 Ų08.2 Ų8.20%04%0.043CC..Hα-helixtrans-60.7-43.4178.5-69.9170.6000110.4A146 L223 M230 A231 L264 L267 L268 L271 W295A146-I227 HydrophobicContact CB-CD1 3.85Å; A146-I227 HydrophobicContact CB-CG1 3.66Å; L223-I227 HydrophobicContact CD1-CD1 3.88Å; L223-I227 HydrophobicContact CD1-CG1 4.03Å; L223-I227 HydrophobicContact CD2-CD1 4.41Å; L223-I227 HydrophobicContact CG-CD1 3.82Å; L223-I227 HydrophobicContact CG-CG1 4.35Å; L223-I227 WeakPolarHBondContact O-CB 3.32Å; L223-I227 VanDerWaalsContact O-CG1 3.26Å; L223-I227 WeakPolarHBondContact O-CG1 3.4Å; L223-I227 PolarHBondContact O-N 3.3Å; I227-M230 HydrophobicContact CG1-CE 4.39Å; I227-A231 WeakPolarHBondContact O-CB 3.4Å; I227-A231 PolarHBondContact O-N 3.36Å; I227-A231 VanDerWaalsContact O-N 3.17Å; I227-L264 HydrophobicContact CG2-CD1 3.53Å; I227-L267 HydrophobicContact CD1-CD2 4.11Å; I227-L268 HydrophobicContact CB-CD2 3.94Å; I227-L268 HydrophobicContact CG2-CD2 3.84Å; I227-L268 HydrophobicContact CG2-CG 4.46Å; I227-L271 HydrophobicContact CD1-CD1 3.98Å; I227-W295 HydrophobicContact CD1-CZ3 4.36Å; I227-W295 HydrophobicContact CG2-CH2 3.97Å; I227-W295 HydrophobicContact CG2-CZ2 4.42Å; I227-W295 HydrophobicContact CG2-CZ3 4.36Å
228Y98.9Very high98.5Very high7 Ų713.5 Ų13.53%0.0277%0.066CC..Hα-helixtrans-59.7-51.6175.5-175.9-68.4000110.1G224 V225 L226 M230 A231 A232 Y234 P236 V254 K255 F256 F260 L268G224-Y228 WeakPolarHBondContact O-CB 3.49Å; G224-Y228 PolarHBondContact O-N 3.39Å; G224-Y228 VanDerWaalsContact O-N 3.08Å; V225-Y228 WeakPolarHBondContact O-CB 3.44Å; V225-Y228 PolarHBondContact O-N 3.36Å; L226-Y228 VanDerWaalsContact C-N 3.3Å; L226-Y228 PolarHBondContact O-N 3.1Å; Y228-M230 PolarHBondContact O-N 3.21Å; Y228-A231 PolarHBondContact O-N 3.18Å; Y228-A232 HydrophobicContact CD1-CB 3.87Å; Y228-A232 HydrophobicContact CE1-CB 3.6Å; Y228-A232 VanDerWaalsContact O-CB 3.25Å; Y228-A232 WeakPolarHBondContact O-CB 3.32Å; Y228-A232 PolarHBondContact O-N 2.76Å; Y228-Y234 VanDerWaalsContact CD1-O 3.25Å; Y228-Y234 WeakPolarHBondContact CD1-O 3.4Å; Y228-Y234 HydrophobicContact CE1-CD2 4.05Å; Y228-Y234 AromaticContact CE1-CE2 3.82Å; Y228-Y234 HydrophobicContact CE1-CE2 3.82Å; Y228-Y234 VanDerWaalsContact CE1-O 3.28Å; Y228-Y234 WeakPolarHBondContact CE1-O 3.43Å; Y228-P236 HydrophobicContact CD1-CB 3.88Å; Y228-P236 HydrophobicContact CD1-CG 4.19Å; Y228-P236 HydrophobicContact CD2-CB 3.74Å; Y228-P236 HydrophobicContact CD2-CG 4.41Å; Y228-P236 HydrophobicContact CE1-CB 4.04Å; Y228-P236 HydrophobicContact CE2-CB 3.87Å; Y228-P236 HydrophobicContact CG-CB 3.76Å; Y228-P236 HydrophobicContact CG-CG 4.02Å; Y228-V254 HydrophobicContact CD2-CG1 4.19Å; Y228-V254 HydrophobicContact CE2-CG1 3.82Å; Y228-K255 WeakPolarHBondContact CE2-O 3.41Å; Y228-K255 PolarHBondContact OH-O 3.44Å; Y228-F256 HydrophobicContact CD2-CD1 4.2Å; Y228-F256 HydrophobicContact CD2-CE1 4.24Å; Y228-F256 AromaticContact CE2-CD1 3.95Å; Y228-F256 HydrophobicContact CE2-CD1 3.95Å; Y228-F256 HydrophobicContact CE2-CE1 4.31Å; Y228-F260 AromaticContact CD2-CE2 3.95Å; Y228-F260 HydrophobicContact CD2-CE2 3.95Å; Y228-F260 HydrophobicContact CD2-CZ 4.49Å; Y228-F260 HydrophobicContact CE2-CE2 4.19Å; Y228-F260 HydrophobicContact CG-CE2 4.35Å; Y228-L268 HydrophobicContact CD2-CD1 4.04Å
229E98.7Very high98.4Very high7 Ų714.6 Ų14.63%0.0338%0.076CC..Hα-helixtrans-62.7-42.9-175.6-176.2163.3-164.700112.2L131 R132 Y203 V225 L226 A231 G233 Y234L131-E229 HydrophobicContact CD2-CG 3.99Å; R132-E229 IonicContact CZ-OE1 3.12Å; R132-E229 IonicContact NH2-OE1 4Å; R132-E229 PolarHBondContact NH2-OE1 3.28Å; Y203-E229 PolarHBondContact OH-OE2 3.33Å; V225-E229 WeakPolarHBondContact O-CB 3.39Å; V225-E229 PolarHBondContact O-N 2.73Å; L226-E229 PolarHBondContact O-N 3.35Å; E229-A231 PolarHBondContact O-N 2.85Å; E229-G233 VanDerWaalsContact O-CA 3.28Å; E229-G233 WeakPolarHBondContact O-CA 3.2Å; E229-G233 PolarHBondContact O-N 2.82Å; E229-Y234 WeakPolarHBondContact CA-O 3.45Å
230M98.7Very high98.3Very high0 Ų021.8 Ų21.80%011%0.114CC..Hα-helixtrans-59.3-45175-71.7-171.8-63.300112M127 F137 S142 Y145 A146 L226 I227 Y228M127-M230 HydrophobicContact CE-SD 3.99Å; M127-M230 HydrophobicContact SD-CG 4.2Å; M127-M230 HydrophobicContact SD-SD 3.81Å; F137-M230 HydrophobicContact CD2-CB 3.99Å; F137-M230 HydrophobicContact CD2-CG 4Å; F137-M230 HydrophobicContact CD2-SD 4.13Å; F137-M230 HydrophobicContact CE2-CG 4.34Å; F137-M230 HydrophobicContact CE2-SD 4.4Å; F137-M230 PolarHBondContact N-O 2.86Å; S142-M230 WeakPolarHBondContact O-CE 3.46Å; S142-M230 WeakPolarHBondContact OG-CB 3.47Å; Y145-M230 HydrophobicContact CD2-SD 4.18Å; Y145-M230 HydrophobicContact CG-SD 4.43Å; A146-M230 HydrophobicContact CB-CE 4.32Å; L226-M230 HydrophobicContact CD1-CG 4.39Å; L226-M230 HydrophobicContact CD2-CE 4.41Å; L226-M230 HydrophobicContact CG-CE 4.04Å; L226-M230 HydrophobicContact CG-CG 4.47Å; L226-M230 HydrophobicContact CG-SD 4.41Å; L226-M230 WeakPolarHBondContact O-CG 3.41Å; L226-M230 PolarHBondContact O-N 2.83Å; I227-M230 HydrophobicContact CG1-CE 4.39Å; Y228-M230 PolarHBondContact O-N 3.21Å
231A98.6Very high98.2Very high2 Ų227.1 Ų27.12%0.01714%0.139CC..Hα-helixtrans-78.6-30.2-175.700000114I227 Y228 E229 F260 L264I227-A231 WeakPolarHBondContact O-CB 3.4Å; I227-A231 PolarHBondContact O-N 3.36Å; I227-A231 VanDerWaalsContact O-N 3.17Å; Y228-A231 PolarHBondContact O-N 3.18Å; E229-A231 PolarHBondContact O-N 2.85Å; A231-F260 HydrophobicContact CB-CD1 4.49Å; A231-F260 HydrophobicContact CB-CE1 3.61Å; A231-F260 HydrophobicContact CB-CZ 3.64Å; A231-L264 HydrophobicContact CB-CD2 3.86Å
232A98.4Very high98.1Very high8 Ų829.8 Ų29.87%0.06616%0.156CC..Hα-helixtrans-92.7-31.2-179.100000113.3Y228 Y234 P257 F260Y228-A232 HydrophobicContact CD1-CB 3.87Å; Y228-A232 HydrophobicContact CE1-CB 3.6Å; Y228-A232 VanDerWaalsContact O-CB 3.25Å; Y228-A232 WeakPolarHBondContact O-CB 3.32Å; Y228-A232 PolarHBondContact O-N 2.76Å; A232-Y234 HydrophobicContact CB-CD1 4.11Å; A232-Y234 HydrophobicContact CB-CD2 4.46Å; A232-Y234 HydrophobicContact CB-CE1 3.92Å; A232-Y234 HydrophobicContact CB-CE2 4.27Å; A232-Y234 HydrophobicContact CB-CG 4.39Å; A232-Y234 WeakPolarHBondContact O-CD1 3.27Å; A232-P257 HydrophobicContact CB-CG 4.02Å; A232-F260 HydrophobicContact CB-CE1 4.11Å; A232-F260 HydrophobicContact CB-CZ 3.81Å
233G97.8Very high98Very high10 Ų1034.4 Ų34.410%0.10318%0.179CC..SBendtrans89-0.5-169.300000114.6R132 G135 E229R132-G233 PolarHBondContact NH1-O 3.5Å; G135-G233 WeakPolarHBondContact O-CA 3.38Å; E229-G233 VanDerWaalsContact O-CA 3.28Å; E229-G233 WeakPolarHBondContact O-CA 3.2Å; E229-G233 PolarHBondContact O-N 2.82Å
234Y97.6Very high97.9Very high93 Ų9338.2 Ų38.237%0.36520%0.197SC..SBendtrans-152.1152-179.857.7-93.4000110Y228 E229 A232 F238Y228-Y234 VanDerWaalsContact CD1-O 3.25Å; Y228-Y234 WeakPolarHBondContact CD1-O 3.4Å; Y228-Y234 HydrophobicContact CE1-CD2 4.05Å; Y228-Y234 AromaticContact CE1-CE2 3.82Å; Y228-Y234 HydrophobicContact CE1-CE2 3.82Å; Y228-Y234 VanDerWaalsContact CE1-O 3.28Å; Y228-Y234 WeakPolarHBondContact CE1-O 3.43Å; E229-Y234 WeakPolarHBondContact CA-O 3.45Å; A232-Y234 HydrophobicContact CB-CD1 4.11Å; A232-Y234 HydrophobicContact CB-CD2 4.46Å; A232-Y234 HydrophobicContact CB-CE1 3.92Å; A232-Y234 HydrophobicContact CB-CE2 4.27Å; A232-Y234 HydrophobicContact CB-CG 4.39Å; A232-Y234 WeakPolarHBondContact O-CD1 3.27Å; Y234-F238 HydrophobicContact CD2-CD1 4.45Å; Y234-F238 AromaticContact CD2-CE1 3.93Å; Y234-F238 HydrophobicContact CD2-CE1 3.93Å; Y234-F238 HydrophobicContact CE2-CE1 4.34Å
235P98.1Very high97.9Very high12 Ų1238.5 Ų38.58%0.07820%0.198CC..  trans-71156.6-177.429-35000112.3E202 F237 F238E202-P235 HydrophobicContact CB-CB 4.32Å; E202-P235 HydrophobicContact CG-CB 4.47Å; E202-P235 HydrophobicContact CG-CG 4.16Å; P235-F237 PolarHBondContact O-N 3.45Å; P235-F238 HydrophobicContact CG-CB 4.16Å; P235-F238 WeakPolarHBondContact O-CD1 3.37Å
236P98.5Very high97.8Very high15 Ų1541.2 Ų41.210%0.09721%0.209CC..SBendtrans-65.8-26-179.624-31.7000113.6V225 Y228 V254 L272V225-P236 HydrophobicContact CB-CG 4.41Å; V225-P236 HydrophobicContact CG1-CG 4.11Å; V225-P236 HydrophobicContact CG2-CG 4.28Å; Y228-P236 HydrophobicContact CD1-CB 3.88Å; Y228-P236 HydrophobicContact CD1-CG 4.19Å; Y228-P236 HydrophobicContact CD2-CB 3.74Å; Y228-P236 HydrophobicContact CD2-CG 4.41Å; Y228-P236 HydrophobicContact CE1-CB 4.04Å; Y228-P236 HydrophobicContact CE2-CB 3.87Å; Y228-P236 HydrophobicContact CG-CB 3.76Å; Y228-P236 HydrophobicContact CG-CG 4.02Å; P236-V254 HydrophobicContact CB-CG1 4.13Å; P236-L272 HydrophobicContact CB-CD1 4.27Å; P236-L272 HydrophobicContact CG-CD1 4.19Å
237F98.2Very high97.8Very high2 Ų247.2 Ų47.21%0.00924%0.237CC..SBendtrans-128.7115.2179.6-44-75.9000108.4W221 P235 I245 K248 I249 V254 L272W221-F237 HydrophobicContact CH2-CE2 4.12Å; W221-F237 HydrophobicContact CH2-CZ 4.06Å; W221-F237 HydrophobicContact CZ2-CD2 4.4Å; W221-F237 AromaticContact CZ2-CE2 3.48Å; W221-F237 HydrophobicContact CZ2-CE2 3.48Å; W221-F237 VanDerWaalsContact CZ2-CE2 3.48Å; W221-F237 AromaticContact CZ2-CZ 3.88Å; W221-F237 HydrophobicContact CZ2-CZ 3.88Å; P235-F237 PolarHBondContact O-N 3.45Å; F237-I245 HydrophobicContact CB-CG2 4.2Å; F237-K248 HydrophobicContact CB-CB 4.35Å; F237-K248 HydrophobicContact CD1-CB 4.03Å; F237-I249 HydrophobicContact CB-CD1 4.49Å; F237-I249 HydrophobicContact CB-CG1 3.82Å; F237-I249 HydrophobicContact CD1-CG1 4.27Å; F237-I249 HydrophobicContact CD2-CD1 4.45Å; F237-I249 HydrophobicContact CD2-CG1 3.54Å; F237-I249 HydrophobicContact CE2-CG1 4.13Å; F237-I249 HydrophobicContact CG-CG1 3.61Å; F237-V254 HydrophobicContact CE1-CG2 3.77Å; F237-V254 HydrophobicContact CE2-CG2 4.46Å; F237-V254 HydrophobicContact CZ-CG2 3.47Å; F237-V254 VanDerWaalsContact CZ-CG2 3.47Å; F237-L272 HydrophobicContact CE2-CD2 4.49Å
238F96.3Very high97.8Very high112 Ų11251.7 Ų51.749%0.49126%0.256SS..  trans-144.5150.4176.260.1-84.6000110.2Y234 P235 K248Y234-F238 HydrophobicContact CD2-CD1 4.45Å; Y234-F238 AromaticContact CD2-CE1 3.93Å; Y234-F238 HydrophobicContact CD2-CE1 3.93Å; Y234-F238 HydrophobicContact CE2-CE1 4.34Å; P235-F238 HydrophobicContact CG-CB 4.16Å; P235-F238 WeakPolarHBondContact O-CD1 3.37Å; F238-K248 PolarHBondContact O-NZ 2.93Å
239A97.2Very high97.7Very high28 Ų2851.3 Ų51.323%0.23126%0.255CS..  trans-166.9170.517500000108.4Q241 Q244 I245A239-Q241 VanDerWaalsContact C-N 3.33Å; A239-Q244 HydrophobicContact CB-CB 3.46Å; A239-Q244 VanDerWaalsContact CB-CB 3.46Å; A239-I245 HydrophobicContact CB-CG1 3.84Å
240D96.1Very high97.7Very high152 Ų15253.4 Ų53.481%0.81327%0.268SS*.SBendtrans-73.8-27.9-177.4-56.3-34.9000112.5
241Q96.9Very high97.6Very high115 Ų11556.3 Ų56.354%0.53729%0.288SS..SBendtrans-118136.8-179.2-63.1-61.2-40.400111.1A239 I243 Q244 I245A239-Q241 VanDerWaalsContact C-N 3.33Å; Q241-I243 HydrophobicContact CB-CG2 4.15Å; Q241-I243 PolarHBondContact O-N 3.3Å; Q241-I243 VanDerWaalsContact O-N 3.09Å; Q241-Q244 HydrophobicContact CB-CG 4.34Å; Q241-Q244 WeakPolarHBondContact O-CB 3.35Å; Q241-Q244 PolarHBondContact O-N 2.68Å; Q241-I245 PolarHBondContact O-N 2.75Å
242P96.4Very high97.4Very high56 Ų5657.5 Ų57.536%0.36430%0.301SS..Hα-helixtrans-52.4-37179.9-29.835.5000114.1P201 Q244 I245 Y246P201-P242 HydrophobicContact CB-CB 4.43Å; P201-P242 HydrophobicContact CG-CB 4.42Å; P242-Q244 VanDerWaalsContact C-N 3.28Å; P242-Q244 PolarHBondContact O-N 2.93Å; P242-I245 WeakPolarHBondContact O-CB 3.39Å; P242-I245 PolarHBondContact O-N 2.87Å; P242-I245 VanDerWaalsContact O-N 3.11Å; P242-Y246 HydrophobicContact CB-CE1 4.41Å; P242-Y246 HydrophobicContact CB-CE2 4.18Å; P242-Y246 VanDerWaalsContact O-CD1 3.27Å; P242-Y246 WeakPolarHBondContact O-CD1 3.34Å; P242-Y246 WeakPolarHBondContact O-CD2 3.35Å; P242-Y246 PolarHBondContact O-N 3.34Å
243I96.6Very high97.2Very high104 Ų10465.4 Ų65.453%0.53333%0.334SS..Hα-helixtrans-60.5-37.1179.2-16861.2000112.8Q241 Y246 E247Q241-I243 HydrophobicContact CB-CG2 4.15Å; Q241-I243 PolarHBondContact O-N 3.3Å; Q241-I243 VanDerWaalsContact O-N 3.09Å; I243-Y246 HydrophobicContact CD1-CD2 4.32Å; I243-Y246 WeakPolarHBondContact O-CB 3.27Å; I243-Y246 PolarHBondContact O-N 2.77Å; I243-E247 WeakPolarHBondContact O-CG 3.34Å; I243-E247 PolarHBondContact O-N 3.01Å
244Q98Very high97.2Very high80 Ų8066.3 Ų66.337%0.37434%0.337SS..Hα-helixtrans-72.4-33.4177.9-63.7171.4-33.900111.3A239 Q241 P242 Y246 K248A239-Q244 HydrophobicContact CB-CB 3.46Å; A239-Q244 VanDerWaalsContact CB-CB 3.46Å; Q241-Q244 HydrophobicContact CB-CG 4.34Å; Q241-Q244 WeakPolarHBondContact O-CB 3.35Å; Q241-Q244 PolarHBondContact O-N 2.68Å; P242-Q244 VanDerWaalsContact C-N 3.28Å; P242-Q244 PolarHBondContact O-N 2.93Å; Q244-Y246 VanDerWaalsContact C-N 3.32Å; Q244-K248 WeakPolarHBondContact O-CG 3.26Å; Q244-K248 PolarHBondContact O-N 3.28Å
245I98.1Very high97.2Very high5 Ų570.4 Ų70.43%0.02636%0.357CS..Hα-helixtrans-63-45172.3-55.8178.6000109.1P201 E202 F237 A239 Q241 P242 E247 K248 I249P201-I245 HydrophobicContact CB-CD1 4.27Å; E202-I245 HydrophobicContact CG-CD1 4.23Å; F237-I245 HydrophobicContact CB-CG2 4.2Å; A239-I245 HydrophobicContact CB-CG1 3.84Å; Q241-I245 PolarHBondContact O-N 2.75Å; P242-I245 WeakPolarHBondContact O-CB 3.39Å; P242-I245 PolarHBondContact O-N 2.87Å; P242-I245 VanDerWaalsContact O-N 3.11Å; I245-E247 PolarHBondContact O-N 2.8Å; I245-K248 WeakPolarHBondContact O-CB 3.47Å; I245-K248 PolarHBondContact O-N 2.96Å; I245-I249 HydrophobicContact CG2-CD1 3.79Å; I245-I249 HydrophobicContact CG2-CG1 4.42Å; I245-I249 WeakPolarHBondContact O-CG1 3.38Å; I245-I249 PolarHBondContact O-N 2.81Å
246Y98Very high97.2Very high57 Ų5772.4 Ų72.422%0.22436%0.364CS..Hα-helixtrans-61.5-44.5179.8-60.3-16.1000112.7P201 L204 I209 P242 I243 Q244 K248 I249 V250P201-Y246 HydrophobicContact CB-CE1 3.86Å; L204-Y246 HydrophobicContact CD1-CE1 3.75Å; I209-Y246 HydrophobicContact CD1-CD1 3.81Å; I209-Y246 HydrophobicContact CD1-CG 4.2Å; I209-Y246 HydrophobicContact CG1-CD1 4.01Å; I209-Y246 HydrophobicContact CG1-CG 4.24Å; I209-Y246 HydrophobicContact CG2-CD2 4.47Å; I209-Y246 HydrophobicContact CG2-CG 4.07Å; P242-Y246 HydrophobicContact CB-CE1 4.41Å; P242-Y246 HydrophobicContact CB-CE2 4.18Å; P242-Y246 VanDerWaalsContact O-CD1 3.27Å; P242-Y246 WeakPolarHBondContact O-CD1 3.34Å; P242-Y246 WeakPolarHBondContact O-CD2 3.35Å; P242-Y246 PolarHBondContact O-N 3.34Å; I243-Y246 HydrophobicContact CD1-CD2 4.32Å; I243-Y246 WeakPolarHBondContact O-CB 3.27Å; I243-Y246 PolarHBondContact O-N 2.77Å; Q244-Y246 VanDerWaalsContact C-N 3.32Å; Y246-K248 VanDerWaalsContact C-N 3.31Å; Y246-K248 PolarHBondContact O-N 2.84Å; Y246-I249 PolarHBondContact O-N 2.93Å; Y246-V250 WeakPolarHBondContact O-CG2 3.12Å; Y246-V250 PolarHBondContact O-N 3.02Å
247E97.9Very high97.2Very high127 Ų12772.3 Ų72.359%0.59336%0.364SS*.Hα-helixtrans-57.2-44174.2-72.6173.417800111.8I243 I245 S251I243-E247 WeakPolarHBondContact O-CG 3.34Å; I243-E247 PolarHBondContact O-N 3.01Å; I245-E247 PolarHBondContact O-N 2.8Å; E247-S251 WeakPolarHBondContact O-CB 3.41Å; E247-S251 PolarHBondContact O-N 3.29Å
248K98.2Very high97.2Very high93 Ų9377.7 Ų77.740%0.40440%0.402SS..Hα-helixtrans-63.8-45177-71.2178.6-178.5-173.90112.1F237 F238 Q244 I245 Y246 S251 G252F237-K248 HydrophobicContact CB-CB 4.35Å; F237-K248 HydrophobicContact CD1-CB 4.03Å; F238-K248 PolarHBondContact O-NZ 2.93Å; Q244-K248 WeakPolarHBondContact O-CG 3.26Å; Q244-K248 PolarHBondContact O-N 3.28Å; I245-K248 WeakPolarHBondContact O-CB 3.47Å; I245-K248 PolarHBondContact O-N 2.96Å; Y246-K248 VanDerWaalsContact C-N 3.31Å; Y246-K248 PolarHBondContact O-N 2.84Å; K248-S251 PolarHBondContact O-N 2.9Å; K248-S251 PolarHBondContact O-OG 2.85Å; K248-G252 PolarHBondContact O-N 3.4Å
249I98.3Very high97.3Very high0 Ų076.3 Ų76.30%040%0.397CS..Hα-helixtrans-60-51.3178.7-73.6166.1000110.3P201 P206 I209 W221 F237 I245 Y246 S251 G252P201-I249 WeakPolarHBondContact O-CD1 3.36Å; P206-I249 HydrophobicContact CB-CG2 4.26Å; P206-I249 HydrophobicContact CG-CG2 3.73Å; I209-I249 HydrophobicContact CD1-CB 3.8Å; I209-I249 HydrophobicContact CD1-CD1 3.82Å; I209-I249 HydrophobicContact CD1-CG1 4.41Å; I209-I249 HydrophobicContact CD1-CG2 3.49Å; I209-I249 VanDerWaalsContact CD1-CG2 3.49Å; W221-I249 HydrophobicContact CH2-CG2 4.32Å; W221-I249 HydrophobicContact CZ2-CG2 3.73Å; F237-I249 HydrophobicContact CB-CD1 4.49Å; F237-I249 HydrophobicContact CB-CG1 3.82Å; F237-I249 HydrophobicContact CD1-CG1 4.27Å; F237-I249 HydrophobicContact CD2-CD1 4.45Å; F237-I249 HydrophobicContact CD2-CG1 3.54Å; F237-I249 HydrophobicContact CE2-CG1 4.13Å; F237-I249 HydrophobicContact CG-CG1 3.61Å; I245-I249 HydrophobicContact CG2-CD1 3.79Å; I245-I249 HydrophobicContact CG2-CG1 4.42Å; I245-I249 WeakPolarHBondContact O-CG1 3.38Å; I245-I249 PolarHBondContact O-N 2.81Å; Y246-I249 PolarHBondContact O-N 2.93Å; I249-S251 VanDerWaalsContact C-N 3.26Å; I249-S251 PolarHBondContact O-N 3.17Å; I249-G252 PolarHBondContact O-N 3.03Å; I249-G252 VanDerWaalsContact O-N 3.07Å
250V97.6Very high97.4Very high50 Ų5075.3 Ų75.330%0.30339%0.387SS..Hα-helixtrans-64.7-31-178.81750000111.8I209 L210 Y246 G252I209-V250 HydrophobicContact CB-CG2 4.31Å; I209-V250 HydrophobicContact CG2-CG2 3.84Å; L210-V250 HydrophobicContact CD1-CG1 4.32Å; L210-V250 HydrophobicContact CD2-CG1 4.09Å; L210-V250 HydrophobicContact CD2-CG2 4.16Å; L210-V250 HydrophobicContact CG-CG1 4.45Å; L210-V250 HydrophobicContact CG-CG2 4.11Å; Y246-V250 WeakPolarHBondContact O-CG2 3.12Å; Y246-V250 PolarHBondContact O-N 3.02Å; V250-G252 PolarHBondContact O-N 3.48Å
251S96.9Very high97.5Very high61 Ų6169.6 Ų69.643%0.42736%0.359SS..Hα-helixtrans-64.6-2317583.90000114.2E247 K248 I249 K253E247-S251 WeakPolarHBondContact O-CB 3.41Å; E247-S251 PolarHBondContact O-N 3.29Å; K248-S251 PolarHBondContact O-N 2.9Å; K248-S251 PolarHBondContact O-OG 2.85Å; I249-S251 VanDerWaalsContact C-N 3.26Å; I249-S251 PolarHBondContact O-N 3.17Å; S251-K253 PolarHBondContact O-N 3.34Å; S251-K253 VanDerWaalsContact O-N 3.16Å; S251-K253 PolarHBondContact OG-N 2.89Å
252G94Very high97.6Very high27 Ų2769.9 Ų69.928%0.27836%0.364SS..THydrogen-bonded Turntrans67.25.7-176.900000115.3K248 I249 V250 V254 V274K248-G252 PolarHBondContact O-N 3.4Å; I249-G252 PolarHBondContact O-N 3.03Å; I249-G252 VanDerWaalsContact O-N 3.07Å; V250-G252 PolarHBondContact O-N 3.48Å; G252-V254 PolarHBondContact O-N 2.9Å; G252-V274 VanDerWaalsContact CA-CG2 3.49Å
253K95.6Very high97.7Very high174 Ų17471.2 Ų71.276%0.75737%0.366SS*.  trans-84.994.2-175.9-66.7180-177.6175.50111.2S251S251-K253 PolarHBondContact O-N 3.34Å; S251-K253 VanDerWaalsContact O-N 3.16Å; S251-K253 PolarHBondContact OG-N 2.89Å
254V97.4Very high97.8Very high29 Ų2966.2 Ų66.218%0.17634%0.34CS..PPolyproline II helixtrans-93.6128.9176.1-174.90000110.7Y228 P236 F237 G252 F256 L272Y228-V254 HydrophobicContact CD2-CG1 4.19Å; Y228-V254 HydrophobicContact CE2-CG1 3.82Å; P236-V254 HydrophobicContact CB-CG1 4.13Å; F237-V254 HydrophobicContact CE1-CG2 3.77Å; F237-V254 HydrophobicContact CE2-CG2 4.46Å; F237-V254 HydrophobicContact CZ-CG2 3.47Å; F237-V254 VanDerWaalsContact CZ-CG2 3.47Å; G252-V254 PolarHBondContact O-N 2.9Å; V254-F256 HydrophobicContact CB-CE1 4.48Å; V254-F256 HydrophobicContact CB-CE2 4.35Å; V254-F256 HydrophobicContact CB-CZ 4.03Å; V254-F256 HydrophobicContact CG1-CD1 4.15Å; V254-F256 HydrophobicContact CG1-CE1 3.63Å; V254-F256 HydrophobicContact CG1-CE2 4.23Å; V254-F256 HydrophobicContact CG1-CZ 3.68Å; V254-L272 HydrophobicContact CG1-CD1 4.24Å; V254-L272 HydrophobicContact CG2-CB 4.3Å; V254-L272 HydrophobicContact CG2-CD1 3.98Å
255K97.4Very high97.9Very high180 Ų18064.6 Ų64.678%0.78333%0.332SS*.PPolyproline II helixtrans-96.7130.9168.8-68.1-176.3-179.6179.90109.5Y228Y228-K255 WeakPolarHBondContact CE2-O 3.41Å; Y228-K255 PolarHBondContact OH-O 3.44Å
256F98.4Very high97.9Very high53 Ų5368 Ų6823%0.23235%0.35CS..PPolyproline II helixtrans-103.3138.5179.7-61.5-73.5000111.4Y228 V254 F260 K265 L268 K269Y228-F256 HydrophobicContact CD2-CD1 4.2Å; Y228-F256 HydrophobicContact CD2-CE1 4.24Å; Y228-F256 AromaticContact CE2-CD1 3.95Å; Y228-F256 HydrophobicContact CE2-CD1 3.95Å; Y228-F256 HydrophobicContact CE2-CE1 4.31Å; V254-F256 HydrophobicContact CB-CE1 4.48Å; V254-F256 HydrophobicContact CB-CE2 4.35Å; V254-F256 HydrophobicContact CB-CZ 4.03Å; V254-F256 HydrophobicContact CG1-CD1 4.15Å; V254-F256 HydrophobicContact CG1-CE1 3.63Å; V254-F256 HydrophobicContact CG1-CE2 4.23Å; V254-F256 HydrophobicContact CG1-CZ 3.68Å; F256-F260 HydrophobicContact CB-CD2 4.36Å; F256-F260 AromaticContact CD1-CD2 3.96Å; F256-F260 HydrophobicContact CD1-CD2 3.96Å; F256-F260 HydrophobicContact CD1-CE2 4.22Å; F256-K265 HydrophobicContact CB-CD 4.27Å; F256-K265 HydrophobicContact CB-CG 4Å; F256-K265 HydrophobicContact CD1-CG 4.25Å; F256-K265 HydrophobicContact CD2-CG 4.29Å; F256-K265 HydrophobicContact CG-CG 3.91Å; F256-L268 HydrophobicContact CD1-CD1 4.19Å; F256-L268 HydrophobicContact CE1-CB 3.69Å; F256-L268 HydrophobicContact CE1-CD1 3.85Å; F256-L268 HydrophobicContact CE1-CG 4.44Å; F256-L268 HydrophobicContact CZ-CB 4.18Å; F256-K269 HydrophobicContact CE2-CG 3.95Å; F256-K269 HydrophobicContact CZ-CG 3.93Å
257P98.5Very high97.9Very high13 Ų1365.2 Ų65.28%0.08434%0.339CS..PPolyproline II helixtrans-56.5148169.2-23.533.4000112.3A232 H259 F260 K265A232-P257 HydrophobicContact CB-CG 4.02Å; P257-H259 WeakPolarHBondContact CB-CE1 3.44Å; P257-H259 PolarHBondContact O-N 3.43Å; P257-F260 HydrophobicContact CB-CD1 3.93Å; P257-F260 HydrophobicContact CB-CE1 4.11Å; P257-F260 HydrophobicContact CB-CG 4.43Å; P257-F260 HydrophobicContact CG-CD1 3.92Å; P257-F260 HydrophobicContact CG-CE1 3.65Å; P257-F260 HydrophobicContact CG-CE2 4.38Å; P257-F260 HydrophobicContact CG-CG 4.41Å; P257-F260 HydrophobicContact CG-CZ 3.91Å; P257-F260 PolarHBondContact O-N 3.33Å; P257-K265 WeakPolarHBondContact O-CE 3.5Å
258S97.9Very high98Very high115 Ų11559.2 Ų59.280%0.80431%0.311SS*.THydrogen-bonded Turntrans-60-36.5179.453.20000112.2F260S258-F260 VanDerWaalsContact C-N 3.26Å; S258-F260 PolarHBondContact O-N 2.79Å
259H98.4Very high98Very high84 Ų8460.5 Ų60.539%0.38932%0.317SS..THydrogen-bonded Turntrans-74.1-6.1-178.463.9-105.9000114.8R136 P257R136-H259 PolarHBondContact NH1-CD2 3.45Å; R136-H259 PolarHBondContact NH1-NE2 3.26Å; P257-H259 WeakPolarHBondContact CB-CE1 3.44Å; P257-H259 PolarHBondContact O-N 3.43Å
260F98.7Very high98Very high6 Ų662.1 Ų62.13%0.02633%0.325CS..SBendtrans-71.3133.1173.8-82.520.6000110.3Y228 A231 A232 F256 P257 S258 L264 K265 L268Y228-F260 AromaticContact CD2-CE2 3.95Å; Y228-F260 HydrophobicContact CD2-CE2 3.95Å; Y228-F260 HydrophobicContact CD2-CZ 4.49Å; Y228-F260 HydrophobicContact CE2-CE2 4.19Å; Y228-F260 HydrophobicContact CG-CE2 4.35Å; A231-F260 HydrophobicContact CB-CD1 4.49Å; A231-F260 HydrophobicContact CB-CE1 3.61Å; A231-F260 HydrophobicContact CB-CZ 3.64Å; A232-F260 HydrophobicContact CB-CE1 4.11Å; A232-F260 HydrophobicContact CB-CZ 3.81Å; F256-F260 HydrophobicContact CB-CD2 4.36Å; F256-F260 AromaticContact CD1-CD2 3.96Å; F256-F260 HydrophobicContact CD1-CD2 3.96Å; F256-F260 HydrophobicContact CD1-CE2 4.22Å; P257-F260 HydrophobicContact CB-CD1 3.93Å; P257-F260 HydrophobicContact CB-CE1 4.11Å; P257-F260 HydrophobicContact CB-CG 4.43Å; P257-F260 HydrophobicContact CG-CD1 3.92Å; P257-F260 HydrophobicContact CG-CE1 3.65Å; P257-F260 HydrophobicContact CG-CE2 4.38Å; P257-F260 HydrophobicContact CG-CG 4.41Å; P257-F260 HydrophobicContact CG-CZ 3.91Å; P257-F260 PolarHBondContact O-N 3.33Å; S258-F260 VanDerWaalsContact C-N 3.26Å; S258-F260 PolarHBondContact O-N 2.79Å; F260-L264 HydrophobicContact CB-CD2 4.13Å; F260-L264 HydrophobicContact CD1-CD2 3.86Å; F260-L264 HydrophobicContact CD2-CD2 3.56Å; F260-L264 HydrophobicContact CD2-CG 3.85Å; F260-L264 HydrophobicContact CE1-CD2 4.11Å; F260-L264 HydrophobicContact CE2-CD2 3.83Å; F260-L264 HydrophobicContact CE2-CG 4.26Å; F260-L264 HydrophobicContact CG-CD2 3.57Å; F260-L264 HydrophobicContact CG-CG 4.21Å; F260-L264 HydrophobicContact CZ-CD2 4.09Å; F260-K265 HydrophobicContact CB-CD 4.35Å; F260-K265 HydrophobicContact CB-CG 3.93Å; F260-K265 WeakPolarHBondContact O-CE 3.46Å; F260-K265 PolarHBondContact O-NZ 3.46Å; F260-L268 HydrophobicContact CD2-CD1 3.97Å; F260-L268 HydrophobicContact CE2-CD1 3.59Å
261S98.8Very high98.1Very high32 Ų3259.8 Ų59.822%0.22431%0.311CS..  trans-60.2159.1171.469.50000111.7E139 E263 L264 K265E139-S261 VanDerWaalsContact CD-OG 3.31Å; E139-S261 VanDerWaalsContact OE1-CB 3.32Å; E139-S261 WeakPolarHBondContact OE1-CB 3.5Å; E139-S261 PolarHBondContact OE1-N 3.1Å; E139-S261 PolarHBondContact OE1-OG 3.21Å; E139-S261 WeakPolarHBondContact OE2-CB 3.14Å; E139-S261 PolarHBondContact OE2-OG 3.38Å; S261-E263 VanDerWaalsContact C-N 3.28Å; S261-E263 PolarHBondContact O-N 3.47Å; S261-L264 PolarHBondContact O-N 3.5Å; S261-L264 VanDerWaalsContact OG-CB 3.25Å; S261-L264 WeakPolarHBondContact OG-CB 3.46Å; S261-L264 PolarHBondContact OG-N 3.46Å; S261-K265 WeakPolarHBondContact O-CG 3.44Å; S261-K265 PolarHBondContact O-N 3.43Å
262N98.7Very high98.2Very high121 Ų12157.3 Ų57.365%0.64729%0.293SS*.Hα-helixtrans-65.8-37.1176.8-71.9-30.4000110.9K265 D266N262-K265 PolarHBondContact O-N 3.27Å; N262-D266 WeakPolarHBondContact O-CB 3.17Å; N262-D266 PolarHBondContact O-N 2.8Å
263E98.7Very high98.4Very high84 Ų8458.6 Ų58.639%0.39329%0.292SS..Hα-helixtrans-63.3-42.4175.7-65.171.5-159.700111.3S261 D266 L267 H293 K294 W295S261-E263 VanDerWaalsContact C-N 3.28Å; S261-E263 PolarHBondContact O-N 3.47Å; E263-D266 PolarHBondContact O-N 2.91Å; E263-L267 PolarHBondContact O-N 2.67Å; E263-H293 PolarHBondContact O-CE1 3.01Å; E263-K294 HydrophobicContact CG-CB 3.91Å; E263-W295 HydrophobicContact CB-CB 4.01Å; E263-W295 HydrophobicContact CB-CG 4.45Å
264L98.9Very high98.5Very high0 Ų052.6 Ų52.60%027%0.269CS..Hα-helixtrans-64.5-47.3176.3177.955.2000111.2E139 I227 A231 F260 S261 D266 L267 L268 W295E139-L264 HydrophobicContact CG-CD2 3.86Å; I227-L264 HydrophobicContact CG2-CD1 3.53Å; A231-L264 HydrophobicContact CB-CD2 3.86Å; F260-L264 HydrophobicContact CB-CD2 4.13Å; F260-L264 HydrophobicContact CD1-CD2 3.86Å; F260-L264 HydrophobicContact CD2-CD2 3.56Å; F260-L264 HydrophobicContact CD2-CG 3.85Å; F260-L264 HydrophobicContact CE1-CD2 4.11Å; F260-L264 HydrophobicContact CE2-CD2 3.83Å; F260-L264 HydrophobicContact CE2-CG 4.26Å; F260-L264 HydrophobicContact CG-CD2 3.57Å; F260-L264 HydrophobicContact CG-CG 4.21Å; F260-L264 HydrophobicContact CZ-CD2 4.09Å; S261-L264 PolarHBondContact O-N 3.5Å; S261-L264 VanDerWaalsContact OG-CB 3.25Å; S261-L264 WeakPolarHBondContact OG-CB 3.46Å; S261-L264 PolarHBondContact OG-N 3.46Å; L264-D266 VanDerWaalsContact C-N 3.28Å; L264-D266 PolarHBondContact O-N 3.39Å; L264-L267 PolarHBondContact O-N 3.08Å; L264-L268 HydrophobicContact CD1-CD1 3.74Å; L264-L268 HydrophobicContact CD1-CG 3.88Å; L264-L268 HydrophobicContact CG-CD1 3.86Å; L264-L268 HydrophobicContact CG-CG 4.4Å; L264-L268 WeakPolarHBondContact O-CB 3.3Å; L264-L268 VanDerWaalsContact O-CG 3.3Å; L264-L268 WeakPolarHBondContact O-CG 3.46Å; L264-L268 PolarHBondContact O-N 3Å; L264-W295 HydrophobicContact CD1-CD2 4.32Å; L264-W295 HydrophobicContact CD1-CZ2 3.91Å
265K98.8Very high98.5Very high45 Ų4553.9 Ų53.920%0.19628%0.275CS..Hα-helixtrans-58.3-41.7177.3-71170.1-175.8156.30111.4F256 P257 F260 S261 N262 K269F256-K265 HydrophobicContact CB-CD 4.27Å; F256-K265 HydrophobicContact CB-CG 4Å; F256-K265 HydrophobicContact CD1-CG 4.25Å; F256-K265 HydrophobicContact CD2-CG 4.29Å; F256-K265 HydrophobicContact CG-CG 3.91Å; P257-K265 WeakPolarHBondContact O-CE 3.5Å; F260-K265 HydrophobicContact CB-CD 4.35Å; F260-K265 HydrophobicContact CB-CG 3.93Å; F260-K265 WeakPolarHBondContact O-CE 3.46Å; F260-K265 PolarHBondContact O-NZ 3.46Å; S261-K265 WeakPolarHBondContact O-CG 3.44Å; S261-K265 PolarHBondContact O-N 3.43Å; N262-K265 PolarHBondContact O-N 3.27Å; K265-K269 WeakPolarHBondContact O-CB 3.39Å; K265-K269 VanDerWaalsContact O-CG 3.23Å; K265-K269 WeakPolarHBondContact O-CG 3.43Å; K265-K269 PolarHBondContact O-N 2.9Å
266D98.8Very high98.4Very high76 Ų7647.4 Ų47.441%0.40625%0.249SC..Hα-helixtrans-66-46.4179-166.849.7000111.8N262 E263 L264 L268 K269 N270 H293N262-D266 WeakPolarHBondContact O-CB 3.17Å; N262-D266 PolarHBondContact O-N 2.8Å; E263-D266 PolarHBondContact O-N 2.91Å; L264-D266 VanDerWaalsContact C-N 3.28Å; L264-D266 PolarHBondContact O-N 3.39Å; D266-L268 PolarHBondContact O-N 2.91Å; D266-K269 PolarHBondContact O-N 3.23Å; D266-N270 PolarHBondContact O-N 3.35Å; D266-N270 PolarHBondContact O-ND2 2.89Å; D266-H293 IonicContact OD2-CE1 2.7Å; D266-H293 IonicContact OD2-NE2 3.86Å; D266-H293 PolarHBondContact OD2-NE2 3.27Å; D266-H293 VanDerWaalsContact OD2-NE2 3.12Å
267L98.9Very high98.3Very high0 Ų049.8 Ų49.80%027%0.268CS..Hα-helixtrans-57.3-49.7174.9179.360.4000111.2I227 E263 L264 K269 N270 L271 H293 W295 F296I227-L267 HydrophobicContact CD1-CD2 4.11Å; E263-L267 PolarHBondContact O-N 2.67Å; L264-L267 PolarHBondContact O-N 3.08Å; L267-K269 VanDerWaalsContact C-N 3.35Å; L267-K269 PolarHBondContact O-N 3.46Å; L267-N270 PolarHBondContact O-N 3.03Å; L267-N270 VanDerWaalsContact O-N 3.08Å; L267-L271 HydrophobicContact CD1-CD1 3.97Å; L267-L271 HydrophobicContact CD1-CG 4.18Å; L267-L271 HydrophobicContact CD2-CD1 4.42Å; L267-L271 HydrophobicContact CG-CD1 3.89Å; L267-L271 HydrophobicContact CG-CG 4.43Å; L267-L271 PolarHBondContact O-N 3.26Å; L267-H293 HydrophobicContact CD1-CB 4.1Å; L267-H293 PolarHBondContact N-CE1 2.89Å; L267-W295 HydrophobicContact CB-CB 4.33Å; L267-W295 HydrophobicContact CD2-CB 4.12Å; L267-W295 HydrophobicContact CD2-CD2 3.97Å; L267-W295 HydrophobicContact CD2-CE3 3.46Å; L267-W295 VanDerWaalsContact CD2-CE3 3.46Å; L267-W295 HydrophobicContact CD2-CG 4.27Å; L267-W295 HydrophobicContact CD2-CZ3 4.12Å; L267-F296 HydrophobicContact CD2-CD2 4.23Å; L267-F296 HydrophobicContact CD2-CE2 3.7Å; L267-F296 HydrophobicContact CD2-CZ 4.47Å
268L98.9Very high98.3Very high0 Ų054.8 Ų54.80%029%0.289CS..Hα-helixtrans-64.5-37.5-177.1-71.2175.2000112.3G224 I227 Y228 F256 F260 L264 D266 N270 L271 L272G224-L268 WeakPolarHBondContact O-CD2 3.21Å; I227-L268 HydrophobicContact CB-CD2 3.94Å; I227-L268 HydrophobicContact CG2-CD2 3.84Å; I227-L268 HydrophobicContact CG2-CG 4.46Å; Y228-L268 HydrophobicContact CD2-CD1 4.04Å; F256-L268 HydrophobicContact CD1-CD1 4.19Å; F256-L268 HydrophobicContact CE1-CB 3.69Å; F256-L268 HydrophobicContact CE1-CD1 3.85Å; F256-L268 HydrophobicContact CE1-CG 4.44Å; F256-L268 HydrophobicContact CZ-CB 4.18Å; F260-L268 HydrophobicContact CD2-CD1 3.97Å; F260-L268 HydrophobicContact CE2-CD1 3.59Å; L264-L268 HydrophobicContact CD1-CD1 3.74Å; L264-L268 HydrophobicContact CD1-CG 3.88Å; L264-L268 HydrophobicContact CG-CD1 3.86Å; L264-L268 HydrophobicContact CG-CG 4.4Å; L264-L268 WeakPolarHBondContact O-CB 3.3Å; L264-L268 VanDerWaalsContact O-CG 3.3Å; L264-L268 WeakPolarHBondContact O-CG 3.46Å; L264-L268 PolarHBondContact O-N 3Å; D266-L268 PolarHBondContact O-N 2.91Å; L268-N270 PolarHBondContact O-N 3.48Å; L268-L271 PolarHBondContact O-N 3.13Å; L268-L272 WeakPolarHBondContact O-CA 3.48Å; L268-L272 VanDerWaalsContact O-CB 3.23Å; L268-L272 WeakPolarHBondContact O-CB 3.22Å; L268-L272 PolarHBondContact O-N 2.9Å
269K98.7Very high98.3Very high121 Ų12149.3 Ų49.353%0.52625%0.25SS..Hα-helixtrans-61.1-32.3173.4-77.1171-178.4179.20112.7F256 K265 D266 L267F256-K269 HydrophobicContact CE2-CG 3.95Å; F256-K269 HydrophobicContact CZ-CG 3.93Å; K265-K269 WeakPolarHBondContact O-CB 3.39Å; K265-K269 VanDerWaalsContact O-CG 3.23Å; K265-K269 WeakPolarHBondContact O-CG 3.43Å; K265-K269 PolarHBondContact O-N 2.9Å; D266-K269 PolarHBondContact O-N 3.23Å; L267-K269 VanDerWaalsContact C-N 3.35Å; L267-K269 PolarHBondContact O-N 3.46Å
270N98.7Very high98.3Very high34 Ų3447.5 Ų47.518%0.18224%0.241CC..Hα-helixtrans-84.6-26.2179.9-75.9-70000113.3D266 L267 L268 R279 Y280D266-N270 PolarHBondContact O-N 3.35Å; D266-N270 PolarHBondContact O-ND2 2.89Å; L267-N270 PolarHBondContact O-N 3.03Å; L267-N270 VanDerWaalsContact O-N 3.08Å; L268-N270 PolarHBondContact O-N 3.48Å; N270-R279 WeakPolarHBondContact O-CA 3.31Å; N270-Y280 HydrophobicContact CB-CD1 3.55Å; N270-Y280 HydrophobicContact CB-CD2 3.84Å; N270-Y280 HydrophobicContact CB-CE1 3.66Å; N270-Y280 HydrophobicContact CB-CE2 3.98Å; N270-Y280 HydrophobicContact CB-CG 3.63Å; N270-Y280 VanDerWaalsContact CG-CE1 3.48Å; N270-Y280 PolarHBondContact O-N 2.86Å; N270-Y280 VanDerWaalsContact OD1-CE1 3.26Å; N270-Y280 WeakPolarHBondContact OD1-CE1 3.45Å
271L98.8Very high98.3Very high0 Ų047.5 Ų47.50%024%0.242CC..Hα-helixtrans-84.3-47.3173.2-68.9174000112.4W220 L223 I227 L267 L268 Q273 R279 I290W220-L271 HydrophobicContact CB-CD2 4.39Å; L223-L271 HydrophobicContact CD2-CD1 4.31Å; L223-L271 HydrophobicContact CG-CD1 4.29Å; I227-L271 HydrophobicContact CD1-CD1 3.98Å; L267-L271 HydrophobicContact CD1-CD1 3.97Å; L267-L271 HydrophobicContact CD1-CG 4.18Å; L267-L271 HydrophobicContact CD2-CD1 4.42Å; L267-L271 HydrophobicContact CG-CD1 3.89Å; L267-L271 HydrophobicContact CG-CG 4.43Å; L267-L271 PolarHBondContact O-N 3.26Å; L268-L271 PolarHBondContact O-N 3.13Å; L271-Q273 PolarHBondContact O-N 2.87Å; L271-R279 WeakPolarHBondContact O-CD 3.39Å; L271-R279 WeakPolarHBondContact O-CG 3.38Å; L271-I290 HydrophobicContact CD2-CD1 3.76Å; L271-I290 HydrophobicContact CD2-CG1 4.05Å
272L98.8Very high98.3Very high9 Ų948.1 Ų48.15%0.04724%0.243CC..SBendtrans-80.540.4176.2-58.1177.8000111.5W221 V225 P236 F237 V254 L268W221-L272 HydrophobicContact CD2-CD2 4.09Å; W221-L272 HydrophobicContact CE3-CD2 4.39Å; W221-L272 HydrophobicContact CH2-CB 4.4Å; W221-L272 HydrophobicContact CZ2-CD2 4.24Å; W221-L272 HydrophobicContact CZ3-CB 4.23Å; W221-L272 WeakPolarHBondContact CZ3-O 3.46Å; V225-L272 HydrophobicContact CG2-CD2 3.72Å; P236-L272 HydrophobicContact CB-CD1 4.27Å; P236-L272 HydrophobicContact CG-CD1 4.19Å; F237-L272 HydrophobicContact CE2-CD2 4.49Å; V254-L272 HydrophobicContact CG1-CD1 4.24Å; V254-L272 HydrophobicContact CG2-CB 4.3Å; V254-L272 HydrophobicContact CG2-CD1 3.98Å; L268-L272 WeakPolarHBondContact O-CA 3.48Å; L268-L272 VanDerWaalsContact O-CB 3.23Å; L268-L272 WeakPolarHBondContact O-CB 3.22Å; L268-L272 PolarHBondContact O-N 2.9Å
273Q98.4Very high98.2Very high54 Ų5445 Ų4525%0.25223%0.225SC..  trans-91.9117.1-179.8178.252-98.900110L271 D275 K278 R279L271-Q273 PolarHBondContact O-N 2.87Å; Q273-D275 VanDerWaalsContact C-N 3.31Å; Q273-D275 HydrophobicContact CG-CB 4.36Å; Q273-D275 VanDerWaalsContact CG-O 3.32Å; Q273-D275 WeakPolarHBondContact CG-O 3.48Å; Q273-D275 PolarHBondContact O-N 2.88Å; Q273-K278 HydrophobicContact CG-CB 3.72Å; Q273-R279 HydrophobicContact CB-CB 4.11Å; Q273-R279 HydrophobicContact CB-CG 4.27Å; Q273-R279 HydrophobicContact CG-CB 4.46Å; Q273-R279 VanDerWaalsContact O-CZ 3.28Å; Q273-R279 PolarHBondContact O-NE 3.26Å; Q273-R279 PolarHBondContact O-NH2 3.07Å
274V98.1Very high98.1Very high48 Ų4850.9 Ų50.929%0.29125%0.25SC..SBendtrans-64.7-37.8179.4179.20000111.1P206 W221 G252 L276P206-V274 HydrophobicContact CB-CG1 4.05Å; P206-V274 HydrophobicContact CG-CB 4.38Å; P206-V274 HydrophobicContact CG-CG1 4.16Å; P206-V274 HydrophobicContact CG-CG2 4.06Å; W221-V274 HydrophobicContact CH2-CG2 4.34Å; W221-V274 HydrophobicContact CZ3-CG2 4.28Å; G252-V274 VanDerWaalsContact CA-CG2 3.49Å; V274-L276 PolarHBondContact O-N 3.46Å
275D97.1Very high98Very high56 Ų5655.9 Ų55.930%0.29928%0.277SS..SBendtrans-75.9103176.2-176.4-7.7000111.1Q273 T277 K278 R279Q273-D275 VanDerWaalsContact C-N 3.31Å; Q273-D275 HydrophobicContact CG-CB 4.36Å; Q273-D275 VanDerWaalsContact CG-O 3.32Å; Q273-D275 WeakPolarHBondContact CG-O 3.48Å; Q273-D275 PolarHBondContact O-N 2.88Å; D275-T277 VanDerWaalsContact CG-OG1 3.27Å; D275-T277 PolarHBondContact O-N 3.28Å; D275-T277 WeakPolarHBondContact OD1-CB 3.37Å; D275-T277 PolarHBondContact OD1-N 2.93Å; D275-T277 PolarHBondContact OD1-OG1 3.32Å; D275-T277 PolarHBondContact OD2-OG1 2.5Å; D275-K278 HydrophobicContact CB-CB 4.48Å; D275-K278 HydrophobicContact CB-CD 4.27Å; D275-K278 PolarHBondContact O-N 2.83Å; D275-K278 WeakPolarHBondContact OD2-CD 3.13Å; D275-K278 WeakPolarHBondContact OD2-CE 3.44Å; D275-K278 IonicContact OD2-NZ 3.95Å; D275-K278 PolarHBondContact OD2-NZ 2.81Å; D275-R279 PolarHBondContact O-N 3.19Å
276L95.4Very high97.9Very high44 Ų4454.6 Ų54.623%0.2328%0.276CS..THydrogen-bonded Turntrans-51.5-28.5178.7-77.3174.4000114.4E207 A217 V274 K278 N282E207-L276 HydrophobicContact CB-CD1 4.28Å; E207-L276 HydrophobicContact CG-CD1 4.23Å; E207-L276 WeakPolarHBondContact OE1-CD2 3.39Å; A217-L276 HydrophobicContact CB-CD2 3.65Å; V274-L276 PolarHBondContact O-N 3.46Å; L276-K278 PolarHBondContact O-N 2.82Å; L276-N282 PolarHBondContact O-ND2 3.26Å
277T96.4Very high97.8Very high104 Ų10452.2 Ų52.264%0.63826%0.264SS*.THydrogen-bonded Turntrans-73.9-11-179.6710000113.1D275 L283D275-T277 VanDerWaalsContact CG-OG1 3.27Å; D275-T277 PolarHBondContact O-N 3.28Å; D275-T277 WeakPolarHBondContact OD1-CB 3.37Å; D275-T277 PolarHBondContact OD1-N 2.93Å; D275-T277 PolarHBondContact OD1-OG1 3.32Å; D275-T277 PolarHBondContact OD2-OG1 2.5Å; T277-L283 WeakPolarHBondContact O-CD2 3.34Å
278K98.1Very high97.8Very high117 Ų11753.8 Ų53.851%0.50928%0.277SS..THydrogen-bonded Turntrans-117.7-6.9-179-64.8174.2-171.8145.80113Q273 D275 L276Q273-K278 HydrophobicContact CG-CB 3.72Å; D275-K278 HydrophobicContact CB-CB 4.48Å; D275-K278 HydrophobicContact CB-CD 4.27Å; D275-K278 PolarHBondContact O-N 2.83Å; D275-K278 WeakPolarHBondContact OD2-CD 3.13Å; D275-K278 WeakPolarHBondContact OD2-CE 3.44Å; D275-K278 IonicContact OD2-NZ 3.95Å; D275-K278 PolarHBondContact OD2-NZ 2.81Å; L276-K278 PolarHBondContact O-N 2.82Å
279R98.7Very high97.7Very high0 Ų055.1 Ų55.10%029%0.285CS..  trans-73127.7-177.4-166.5-179.9-60.3158.94.4111.4E207 A217 N270 L271 Q273 D275 N282 L283E207-R279 IonicContact OE1-CZ 3.79Å; E207-R279 IonicContact OE1-NH1 2.88Å; E207-R279 PolarHBondContact OE1-NH1 2.84Å; E207-R279 IonicContact OE1-NH2 3.64Å; E207-R279 IonicContact OE2-CZ 2.88Å; E207-R279 IonicContact OE2-NH1 3.57Å; E207-R279 PolarHBondContact OE2-NH1 2.96Å; E207-R279 IonicContact OE2-NH2 2.83Å; E207-R279 PolarHBondContact OE2-NH2 2.82Å; A217-R279 PolarHBondContact O-NH1 2.77Å; N270-R279 WeakPolarHBondContact O-CA 3.31Å; L271-R279 WeakPolarHBondContact O-CD 3.39Å; L271-R279 WeakPolarHBondContact O-CG 3.38Å; Q273-R279 HydrophobicContact CB-CB 4.11Å; Q273-R279 HydrophobicContact CB-CG 4.27Å; Q273-R279 HydrophobicContact CG-CB 4.46Å; Q273-R279 VanDerWaalsContact O-CZ 3.28Å; Q273-R279 PolarHBondContact O-NE 3.26Å; Q273-R279 PolarHBondContact O-NH2 3.07Å; D275-R279 PolarHBondContact O-N 3.19Å; R279-N282 PolarHBondContact O-N 3.08Å; R279-N282 VanDerWaalsContact O-N 3.14Å; R279-L283 WeakPolarHBondContact O-CG 3.49Å
280Y98.7Very high97.7Very high47 Ų4749.4 Ų49.418%0.18426%0.26CS..THydrogen-bonded Turntrans-58.9146.8174.2-86.726.6000111.6N270 N282 L283 D289 I290 H293N270-Y280 HydrophobicContact CB-CD1 3.55Å; N270-Y280 HydrophobicContact CB-CD2 3.84Å; N270-Y280 HydrophobicContact CB-CE1 3.66Å; N270-Y280 HydrophobicContact CB-CE2 3.98Å; N270-Y280 HydrophobicContact CB-CG 3.63Å; N270-Y280 VanDerWaalsContact CG-CE1 3.48Å; N270-Y280 PolarHBondContact O-N 2.86Å; N270-Y280 VanDerWaalsContact OD1-CE1 3.26Å; N270-Y280 WeakPolarHBondContact OD1-CE1 3.45Å; Y280-N282 PolarHBondContact O-N 2.77Å; Y280-L283 HydrophobicContact CD1-CD1 3.87Å; Y280-L283 HydrophobicContact CE1-CD1 4.12Å; Y280-D289 HydrophobicContact CD1-CB 4.29Å; Y280-D289 HydrophobicContact CD2-CB 3.93Å; Y280-D289 WeakPolarHBondContact CD2-O 3.4Å; Y280-D289 HydrophobicContact CE2-CB 4.14Å; Y280-D289 WeakPolarHBondContact CE2-O 3.26Å; Y280-D289 HydrophobicContact CG-CB 4.01Å; Y280-I290 HydrophobicContact CD2-CG1 4.38Å; Y280-H293 AromaticContact CE2-CD2 3.87Å
281G98.4Very high97.7Very high5 Ų548.9 Ų48.95%0.05226%0.256CS..THydrogen-bonded Turntrans83.5-19.9-171.300000114.2W220 G286W220-G281 PolarHBondContact NE1-O 3.36Å; G281-G286 WeakPolarHBondContact CA-O 3.37Å; G281-G286 PolarHBondContact N-O 2.83Å
282N97.9Very high97.6Very high45 Ų4552.9 Ų52.924%0.24128%0.277CS..SBendtrans-111.62.4177.7-165.856.2000113.8N215 A217 L276 R279 Y280N215-N282 PolarHBondContact ND2-OD1 3.11Å; A217-N282 HydrophobicContact CB-CB 3.8Å; L276-N282 PolarHBondContact O-ND2 3.26Å; R279-N282 PolarHBondContact O-N 3.08Å; R279-N282 VanDerWaalsContact O-N 3.14Å; Y280-N282 PolarHBondContact O-N 2.77Å
283L97.5Very high97.6Very high55 Ų5553 Ų5329%0.28828%0.278SS..SBendtrans-83.7-179175.5-50.9-175.9000111.6T277 R279 Y280 N285 G286 D289T277-L283 WeakPolarHBondContact O-CD2 3.34Å; R279-L283 WeakPolarHBondContact O-CG 3.49Å; Y280-L283 HydrophobicContact CD1-CD1 3.87Å; Y280-L283 HydrophobicContact CE1-CD1 4.12Å; L283-N285 VanDerWaalsContact C-N 3.28Å; L283-N285 PolarHBondContact O-N 3.26Å; L283-G286 WeakPolarHBondContact O-CA 3.34Å; L283-G286 PolarHBondContact O-N 3.32Å; L283-D289 WeakPolarHBondContact CB-OD2 3.31Å
284K96.8Very high97.6Very high208 Ų20858.3 Ų58.390%0.90430%0.3SS*.THydrogen-bonded Turntrans-56.2-36.6-179.9-173.4178.3178.3-178.80113.7G286K284-G286 VanDerWaalsContact C-N 3.32Å
285N95.9Very high97.6Very high105 Ų10556.2 Ų56.256%0.56129%0.286SS*.THydrogen-bonded Turntrans-87.3-3.4178.2-49.1-43.5000112.7L283 V287 A288 D289L283-N285 VanDerWaalsContact C-N 3.28Å; L283-N285 PolarHBondContact O-N 3.26Å; N285-V287 PolarHBondContact O-N 2.85Å; N285-A288 HydrophobicContact CB-CB 4.2Å; N285-A288 VanDerWaalsContact O-CB 3.27Å; N285-A288 WeakPolarHBondContact O-CB 3.39Å; N285-A288 PolarHBondContact O-N 3.44Å; N285-A288 VanDerWaalsContact O-N 3.11Å; N285-D289 WeakPolarHBondContact CB-OD1 3.23Å; N285-D289 PolarHBondContact ND2-OD1 3.18Å
286G96.8Very high97.7Very high18 Ų1853.7 Ų53.719%0.18627%0.273CS..THydrogen-bonded Turntrans55.6-129.417800000112.8G281 L283 K284 A288 D289G281-G286 WeakPolarHBondContact CA-O 3.37Å; G281-G286 PolarHBondContact N-O 2.83Å; L283-G286 WeakPolarHBondContact O-CA 3.34Å; L283-G286 PolarHBondContact O-N 3.32Å; K284-G286 VanDerWaalsContact C-N 3.32Å; G286-A288 PolarHBondContact O-N 3.46Å; G286-D289 PolarHBondContact O-N 2.99Å
287V97.8Very high97.8Very high26 Ų2654.9 Ų54.916%0.15830%0.296CS..THydrogen-bonded Turntrans-62.2-21.1-179.669.40000113.3V150 E154 W220 N285 D289 I290 K291V150-V287 HydrophobicContact CG1-CG2 3.74Å; E154-V287 HydrophobicContact CB-CG2 4.28Å; E154-V287 HydrophobicContact CG-CG1 4Å; E154-V287 WeakPolarHBondContact OE1-CG1 3.32Å; W220-V287 HydrophobicContact CH2-CB 4.2Å; W220-V287 HydrophobicContact CH2-CG2 3.53Å; W220-V287 HydrophobicContact CZ2-CB 4.07Å; W220-V287 HydrophobicContact CZ2-CG2 3.92Å; W220-V287 HydrophobicContact CZ3-CG2 4.36Å; N285-V287 PolarHBondContact O-N 2.85Å; V287-D289 PolarHBondContact O-N 2.82Å; V287-I290 WeakPolarHBondContact O-CB 3.37Å; V287-I290 PolarHBondContact O-N 3.46Å; V287-K291 HydrophobicContact CG1-CD 4.39Å; V287-K291 HydrophobicContact CG2-CD 4.02Å; V287-K291 HydrophobicContact CG2-CG 4.12Å; V287-K291 PolarHBondContact O-N 3.45Å
288A97.2Very high97.7Very high33 Ų3354.7 Ų54.727%0.27330%0.299SS..Hα-helixtrans-65.3-27.2179.600000112.6N285 G286 I290 N292N285-A288 HydrophobicContact CB-CB 4.2Å; N285-A288 VanDerWaalsContact O-CB 3.27Å; N285-A288 WeakPolarHBondContact O-CB 3.39Å; N285-A288 PolarHBondContact O-N 3.44Å; N285-A288 VanDerWaalsContact O-N 3.11Å; G286-A288 PolarHBondContact O-N 3.46Å; A288-I290 PolarHBondContact O-N 2.92Å; A288-N292 VanDerWaalsContact O-CB 3.24Å; A288-N292 WeakPolarHBondContact O-CB 3.45Å; A288-N292 PolarHBondContact O-N 2.98Å; A288-N292 PolarHBondContact O-ND2 3.47Å
289D98.2Very high97.7Very high29 Ų2950.1 Ų50.116%0.15528%0.281CS..Hα-helixtrans-65.4-32.1173.6-65.6-41.6000111.3Y280 L283 N285 G286 V287Y280-D289 HydrophobicContact CD1-CB 4.29Å; Y280-D289 HydrophobicContact CD2-CB 3.93Å; Y280-D289 WeakPolarHBondContact CD2-O 3.4Å; Y280-D289 HydrophobicContact CE2-CB 4.14Å; Y280-D289 WeakPolarHBondContact CE2-O 3.26Å; Y280-D289 HydrophobicContact CG-CB 4.01Å; L283-D289 WeakPolarHBondContact CB-OD2 3.31Å; N285-D289 WeakPolarHBondContact CB-OD1 3.23Å; N285-D289 PolarHBondContact ND2-OD1 3.18Å; G286-D289 PolarHBondContact O-N 2.99Å; V287-D289 PolarHBondContact O-N 2.82Å
290I98.7Very high97.6Very high0 Ų053.2 Ų53.20%030%0.297CS..Hα-helixtrans-77.6-52.1175-56.6171.8000109.8V150 W220 L271 Y280 V287 A288 N292 H293 F296V150-I290 HydrophobicContact CG1-CG2 4.45Å; V150-I290 HydrophobicContact CG2-CG2 3.82Å; W220-I290 HydrophobicContact CD2-CD1 3.6Å; W220-I290 HydrophobicContact CE3-CD1 3.25Å; W220-I290 HydrophobicContact CG-CD1 4.22Å; W220-I290 HydrophobicContact CH2-CD1 4.23Å; W220-I290 HydrophobicContact CZ3-CD1 3.6Å; L271-I290 HydrophobicContact CD2-CD1 3.76Å; L271-I290 HydrophobicContact CD2-CG1 4.05Å; Y280-I290 HydrophobicContact CD2-CG1 4.38Å; V287-I290 WeakPolarHBondContact O-CB 3.37Å; V287-I290 PolarHBondContact O-N 3.46Å; A288-I290 PolarHBondContact O-N 2.92Å; I290-N292 VanDerWaalsContact C-N 3.25Å; I290-N292 PolarHBondContact O-N 3.22Å; I290-H293 VanDerWaalsContact O-CB 3.26Å; I290-H293 WeakPolarHBondContact O-CB 3.42Å; I290-H293 PolarHBondContact O-N 2.88Å; I290-H293 VanDerWaalsContact O-N 3.08Å; I290-F296 HydrophobicContact CG2-CD2 4.29Å; I290-F296 HydrophobicContact CG2-CE2 3.75Å; I290-F296 VanDerWaalsContact O-CD2 3.32Å; I290-F296 WeakPolarHBondContact O-CD2 3.24Å
291K98.2Very high97.5Very high23 Ų2351.3 Ų51.310%0.129%0.29CS..Hα-helixtrans-63-30.1-174.9-69.4175.678.9167.60113.6V150 E154 V287 W301V150-K291 HydrophobicContact CG1-CD 4.27Å; V150-K291 HydrophobicContact CG1-CG 3.74Å; E154-K291 IonicContact OE1-NZ 2.64Å; E154-K291 PolarHBondContact OE1-NZ 3.01Å; E154-K291 IonicContact OE2-NZ 2.78Å; E154-K291 PolarHBondContact OE2-NZ 2.92Å; V287-K291 HydrophobicContact CG1-CD 4.39Å; V287-K291 HydrophobicContact CG2-CD 4.02Å; V287-K291 HydrophobicContact CG2-CG 4.12Å; V287-K291 PolarHBondContact O-N 3.45Å; K291-W301 VanDerWaalsContact CA-CZ2 3.42Å; K291-W301 HydrophobicContact CB-CD2 4.4Å; K291-W301 HydrophobicContact CB-CH2 4.35Å; K291-W301 HydrophobicContact CB-CZ2 3.69Å; K291-W301 HydrophobicContact CD-CD2 4.35Å; K291-W301 HydrophobicContact CD-CE3 4.48Å; K291-W301 HydrophobicContact CG-CD2 4.07Å; K291-W301 HydrophobicContact CG-CE3 4.23Å; K291-W301 HydrophobicContact CG-CH2 3.83Å; K291-W301 HydrophobicContact CG-CZ2 3.66Å; K291-W301 HydrophobicContact CG-CZ3 4.1Å; K291-W301 PolarHBondContact O-NE1 3.28Å
292N97.2Very high97.5Very high84 Ų8452.3 Ų52.345%0.44929%0.294SS..THydrogen-bonded Turntrans-93.6-2.4178.7-69.4-66.6000114K7 A288 I290K7-N292 WeakPolarHBondContact CE-OD1 3.34Å; K7-N292 PolarHBondContact NZ-OD1 2.9Å; A288-N292 VanDerWaalsContact O-CB 3.24Å; A288-N292 WeakPolarHBondContact O-CB 3.45Å; A288-N292 PolarHBondContact O-N 2.98Å; A288-N292 PolarHBondContact O-ND2 3.47Å; I290-N292 VanDerWaalsContact C-N 3.25Å; I290-N292 PolarHBondContact O-N 3.22Å
293H98.6Very high97.5Very high13 Ų1350.8 Ų50.86%0.0629%0.287CS..SBendtrans-61.5144.5178.9-172.1-90.2000111E263 D266 L267 Y280 I290 W295 F296 G297E263-H293 PolarHBondContact O-CE1 3.01Å; D266-H293 IonicContact OD2-CE1 2.7Å; D266-H293 IonicContact OD2-NE2 3.86Å; D266-H293 PolarHBondContact OD2-NE2 3.27Å; D266-H293 VanDerWaalsContact OD2-NE2 3.12Å; L267-H293 HydrophobicContact CD1-CB 4.1Å; L267-H293 PolarHBondContact N-CE1 2.89Å; Y280-H293 AromaticContact CE2-CD2 3.87Å; I290-H293 VanDerWaalsContact O-CB 3.26Å; I290-H293 WeakPolarHBondContact O-CB 3.42Å; I290-H293 PolarHBondContact O-N 2.88Å; I290-H293 VanDerWaalsContact O-N 3.08Å; H293-W295 WeakPolarHBondContact ND1-CB 3.34Å; H293-W295 PolarHBondContact ND1-N 3.01Å; H293-W295 PolarHBondContact O-N 3.43Å; H293-W295 VanDerWaalsContact O-N 3.11Å; H293-F296 PolarHBondContact O-N 3.31Å; H293-G297 PolarHBondContact O-N 3.24Å
294K98.4Very high97.5Very high164 Ų16448.4 Ų48.471%0.71328%0.275SS*.G310 helixtrans-55.2-34.6-176.1-69.6-178.1-179.2176.60113.3E263 F296 G297E263-K294 HydrophobicContact CG-CB 3.91Å; K294-F296 PolarHBondContact O-N 3.33Å; K294-G297 WeakPolarHBondContact O-CA 3.14Å; K294-G297 PolarHBondContact O-N 3.21Å
295W98.8Very high97.6Very high4 Ų440.7 Ų40.72%0.01524%0.24CC..G310 helixtrans-60.8-30.1176.7-166.875000112.9E139 R143 A146 I227 E263 L264 L267 H293E139-W295 HydrophobicContact CB-CZ2 4.34Å; E139-W295 PolarHBondContact OE2-NE1 3.08Å; R143-W295 HydrophobicContact CB-CE3 4.4Å; R143-W295 HydrophobicContact CB-CH2 3.55Å; R143-W295 HydrophobicContact CB-CZ2 3.92Å; R143-W295 HydrophobicContact CB-CZ3 3.79Å; R143-W295 WeakPolarHBondContact CD-O 3.36Å; R143-W295 HydrophobicContact CG-CE3 4.11Å; R143-W295 HydrophobicContact CG-CH2 4.14Å; R143-W295 HydrophobicContact CG-CZ3 3.85Å; R143-W295 PolarHBondContact NE-O 2.86Å; A146-W295 HydrophobicContact CB-CH2 4.38Å; A146-W295 HydrophobicContact CB-CZ3 4.07Å; I227-W295 HydrophobicContact CD1-CZ3 4.36Å; I227-W295 HydrophobicContact CG2-CH2 3.97Å; I227-W295 HydrophobicContact CG2-CZ2 4.42Å; I227-W295 HydrophobicContact CG2-CZ3 4.36Å; E263-W295 HydrophobicContact CB-CB 4.01Å; E263-W295 HydrophobicContact CB-CG 4.45Å; L264-W295 HydrophobicContact CD1-CD2 4.32Å; L264-W295 HydrophobicContact CD1-CZ2 3.91Å; L267-W295 HydrophobicContact CB-CB 4.33Å; L267-W295 HydrophobicContact CD2-CB 4.12Å; L267-W295 HydrophobicContact CD2-CD2 3.97Å; L267-W295 HydrophobicContact CD2-CE3 3.46Å; L267-W295 VanDerWaalsContact CD2-CE3 3.46Å; L267-W295 HydrophobicContact CD2-CG 4.27Å; L267-W295 HydrophobicContact CD2-CZ3 4.12Å; H293-W295 WeakPolarHBondContact ND1-CB 3.34Å; H293-W295 PolarHBondContact ND1-N 3.01Å; H293-W295 PolarHBondContact O-N 3.43Å; H293-W295 VanDerWaalsContact O-N 3.11Å
296F98.6Very high97.7Very high3 Ų339.6 Ų39.61%0.01323%0.232CC..G310 helixtrans-92.611.5172-72.4-73.7000113.1R143 A146 A147 V150 L267 I290 H293 K294 S298 T299 W301R143-F296 HydrophobicContact CG-CD1 3.73Å; R143-F296 HydrophobicContact CG-CE1 3.91Å; A146-F296 HydrophobicContact CB-CE1 4.14Å; A146-F296 HydrophobicContact CB-CZ 3.93Å; A147-F296 HydrophobicContact CB-CE1 4.15Å; V150-F296 HydrophobicContact CG2-CZ 4.16Å; L267-F296 HydrophobicContact CD2-CD2 4.23Å; L267-F296 HydrophobicContact CD2-CE2 3.7Å; L267-F296 HydrophobicContact CD2-CZ 4.47Å; I290-F296 HydrophobicContact CG2-CD2 4.29Å; I290-F296 HydrophobicContact CG2-CE2 3.75Å; I290-F296 VanDerWaalsContact O-CD2 3.32Å; I290-F296 WeakPolarHBondContact O-CD2 3.24Å; H293-F296 PolarHBondContact O-N 3.31Å; K294-F296 PolarHBondContact O-N 3.33Å; F296-S298 PolarHBondContact O-N 3.46Å; F296-T299 HydrophobicContact CD1-CG2 4.37Å; F296-T299 WeakPolarHBondContact CD1-OG1 3.41Å; F296-T299 WeakPolarHBondContact O-CB 3.41Å; F296-T299 PolarHBondContact O-N 3.45Å; F296-T299 PolarHBondContact O-OG1 3.03Å; F296-T299 VanDerWaalsContact O-OG1 3.09Å; F296-W301 HydrophobicContact CB-CH2 4.45Å; F296-W301 HydrophobicContact CB-CZ2 3.75Å; F296-W301 AromaticContact CD1-CH2 3.65Å; F296-W301 HydrophobicContact CD1-CH2 3.65Å; F296-W301 AromaticContact CD1-CZ2 3.79Å; F296-W301 HydrophobicContact CD1-CZ2 3.79Å; F296-W301 HydrophobicContact CD2-CH2 4.34Å; F296-W301 HydrophobicContact CD2-CZ2 4.32Å; F296-W301 AromaticContact CE1-CH2 3.87Å; F296-W301 HydrophobicContact CE1-CH2 3.87Å; F296-W301 HydrophobicContact CE1-CZ2 4.46Å; F296-W301 AromaticContact CG-CH2 3.91Å; F296-W301 HydrophobicContact CG-CH2 3.91Å; F296-W301 AromaticContact CG-CZ2 3.71Å; F296-W301 HydrophobicContact CG-CZ2 3.71Å; F296-W301 HydrophobicContact CZ-CH2 4.29Å
297G96.2Very high97.7Very high69 Ų6942 Ų4271%0.71124%0.237SC*.THydrogen-bonded Turntrans-57.8-26.5-171.400000115.3H293 K294H293-G297 PolarHBondContact O-N 3.24Å; K294-G297 WeakPolarHBondContact O-CA 3.14Å; K294-G297 PolarHBondContact O-N 3.21Å
298S95.3Very high97.8Very high100 Ų10047.7 Ų47.770%0.69926%0.26SS*.THydrogen-bonded Turntrans-95.26175.258.20000114.5F296F296-S298 PolarHBondContact O-N 3.46Å
299T97.6Very high97.8Very high22 Ų2249.2 Ų49.214%0.13526%0.262CS..  trans-87.4118.5-174.2-53.20000110.9R143 A147 F296 W301 I304R143-T299 WeakPolarHBondContact CD-OG1 3.48Å; A147-T299 HydrophobicContact CB-CG2 3.81Å; F296-T299 HydrophobicContact CD1-CG2 4.37Å; F296-T299 WeakPolarHBondContact CD1-OG1 3.41Å; F296-T299 WeakPolarHBondContact O-CB 3.41Å; F296-T299 PolarHBondContact O-N 3.45Å; F296-T299 PolarHBondContact O-OG1 3.03Å; F296-T299 VanDerWaalsContact O-OG1 3.09Å; T299-W301 HydrophobicContact CG2-CD2 4.01Å; T299-W301 HydrophobicContact CG2-CE3 4.21Å; T299-W301 HydrophobicContact CG2-CH2 4.28Å; T299-W301 HydrophobicContact CG2-CZ2 4.05Å; T299-W301 HydrophobicContact CG2-CZ3 4.37Å; T299-W301 PolarHBondContact O-N 3.31Å; T299-I304 HydrophobicContact CG2-CG1 4.28Å
300D96.7Very high97.8Very high64 Ų6456.4 Ų56.434%0.34230%0.295SS..  trans-88.299.4166.1-171.4-25.7000110I302 A303 I304D300-I302 VanDerWaalsContact C-N 3.31Å; D300-I302 PolarHBondContact O-N 3.38Å; D300-I302 PolarHBondContact OD1-N 2.99Å; D300-A303 HydrophobicContact CB-CB 3.81Å; D300-A303 PolarHBondContact O-N 2.86Å; D300-A303 PolarHBondContact OD1-N 3.43Å; D300-I304 WeakPolarHBondContact O-CG1 3.36Å; D300-I304 PolarHBondContact O-N 3.35Å
301W97.8Very high97.7Very high8 Ų857 Ų573%0.0330%0.3CS..Hα-helixtrans-60.7-36.1-177.5-62.1101000113.6F14 A147 V150 L151 K291 F296 T299 Y305F14-W301 HydrophobicContact CE2-CB 3.73Å; F14-W301 HydrophobicContact CZ-CB 4.15Å; A147-W301 HydrophobicContact CB-CE3 4.43Å; A147-W301 HydrophobicContact CB-CH2 4.23Å; A147-W301 HydrophobicContact CB-CZ3 3.81Å; V150-W301 HydrophobicContact CB-CH2 4.12Å; V150-W301 HydrophobicContact CB-CZ3 3.85Å; V150-W301 HydrophobicContact CG1-CH2 3.85Å; V150-W301 HydrophobicContact CG1-CZ3 3.69Å; V150-W301 HydrophobicContact CG2-CH2 4.42Å; L151-W301 HydrophobicContact CD1-CE3 4.22Å; L151-W301 HydrophobicContact CD2-CE3 3.86Å; L151-W301 HydrophobicContact CG-CE3 3.87Å; L151-W301 HydrophobicContact CG-CZ3 4.27Å; K291-W301 VanDerWaalsContact CA-CZ2 3.42Å; K291-W301 HydrophobicContact CB-CD2 4.4Å; K291-W301 HydrophobicContact CB-CH2 4.35Å; K291-W301 HydrophobicContact CB-CZ2 3.69Å; K291-W301 HydrophobicContact CD-CD2 4.35Å; K291-W301 HydrophobicContact CD-CE3 4.48Å; K291-W301 HydrophobicContact CG-CD2 4.07Å; K291-W301 HydrophobicContact CG-CE3 4.23Å; K291-W301 HydrophobicContact CG-CH2 3.83Å; K291-W301 HydrophobicContact CG-CZ2 3.66Å; K291-W301 HydrophobicContact CG-CZ3 4.1Å; K291-W301 PolarHBondContact O-NE1 3.28Å; F296-W301 HydrophobicContact CB-CH2 4.45Å; F296-W301 HydrophobicContact CB-CZ2 3.75Å; F296-W301 AromaticContact CD1-CH2 3.65Å; F296-W301 HydrophobicContact CD1-CH2 3.65Å; F296-W301 AromaticContact CD1-CZ2 3.79Å; F296-W301 HydrophobicContact CD1-CZ2 3.79Å; F296-W301 HydrophobicContact CD2-CH2 4.34Å; F296-W301 HydrophobicContact CD2-CZ2 4.32Å; F296-W301 AromaticContact CE1-CH2 3.87Å; F296-W301 HydrophobicContact CE1-CH2 3.87Å; F296-W301 HydrophobicContact CE1-CZ2 4.46Å; F296-W301 AromaticContact CG-CH2 3.91Å; F296-W301 HydrophobicContact CG-CH2 3.91Å; F296-W301 AromaticContact CG-CZ2 3.71Å; F296-W301 HydrophobicContact CG-CZ2 3.71Å; F296-W301 HydrophobicContact CZ-CH2 4.29Å; T299-W301 HydrophobicContact CG2-CD2 4.01Å; T299-W301 HydrophobicContact CG2-CE3 4.21Å; T299-W301 HydrophobicContact CG2-CH2 4.28Å; T299-W301 HydrophobicContact CG2-CZ2 4.05Å; T299-W301 HydrophobicContact CG2-CZ3 4.37Å; T299-W301 PolarHBondContact O-N 3.31Å; W301-Y305 WeakPolarHBondContact O-CB 3.3Å; W301-Y305 PolarHBondContact O-N 3.29Å
302I97.6Very high97.6Very high26 Ų2658.8 Ų58.813%0.13331%0.314CS..Hα-helixtrans-72.5-43.8178.6-68.9172.3000109.4Q10 F13 F14 D300 I304 Y305 Q306Q10-I302 HydrophobicContact CB-CD1 4.37Å; Q10-I302 HydrophobicContact CG-CD1 3.74Å; Q10-I302 HydrophobicContact CG-CG1 4Å; F13-I302 HydrophobicContact CB-CD1 4.12Å; F13-I302 HydrophobicContact CD1-CD1 4.31Å; F13-I302 HydrophobicContact CD1-CG1 3.93Å; F13-I302 HydrophobicContact CE1-CG1 4.39Å; F13-I302 HydrophobicContact CG-CD1 4.13Å; F13-I302 HydrophobicContact CG-CG1 4.26Å; F14-I302 HydrophobicContact CE2-CG1 4.16Å; D300-I302 VanDerWaalsContact C-N 3.31Å; D300-I302 PolarHBondContact O-N 3.38Å; D300-I302 PolarHBondContact OD1-N 2.99Å; I302-I304 VanDerWaalsContact C-N 3.32Å; I302-I304 PolarHBondContact O-N 2.83Å; I302-Y305 PolarHBondContact O-N 3.23Å; I302-Q306 HydrophobicContact CG2-CG 4.16Å; I302-Q306 WeakPolarHBondContact O-CB 3.31Å; I302-Q306 VanDerWaalsContact O-CG 3.32Å; I302-Q306 WeakPolarHBondContact O-CG 3.38Å; I302-Q306 PolarHBondContact O-N 3.29Å
303A97.5Very high97.5Very high12 Ų1256.9 Ų56.910%0.09930%0.302CS..Hα-helixtrans-63.9-38.2178.600000111.9D300 Q306 K307 K308 I309D300-A303 HydrophobicContact CB-CB 3.81Å; D300-A303 PolarHBondContact O-N 2.86Å; D300-A303 PolarHBondContact OD1-N 3.43Å; A303-Q306 PolarHBondContact O-N 2.85Å; A303-K307 PolarHBondContact O-N 2.86Å; A303-K308 HydrophobicContact CB-CB 4.25Å; A303-K308 PolarHBondContact O-N 2.82Å; A303-I309 HydrophobicContact CB-CD1 3.56Å; A303-I309 HydrophobicContact CB-CG1 3.84Å
304I98.3Very high97.4Very high6 Ų661.5 Ų61.53%0.03133%0.326CS..Hα-helixtrans-60-53.8171.3-68-72.5000110F101 F144 A147 Q148 L151 T299 D300 I302 Q306 K307 I309F101-I304 HydrophobicContact CE2-CG2 4.24Å; F101-I304 HydrophobicContact CZ-CG2 3.96Å; F101-I304 WeakPolarHBondContact CZ-O 3.46Å; F144-I304 HydrophobicContact CD2-CD1 3.6Å; F144-I304 HydrophobicContact CE2-CD1 3.82Å; A147-I304 HydrophobicContact CB-CG1 4.38Å; A147-I304 HydrophobicContact CB-CG2 4.36Å; Q148-I304 HydrophobicContact CG-CG2 3.75Å; L151-I304 HydrophobicContact CD1-CB 4.27Å; L151-I304 HydrophobicContact CD1-CG2 3.78Å; T299-I304 HydrophobicContact CG2-CG1 4.28Å; D300-I304 WeakPolarHBondContact O-CG1 3.36Å; D300-I304 PolarHBondContact O-N 3.35Å; I302-I304 VanDerWaalsContact C-N 3.32Å; I302-I304 PolarHBondContact O-N 2.83Å; I304-Q306 VanDerWaalsContact C-N 3.27Å; I304-Q306 PolarHBondContact O-N 3.38Å; I304-K307 WeakPolarHBondContact O-CA 3.44Å; I304-K307 PolarHBondContact O-N 3.42Å; I304-I309 HydrophobicContact CD1-CB 3.87Å; I304-I309 HydrophobicContact CD1-CG1 3.66Å; I304-I309 HydrophobicContact CD1-CG2 4.16Å; I304-I309 HydrophobicContact CG1-CG1 4.01Å
305Y98.1Very high97.2Very high45 Ų4554.1 Ų54.118%0.17630%0.295CS..Hα-helixtrans-54-42.4179171.6-100.3000112.8F13 F14 F17 F99 P100 W301 I302 K307F13-Y305 AromaticContact CE1-CD1 3.76Å; F13-Y305 HydrophobicContact CE1-CD1 3.76Å; F13-Y305 AromaticContact CE1-CE1 3.98Å; F13-Y305 HydrophobicContact CE1-CE1 3.98Å; F13-Y305 HydrophobicContact CE1-CG 4.48Å; F13-Y305 AromaticContact CZ-CD1 3.85Å; F13-Y305 HydrophobicContact CZ-CD1 3.85Å; F13-Y305 AromaticContact CZ-CE1 3.76Å; F13-Y305 HydrophobicContact CZ-CE1 3.76Å; F14-Y305 HydrophobicContact CE1-CD2 4.34Å; F14-Y305 HydrophobicContact CE1-CG 4.23Å; F17-Y305 HydrophobicContact CE1-CE2 4.44Å; F17-Y305 HydrophobicContact CE2-CE2 4.22Å; F17-Y305 AromaticContact CE2-CZ 3.94Å; F17-Y305 WeakPolarHBondContact CE2-OH 3.2Å; F17-Y305 HydrophobicContact CZ-CE2 4.11Å; F99-Y305 HydrophobicContact CD2-CE2 4.37Å; F99-Y305 HydrophobicContact CE2-CD2 4.02Å; F99-Y305 AromaticContact CE2-CE2 3.66Å; F99-Y305 HydrophobicContact CE2-CE2 3.66Å; F99-Y305 HydrophobicContact CZ-CD2 4Å; F99-Y305 HydrophobicContact CZ-CE2 4.12Å; P100-Y305 HydrophobicContact CG-CD2 4.07Å; P100-Y305 HydrophobicContact CG-CE2 3.62Å; W301-Y305 WeakPolarHBondContact O-CB 3.3Å; W301-Y305 PolarHBondContact O-N 3.29Å; I302-Y305 PolarHBondContact O-N 3.23Å; Y305-K307 PolarHBondContact O-N 3.25Å
306Q97.6Very high96.9Very high83 Ų8362.6 Ų62.639%0.38833%0.332SS..THydrogen-bonded Turntrans-79.24.4179.5-67.2-179.2-12.500113.8I302 A303 I304 K308I302-Q306 HydrophobicContact CG2-CG 4.16Å; I302-Q306 WeakPolarHBondContact O-CB 3.31Å; I302-Q306 VanDerWaalsContact O-CG 3.32Å; I302-Q306 WeakPolarHBondContact O-CG 3.38Å; I302-Q306 PolarHBondContact O-N 3.29Å; A303-Q306 PolarHBondContact O-N 2.85Å; I304-Q306 VanDerWaalsContact C-N 3.27Å; I304-Q306 PolarHBondContact O-N 3.38Å; Q306-K308 VanDerWaalsContact C-N 3.28Å; Q306-K308 HydrophobicContact CB-CD 4.01Å; Q306-K308 HydrophobicContact CB-CG 3.93Å; Q306-K308 PolarHBondContact O-N 3.14Å
307K98.2Very high96.6Very high69 Ų6964.6 Ų64.630%0.335%0.346SS..THydrogen-bonded Turntrans52.939.9-174.1-60.8-167.1173.6-170.90114.1F101 D174 Y178 A303 I304 Y305F101-K307 HydrophobicContact CE1-CG 4.18Å; D174-K307 IonicContact OD2-NZ 2.81Å; D174-K307 PolarHBondContact OD2-NZ 3.25Å; Y178-K307 HydrophobicContact CD1-CB 4.49Å; Y178-K307 HydrophobicContact CD1-CD 4.22Å; Y178-K307 HydrophobicContact CD1-CG 3.84Å; Y178-K307 HydrophobicContact CD2-CB 4.27Å; Y178-K307 HydrophobicContact CD2-CD 4.14Å; Y178-K307 HydrophobicContact CD2-CG 4.21Å; Y178-K307 HydrophobicContact CE1-CB 4.13Å; Y178-K307 HydrophobicContact CE1-CG 3.86Å; Y178-K307 HydrophobicContact CE2-CB 3.88Å; Y178-K307 HydrophobicContact CE2-CG 4.22Å; Y178-K307 HydrophobicContact CG-CD 3.94Å; Y178-K307 HydrophobicContact CG-CG 4.02Å; Y178-K307 VanDerWaalsContact CZ-CA 3.45Å; Y178-K307 VanDerWaalsContact OH-C 3.27Å; Y178-K307 VanDerWaalsContact OH-CA 3.26Å; Y178-K307 WeakPolarHBondContact OH-CA 3.32Å; A303-K307 PolarHBondContact O-N 2.86Å; I304-K307 WeakPolarHBondContact O-CA 3.44Å; I304-K307 PolarHBondContact O-N 3.42Å; Y305-K307 PolarHBondContact O-N 3.25Å
308K98Very high96.4Very high145 Ų14571.1 Ų71.163%0.6335%0.349SS*.  trans-99-4.7-178.1-71.2-177.9175.7171.40114.5A303 Q306A303-K308 HydrophobicContact CB-CB 4.25Å; A303-K308 PolarHBondContact O-N 2.82Å; Q306-K308 VanDerWaalsContact C-N 3.28Å; Q306-K308 HydrophobicContact CB-CD 4.01Å; Q306-K308 HydrophobicContact CB-CG 3.93Å; Q306-K308 PolarHBondContact O-N 3.14Å
309I97.7Very high96.2Very high64 Ų6467.7 Ų67.733%0.32833%0.33SS..SBendtrans-90132.5177-59.6-58000107.7F144 Y178 A303 I304 A311F144-I309 HydrophobicContact CD2-CG2 4Å; F144-I309 HydrophobicContact CE2-CB 4.18Å; F144-I309 HydrophobicContact CE2-CG2 4.02Å; Y178-I309 PolarHBondContact OH-N 2.62Å; Y178-I309 VanDerWaalsContact OH-N 3.09Å; Y178-I309 PolarHBondContact OH-O 3.49Å; A303-I309 HydrophobicContact CB-CD1 3.56Å; A303-I309 HydrophobicContact CB-CG1 3.84Å; I304-I309 HydrophobicContact CD1-CB 3.87Å; I304-I309 HydrophobicContact CD1-CG1 3.66Å; I304-I309 HydrophobicContact CD1-CG2 4.16Å; I304-I309 HydrophobicContact CG1-CG1 4.01Å; I309-A311 PolarHBondContact O-N 3.46Å
310E97.6Very high95.8Very high180 Ų18071.7 Ų71.784%0.84136%0.356SS*.PPolyproline II helixtrans-60.2125.2174.5-173.4176.6-179.200109.8
311A97.9Very high95.7Very high13 Ų1369.9 Ų69.911%0.10735%0.352CS..PPolyproline II helixtrans-71.2131.6-179.100000109.9F144 T176 I309 F313 L314F144-A311 HydrophobicContact CE1-CB 4.11Å; F144-A311 HydrophobicContact CZ-CB 3.87Å; T176-A311 WeakPolarHBondContact O-CB 2.81Å; I309-A311 PolarHBondContact O-N 3.46Å; A311-F313 PolarHBondContact O-N 3.01Å; A311-F313 VanDerWaalsContact O-N 3.15Å; A311-L314 HydrophobicContact CB-CD2 4.2Å
312P96.7Very high95.5Very high60 Ų6070.2 Ų70.239%0.3936%0.355SS..SBendtrans-70-9.9-178.429.7-38.6000113.9H141 F144H141-P312 HydrophobicContact CB-CB 4.39Å; H141-P312 HydrophobicContact CB-CG 4.45Å; H141-P312 WeakPolarHBondContact CD2-CB 3.15Å; H141-P312 WeakPolarHBondContact CD2-CG 3.39Å; H141-P312 PolarHBondContact CE1-O 2.98Å; H141-P312 VanDerWaalsContact NE2-CB 3.34Å; H141-P312 WeakPolarHBondContact NE2-CB 3.14Å; H141-P312 VanDerWaalsContact NE2-CG 3.3Å; H141-P312 WeakPolarHBondContact NE2-CG 3.33Å; H141-P312 PolarHBondContact NE2-O 3.24Å; F144-P312 HydrophobicContact CB-CG 4.05Å; F144-P312 HydrophobicContact CD1-CG 3.74Å; F144-P312 HydrophobicContact CE1-CG 4.38Å; F144-P312 HydrophobicContact CG-CG 3.95Å
313F94.9Very high95.4Very high45 Ų4569.5 Ų69.520%0.19735%0.353CS..  trans-146.4132.8173.8167.9-101000109.7H130 I134 H141 I173 G177 A311 P315H130-F313 HydrophobicContact CB-CE1 4.47Å; H130-F313 AromaticContact CD2-CE1 3.95Å; H130-F313 AromaticContact CE1-CE1 3.69Å; H130-F313 AromaticContact CE1-CZ 3.5Å; H130-F313 VanDerWaalsContact CE1-CZ 3.5Å; H130-F313 WeakPolarHBondContact CE1-CZ 2.96Å; H130-F313 AromaticContact CG-CE1 3.75Å; H130-F313 AromaticContact CG-CZ 3.9Å; H130-F313 AromaticContact ND1-CE1 3.6Å; H130-F313 AromaticContact ND1-CZ 3.28Å; H130-F313 VanDerWaalsContact ND1-CZ 3.28Å; H130-F313 WeakPolarHBondContact ND1-CZ 3.29Å; H130-F313 AromaticContact NE2-CE1 3.9Å; I134-F313 HydrophobicContact CD1-CD2 4.44Å; H141-F313 VanDerWaalsContact NE2-CB 3.33Å; H141-F313 WeakPolarHBondContact NE2-CB 3.36Å; I173-F313 HydrophobicContact CD1-CD1 4.04Å; I173-F313 HydrophobicContact CD1-CE1 4.13Å; I173-F313 HydrophobicContact CG2-CD1 4.49Å; G177-F313 VanDerWaalsContact CA-O 3.24Å; G177-F313 WeakPolarHBondContact CA-O 3.34Å; A311-F313 PolarHBondContact O-N 3.01Å; A311-F313 VanDerWaalsContact O-N 3.15Å; F313-P315 HydrophobicContact CE1-CB 4Å; F313-P315 HydrophobicContact CZ-CB 4.26Å
314L95.5Very high95.2Very high109 Ų10971.9 Ų71.957%0.57137%0.369SS*.  trans-114.8120.8172.5-66176.2000109T176 A311T176-L314 WeakPolarHBondContact O-CD2 3.41Å; A311-L314 HydrophobicContact CB-CD2 4.2Å
315P93.8Very high95Very high10 Ų1072.9 Ų72.97%0.06537%0.374CS..  trans-67.6149.1175.328.6-32.6000110.4I173 D174 F313 C317I173-P315 HydrophobicContact CG2-CG 4.07Å; D174-P315 WeakPolarHBondContact O-CD 3.29Å; D174-P315 VanDerWaalsContact O-CG 3.26Å; D174-P315 WeakPolarHBondContact O-CG 3.35Å; F313-P315 HydrophobicContact CE1-CB 4Å; F313-P315 HydrophobicContact CZ-CB 4.26Å; P315-C317 PolarHBondContact O-N 2.88Å
316K93.3Very high94.6Very high182 Ų18272.1 Ų72.179%0.79137%0.371SS*.  trans-74.6115.7173.7-67.4-178-179.7179.70108.5N325K316-N325 PolarHBondContact O-ND2 3.43Å
317C92.4Very high94.3Very high44 Ų4473.2 Ų73.230%0.29738%0.38SS..  trans-130117.9175.5-57.90000109.3S123 P315 G319S123-C317 PolarHBondContact OG-SG 3.24Å; S123-C317 VanDerWaalsContact OG-SG 3.33Å; P315-C317 PolarHBondContact O-N 2.88Å; C317-G319 VanDerWaalsContact C-N 3.34Å
318R91.1Very high94Very high207 Ų20776.8 Ų76.878%0.78140%0.402SS*.  trans-80.1-13.8-177.8-65.3176.7-75.6-179.6-0.2113.7D322R318-D322 HydrophobicContact CB-CB 4.34Å; R318-D322 VanDerWaalsContact CB-OD2 3.26Å; R318-D322 WeakPolarHBondContact CB-OD2 3.29Å; R318-D322 WeakPolarHBondContact CG-OD2 3.13Å; R318-D322 PolarHBondContact N-OD2 2.7Å; R318-D322 IonicContact NE-OD1 2.75Å; R318-D322 IonicContact NE-OD2 3.42Å; R318-D322 PolarHBondContact NE-OD2 2.7Å; R318-D322 IonicContact NH2-OD1 2.69Å; R318-D322 PolarHBondContact NH2-OD1 2.61Å
319G91.5Very high93.7Very high28 Ų2873.6 Ų73.629%0.28939%0.387SS..SBendtrans171.2-178.9178.300000113.2C317 G321 D322C317-G319 VanDerWaalsContact C-N 3.34Å; G319-G321 VanDerWaalsContact C-N 3.27Å; G319-G321 PolarHBondContact O-N 2.81Å; G319-D322 WeakPolarHBondContact O-CB 3.22Å; G319-D322 PolarHBondContact O-N 2.9Å; G319-D322 VanDerWaalsContact O-N 3.1Å
320P90.1Very high93.4Very high106 Ų10678.4 Ų78.469%0.68841%0.408SS*.THydrogen-bonded Turntrans-61.8-26.6-172.4-26.535.6000115.8Y67 F121Y67-P320 HydrophobicContact CD2-CB 3.8Å; Y67-P320 HydrophobicContact CE2-CB 4Å; F121-P320 WeakPolarHBondContact CD1-O 3.39Å
321G93.7Very high93.2Very high25 Ų2574 Ų7426%0.25839%0.387SS..THydrogen-bonded Turntrans-105.914.2177.300000113.9L58 G319 A323L58-G321 WeakPolarHBondContact CD2-O 3.47Å; G319-G321 VanDerWaalsContact C-N 3.27Å; G319-G321 PolarHBondContact O-N 2.81Å; G321-A323 PolarHBondContact O-N 3.26Å
322D95.3Very high92.8Very high16 Ų1678.9 Ų78.99%0.08641%0.408CS..  trans-72.6111.7-178.6-172.98.6000111F121 R318 G319 S324F121-D322 WeakPolarHBondContact CZ-O 3.25Å; R318-D322 HydrophobicContact CB-CB 4.34Å; R318-D322 VanDerWaalsContact CB-OD2 3.26Å; R318-D322 WeakPolarHBondContact CB-OD2 3.29Å; R318-D322 WeakPolarHBondContact CG-OD2 3.13Å; R318-D322 PolarHBondContact N-OD2 2.7Å; R318-D322 IonicContact NE-OD1 2.75Å; R318-D322 IonicContact NE-OD2 3.42Å; R318-D322 PolarHBondContact NE-OD2 2.7Å; R318-D322 IonicContact NH2-OD1 2.69Å; R318-D322 PolarHBondContact NH2-OD1 2.61Å; G319-D322 WeakPolarHBondContact O-CB 3.22Å; G319-D322 PolarHBondContact O-N 2.9Å; G319-D322 VanDerWaalsContact O-N 3.1Å; D322-S324 VanDerWaalsContact CG-OG 3.23Å; D322-S324 WeakPolarHBondContact OD1-CB 3.35Å; D322-S324 PolarHBondContact OD1-N 2.75Å; D322-S324 PolarHBondContact OD1-OG 3.48Å; D322-S324 PolarHBondContact OD2-OG 3.35Å; D322-S324 VanDerWaalsContact OD2-OG 3.08Å
323A94.2Very high92.4Very high11 Ų1180.9 Ų80.99%0.09142%0.421CS..  trans-103.421.9176.200000113K46 L48 L58 F121 G321 N325 F326K46-A323 HydrophobicContact CD-CB 4.38Å; L48-A323 HydrophobicContact CD2-CB 3.71Å; L58-A323 HydrophobicContact CD2-CB 4.17Å; F121-A323 HydrophobicContact CZ-CB 4.29Å; G321-A323 PolarHBondContact O-N 3.26Å; A323-N325 PolarHBondContact O-N 3.18Å; A323-F326 HydrophobicContact CB-CD2 4.29Å; A323-F326 PolarHBondContact O-N 3.34Å; A323-F326 VanDerWaalsContact O-N 3.09Å
324S93.9Very high92.3Very high62 Ų6281 Ų8143%0.43442%0.423SS..THydrogen-bonded Turntrans-69.9-12.6-179.657.90000115.4D322 F326D322-S324 VanDerWaalsContact CG-OG 3.23Å; D322-S324 WeakPolarHBondContact OD1-CB 3.35Å; D322-S324 PolarHBondContact OD1-N 2.75Å; D322-S324 PolarHBondContact OD1-OG 3.48Å; D322-S324 PolarHBondContact OD2-OG 3.35Å; D322-S324 VanDerWaalsContact OD2-OG 3.08Å; S324-F326 VanDerWaalsContact C-N 3.27Å
325N93.4Very high92.2Very high27 Ų2785.7 Ų85.714%0.14443%0.434CS..THydrogen-bonded Turntrans-875170.7-61.9-62.9000113.1S123 G124 K316 A323S123-N325 PolarHBondContact O-ND2 3.38Å; G124-N325 WeakPolarHBondContact O-CB 3.29Å; K316-N325 PolarHBondContact O-ND2 3.43Å; A323-N325 PolarHBondContact O-N 3.18Å
326F90.8Very high92.3Very high28 Ų2889 Ų8912%0.12345%0.45CS..SBendtrans-115147.9176.2-65-94.6000110.3K46 L48 F121 I122 A323 S324K46-F326 PolarHBondContact NZ-O 3.49Å; L48-F326 HydrophobicContact CB-CD1 4.12Å; L48-F326 HydrophobicContact CB-CE1 4.46Å; L48-F326 HydrophobicContact CD2-CB 4.15Å; L48-F326 HydrophobicContact CD2-CD1 4.18Å; L48-F326 HydrophobicContact CD2-CD2 3.9Å; L48-F326 HydrophobicContact CD2-CE2 4.34Å; L48-F326 HydrophobicContact CD2-CG 3.81Å; F121-F326 HydrophobicContact CE2-CD2 4.31Å; F121-F326 AromaticContact CE2-CE2 3.59Å; F121-F326 HydrophobicContact CE2-CE2 3.59Å; F121-F326 HydrophobicContact CE2-CZ 4.02Å; F121-F326 AromaticContact CZ-CE2 3.96Å; F121-F326 HydrophobicContact CZ-CE2 3.96Å; I122-F326 WeakPolarHBondContact O-CE2 3.16Å; I122-F326 VanDerWaalsContact O-CZ 3.23Å; I122-F326 WeakPolarHBondContact O-CZ 3.3Å; A323-F326 HydrophobicContact CB-CD2 4.29Å; A323-F326 PolarHBondContact O-N 3.34Å; A323-F326 VanDerWaalsContact O-N 3.09Å; S324-F326 VanDerWaalsContact C-N 3.27Å
327D89.9Confident92.4Very high107 Ų10782 Ų8257%0.57242%0.424SS*.  trans-63.5161.7176.3-66.2-24.4000111.6K46 Y329K46-D327 WeakPolarHBondContact CE-O 3.37Å; K46-D327 PolarHBondContact NZ-O 3.34Å; D327-Y329 HydrophobicContact CB-CE2 3.83Å
328D91.7Very high92.6Very high143 Ų14383.7 Ų83.777%0.76545%0.449SS*.  trans-91.3131.7173.1-68.3-49.7000109.7K46K46-D328 VanDerWaalsContact CE-OD1 3.31Å; K46-D328 WeakPolarHBondContact CE-OD1 3.14Å; K46-D328 IonicContact NZ-OD1 3.87Å; K46-D328 PolarHBondContact NZ-OD1 3.03Å
329Y93.5Very high92.9Very high78 Ų7877.6 Ų77.631%0.30644%0.435SS..  trans-122.4155.9179.7-66.3-91.8000110.2T47 L48 T50 D327 E331T47-Y329 HydrophobicContact CG2-CD2 4.35Å; T47-Y329 HydrophobicContact CG2-CG 4.13Å; L48-Y329 WeakPolarHBondContact O-CE2 3.44Å; T50-Y329 HydrophobicContact CG2-CD1 3.87Å; T50-Y329 HydrophobicContact CG2-CE1 4.41Å; T50-Y329 HydrophobicContact CG2-CG 4.4Å; D327-Y329 HydrophobicContact CB-CE2 3.83Å; Y329-E331 PolarHBondContact O-N 3.08Å
330E91.6Very high93.2Very high165 Ų16580.4 Ų80.477%0.77144%0.44SS*.  trans-68.6128172.7-169.4176.5178.700110.8
331E92.6Very high93.6Very high88 Ų8878.2 Ų78.241%0.41142%0.42SS..  trans-79.9122.5176.8-60.9-59163.200110.1K46 T47 Y329K46-E331 WeakPolarHBondContact CA-OE1 3.26Å; T47-E331 PolarHBondContact N-OE1 3.08Å; T47-E331 PolarHBondContact N-OE2 3.17Å; T47-E331 PolarHBondContact OG1-OE2 2.92Å; Y329-E331 PolarHBondContact O-N 3.08Å
332E88.4Confident93.7Very high115 Ų11578.4 Ų78.454%0.53742%0.417SS..  trans-109.8143.1172.5-56177.4163.500109.8R55 L334R55-E332 IonicContact CZ-OE2 3.3Å; R55-E332 IonicContact NH2-OE1 3.64Å; R55-E332 IonicContact NH2-OE2 2.68Å; R55-E332 PolarHBondContact NH2-OE2 3.29Å; E332-L334 PolarHBondContact O-N 3.08Å
333P90.1Very high93.8Very high103 Ų10380.2 Ų80.267%0.66943%0.434SS*.  trans-64.6129.5175.625.6-32.8000111.2R335P333-R335 PolarHBondContact O-N 2.95Å
334L92.4Very high94Very high46 Ų4688.6 Ų88.624%0.24147%0.469CS..  trans-73.7105.3173.7-17664000110.2L39 I72 Y116 E332L39-L334 HydrophobicContact CD1-CD2 4.28Å; L39-L334 HydrophobicContact CD2-CD2 3.75Å; I72-L334 HydrophobicContact CD1-CD2 4.19Å; I72-L334 HydrophobicContact CG2-CD1 3.78Å; Y116-L334 HydrophobicContact CE1-CD2 4.08Å; E332-L334 PolarHBondContact O-N 3.08Å
335R92.3Very high94.2Very high208 Ų20889.5 Ų89.579%0.78547%0.466SS*.  trans-89.8128.2178.6-62.9-173.4-177.3-170.31.3110.7P333P333-R335 PolarHBondContact O-N 2.95Å
336I96.4Very high94.4Very high79 Ų7988.3 Ų88.341%0.40546%0.459SS..  trans-113.5122.7174.5-56.2169.1000107.9L39 D111 N112L39-I336 HydrophobicContact CD2-CD1 3.63Å; D111-I336 HydrophobicContact CB-CG2 4.3Å; D111-I336 WeakPolarHBondContact OD2-CD1 3.44Å; D111-I336 WeakPolarHBondContact OD2-CG1 3.44Å; N112-I336 HydrophobicContact CB-CG2 4.14Å
337S96.2Very high94.6Very high37 Ų3789.8 Ų89.826%0.25948%0.477SS..  trans-66.2146.8178.5-172.20000111.3N112 S113 T339 K341N112-S337 WeakPolarHBondContact CB-O 3.46Å; N112-S337 PolarHBondContact ND2-O 2.95Å; S113-S337 VanDerWaalsContact OG-CB 3.26Å; S113-S337 WeakPolarHBondContact OG-CB 3.43Å; S113-S337 PolarHBondContact OG-N 2.97Å; S337-T339 WeakPolarHBondContact CB-O 3.44Å; S337-T339 PolarHBondContact O-N 3.46Å; S337-T339 PolarHBondContact OG-N 3.26Å; S337-T339 PolarHBondContact OG-O 2.81Å; S337-T339 PolarHBondContact OG-OG1 3Å; S337-K341 WeakPolarHBondContact OG-CE 3.46Å
338G96.6Very high94.9Very high79 Ų7991.1 Ų91.181%0.81448%0.479SS*.SBendtrans-69.6-7168.500000114.2
339T96.8Very high95.1Very high79 Ų7984.3 Ų84.349%0.48544%0.443SS..SBendtrans-126.4136.817957.60000110.6S337 K341S337-T339 WeakPolarHBondContact CB-O 3.44Å; S337-T339 PolarHBondContact O-N 3.46Å; S337-T339 PolarHBondContact OG-N 3.26Å; S337-T339 PolarHBondContact OG-O 2.81Å; S337-T339 PolarHBondContact OG-OG1 3Å; T339-K341 PolarHBondContact O-N 3.09Å; T339-K341 WeakPolarHBondContact OG1-CE 3.29Å; T339-K341 PolarHBondContact OG1-NZ 2.73Å
340E97.8Very high95.2Very high86 Ų8684.7 Ų84.740%0.40245%0.45SS..  trans-60.1130177.2179.465.8-14200111.7K75 N112 A343K75-E340 IonicContact NZ-OE1 2.61Å; K75-E340 PolarHBondContact NZ-OE1 3.03Å; K75-E340 IonicContact NZ-OE2 3.91Å; N112-E340 WeakPolarHBondContact CA-OE2 3.37Å; N112-E340 PolarHBondContact OD1-OE2 3.08Å; N112-E340 VanDerWaalsContact OD1-OE2 3.14Å; E340-A343 HydrophobicContact CG-CB 3.65Å
341K97.8Very high95.4Very high61 Ų6180.4 Ų80.427%0.26543%0.433SS..  trans-109.5138.6177.7-55.5-52.2-174.2-168.70110.2K75 Q76 N112 S337 T339 A343K75-K341 WeakPolarHBondContact CD-O 2.96Å; Q76-K341 HydrophobicContact CG-CB 4.08Å; Q76-K341 HydrophobicContact CG-CG 4.33Å; N112-K341 VanDerWaalsContact O-CB 3.31Å; N112-K341 WeakPolarHBondContact O-CB 3.22Å; N112-K341 WeakPolarHBondContact O-CG 3.44Å; N112-K341 PolarHBondContact O-N 3.31Å; S337-K341 WeakPolarHBondContact OG-CE 3.46Å; T339-K341 PolarHBondContact O-N 3.09Å; T339-K341 WeakPolarHBondContact OG1-CE 3.29Å; T339-K341 PolarHBondContact OG1-NZ 2.73Å; K341-A343 PolarHBondContact O-N 3.09Å
342C97.2Very high95.5Very high28 Ų2880 Ų8019%0.18943%0.434CS..SBendtrans54.235.6172.2-50.70000114.1K75 V79 K344 E345 F346K75-C342 HydrophobicContact CB-CB 4.06Å; V79-C342 HydrophobicContact CG2-CB 4.06Å; C342-K344 VanDerWaalsContact C-N 3.26Å; C342-K344 PolarHBondContact O-N 2.89Å; C342-E345 WeakPolarHBondContact CA-OE2 3.34Å; C342-E345 HydrophobicContact CB-CB 4.41Å; C342-E345 PolarHBondContact O-N 3.41Å; C342-F346 HydrophobicContact CB-CD2 3.74Å; C342-F346 HydrophobicContact CB-CE2 3.71Å; C342-F346 WeakPolarHBondContact O-CD2 3.45Å; C342-F346 PolarHBondContact O-N 3.3Å
343A96.7Very high95.9Very high54 Ų5477.9 Ų77.945%0.44643%0.428SS..THydrogen-bonded Turntrans-56.7-40.7-176.200000112.6E340 K341 A347E340-A343 HydrophobicContact CG-CB 3.65Å; K341-A343 PolarHBondContact O-N 3.09Å; A343-A347 PolarHBondContact O-N 2.85Å; A343-A347 VanDerWaalsContact O-N 3.08Å
344K97.4Very high96.3Very high188 Ų18876.4 Ų76.482%0.81741%0.413SS*.THydrogen-bonded Turntrans-68.8-42.3-176.3-175.8-179.4177-1780111.2C342 F346C342-K344 VanDerWaalsContact C-N 3.26Å; C342-K344 PolarHBondContact O-N 2.89Å; K344-F346 VanDerWaalsContact C-N 3.3Å; K344-F346 PolarHBondContact O-N 3.2Å
345E98Very high96.6Very high81 Ų8178.4 Ų78.438%0.37943%0.425SS..THydrogen-bonded Turntrans-67.2-32.2-178.4-65.683.717100112.1V79 V84 C342V79-E345 HydrophobicContact CG2-CB 4.17Å; V79-E345 HydrophobicContact CG2-CG 4.01Å; V84-E345 HydrophobicContact CG1-CB 4.18Å; V84-E345 WeakPolarHBondContact CG1-O 3.16Å; V84-E345 HydrophobicContact CG2-CB 4.42Å; C342-E345 WeakPolarHBondContact CA-OE2 3.34Å; C342-E345 HydrophobicContact CB-CB 4.41Å; C342-E345 PolarHBondContact O-N 3.41Å
346F97.6Very high96.9Very high1 Ų169.1 Ų69.10%0.00440%0.399CS..THydrogen-bonded Turntrans-114.424.8-176.9-57.2-67.6000113.7K75 V78 V79 V84 L88 K110 L115 C342 K344 E348 F349K75-F346 HydrophobicContact CB-CD2 3.95Å; K75-F346 HydrophobicContact CB-CE2 3.65Å; K75-F346 HydrophobicContact CD-CD2 3.95Å; K75-F346 HydrophobicContact CG-CD2 3.7Å; K75-F346 HydrophobicContact CG-CE2 3.84Å; V78-F346 HydrophobicContact CB-CE1 4.5Å; V78-F346 HydrophobicContact CB-CZ 3.82Å; V78-F346 HydrophobicContact CG1-CE1 3.79Å; V78-F346 HydrophobicContact CG1-CZ 3.5Å; V78-F346 VanDerWaalsContact CG1-CZ 3.5Å; V79-F346 HydrophobicContact CG2-CE2 3.78Å; V79-F346 HydrophobicContact CG2-CZ 3.98Å; V84-F346 HydrophobicContact CB-CE1 4.37Å; V84-F346 HydrophobicContact CG1-CD1 4.44Å; V84-F346 HydrophobicContact CG1-CE1 3.98Å; V84-F346 HydrophobicContact CG1-CZ 4.48Å; V84-F346 HydrophobicContact CG2-CE1 4.24Å; V84-F346 HydrophobicContact CG2-CZ 4Å; L88-F346 HydrophobicContact CD2-CD1 4.33Å; K110-F346 PolarHBondContact NZ-O 3.35Å; L115-F346 HydrophobicContact CD1-CD1 3.54Å; L115-F346 HydrophobicContact CD1-CD2 4.45Å; L115-F346 HydrophobicContact CD1-CE1 3.58Å; L115-F346 HydrophobicContact CD1-CE2 4.49Å; L115-F346 HydrophobicContact CD1-CG 4Å; L115-F346 HydrophobicContact CD1-CZ 4.08Å; L115-F346 HydrophobicContact CD2-CB 3.92Å; L115-F346 HydrophobicContact CD2-CD1 4.22Å; L115-F346 HydrophobicContact CD2-CD2 4.42Å; L115-F346 HydrophobicContact CD2-CG 3.93Å; L115-F346 HydrophobicContact CG-CD1 4.47Å; L115-F346 HydrophobicContact CG-CG 4.49Å; C342-F346 HydrophobicContact CB-CD2 3.74Å; C342-F346 HydrophobicContact CB-CE2 3.71Å; C342-F346 WeakPolarHBondContact O-CD2 3.45Å; C342-F346 PolarHBondContact O-N 3.3Å; K344-F346 VanDerWaalsContact C-N 3.3Å; K344-F346 PolarHBondContact O-N 3.2Å; F346-E348 PolarHBondContact O-N 2.81Å; F346-F349 HydrophobicContact CB-CB 4.16Å; F346-F349 WeakPolarHBondContact O-CB 3.48Å; F346-F349 PolarHBondContact O-N 3.23Å; F346-F349 VanDerWaalsContact O-N 3.17Å
347A96.7Very high96.9Very high59 Ų5968.4 Ų68.449%0.48840%0.399SS..THydrogen-bonded Turntrans-56.5-41179.400000111.9K110 A343K110-A347 PolarHBondContact NZ-O 3.31Å; A343-A347 PolarHBondContact O-N 2.85Å; A343-A347 VanDerWaalsContact O-N 3.08Å
348E94.7Very high97Very high135 Ų13571 Ų7163%0.63141%0.41SS*.THydrogen-bonded Turntrans-83.3-7.2-178.5-62.3-173.1176.300115Q34 F346Q34-E348 PolarHBondContact NE2-O 3.42Å; F346-E348 PolarHBondContact O-N 2.81Å
349F96.7Very high97Very high1 Ų170.3 Ų70.30%0.00437%0.374CS..  trans-60.60-179.8-171.7-82000111.3T87 L88 K91 F109 K110 L115 M117 F346T87-F349 HydrophobicContact CG2-CD2 4.42Å; T87-F349 HydrophobicContact CG2-CE2 4.08Å; L88-F349 HydrophobicContact CD2-CB 3.82Å; L88-F349 HydrophobicContact CD2-CD2 4.21Å; K91-F349 HydrophobicContact CB-CD2 4.32Å; K91-F349 HydrophobicContact CB-CE2 3.85Å; K91-F349 HydrophobicContact CB-CZ 4.31Å; K91-F349 WeakPolarHBondContact CD-OXT 3.46Å; K91-F349 WeakPolarHBondContact CE-OXT 3.11Å; K91-F349 HydrophobicContact CG-CD2 4.37Å; K91-F349 HydrophobicContact CG-CE1 4.43Å; K91-F349 HydrophobicContact CG-CE2 3.94Å; K91-F349 HydrophobicContact CG-CZ 3.97Å; K91-F349 PolarHBondContact NZ-OXT 3.38Å; F109-F349 WeakPolarHBondContact O-CE1 3.42Å; K110-F349 HydrophobicContact CB-CD1 4.35Å; K110-F349 HydrophobicContact CD-CB 4.13Å; K110-F349 HydrophobicContact CD-CD1 4.36Å; K110-F349 PolarHBondContact NZ-O 3.45Å; L115-F349 HydrophobicContact CB-CD1 4.36Å; L115-F349 HydrophobicContact CB-CD2 4.22Å; L115-F349 HydrophobicContact CB-CE1 3.92Å; L115-F349 HydrophobicContact CB-CE2 3.77Å; L115-F349 HydrophobicContact CB-CZ 3.61Å; L115-F349 HydrophobicContact CD1-CD2 3.81Å; L115-F349 HydrophobicContact CD1-CE2 3.91Å; L115-F349 HydrophobicContact CD1-CG 4.43Å; L115-F349 HydrophobicContact CD2-CB 4.14Å; L115-F349 HydrophobicContact CD2-CD1 3.9Å; L115-F349 HydrophobicContact CD2-CD2 3.96Å; L115-F349 HydrophobicContact CD2-CE1 4.32Å; L115-F349 HydrophobicContact CD2-CE2 4.37Å; L115-F349 HydrophobicContact CD2-CG 3.71Å; L115-F349 HydrophobicContact CG-CD2 4.21Å; L115-F349 HydrophobicContact CG-CE2 4.22Å; L115-F349 HydrophobicContact CG-CG 4.43Å; L115-F349 HydrophobicContact CG-CZ 4.45Å; M117-F349 HydrophobicContact CG-CZ 3.85Å; F346-F349 HydrophobicContact CB-CB 4.16Å; F346-F349 WeakPolarHBondContact O-CB 3.48Å; F346-F349 PolarHBondContact O-N 3.23Å; F346-F349 VanDerWaalsContact O-N 3.17Å

Retrieved 349 of 349 residues in 1975.9 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).