A0A087YJJ9_POEFO Loading...

Aspartyl aminopeptidase

Aminopeptidase with specificity towards an acidic amino acid at the N-terminus. Likely to play an important role in intracellular protein and peptide metabolism.

AlphaFold DB , UniProt , Accession A0A087YJJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.5Very low68.1Low240 Ų240120.8 Ų120.8100%1.18262%0.616SS**  081.40-105.9179.9-17900108.5
2L31.4Very low70.6Confident165 Ų165112.3 Ų112.386%0.86457%0.572SS**  trans-116.477.3165.5-105.3135.6000104.6L4L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.43Å
3T42.1Very low72.8Confident122 Ų122107.8 Ų107.875%0.74856%0.562SS**  trans-66103.2168.1-30000105.1I5T3-I5 PolarHBondContact O-N 3.02Å
4L45.8Very low74.6Confident118 Ų118101.1 Ų101.162%0.61853%0.53SS*.  trans-58.396.8164.3-144.497.7000104.8L2 M6L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.43Å; L4-M6 PolarHBondContact O-N 3.21Å
5I53.2Low76.2Confident149 Ų14994.4 Ų94.476%0.76450%0.495SS*.  trans-64.494.7165.9-64.9176.7000103.1T3 K7T3-I5 PolarHBondContact O-N 3.02Å; I5-K7 PolarHBondContact O-N 2.94Å
6M68.9Low77.7Confident47 Ų4795.1 Ų95.123%0.23249%0.493CS..  trans-56.4115174.8-62.8177.373.300105.4L4 K8 V11 L449 Q450L4-M6 PolarHBondContact O-N 3.21Å; M6-K8 PolarHBondContact O-N 3.06Å; M6-V11 HydrophobicContact CB-CG2 3.81Å; M6-V11 HydrophobicContact CE-CG2 4.19Å; M6-L449 HydrophobicContact CE-CB 3.47Å; M6-L449 VanDerWaalsContact CE-CB 3.47Å; M6-L449 HydrophobicContact CE-CD2 3.29Å; M6-L449 HydrophobicContact CE-CG 3.2Å; M6-Q450 HydrophobicContact CE-CG 3.86Å; M6-Q450 HydrophobicContact SD-CG 3.54Å; M6-Q450 VanDerWaalsContact SD-CG 3.54Å
7K88.2Confident78.9Confident155 Ų15593.7 Ų93.767%0.67448%0.483SS*.  trans-57.9132-179-67-175.1179.7-179.60107.7I5 E9 A10 V11I5-K7 PolarHBondContact O-N 2.94Å; K7-E9 PolarHBondContact O-N 2.85Å; K7-E9 VanDerWaalsContact O-N 3.1Å; K7-A10 WeakPolarHBondContact O-CB 3.33Å; K7-A10 PolarHBondContact O-N 3.22Å; K7-V11 PolarHBondContact O-N 3.18Å
8K94.1Very high80Confident140 Ų14088.5 Ų88.561%0.60946%0.457SS*.Hα-helixtrans-49.6-40.7-178.2177.8-177.8175.4-178.50111M6 A10 V11 Q12M6-K8 PolarHBondContact O-N 3.06Å; K8-A10 VanDerWaalsContact C-N 3.34Å; K8-A10 PolarHBondContact O-N 3.15Å; K8-V11 PolarHBondContact O-N 3.38Å; K8-Q12 HydrophobicContact CG-CG 4.24Å; K8-Q12 WeakPolarHBondContact O-CB 3.5Å; K8-Q12 WeakPolarHBondContact O-CG 3.4Å; K8-Q12 PolarHBondContact O-N 3.45Å
9E96.9Very high81Confident134 Ų13484.8 Ų84.863%0.62644%0.438SS*.Hα-helixtrans-60.7-41.7-179.9-6170.8-150.300112K7 Q12 A13K7-E9 PolarHBondContact O-N 2.85Å; K7-E9 VanDerWaalsContact O-N 3.1Å; E9-Q12 PolarHBondContact O-N 3.06Å; E9-A13 VanDerWaalsContact O-CB 3.29Å; E9-A13 WeakPolarHBondContact O-CB 3.41Å; E9-A13 PolarHBondContact O-N 3.12Å
10A97.8Very high81.9Confident45 Ų4584.6 Ų84.637%0.37244%0.435SS..Hα-helixtrans-68.8-41.917900000111.6K7 K8 Q12 A13 A14 L449K7-A10 WeakPolarHBondContact O-CB 3.33Å; K7-A10 PolarHBondContact O-N 3.22Å; K8-A10 VanDerWaalsContact C-N 3.34Å; K8-A10 PolarHBondContact O-N 3.15Å; A10-Q12 VanDerWaalsContact C-N 3.34Å; A10-Q12 PolarHBondContact O-N 3.21Å; A10-A13 PolarHBondContact O-N 3Å; A10-A14 PolarHBondContact O-N 3.08Å; A10-L449 HydrophobicContact CB-CD2 3.74Å
11V98.3Very high82.7Confident14 Ų1480.6 Ų80.69%0.08541%0.414CS..Hα-helixtrans-59.7-47.4175.21690000110.8M6 K7 K8 A14 A15 L449M6-V11 HydrophobicContact CB-CG2 3.81Å; M6-V11 HydrophobicContact CE-CG2 4.19Å; K7-V11 PolarHBondContact O-N 3.18Å; K8-V11 PolarHBondContact O-N 3.38Å; V11-A14 PolarHBondContact O-N 3.17Å; V11-A15 WeakPolarHBondContact O-CB 3.38Å; V11-A15 PolarHBondContact O-N 3.21Å; V11-L449 HydrophobicContact CG2-CD2 4.23Å
12Q98.4Very high85.8Confident19 Ų1969.1 Ų69.19%0.08936%0.358CS..Hα-helixtrans-66.7-39.6-179.5-71.7-69.6-36.400112.1K8 E9 A10 A15 K16 E253K8-Q12 HydrophobicContact CG-CG 4.24Å; K8-Q12 WeakPolarHBondContact O-CB 3.5Å; K8-Q12 WeakPolarHBondContact O-CG 3.4Å; K8-Q12 PolarHBondContact O-N 3.45Å; E9-Q12 PolarHBondContact O-N 3.06Å; A10-Q12 VanDerWaalsContact C-N 3.34Å; A10-Q12 PolarHBondContact O-N 3.21Å; Q12-A15 PolarHBondContact O-N 3.11Å; Q12-K16 WeakPolarHBondContact O-CB 3.44Å; Q12-K16 VanDerWaalsContact O-CG 3.24Å; Q12-K16 WeakPolarHBondContact O-CG 3.49Å; Q12-K16 PolarHBondContact O-N 3.24Å; Q12-E253 PolarHBondContact NE2-O 3.02Å
13A98.6Very high89Confident53 Ų5364 Ų6444%0.43833%0.331SS..Hα-helixtrans-62.2-48.417600000111.7E9 A10 A15 K16 E17E9-A13 VanDerWaalsContact O-CB 3.29Å; E9-A13 WeakPolarHBondContact O-CB 3.41Å; E9-A13 PolarHBondContact O-N 3.12Å; A10-A13 PolarHBondContact O-N 3Å; A13-A15 VanDerWaalsContact C-N 3.35Å; A13-A15 PolarHBondContact O-N 3.09Å; A13-K16 PolarHBondContact O-N 3.38Å; A13-E17 PolarHBondContact O-N 3.25Å
14A98.7Very high91.7Very high15 Ų1563.6 Ų63.612%0.12432%0.316CS..Hα-helixtrans-60.1-44.4177.500000111.9A10 V11 E17 F18 V448 L449A10-A14 PolarHBondContact O-N 3.08Å; V11-A14 PolarHBondContact O-N 3.17Å; A14-E17 PolarHBondContact O-N 3.25Å; A14-F18 PolarHBondContact O-N 3.2Å; A14-V448 HydrophobicContact CB-CB 4.48Å; A14-V448 HydrophobicContact CB-CG1 4.08Å; A14-L449 HydrophobicContact CB-CB 3.85Å; A14-L449 HydrophobicContact CB-CD1 4.32Å
15A98.8Very high94.2Very high0 Ų058 Ų580%029%0.286CS..Hα-helixtrans-63.7-42.2177.500000112.4V11 Q12 A13 F18 L19 L248 I256 T445V11-A15 WeakPolarHBondContact O-CB 3.38Å; V11-A15 PolarHBondContact O-N 3.21Å; Q12-A15 PolarHBondContact O-N 3.11Å; A13-A15 VanDerWaalsContact C-N 3.35Å; A13-A15 PolarHBondContact O-N 3.09Å; A15-F18 WeakPolarHBondContact O-CB 3.29Å; A15-F18 PolarHBondContact O-N 3.47Å; A15-L19 WeakPolarHBondContact O-CG 3.24Å; A15-L19 PolarHBondContact O-N 3.23Å; A15-L248 HydrophobicContact CB-CD2 4.02Å; A15-I256 HydrophobicContact CB-CD1 4.08Å; A15-I256 HydrophobicContact CB-CG1 4.43Å; A15-T445 HydrophobicContact CB-CG2 3.76Å
16K98.8Very high96.3Very high105 Ų10551.3 Ų51.346%0.45725%0.253SS..Hα-helixtrans-65.9-37.2177.4-73.6172.9-176.4-178.70112.6Q12 A13 F18 L19 Q20 L248Q12-K16 WeakPolarHBondContact O-CB 3.44Å; Q12-K16 VanDerWaalsContact O-CG 3.24Å; Q12-K16 WeakPolarHBondContact O-CG 3.49Å; Q12-K16 PolarHBondContact O-N 3.24Å; A13-K16 PolarHBondContact O-N 3.38Å; K16-F18 VanDerWaalsContact C-N 3.35Å; K16-L19 WeakPolarHBondContact O-CB 3.28Å; K16-L19 PolarHBondContact O-N 2.8Å; K16-Q20 PolarHBondContact O-N 3.46Å; K16-L248 HydrophobicContact CG-CD1 4.06Å
17E98.8Very high97.8Very high72 Ų7249.3 Ų49.334%0.33624%0.243SC..Hα-helixtrans-65-39.7172.6-79.8-59.3126.500112A13 A14 L19 Q20 F21 R38 Y268A13-E17 PolarHBondContact O-N 3.25Å; A14-E17 PolarHBondContact O-N 3.25Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.1Å; E17-Q20 WeakPolarHBondContact O-CB 3.21Å; E17-Q20 PolarHBondContact O-N 3.14Å; E17-Q20 PolarHBondContact OE1-NE2 2.83Å; E17-F21 PolarHBondContact O-N 3.13Å; E17-F21 VanDerWaalsContact O-N 3.15Å; E17-R38 IonicContact OE2-NH1 3.6Å; E17-Y268 VanDerWaalsContact CB-OH 3.24Å; E17-Y268 WeakPolarHBondContact CB-OH 3.35Å
18F98.9Very high98.3Very high0 Ų042.7 Ų42.70%022%0.216CC..Hα-helixtrans-61.3-40.7171.3170.7-106.9000112.4A14 A15 K16 Q20 F21 V22 I256 L261 H265 Y268 V448A14-F18 PolarHBondContact O-N 3.2Å; A15-F18 WeakPolarHBondContact O-CB 3.29Å; A15-F18 PolarHBondContact O-N 3.47Å; K16-F18 VanDerWaalsContact C-N 3.35Å; F18-Q20 VanDerWaalsContact C-N 3.26Å; F18-Q20 PolarHBondContact O-N 2.79Å; F18-F21 WeakPolarHBondContact O-CB 3.48Å; F18-F21 PolarHBondContact O-N 3.28Å; F18-V22 HydrophobicContact CE1-CG1 4.37Å; F18-V22 HydrophobicContact CE2-CB 4.27Å; F18-V22 HydrophobicContact CZ-CB 4.08Å; F18-V22 HydrophobicContact CZ-CG1 4.39Å; F18-V22 HydrophobicContact CZ-CG2 4.42Å; F18-V22 PolarHBondContact O-N 2.89Å; F18-I256 HydrophobicContact CD1-CD1 4.07Å; F18-I256 HydrophobicContact CD1-CG2 4.34Å; F18-I256 HydrophobicContact CE1-CG2 4.07Å; F18-L261 HydrophobicContact CE1-CD2 3.44Å; F18-L261 VanDerWaalsContact CE1-CD2 3.44Å; F18-L261 HydrophobicContact CZ-CD2 3.67Å; F18-H265 HydrophobicContact CE2-CB 4.28Å; F18-H265 HydrophobicContact CZ-CB 4.2Å; F18-Y268 HydrophobicContact CB-CD1 3.99Å; F18-Y268 HydrophobicContact CB-CE1 3.9Å; F18-Y268 HydrophobicContact CB-CG 4.41Å; F18-Y268 AromaticContact CD2-CD1 3.82Å; F18-Y268 HydrophobicContact CD2-CD1 3.82Å; F18-Y268 HydrophobicContact CD2-CD2 4.43Å; F18-Y268 AromaticContact CD2-CG 3.74Å; F18-Y268 HydrophobicContact CD2-CG 3.74Å; F18-Y268 HydrophobicContact CG-CD1 4.33Å; F18-V448 HydrophobicContact CB-CG1 4.06Å; F18-V448 HydrophobicContact CB-CG2 4.24Å; F18-V448 HydrophobicContact CD1-CG2 4.37Å; F18-V448 HydrophobicContact CG-CG2 4.33Å
19L98.9Very high98.5Very high19 Ų1936.1 Ų36.110%0.09919%0.187CC..Hα-helixtrans-57.8-38.6175-65.5-175.9000112.2A15 K16 E17 V22 N23 A246 L248 I256A15-L19 WeakPolarHBondContact O-CG 3.24Å; A15-L19 PolarHBondContact O-N 3.23Å; K16-L19 WeakPolarHBondContact O-CB 3.28Å; K16-L19 PolarHBondContact O-N 2.8Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.1Å; L19-V22 WeakPolarHBondContact O-CG1 3.37Å; L19-N23 VanDerWaalsContact O-CB 3.26Å; L19-N23 WeakPolarHBondContact O-CB 3.41Å; L19-N23 VanDerWaalsContact O-CG 3.23Å; L19-N23 PolarHBondContact O-N 3.22Å; L19-N23 VanDerWaalsContact O-N 3.11Å; L19-N23 PolarHBondContact O-ND2 3.38Å; L19-A246 HydrophobicContact CD2-CB 3.69Å; L19-L248 HydrophobicContact CD1-CD2 3.88Å; L19-L248 HydrophobicContact CD1-CG 3.87Å; L19-L248 HydrophobicContact CG-CD2 4.35Å; L19-I256 HydrophobicContact CD2-CG2 3.83Å
20Q98.7Very high98.6Very high80 Ų8031 Ų3137%0.37416%0.163SC..Hα-helixtrans-65.5-41.2175.4-64.3176.533.900111.6K16 E17 F18 R24K16-Q20 PolarHBondContact O-N 3.46Å; E17-Q20 WeakPolarHBondContact O-CB 3.21Å; E17-Q20 PolarHBondContact O-N 3.14Å; E17-Q20 PolarHBondContact OE1-NE2 2.83Å; F18-Q20 VanDerWaalsContact C-N 3.26Å; F18-Q20 PolarHBondContact O-N 2.79Å; Q20-R24 WeakPolarHBondContact O-CG 3.42Å; Q20-R24 PolarHBondContact O-N 2.83Å
21F98.9Very high98.6Very high0 Ų028.9 Ų28.90%015%0.146CC..Hα-helixtrans-60.9-52.6177.4-179.5-93.2000111.6E17 F18 N23 R24 G25 V31 E34 L264 C267 Y268 L271E17-F21 PolarHBondContact O-N 3.13Å; E17-F21 VanDerWaalsContact O-N 3.15Å; F18-F21 WeakPolarHBondContact O-CB 3.48Å; F18-F21 PolarHBondContact O-N 3.28Å; F21-N23 PolarHBondContact O-N 2.94Å; F21-R24 PolarHBondContact O-N 3.35Å; F21-R24 VanDerWaalsContact O-N 3.15Å; F21-G25 PolarHBondContact O-N 2.93Å; F21-V31 HydrophobicContact CZ-CG1 4.12Å; F21-E34 HydrophobicContact CD2-CG 3.51Å; F21-E34 HydrophobicContact CE2-CB 4.38Å; F21-E34 HydrophobicContact CE2-CG 3.75Å; F21-E34 HydrophobicContact CG-CG 4.4Å; F21-L264 HydrophobicContact CE1-CB 4.16Å; F21-C267 HydrophobicContact CE1-CB 4.45Å; F21-C267 HydrophobicContact CZ-CB 4.45Å; F21-Y268 HydrophobicContact CB-CD2 3.66Å; F21-Y268 HydrophobicContact CB-CE2 4.2Å; F21-Y268 HydrophobicContact CB-CG 4.47Å; F21-Y268 HydrophobicContact CD1-CD2 4.21Å; F21-Y268 HydrophobicContact CD1-CG 4.41Å; F21-Y268 AromaticContact CD2-CD2 3.96Å; F21-Y268 HydrophobicContact CD2-CD2 3.96Å; F21-Y268 AromaticContact CG-CD2 3.68Å; F21-Y268 HydrophobicContact CG-CD2 3.68Å; F21-Y268 HydrophobicContact CG-CG 4.33Å; F21-L271 HydrophobicContact CE2-CD2 4.33Å
22V98.6Very high98.7Very high0 Ų028.2 Ų28.20%014%0.142CC..Hα-helixtrans-69.4-31.2-175.971.10000113.3F18 L19 R24 G25 A246 S258 P259 R260 L264F18-V22 HydrophobicContact CE1-CG1 4.37Å; F18-V22 HydrophobicContact CE2-CB 4.27Å; F18-V22 HydrophobicContact CZ-CB 4.08Å; F18-V22 HydrophobicContact CZ-CG1 4.39Å; F18-V22 HydrophobicContact CZ-CG2 4.42Å; F18-V22 PolarHBondContact O-N 2.89Å; L19-V22 WeakPolarHBondContact O-CG1 3.37Å; V22-R24 VanDerWaalsContact C-N 3.27Å; V22-R24 PolarHBondContact O-N 3.08Å; V22-G25 CarbonylContact O-C 3.58Å; V22-G25 PolarHBondContact O-N 3.35Å; V22-A246 HydrophobicContact CG1-CB 3.54Å; V22-S258 WeakPolarHBondContact CG1-OG 3.44Å; V22-S258 WeakPolarHBondContact CG2-OG 3.33Å; V22-P259 VanDerWaalsContact CG2-O 3.26Å; V22-P259 WeakPolarHBondContact CG2-O 3.09Å; V22-R260 HydrophobicContact CG2-CB 4.46Å; V22-R260 PolarHBondContact O-NH2 3.35Å; V22-L264 HydrophobicContact CG2-CB 4.46Å; V22-L264 HydrophobicContact CG2-CD1 4.08Å
23N98.6Very high98.7Very high56 Ų5630.3 Ų30.330%0.29915%0.152SC..Hα-helixtrans-71.8-20.7174.7-75.9-32.8000112.9L19 F21 V26 A246L19-N23 VanDerWaalsContact O-CB 3.26Å; L19-N23 WeakPolarHBondContact O-CB 3.41Å; L19-N23 VanDerWaalsContact O-CG 3.23Å; L19-N23 PolarHBondContact O-N 3.22Å; L19-N23 VanDerWaalsContact O-N 3.11Å; L19-N23 PolarHBondContact O-ND2 3.38Å; F21-N23 PolarHBondContact O-N 2.94Å; N23-V26 WeakPolarHBondContact O-CG1 3.2Å; N23-A246 PolarHBondContact ND2-O 3.17Å; N23-A246 WeakPolarHBondContact OD1-CB 3.41Å; N23-A246 PolarHBondContact OD1-N 2.96Å
24R98.4Very high98.7Very high114 Ų11428.3 Ų28.343%0.4313%0.133SC..Hα-helixtrans-91.1-36.5170.9-67.1176.1-173.2-177.74.2111.9Q20 F21 V22 V26 H30 E34Q20-R24 WeakPolarHBondContact O-CG 3.42Å; Q20-R24 PolarHBondContact O-N 2.83Å; F21-R24 PolarHBondContact O-N 3.35Å; F21-R24 VanDerWaalsContact O-N 3.15Å; V22-R24 VanDerWaalsContact C-N 3.27Å; V22-R24 PolarHBondContact O-N 3.08Å; R24-V26 VanDerWaalsContact C-N 3.27Å; R24-V26 PolarHBondContact O-N 3.28Å; R24-H30 WeakPolarHBondContact O-CB 3.33Å; R24-E34 HydrophobicContact CB-CG 4.34Å; R24-E34 WeakPolarHBondContact CD-OE2 3.37Å; R24-E34 IonicContact NH1-OE1 3.59Å; R24-E34 IonicContact NH1-OE2 3.66Å; R24-E34 PolarHBondContact NH1-OE2 3.07Å
25G97.8Very high98.7Very high0 Ų027.6 Ų27.60%013%0.127CC..  trans-76.267.1175.300000112.9F21 V22 R260 L264F21-G25 PolarHBondContact O-N 2.93Å; V22-G25 CarbonylContact O-C 3.58Å; V22-G25 PolarHBondContact O-N 3.35Å; G25-R260 PolarHBondContact O-NE 2.64Å; G25-R260 PolarHBondContact O-NH2 3.15Å; G25-L264 VanDerWaalsContact O-CD1 3.28Å; G25-L264 WeakPolarHBondContact O-CD1 3.47Å
26V98.1Very high98.7Very high10 Ų1030.6 Ų30.66%0.06114%0.138CC..  trans-86.8-12.8-175.8-67.50000114.6N23 R24 H30 A134 H151 V241N23-V26 WeakPolarHBondContact O-CG1 3.2Å; R24-V26 VanDerWaalsContact C-N 3.27Å; R24-V26 PolarHBondContact O-N 3.28Å; V26-H30 HydrophobicContact CG2-CB 4.03Å; V26-A134 HydrophobicContact CB-CB 4.11Å; V26-A134 HydrophobicContact CG2-CB 3.45Å; V26-A134 VanDerWaalsContact CG2-CB 3.45Å; V26-H151 HydrophobicContact CG2-CB 4.37Å; V26-V241 HydrophobicContact CB-CG1 3.98Å; V26-V241 HydrophobicContact CB-CG2 4.3Å; V26-V241 HydrophobicContact CG1-CG1 4.15Å; V26-V241 WeakPolarHBondContact O-CG2 3.39Å
27S98.8Very high98.7Very high4 Ų428.8 Ų28.83%0.02813%0.129CC..SBendtrans-149.8166.3171.581.10000109.1Y29 H30 V31S27-Y29 PolarHBondContact O-N 3.21Å; S27-Y29 VanDerWaalsContact O-N 3.12Å; S27-H30 PolarHBondContact O-N 3.37Å; S27-H30 PolarHBondContact OG-N 3.33Å; S27-H30 PolarHBondContact OG-ND1 2.87Å; S27-V31 WeakPolarHBondContact O-CG2 3.11Å; S27-V31 PolarHBondContact O-N 3.39Å
28P98.9Very high98.7Very high16 Ų1626.3 Ų26.310%0.10412%0.116CC..Hα-helixtrans-53.1-39.5179-26.333.6000112.9H30 V31 V32 D93P28-H30 PolarHBondContact O-N 3.14Å; P28-V31 WeakPolarHBondContact O-CB 3.46Å; P28-V31 PolarHBondContact O-N 2.83Å; P28-V32 PolarHBondContact O-N 3.42Å; P28-D93 HydrophobicContact CG-CB 3.92Å
29Y98.9Very high98.7Very high2 Ų226.3 Ų26.31%0.00812%0.116CC..Hα-helixtrans-65.4-37.5176.4-38.3-71.9000114.3S27 V32 E33 F67 R98 R136 L149 E237S27-Y29 PolarHBondContact O-N 3.21Å; S27-Y29 VanDerWaalsContact O-N 3.12Å; Y29-V32 PolarHBondContact O-N 3.1Å; Y29-E33 PolarHBondContact O-N 3.16Å; Y29-F67 VanDerWaalsContact CA-O 3.31Å; Y29-F67 WeakPolarHBondContact CA-O 3.41Å; Y29-F67 WeakPolarHBondContact CD1-O 3.25Å; Y29-R98 PolarHBondContact OH-NH2 3.5Å; Y29-R136 HydrophobicContact CD1-CG 4.31Å; Y29-R136 HydrophobicContact CD2-CB 4.05Å; Y29-R136 HydrophobicContact CD2-CG 4.07Å; Y29-R136 HydrophobicContact CE1-CG 4.05Å; Y29-R136 HydrophobicContact CE2-CB 4.28Å; Y29-R136 HydrophobicContact CE2-CG 3.8Å; Y29-R136 HydrophobicContact CG-CB 4.18Å; Y29-R136 HydrophobicContact CG-CG 4.33Å; Y29-L149 HydrophobicContact CG-CD2 4.47Å; Y29-E237 HydrophobicContact CE2-CB 4.19Å; Y29-E237 WeakPolarHBondContact OH-CB 3.38Å; Y29-E237 PolarHBondContact OH-OE1 3.06Å; Y29-E237 PolarHBondContact OH-OE2 3.11Å
30H98.9Very high98.7Very high26 Ų2628.8 Ų28.812%0.1213%0.129CC..Hα-helixtrans-74.6-30176.8-69.183.7000111.9R24 V26 S27 P28 E33 E34 G135 I150R24-H30 WeakPolarHBondContact O-CB 3.33Å; V26-H30 HydrophobicContact CG2-CB 4.03Å; S27-H30 PolarHBondContact O-N 3.37Å; S27-H30 PolarHBondContact OG-N 3.33Å; S27-H30 PolarHBondContact OG-ND1 2.87Å; P28-H30 PolarHBondContact O-N 3.14Å; H30-E33 PolarHBondContact O-N 3.21Å; H30-E34 WeakPolarHBondContact O-CB 3.24Å; H30-E34 PolarHBondContact O-N 2.9Å; H30-G135 PolarHBondContact CE1-O 2.98Å; H30-I150 PolarHBondContact CE1-O 2.95Å
31V98.9Very high98.7Very high1 Ų131.2 Ų31.21%0.00614%0.141CC..Hα-helixtrans-63.3-48.1171.6175.10000109.7F21 S27 P28 E33 E34 C35 T92 L264F21-V31 HydrophobicContact CZ-CG1 4.12Å; S27-V31 WeakPolarHBondContact O-CG2 3.11Å; S27-V31 PolarHBondContact O-N 3.39Å; P28-V31 WeakPolarHBondContact O-CB 3.46Å; P28-V31 PolarHBondContact O-N 2.83Å; V31-E33 PolarHBondContact O-N 2.88Å; V31-E34 PolarHBondContact O-N 3.29Å; V31-C35 WeakPolarHBondContact O-CB 3.3Å; V31-C35 PolarHBondContact O-N 2.78Å; V31-C35 PolarHBondContact O-SG 3.14Å; V31-T92 HydrophobicContact CG1-CG2 3.94Å; V31-L264 HydrophobicContact CB-CD2 4.24Å; V31-L264 HydrophobicContact CG1-CD2 3.75Å; V31-L264 HydrophobicContact CG2-CD1 3.63Å; V31-L264 HydrophobicContact CG2-CD2 3.45Å; V31-L264 VanDerWaalsContact CG2-CD2 3.45Å; V31-L264 HydrophobicContact CG2-CG 4.21Å
32V98.9Very high98.7Very high0 Ų032.9 Ų32.90%016%0.155CC..Hα-helixtrans-60.6-43175.5168.80000111.8P28 Y29 C35 R36 T64 F67 S68 L70 T92P28-V32 PolarHBondContact O-N 3.42Å; Y29-V32 PolarHBondContact O-N 3.1Å; V32-C35 PolarHBondContact O-N 3.35Å; V32-R36 VanDerWaalsContact O-CB 3.23Å; V32-R36 WeakPolarHBondContact O-CB 3.48Å; V32-R36 PolarHBondContact O-N 3.13Å; V32-T64 HydrophobicContact CG1-CG2 3.58Å; V32-F67 HydrophobicContact CG1-CD2 4.26Å; V32-F67 HydrophobicContact CG1-CE2 4.34Å; V32-F67 HydrophobicContact CG1-CG 4.36Å; V32-S68 WeakPolarHBondContact CG2-O 3.31Å; V32-L70 HydrophobicContact CG1-CB 4.45Å; V32-L70 HydrophobicContact CG1-CD1 4.29Å; V32-L70 HydrophobicContact CG2-CB 4.26Å; V32-T92 HydrophobicContact CG2-CG2 4.39Å
33E98.9Very high98.7Very high64 Ų6435.1 Ų35.130%0.29918%0.177SC..Hα-helixtrans-63.7-43.1177177.356.1-163.500112.5Y29 H30 V31 C35 R36 R37 F67 L149Y29-E33 PolarHBondContact O-N 3.16Å; H30-E33 PolarHBondContact O-N 3.21Å; V31-E33 PolarHBondContact O-N 2.88Å; E33-C35 PolarHBondContact O-N 3.07Å; E33-R36 WeakPolarHBondContact O-CB 3.41Å; E33-R36 PolarHBondContact O-N 3.11Å; E33-R36 IonicContact OE2-NH1 2.77Å; E33-R37 WeakPolarHBondContact O-CB 3.26Å; E33-R37 PolarHBondContact O-N 3.13Å; E33-F67 HydrophobicContact CB-CE1 4.09Å; E33-F67 HydrophobicContact CB-CZ 4.25Å; E33-F67 WeakPolarHBondContact OE2-CZ 3.5Å; E33-L149 HydrophobicContact CB-CD1 3.71Å; E33-L149 HydrophobicContact CG-CD1 4.05Å
34E98.9Very high98.7Very high11 Ų1132.7 Ų32.75%0.05116%0.164CC..Hα-helixtrans-66.1-38.1177176.161.5-169.600111.7F21 R24 H30 V31 R37 R38F21-E34 HydrophobicContact CD2-CG 3.51Å; F21-E34 HydrophobicContact CE2-CB 4.38Å; F21-E34 HydrophobicContact CE2-CG 3.75Å; F21-E34 HydrophobicContact CG-CG 4.4Å; R24-E34 HydrophobicContact CB-CG 4.34Å; R24-E34 WeakPolarHBondContact CD-OE2 3.37Å; R24-E34 IonicContact NH1-OE1 3.59Å; R24-E34 IonicContact NH1-OE2 3.66Å; R24-E34 PolarHBondContact NH1-OE2 3.07Å; H30-E34 WeakPolarHBondContact O-CB 3.24Å; H30-E34 PolarHBondContact O-N 2.9Å; V31-E34 PolarHBondContact O-N 3.29Å; E34-R37 IonicContact OE1-CZ 3.61Å; E34-R37 IonicContact OE1-NE 3.45Å; E34-R37 IonicContact OE1-NH2 2.72Å; E34-R37 PolarHBondContact OE1-NH2 2.75Å; E34-R37 IonicContact OE2-CZ 2.96Å; E34-R37 IonicContact OE2-NE 3.36Å; E34-R37 PolarHBondContact OE2-NE 3.01Å; E34-R37 IonicContact OE2-NH2 3.75Å; E34-R37 PolarHBondContact OE2-NH2 2.95Å; E34-R38 WeakPolarHBondContact O-CG 3.34Å; E34-R38 PolarHBondContact O-N 2.91Å; E34-R38 VanDerWaalsContact O-N 3.15Å; E34-R38 IonicContact OE1-CZ 3.47Å; E34-R38 VanDerWaalsContact OE1-CZ 3.28Å; E34-R38 IonicContact OE1-NE 3.88Å; E34-R38 PolarHBondContact OE1-NE 3.47Å; E34-R38 IonicContact OE1-NH2 3.24Å; E34-R38 PolarHBondContact OE1-NH2 3.26Å
35C98.9Very high98.7Very high0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-62.6-48.1171.4-72.60000111.5V31 V32 E33 R37 R38 L39 L70 L271V31-C35 WeakPolarHBondContact O-CB 3.3Å; V31-C35 PolarHBondContact O-N 2.78Å; V31-C35 PolarHBondContact O-SG 3.14Å; V32-C35 PolarHBondContact O-N 3.35Å; E33-C35 PolarHBondContact O-N 3.07Å; C35-R37 PolarHBondContact O-N 3.42Å; C35-R38 PolarHBondContact O-N 2.98Å; C35-L39 WeakPolarHBondContact O-CB 3.28Å; C35-L39 WeakPolarHBondContact O-CD1 3.41Å; C35-L39 VanDerWaalsContact O-CG 3.25Å; C35-L39 WeakPolarHBondContact O-CG 3.49Å; C35-L39 PolarHBondContact O-N 3.43Å; C35-L70 HydrophobicContact CB-CD1 3.84Å; C35-L271 HydrophobicContact CB-CD2 4.22Å
36R98.9Very high98.7Very high62 Ų6234.3 Ų34.323%0.23418%0.182CC..Hα-helixtrans-55.6-48.4176.9171.6172-174.8-75.6-8.6111.3V32 E33 R38 L39 L40 E46 F62V32-R36 VanDerWaalsContact O-CB 3.23Å; V32-R36 WeakPolarHBondContact O-CB 3.48Å; V32-R36 PolarHBondContact O-N 3.13Å; E33-R36 WeakPolarHBondContact O-CB 3.41Å; E33-R36 PolarHBondContact O-N 3.11Å; E33-R36 IonicContact OE2-NH1 2.77Å; R36-R38 PolarHBondContact O-N 3.36Å; R36-L39 PolarHBondContact O-N 3.29Å; R36-L40 HydrophobicContact CG-CD1 3.93Å; R36-L40 WeakPolarHBondContact O-CB 3.38Å; R36-L40 VanDerWaalsContact O-CG 3.32Å; R36-L40 WeakPolarHBondContact O-CG 3.36Å; R36-L40 PolarHBondContact O-N 3.28Å; R36-E46 IonicContact CZ-OE2 3.03Å; R36-E46 VanDerWaalsContact CZ-OE2 3.23Å; R36-E46 VanDerWaalsContact NE-CD 3.3Å; R36-E46 IonicContact NE-OE1 2.9Å; R36-E46 PolarHBondContact NE-OE1 3.08Å; R36-E46 VanDerWaalsContact NE-OE1 3.08Å; R36-E46 IonicContact NE-OE2 2.65Å; R36-E46 PolarHBondContact NE-OE2 2.69Å; R36-E46 IonicContact NH2-OE2 2.72Å; R36-E46 PolarHBondContact NH2-OE2 2.95Å; R36-F62 HydrophobicContact CB-CE2 4.11Å; R36-F62 HydrophobicContact CB-CZ 4.42Å; R36-F62 HydrophobicContact CG-CE2 3.71Å; R36-F62 HydrophobicContact CG-CZ 3.72Å
37R98.8Very high98.8Very high67 Ų6735 Ų3525%0.25319%0.185SC..Hα-helixtrans-55.7-51.5176.6-173.1-168.56773.98.7111.5E33 E34 C35 L39 L40 E41E33-R37 WeakPolarHBondContact O-CB 3.26Å; E33-R37 PolarHBondContact O-N 3.13Å; E34-R37 IonicContact OE1-CZ 3.61Å; E34-R37 IonicContact OE1-NE 3.45Å; E34-R37 IonicContact OE1-NH2 2.72Å; E34-R37 PolarHBondContact OE1-NH2 2.75Å; E34-R37 IonicContact OE2-CZ 2.96Å; E34-R37 IonicContact OE2-NE 3.36Å; E34-R37 PolarHBondContact OE2-NE 3.01Å; E34-R37 IonicContact OE2-NH2 3.75Å; E34-R37 PolarHBondContact OE2-NH2 2.95Å; C35-R37 PolarHBondContact O-N 3.42Å; R37-L39 PolarHBondContact O-N 2.88Å; R37-L40 PolarHBondContact O-N 3.38Å; R37-E41 IonicContact CZ-OE1 3Å; R37-E41 IonicContact CZ-OE2 3.25Å; R37-E41 IonicContact NH1-OE1 2.62Å; R37-E41 PolarHBondContact NH1-OE1 3.16Å; R37-E41 IonicContact NH1-OE2 3.63Å; R37-E41 PolarHBondContact NH1-OE2 3.09Å; R37-E41 WeakPolarHBondContact O-CG 3.46Å; R37-E41 PolarHBondContact O-N 3.33Å
38R98.8Very high98.7Very high21 Ų2140.9 Ų40.98%0.07921%0.21CC..Hα-helixtrans-63.8-37.9179.7-70.7-179.5-176.9-110.3-5112.8E17 E34 C35 R36 A42 L271 L275E17-R38 IonicContact OE2-NH1 3.6Å; E34-R38 WeakPolarHBondContact O-CG 3.34Å; E34-R38 PolarHBondContact O-N 2.91Å; E34-R38 VanDerWaalsContact O-N 3.15Å; E34-R38 IonicContact OE1-CZ 3.47Å; E34-R38 VanDerWaalsContact OE1-CZ 3.28Å; E34-R38 IonicContact OE1-NE 3.88Å; E34-R38 PolarHBondContact OE1-NE 3.47Å; E34-R38 IonicContact OE1-NH2 3.24Å; E34-R38 PolarHBondContact OE1-NH2 3.26Å; C35-R38 PolarHBondContact O-N 2.98Å; R36-R38 PolarHBondContact O-N 3.36Å; R38-A42 WeakPolarHBondContact O-CB 3.47Å; R38-A42 PolarHBondContact O-N 2.94Å; R38-L271 HydrophobicContact CB-CD2 4.12Å; R38-L275 HydrophobicContact CB-CD1 4.46Å
39L98.9Very high98.7Very high0 Ų042.3 Ų42.30%022%0.216CC..Hα-helixtrans-65.9-45.3176.8-74.8162.3000111.6C35 R36 R37 A42 G43 F44 F62 L70 A72 L271 L275C35-L39 WeakPolarHBondContact O-CB 3.28Å; C35-L39 WeakPolarHBondContact O-CD1 3.41Å; C35-L39 VanDerWaalsContact O-CG 3.25Å; C35-L39 WeakPolarHBondContact O-CG 3.49Å; C35-L39 PolarHBondContact O-N 3.43Å; R36-L39 PolarHBondContact O-N 3.29Å; R37-L39 PolarHBondContact O-N 2.88Å; L39-A42 CarbonylContact O-C 3.4Å; L39-A42 PolarHBondContact O-N 3.27Å; L39-A42 VanDerWaalsContact O-N 3.17Å; L39-G43 PolarHBondContact O-N 3.41Å; L39-F44 HydrophobicContact CB-CB 4.05Å; L39-F44 HydrophobicContact CB-CG 4.25Å; L39-F44 HydrophobicContact CD2-CB 4.39Å; L39-F44 HydrophobicContact CD2-CD1 3.69Å; L39-F44 HydrophobicContact CD2-CD2 3.88Å; L39-F44 HydrophobicContact CD2-CE1 3.88Å; L39-F44 HydrophobicContact CD2-CE2 4.04Å; L39-F44 HydrophobicContact CD2-CG 3.72Å; L39-F44 HydrophobicContact CD2-CZ 4.06Å; L39-F44 WeakPolarHBondContact O-CB 3.45Å; L39-F44 WeakPolarHBondContact O-CD2 3.11Å; L39-F44 PolarHBondContact O-N 3.12Å; L39-F62 HydrophobicContact CB-CD1 4.01Å; L39-F62 HydrophobicContact CB-CE1 4.2Å; L39-F62 HydrophobicContact CB-CG 4.49Å; L39-F62 HydrophobicContact CD1-CB 3.99Å; L39-F62 HydrophobicContact CD1-CD1 4.3Å; L39-F62 HydrophobicContact CD1-CD2 4.33Å; L39-F62 HydrophobicContact CD1-CG 3.95Å; L39-L70 HydrophobicContact CD1-CD1 3.86Å; L39-L70 HydrophobicContact CD1-CD2 3.79Å; L39-L70 HydrophobicContact CD1-CG 4.4Å; L39-A72 HydrophobicContact CD1-CB 3.76Å; L39-A72 HydrophobicContact CD2-CB 3.72Å; L39-A72 HydrophobicContact CG-CB 4.43Å; L39-L271 HydrophobicContact CD1-CD1 4.31Å; L39-L271 HydrophobicContact CD2-CD1 3.73Å; L39-L271 HydrophobicContact CG-CD1 3.8Å; L39-L275 HydrophobicContact CD2-CD2 4.04Å
40L98.8Very high98.7Very high70 Ų7048.8 Ų48.837%0.36626%0.256SS..Hα-helixtrans-61.6-44.3175.7-71.5169.2000111.5R36 R37 A42 G43 F62R36-L40 HydrophobicContact CG-CD1 3.93Å; R36-L40 WeakPolarHBondContact O-CB 3.38Å; R36-L40 VanDerWaalsContact O-CG 3.32Å; R36-L40 WeakPolarHBondContact O-CG 3.36Å; R36-L40 PolarHBondContact O-N 3.28Å; R37-L40 PolarHBondContact O-N 3.38Å; L40-A42 PolarHBondContact O-N 3.21Å; L40-G43 WeakPolarHBondContact O-CA 3.14Å; L40-G43 PolarHBondContact O-N 2.84Å; L40-F62 HydrophobicContact CD1-CZ 4.49Å; L40-F62 HydrophobicContact CD2-CE1 3.85Å; L40-F62 HydrophobicContact CD2-CZ 4.03Å; L40-F62 HydrophobicContact CG-CE1 4.02Å; L40-F62 HydrophobicContact CG-CZ 3.99Å
41E98.6Very high98.6Very high132 Ų13252.2 Ų52.262%0.61727%0.272SS*.Hα-helixtrans-60.2-33.6174.5-75.9170-174.500112.5R37 G43R37-E41 IonicContact CZ-OE1 3Å; R37-E41 IonicContact CZ-OE2 3.25Å; R37-E41 IonicContact NH1-OE1 2.62Å; R37-E41 PolarHBondContact NH1-OE1 3.16Å; R37-E41 IonicContact NH1-OE2 3.63Å; R37-E41 PolarHBondContact NH1-OE2 3.09Å; R37-E41 WeakPolarHBondContact O-CG 3.46Å; R37-E41 PolarHBondContact O-N 3.33Å; E41-G43 PolarHBondContact O-N 3.13Å
42A98.1Very high98.5Very high35 Ų3560.6 Ų60.629%0.28931%0.311SS..THydrogen-bonded Turntrans-82.66.8174.100000113.9R38 L39 L40 F44 K60 L275R38-A42 WeakPolarHBondContact O-CB 3.47Å; R38-A42 PolarHBondContact O-N 2.94Å; L39-A42 CarbonylContact O-C 3.4Å; L39-A42 PolarHBondContact O-N 3.27Å; L39-A42 VanDerWaalsContact O-N 3.17Å; L40-A42 PolarHBondContact O-N 3.21Å; A42-F44 HydrophobicContact CB-CD2 4.09Å; A42-F44 HydrophobicContact CB-CE2 4.28Å; A42-K60 PolarHBondContact O-NZ 2.72Å; A42-L275 HydrophobicContact CB-CD1 4.47Å; A42-L275 HydrophobicContact CB-CD2 3.44Å; A42-L275 VanDerWaalsContact CB-CD2 3.44Å; A42-L275 HydrophobicContact CB-CG 4.46Å
43G98.3Very high98.5Very high46 Ų4661.6 Ų61.647%0.47431%0.314SS..THydrogen-bonded Turntrans73.929.6176.500000114.5L39 L40 E41 K60L39-G43 PolarHBondContact O-N 3.41Å; L40-G43 WeakPolarHBondContact O-CA 3.14Å; L40-G43 PolarHBondContact O-N 2.84Å; E41-G43 PolarHBondContact O-N 3.13Å; G43-K60 WeakPolarHBondContact O-CE 3.47Å
44F98.8Very high98.3Very high5 Ų563.9 Ų63.92%0.02233%0.329CS..PPolyproline II helixtrans-80.6144.4165.3-73.9-118.7000110.1L39 A42 K60 Y61 F62 A72 L274 L275L39-F44 HydrophobicContact CB-CB 4.05Å; L39-F44 HydrophobicContact CB-CG 4.25Å; L39-F44 HydrophobicContact CD2-CB 4.39Å; L39-F44 HydrophobicContact CD2-CD1 3.69Å; L39-F44 HydrophobicContact CD2-CD2 3.88Å; L39-F44 HydrophobicContact CD2-CE1 3.88Å; L39-F44 HydrophobicContact CD2-CE2 4.04Å; L39-F44 HydrophobicContact CD2-CG 3.72Å; L39-F44 HydrophobicContact CD2-CZ 4.06Å; L39-F44 WeakPolarHBondContact O-CB 3.45Å; L39-F44 WeakPolarHBondContact O-CD2 3.11Å; L39-F44 PolarHBondContact O-N 3.12Å; A42-F44 HydrophobicContact CB-CD2 4.09Å; A42-F44 HydrophobicContact CB-CE2 4.28Å; F44-K60 HydrophobicContact CB-CB 4.27Å; F44-K60 HydrophobicContact CD1-CB 3.61Å; F44-K60 HydrophobicContact CD2-CB 3.9Å; F44-K60 HydrophobicContact CD2-CD 4.04Å; F44-K60 HydrophobicContact CD2-CG 4.5Å; F44-K60 HydrophobicContact CE1-CB 3.77Å; F44-K60 HydrophobicContact CE1-CG 4.35Å; F44-K60 HydrophobicContact CE2-CB 4.06Å; F44-K60 HydrophobicContact CE2-CD 3.7Å; F44-K60 HydrophobicContact CE2-CG 4.24Å; F44-K60 HydrophobicContact CG-CB 3.65Å; F44-K60 HydrophobicContact CZ-CB 3.98Å; F44-K60 HydrophobicContact CZ-CD 4.03Å; F44-K60 HydrophobicContact CZ-CG 4.14Å; F44-Y61 WeakPolarHBondContact CD1-O 3.25Å; F44-F62 HydrophobicContact CB-CD1 3.86Å; F44-F62 HydrophobicContact CB-CE1 4.36Å; F44-A72 HydrophobicContact CD1-CB 4.48Å; F44-A72 HydrophobicContact CE1-CB 4.4Å; F44-L274 HydrophobicContact CE1-CD2 4.09Å; F44-L274 HydrophobicContact CZ-CD2 4.11Å; F44-L274 HydrophobicContact CZ-CG 4.19Å; F44-L275 HydrophobicContact CD2-CD2 4.16Å; F44-L275 HydrophobicContact CE2-CD2 3.53Å; F44-L275 HydrophobicContact CZ-CD2 4.18Å
45T98.8Very high98.3Very high79 Ų7965.3 Ų65.349%0.48534%0.336SS..EExtended strand (participates in β ladder)trans-94.5128176.4-58.90000110.9L47 K60 Y61 F62T45-L47 PolarHBondContact O-N 3.39Å; T45-K60 PolarHBondContact N-O 3.45Å; T45-Y61 CarbonylContact O-C 3.55Å; T45-Y61 VanDerWaalsContact O-CA 3.22Å; T45-Y61 WeakPolarHBondContact O-CA 3.46Å; T45-F62 PolarHBondContact O-N 2.98Å
46E98.8Very high98.2Very high69 Ų6969.9 Ų69.932%0.32236%0.356SS..EExtended strand (participates in β ladder)trans-70.7128.2171.9-168.9165-157.300110.6R36 F62R36-E46 IonicContact CZ-OE2 3.03Å; R36-E46 VanDerWaalsContact CZ-OE2 3.23Å; R36-E46 VanDerWaalsContact NE-CD 3.3Å; R36-E46 IonicContact NE-OE1 2.9Å; R36-E46 PolarHBondContact NE-OE1 3.08Å; R36-E46 VanDerWaalsContact NE-OE1 3.08Å; R36-E46 IonicContact NE-OE2 2.65Å; R36-E46 PolarHBondContact NE-OE2 2.69Å; R36-E46 IonicContact NH2-OE2 2.72Å; R36-E46 PolarHBondContact NH2-OE2 2.95Å; E46-F62 HydrophobicContact CB-CD1 4.49Å; E46-F62 HydrophobicContact CB-CE1 3.72Å; E46-F62 HydrophobicContact CB-CE2 3.93Å; E46-F62 HydrophobicContact CB-CZ 3.38Å; E46-F62 HydrophobicContact CG-CD2 4.35Å; E46-F62 HydrophobicContact CG-CE1 4.34Å; E46-F62 HydrophobicContact CG-CE2 3.61Å; E46-F62 HydrophobicContact CG-CZ 3.61Å
47L98.7Very high98.1Very high24 Ų2470.2 Ų70.213%0.12637%0.366CS..PPolyproline II helixtrans-102.5141173.9-63.8176.6000109.7T45 W53 I55 Y61 F62 V63 F73T45-L47 PolarHBondContact O-N 3.39Å; L47-W53 HydrophobicContact CB-CZ2 4.06Å; L47-W53 HydrophobicContact CD1-CD2 3.79Å; L47-W53 HydrophobicContact CD1-CE3 4.05Å; L47-W53 HydrophobicContact CD1-CG 4.22Å; L47-W53 HydrophobicContact CD1-CH2 4.36Å; L47-W53 HydrophobicContact CD1-CZ2 4.13Å; L47-W53 HydrophobicContact CD1-CZ3 4.33Å; L47-I55 HydrophobicContact CD1-CD1 3.81Å; L47-Y61 HydrophobicContact CD1-CD1 3.98Å; L47-Y61 HydrophobicContact CD1-CG 3.99Å; L47-Y61 HydrophobicContact CD2-CD1 3.77Å; L47-Y61 HydrophobicContact CD2-CE1 4.34Å; L47-Y61 HydrophobicContact CG-CD1 3.95Å; L47-Y61 HydrophobicContact CG-CG 4.34Å; L47-F62 PolarHBondContact N-O 3.17Å; L47-V63 HydrophobicContact CB-CB 4.44Å; L47-F73 HydrophobicContact CD1-CE1 4.21Å; L47-F73 HydrophobicContact CD1-CZ 3.71Å
48K98.3Very high98.1Very high128 Ų12869.4 Ų69.456%0.55737%0.374SS*.PPolyproline II helixtrans-91.4127.4165.8-72.6167.9176.41800109.4T50 E51 W53K48-T50 PolarHBondContact O-N 3.4Å; K48-E51 HydrophobicContact CB-CB 4.26Å; K48-E51 HydrophobicContact CB-CG 3.94Å; K48-E51 HydrophobicContact CD-CG 4.23Å; K48-E51 WeakPolarHBondContact CD-OE1 3.46Å; K48-E51 IonicContact NZ-OE1 3.07Å; K48-E51 PolarHBondContact NZ-OE1 2.74Å; K48-E51 PolarHBondContact O-N 3.34Å; K48-E51 VanDerWaalsContact O-N 3.17Å; K48-W53 PolarHBondContact O-NE1 3.32Å
49E97.8Very high98Very high47 Ų4770.3 Ų70.322%0.2238%0.383CS..THydrogen-bonded Turntrans-63.5-31.6-176-159.7-174.2162.400113.2E51 W53 V63 R65 R319E49-E51 VanDerWaalsContact C-N 3.27Å; E49-E51 PolarHBondContact O-N 3.46Å; E49-W53 HydrophobicContact CG-CZ2 4.48Å; E49-V63 HydrophobicContact CB-CG2 3.95Å; E49-V63 HydrophobicContact CG-CG2 4.44Å; E49-R65 IonicContact OE1-CZ 3.96Å; E49-R65 IonicContact OE1-NE 3.92Å; E49-R65 IonicContact OE1-NH2 3.91Å; E49-R65 PolarHBondContact OE1-NH2 2.62Å; E49-R65 IonicContact OE2-CZ 3.88Å; E49-R65 VanDerWaalsContact OE2-CZ 3.25Å; E49-R65 IonicContact OE2-NE 3.57Å; E49-R65 PolarHBondContact OE2-NE 2.83Å; E49-R65 IonicContact OE2-NH2 3.9Å; E49-R65 PolarHBondContact OE2-NH2 3.25Å; E49-R319 PolarHBondContact O-NH1 2.86Å
50T98.1Very high98Very high138 Ų13872.9 Ų72.985%0.84740%0.395SS*.THydrogen-bonded Turntrans-76.8-9.8-179.954.60000114.1K48K48-T50 PolarHBondContact O-N 3.4Å
51E98.1Very high98Very high98 Ų9870.4 Ų70.446%0.45838%0.381SS..SBendtrans-97.5156.6-179.1-67.2178.3-177.900110.8K48 E49 W53 R319K48-E51 HydrophobicContact CB-CB 4.26Å; K48-E51 HydrophobicContact CB-CG 3.94Å; K48-E51 HydrophobicContact CD-CG 4.23Å; K48-E51 WeakPolarHBondContact CD-OE1 3.46Å; K48-E51 IonicContact NZ-OE1 3.07Å; K48-E51 PolarHBondContact NZ-OE1 2.74Å; K48-E51 PolarHBondContact O-N 3.34Å; K48-E51 VanDerWaalsContact O-N 3.17Å; E49-E51 VanDerWaalsContact C-N 3.27Å; E49-E51 PolarHBondContact O-N 3.46Å; E51-W53 VanDerWaalsContact O-CD1 3.27Å; E51-W53 PolarHBondContact O-NE1 3.35Å; E51-R319 PolarHBondContact O-NH2 2.74Å
52Q97.1Very high98Very high176 Ų17664.1 Ų64.182%0.82235%0.351SS*.  trans-66.5138.9170.1-177.9594300109.5
53W97.7Very high98.1Very high22 Ų2262.7 Ų62.78%0.08334%0.339CS..  trans-104.4140.6179.2-62.9-10.2000111.3L47 K48 E49 E51 I55 V63 I316 R319L47-W53 HydrophobicContact CB-CZ2 4.06Å; L47-W53 HydrophobicContact CD1-CD2 3.79Å; L47-W53 HydrophobicContact CD1-CE3 4.05Å; L47-W53 HydrophobicContact CD1-CG 4.22Å; L47-W53 HydrophobicContact CD1-CH2 4.36Å; L47-W53 HydrophobicContact CD1-CZ2 4.13Å; L47-W53 HydrophobicContact CD1-CZ3 4.33Å; K48-W53 PolarHBondContact O-NE1 3.32Å; E49-W53 HydrophobicContact CG-CZ2 4.48Å; E51-W53 VanDerWaalsContact O-CD1 3.27Å; E51-W53 PolarHBondContact O-NE1 3.35Å; W53-I55 HydrophobicContact CB-CD1 3.93Å; W53-I55 HydrophobicContact CB-CG1 3.98Å; W53-I55 HydrophobicContact CE3-CD1 4.27Å; W53-I55 HydrophobicContact CG-CD1 4.44Å; W53-V63 HydrophobicContact CH2-CG1 4.23Å; W53-V63 HydrophobicContact CZ2-CB 4.38Å; W53-V63 HydrophobicContact CZ2-CG2 4.29Å; W53-I316 HydrophobicContact CH2-CG1 4.07Å; W53-I316 HydrophobicContact CZ3-CG1 4.5Å; W53-I316 HydrophobicContact CZ3-CG2 4.36Å; W53-R319 VanDerWaalsContact CD2-CZ 3.47Å; W53-R319 VanDerWaalsContact CE2-CZ 3.43Å; W53-R319 HydrophobicContact CE3-CB 4.39Å; W53-R319 HydrophobicContact CZ3-CB 4.41Å; W53-R319 VanDerWaalsContact NE1-NH2 3.17Å
54D96.3Very high98.1Very high111 Ų11161.9 Ų61.959%0.59433%0.325SS*.  trans-117.387.8168.7-175.923000109.1K56 Y61D54-K56 VanDerWaalsContact CG-CE 3.42Å; D54-K56 VanDerWaalsContact OD1-CE 3.3Å; D54-K56 WeakPolarHBondContact OD1-CE 3.46Å; D54-K56 IonicContact OD1-NZ 2.73Å; D54-K56 PolarHBondContact OD1-NZ 2.97Å; D54-K56 WeakPolarHBondContact OD2-CE 3.25Å; D54-K56 IonicContact OD2-NZ 2.64Å; D54-K56 PolarHBondContact OD2-NZ 3.41Å; D54-Y61 PolarHBondContact O-OH 3.08Å
55I97.8Very high98.1Very high41 Ų4164.6 Ų64.621%0.2134%0.335CS..  trans-87.7125.8-172.7-57.4-59.6000109.5L47 W53 Y61 F73 V75 L320L47-I55 HydrophobicContact CD1-CD1 3.81Å; W53-I55 HydrophobicContact CB-CD1 3.93Å; W53-I55 HydrophobicContact CB-CG1 3.98Å; W53-I55 HydrophobicContact CE3-CD1 4.27Å; W53-I55 HydrophobicContact CG-CD1 4.44Å; I55-Y61 HydrophobicContact CD1-CD1 4.32Å; I55-Y61 HydrophobicContact CD1-CD2 4.13Å; I55-Y61 HydrophobicContact CD1-CE1 4.27Å; I55-Y61 HydrophobicContact CD1-CE2 4.08Å; I55-Y61 HydrophobicContact CD1-CG 4.24Å; I55-Y61 HydrophobicContact CG2-CD2 4.49Å; I55-Y61 HydrophobicContact CG2-CE2 3.99Å; I55-F73 HydrophobicContact CD1-CE2 4.14Å; I55-F73 HydrophobicContact CD1-CZ 4.06Å; I55-F73 HydrophobicContact CG2-CE2 4.37Å; I55-V75 HydrophobicContact CG2-CG2 3.58Å; I55-L320 HydrophobicContact CB-CD2 4.49Å; I55-L320 HydrophobicContact CD1-CD2 4.32Å; I55-L320 HydrophobicContact CG1-CD2 3.92Å; I55-L320 HydrophobicContact CG2-CD2 4.02Å
56K97.4Very high98.1Very high96 Ų9663.3 Ų63.342%0.41733%0.325SS..  trans-110.6143.6-177.8-56.2-55.3-170.7-163.60111.8D54 S59 Y61 V75D54-K56 VanDerWaalsContact CG-CE 3.42Å; D54-K56 VanDerWaalsContact OD1-CE 3.3Å; D54-K56 WeakPolarHBondContact OD1-CE 3.46Å; D54-K56 IonicContact OD1-NZ 2.73Å; D54-K56 PolarHBondContact OD1-NZ 2.97Å; D54-K56 WeakPolarHBondContact OD2-CE 3.25Å; D54-K56 IonicContact OD2-NZ 2.64Å; D54-K56 PolarHBondContact OD2-NZ 3.41Å; K56-S59 WeakPolarHBondContact O-CB 3.26Å; K56-S59 PolarHBondContact O-N 2.94Å; K56-Y61 PolarHBondContact N-OH 2.99Å; K56-V75 WeakPolarHBondContact O-CB 3.38Å
57P97.5Very high98Very high69 Ų6961.7 Ų61.745%0.44832%0.317SS..THydrogen-bonded Turntrans-53.9149.2163.6-24.835000111.9S59P57-S59 PolarHBondContact O-N 2.96Å
58A96.8Very high98Very high51 Ų5160.6 Ų60.642%0.42131%0.311SS..THydrogen-bonded Turntrans59.117-176.300000115.4V75A58-V75 WeakPolarHBondContact CA-O 3.37Å; A58-V75 PolarHBondContact N-O 2.62Å
59S97.9Very high98.1Very high39 Ų3954.6 Ų54.627%0.27329%0.285SS..  trans-109.5162.1175.5-67.40000112.4K56 P57 Y61 V75K56-S59 WeakPolarHBondContact O-CB 3.26Å; K56-S59 PolarHBondContact O-N 2.94Å; P57-S59 PolarHBondContact O-N 2.96Å; S59-Y61 VanDerWaalsContact CB-CE2 3.4Å; S59-Y61 VanDerWaalsContact CB-CZ 3.48Å; S59-Y61 VanDerWaalsContact CB-OH 3.25Å; S59-Y61 WeakPolarHBondContact CB-OH 3.41Å; S59-V75 PolarHBondContact O-N 3.08Å
60K98.7Very high98.1Very high55 Ų5552.3 Ų52.324%0.23928%0.275CS..EExtended strand (participates in β ladder)trans-130.1132.6-170.3-60.9174.1-64.8-178.80110A42 G43 F44 T45 A74 C278 L283A42-K60 PolarHBondContact O-NZ 2.72Å; G43-K60 WeakPolarHBondContact O-CE 3.47Å; F44-K60 HydrophobicContact CB-CB 4.27Å; F44-K60 HydrophobicContact CD1-CB 3.61Å; F44-K60 HydrophobicContact CD2-CB 3.9Å; F44-K60 HydrophobicContact CD2-CD 4.04Å; F44-K60 HydrophobicContact CD2-CG 4.5Å; F44-K60 HydrophobicContact CE1-CB 3.77Å; F44-K60 HydrophobicContact CE1-CG 4.35Å; F44-K60 HydrophobicContact CE2-CB 4.06Å; F44-K60 HydrophobicContact CE2-CD 3.7Å; F44-K60 HydrophobicContact CE2-CG 4.24Å; F44-K60 HydrophobicContact CG-CB 3.65Å; F44-K60 HydrophobicContact CZ-CB 3.98Å; F44-K60 HydrophobicContact CZ-CD 4.03Å; F44-K60 HydrophobicContact CZ-CG 4.14Å; T45-K60 PolarHBondContact N-O 3.45Å; K60-A74 HydrophobicContact CG-CB 4.02Å; K60-C278 HydrophobicContact CD-CB 4.18Å; K60-L283 HydrophobicContact CG-CD2 4.29Å
61Y98.9Very high98.2Very high17 Ų1746 Ų467%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-144.2157.9-171.5-53.1-87.6000112.2F44 T45 L47 D54 I55 K56 S59 A72 F73 V75F44-Y61 WeakPolarHBondContact CD1-O 3.25Å; T45-Y61 CarbonylContact O-C 3.55Å; T45-Y61 VanDerWaalsContact O-CA 3.22Å; T45-Y61 WeakPolarHBondContact O-CA 3.46Å; L47-Y61 HydrophobicContact CD1-CD1 3.98Å; L47-Y61 HydrophobicContact CD1-CG 3.99Å; L47-Y61 HydrophobicContact CD2-CD1 3.77Å; L47-Y61 HydrophobicContact CD2-CE1 4.34Å; L47-Y61 HydrophobicContact CG-CD1 3.95Å; L47-Y61 HydrophobicContact CG-CG 4.34Å; D54-Y61 PolarHBondContact O-OH 3.08Å; I55-Y61 HydrophobicContact CD1-CD1 4.32Å; I55-Y61 HydrophobicContact CD1-CD2 4.13Å; I55-Y61 HydrophobicContact CD1-CE1 4.27Å; I55-Y61 HydrophobicContact CD1-CE2 4.08Å; I55-Y61 HydrophobicContact CD1-CG 4.24Å; I55-Y61 HydrophobicContact CG2-CD2 4.49Å; I55-Y61 HydrophobicContact CG2-CE2 3.99Å; K56-Y61 PolarHBondContact N-OH 2.99Å; S59-Y61 VanDerWaalsContact CB-CE2 3.4Å; S59-Y61 VanDerWaalsContact CB-CZ 3.48Å; S59-Y61 VanDerWaalsContact CB-OH 3.25Å; S59-Y61 WeakPolarHBondContact CB-OH 3.41Å; Y61-A72 CarbonylContact O-C 3.53Å; Y61-A72 WeakPolarHBondContact O-CA 3.49Å; Y61-F73 VanDerWaalsContact CB-CZ 3.48Å; Y61-F73 HydrophobicContact CD2-CD2 4.11Å; Y61-F73 AromaticContact CD2-CE2 3.47Å; Y61-F73 HydrophobicContact CD2-CE2 3.47Å; Y61-F73 VanDerWaalsContact CD2-CE2 3.47Å; Y61-F73 HydrophobicContact CD2-CZ 4.09Å; Y61-F73 HydrophobicContact CE2-CE2 4.43Å; Y61-F73 AromaticContact CG-CE2 3.9Å; Y61-F73 HydrophobicContact CG-CE2 3.9Å; Y61-F73 HydrophobicContact CG-CZ 4.05Å; Y61-F73 PolarHBondContact N-O 2.65Å; Y61-F73 PolarHBondContact O-N 3.23Å; Y61-F73 VanDerWaalsContact O-O 3.13Å; Y61-V75 HydrophobicContact CD2-CG2 4.24Å; Y61-V75 HydrophobicContact CE2-CG2 4.08Å
62F98.9Very high98.2Very high0 Ų041.3 Ų41.30%021%0.214CC..EExtended strand (participates in β ladder)trans-146.9159166.771.6-81.9000111.6R36 L39 L40 F44 T45 E46 L47 T64 L70 I71 A72R36-F62 HydrophobicContact CB-CE2 4.11Å; R36-F62 HydrophobicContact CB-CZ 4.42Å; R36-F62 HydrophobicContact CG-CE2 3.71Å; R36-F62 HydrophobicContact CG-CZ 3.72Å; L39-F62 HydrophobicContact CB-CD1 4.01Å; L39-F62 HydrophobicContact CB-CE1 4.2Å; L39-F62 HydrophobicContact CB-CG 4.49Å; L39-F62 HydrophobicContact CD1-CB 3.99Å; L39-F62 HydrophobicContact CD1-CD1 4.3Å; L39-F62 HydrophobicContact CD1-CD2 4.33Å; L39-F62 HydrophobicContact CD1-CG 3.95Å; L40-F62 HydrophobicContact CD1-CZ 4.49Å; L40-F62 HydrophobicContact CD2-CE1 3.85Å; L40-F62 HydrophobicContact CD2-CZ 4.03Å; L40-F62 HydrophobicContact CG-CE1 4.02Å; L40-F62 HydrophobicContact CG-CZ 3.99Å; F44-F62 HydrophobicContact CB-CD1 3.86Å; F44-F62 HydrophobicContact CB-CE1 4.36Å; T45-F62 PolarHBondContact O-N 2.98Å; E46-F62 HydrophobicContact CB-CD1 4.49Å; E46-F62 HydrophobicContact CB-CE1 3.72Å; E46-F62 HydrophobicContact CB-CE2 3.93Å; E46-F62 HydrophobicContact CB-CZ 3.38Å; E46-F62 HydrophobicContact CG-CD2 4.35Å; E46-F62 HydrophobicContact CG-CE1 4.34Å; E46-F62 HydrophobicContact CG-CE2 3.61Å; E46-F62 HydrophobicContact CG-CZ 3.61Å; L47-F62 PolarHBondContact N-O 3.17Å; F62-T64 HydrophobicContact CD2-CG2 4.42Å; F62-L70 HydrophobicContact CD2-CD1 4.15Å; F62-I71 CarbonylContact C-O 3.5Å; F62-I71 WeakPolarHBondContact CA-O 3.03Å; F62-I71 WeakPolarHBondContact CB-O 3.4Å; F62-A72 HydrophobicContact CB-CB 3.67Å
63V98.8Very high98.3Very high5 Ų532.9 Ų32.93%0.0318%0.175CC..EExtended strand (participates in β ladder)trans-139147.8175.660.40000108.9L47 E49 W53 L70 I71 I316L47-V63 HydrophobicContact CB-CB 4.44Å; E49-V63 HydrophobicContact CB-CG2 3.95Å; E49-V63 HydrophobicContact CG-CG2 4.44Å; W53-V63 HydrophobicContact CH2-CG1 4.23Å; W53-V63 HydrophobicContact CZ2-CB 4.38Å; W53-V63 HydrophobicContact CZ2-CG2 4.29Å; V63-L70 WeakPolarHBondContact O-CA 3.43Å; V63-I71 HydrophobicContact CG1-CB 4.17Å; V63-I71 PolarHBondContact N-O 3.09Å; V63-I71 PolarHBondContact O-N 2.8Å; V63-I316 HydrophobicContact CG1-CD1 3.59Å
64T98.8Very high98.3Very high30 Ų3031.9 Ų31.918%0.18417%0.171CC..EExtended strand (participates in β ladder)trans-116150.2174.465.10000110.7V32 F62 S69 L70V32-T64 HydrophobicContact CG1-CG2 3.58Å; F62-T64 HydrophobicContact CD2-CG2 4.42Å; T64-S69 VanDerWaalsContact CA-O 3.27Å; T64-S69 WeakPolarHBondContact CA-O 3.38Å; T64-L70 HydrophobicContact CG2-CB 4.33Å; T64-L70 HydrophobicContact CG2-CD1 3.99Å; T64-L70 HydrophobicContact CG2-CG 4.25Å
65R98.6Very high98.5Very high62 Ų6226.6 Ų26.623%0.23414%0.143CC..EExtended strand (participates in β ladder)trans-126.7134171.7178.669.675.878.8-10.1109.1E49 F67 S68 S69 A305 Q306 L312E49-R65 IonicContact OE1-CZ 3.96Å; E49-R65 IonicContact OE1-NE 3.92Å; E49-R65 IonicContact OE1-NH2 3.91Å; E49-R65 PolarHBondContact OE1-NH2 2.62Å; E49-R65 IonicContact OE2-CZ 3.88Å; E49-R65 VanDerWaalsContact OE2-CZ 3.25Å; E49-R65 IonicContact OE2-NE 3.57Å; E49-R65 PolarHBondContact OE2-NE 2.83Å; E49-R65 IonicContact OE2-NH2 3.9Å; E49-R65 PolarHBondContact OE2-NH2 3.25Å; R65-F67 PolarHBondContact O-N 2.85Å; R65-S68 PolarHBondContact O-N 3.07Å; R65-S68 VanDerWaalsContact O-N 3.15Å; R65-S69 PolarHBondContact N-O 2.76Å; R65-S69 PolarHBondContact O-N 3.42Å; R65-S69 VanDerWaalsContact O-N 3.11Å; R65-A305 PolarHBondContact NH1-O 2.93Å; R65-Q306 HydrophobicContact CB-CB 4.38Å; R65-Q306 HydrophobicContact CG-CB 3.91Å; R65-L312 HydrophobicContact CB-CD2 3.72Å; R65-L312 HydrophobicContact CG-CD2 4.08Å
66N98.4Very high98.5Very high51 Ų5124.7 Ų24.727%0.27313%0.133SC..THydrogen-bonded Turntrans567.6-175.1-168.639.2000113.9S68 R136 Q306N66-S68 PolarHBondContact ND2-OG 3.27Å; N66-S68 PolarHBondContact O-N 3.04Å; N66-S68 VanDerWaalsContact O-N 3.14Å; N66-R136 PolarHBondContact O-NH1 3.02Å; N66-R136 VanDerWaalsContact OD1-CZ 3.28Å; N66-R136 PolarHBondContact OD1-NH1 2.7Å; N66-R136 PolarHBondContact OD1-NH2 2.9Å; N66-Q306 HydrophobicContact CB-CB 4.15Å; N66-Q306 HydrophobicContact CB-CG 4.15Å; N66-Q306 PolarHBondContact ND2-NE2 2.9Å; N66-Q306 VanDerWaalsContact ND2-NE2 3.13Å
67F98.5Very high98.6Very high36 Ų3621.4 Ų21.416%0.15813%0.126CC..THydrogen-bonded Turntrans52.324.4-168-148-106.9000114.2Y29 V32 E33 R65 Q147 L149Y29-F67 VanDerWaalsContact CA-O 3.31Å; Y29-F67 WeakPolarHBondContact CA-O 3.41Å; Y29-F67 WeakPolarHBondContact CD1-O 3.25Å; V32-F67 HydrophobicContact CG1-CD2 4.26Å; V32-F67 HydrophobicContact CG1-CE2 4.34Å; V32-F67 HydrophobicContact CG1-CG 4.36Å; E33-F67 HydrophobicContact CB-CE1 4.09Å; E33-F67 HydrophobicContact CB-CZ 4.25Å; E33-F67 WeakPolarHBondContact OE2-CZ 3.5Å; R65-F67 PolarHBondContact O-N 2.85Å; F67-Q147 VanDerWaalsContact CB-NE2 3.34Å; F67-Q147 VanDerWaalsContact CG-NE2 3.27Å; F67-L149 HydrophobicContact CD1-CD2 4.23Å; F67-L149 HydrophobicContact CE1-CD1 4.09Å; F67-L149 HydrophobicContact CE1-CD2 4.21Å; F67-L149 HydrophobicContact CE1-CG 4.32Å
68S98.8Very high98.6Very high0 Ų024.5 Ų24.50%013%0.132CC..THydrogen-bonded Turntrans-125.7-13.9174.559.40000112.8V32 R65 N66 T92 D296V32-S68 WeakPolarHBondContact CG2-O 3.31Å; R65-S68 PolarHBondContact O-N 3.07Å; R65-S68 VanDerWaalsContact O-N 3.15Å; N66-S68 PolarHBondContact ND2-OG 3.27Å; N66-S68 PolarHBondContact O-N 3.04Å; N66-S68 VanDerWaalsContact O-N 3.14Å; S68-T92 PolarHBondContact O-OG1 3.03Å; S68-D296 WeakPolarHBondContact CB-OD2 3.4Å; S68-D296 WeakPolarHBondContact OG-CB 3.35Å; S68-D296 PolarHBondContact OG-OD2 2.84Å
69S98.9Very high98.7Very high2 Ų222.8 Ų22.81%0.01412%0.115CC..EExtended strand (participates in β ladder)trans-121.3150.1168.3-51.90000111.5T64 R65 L294 D296 Q306T64-S69 VanDerWaalsContact CA-O 3.27Å; T64-S69 WeakPolarHBondContact CA-O 3.38Å; R65-S69 PolarHBondContact N-O 2.76Å; R65-S69 PolarHBondContact O-N 3.42Å; R65-S69 VanDerWaalsContact O-N 3.11Å; S69-L294 CarbonylContact C-O 3.47Å; S69-L294 WeakPolarHBondContact CA-O 3.38Å; S69-L294 VanDerWaalsContact CB-O 3.28Å; S69-L294 WeakPolarHBondContact CB-O 3.09Å; S69-D296 WeakPolarHBondContact OG-CB 3.43Å; S69-D296 PolarHBondContact OG-N 3.01Å; S69-Q306 WeakPolarHBondContact CB-O 3.42Å; S69-Q306 WeakPolarHBondContact OG-CB 3.45Å; S69-Q306 PolarHBondContact OG-O 3.2Å
70L98.8Very high98.6Very high0 Ų026.5 Ų26.50%013%0.131CC..EExtended strand (participates in β ladder)trans-139.9132.9-176-179.5149000110.3V32 C35 L39 F62 V63 T64 A72 L294V32-L70 HydrophobicContact CG1-CB 4.45Å; V32-L70 HydrophobicContact CG1-CD1 4.29Å; V32-L70 HydrophobicContact CG2-CB 4.26Å; C35-L70 HydrophobicContact CB-CD1 3.84Å; L39-L70 HydrophobicContact CD1-CD1 3.86Å; L39-L70 HydrophobicContact CD1-CD2 3.79Å; L39-L70 HydrophobicContact CD1-CG 4.4Å; F62-L70 HydrophobicContact CD2-CD1 4.15Å; V63-L70 WeakPolarHBondContact O-CA 3.43Å; T64-L70 HydrophobicContact CG2-CB 4.33Å; T64-L70 HydrophobicContact CG2-CD1 3.99Å; T64-L70 HydrophobicContact CG2-CG 4.25Å; L70-A72 HydrophobicContact CD2-CB 3.9Å; L70-L294 HydrophobicContact CD2-CD1 4.35Å; L70-L294 PolarHBondContact N-O 3.44Å; L70-L294 PolarHBondContact O-N 2.82Å
71I98.9Very high98.5Very high4 Ų426.2 Ų26.22%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-117.9120.4168.6-57.8-167.3000107.8F62 V63 F73 M291 I292 T293 L312 I316F62-I71 CarbonylContact C-O 3.5Å; F62-I71 WeakPolarHBondContact CA-O 3.03Å; F62-I71 WeakPolarHBondContact CB-O 3.4Å; V63-I71 HydrophobicContact CG1-CB 4.17Å; V63-I71 PolarHBondContact N-O 3.09Å; V63-I71 PolarHBondContact O-N 2.8Å; I71-F73 HydrophobicContact CG2-CD1 4.42Å; I71-M291 HydrophobicContact CG2-CE 4.09Å; I71-M291 HydrophobicContact CG2-CG 3.88Å; I71-M291 HydrophobicContact CG2-SD 3.78Å; I71-I292 WeakPolarHBondContact CA-O 3.49Å; I71-T293 HydrophobicContact CD1-CG2 3.86Å; I71-T293 HydrophobicContact CG1-CG2 4Å; I71-T293 HydrophobicContact CG2-CG2 4.06Å; I71-L312 HydrophobicContact CD1-CG 4.36Å; I71-I316 HydrophobicContact CB-CD1 4.32Å; I71-I316 HydrophobicContact CD1-CD1 3.62Å; I71-I316 HydrophobicContact CG1-CD1 4.29Å; I71-I316 HydrophobicContact CG2-CG2 4.41Å
72A98.9Very high98.4Very high0 Ų025.5 Ų25.50%013%0.133CC..EExtended strand (participates in β ladder)trans-118.7141.4173.800000110.1L39 F44 Y61 F62 L70 L274 M291 I292L39-A72 HydrophobicContact CD1-CB 3.76Å; L39-A72 HydrophobicContact CD2-CB 3.72Å; L39-A72 HydrophobicContact CG-CB 4.43Å; F44-A72 HydrophobicContact CD1-CB 4.48Å; F44-A72 HydrophobicContact CE1-CB 4.4Å; Y61-A72 CarbonylContact O-C 3.53Å; Y61-A72 WeakPolarHBondContact O-CA 3.49Å; F62-A72 HydrophobicContact CB-CB 3.67Å; L70-A72 HydrophobicContact CD2-CB 3.9Å; A72-L274 HydrophobicContact CB-CD2 4.04Å; A72-M291 CarbonylContact O-C 3.5Å; A72-M291 VanDerWaalsContact O-CA 3.29Å; A72-M291 WeakPolarHBondContact O-CA 3.13Å; A72-I292 HydrophobicContact CB-CD1 4.15Å; A72-I292 HydrophobicContact CB-CG1 3.87Å; A72-I292 PolarHBondContact N-O 3.46Å; A72-I292 VanDerWaalsContact N-O 3.08Å; A72-I292 PolarHBondContact O-N 3.43Å
73F98.9Very high98.4Very high0 Ų027.2 Ų27.20%014%0.142CC..EExtended strand (participates in β ladder)trans-147.6148.1-177.459.6-88.1000113L47 I55 Y61 I71 V75 I289 R290 M291 L320L47-F73 HydrophobicContact CD1-CE1 4.21Å; L47-F73 HydrophobicContact CD1-CZ 3.71Å; I55-F73 HydrophobicContact CD1-CE2 4.14Å; I55-F73 HydrophobicContact CD1-CZ 4.06Å; I55-F73 HydrophobicContact CG2-CE2 4.37Å; Y61-F73 VanDerWaalsContact CB-CZ 3.48Å; Y61-F73 HydrophobicContact CD2-CD2 4.11Å; Y61-F73 AromaticContact CD2-CE2 3.47Å; Y61-F73 HydrophobicContact CD2-CE2 3.47Å; Y61-F73 VanDerWaalsContact CD2-CE2 3.47Å; Y61-F73 HydrophobicContact CD2-CZ 4.09Å; Y61-F73 HydrophobicContact CE2-CE2 4.43Å; Y61-F73 AromaticContact CG-CE2 3.9Å; Y61-F73 HydrophobicContact CG-CE2 3.9Å; Y61-F73 HydrophobicContact CG-CZ 4.05Å; Y61-F73 PolarHBondContact N-O 2.65Å; Y61-F73 PolarHBondContact O-N 3.23Å; Y61-F73 VanDerWaalsContact O-O 3.13Å; I71-F73 HydrophobicContact CG2-CD1 4.42Å; F73-V75 HydrophobicContact CD2-CG2 4.08Å; F73-V75 HydrophobicContact CE2-CG2 4.23Å; F73-I289 HydrophobicContact CB-CG2 3.8Å; F73-I289 HydrophobicContact CD2-CG2 4.26Å; F73-I289 HydrophobicContact CG-CG2 4.39Å; F73-R290 CarbonylContact C-O 3.6Å; F73-R290 WeakPolarHBondContact CA-O 3.48Å; F73-R290 VanDerWaalsContact CB-O 3.31Å; F73-R290 WeakPolarHBondContact CB-O 3.5Å; F73-M291 HydrophobicContact CB-CB 4.06Å; F73-M291 HydrophobicContact CB-CE 3.93Å; F73-M291 HydrophobicContact CB-CG 4.23Å; F73-M291 HydrophobicContact CD1-CE 4.25Å; F73-M291 HydrophobicContact CG-CE 4.23Å; F73-L320 HydrophobicContact CD1-CD1 4.39Å; F73-L320 HydrophobicContact CD2-CD1 4.2Å; F73-L320 HydrophobicContact CD2-CD2 4.12Å; F73-L320 HydrophobicContact CE1-CD1 4.42Å; F73-L320 HydrophobicContact CE1-CD2 4.43Å; F73-L320 HydrophobicContact CE2-CD1 4.21Å; F73-L320 HydrophobicContact CE2-CD2 3.42Å; F73-L320 VanDerWaalsContact CE2-CD2 3.42Å; F73-L320 HydrophobicContact CE2-CG 4.46Å; F73-L320 HydrophobicContact CG-CD1 4.28Å; F73-L320 HydrophobicContact CZ-CD1 4.32Å; F73-L320 HydrophobicContact CZ-CD2 3.61Å
74A98.9Very high98.4Very high0 Ų027 Ų270%014%0.141CC..EExtended strand (participates in β ladder)trans-120.7123.9174.400000108.8K60 L274 C278 L283 R290K60-A74 HydrophobicContact CG-CB 4.02Å; A74-L274 HydrophobicContact CB-CD1 4.39Å; A74-C278 WeakPolarHBondContact CB-SG 3.12Å; A74-L283 HydrophobicContact CB-CD1 3.87Å; A74-L283 HydrophobicContact CB-CD2 4.18Å; A74-R290 HydrophobicContact CB-CB 4.47Å; A74-R290 PolarHBondContact N-O 3.29Å; A74-R290 PolarHBondContact O-N 2.9Å
75V98.8Very high98.4Very high1 Ų125.6 Ų25.61%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-86.9118.9-174.9-171.50000108.8I55 K56 A58 S59 Y61 F73 Y79 I289I55-V75 HydrophobicContact CG2-CG2 3.58Å; K56-V75 WeakPolarHBondContact O-CB 3.38Å; A58-V75 WeakPolarHBondContact CA-O 3.37Å; A58-V75 PolarHBondContact N-O 2.62Å; S59-V75 PolarHBondContact O-N 3.08Å; Y61-V75 HydrophobicContact CD2-CG2 4.24Å; Y61-V75 HydrophobicContact CE2-CG2 4.08Å; F73-V75 HydrophobicContact CD2-CG2 4.08Å; F73-V75 HydrophobicContact CE2-CG2 4.23Å; V75-Y79 HydrophobicContact CG1-CD1 3.76Å; V75-Y79 HydrophobicContact CG1-CG 4.06Å; V75-I289 HydrophobicContact CB-CG1 4.45Å; V75-I289 HydrophobicContact CG1-CD1 4.49Å; V75-I289 HydrophobicContact CG1-CG1 4.09Å; V75-I289 HydrophobicContact CG2-CG1 4.41Å
76G98.7Very high98.4Very high0 Ų022.7 Ų22.70%012%0.121CC..  trans-57.5143.7175.700000112.3K78 Y79 L283 D286 N288G76-K78 PolarHBondContact O-N 2.85Å; G76-Y79 VanDerWaalsContact O-CB 3.25Å; G76-Y79 WeakPolarHBondContact O-CB 3.19Å; G76-Y79 PolarHBondContact O-N 2.92Å; G76-L283 CarbonylContact C-O 3.55Å; G76-L283 WeakPolarHBondContact CA-O 3.07Å; G76-D286 CarbonylContact C-O 3.59Å; G76-D286 VanDerWaalsContact C-O 3.25Å; G76-D286 WeakPolarHBondContact CA-O 3.21Å; G76-N288 WeakPolarHBondContact CA-O 3.35Å; G76-N288 PolarHBondContact N-O 2.92Å
77G98.2Very high98.4Very high27 Ų2720.2 Ų20.228%0.27811%0.108SC..THydrogen-bonded Turntrans-64.7-20.8-179.100000113.5L283 T284 D286G77-L283 PolarHBondContact N-O 3.1Å; G77-T284 CarbonylContact C-O 3.49Å; G77-T284 VanDerWaalsContact CA-O 3.28Å; G77-T284 WeakPolarHBondContact CA-O 3.42Å; G77-D286 PolarHBondContact N-O 3.34Å
78K97.9Very high98.4Very high134 Ų13418.5 Ų18.558%0.58310%0.101SC*.THydrogen-bonded Turntrans-103.49.2174.2-61.4-172.9-176.6169.30113.4G76 L80 N83 S285 D286G76-K78 PolarHBondContact O-N 2.85Å; K78-L80 PolarHBondContact O-N 3.23Å; K78-N83 PolarHBondContact O-ND2 2.87Å; K78-S285 WeakPolarHBondContact CD-O 3.38Å; K78-D286 PolarHBondContact N-O 2.83Å
79Y98.4Very high98.4Very high15 Ų1518.5 Ų18.56%0.05910%0.101CC..  trans-64.9133.4178.2174.4-98.5000111.3V75 G76 N83 P287 I289 L320V75-Y79 HydrophobicContact CG1-CD1 3.76Å; V75-Y79 HydrophobicContact CG1-CG 4.06Å; G76-Y79 VanDerWaalsContact O-CB 3.25Å; G76-Y79 WeakPolarHBondContact O-CB 3.19Å; G76-Y79 PolarHBondContact O-N 2.92Å; Y79-N83 HydrophobicContact CD2-CB 3.74Å; Y79-N83 HydrophobicContact CE2-CB 3.92Å; Y79-P287 WeakPolarHBondContact CA-O 3.38Å; Y79-I289 HydrophobicContact CD1-CD1 4.03Å; Y79-I289 HydrophobicContact CD1-CG1 4.16Å; Y79-I289 HydrophobicContact CD2-CD1 4.04Å; Y79-I289 HydrophobicContact CD2-CG1 3.69Å; Y79-I289 HydrophobicContact CE1-CD1 3.62Å; Y79-I289 HydrophobicContact CE1-CG1 4.22Å; Y79-I289 HydrophobicContact CE2-CD1 3.63Å; Y79-I289 HydrophobicContact CE2-CG1 3.76Å; Y79-I289 HydrophobicContact CG-CD1 4.22Å; Y79-I289 HydrophobicContact CG-CG1 3.89Å; Y79-L320 PolarHBondContact OH-O 2.93Å
80L97.3Very high98.4Very high117 Ų11718.4 Ų18.461%0.61310%0.1SC*.  trans-130148.1169.1-64.4174.6000108.7K78 G82 N83K78-L80 PolarHBondContact O-N 3.23Å; L80-G82 PolarHBondContact O-N 3.29Å; L80-G82 VanDerWaalsContact O-N 3.17Å; L80-N83 PolarHBondContact N-ND2 2.85Å; L80-N83 VanDerWaalsContact O-CB 3.3Å; L80-N83 WeakPolarHBondContact O-CB 3.42Å; L80-N83 PolarHBondContact O-N 2.88Å
81P97.1Very high98.4Very high49 Ų4918.5 Ų18.532%0.31810%0.1SC..THydrogen-bonded Turntrans-50.6121.2173.5-30.937.9000112.9A321 A329P81-A321 WeakPolarHBondContact CB-O 3.4Å; P81-A329 HydrophobicContact CB-CB 4.13Å
82G96.3Very high98.4Very high2 Ų218.4 Ų18.42%0.02110%0.1CC..THydrogen-bonded Turntrans105.2-8-172.800000114.7L80 A329 R336L80-G82 PolarHBondContact O-N 3.29Å; L80-G82 VanDerWaalsContact O-N 3.17Å; G82-A329 WeakPolarHBondContact CA-O 3.38Å; G82-R336 WeakPolarHBondContact O-CD 3.38Å; G82-R336 PolarHBondContact O-NH1 2.95Å
83N98.3Very high98.4Very high36 Ų3618.4 Ų18.419%0.19310%0.1CC..  trans-73.9165.8165.7-70.52.3000111.3K78 Y79 L80 P287 A333K78-N83 PolarHBondContact O-ND2 2.87Å; Y79-N83 HydrophobicContact CD2-CB 3.74Å; Y79-N83 HydrophobicContact CE2-CB 3.92Å; L80-N83 PolarHBondContact N-ND2 2.85Å; L80-N83 VanDerWaalsContact O-CB 3.3Å; L80-N83 WeakPolarHBondContact O-CB 3.42Å; L80-N83 PolarHBondContact O-N 2.88Å; N83-P287 WeakPolarHBondContact CB-O 3.38Å; N83-P287 PolarHBondContact ND2-O 3.38Å; N83-A333 WeakPolarHBondContact O-CB 3.34Å
84G98.3Very high98.4Very high1 Ų119 Ų191%0.0111%0.105CC..  trans-80.9170.3-17400000114.7N288 I289G84-N288 PolarHBondContact N-OD1 3.33Å; G84-N288 VanDerWaalsContact O-CA 3.26Å; G84-N288 WeakPolarHBondContact O-CA 3.22Å; G84-N288 WeakPolarHBondContact O-CB 3.38Å; G84-N288 PolarHBondContact O-OD1 3.45Å; G84-I289 PolarHBondContact O-N 2.74Å
85F98.8Very high98.4Very high1 Ų119.6 Ų19.60%0.00411%0.108CC..EExtended strand (participates in β ladder)trans-112.4130.8171.7-58.6-90000109.9M87 I289 L317 L320 A321 A333 S337 F338F85-M87 HydrophobicContact CB-CE 4.18Å; F85-M87 HydrophobicContact CB-CG 3.77Å; F85-M87 HydrophobicContact CB-SD 3.97Å; F85-I289 WeakPolarHBondContact CA-O 3.4Å; F85-I289 HydrophobicContact CD1-CB 3.69Å; F85-I289 HydrophobicContact CD1-CD1 4.28Å; F85-I289 HydrophobicContact CD1-CG1 4.5Å; F85-I289 HydrophobicContact CD1-CG2 4.02Å; F85-I289 HydrophobicContact CE1-CB 4.01Å; F85-I289 HydrophobicContact CE1-CD1 3.67Å; F85-I289 HydrophobicContact CE1-CG1 4.35Å; F85-I289 HydrophobicContact CE1-CG2 4.34Å; F85-L317 HydrophobicContact CB-CD2 4.41Å; F85-L317 HydrophobicContact CD1-CD2 3.43Å; F85-L317 VanDerWaalsContact CD1-CD2 3.43Å; F85-L317 HydrophobicContact CD2-CD2 3.91Å; F85-L317 HydrophobicContact CE1-CD2 3.5Å; F85-L317 HydrophobicContact CE2-CB 4.37Å; F85-L317 HydrophobicContact CE2-CD2 3.97Å; F85-L317 HydrophobicContact CG-CD2 3.66Å; F85-L317 HydrophobicContact CZ-CB 4.24Å; F85-L317 HydrophobicContact CZ-CD2 3.79Å; F85-L320 HydrophobicContact CE1-CB 4.05Å; F85-L320 HydrophobicContact CE1-CD1 4.11Å; F85-L320 HydrophobicContact CZ-CB 4.25Å; F85-A321 HydrophobicContact CZ-CB 4.38Å; F85-A333 HydrophobicContact CD2-CB 4.13Å; F85-A333 HydrophobicContact CE2-CB 3.68Å; F85-S337 WeakPolarHBondContact CD2-OG 3.48Å; F85-S337 PolarHBondContact N-OG 2.76Å; F85-S337 VanDerWaalsContact O-CA 3.23Å; F85-S337 WeakPolarHBondContact O-CA 3.37Å; F85-S337 VanDerWaalsContact O-CB 3.31Å; F85-S337 WeakPolarHBondContact O-CB 3.34Å; F85-F338 PolarHBondContact O-N 3.31Å
86S98.9Very high98.4Very high0 Ų020.2 Ų20.20%011%0.112CC..EExtended strand (participates in β ladder)trans-98.5104.7170.4-50.20000107N288 I289 R290 M291 F459 F462S86-N288 PolarHBondContact OG-ND2 2.86Å; S86-I289 PolarHBondContact N-O 2.86Å; S86-R290 CarbonylContact O-C 3.25Å; S86-R290 WeakPolarHBondContact O-CA 3.48Å; S86-M291 PolarHBondContact O-N 2.94Å; S86-F459 VanDerWaalsContact O-CE1 3.29Å; S86-F459 WeakPolarHBondContact O-CE1 3.26Å; S86-F462 WeakPolarHBondContact OG-CD1 3Å
87M98.9Very high98.4Very high0 Ų020.2 Ų20.20%011%0.112CC..EExtended strand (participates in β ladder)trans-116.7145.1-167.3-59.6-175.4-76.300113.2F85 M291 L317 F338 M339 I340 V424 F458F85-M87 HydrophobicContact CB-CE 4.18Å; F85-M87 HydrophobicContact CB-CG 3.77Å; F85-M87 HydrophobicContact CB-SD 3.97Å; M87-M291 CarbonylContact C-O 3.55Å; M87-M291 VanDerWaalsContact CA-O 3.29Å; M87-M291 WeakPolarHBondContact CA-O 3.24Å; M87-M291 HydrophobicContact CG-CB 4.17Å; M87-M291 HydrophobicContact CG-SD 4.46Å; M87-M291 HydrophobicContact SD-SD 4.27Å; M87-L317 HydrophobicContact SD-CD1 4.13Å; M87-L317 HydrophobicContact SD-CD2 4.07Å; M87-F338 PolarHBondContact N-O 2.98Å; M87-M339 HydrophobicContact CB-CB 4.06Å; M87-M339 HydrophobicContact CB-CE 3.8Å; M87-M339 HydrophobicContact CB-CG 3.99Å; M87-M339 HydrophobicContact CE-CB 4.35Å; M87-M339 HydrophobicContact CE-CE 3.86Å; M87-M339 HydrophobicContact CG-CE 4.36Å; M87-M339 CarbonylContact O-C 3.51Å; M87-M339 VanDerWaalsContact O-CA 3.29Å; M87-M339 WeakPolarHBondContact O-CA 3.28Å; M87-M339 HydrophobicContact SD-CE 3.69Å; M87-I340 PolarHBondContact O-N 2.77Å; M87-V424 HydrophobicContact CE-CB 4.42Å; M87-V424 HydrophobicContact CE-CG1 3.78Å; M87-V424 HydrophobicContact CE-CG2 4.2Å; M87-F458 WeakPolarHBondContact O-CE1 3.02Å
88I98.9Very high98.5Very high0 Ų020.5 Ų20.50%011%0.105CC..EExtended strand (participates in β ladder)trans-128.8119.8166.3-52.5-177.3000109.1A270 M291 I292 T293 I340 A342 F455 F458 F459I88-A270 HydrophobicContact CB-CB 4.24Å; I88-A270 HydrophobicContact CG2-CB 3.69Å; I88-M291 PolarHBondContact N-O 3.35Å; I88-I292 HydrophobicContact CB-CG2 4.39Å; I88-I292 CarbonylContact O-C 3.5Å; I88-I292 WeakPolarHBondContact O-CA 3.15Å; I88-T293 PolarHBondContact O-N 2.85Å; I88-I340 CarbonylContact C-O 3.56Å; I88-I340 VanDerWaalsContact CA-O 3.29Å; I88-I340 WeakPolarHBondContact CA-O 3.43Å; I88-I340 HydrophobicContact CG1-CB 4.23Å; I88-I340 HydrophobicContact CG2-CB 4.33Å; I88-I340 HydrophobicContact CG2-CG2 4.49Å; I88-A342 HydrophobicContact CG2-CB 3.94Å; I88-F455 HydrophobicContact CD1-CB 3.49Å; I88-F455 VanDerWaalsContact CD1-CB 3.49Å; I88-F455 HydrophobicContact CD1-CD1 3.69Å; I88-F455 HydrophobicContact CD1-CD2 4.11Å; I88-F455 HydrophobicContact CD1-CE1 4.41Å; I88-F455 HydrophobicContact CD1-CG 3.51Å; I88-F455 HydrophobicContact CG2-CE2 4.4Å; I88-F455 HydrophobicContact CG2-CZ 4.36Å; I88-F458 HydrophobicContact CD1-CD1 3.98Å; I88-F458 HydrophobicContact CG1-CD1 3.89Å; I88-F458 HydrophobicContact CG1-CE1 3.92Å; I88-F459 HydrophobicContact CB-CZ 4.3Å; I88-F459 HydrophobicContact CD1-CD2 4.36Å; I88-F459 HydrophobicContact CD1-CE1 4.24Å; I88-F459 HydrophobicContact CD1-CE2 3.56Å; I88-F459 HydrophobicContact CD1-CZ 3.5Å; I88-F459 HydrophobicContact CG1-CE1 4.06Å; I88-F459 HydrophobicContact CG1-CE2 4.22Å; I88-F459 HydrophobicContact CG1-CZ 3.61Å
89G98.9Very high98.5Very high0 Ų014.7 Ų14.70%08%0.081CC..EExtended strand (participates in β ladder)trans-99.6143.5175.300000111.9T293 I340 A342G89-T293 VanDerWaalsContact CA-O 3.28Å; G89-T293 WeakPolarHBondContact CA-O 3.49Å; G89-T293 WeakPolarHBondContact CA-OG1 3.32Å; G89-I340 PolarHBondContact N-O 3.11Å; G89-A342 WeakPolarHBondContact O-CA 3.36Å; G89-A342 WeakPolarHBondContact O-CB 3.29Å; G89-A342 PolarHBondContact O-N 3.34Å
90A98.9Very high98.5Very high0 Ų016.1 Ų16.10%09%0.087CC..EExtended strand (participates in β ladder)trans-150.5-175.6168.500000109.2T293 L294 F295 A342A90-T293 PolarHBondContact N-O 3.21Å; A90-L294 HydrophobicContact CB-CD2 3.99Å; A90-L294 WeakPolarHBondContact O-CA 3.2Å; A90-F295 PolarHBondContact O-N 2.8Å; A90-A342 WeakPolarHBondContact CB-O 3.19Å
91H98.9Very high98.5Very high1 Ų114.8 Ų14.81%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-131147.317562.397.5000114.5D93 D262 N263 C267 F295 E298 E299 D343H91-D93 IonicContact CG-OD1 2.72Å; H91-D93 PolarHBondContact ND1-O 2.93Å; H91-D93 IonicContact ND1-OD1 3.14Å; H91-D262 IonicContact CE1-OD1 3.19Å; H91-D262 PolarHBondContact CE1-OD1 3Å; H91-D262 IonicContact NE2-OD1 2.77Å; H91-N263 PolarHBondContact CD2-ND2 3.36Å; H91-N263 WeakPolarHBondContact CE1-CB 3.43Å; H91-N263 WeakPolarHBondContact NE2-CB 3.21Å; H91-N263 PolarHBondContact NE2-ND2 2.91Å; H91-C267 PolarHBondContact O-SG 2.56Å; H91-F295 CarbonylContact C-O 3.6Å; H91-F295 WeakPolarHBondContact CA-O 3.41Å; H91-F295 VanDerWaalsContact CB-O 3.24Å; H91-F295 WeakPolarHBondContact CB-O 3.07Å; H91-E298 HydrophobicContact CB-CB 3.49Å; H91-E298 VanDerWaalsContact CB-CB 3.49Å; H91-E298 HydrophobicContact CB-CG 4.11Å; H91-E298 VanDerWaalsContact CD2-CG 3.48Å; H91-E298 WeakPolarHBondContact CD2-CG 3.49Å; H91-E298 IonicContact CE1-OE2 3.79Å; H91-E298 IonicContact NE2-OE2 3.17Å; H91-E299 IonicContact CE1-OE1 2.74Å; H91-D343 IonicContact NE2-OD1 3.8Å
92T98.9Very high98.4Very high3 Ų317.5 Ų17.52%0.0189%0.09CC..SBendtrans-93-14.2-17261.90000113V31 V32 S68 L294 F295V31-T92 HydrophobicContact CG1-CG2 3.94Å; V32-T92 HydrophobicContact CG2-CG2 4.39Å; S68-T92 PolarHBondContact O-OG1 3.03Å; T92-L294 HydrophobicContact CG2-CB 3.68Å; T92-F295 PolarHBondContact N-O 3.39Å; T92-F295 PolarHBondContact OG1-O 3.27Å
93D98.9Very high98.4Very high0 Ų017.4 Ų17.40%09%0.089CC..  trans-95.7158.6178.668.4-54000113P28 H91 Y118 D296 N297 E298 E299P28-D93 HydrophobicContact CG-CB 3.92Å; H91-D93 IonicContact CG-OD1 2.72Å; H91-D93 PolarHBondContact ND1-O 2.93Å; H91-D93 IonicContact ND1-OD1 3.14Å; D93-Y118 HydrophobicContact CB-CE1 4.08Å; D93-Y118 WeakPolarHBondContact OD2-CE1 3.44Å; D93-Y118 PolarHBondContact OD2-OH 3.21Å; D93-D296 WeakPolarHBondContact CB-OD1 3.42Å; D93-N297 PolarHBondContact OD1-N 3.12Å; D93-N297 VanDerWaalsContact OD2-CA 3.29Å; D93-N297 WeakPolarHBondContact OD2-CA 3.16Å; D93-N297 PolarHBondContact OD2-N 2.79Å; D93-E298 PolarHBondContact OD1-N 2.92Å; D93-E298 VanDerWaalsContact OD1-N 3.08Å; D93-E298 PolarHBondContact OD2-N 3.27Å; D93-E299 WeakPolarHBondContact OD2-CB 3.45Å; D93-E299 PolarHBondContact OD2-N 3.49Å
94S98.9Very high98.3Very high13 Ų1317.5 Ų17.59%0.0919%0.087CC..  trans-145.3158176.7-49.80000108.4C96 R260 D262S94-C96 PolarHBondContact O-N 3.13Å; S94-R260 WeakPolarHBondContact OG-CB 3.41Å; S94-R260 WeakPolarHBondContact OG-CG 3.27Å; S94-D262 WeakPolarHBondContact CB-O 3.36Å; S94-D262 PolarHBondContact OG-O 2.93Å
95P98.9Very high98.1Very high12 Ų1221.4 Ų21.48%0.07810%0.102CC..  trans-61.4131.4178-24.237.4000111Y118 E299 H437P95-Y118 CarbonylContact C-O 3.58Å; P95-Y118 WeakPolarHBondContact CA-O 3.07Å; P95-E299 VanDerWaalsContact CD-OE1 3.26Å; P95-E299 WeakPolarHBondContact CD-OE1 3.31Å; P95-E299 VanDerWaalsContact CG-CD 3.49Å; P95-E299 HydrophobicContact CG-CG 4.09Å; P95-E299 WeakPolarHBondContact CG-OE2 3.27Å; P95-H437 HydrophobicContact CG-CB 3.95Å
96C98.9Very high97.9Very high13 Ų1325 Ų259%0.08812%0.124CC..EExtended strand (participates in β ladder)trans-152.5169.1-178.664.20000113.2S94 Y118 W123 W126S94-C96 PolarHBondContact O-N 3.13Å; C96-Y118 PolarHBondContact N-O 3.13Å; C96-Y118 WeakPolarHBondContact O-CB 3.46Å; C96-Y118 PolarHBondContact O-N 2.95Å; C96-W123 WeakPolarHBondContact O-CH2 3.32Å; C96-W126 VanDerWaalsContact CA-CZ2 3.47Å; C96-W126 HydrophobicContact CB-CH2 3.65Å; C96-W126 HydrophobicContact CB-CZ2 3.98Å
97L98.9Very high97.6Very high0 Ų031.7 Ų31.70%015%0.153CC..EExtended strand (participates in β ladder)trans-87.5130.2163.2-62.8175.6000108.6V115 E116 W123 W126 V159 L182 L240L97-V115 HydrophobicContact CB-CB 4.24Å; L97-V115 HydrophobicContact CB-CG1 4.5Å; L97-V115 HydrophobicContact CB-CG2 4.38Å; L97-V115 HydrophobicContact CD1-CG2 4.32Å; L97-V115 HydrophobicContact CD2-CG2 4.17Å; L97-E116 CarbonylContact C-O 3.54Å; L97-E116 VanDerWaalsContact CA-O 3.3Å; L97-E116 WeakPolarHBondContact CA-O 3.46Å; L97-W123 HydrophobicContact CD2-CE3 3.86Å; L97-W123 HydrophobicContact CD2-CZ3 3.83Å; L97-W123 HydrophobicContact CG-CE3 4.37Å; L97-W123 HydrophobicContact CG-CZ3 4.21Å; L97-W126 HydrophobicContact CB-CE3 4.21Å; L97-W126 HydrophobicContact CB-CZ3 4.15Å; L97-W126 HydrophobicContact CD1-CB 4.3Å; L97-W126 HydrophobicContact CD1-CD2 4.12Å; L97-W126 HydrophobicContact CD1-CE3 3.69Å; L97-W126 HydrophobicContact CD1-CG 4.4Å; L97-W126 HydrophobicContact CD1-CZ3 4.43Å; L97-W126 HydrophobicContact CG-CD2 4.07Å; L97-W126 HydrophobicContact CG-CE3 3.78Å; L97-W126 HydrophobicContact CG-CZ3 4.2Å; L97-V159 HydrophobicContact CD1-CG2 4.41Å; L97-L182 HydrophobicContact CD2-CD1 4.19Å; L97-L240 HydrophobicContact CB-CB 4.12Å; L97-L240 HydrophobicContact CB-CD1 4.45Å; L97-L240 HydrophobicContact CB-CD2 4.09Å; L97-L240 HydrophobicContact CB-CG 4.45Å; L97-L240 HydrophobicContact CD1-CD2 4.27Å; L97-L240 PolarHBondContact O-N 2.79Å
98R98.9Very high97.5Very high34 Ų3440.1 Ų40.113%0.12819%0.192CC..EExtended strand (participates in β ladder)trans-112.3144.4176.1-62.6-175.775.3178.4-2.6110.7Y29 K100 V115 E116 E237 L238Y29-R98 PolarHBondContact OH-NH2 3.5Å; R98-K100 PolarHBondContact O-N 3Å; R98-V115 CarbonylContact O-C 3.44Å; R98-V115 WeakPolarHBondContact O-CA 3.47Å; R98-V115 WeakPolarHBondContact O-CB 3.49Å; R98-E116 PolarHBondContact N-O 3.48Å; R98-E116 PolarHBondContact O-N 2.75Å; R98-E237 IonicContact CZ-OE1 2.62Å; R98-E237 IonicContact NH2-OE1 2.85Å; R98-E237 PolarHBondContact NH2-OE1 3.31Å; R98-L238 CarbonylContact C-O 3.54Å; R98-L238 VanDerWaalsContact CA-O 3.3Å; R98-L238 WeakPolarHBondContact CA-O 3.48Å
99V98.8Very high97.2Very high12 Ų1242.1 Ų42.17%0.07321%0.212CC..EExtended strand (participates in β ladder)trans-67.4128.3176.4-179.10000109.3V113 V133 F236 L238 L240V99-V113 HydrophobicContact CB-CG1 4.47Å; V99-V113 HydrophobicContact CG1-CG1 3.78Å; V99-V113 HydrophobicContact CG2-CG1 4.07Å; V99-V133 HydrophobicContact CG2-CG1 4.29Å; V99-F236 HydrophobicContact CB-CE2 4.38Å; V99-F236 HydrophobicContact CG1-CE2 3.86Å; V99-L238 HydrophobicContact CB-CB 4.19Å; V99-L238 HydrophobicContact CG2-CB 3.81Å; V99-L238 HydrophobicContact CG2-CD1 4.45Å; V99-L238 PolarHBondContact N-O 3.15Å; V99-L240 HydrophobicContact CG2-CD1 3.85Å
100K98.6Very high97.1Very high44 Ų4443.7 Ų43.719%0.19122%0.222CC..EExtended strand (participates in β ladder)trans-66.8150.9176.9-79.6174.4169.6161.60111.1R98 R102 G114 V115 E116 E179R98-K100 PolarHBondContact O-N 3Å; K100-R102 PolarHBondContact O-N 2.82Å; K100-G114 PolarHBondContact N-O 3.47Å; K100-V115 WeakPolarHBondContact CE-O 3.49Å; K100-V115 PolarHBondContact NZ-O 2.98Å; K100-E116 HydrophobicContact CG-CB 4.22Å; K100-E179 VanDerWaalsContact NZ-CD 3.27Å; K100-E179 IonicContact NZ-OE1 3.42Å; K100-E179 PolarHBondContact NZ-OE1 3.08Å; K100-E179 VanDerWaalsContact NZ-OE1 3.08Å; K100-E179 IonicContact NZ-OE2 2.74Å; K100-E179 PolarHBondContact NZ-OE2 2.72Å
101P95.9Very high97Very high89 Ų8943.9 Ų43.958%0.57822%0.223SC*.EExtended strand (participates in β ladder)trans-55.6-25.2174.9-27.234.8000114.3K213 H214P101-K213 WeakPolarHBondContact O-CD 3.32Å; P101-H214 PolarHBondContact O-CE1 3.27Å; P101-H214 PolarHBondContact O-NE2 2.94Å
102R95.6Very high97Very high107 Ų10745.4 Ų45.440%0.40423%0.23SC..EExtended strand (participates in β ladder)trans-128.296.2169.9-60175.567.199.8-2.1107.6K100 T204 K213K100-R102 PolarHBondContact O-N 2.82Å; R102-T204 PolarHBondContact NH2-O 2.91Å; R102-T204 PolarHBondContact NH2-OG1 3.23Å; R102-K213 HydrophobicContact CB-CB 4.5Å; R102-K213 HydrophobicContact CG-CB 4.1Å; R102-K213 HydrophobicContact CG-CD 4.13Å; R102-K213 HydrophobicContact CG-CG 4.1Å
103S96.8Very high97Very high0 Ų045.3 Ų45.30%023%0.23CC..EExtended strand (participates in β ladder)trans-105-12.7-169.772.80000113.9R105 V113 G114 K213 H214S103-R105 PolarHBondContact O-N 3.29Å; S103-R105 VanDerWaalsContact O-N 3.09Å; S103-V113 CarbonylContact O-C 3.52Å; S103-V113 WeakPolarHBondContact O-CA 3.41Å; S103-G114 WeakPolarHBondContact CB-O 3.21Å; S103-G114 PolarHBondContact O-N 3.22Å; S103-K213 PolarHBondContact N-O 2.94Å; S103-K213 VanDerWaalsContact N-O 3.16Å; S103-H214 PolarHBondContact OG-ND1 2.87Å
104K95.7Very high96.9Very high38 Ų3845.3 Ų45.317%0.16523%0.23CC..EExtended strand (participates in β ladder)trans-59.2118.3-179.7-171.9-179.1-175.5-169.40110.9G202 T204 K213 H215K104-G202 PolarHBondContact NZ-O 2.8Å; K104-T204 HydrophobicContact CB-CG2 3.53Å; K104-T204 HydrophobicContact CD-CG2 3.81Å; K104-T204 HydrophobicContact CG-CG2 4.1Å; K104-K213 PolarHBondContact N-O 2.84Å; K104-H215 VanDerWaalsContact CG-CE1 3.49Å; K104-H215 WeakPolarHBondContact CG-CE1 3.36Å
105R94.8Very high96.9Very high83 Ų8345 Ų4531%0.31323%0.227SC..EExtended strand (participates in β ladder)trans-136.2136.4170.5-73.8-172.6171.3-178.8-2.9109.8S103 Q112 E179 H215S103-R105 PolarHBondContact O-N 3.29Å; S103-R105 VanDerWaalsContact O-N 3.09Å; R105-Q112 HydrophobicContact CB-CB 3.93Å; R105-Q112 PolarHBondContact N-O 2.87Å; R105-Q112 WeakPolarHBondContact O-CA 3.24Å; R105-Q112 PolarHBondContact O-N 2.85Å; R105-E179 IonicContact CZ-OE1 3.68Å; R105-E179 PolarHBondContact NH1-O 2.86Å; R105-E179 IonicContact NH1-OE1 3.7Å; R105-E179 PolarHBondContact NH1-OE1 3.34Å; R105-E179 IonicContact NH2-OE1 2.73Å; R105-E179 PolarHBondContact NH2-OE1 2.96Å; R105-H215 PolarHBondContact O-NE2 2.81Å
106T94.1Very high96.9Very high76 Ų7649.3 Ų49.347%0.46625%0.246SC..EExtended strand (participates in β ladder)trans-126.9127.8174.3-55.10000109V110 H215T106-V110 WeakPolarHBondContact CA-O 3.5Å; T106-H215 PolarHBondContact OG1-CE1 3.46Å; T106-H215 VanDerWaalsContact OG1-CE1 3.23Å
107K93.4Very high96.9Very high141 Ų14150.5 Ų50.561%0.61326%0.255SS*.EExtended strand (participates in β ladder)trans-146.5129.8177.7-169.1169.8-178.3-178.50109.5G109 V110K107-G109 VanDerWaalsContact C-N 3.29Å; K107-G109 PolarHBondContact O-N 2.98Å; K107-V110 PolarHBondContact N-O 2.92Å; K107-V110 VanDerWaalsContact N-O 3.14Å; K107-V110 WeakPolarHBondContact O-CB 3.28Å; K107-V110 PolarHBondContact O-N 2.7Å
108Q95.1Very high96.9Very high177 Ų17751.5 Ų51.583%0.82726%0.258SS*.THydrogen-bonded Turntrans51.143.5178.1-55.9-58.2-23.800113.9V110Q108-V110 PolarHBondContact O-N 3.35Å
109G94.1Very high96.9Very high41 Ų4150.9 Ų50.942%0.42326%0.262SS..THydrogen-bonded Turntrans73.55.5-179.800000115.2K107 A189K107-G109 VanDerWaalsContact C-N 3.29Å; K107-G109 PolarHBondContact O-N 2.98Å; G109-A189 PolarHBondContact O-N 2.72Å
110V96.8Very high96.9Very high33 Ų3352.3 Ų52.320%0.228%0.28CS..EExtended strand (participates in β ladder)trans-102.2134.8179.1-1770000110.5T106 K107 Q108 Q112 I185T106-V110 WeakPolarHBondContact CA-O 3.5Å; K107-V110 PolarHBondContact N-O 2.92Å; K107-V110 VanDerWaalsContact N-O 3.14Å; K107-V110 WeakPolarHBondContact O-CB 3.28Å; K107-V110 PolarHBondContact O-N 2.7Å; Q108-V110 PolarHBondContact O-N 3.35Å; V110-Q112 HydrophobicContact CG1-CG 4.09Å; V110-I185 HydrophobicContact CG1-CB 4.05Å; V110-I185 HydrophobicContact CG1-CD1 3.97Å; V110-I185 HydrophobicContact CG1-CG1 3.73Å; V110-I185 HydrophobicContact CG1-CG2 3.42Å; V110-I185 VanDerWaalsContact CG1-CG2 3.42Å
111L96.8Very high96.9Very high4 Ų450.7 Ų50.72%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-86121171.5-48.3-178.8000108.4L186 G187 A189 E192L111-L186 PolarHBondContact O-N 2.93Å; L111-G187 PolarHBondContact N-O 2.8Å; L111-G187 PolarHBondContact O-N 3.32Å; L111-A189 HydrophobicContact CD2-CB 4.43Å; L111-E192 HydrophobicContact CD1-CB 4.05Å; L111-E192 HydrophobicContact CD1-CG 4.48Å
112Q98.1Very high97Very high34 Ų3449.9 Ų49.916%0.15927%0.266CS..EExtended strand (participates in β ladder)trans-121.4155.3-177.2-66.7-172.9-69.200111.7R105 V110 V183 P184 H215R105-Q112 HydrophobicContact CB-CB 3.93Å; R105-Q112 PolarHBondContact N-O 2.87Å; R105-Q112 WeakPolarHBondContact O-CA 3.24Å; R105-Q112 PolarHBondContact O-N 2.85Å; V110-Q112 HydrophobicContact CG1-CG 4.09Å; Q112-V183 HydrophobicContact CB-CG1 3.79Å; Q112-V183 HydrophobicContact CG-CG1 4.4Å; Q112-V183 PolarHBondContact NE2-O 2.73Å; Q112-P184 VanDerWaalsContact CA-O 3.28Å; Q112-P184 WeakPolarHBondContact CA-O 3.36Å; Q112-P184 WeakPolarHBondContact CB-O 3.36Å; Q112-H215 PolarHBondContact O-CD2 2.95Å; Q112-H215 PolarHBondContact O-NE2 2.92Å
113V98.5Very high97.1Very high1 Ų145.6 Ų45.61%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-113.3112.4176178.90000108.5V99 S103 V115 L157 V183 P184 L186 L218V99-V113 HydrophobicContact CB-CG1 4.47Å; V99-V113 HydrophobicContact CG1-CG1 3.78Å; V99-V113 HydrophobicContact CG2-CG1 4.07Å; S103-V113 CarbonylContact O-C 3.52Å; S103-V113 WeakPolarHBondContact O-CA 3.41Å; V113-V115 PolarHBondContact O-N 3.24Å; V113-L157 HydrophobicContact CB-CD2 4.35Å; V113-L157 HydrophobicContact CG2-CD2 3.96Å; V113-V183 WeakPolarHBondContact O-CG1 3.32Å; V113-P184 HydrophobicContact CB-CG 4.1Å; V113-P184 PolarHBondContact N-O 3.47Å; V113-P184 VanDerWaalsContact N-O 3.08Å; V113-P184 WeakPolarHBondContact O-CD 3.26Å; V113-P184 VanDerWaalsContact O-CG 3.31Å; V113-P184 WeakPolarHBondContact O-CG 3.26Å; V113-L186 HydrophobicContact CG2-CB 4.03Å; V113-L186 HydrophobicContact CG2-CD2 4.02Å; V113-L186 HydrophobicContact CG2-CG 4.5Å; V113-L218 HydrophobicContact CG1-CD2 4.41Å; V113-L218 HydrophobicContact CG2-CD2 4.27Å
114G98.6Very high97.2Very high0 Ų048.6 Ų48.60%027%0.265CS..EExtended strand (participates in β ladder)trans-60.7129171.600000111K100 S103K100-G114 PolarHBondContact N-O 3.47Å; S103-G114 WeakPolarHBondContact CB-O 3.21Å; S103-G114 PolarHBondContact O-N 3.22Å
115V98.8Very high97.4Very high7 Ų748.5 Ų48.54%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-123.1157.4-178.9-650000112L97 R98 K100 V113 L182 P184 L240L97-V115 HydrophobicContact CB-CB 4.24Å; L97-V115 HydrophobicContact CB-CG1 4.5Å; L97-V115 HydrophobicContact CB-CG2 4.38Å; L97-V115 HydrophobicContact CD1-CG2 4.32Å; L97-V115 HydrophobicContact CD2-CG2 4.17Å; R98-V115 CarbonylContact O-C 3.44Å; R98-V115 WeakPolarHBondContact O-CA 3.47Å; R98-V115 WeakPolarHBondContact O-CB 3.49Å; K100-V115 WeakPolarHBondContact CE-O 3.49Å; K100-V115 PolarHBondContact NZ-O 2.98Å; V113-V115 PolarHBondContact O-N 3.24Å; V115-L182 WeakPolarHBondContact CG2-O 3.39Å; V115-P184 HydrophobicContact CG1-CG 3.9Å; V115-L240 HydrophobicContact CG1-CD1 3.81Å; V115-L240 HydrophobicContact CG1-CD2 4.08Å
116E98.7Very high97.6Very high101 Ų10145 Ų4547%0.47226%0.255SS..EExtended strand (participates in β ladder)trans-108.2143.3172.6173.9178.7-136.800109.4L97 R98 K100L97-E116 CarbonylContact C-O 3.54Å; L97-E116 VanDerWaalsContact CA-O 3.3Å; L97-E116 WeakPolarHBondContact CA-O 3.46Å; R98-E116 PolarHBondContact N-O 3.48Å; R98-E116 PolarHBondContact O-N 2.75Å; K100-E116 HydrophobicContact CG-CB 4.22Å
117C98.8Very high97.8Very high39 Ų3942 Ų4226%0.26424%0.236SC..EExtended strand (participates in β ladder)trans-84.6115169.9-66.50000109.4W123 L182C117-W123 HydrophobicContact CB-CH2 3.93Å; C117-W123 HydrophobicContact CB-CZ2 3.55Å; C117-L182 VanDerWaalsContact SG-CD1 3.52Å
118Y98.8Very high98Very high20 Ų2038.5 Ų38.58%0.07822%0.224CC..EExtended strand (participates in β ladder)trans-103125.6175.3177.3-88.2000110.1D93 P95 C96 W123 N297 E299 V300D93-Y118 HydrophobicContact CB-CE1 4.08Å; D93-Y118 WeakPolarHBondContact OD2-CE1 3.44Å; D93-Y118 PolarHBondContact OD2-OH 3.21Å; P95-Y118 CarbonylContact C-O 3.58Å; P95-Y118 WeakPolarHBondContact CA-O 3.07Å; C96-Y118 PolarHBondContact N-O 3.13Å; C96-Y118 WeakPolarHBondContact O-CB 3.46Å; C96-Y118 PolarHBondContact O-N 2.95Å; Y118-W123 WeakPolarHBondContact O-CH2 3.35Å; Y118-N297 VanDerWaalsContact OH-CA 3.25Å; Y118-N297 WeakPolarHBondContact OH-CA 3.25Å; Y118-N297 PolarHBondContact OH-ND2 2.9Å; Y118-E299 HydrophobicContact CE1-CB 4.04Å; Y118-V300 HydrophobicContact CD2-CG1 3.93Å; Y118-V300 HydrophobicContact CE1-CG1 4.44Å; Y118-V300 HydrophobicContact CE2-CG1 3.67Å; Y118-V300 HydrophobicContact CE2-CG2 4.04Å; Y118-V300 HydrophobicContact CG-CG1 4.44Å
119G98.4Very high98.2Very high21 Ų2133.4 Ų33.422%0.21620%0.197CC..SBendtrans75.3-169.4-179.700000115.3G121 W123 E299G119-G121 PolarHBondContact O-N 2.86Å; G119-W123 WeakPolarHBondContact O-CZ2 3.21Å; G119-E299 WeakPolarHBondContact CA-O 3.49Å
120G97.9Very high98.5Very high43 Ų4335.1 Ų35.144%0.44320%0.196SC..SBendtrans-88.640.3-174.600000115.8H437G120-H437 WeakPolarHBondContact O-CB 3.22Å; G120-H437 PolarHBondContact O-ND1 2.99Å
121G98.4Very high98.6Very high9 Ų933.5 Ų33.59%0.09319%0.187CC..  trans-62.4146-169.400000116G119 W123G119-G121 PolarHBondContact O-N 2.86Å; G121-W123 VanDerWaalsContact C-N 3.29Å; G121-W123 VanDerWaalsContact N-CZ2 3.33Å; G121-W123 PolarHBondContact O-N 2.87Å; G121-W123 PolarHBondContact O-NE1 3.41Å
122I98.7Very high98.7Very high73 Ų7333.4 Ų33.437%0.37419%0.186SC..  trans-80.380.4166.2-50.4176.5000108.3N124 T125 M436 H437I122-N124 PolarHBondContact O-N 2.98Å; I122-T125 HydrophobicContact CB-CG2 4.16Å; I122-T125 HydrophobicContact CG2-CG2 3.8Å; I122-T125 WeakPolarHBondContact O-CB 3.44Å; I122-T125 PolarHBondContact O-N 3.4Å; I122-T125 PolarHBondContact O-OG1 3.06Å; I122-M436 WeakPolarHBondContact CD1-O 3.5Å; I122-H437 HydrophobicContact CG1-CB 4.38Å; I122-H437 PolarHBondContact N-O 2.88Å
123W98.8Very high98.7Very high16 Ų1631.8 Ų31.86%0.06118%0.178CC..G310 helixtrans-59-25.6-169.1-53.7114.2000114.8C96 L97 C117 Y118 G119 G121 T125 W126 F127 L182C96-W123 WeakPolarHBondContact O-CH2 3.32Å; L97-W123 HydrophobicContact CD2-CE3 3.86Å; L97-W123 HydrophobicContact CD2-CZ3 3.83Å; L97-W123 HydrophobicContact CG-CE3 4.37Å; L97-W123 HydrophobicContact CG-CZ3 4.21Å; C117-W123 HydrophobicContact CB-CH2 3.93Å; C117-W123 HydrophobicContact CB-CZ2 3.55Å; Y118-W123 WeakPolarHBondContact O-CH2 3.35Å; G119-W123 WeakPolarHBondContact O-CZ2 3.21Å; G121-W123 VanDerWaalsContact C-N 3.29Å; G121-W123 VanDerWaalsContact N-CZ2 3.33Å; G121-W123 PolarHBondContact O-N 2.87Å; G121-W123 PolarHBondContact O-NE1 3.41Å; W123-T125 PolarHBondContact O-N 2.96Å; W123-W126 AromaticContact CE3-CD1 3.94Å; W123-W126 HydrophobicContact CE3-CG 4.4Å; W123-W126 AromaticContact CE3-NE1 3.99Å; W123-W126 WeakPolarHBondContact O-CB 3.39Å; W123-W126 PolarHBondContact O-N 2.76Å; W123-W126 VanDerWaalsContact O-N 3.11Å; W123-F127 WeakPolarHBondContact O-CD2 3.48Å; W123-L182 HydrophobicContact CB-CD1 3.89Å; W123-L182 HydrophobicContact CB-CD2 4.05Å; W123-L182 HydrophobicContact CD2-CD1 4.31Å; W123-L182 HydrophobicContact CG-CD1 3.97Å
124N98.3Very high98.7Very high63 Ų6331.7 Ų31.734%0.33718%0.178SC..G310 helixtrans-60-30175.2-63.71.5000111.9I122 W126 F127 F174 P176I122-N124 PolarHBondContact O-N 2.98Å; N124-W126 VanDerWaalsContact C-N 3.25Å; N124-W126 PolarHBondContact O-N 3.19Å; N124-F127 PolarHBondContact O-N 2.82Å; N124-F174 HydrophobicContact CB-CD1 3.83Å; N124-F174 HydrophobicContact CB-CE1 3.77Å; N124-F174 VanDerWaalsContact CG-CE1 3.41Å; N124-F174 WeakPolarHBondContact ND2-CD1 3.38Å; N124-F174 PolarHBondContact ND2-O 2.92Å; N124-F174 VanDerWaalsContact ND2-O 3.09Å; N124-F174 WeakPolarHBondContact OD1-CD1 3.24Å; N124-F174 WeakPolarHBondContact OD1-CE1 3.26Å; N124-P176 WeakPolarHBondContact OD1-CD 3.41Å; N124-P176 WeakPolarHBondContact OD1-CG 3.49Å
125T98.8Very high98.7Very high37 Ų3731.7 Ų31.723%0.22718%0.178CC..G310 helixtrans-75.2-14.7-179.266.90000113.7I122 W123 R129 S438 I439I122-T125 HydrophobicContact CB-CG2 4.16Å; I122-T125 HydrophobicContact CG2-CG2 3.8Å; I122-T125 WeakPolarHBondContact O-CB 3.44Å; I122-T125 PolarHBondContact O-N 3.4Å; I122-T125 PolarHBondContact O-OG1 3.06Å; W123-T125 PolarHBondContact O-N 2.96Å; T125-R129 WeakPolarHBondContact O-CG 3.34Å; T125-R129 PolarHBondContact O-NE 3.26Å; T125-S438 WeakPolarHBondContact CG2-OG 3.26Å; T125-S438 PolarHBondContact OG1-OG 2.91Å; T125-I439 WeakPolarHBondContact O-CG2 3.25Å; T125-I439 PolarHBondContact OG1-N 2.98Å; T125-I439 VanDerWaalsContact OG1-N 3.09Å
126W98.9Very high98.7Very high8 Ų832.7 Ų32.73%0.0318%0.181CC..G310 helixtrans-83.1-14.5177.1-7071.2000113C96 L97 W123 N124 L131 L240 I439C96-W126 VanDerWaalsContact CA-CZ2 3.47Å; C96-W126 HydrophobicContact CB-CH2 3.65Å; C96-W126 HydrophobicContact CB-CZ2 3.98Å; L97-W126 HydrophobicContact CB-CE3 4.21Å; L97-W126 HydrophobicContact CB-CZ3 4.15Å; L97-W126 HydrophobicContact CD1-CB 4.3Å; L97-W126 HydrophobicContact CD1-CD2 4.12Å; L97-W126 HydrophobicContact CD1-CE3 3.69Å; L97-W126 HydrophobicContact CD1-CG 4.4Å; L97-W126 HydrophobicContact CD1-CZ3 4.43Å; L97-W126 HydrophobicContact CG-CD2 4.07Å; L97-W126 HydrophobicContact CG-CE3 3.78Å; L97-W126 HydrophobicContact CG-CZ3 4.2Å; W123-W126 AromaticContact CE3-CD1 3.94Å; W123-W126 HydrophobicContact CE3-CG 4.4Å; W123-W126 AromaticContact CE3-NE1 3.99Å; W123-W126 WeakPolarHBondContact O-CB 3.39Å; W123-W126 PolarHBondContact O-N 2.76Å; W123-W126 VanDerWaalsContact O-N 3.11Å; N124-W126 VanDerWaalsContact C-N 3.25Å; N124-W126 PolarHBondContact O-N 3.19Å; W126-L131 HydrophobicContact CE3-CD1 4.37Å; W126-L131 HydrophobicContact CE3-CD2 4.21Å; W126-L131 HydrophobicContact CZ3-CD2 4.36Å; W126-L240 WeakPolarHBondContact CH2-O 3.32Å; W126-L240 HydrophobicContact CZ3-CB 3.84Å; W126-L240 WeakPolarHBondContact CZ3-O 3.45Å; W126-I439 HydrophobicContact CD2-CB 4.31Å; W126-I439 HydrophobicContact CD2-CD1 3.65Å; W126-I439 HydrophobicContact CD2-CG1 4.06Å; W126-I439 HydrophobicContact CE3-CD1 3.59Å; W126-I439 HydrophobicContact CE3-CG1 4.33Å; W126-I439 HydrophobicContact CG-CB 4.39Å; W126-I439 HydrophobicContact CG-CD1 4.16Å; W126-I439 HydrophobicContact CH2-CD1 4.15Å; W126-I439 HydrophobicContact CH2-CG1 4.15Å; W126-I439 HydrophobicContact CZ2-CB 4.34Å; W126-I439 HydrophobicContact CZ2-CD1 4.18Å; W126-I439 HydrophobicContact CZ2-CG1 3.85Å; W126-I439 HydrophobicContact CZ3-CD1 3.87Å; W126-I439 HydrophobicContact CZ3-CG1 4.38Å
127F98.9Very high98.7Very high14 Ų1427.9 Ų27.96%0.06116%0.159CC..THydrogen-bonded Turntrans-69.1145.7172.2-74-101.3000110.4W123 N124 R129 V159 H161 F174 P176 H181 L182W123-F127 WeakPolarHBondContact O-CD2 3.48Å; N124-F127 PolarHBondContact O-N 2.82Å; F127-R129 PolarHBondContact O-N 2.79Å; F127-R129 VanDerWaalsContact O-N 3.14Å; F127-V159 CarbonylContact C-O 3.47Å; F127-V159 VanDerWaalsContact CA-O 3.3Å; F127-V159 WeakPolarHBondContact CA-O 3.35Å; F127-V159 HydrophobicContact CD1-CG1 3.76Å; F127-V159 HydrophobicContact CD2-CG1 4.48Å; F127-V159 HydrophobicContact CE1-CG1 3.73Å; F127-V159 HydrophobicContact CE2-CG1 4.48Å; F127-V159 HydrophobicContact CG-CG1 4.14Å; F127-V159 HydrophobicContact CZ-CG1 4.11Å; F127-H161 VanDerWaalsContact CB-CD2 3.44Å; F127-H161 WeakPolarHBondContact CB-CD2 3.12Å; F127-H161 WeakPolarHBondContact CB-NE2 3.39Å; F127-H161 AromaticContact CG-NE2 3.88Å; F127-F174 HydrophobicContact CD1-CZ 4.27Å; F127-F174 HydrophobicContact CD2-CE1 4.02Å; F127-F174 AromaticContact CD2-CZ 3.99Å; F127-F174 HydrophobicContact CD2-CZ 3.99Å; F127-F174 HydrophobicContact CE1-CZ 4.04Å; F127-F174 HydrophobicContact CE2-CE1 4.01Å; F127-F174 AromaticContact CE2-CZ 3.71Å; F127-F174 HydrophobicContact CE2-CZ 3.71Å; F127-F174 HydrophobicContact CG-CE1 4.49Å; F127-F174 HydrophobicContact CG-CZ 4.26Å; F127-F174 AromaticContact CZ-CZ 3.76Å; F127-F174 HydrophobicContact CZ-CZ 3.76Å; F127-P176 HydrophobicContact CE2-CB 3.86Å; F127-P176 HydrophobicContact CE2-CG 3.77Å; F127-P176 HydrophobicContact CZ-CB 3.64Å; F127-P176 HydrophobicContact CZ-CG 4.1Å; F127-H181 WeakPolarHBondContact CE1-O 3.3Å; F127-H181 HydrophobicContact CZ-CB 4.29Å; F127-H181 VanDerWaalsContact CZ-O 3.26Å; F127-H181 WeakPolarHBondContact CZ-O 3.36Å; F127-L182 HydrophobicContact CD2-CD2 4.19Å; F127-L182 HydrophobicContact CE2-CD2 3.35Å; F127-L182 HydrophobicContact CZ-CD2 3.75Å
128D98.8Very high98.6Very high68 Ų6828.8 Ų28.836%0.36416%0.16SC..THydrogen-bonded Turntrans57.425.8175.6-73.2-40.4000116.7R158 V159 H161D128-R158 VanDerWaalsContact C-CZ 3.4Å; D128-R158 VanDerWaalsContact CA-NE 3.33Å; D128-R158 VanDerWaalsContact CB-NH2 3.28Å; D128-R158 VanDerWaalsContact O-CZ 3.24Å; D128-R158 PolarHBondContact O-NH1 2.9Å; D128-R158 PolarHBondContact O-NH2 3.1Å; D128-R158 IonicContact OD1-CZ 3.67Å; D128-R158 IonicContact OD1-NE 3.28Å; D128-R158 PolarHBondContact OD1-NE 2.59Å; D128-R158 IonicContact OD1-NH2 3.21Å; D128-R158 PolarHBondContact OD1-NH2 3.1Å; D128-V159 PolarHBondContact N-O 3.16Å; D128-H161 WeakPolarHBondContact OD2-CB 3.37Å; D128-H161 IonicContact OD2-CD2 3.21Å; D128-H161 PolarHBondContact OD2-CD2 2.87Å; D128-H161 IonicContact OD2-CG 3.97Å; D128-H161 PolarHBondContact OD2-N 2.94Å
129R98.9Very high98.5Very high69 Ų6928 Ų2826%0.2616%0.157SC..  trans-95.5147.4172.2-65.1-70.7178.7173.4-8.2112T125 F127 L131 R158 D242 Q244 I439T125-R129 WeakPolarHBondContact O-CG 3.34Å; T125-R129 PolarHBondContact O-NE 3.26Å; F127-R129 PolarHBondContact O-N 2.79Å; F127-R129 VanDerWaalsContact O-N 3.14Å; R129-L131 HydrophobicContact CB-CD2 3.7Å; R129-L131 HydrophobicContact CB-CG 3.97Å; R129-L131 PolarHBondContact O-N 3.32Å; R129-R158 WeakPolarHBondContact O-CD 3.43Å; R129-D242 IonicContact NH1-OD2 2.78Å; R129-D242 PolarHBondContact NH1-OD2 3.27Å; R129-Q244 VanDerWaalsContact NH1-OE1 3.14Å; R129-I439 HydrophobicContact CB-CD1 4.33Å; R129-I439 HydrophobicContact CG-CD1 4.07Å; R129-I439 HydrophobicContact CG-CG2 4.21Å
130D98.9Very high98.3Very high77 Ų7732.7 Ų32.741%0.41217%0.171SC..  trans-82.399.3170.4-70.5-7.2000107.9P155 R158 T243D130-P155 HydrophobicContact CB-CB 4.02Å; D130-P155 HydrophobicContact CB-CG 4.04Å; D130-R158 IonicContact OD1-NH1 3.51Å; D130-R158 PolarHBondContact OD1-NH1 2.89Å; D130-T243 WeakPolarHBondContact CB-OG1 3.37Å; D130-T243 WeakPolarHBondContact O-CB 3.31Å; D130-T243 WeakPolarHBondContact O-CG2 3.49Å; D130-T243 PolarHBondContact O-N 2.95Å; D130-T243 PolarHBondContact O-OG1 3.5Å
131L98.9Very high98.1Very high0 Ų032.8 Ų32.80%017%0.165CC..EExtended strand (participates in β ladder)trans-101.6150.7-171.2-58.7172.2000111W126 R129 L156 L157 V159 L240 V241 I439W126-L131 HydrophobicContact CE3-CD1 4.37Å; W126-L131 HydrophobicContact CE3-CD2 4.21Å; W126-L131 HydrophobicContact CZ3-CD2 4.36Å; R129-L131 HydrophobicContact CB-CD2 3.7Å; R129-L131 HydrophobicContact CB-CG 3.97Å; R129-L131 PolarHBondContact O-N 3.32Å; L131-L156 PolarHBondContact O-N 3.17Å; L131-L157 WeakPolarHBondContact CA-O 3.45Å; L131-L157 HydrophobicContact CB-CB 3.97Å; L131-L157 WeakPolarHBondContact CB-O 3.44Å; L131-L157 PolarHBondContact N-O 2.89Å; L131-L157 PolarHBondContact O-N 3.46Å; L131-V159 HydrophobicContact CD1-CG2 4.07Å; L131-L240 HydrophobicContact CD1-CD2 4.05Å; L131-V241 CarbonylContact C-O 3.56Å; L131-V241 VanDerWaalsContact CA-O 3.3Å; L131-V241 WeakPolarHBondContact CA-O 3.45Å; L131-I439 HydrophobicContact CD2-CD1 3.6Å
132T98.9Very high97.8Very high1 Ų141.7 Ų41.71%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-130.5-176.1168.3-167.30000110.4V152 R154 L240 V241 T243T132-V152 WeakPolarHBondContact CB-O 3.5Å; T132-V152 WeakPolarHBondContact OG1-CB 3.3Å; T132-V152 PolarHBondContact OG1-O 3Å; T132-R154 VanDerWaalsContact CB-O 3.3Å; T132-R154 WeakPolarHBondContact CB-O 3.16Å; T132-R154 PolarHBondContact OG1-O 2.97Å; T132-R154 VanDerWaalsContact OG1-O 3.08Å; T132-L240 CarbonylContact O-C 3.57Å; T132-L240 VanDerWaalsContact O-CA 3.24Å; T132-L240 WeakPolarHBondContact O-CA 3.25Å; T132-V241 HydrophobicContact CG2-CB 4.2Å; T132-V241 PolarHBondContact N-O 2.95Å; T132-V241 PolarHBondContact O-N 3.25Å; T132-T243 HydrophobicContact CG2-CG2 3.67Å
133V98.8Very high97.5Very high0 Ų041.4 Ų41.40%022%0.22CC..EExtended strand (participates in β ladder)trans-114.1139.7173.4-64.50000111.3V99 V152 L156 L157 L222 L238 C239 L240V99-V133 HydrophobicContact CG2-CG1 4.29Å; V133-V152 HydrophobicContact CG2-CB 4.36Å; V133-V152 HydrophobicContact CG2-CG2 3.86Å; V133-V152 PolarHBondContact O-N 3.48Å; V133-V152 VanDerWaalsContact O-N 3.1Å; V133-L156 HydrophobicContact CG2-CD2 4.26Å; V133-L157 HydrophobicContact CG1-CD1 3.64Å; V133-L222 HydrophobicContact CG2-CD2 4.11Å; V133-L238 HydrophobicContact CB-CB 4.34Å; V133-L238 HydrophobicContact CB-CD1 4.34Å; V133-L238 HydrophobicContact CG2-CD1 4.39Å; V133-C239 WeakPolarHBondContact CA-O 3.24Å; V133-L240 HydrophobicContact CG1-CD1 4.42Å
134A98.8Very high97.3Very high0 Ų047 Ų470%025%0.247CC..EExtended strand (participates in β ladder)trans-143.6145.5168.700000111V26 I150 H151 C239 V241V26-A134 HydrophobicContact CB-CB 4.11Å; V26-A134 HydrophobicContact CG2-CB 3.45Å; V26-A134 VanDerWaalsContact CG2-CB 3.45Å; A134-I150 CarbonylContact C-O 3.53Å; A134-I150 WeakPolarHBondContact CA-O 3.06Å; A134-H151 HydrophobicContact CB-CB 3.97Å; A134-C239 PolarHBondContact N-O 3.43Å; A134-C239 PolarHBondContact O-N 3.36Å; A134-V241 HydrophobicContact CB-CG2 3.81Å
135G98.7Very high97.2Very high0 Ų050 Ų500%026%0.262CS..EExtended strand (participates in β ladder)trans167.9-142.2176.900000113H30 L149 I150 E237H30-G135 PolarHBondContact CE1-O 2.98Å; G135-L149 WeakPolarHBondContact O-CA 3.39Å; G135-I150 PolarHBondContact N-O 3.24Å; G135-I150 PolarHBondContact O-N 3.22Å; G135-E237 VanDerWaalsContact CA-O 3.31Å; G135-E237 WeakPolarHBondContact CA-O 3.33Å
136R98.4Very high97.1Very high27 Ų2749.8 Ų49.810%0.10226%0.261CS..EExtended strand (participates in β ladder)trans-121.7154.9176.470.7172176.9-168.2-5112.1Y29 N66 Q147 R148 L149 F236 E237Y29-R136 HydrophobicContact CD1-CG 4.31Å; Y29-R136 HydrophobicContact CD2-CB 4.05Å; Y29-R136 HydrophobicContact CD2-CG 4.07Å; Y29-R136 HydrophobicContact CE1-CG 4.05Å; Y29-R136 HydrophobicContact CE2-CB 4.28Å; Y29-R136 HydrophobicContact CE2-CG 3.8Å; Y29-R136 HydrophobicContact CG-CB 4.18Å; Y29-R136 HydrophobicContact CG-CG 4.33Å; N66-R136 PolarHBondContact O-NH1 3.02Å; N66-R136 VanDerWaalsContact OD1-CZ 3.28Å; N66-R136 PolarHBondContact OD1-NH1 2.7Å; N66-R136 PolarHBondContact OD1-NH2 2.9Å; R136-Q147 HydrophobicContact CB-CG 4.04Å; R136-Q147 VanDerWaalsContact NH1-OE1 3.1Å; R136-R148 CarbonylContact C-O 3.56Å; R136-R148 WeakPolarHBondContact CA-O 3.27Å; R136-L149 HydrophobicContact CB-CD2 4.13Å; R136-F236 WeakPolarHBondContact O-CA 3.34Å; R136-F236 WeakPolarHBondContact O-CB 3.44Å; R136-E237 HydrophobicContact CG-CB 4.1Å; R136-E237 IonicContact CZ-OE2 3.23Å; R136-E237 PolarHBondContact N-O 3.36Å; R136-E237 IonicContact NE-OE2 2.91Å; R136-E237 PolarHBondContact NE-OE2 3.46Å; R136-E237 IonicContact NH2-OE1 3.08Å; R136-E237 IonicContact NH2-OE2 2.7Å; R136-E237 PolarHBondContact NH2-OE2 3.07Å; R136-E237 PolarHBondContact O-N 3.49Å
137V98Very high97Very high0 Ų051.8 Ų51.80%027%0.27CS..EExtended strand (participates in β ladder)trans-131.5135.9177-1760000109.1V139 Q147 R148 I150 L226 L233 F236V137-V139 HydrophobicContact CG1-CG1 3.82Å; V137-Q147 CarbonylContact O-C 3.26Å; V137-Q147 WeakPolarHBondContact O-CA 3.26Å; V137-R148 PolarHBondContact N-O 3.33Å; V137-R148 PolarHBondContact O-N 3.26Å; V137-I150 HydrophobicContact CG2-CB 4.3Å; V137-I150 HydrophobicContact CG2-CG2 3.58Å; V137-L226 HydrophobicContact CB-CD1 3.84Å; V137-L226 HydrophobicContact CG1-CD1 3.77Å; V137-L226 HydrophobicContact CG2-CD1 3.86Å; V137-L233 HydrophobicContact CG1-CD1 3.07Å; V137-F236 HydrophobicContact CB-CB 4.39Å; V137-F236 HydrophobicContact CG1-CB 4.37Å; V137-F236 HydrophobicContact CG2-CB 3.91Å
138M97.6Very high97Very high59 Ų5956.4 Ų56.429%0.29129%0.287SS..EExtended strand (participates in β ladder)trans-95.9119.4172.2-59.4-50.9-61.500108.7Q147 L234 D235M138-Q147 HydrophobicContact CE-CB 4.38Å; M138-Q147 HydrophobicContact SD-CB 4Å; M138-Q147 HydrophobicContact SD-CG 4.12Å; M138-L234 HydrophobicContact CB-CB 4.3Å; M138-L234 WeakPolarHBondContact O-CB 3.4Å; M138-L234 PolarHBondContact O-N 3.42Å; M138-D235 PolarHBondContact N-O 3Å; M138-D235 PolarHBondContact O-N 3.39Å
139V96.3Very high97Very high2 Ų255.5 Ų55.51%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-121.2146-179.1-60.20000111.4V137 V146 R148 V228 S232V137-V139 HydrophobicContact CG1-CG1 3.82Å; V139-V146 HydrophobicContact CG2-CB 4.33Å; V139-V146 WeakPolarHBondContact CG2-O 3.49Å; V139-V146 PolarHBondContact N-O 3.34Å; V139-V146 PolarHBondContact O-N 3.27Å; V139-R148 HydrophobicContact CG2-CG 3.94Å; V139-V228 HydrophobicContact CG1-CG2 4.32Å; V139-S232 CarbonylContact C-O 3.45Å; V139-S232 WeakPolarHBondContact CA-O 3.43Å
140K95.1Very high96.9Very high121 Ų12152.4 Ų52.453%0.52627%0.271SS..EExtended strand (participates in β ladder)trans-86.8115.9165.8-167.8176-178.3179.90108.9Q144 S232 L234K140-Q144 CarbonylContact C-O 3.55Å; K140-Q144 WeakPolarHBondContact CA-O 3.37Å; K140-S232 PolarHBondContact N-O 3.15Å; K140-L234 HydrophobicContact CB-CD1 4.15Å; K140-L234 HydrophobicContact CB-CD2 4.33Å; K140-L234 HydrophobicContact CB-CG 4.35Å
141S93.8Very high96.9Very high45 Ų4551.8 Ų51.832%0.31527%0.265SS..EExtended strand (participates in β ladder)trans-133.5125.1178.9-171.70000109.2G143 Q144S141-G143 PolarHBondContact O-N 2.96Å; S141-G143 VanDerWaalsContact O-N 3.12Å; S141-Q144 PolarHBondContact N-O 3.44Å; S141-Q144 PolarHBondContact O-N 3.34Å
142E91.8Very high96.9Very high195 Ų19551.9 Ų51.991%0.91127%0.266SS*.THydrogen-bonded Turntrans51.937.5177.2-58.2179.7-179.400113.8Q144E142-Q144 PolarHBondContact O-N 3.36Å
143G91.3Very high96.8Very high68 Ų6856.5 Ų56.570%0.70130%0.296SS*.THydrogen-bonded Turntrans79-1.5-178.600000115.2S141S141-G143 PolarHBondContact O-N 2.96Å; S141-G143 VanDerWaalsContact O-N 3.12Å
144Q95.2Very high96.7Very high133 Ų13362.3 Ų62.362%0.62132%0.318SS*.EExtended strand (participates in β ladder)trans-103.5154.3177.1-60.9-175-1800111.9K140 S141 E142 V146K140-Q144 CarbonylContact C-O 3.55Å; K140-Q144 WeakPolarHBondContact CA-O 3.37Å; S141-Q144 PolarHBondContact N-O 3.44Å; S141-Q144 PolarHBondContact O-N 3.34Å; E142-Q144 PolarHBondContact O-N 3.36Å; Q144-V146 HydrophobicContact CB-CG2 3.97Å
145L96.6Very high96.7Very high127 Ų12765.6 Ų65.667%0.66534%0.339SS*.EExtended strand (participates in β ladder)trans-93.6119.1169.3-51-178.2000107.9L234L145-L234 HydrophobicContact CD2-CD1 3.41Å; L145-L234 VanDerWaalsContact CD2-CD1 3.41Å
146V96.6Very high96.7Very high32 Ų3266.6 Ų66.619%0.19434%0.344CS..EExtended strand (participates in β ladder)trans-129.7137.8-171.5-158.70000110.5V139 Q144V139-V146 HydrophobicContact CG2-CB 4.33Å; V139-V146 WeakPolarHBondContact CG2-O 3.49Å; V139-V146 PolarHBondContact N-O 3.34Å; V139-V146 PolarHBondContact O-N 3.27Å; Q144-V146 HydrophobicContact CB-CG2 3.97Å
147Q97.3Very high96.7Very high50 Ų5065.6 Ų65.623%0.23434%0.341CS..EExtended strand (participates in β ladder)trans-80.6140170.2-170.2-177.3-90.200110.2F67 R136 V137 M138F67-Q147 VanDerWaalsContact CB-NE2 3.34Å; F67-Q147 VanDerWaalsContact CG-NE2 3.27Å; R136-Q147 HydrophobicContact CB-CG 4.04Å; R136-Q147 VanDerWaalsContact NH1-OE1 3.1Å; V137-Q147 CarbonylContact O-C 3.26Å; V137-Q147 WeakPolarHBondContact O-CA 3.26Å; M138-Q147 HydrophobicContact CE-CB 4.38Å; M138-Q147 HydrophobicContact SD-CB 4Å; M138-Q147 HydrophobicContact SD-CG 4.12Å
148R97.9Very high96.8Very high110 Ų11069.9 Ų69.942%0.41536%0.357SS..EExtended strand (participates in β ladder)trans-130.2139.1166.5-64.3-70.9179.2-1041.3109.2R136 V137 V139 L226R136-R148 CarbonylContact C-O 3.56Å; R136-R148 WeakPolarHBondContact CA-O 3.27Å; V137-R148 PolarHBondContact N-O 3.33Å; V137-R148 PolarHBondContact O-N 3.26Å; V139-R148 HydrophobicContact CG2-CG 3.94Å; R148-L226 HydrophobicContact CB-CD2 3.59Å; R148-L226 HydrophobicContact CG-CD2 4.3Å
149L98.6Very high96.8Very high49 Ų4967.1 Ų67.126%0.25734%0.343SS..EExtended strand (participates in β ladder)trans-80.9149.3167.2-62.8-167.5000109.6Y29 E33 F67 G135 R136Y29-L149 HydrophobicContact CG-CD2 4.47Å; E33-L149 HydrophobicContact CB-CD1 3.71Å; E33-L149 HydrophobicContact CG-CD1 4.05Å; F67-L149 HydrophobicContact CD1-CD2 4.23Å; F67-L149 HydrophobicContact CE1-CD1 4.09Å; F67-L149 HydrophobicContact CE1-CD2 4.21Å; F67-L149 HydrophobicContact CE1-CG 4.32Å; G135-L149 WeakPolarHBondContact O-CA 3.39Å; R136-L149 HydrophobicContact CB-CD2 4.13Å
150I98.6Very high96.9Very high5 Ų569.7 Ų69.73%0.02636%0.36CS..EExtended strand (participates in β ladder)trans-139.7139.4174.4-174.5168000109.8H30 A134 G135 V137 V152 L222 E225 L226 L238H30-I150 PolarHBondContact CE1-O 2.95Å; A134-I150 CarbonylContact C-O 3.53Å; A134-I150 WeakPolarHBondContact CA-O 3.06Å; G135-I150 PolarHBondContact N-O 3.24Å; G135-I150 PolarHBondContact O-N 3.22Å; V137-I150 HydrophobicContact CG2-CB 4.3Å; V137-I150 HydrophobicContact CG2-CG2 3.58Å; I150-V152 HydrophobicContact CD1-CG2 4.39Å; I150-L222 HydrophobicContact CD1-CB 4Å; I150-L222 HydrophobicContact CD1-CD2 3.53Å; I150-L222 HydrophobicContact CD1-CG 4.36Å; I150-E225 HydrophobicContact CD1-CB 3.75Å; I150-E225 HydrophobicContact CD1-CG 3.96Å; I150-E225 HydrophobicContact CG1-CB 4.22Å; I150-E225 HydrophobicContact CG1-CG 3.84Å; I150-L226 HydrophobicContact CB-CD2 4.29Å; I150-L226 HydrophobicContact CD1-CD1 4.38Å; I150-L226 HydrophobicContact CD1-CG 4.11Å; I150-L238 HydrophobicContact CG2-CD2 3.57Å
151H98.6Very high97.1Very high64 Ų6467.2 Ų67.230%0.29635%0.35SS..EExtended strand (participates in β ladder)trans-144.1117.9167172.3-151.9000107.7V26 A134 P153V26-H151 HydrophobicContact CG2-CB 4.37Å; A134-H151 HydrophobicContact CB-CB 3.97Å; H151-P153 VanDerWaalsContact O-CD 3.3Å; H151-P153 WeakPolarHBondContact O-CD 3.41Å
152V98.5Very high97.3Very high1 Ų169.5 Ų69.51%0.00636%0.358CS..  trans-81.5112.7179.4176.80000108.5T132 V133 I150 R154 V221T132-V152 WeakPolarHBondContact CB-O 3.5Å; T132-V152 WeakPolarHBondContact OG1-CB 3.3Å; T132-V152 PolarHBondContact OG1-O 3Å; V133-V152 HydrophobicContact CG2-CB 4.36Å; V133-V152 HydrophobicContact CG2-CG2 3.86Å; V133-V152 PolarHBondContact O-N 3.48Å; V133-V152 VanDerWaalsContact O-N 3.1Å; I150-V152 HydrophobicContact CD1-CG2 4.39Å; V152-R154 HydrophobicContact CG1-CG 3.91Å; V152-R154 PolarHBondContact O-N 2.63Å; V152-V221 HydrophobicContact CG1-CG1 4.07Å; V152-V221 HydrophobicContact CG2-CG1 3.76Å
153P96.1Very high97.7Very high98 Ų9862.7 Ų62.764%0.63634%0.336SS*.  trans-85.243.2-165.436.2-37.6000113H151H151-P153 VanDerWaalsContact O-CD 3.3Å; H151-P153 WeakPolarHBondContact O-CD 3.41Å
154R98Very high98Very high122 Ų12263 Ų6346%0.4632%0.32SS..SBendtrans-158.2156.3177.759.8176.5-178.480.3-1.9111.4T132 V152 L156T132-R154 VanDerWaalsContact CB-O 3.3Å; T132-R154 WeakPolarHBondContact CB-O 3.16Å; T132-R154 PolarHBondContact OG1-O 2.97Å; T132-R154 VanDerWaalsContact OG1-O 3.08Å; V152-R154 HydrophobicContact CG1-CG 3.91Å; V152-R154 PolarHBondContact O-N 2.63Å; R154-L156 PolarHBondContact O-N 3.47Å
155P98.6Very high98.2Very high69 Ų6963.8 Ų63.845%0.44832%0.324SS..  trans-57.3128170.4-23.433.9000111.2D130 T243D130-P155 HydrophobicContact CB-CB 4.02Å; D130-P155 HydrophobicContact CB-CG 4.04Å; P155-T243 HydrophobicContact CG-CG2 4.22Å
156L98.1Very high98.2Very high22 Ų2264.1 Ų64.112%0.11533%0.326CS..  trans-126.6-30.7-178.7-176.765.9000112.1L131 V133 R154 L186 L218 V221L131-L156 PolarHBondContact O-N 3.17Å; V133-L156 HydrophobicContact CG2-CD2 4.26Å; R154-L156 PolarHBondContact O-N 3.47Å; L156-L186 HydrophobicContact CD1-CD1 3.67Å; L156-L186 HydrophobicContact CD2-CD1 4.06Å; L156-L186 HydrophobicContact CG-CD1 3.62Å; L156-L218 HydrophobicContact CD2-CD1 4.34Å; L156-V221 HydrophobicContact CD2-CG1 4.35Å
157L98.9Very high98.3Very high5 Ų565 Ų653%0.02633%0.328CS..BIsolated β-bridgetrans-129.2150.1-168.5-66.8170.8000110.5V113 L131 V133 P184 I185 L186 L240V113-L157 HydrophobicContact CB-CD2 4.35Å; V113-L157 HydrophobicContact CG2-CD2 3.96Å; L131-L157 WeakPolarHBondContact CA-O 3.45Å; L131-L157 HydrophobicContact CB-CB 3.97Å; L131-L157 WeakPolarHBondContact CB-O 3.44Å; L131-L157 PolarHBondContact N-O 2.89Å; L131-L157 PolarHBondContact O-N 3.46Å; V133-L157 HydrophobicContact CG1-CD1 3.64Å; L157-P184 HydrophobicContact CB-CB 4.04Å; L157-P184 HydrophobicContact CD2-CB 4.1Å; L157-P184 HydrophobicContact CD2-CG 4.29Å; L157-P184 HydrophobicContact CG-CB 4.5Å; L157-I185 WeakPolarHBondContact CA-O 3.48Å; L157-L186 HydrophobicContact CD2-CB 3.93Å; L157-L186 HydrophobicContact CD2-CD1 3.94Å; L157-L240 HydrophobicContact CD1-CD1 4.2Å; L157-L240 HydrophobicContact CD1-CD2 3.99Å; L157-L240 HydrophobicContact CD1-CG 3.82Å
158R98.9Very high98.3Very high91 Ų9172.9 Ų72.934%0.34336%0.355SS..BIsolated β-bridgetrans-144.8131.5176.5-17767.3169.5-136.66.1110.2D128 R129 D130 P160 P184 I185D128-R158 VanDerWaalsContact C-CZ 3.4Å; D128-R158 VanDerWaalsContact CA-NE 3.33Å; D128-R158 VanDerWaalsContact CB-NH2 3.28Å; D128-R158 VanDerWaalsContact O-CZ 3.24Å; D128-R158 PolarHBondContact O-NH1 2.9Å; D128-R158 PolarHBondContact O-NH2 3.1Å; D128-R158 IonicContact OD1-CZ 3.67Å; D128-R158 IonicContact OD1-NE 3.28Å; D128-R158 PolarHBondContact OD1-NE 2.59Å; D128-R158 IonicContact OD1-NH2 3.21Å; D128-R158 PolarHBondContact OD1-NH2 3.1Å; R129-R158 WeakPolarHBondContact O-CD 3.43Å; D130-R158 IonicContact OD1-NH1 3.51Å; D130-R158 PolarHBondContact OD1-NH1 2.89Å; R158-P160 VanDerWaalsContact O-CD 3.28Å; R158-P160 WeakPolarHBondContact O-CD 3.19Å; R158-P184 CarbonylContact O-C 3.34Å; R158-P184 VanDerWaalsContact O-CA 3.24Å; R158-P184 WeakPolarHBondContact O-CA 3.3Å; R158-I185 PolarHBondContact N-O 2.65Å; R158-I185 PolarHBondContact O-N 2.65Å
159V98.9Very high98.2Very high0 Ų072 Ų720%036%0.359CS..  trans-101.395.7167.5-177.30000107.7L97 F127 D128 L131 P184L97-V159 HydrophobicContact CD1-CG2 4.41Å; F127-V159 CarbonylContact C-O 3.47Å; F127-V159 VanDerWaalsContact CA-O 3.3Å; F127-V159 WeakPolarHBondContact CA-O 3.35Å; F127-V159 HydrophobicContact CD1-CG1 3.76Å; F127-V159 HydrophobicContact CD2-CG1 4.48Å; F127-V159 HydrophobicContact CE1-CG1 3.73Å; F127-V159 HydrophobicContact CE2-CG1 4.48Å; F127-V159 HydrophobicContact CG-CG1 4.14Å; F127-V159 HydrophobicContact CZ-CG1 4.11Å; D128-V159 PolarHBondContact N-O 3.16Å; L131-V159 HydrophobicContact CD1-CG2 4.07Å; V159-P184 HydrophobicContact CG2-CB 3.9Å
160P98.6Very high98.1Very high56 Ų5670.7 Ų70.736%0.36435%0.353SS..PPolyproline II helixtrans-78.9145.6-175.131.9-35.8000112.2R158 I185R158-P160 VanDerWaalsContact O-CD 3.28Å; R158-P160 WeakPolarHBondContact O-CD 3.19Å; P160-I185 HydrophobicContact CG-CD1 3.88Å
161H98.8Very high98.1Very high70 Ų7076.9 Ų76.932%0.32439%0.386SS..PPolyproline II helixtrans-66153.2163.9-93-78.4000111.8F127 D128 F174F127-H161 VanDerWaalsContact CB-CD2 3.44Å; F127-H161 WeakPolarHBondContact CB-CD2 3.12Å; F127-H161 WeakPolarHBondContact CB-NE2 3.39Å; F127-H161 AromaticContact CG-NE2 3.88Å; D128-H161 WeakPolarHBondContact OD2-CB 3.37Å; D128-H161 IonicContact OD2-CD2 3.21Å; D128-H161 PolarHBondContact OD2-CD2 2.87Å; D128-H161 IonicContact OD2-CG 3.97Å; D128-H161 PolarHBondContact OD2-N 2.94Å; H161-F174 AromaticContact CE1-CD1 3.88Å; H161-F174 AromaticContact CE1-CE1 3.28Å; H161-F174 WeakPolarHBondContact CE1-CE1 3.18Å; H161-F174 AromaticContact CE1-CE2 3.76Å; H161-F174 AromaticContact CE1-CZ 3.21Å; H161-F174 WeakPolarHBondContact CE1-CZ 3.35Å; H161-F174 AromaticContact ND1-CE2 3.86Å; H161-F174 AromaticContact ND1-CZ 3.61Å
162L98.5Very high98Very high92 Ų9280.9 Ų80.948%0.48241%0.41SS..PPolyproline II helixtrans-71.8136.6158.1-178.860.9000108.8I164 L166 Q167L162-I164 PolarHBondContact O-N 2.76Å; L162-L166 HydrophobicContact CD1-CB 4.01Å; L162-L166 HydrophobicContact CD1-CD1 3.87Å; L162-L166 HydrophobicContact CD2-CB 4.17Å; L162-L166 HydrophobicContact CG-CB 4.06Å; L162-Q167 HydrophobicContact CD2-CB 4.06Å; L162-Q167 HydrophobicContact CG-CB 4.5Å
163A98.6Very high97.9Very high53 Ų5384.8 Ų84.844%0.43844%0.437SS..PPolyproline II helixtrans-60.1135.3178.500000111.4H165 L166 Q167A163-H165 PolarHBondContact O-N 3.09Å; A163-L166 PolarHBondContact O-N 3.43Å; A163-Q167 PolarHBondContact O-N 3.13Å
164I98.4Very high98Very high73 Ų7382.2 Ų82.237%0.37442%0.416SS..G310 helixtrans-53-29.8-179.6-172.6163.3000113.9L162 L166 Q167 R168 V170L162-I164 PolarHBondContact O-N 2.76Å; I164-L166 PolarHBondContact O-N 2.89Å; I164-L166 VanDerWaalsContact O-N 3.15Å; I164-Q167 CarbonylContact O-C 3.5Å; I164-Q167 PolarHBondContact O-N 3Å; I164-Q167 VanDerWaalsContact O-O 3.14Å; I164-R168 WeakPolarHBondContact O-CA 3.27Å; I164-R168 PolarHBondContact O-N 3.19Å; I164-V170 HydrophobicContact CB-CG1 4.21Å; I164-V170 HydrophobicContact CD1-CG1 3.87Å; I164-V170 HydrophobicContact CG1-CG1 3.76Å
165H98.4Very high97.9Very high151 Ų15179.7 Ų79.770%0.69943%0.428SS*.G310 helixtrans-59.3-27.1175.7-54.890.6000113.2A163A163-H165 PolarHBondContact O-N 3.09Å
166L98.3Very high97.9Very high134 Ų13477.3 Ų77.370%0.70241%0.412SS*.G310 helixtrans-102.7-4.2178.5-58.7177.2000113L162 A163 I164L162-L166 HydrophobicContact CD1-CB 4.01Å; L162-L166 HydrophobicContact CD1-CD1 3.87Å; L162-L166 HydrophobicContact CD2-CB 4.17Å; L162-L166 HydrophobicContact CG-CB 4.06Å; A163-L166 PolarHBondContact O-N 3.43Å; I164-L166 PolarHBondContact O-N 2.89Å; I164-L166 VanDerWaalsContact O-N 3.15Å
167Q97.4Very high97.9Very high51 Ų5179.8 Ų79.824%0.23843%0.425CS..  trans-14674.4175.3-169.9-176.8-3.600109.1L162 A163 I164 D169 V170L162-Q167 HydrophobicContact CD2-CB 4.06Å; L162-Q167 HydrophobicContact CG-CB 4.5Å; A163-Q167 PolarHBondContact O-N 3.13Å; I164-Q167 CarbonylContact O-C 3.5Å; I164-Q167 PolarHBondContact O-N 3Å; I164-Q167 VanDerWaalsContact O-O 3.14Å; Q167-D169 PolarHBondContact O-N 3.42Å; Q167-V170 HydrophobicContact CB-CB 4.43Å; Q167-V170 HydrophobicContact CG-CB 3.98Å; Q167-V170 WeakPolarHBondContact O-CB 3.44Å; Q167-V170 WeakPolarHBondContact O-CG1 3.39Å; Q167-V170 PolarHBondContact O-N 2.92Å
168R96.9Very high97.9Very high214 Ų21485.3 Ų85.381%0.80845%0.449SS*.THydrogen-bonded Turntrans-66.3-23.9-166.5-68.9-171.6175-138.41.2114.2I164I164-R168 WeakPolarHBondContact O-CA 3.27Å; I164-R168 PolarHBondContact O-N 3.19Å
169D96.8Very high97.9Very high93 Ų9384.6 Ų84.650%0.49745%0.45SS..THydrogen-bonded Turntrans-93.46.4-178.360.1-25000113.4Q167 N171 D172 S173Q167-D169 PolarHBondContact O-N 3.42Å; D169-N171 PolarHBondContact O-N 3.03Å; D169-N171 VanDerWaalsContact O-N 3.12Å; D169-D172 WeakPolarHBondContact O-CB 3.21Å; D169-D172 PolarHBondContact O-N 3.23Å; D169-S173 PolarHBondContact O-N 2.86Å
170V97.1Very high97.8Very high20 Ų2089.6 Ų89.612%0.12148%0.477CS..THydrogen-bonded Turntrans-57.9-30.3-175.970.70000113.9I164 Q167 D172 S173 F174I164-V170 HydrophobicContact CB-CG1 4.21Å; I164-V170 HydrophobicContact CD1-CG1 3.87Å; I164-V170 HydrophobicContact CG1-CG1 3.76Å; Q167-V170 HydrophobicContact CB-CB 4.43Å; Q167-V170 HydrophobicContact CG-CB 3.98Å; Q167-V170 WeakPolarHBondContact O-CB 3.44Å; Q167-V170 WeakPolarHBondContact O-CG1 3.39Å; Q167-V170 PolarHBondContact O-N 2.92Å; V170-D172 VanDerWaalsContact C-N 3.34Å; V170-S173 CarbonylContact O-C 3.05Å; V170-F174 HydrophobicContact CG2-CB 4.11Å; V170-F174 HydrophobicContact CG2-CD2 3.7Å; V170-F174 HydrophobicContact CG2-CE2 4.46Å; V170-F174 HydrophobicContact CG2-CG 4.09Å
171N97.1Very high97.8Very high136 Ų13692.1 Ų92.173%0.72748%0.483SS*.THydrogen-bonded Turntrans-75.7-23.9178-69.6-26.2000112.7D169D169-N171 PolarHBondContact O-N 3.03Å; D169-N171 VanDerWaalsContact O-N 3.12Å
172D97.2Very high97.8Very high148 Ų14888.8 Ų88.879%0.79147%0.468SS*.THydrogen-bonded Turntrans-85.2-37.6177.6-58.1-39.7000110.5D169 V170D169-D172 WeakPolarHBondContact O-CB 3.21Å; D169-D172 PolarHBondContact O-N 3.23Å; V170-D172 VanDerWaalsContact C-N 3.34Å
173S96.4Very high97.8Very high83 Ų8385 Ų8558%0.5845%0.448SS*.  trans-153.2122.7177.3-173.80000112.3D169 V170D169-S173 PolarHBondContact O-N 2.86Å; V170-S173 CarbonylContact O-C 3.05Å
174F97.7Very high97.8Very high43 Ų4382.4 Ų82.419%0.18943%0.427CS..  trans-124.298.3173.5-177.4-125.4000111.2N124 F127 H161 V170 P176N124-F174 HydrophobicContact CB-CD1 3.83Å; N124-F174 HydrophobicContact CB-CE1 3.77Å; N124-F174 VanDerWaalsContact CG-CE1 3.41Å; N124-F174 WeakPolarHBondContact ND2-CD1 3.38Å; N124-F174 PolarHBondContact ND2-O 2.92Å; N124-F174 VanDerWaalsContact ND2-O 3.09Å; N124-F174 WeakPolarHBondContact OD1-CD1 3.24Å; N124-F174 WeakPolarHBondContact OD1-CE1 3.26Å; F127-F174 HydrophobicContact CD1-CZ 4.27Å; F127-F174 HydrophobicContact CD2-CE1 4.02Å; F127-F174 AromaticContact CD2-CZ 3.99Å; F127-F174 HydrophobicContact CD2-CZ 3.99Å; F127-F174 HydrophobicContact CE1-CZ 4.04Å; F127-F174 HydrophobicContact CE2-CE1 4.01Å; F127-F174 AromaticContact CE2-CZ 3.71Å; F127-F174 HydrophobicContact CE2-CZ 3.71Å; F127-F174 HydrophobicContact CG-CE1 4.49Å; F127-F174 HydrophobicContact CG-CZ 4.26Å; F127-F174 AromaticContact CZ-CZ 3.76Å; F127-F174 HydrophobicContact CZ-CZ 3.76Å; H161-F174 AromaticContact CE1-CD1 3.88Å; H161-F174 AromaticContact CE1-CE1 3.28Å; H161-F174 WeakPolarHBondContact CE1-CE1 3.18Å; H161-F174 AromaticContact CE1-CE2 3.76Å; H161-F174 AromaticContact CE1-CZ 3.21Å; H161-F174 WeakPolarHBondContact CE1-CZ 3.35Å; H161-F174 AromaticContact ND1-CE2 3.86Å; H161-F174 AromaticContact ND1-CZ 3.61Å; V170-F174 HydrophobicContact CG2-CB 4.11Å; V170-F174 HydrophobicContact CG2-CD2 3.7Å; V170-F174 HydrophobicContact CG2-CE2 4.46Å; V170-F174 HydrophobicContact CG2-CG 4.09Å; F174-P176 HydrophobicContact CE1-CG 3.93Å; F174-P176 HydrophobicContact CE2-CB 4.15Å; F174-P176 HydrophobicContact CE2-CG 4.34Å; F174-P176 HydrophobicContact CZ-CB 3.87Å; F174-P176 HydrophobicContact CZ-CG 3.79Å; F174-P176 WeakPolarHBondContact O-CD 3.4Å
175G97.1Very high97.8Very high69 Ų6981.8 Ų81.871%0.71142%0.424SS*.  trans-118.979176.900000111.8N177G175-N177 PolarHBondContact O-N 3.18Å
176P97.5Very high97.8Very high19 Ų1975.8 Ų75.812%0.12340%0.397CS..  trans-64.3135.7-178.826.6-33.6000111.2N124 F127 F174 K178 H181N124-P176 WeakPolarHBondContact OD1-CD 3.41Å; N124-P176 WeakPolarHBondContact OD1-CG 3.49Å; F127-P176 HydrophobicContact CE2-CB 3.86Å; F127-P176 HydrophobicContact CE2-CG 3.77Å; F127-P176 HydrophobicContact CZ-CB 3.64Å; F127-P176 HydrophobicContact CZ-CG 4.1Å; F174-P176 HydrophobicContact CE1-CG 3.93Å; F174-P176 HydrophobicContact CE2-CB 4.15Å; F174-P176 HydrophobicContact CE2-CG 4.34Å; F174-P176 HydrophobicContact CZ-CB 3.87Å; F174-P176 HydrophobicContact CZ-CG 3.79Å; F174-P176 WeakPolarHBondContact O-CD 3.4Å; P176-K178 PolarHBondContact O-N 3.43Å; P176-H181 HydrophobicContact CB-CB 3.96Å
177N98.5Very high97.8Very high74 Ų7470.6 Ų70.640%0.39638%0.376SS..  trans-66.6118.4169.8178.8-82.8000109G175 E179 N180 H181G175-N177 PolarHBondContact O-N 3.18Å; N177-E179 PolarHBondContact O-N 3.14Å; N177-E179 VanDerWaalsContact O-N 3.14Å; N177-E179 WeakPolarHBondContact OD1-CB 3.43Å; N177-E179 PolarHBondContact OD1-N 2.87Å; N177-N180 HydrophobicContact CB-CB 4.35Å; N177-N180 PolarHBondContact O-N 3.36Å; N177-N180 WeakPolarHBondContact OD1-CB 3.4Å; N177-N180 PolarHBondContact OD1-N 2.78Å; N177-N180 PolarHBondContact OD1-ND2 2.93Å; N177-H181 PolarHBondContact N-ND1 3.03Å; N177-H181 WeakPolarHBondContact O-CB 3.26Å; N177-H181 PolarHBondContact O-N 3.49Å
178K98.4Very high97.8Very high122 Ų12271 Ų7153%0.5338%0.382SS..THydrogen-bonded Turntrans-59.4-27.7-173.9-64.4-177.7-177.7-178.40114.1P176 L182P176-K178 PolarHBondContact O-N 3.43Å; K178-L182 HydrophobicContact CB-CD1 4.04Å; K178-L182 HydrophobicContact CG-CD1 4.18Å
179E98.4Very high97.7Very high75 Ų7562 Ų6235%0.3535%0.353SS..THydrogen-bonded Turntrans-86.1-39.1-178.717954.7-143.500112.8K100 R105 N177 V183K100-E179 VanDerWaalsContact NZ-CD 3.27Å; K100-E179 IonicContact NZ-OE1 3.42Å; K100-E179 PolarHBondContact NZ-OE1 3.08Å; K100-E179 VanDerWaalsContact NZ-OE1 3.08Å; K100-E179 IonicContact NZ-OE2 2.74Å; K100-E179 PolarHBondContact NZ-OE2 2.72Å; R105-E179 IonicContact CZ-OE1 3.68Å; R105-E179 PolarHBondContact NH1-O 2.86Å; R105-E179 IonicContact NH1-OE1 3.7Å; R105-E179 PolarHBondContact NH1-OE1 3.34Å; R105-E179 IonicContact NH2-OE1 2.73Å; R105-E179 PolarHBondContact NH2-OE1 2.96Å; N177-E179 PolarHBondContact O-N 3.14Å; N177-E179 VanDerWaalsContact O-N 3.14Å; N177-E179 WeakPolarHBondContact OD1-CB 3.43Å; N177-E179 PolarHBondContact OD1-N 2.87Å; E179-V183 VanDerWaalsContact O-CG2 3.25Å; E179-V183 WeakPolarHBondContact O-CG2 3.35Å
180N97.8Very high97.7Very high105 Ų10562.4 Ų62.456%0.56136%0.359SS*.THydrogen-bonded Turntrans-98.9-29.6-170.4-68.4-46.7000113.7N177N177-N180 HydrophobicContact CB-CB 4.35Å; N177-N180 PolarHBondContact O-N 3.36Å; N177-N180 WeakPolarHBondContact OD1-CB 3.4Å; N177-N180 PolarHBondContact OD1-N 2.78Å; N177-N180 PolarHBondContact OD1-ND2 2.93Å
181H98.7Very high97.6Very high109 Ų10965.9 Ų65.951%0.50537%0.374SS..THydrogen-bonded Turntrans-107.7-9.9-169.4-56.4166.1000113.7F127 P176 N177F127-H181 WeakPolarHBondContact CE1-O 3.3Å; F127-H181 HydrophobicContact CZ-CB 4.29Å; F127-H181 VanDerWaalsContact CZ-O 3.26Å; F127-H181 WeakPolarHBondContact CZ-O 3.36Å; P176-H181 HydrophobicContact CB-CB 3.96Å; N177-H181 PolarHBondContact N-ND1 3.03Å; N177-H181 WeakPolarHBondContact O-CB 3.26Å; N177-H181 PolarHBondContact O-N 3.49Å
182L98.6Very high97.5Very high0 Ų060.2 Ų60.20%034%0.343CS..SBendtrans-96.310.7176.1-65.2175.9000113.5L97 V115 C117 W123 F127 K178 P184L97-L182 HydrophobicContact CD2-CD1 4.19Å; V115-L182 WeakPolarHBondContact CG2-O 3.39Å; C117-L182 VanDerWaalsContact SG-CD1 3.52Å; W123-L182 HydrophobicContact CB-CD1 3.89Å; W123-L182 HydrophobicContact CB-CD2 4.05Å; W123-L182 HydrophobicContact CD2-CD1 4.31Å; W123-L182 HydrophobicContact CG-CD1 3.97Å; F127-L182 HydrophobicContact CD2-CD2 4.19Å; F127-L182 HydrophobicContact CE2-CD2 3.35Å; F127-L182 HydrophobicContact CZ-CD2 3.75Å; K178-L182 HydrophobicContact CB-CD1 4.04Å; K178-L182 HydrophobicContact CG-CD1 4.18Å; L182-P184 WeakPolarHBondContact O-CD 3.45Å
183V98.7Very high97.3Very high12 Ų1258.2 Ų58.27%0.07333%0.329CS..  trans-81.9107.3-174.5-168.20000110.1Q112 V113 E179Q112-V183 HydrophobicContact CB-CG1 3.79Å; Q112-V183 HydrophobicContact CG-CG1 4.4Å; Q112-V183 PolarHBondContact NE2-O 2.73Å; V113-V183 WeakPolarHBondContact O-CG1 3.32Å; E179-V183 VanDerWaalsContact O-CG2 3.25Å; E179-V183 WeakPolarHBondContact O-CG2 3.35Å
184P98.8Very high97.3Very high0 Ų060.4 Ų60.40%033%0.333CS..  trans-66149.4-179.730.4-42.3000113.1Q112 V113 V115 L157 R158 V159 L182 L240Q112-P184 VanDerWaalsContact CA-O 3.28Å; Q112-P184 WeakPolarHBondContact CA-O 3.36Å; Q112-P184 WeakPolarHBondContact CB-O 3.36Å; V113-P184 HydrophobicContact CB-CG 4.1Å; V113-P184 PolarHBondContact N-O 3.47Å; V113-P184 VanDerWaalsContact N-O 3.08Å; V113-P184 WeakPolarHBondContact O-CD 3.26Å; V113-P184 VanDerWaalsContact O-CG 3.31Å; V113-P184 WeakPolarHBondContact O-CG 3.26Å; V115-P184 HydrophobicContact CG1-CG 3.9Å; L157-P184 HydrophobicContact CB-CB 4.04Å; L157-P184 HydrophobicContact CD2-CB 4.1Å; L157-P184 HydrophobicContact CD2-CG 4.29Å; L157-P184 HydrophobicContact CG-CB 4.5Å; R158-P184 CarbonylContact O-C 3.34Å; R158-P184 VanDerWaalsContact O-CA 3.24Å; R158-P184 WeakPolarHBondContact O-CA 3.3Å; V159-P184 HydrophobicContact CG2-CB 3.9Å; L182-P184 WeakPolarHBondContact O-CD 3.45Å; P184-L240 HydrophobicContact CB-CD2 4.4Å; P184-L240 HydrophobicContact CG-CD2 4.04Å
185I98.8Very high97.1Very high59 Ų5964.8 Ų64.830%0.30335%0.354SS..EExtended strand (participates in β ladder)trans-86134.5168.4-61.2-179.8000109V110 L157 R158 P160V110-I185 HydrophobicContact CG1-CB 4.05Å; V110-I185 HydrophobicContact CG1-CD1 3.97Å; V110-I185 HydrophobicContact CG1-CG1 3.73Å; V110-I185 HydrophobicContact CG1-CG2 3.42Å; V110-I185 VanDerWaalsContact CG1-CG2 3.42Å; L157-I185 WeakPolarHBondContact CA-O 3.48Å; R158-I185 PolarHBondContact N-O 2.65Å; R158-I185 PolarHBondContact O-N 2.65Å; P160-I185 HydrophobicContact CG-CD1 3.88Å
186L98.4Very high96.8Very high25 Ų2563.8 Ų63.813%0.13134%0.335CS..EExtended strand (participates in β ladder)trans-105.4-35.7175.717466.3000112.5L111 V113 L156 L157 H215 A217 L218L111-L186 PolarHBondContact O-N 2.93Å; V113-L186 HydrophobicContact CG2-CB 4.03Å; V113-L186 HydrophobicContact CG2-CD2 4.02Å; V113-L186 HydrophobicContact CG2-CG 4.5Å; L156-L186 HydrophobicContact CD1-CD1 3.67Å; L156-L186 HydrophobicContact CD2-CD1 4.06Å; L156-L186 HydrophobicContact CG-CD1 3.62Å; L157-L186 HydrophobicContact CD2-CB 3.93Å; L157-L186 HydrophobicContact CD2-CD1 3.94Å; L186-H215 HydrophobicContact CD2-CB 4.18Å; L186-A217 HydrophobicContact CD2-CB 4.27Å; L186-L218 HydrophobicContact CD2-CB 3.89Å
187G97.4Very high96.3Very high25 Ų2566.1 Ų66.126%0.25836%0.362SS..EExtended strand (participates in β ladder)trans179-170-175.300000111.9L111L111-G187 PolarHBondContact N-O 2.8Å; L111-G187 PolarHBondContact O-N 3.32Å
188T97.3Very high95.4Very high61 Ų6166 Ų6637%0.37437%0.367SS..EExtended strand (participates in β ladder)trans-120.1149.9177.665.70000110.5V190 Q191 E192T188-V190 PolarHBondContact O-N 3.48Å; T188-Q191 PolarHBondContact O-N 3.05Å; T188-Q191 WeakPolarHBondContact OG1-CB 3.31Å; T188-Q191 PolarHBondContact OG1-N 3.37Å; T188-Q191 VanDerWaalsContact OG1-N 3.13Å; T188-E192 PolarHBondContact O-N 2.89Å
189A95Very high94.1Very high24 Ų2463.1 Ų63.120%0.19836%0.363CS..Hα-helixtrans-60.7-34.4175.100000111.6G109 L111 E192 E193G109-A189 PolarHBondContact O-N 2.72Å; L111-A189 HydrophobicContact CD2-CB 4.43Å; A189-E192 PolarHBondContact O-N 2.86Å; A189-E193 WeakPolarHBondContact O-CB 3.3Å; A189-E193 PolarHBondContact O-N 2.9Å
190V96.1Very high92.7Very high101 Ų10161 Ų6161%0.61236%0.355SS*.Hα-helixtrans-61.8-49.3175.8176.70000111.1T188 E192 E193 L194T188-V190 PolarHBondContact O-N 3.48Å; V190-E192 VanDerWaalsContact C-N 3.33Å; V190-E193 PolarHBondContact O-N 3.3Å; V190-L194 HydrophobicContact CG1-CD1 4.43Å; V190-L194 WeakPolarHBondContact O-CG 3.33Å; V190-L194 PolarHBondContact O-N 2.57Å; V190-L194 VanDerWaalsContact O-N 3.08Å
191Q96.7Very high90.7Very high93 Ų9361.2 Ų61.244%0.43537%0.365SS..Hα-helixtrans-67.4-37.9178.8-168.164.135.900110.9T188 E193 L194 E195T188-Q191 PolarHBondContact O-N 3.05Å; T188-Q191 WeakPolarHBondContact OG1-CB 3.31Å; T188-Q191 PolarHBondContact OG1-N 3.37Å; T188-Q191 VanDerWaalsContact OG1-N 3.13Å; Q191-E193 VanDerWaalsContact C-N 3.33Å; Q191-E193 PolarHBondContact O-N 3.25Å; Q191-L194 PolarHBondContact O-N 3.24Å; Q191-E195 HydrophobicContact CG-CG 4.25Å; Q191-E195 PolarHBondContact NE2-OE1 2.97Å; Q191-E195 WeakPolarHBondContact O-CB 3.47Å; Q191-E195 VanDerWaalsContact O-CG 3.25Å; Q191-E195 WeakPolarHBondContact O-CG 3.14Å; Q191-E195 PolarHBondContact O-N 3.22Å
192E94.4Very high88.6Confident18 Ų1858.3 Ų58.38%0.08437%0.365CS..Hα-helixtrans-58.8-43.6174.9-177.7-179.9-122.200112.1L111 T188 A189 V190 E195 T196 S200L111-E192 HydrophobicContact CD1-CB 4.05Å; L111-E192 HydrophobicContact CD1-CG 4.48Å; T188-E192 PolarHBondContact O-N 2.89Å; A189-E192 PolarHBondContact O-N 2.86Å; V190-E192 VanDerWaalsContact C-N 3.33Å; E192-E195 PolarHBondContact O-N 3.45Å; E192-T196 HydrophobicContact CG-CG2 4.45Å; E192-T196 WeakPolarHBondContact O-CB 3.43Å; E192-T196 WeakPolarHBondContact O-CG2 3.45Å; E192-T196 PolarHBondContact O-N 3.01Å; E192-T196 PolarHBondContact O-OG1 3.43Å; E192-S200 VanDerWaalsContact CD-OG 3.31Å; E192-S200 PolarHBondContact OE1-OG 2.99Å; E192-S200 VanDerWaalsContact OE2-CB 3.24Å; E192-S200 WeakPolarHBondContact OE2-CB 3.16Å; E192-S200 PolarHBondContact OE2-N 3.19Å; E192-S200 PolarHBondContact OE2-OG 2.9Å
193E93.5Very high86.5Confident105 Ų10565.2 Ų65.249%0.49140%0.402SS..Hα-helixtrans-64.2-40.9176.5-172.6177.6-176.400112.1A189 V190 Q191 E195 T196 G197A189-E193 WeakPolarHBondContact O-CB 3.3Å; A189-E193 PolarHBondContact O-N 2.9Å; V190-E193 PolarHBondContact O-N 3.3Å; Q191-E193 VanDerWaalsContact C-N 3.33Å; Q191-E193 PolarHBondContact O-N 3.25Å; E193-E195 PolarHBondContact O-N 3.27Å; E193-T196 PolarHBondContact O-N 3.18Å; E193-G197 WeakPolarHBondContact O-CA 3.3Å; E193-G197 PolarHBondContact O-N 3.11Å
194L95.3Very high84.5Confident129 Ų12966 Ų6668%0.67541%0.406SS*.Hα-helixtrans-63.7-38.9175.7-69.4174.4000112.7V190 Q191V190-L194 HydrophobicContact CG1-CD1 4.43Å; V190-L194 WeakPolarHBondContact O-CG 3.33Å; V190-L194 PolarHBondContact O-N 2.57Å; V190-L194 VanDerWaalsContact O-N 3.08Å; Q191-L194 PolarHBondContact O-N 3.24Å
195E93.5Very high82.4Confident135 Ų13571.3 Ų71.363%0.63144%0.444SS*.Hα-helixtrans-79.8-23.9-178.7-66.2-65.315900113.2Q191 E192 E193Q191-E195 HydrophobicContact CG-CG 4.25Å; Q191-E195 PolarHBondContact NE2-OE1 2.97Å; Q191-E195 WeakPolarHBondContact O-CB 3.47Å; Q191-E195 VanDerWaalsContact O-CG 3.25Å; Q191-E195 WeakPolarHBondContact O-CG 3.14Å; Q191-E195 PolarHBondContact O-N 3.22Å; E192-E195 PolarHBondContact O-N 3.45Å; E193-E195 PolarHBondContact O-N 3.27Å
196T90.6Very high80.3Confident49 Ų4973.6 Ų73.630%0.30147%0.465SS..Hα-helixtrans-123.8-12.3-170.670.50000115E192 E193 S198 R220E192-T196 HydrophobicContact CG-CG2 4.45Å; E192-T196 WeakPolarHBondContact O-CB 3.43Å; E192-T196 WeakPolarHBondContact O-CG2 3.45Å; E192-T196 PolarHBondContact O-N 3.01Å; E192-T196 PolarHBondContact O-OG1 3.43Å; E193-T196 PolarHBondContact O-N 3.18Å; T196-S198 PolarHBondContact O-N 3.22Å; T196-S198 PolarHBondContact OG1-N 3.06Å; T196-S198 PolarHBondContact OG1-O 3.46Å; T196-R220 VanDerWaalsContact CG2-NH1 3.31Å; T196-R220 VanDerWaalsContact CG2-NH2 3.31Å
197G88.3Confident78.7Confident68 Ų6873.7 Ų73.770%0.70147%0.469SS*.SBendtrans72.66.9-171.700000114.2E193E193-G197 WeakPolarHBondContact O-CA 3.3Å; E193-G197 PolarHBondContact O-N 3.11Å
198S78.6Confident77.2Confident72 Ų7277 Ų7750%0.50350%0.495SS..SBendtrans-148.3141-18068.30000112.4T196T196-S198 PolarHBondContact O-N 3.22Å; T196-S198 PolarHBondContact OG1-N 3.06Å; T196-S198 PolarHBondContact OG1-O 3.46Å
199S71.8Confident76.2Confident61 Ų6177.5 Ų77.543%0.42750%0.495SS..  trans-88131.9170.765.60000110.7S201S199-S201 VanDerWaalsContact C-N 3.34Å; S199-S201 PolarHBondContact O-N 3.44Å
200S67.9Low75.3Confident29 Ų2977 Ų7720%0.20349%0.489CS..  trans-74.582.4175.365.90000112E192E192-S200 VanDerWaalsContact CD-OG 3.31Å; E192-S200 PolarHBondContact OE1-OG 2.99Å; E192-S200 VanDerWaalsContact OE2-CB 3.24Å; E192-S200 WeakPolarHBondContact OE2-CB 3.16Å; E192-S200 PolarHBondContact OE2-N 3.19Å; E192-S200 PolarHBondContact OE2-OG 2.9Å
201S56.4Low74.5Confident110 Ų11073 Ų7377%0.76947%0.467SS*.  trans-85.3120.4173.162.70000110.7S199S199-S201 VanDerWaalsContact C-N 3.34Å; S199-S201 PolarHBondContact O-N 3.44Å
202G54.7Low73.8Confident48 Ų4872 Ų7250%0.49547%0.465SS..  trans154.1136.616800000114.7K104K104-G202 PolarHBondContact NZ-O 2.8Å
203D54Low73.6Confident146 Ų14673.5 Ų73.578%0.78147%0.471SS*.  trans-73.1147.7171.5-121.3-23.3000110.7S205D203-S205 PolarHBondContact O-N 3.45Å; D203-S205 VanDerWaalsContact O-N 3.1Å
204T57.5Low73.7Confident27 Ų2768.6 Ų68.617%0.16645%0.448CS..G310 helixtrans-72.5-3.8-171.360.20000114.6R102 K104 S206 A207R102-T204 PolarHBondContact NH2-O 2.91Å; R102-T204 PolarHBondContact NH2-OG1 3.23Å; K104-T204 HydrophobicContact CB-CG2 3.53Å; K104-T204 HydrophobicContact CD-CG2 3.81Å; K104-T204 HydrophobicContact CG-CG2 4.1Å; T204-S206 PolarHBondContact O-N 3.44Å; T204-A207 WeakPolarHBondContact O-CB 3.42Å; T204-A207 PolarHBondContact O-N 3.1Å
205S53.5Low73.6Confident112 Ų11262.6 Ų62.678%0.78342%0.417SS*.G310 helixtrans-56.6-12.1-164.254.70000116D203D203-S205 PolarHBondContact O-N 3.45Å; D203-S205 VanDerWaalsContact O-N 3.1Å
206S55.8Low73.6Confident107 Ų10759 Ų5975%0.74841%0.405SS*.G310 helixtrans-120.520.5176.3650000115.4T204 A208T204-S206 PolarHBondContact O-N 3.44Å; S206-A208 PolarHBondContact O-N 3.24Å
207A64.3Low73.8Confident27 Ų2758.1 Ų58.122%0.22340%0.403CS..  trans-56.1120.2-178.500000112.5T204 D212 K213T204-A207 WeakPolarHBondContact O-CB 3.42Å; T204-A207 PolarHBondContact O-N 3.1Å; A207-D212 HydrophobicContact CB-CB 3.58Å; A207-K213 HydrophobicContact CB-CG 4.12Å
208A66.8Low74.2Confident95 Ų9554.9 Ų54.979%0.78537%0.37SS*.  trans-92.8-26.5-175.400000112.7S206 D212S206-A208 PolarHBondContact O-N 3.24Å; A208-D212 PolarHBondContact N-OD2 2.98Å; A208-D212 VanDerWaalsContact N-OD2 3.1Å
209N74.7Confident75Confident71 Ų7151.7 Ų51.738%0.3835%0.347SS..SBendtrans-131.8177.4176.365.243.8000111.4A211 D212N209-A211 WeakPolarHBondContact OD1-CA 3.34Å; N209-A211 WeakPolarHBondContact OD1-CB 3.37Å; N209-A211 PolarHBondContact OD1-N 3.47Å; N209-D212 PolarHBondContact N-OD2 3.2Å; N209-D212 PolarHBondContact O-N 3.1Å; N209-D212 PolarHBondContact OD1-N 3Å; N209-D212 PolarHBondContact OD1-OD1 2.78Å; N209-D212 PolarHBondContact OD1-OD2 2.95Å
210T77.8Confident76.1Confident13 Ų1355.2 Ų55.28%0.0835%0.351CS..SBendtrans-67.3-35.8-179.9-71.60000112.8D212 K213 H214 L234T210-D212 PolarHBondContact O-N 2.8Å; T210-K213 WeakPolarHBondContact O-CB 3.33Å; T210-K213 PolarHBondContact O-N 3.15Å; T210-K213 PolarHBondContact OG1-NZ 3.04Å; T210-K213 VanDerWaalsContact OG1-NZ 3.08Å; T210-H214 PolarHBondContact O-CD2 3.41Å; T210-L234 WeakPolarHBondContact CB-O 3.33Å; T210-L234 WeakPolarHBondContact CG2-O 3.21Å; T210-L234 PolarHBondContact OG1-O 3.25Å
211A78.3Confident77.5Confident19 Ų1955.1 Ų55.116%0.15735%0.349CS..G310 helixtrans-58.1-38.3177.700000112N209 K213 H214 V219N209-A211 WeakPolarHBondContact OD1-CA 3.34Å; N209-A211 WeakPolarHBondContact OD1-CB 3.37Å; N209-A211 PolarHBondContact OD1-N 3.47Å; A211-K213 PolarHBondContact O-N 2.89Å; A211-H214 PolarHBondContact O-N 3.48Å; A211-V219 HydrophobicContact CB-CG1 4.04Å; A211-V219 HydrophobicContact CB-CG2 4.25Å
212D82.6Confident79.4Confident72 Ų7249.9 Ų49.939%0.38531%0.313SS..G310 helixtrans-67.6-17.3179.3-58.9-28.8000114A207 A208 N209 T210 H214A207-D212 HydrophobicContact CB-CB 3.58Å; A208-D212 PolarHBondContact N-OD2 2.98Å; A208-D212 VanDerWaalsContact N-OD2 3.1Å; N209-D212 PolarHBondContact N-OD2 3.2Å; N209-D212 PolarHBondContact O-N 3.1Å; N209-D212 PolarHBondContact OD1-N 3Å; N209-D212 PolarHBondContact OD1-OD1 2.78Å; N209-D212 PolarHBondContact OD1-OD2 2.95Å; T210-D212 PolarHBondContact O-N 2.8Å; D212-H214 PolarHBondContact O-N 3.03Å
213K90.7Very high81.4Confident48 Ų4848 Ų4821%0.20929%0.291CS..G310 helixtrans-77.1-11.7178.1-59174.1-169158.40112.6P101 R102 S103 K104 A207 T210 A211P101-K213 WeakPolarHBondContact O-CD 3.32Å; R102-K213 HydrophobicContact CB-CB 4.5Å; R102-K213 HydrophobicContact CG-CB 4.1Å; R102-K213 HydrophobicContact CG-CD 4.13Å; R102-K213 HydrophobicContact CG-CG 4.1Å; S103-K213 PolarHBondContact N-O 2.94Å; S103-K213 VanDerWaalsContact N-O 3.16Å; K104-K213 PolarHBondContact N-O 2.84Å; A207-K213 HydrophobicContact CB-CG 4.12Å; T210-K213 WeakPolarHBondContact O-CB 3.33Å; T210-K213 PolarHBondContact O-N 3.15Å; T210-K213 PolarHBondContact OG1-NZ 3.04Å; T210-K213 VanDerWaalsContact OG1-NZ 3.08Å; A211-K213 PolarHBondContact O-N 2.89Å
214H94.6Very high83.4Confident3 Ų345.6 Ų45.61%0.01429%0.286CS..SBendtrans-128.9165.1-172.2-52.5-66.9000110.7P101 S103 T210 A211 D212 L218 V219 F236P101-H214 PolarHBondContact O-CE1 3.27Å; P101-H214 PolarHBondContact O-NE2 2.94Å; S103-H214 PolarHBondContact OG-ND1 2.87Å; T210-H214 PolarHBondContact O-CD2 3.41Å; A211-H214 PolarHBondContact O-N 3.48Å; D212-H214 PolarHBondContact O-N 3.03Å; H214-L218 HydrophobicContact CB-CD2 4.47Å; H214-V219 HydrophobicContact CB-CG2 3.95Å; H214-F236 AromaticContact CD2-CE1 3.56Å; H214-F236 AromaticContact CD2-CZ 3.33Å; H214-F236 WeakPolarHBondContact CD2-CZ 3.29Å; H214-F236 AromaticContact CE1-CE2 3.78Å; H214-F236 AromaticContact CE1-CZ 3.35Å; H214-F236 WeakPolarHBondContact CE1-CZ 3.17Å; H214-F236 AromaticContact CG-CZ 3.63Å; H214-F236 AromaticContact ND1-CZ 3.64Å; H214-F236 AromaticContact NE2-CE1 3.59Å; H214-F236 AromaticContact NE2-CE2 3.89Å; H214-F236 AromaticContact NE2-CZ 3.17Å; H214-F236 WeakPolarHBondContact NE2-CZ 3.35Å
215H94.4Very high85.3Confident2 Ų249 Ų491%0.00930%0.3CS..  trans-65.7135.9171.4-83.3-59.7000110.3K104 R105 T106 Q112 L186 A217 L218 V219K104-H215 VanDerWaalsContact CG-CE1 3.49Å; K104-H215 WeakPolarHBondContact CG-CE1 3.36Å; R105-H215 PolarHBondContact O-NE2 2.81Å; T106-H215 PolarHBondContact OG1-CE1 3.46Å; T106-H215 VanDerWaalsContact OG1-CE1 3.23Å; Q112-H215 PolarHBondContact O-CD2 2.95Å; Q112-H215 PolarHBondContact O-NE2 2.92Å; L186-H215 HydrophobicContact CD2-CB 4.18Å; H215-A217 PolarHBondContact O-N 2.87Å; H215-A217 VanDerWaalsContact O-N 3.13Å; H215-L218 WeakPolarHBondContact O-CB 3.46Å; H215-L218 PolarHBondContact O-N 2.69Å; H215-V219 PolarHBondContact O-N 3.43Å
216P92.8Very high87.3Confident60 Ų6045.3 Ų45.339%0.3927%0.272SS..Hα-helixtrans-54.5-33.4177.3-27.335.4000113.1L218 V219 R220P216-L218 PolarHBondContact O-N 2.96Å; P216-V219 PolarHBondContact O-N 3Å; P216-R220 VanDerWaalsContact O-CB 3.32Å; P216-R220 WeakPolarHBondContact O-CB 3.12Å; P216-R220 PolarHBondContact O-N 3.39Å
217A94.3Very high89.2Confident31 Ų3143.6 Ų43.626%0.25627%0.271SS..Hα-helixtrans-58.7-43.7174.300000113L186 H215 V221L186-A217 HydrophobicContact CD2-CB 4.27Å; H215-A217 PolarHBondContact O-N 2.87Å; H215-A217 VanDerWaalsContact O-N 3.13Å; A217-V221 WeakPolarHBondContact O-CG2 2.86Å; A217-V221 PolarHBondContact O-N 3.23Å
218L96.6Very high90.6Very high0 Ų044 Ų440%027%0.27CS..Hα-helixtrans-65.7-49.9176.5177.660.4000110.2V113 L156 L186 H214 H215 P216 R220 V221 L222V113-L218 HydrophobicContact CG1-CD2 4.41Å; V113-L218 HydrophobicContact CG2-CD2 4.27Å; L156-L218 HydrophobicContact CD2-CD1 4.34Å; L186-L218 HydrophobicContact CD2-CB 3.89Å; H214-L218 HydrophobicContact CB-CD2 4.47Å; H215-L218 WeakPolarHBondContact O-CB 3.46Å; H215-L218 PolarHBondContact O-N 2.69Å; P216-L218 PolarHBondContact O-N 2.96Å; L218-R220 VanDerWaalsContact C-N 3.3Å; L218-R220 PolarHBondContact O-N 3.15Å; L218-V221 PolarHBondContact O-N 3.21Å; L218-V221 VanDerWaalsContact O-N 3.14Å; L218-L222 HydrophobicContact CD1-CD1 4.39Å; L218-L222 HydrophobicContact CD1-CD2 4.4Å; L218-L222 HydrophobicContact CD1-CG 4.27Å; L218-L222 HydrophobicContact CG-CD1 4.2Å; L218-L222 HydrophobicContact CG-CG 4.47Å; L218-L222 WeakPolarHBondContact O-CG 3.3Å; L218-L222 PolarHBondContact O-N 3.27Å
219V96Very high91.8Very high5 Ų546 Ų463%0.0326%0.264CS..Hα-helixtrans-56.7-45.1-179.8178.20000110.9A211 H214 H215 P216 V221 L222 C223 P230 L233A211-V219 HydrophobicContact CB-CG1 4.04Å; A211-V219 HydrophobicContact CB-CG2 4.25Å; H214-V219 HydrophobicContact CB-CG2 3.95Å; H215-V219 PolarHBondContact O-N 3.43Å; P216-V219 PolarHBondContact O-N 3Å; V219-V221 PolarHBondContact O-N 3.3Å; V219-L222 PolarHBondContact O-N 3.27Å; V219-C223 WeakPolarHBondContact O-CB 3.37Å; V219-C223 PolarHBondContact O-N 2.93Å; V219-C223 PolarHBondContact O-SG 2.98Å; V219-C223 VanDerWaalsContact O-SG 3.35Å; V219-P230 HydrophobicContact CG1-CB 4.17Å; V219-L233 HydrophobicContact CG1-CD2 3.97Å
220R94.3Very high92.5Very high134 Ų13445.2 Ų45.251%0.50626%0.262SS..Hα-helixtrans-60.5-43178.1-172.4-175.6-61.6161.81.4112.3T196 P216 L218 S224T196-R220 VanDerWaalsContact CG2-NH1 3.31Å; T196-R220 VanDerWaalsContact CG2-NH2 3.31Å; P216-R220 VanDerWaalsContact O-CB 3.32Å; P216-R220 WeakPolarHBondContact O-CB 3.12Å; P216-R220 PolarHBondContact O-N 3.39Å; L218-R220 VanDerWaalsContact C-N 3.3Å; L218-R220 PolarHBondContact O-N 3.15Å; R220-S224 WeakPolarHBondContact O-CB 3.09Å; R220-S224 PolarHBondContact O-N 3.06Å
221V96.9Very high93.1Very high28 Ų2851.5 Ų51.517%0.1730%0.295CS..Hα-helixtrans-60.6-48176.1169.60000110.4V152 L156 A217 L218 V219 S224 E225V152-V221 HydrophobicContact CG1-CG1 4.07Å; V152-V221 HydrophobicContact CG2-CG1 3.76Å; L156-V221 HydrophobicContact CD2-CG1 4.35Å; A217-V221 WeakPolarHBondContact O-CG2 2.86Å; A217-V221 PolarHBondContact O-N 3.23Å; L218-V221 PolarHBondContact O-N 3.21Å; L218-V221 VanDerWaalsContact O-N 3.14Å; V219-V221 PolarHBondContact O-N 3.3Å; V221-S224 PolarHBondContact O-N 3.49Å; V221-E225 WeakPolarHBondContact O-CB 3.23Å; V221-E225 PolarHBondContact O-N 3.09Å
222L97.3Very high93.8Very high0 Ų052.2 Ų52.20%030%0.299CS..Hα-helixtrans-62.6-46.9179.9-57.7174.7000111.8V133 I150 L218 V219 E225 L226 F236 L238V133-L222 HydrophobicContact CG2-CD2 4.11Å; I150-L222 HydrophobicContact CD1-CB 4Å; I150-L222 HydrophobicContact CD1-CD2 3.53Å; I150-L222 HydrophobicContact CD1-CG 4.36Å; L218-L222 HydrophobicContact CD1-CD1 4.39Å; L218-L222 HydrophobicContact CD1-CD2 4.4Å; L218-L222 HydrophobicContact CD1-CG 4.27Å; L218-L222 HydrophobicContact CG-CD1 4.2Å; L218-L222 HydrophobicContact CG-CG 4.47Å; L218-L222 WeakPolarHBondContact O-CG 3.3Å; L218-L222 PolarHBondContact O-N 3.27Å; V219-L222 PolarHBondContact O-N 3.27Å; L222-E225 PolarHBondContact O-N 2.97Å; L222-L226 WeakPolarHBondContact O-CB 3.43Å; L222-L226 VanDerWaalsContact O-CG 3.32Å; L222-L226 WeakPolarHBondContact O-CG 3.33Å; L222-L226 PolarHBondContact O-N 3.11Å; L222-F236 HydrophobicContact CD1-CD1 3.89Å; L222-F236 HydrophobicContact CD1-CE1 3.72Å; L222-F236 HydrophobicContact CD1-CG 4.43Å; L222-F236 HydrophobicContact CD1-CZ 4.13Å; L222-L238 HydrophobicContact CD1-CD1 3.84Å; L222-L238 HydrophobicContact CD2-CD1 3.76Å; L222-L238 HydrophobicContact CG-CD1 4.48Å
223C95.6Very high94.3Very high7 Ų749.2 Ų49.25%0.04728%0.283CS..Hα-helixtrans-63.3-41.1178.9-75.20000112.6V219 L226 G227 V228V219-C223 WeakPolarHBondContact O-CB 3.37Å; V219-C223 PolarHBondContact O-N 2.93Å; V219-C223 PolarHBondContact O-SG 2.98Å; V219-C223 VanDerWaalsContact O-SG 3.35Å; C223-L226 PolarHBondContact O-N 3.41Å; C223-G227 WeakPolarHBondContact O-CA 3.47Å; C223-G227 PolarHBondContact O-N 3.11Å; C223-V228 HydrophobicContact CB-CG2 4.48Å; C223-V228 VanDerWaalsContact CB-O 3.27Å; C223-V228 WeakPolarHBondContact CB-O 3.48Å; C223-V228 PolarHBondContact O-N 2.9Å
224S96Very high94.5Very high96 Ų9649.9 Ų49.967%0.67129%0.288SS*.Hα-helixtrans-64.5-43.8176.6-174.10000111.7R220 V221 L226 G227R220-S224 WeakPolarHBondContact O-CB 3.09Å; R220-S224 PolarHBondContact O-N 3.06Å; V221-S224 PolarHBondContact O-N 3.49Å; S224-L226 VanDerWaalsContact C-N 3.29Å; S224-L226 PolarHBondContact O-N 3.46Å; S224-G227 PolarHBondContact O-N 3.43Å
225E97.4Very high94.5Very high98 Ų9853 Ų5346%0.45831%0.306SS..Hα-helixtrans-65-35.6178.6-167.264-146.600111.6I150 V221 L222I150-E225 HydrophobicContact CD1-CB 3.75Å; I150-E225 HydrophobicContact CD1-CG 3.96Å; I150-E225 HydrophobicContact CG1-CB 4.22Å; I150-E225 HydrophobicContact CG1-CG 3.84Å; V221-E225 WeakPolarHBondContact O-CB 3.23Å; V221-E225 PolarHBondContact O-N 3.09Å; L222-E225 PolarHBondContact O-N 2.97Å
226L95.9Very high94.6Very high36 Ų3653.6 Ų53.619%0.18831%0.308CS..Hα-helixtrans-84.7-14.6179.1-71.5169.7000114.3V137 R148 I150 L222 C223 S224 V228V137-L226 HydrophobicContact CB-CD1 3.84Å; V137-L226 HydrophobicContact CG1-CD1 3.77Å; V137-L226 HydrophobicContact CG2-CD1 3.86Å; R148-L226 HydrophobicContact CB-CD2 3.59Å; R148-L226 HydrophobicContact CG-CD2 4.3Å; I150-L226 HydrophobicContact CB-CD2 4.29Å; I150-L226 HydrophobicContact CD1-CD1 4.38Å; I150-L226 HydrophobicContact CD1-CG 4.11Å; L222-L226 WeakPolarHBondContact O-CB 3.43Å; L222-L226 VanDerWaalsContact O-CG 3.32Å; L222-L226 WeakPolarHBondContact O-CG 3.33Å; L222-L226 PolarHBondContact O-N 3.11Å; C223-L226 PolarHBondContact O-N 3.41Å; S224-L226 VanDerWaalsContact C-N 3.29Å; S224-L226 PolarHBondContact O-N 3.46Å; L226-V228 VanDerWaalsContact C-N 3.32Å; L226-V228 HydrophobicContact CB-CB 4.5Å; L226-V228 HydrophobicContact CB-CG1 4.15Å; L226-V228 HydrophobicContact CB-CG2 3.81Å; L226-V228 HydrophobicContact CD1-CG2 4.28Å
227G95.8Very high94.9Very high71 Ų7153.8 Ų53.873%0.73230%0.304SS*.THydrogen-bonded Turntrans63.633.7-170.600000113.7C223 S224C223-G227 WeakPolarHBondContact O-CA 3.47Å; C223-G227 PolarHBondContact O-N 3.11Å; S224-G227 PolarHBondContact O-N 3.43Å
228V94.6Very high95.1Very high34 Ų3452.4 Ų52.421%0.20629%0.292CS..  trans-119.9158.5-178.9-57.30000112V139 C223 L226V139-V228 HydrophobicContact CG1-CG2 4.32Å; C223-V228 HydrophobicContact CB-CG2 4.48Å; C223-V228 VanDerWaalsContact CB-O 3.27Å; C223-V228 WeakPolarHBondContact CB-O 3.48Å; C223-V228 PolarHBondContact O-N 2.9Å; L226-V228 VanDerWaalsContact C-N 3.32Å; L226-V228 HydrophobicContact CB-CB 4.5Å; L226-V228 HydrophobicContact CB-CG1 4.15Å; L226-V228 HydrophobicContact CB-CG2 3.81Å; L226-V228 HydrophobicContact CD1-CG2 4.28Å
229Q91.2Very high95.2Very high139 Ų13952.6 Ų52.665%0.6529%0.293SS*.  trans-79.9149.7173.9-62.5-58.9-36.800111.3D231 S232Q229-D231 VanDerWaalsContact C-N 3.26Å; Q229-D231 PolarHBondContact O-N 3.5Å; Q229-S232 VanDerWaalsContact O-CB 3.3Å; Q229-S232 WeakPolarHBondContact O-CB 3.45Å; Q229-S232 PolarHBondContact O-N 2.83Å
230P90.2Very high95.4Very high53 Ų5352.5 Ų52.534%0.34429%0.292SS..G310 helixtrans-53.1-38.3177.1-2936.5000114.4V219 S232 L233V219-P230 HydrophobicContact CG1-CB 4.17Å; P230-S232 PolarHBondContact O-N 3.18Å; P230-L233 WeakPolarHBondContact O-CB 3.25Å; P230-L233 PolarHBondContact O-N 2.96Å
231D89.9Confident95.6Very high146 Ų14646.3 Ų46.378%0.78127%0.27SS*.G310 helixtrans-67.1-17178.8-65.3-12.5000113.6Q229Q229-D231 VanDerWaalsContact C-N 3.26Å; Q229-D231 PolarHBondContact O-N 3.5Å
232S92.3Very high95.7Very high34 Ų3445.6 Ų45.624%0.23827%0.265CS..G310 helixtrans-83.9-14.3174.6-54.20000112.4V139 K140 Q229 P230 L234V139-S232 CarbonylContact C-O 3.45Å; V139-S232 WeakPolarHBondContact CA-O 3.43Å; K140-S232 PolarHBondContact N-O 3.15Å; Q229-S232 VanDerWaalsContact O-CB 3.3Å; Q229-S232 WeakPolarHBondContact O-CB 3.45Å; Q229-S232 PolarHBondContact O-N 2.83Å; P230-S232 PolarHBondContact O-N 3.18Å; S232-L234 PolarHBondContact O-N 2.95Å
233L93.4Very high95.7Very high8 Ų847.6 Ų47.64%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-78.1112.8-179.9-176.465.4000110.7V137 V219 P230 F236V137-L233 HydrophobicContact CG1-CD1 3.07Å; V219-L233 HydrophobicContact CG1-CD2 3.97Å; P230-L233 WeakPolarHBondContact O-CB 3.25Å; P230-L233 PolarHBondContact O-N 2.96Å; L233-F236 HydrophobicContact CD1-CD1 4.2Å; L233-F236 HydrophobicContact CD2-CD1 4.15Å; L233-F236 HydrophobicContact CD2-CE1 4.14Å; L233-F236 HydrophobicContact CG-CD1 4.46Å
234L94.1Very high95.9Very high62 Ų6251.5 Ų51.533%0.32530%0.295SS..EExtended strand (participates in β ladder)trans-94.6-49.6-177.6-59174.1000112.2M138 K140 L145 T210 S232M138-L234 HydrophobicContact CB-CB 4.3Å; M138-L234 WeakPolarHBondContact O-CB 3.4Å; M138-L234 PolarHBondContact O-N 3.42Å; K140-L234 HydrophobicContact CB-CD1 4.15Å; K140-L234 HydrophobicContact CB-CD2 4.33Å; K140-L234 HydrophobicContact CB-CG 4.35Å; L145-L234 HydrophobicContact CD2-CD1 3.41Å; L145-L234 VanDerWaalsContact CD2-CD1 3.41Å; T210-L234 WeakPolarHBondContact CB-O 3.33Å; T210-L234 WeakPolarHBondContact CG2-O 3.21Å; T210-L234 PolarHBondContact OG1-O 3.25Å; S232-L234 PolarHBondContact O-N 2.95Å
235D95.4Very high96Very high70 Ų7051 Ų5137%0.37429%0.289SS..EExtended strand (participates in β ladder)trans-163.4168.4177.2-141-32.9000110.6M138M138-D235 PolarHBondContact N-O 3Å; M138-D235 PolarHBondContact O-N 3.39Å
236F97.4Very high96.1Very high14 Ų1446.6 Ų46.66%0.06127%0.27CS..EExtended strand (participates in β ladder)trans-150.5154.5174.553.6-108000113.1V99 R136 V137 H214 L222 L233 L238V99-F236 HydrophobicContact CB-CE2 4.38Å; V99-F236 HydrophobicContact CG1-CE2 3.86Å; R136-F236 WeakPolarHBondContact O-CA 3.34Å; R136-F236 WeakPolarHBondContact O-CB 3.44Å; V137-F236 HydrophobicContact CB-CB 4.39Å; V137-F236 HydrophobicContact CG1-CB 4.37Å; V137-F236 HydrophobicContact CG2-CB 3.91Å; H214-F236 AromaticContact CD2-CE1 3.56Å; H214-F236 AromaticContact CD2-CZ 3.33Å; H214-F236 WeakPolarHBondContact CD2-CZ 3.29Å; H214-F236 AromaticContact CE1-CE2 3.78Å; H214-F236 AromaticContact CE1-CZ 3.35Å; H214-F236 WeakPolarHBondContact CE1-CZ 3.17Å; H214-F236 AromaticContact CG-CZ 3.63Å; H214-F236 AromaticContact ND1-CZ 3.64Å; H214-F236 AromaticContact NE2-CE1 3.59Å; H214-F236 AromaticContact NE2-CE2 3.89Å; H214-F236 AromaticContact NE2-CZ 3.17Å; H214-F236 WeakPolarHBondContact NE2-CZ 3.35Å; L222-F236 HydrophobicContact CD1-CD1 3.89Å; L222-F236 HydrophobicContact CD1-CE1 3.72Å; L222-F236 HydrophobicContact CD1-CG 4.43Å; L222-F236 HydrophobicContact CD1-CZ 4.13Å; L233-F236 HydrophobicContact CD1-CD1 4.2Å; L233-F236 HydrophobicContact CD2-CD1 4.15Å; L233-F236 HydrophobicContact CD2-CE1 4.14Å; L233-F236 HydrophobicContact CG-CD1 4.46Å; F236-L238 HydrophobicContact CB-CD2 4.48Å; F236-L238 HydrophobicContact CB-CG 4.18Å; F236-L238 HydrophobicContact CD2-CB 4.48Å; F236-L238 HydrophobicContact CD2-CD1 3.56Å; F236-L238 HydrophobicContact CD2-CG 3.63Å; F236-L238 HydrophobicContact CE2-CD1 3.82Å; F236-L238 HydrophobicContact CE2-CG 4.3Å; F236-L238 HydrophobicContact CG-CD1 4.06Å; F236-L238 HydrophobicContact CG-CG 4.14Å; F236-L238 HydrophobicContact CZ-CD1 4.48Å
237E98.6Very high96.2Very high64 Ų6446.8 Ų46.830%0.29928%0.276SS..EExtended strand (participates in β ladder)trans-123.8106.2170.6-80.917490.600108.2Y29 R98 G135 R136Y29-E237 HydrophobicContact CE2-CB 4.19Å; Y29-E237 WeakPolarHBondContact OH-CB 3.38Å; Y29-E237 PolarHBondContact OH-OE1 3.06Å; Y29-E237 PolarHBondContact OH-OE2 3.11Å; R98-E237 IonicContact CZ-OE1 2.62Å; R98-E237 IonicContact NH2-OE1 2.85Å; R98-E237 PolarHBondContact NH2-OE1 3.31Å; G135-E237 VanDerWaalsContact CA-O 3.31Å; G135-E237 WeakPolarHBondContact CA-O 3.33Å; R136-E237 HydrophobicContact CG-CB 4.1Å; R136-E237 IonicContact CZ-OE2 3.23Å; R136-E237 PolarHBondContact N-O 3.36Å; R136-E237 IonicContact NE-OE2 2.91Å; R136-E237 PolarHBondContact NE-OE2 3.46Å; R136-E237 IonicContact NH2-OE1 3.08Å; R136-E237 IonicContact NH2-OE2 2.7Å; R136-E237 PolarHBondContact NH2-OE2 3.07Å; R136-E237 PolarHBondContact O-N 3.49Å
238L98.8Very high96.4Very high1 Ų144.6 Ų44.61%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-118.7126-174.2-58.8177.2000110.4R98 V99 V133 I150 L222 F236R98-L238 CarbonylContact C-O 3.54Å; R98-L238 VanDerWaalsContact CA-O 3.3Å; R98-L238 WeakPolarHBondContact CA-O 3.48Å; V99-L238 HydrophobicContact CB-CB 4.19Å; V99-L238 HydrophobicContact CG2-CB 3.81Å; V99-L238 HydrophobicContact CG2-CD1 4.45Å; V99-L238 PolarHBondContact N-O 3.15Å; V133-L238 HydrophobicContact CB-CB 4.34Å; V133-L238 HydrophobicContact CB-CD1 4.34Å; V133-L238 HydrophobicContact CG2-CD1 4.39Å; I150-L238 HydrophobicContact CG2-CD2 3.57Å; L222-L238 HydrophobicContact CD1-CD1 3.84Å; L222-L238 HydrophobicContact CD2-CD1 3.76Å; L222-L238 HydrophobicContact CG-CD1 4.48Å; F236-L238 HydrophobicContact CB-CD2 4.48Å; F236-L238 HydrophobicContact CB-CG 4.18Å; F236-L238 HydrophobicContact CD2-CB 4.48Å; F236-L238 HydrophobicContact CD2-CD1 3.56Å; F236-L238 HydrophobicContact CD2-CG 3.63Å; F236-L238 HydrophobicContact CE2-CD1 3.82Å; F236-L238 HydrophobicContact CE2-CG 4.3Å; F236-L238 HydrophobicContact CG-CD1 4.06Å; F236-L238 HydrophobicContact CG-CG 4.14Å; F236-L238 HydrophobicContact CZ-CD1 4.48Å
239C98.9Very high96.5Very high4 Ų443.5 Ų43.53%0.02724%0.243CC..EExtended strand (participates in β ladder)trans-87.9143.8166.3-54.90000108.6V133 A134V133-C239 WeakPolarHBondContact CA-O 3.24Å; A134-C239 PolarHBondContact N-O 3.43Å; A134-C239 PolarHBondContact O-N 3.36Å
240L98.9Very high96.9Very high3 Ų338.7 Ų38.72%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-79.1142.1162.6-82.966.4000108.9L97 V99 V115 W126 L131 T132 V133 L157 P184L97-L240 HydrophobicContact CB-CB 4.12Å; L97-L240 HydrophobicContact CB-CD1 4.45Å; L97-L240 HydrophobicContact CB-CD2 4.09Å; L97-L240 HydrophobicContact CB-CG 4.45Å; L97-L240 HydrophobicContact CD1-CD2 4.27Å; L97-L240 PolarHBondContact O-N 2.79Å; V99-L240 HydrophobicContact CG2-CD1 3.85Å; V115-L240 HydrophobicContact CG1-CD1 3.81Å; V115-L240 HydrophobicContact CG1-CD2 4.08Å; W126-L240 WeakPolarHBondContact CH2-O 3.32Å; W126-L240 HydrophobicContact CZ3-CB 3.84Å; W126-L240 WeakPolarHBondContact CZ3-O 3.45Å; L131-L240 HydrophobicContact CD1-CD2 4.05Å; T132-L240 CarbonylContact O-C 3.57Å; T132-L240 VanDerWaalsContact O-CA 3.24Å; T132-L240 WeakPolarHBondContact O-CA 3.25Å; V133-L240 HydrophobicContact CG1-CD1 4.42Å; L157-L240 HydrophobicContact CD1-CD1 4.2Å; L157-L240 HydrophobicContact CD1-CD2 3.99Å; L157-L240 HydrophobicContact CD1-CG 3.82Å; P184-L240 HydrophobicContact CB-CD2 4.4Å; P184-L240 HydrophobicContact CG-CD2 4.04Å
241V98.4Very high97.3Very high5 Ų542.2 Ų42.23%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-136.8136.8-173.1-167.30000109.6V26 L131 T132 A134 T243V26-V241 HydrophobicContact CB-CG1 3.98Å; V26-V241 HydrophobicContact CB-CG2 4.3Å; V26-V241 HydrophobicContact CG1-CG1 4.15Å; V26-V241 WeakPolarHBondContact O-CG2 3.39Å; L131-V241 CarbonylContact C-O 3.56Å; L131-V241 VanDerWaalsContact CA-O 3.3Å; L131-V241 WeakPolarHBondContact CA-O 3.45Å; T132-V241 HydrophobicContact CG2-CB 4.2Å; T132-V241 PolarHBondContact N-O 2.95Å; T132-V241 PolarHBondContact O-N 3.25Å; A134-V241 HydrophobicContact CB-CG2 3.81Å; V241-T243 PolarHBondContact O-N 2.93Å
242D98.8Very high97.7Very high12 Ų1243.4 Ų43.46%0.06425%0.246CC..EExtended strand (participates in β ladder)trans-64.1130.1167.3-168.1-3.3000109.9R129 Q244 I439R129-D242 IonicContact NH1-OD2 2.78Å; R129-D242 PolarHBondContact NH1-OD2 3.27Å; D242-Q244 VanDerWaalsContact C-N 3.29Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.46Å; D242-Q244 PolarHBondContact OD1-N 2.85Å; D242-I439 HydrophobicContact CB-CD1 3.82Å; D242-I439 HydrophobicContact CB-CG1 4.04Å
243T98.8Very high98Very high43 Ų4346.7 Ų46.726%0.26426%0.257SS..  trans-80.1-13.4177.156.50000112.8D130 T132 P155 V241 P245D130-T243 WeakPolarHBondContact CB-OG1 3.37Å; D130-T243 WeakPolarHBondContact O-CB 3.31Å; D130-T243 WeakPolarHBondContact O-CG2 3.49Å; D130-T243 PolarHBondContact O-N 2.95Å; D130-T243 PolarHBondContact O-OG1 3.5Å; T132-T243 HydrophobicContact CG2-CG2 3.67Å; P155-T243 HydrophobicContact CG-CG2 4.22Å; V241-T243 PolarHBondContact O-N 2.93Å; T243-P245 WeakPolarHBondContact O-CD 3.36Å
244Q98.8Very high98.2Very high89 Ų8948.9 Ų48.942%0.41627%0.268SS..SBendtrans-68.2114.3176.6-171.4-177.12500110.9R129 D242 R440R129-Q244 VanDerWaalsContact NH1-OE1 3.14Å; D242-Q244 VanDerWaalsContact C-N 3.29Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.46Å; D242-Q244 PolarHBondContact OD1-N 2.85Å; Q244-R440 PolarHBondContact O-NH1 3.2Å
245P98.6Very high98.4Very high84 Ų8447.8 Ų47.855%0.54526%0.26SS..  trans-59.4147.9-178.7-23.734.8000112.5T243 R440T243-P245 WeakPolarHBondContact O-CD 3.36Å; P245-R440 PolarHBondContact O-NH1 3.12Å; P245-R440 PolarHBondContact O-NH2 3.01Å
246A98.8Very high98.6Very high7 Ų744.5 Ų44.56%0.05824%0.242CC..  trans-60.9141167.100000110.1L19 V22 N23 F257 S258L19-A246 HydrophobicContact CD2-CB 3.69Å; V22-A246 HydrophobicContact CG1-CB 3.54Å; N23-A246 PolarHBondContact ND2-O 3.17Å; N23-A246 WeakPolarHBondContact OD1-CB 3.41Å; N23-A246 PolarHBondContact OD1-N 2.96Å; A246-F257 WeakPolarHBondContact CA-O 3.29Å; A246-S258 VanDerWaalsContact CB-OG 3.26Å; A246-S258 WeakPolarHBondContact CB-OG 3.47Å
247A98.8Very high98.7Very high39 Ų3947 Ų4732%0.32225%0.253SS..EExtended strand (participates in β ladder)trans-146.1158.8-17400000111.9F257A247-F257 PolarHBondContact N-O 2.87Å; A247-F257 PolarHBondContact O-N 2.78Å
248L98.9Very high98.7Very high26 Ų2644 Ų4414%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-78.8150.8163.3-55.9-171.8000109.8A15 K16 L19 E253 F255 I256 T445A15-L248 HydrophobicContact CB-CD2 4.02Å; K16-L248 HydrophobicContact CG-CD1 4.06Å; L19-L248 HydrophobicContact CD1-CD2 3.88Å; L19-L248 HydrophobicContact CD1-CG 3.87Å; L19-L248 HydrophobicContact CG-CD2 4.35Å; L248-E253 HydrophobicContact CB-CB 4.1Å; L248-E253 HydrophobicContact CD1-CB 4.44Å; L248-F255 CarbonylContact C-O 3.56Å; L248-F255 VanDerWaalsContact CA-O 3.25Å; L248-F255 WeakPolarHBondContact CA-O 3.46Å; L248-I256 HydrophobicContact CD2-CG1 3.77Å; L248-T445 HydrophobicContact CD1-CG2 4.45Å; L248-T445 HydrophobicContact CD2-CG2 3.72Å
249G98.6Very high98.7Very high11 Ų1144.1 Ų44.111%0.11324%0.241CC..EExtended strand (participates in β ladder)trans-156.8-177.2-179.400000113.8E253 E254 F255G249-E253 CarbonylContact O-C 3.53Å; G249-E253 VanDerWaalsContact O-CA 3.26Å; G249-E253 WeakPolarHBondContact O-CA 3.47Å; G249-E254 PolarHBondContact O-N 3.34Å; G249-E254 VanDerWaalsContact O-N 3.13Å; G249-F255 PolarHBondContact N-O 3.01Å; G249-F255 PolarHBondContact O-N 2.86Å; G249-F255 VanDerWaalsContact O-N 3.08Å
250G98.4Very high98.7Very high37 Ų3745.5 Ų45.538%0.38125%0.245SC..SBendtrans83.5164.6-166.700000112.2Y252 E253G250-Y252 PolarHBondContact O-N 3.42Å; G250-Y252 VanDerWaalsContact O-N 3.13Å; G250-E253 PolarHBondContact O-N 3.03Å; G250-E253 VanDerWaalsContact O-N 3.11Å
251V98.4Very high98.7Very high128 Ų12845.3 Ų45.378%0.77624%0.244SC*.THydrogen-bonded Turntrans-56.6-32.4-176.4176.20000112
252Y98.3Very high98.7Very high171 Ų17145.3 Ų45.367%0.67124%0.244SC*.THydrogen-bonded Turntrans-108.514.5-178.2-53.9-57.7000114.3G250 E254G250-Y252 PolarHBondContact O-N 3.42Å; G250-Y252 VanDerWaalsContact O-N 3.13Å; Y252-E254 VanDerWaalsContact CD2-OE1 3.25Å; Y252-E254 WeakPolarHBondContact CD2-OE1 3.48Å; Y252-E254 PolarHBondContact O-N 3.41Å
253E98.4Very high98.7Very high102 Ų10244.7 Ų44.748%0.47724%0.241SC..SBendtrans52.236.4-171.9-58.3-171.3128.900112.1Q12 L248 G249 G250 T445Q12-E253 PolarHBondContact NE2-O 3.02Å; L248-E253 HydrophobicContact CB-CB 4.1Å; L248-E253 HydrophobicContact CD1-CB 4.44Å; G249-E253 CarbonylContact O-C 3.53Å; G249-E253 VanDerWaalsContact O-CA 3.26Å; G249-E253 WeakPolarHBondContact O-CA 3.47Å; G250-E253 PolarHBondContact O-N 3.03Å; G250-E253 VanDerWaalsContact O-N 3.11Å; E253-T445 WeakPolarHBondContact O-CG2 3.4Å
254E98.4Very high98.7Very high55 Ų5542.7 Ų42.726%0.25723%0.228SC..  trans-88.4-15.6-173.374.4-163.887.800112.9G249 Y252 H365 T445G249-E254 PolarHBondContact O-N 3.34Å; G249-E254 VanDerWaalsContact O-N 3.13Å; Y252-E254 VanDerWaalsContact CD2-OE1 3.25Å; Y252-E254 WeakPolarHBondContact CD2-OE1 3.48Å; Y252-E254 PolarHBondContact O-N 3.41Å; E254-H365 PolarHBondContact O-CE1 2.9Å; E254-H365 VanDerWaalsContact O-CE1 3.29Å; E254-H365 IonicContact OE2-NE2 2.95Å; E254-T445 WeakPolarHBondContact O-CG2 3.27Å; E254-T445 PolarHBondContact O-N 2.92Å; E254-T445 PolarHBondContact O-OG1 2.94Å
255F98.9Very high98.7Very high39 Ų3938.5 Ų38.517%0.17121%0.209CC..EExtended strand (participates in β ladder)trans-105.1153.2179.9-53.5-54.9000112.2L248 G249 F257 F364 M442 C443L248-F255 CarbonylContact C-O 3.56Å; L248-F255 VanDerWaalsContact CA-O 3.25Å; L248-F255 WeakPolarHBondContact CA-O 3.46Å; G249-F255 PolarHBondContact N-O 3.01Å; G249-F255 PolarHBondContact O-N 2.86Å; G249-F255 VanDerWaalsContact O-N 3.08Å; F255-F257 HydrophobicContact CB-CD1 4.24Å; F255-F257 HydrophobicContact CB-CE1 3.65Å; F255-F257 HydrophobicContact CB-CZ 4.17Å; F255-F257 HydrophobicContact CD2-CE1 4.41Å; F255-F257 HydrophobicContact CD2-CZ 4.39Å; F255-F257 HydrophobicContact CG-CE1 4.33Å; F255-F364 HydrophobicContact CD1-CD2 4.08Å; F255-F364 HydrophobicContact CD1-CE2 4.13Å; F255-F364 AromaticContact CE1-CD2 3.55Å; F255-F364 HydrophobicContact CE1-CD2 3.55Å; F255-F364 AromaticContact CE1-CE2 3.88Å; F255-F364 HydrophobicContact CE1-CE2 3.88Å; F255-M442 HydrophobicContact CB-CE 3.94Å; F255-M442 HydrophobicContact CB-CG 4.49Å; F255-M442 HydrophobicContact CD1-CE 3.42Å; F255-M442 VanDerWaalsContact CD1-CE 3.42Å; F255-M442 HydrophobicContact CD2-CE 3.42Å; F255-M442 VanDerWaalsContact CD2-CE 3.42Å; F255-M442 HydrophobicContact CE1-CE 3.72Å; F255-M442 HydrophobicContact CE2-CE 3.69Å; F255-M442 HydrophobicContact CG-CE 3.28Å; F255-M442 HydrophobicContact CZ-CE 3.84Å; F255-C443 CarbonylContact C-O 3.54Å; F255-C443 WeakPolarHBondContact CA-O 3.35Å
256I98.9Very high98.7Very high0 Ų034.6 Ų34.60%018%0.184CC..EExtended strand (participates in β ladder)trans-107.6120.4168.1-62.9168.1000107.3A15 F18 L19 L248 L261 M442 C443 T445 V448A15-I256 HydrophobicContact CB-CD1 4.08Å; A15-I256 HydrophobicContact CB-CG1 4.43Å; F18-I256 HydrophobicContact CD1-CD1 4.07Å; F18-I256 HydrophobicContact CD1-CG2 4.34Å; F18-I256 HydrophobicContact CE1-CG2 4.07Å; L19-I256 HydrophobicContact CD2-CG2 3.83Å; L248-I256 HydrophobicContact CD2-CG1 3.77Å; I256-L261 HydrophobicContact CG2-CD2 3.87Å; I256-M442 WeakPolarHBondContact O-CA 3.44Å; I256-C443 PolarHBondContact N-O 3.39Å; I256-C443 PolarHBondContact O-N 3.34Å; I256-C443 VanDerWaalsContact O-N 3.12Å; I256-T445 HydrophobicContact CD1-CG2 4.47Å; I256-T445 HydrophobicContact CG1-CG2 3.93Å; I256-V448 HydrophobicContact CD1-CG2 3.71Å
257F98.9Very high98.7Very high67 Ų6734.3 Ų34.329%0.29418%0.181SC..EExtended strand (participates in β ladder)trans-104.1108.8171.4-57.3-28.9000108.6A246 A247 F255 R440 M442A246-F257 WeakPolarHBondContact CA-O 3.29Å; A247-F257 PolarHBondContact N-O 2.87Å; A247-F257 PolarHBondContact O-N 2.78Å; F255-F257 HydrophobicContact CB-CD1 4.24Å; F255-F257 HydrophobicContact CB-CE1 3.65Å; F255-F257 HydrophobicContact CB-CZ 4.17Å; F255-F257 HydrophobicContact CD2-CE1 4.41Å; F255-F257 HydrophobicContact CD2-CZ 4.39Å; F255-F257 HydrophobicContact CG-CE1 4.33Å; F257-R440 PolarHBondContact O-NH2 3.03Å; F257-M442 HydrophobicContact CD1-CB 4.29Å; F257-M442 HydrophobicContact CD1-CG 3.94Å; F257-M442 HydrophobicContact CD1-SD 4.5Å; F257-M442 HydrophobicContact CE1-CE 3.94Å; F257-M442 HydrophobicContact CE1-CG 3.79Å; F257-M442 HydrophobicContact CE1-SD 3.85Å
258S98.8Very high98.7Very high0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-149.9144-171-1730000111.9V22 A246 E441V22-S258 WeakPolarHBondContact CG1-OG 3.44Å; V22-S258 WeakPolarHBondContact CG2-OG 3.33Å; A246-S258 VanDerWaalsContact CB-OG 3.26Å; A246-S258 WeakPolarHBondContact CB-OG 3.47Å; S258-E441 PolarHBondContact N-O 3.34Å; S258-E441 VanDerWaalsContact N-O 3.13Å; S258-E441 PolarHBondContact O-N 3.4Å
259P98.6Very high98.7Very high5 Ų531.7 Ų31.73%0.03216%0.161CC..THydrogen-bonded Turntrans-63.515515733.5-38.2000109.8V22 L261 I439V22-P259 VanDerWaalsContact CG2-O 3.26Å; V22-P259 WeakPolarHBondContact CG2-O 3.09Å; P259-L261 PolarHBondContact O-N 3.26Å; P259-L261 VanDerWaalsContact O-N 3.13Å; P259-I439 VanDerWaalsContact CA-O 3.25Å; P259-I439 WeakPolarHBondContact CA-O 2.98Å; P259-I439 WeakPolarHBondContact CB-O 3.07Å
260R98.9Very high98.8Very high32 Ų3231.2 Ų31.212%0.12116%0.156CC..THydrogen-bonded Turntrans58.629.4164.2-51.5174.9-64.2-75.4-4114.5V22 G25 S94 D262 L264 E441V22-R260 HydrophobicContact CG2-CB 4.46Å; V22-R260 PolarHBondContact O-NH2 3.35Å; G25-R260 PolarHBondContact O-NE 2.64Å; G25-R260 PolarHBondContact O-NH2 3.15Å; S94-R260 WeakPolarHBondContact OG-CB 3.41Å; S94-R260 WeakPolarHBondContact OG-CG 3.27Å; R260-D262 PolarHBondContact O-N 3Å; R260-L264 HydrophobicContact CB-CD1 3.73Å; R260-L264 HydrophobicContact CB-CG 3.97Å; R260-L264 WeakPolarHBondContact O-CB 3.28Å; R260-L264 VanDerWaalsContact O-CG 3.3Å; R260-L264 WeakPolarHBondContact O-CG 3.39Å; R260-L264 PolarHBondContact O-N 2.85Å; R260-E441 PolarHBondContact N-OE2 3.47Å
261L98.9Very high98.8Very high0 Ų029.4 Ų29.40%014%0.138CC..Hα-helixtrans-54.1-44.7164.7-67178.9000109F18 I256 P259 N263 L264 H265 M344 E441 C443F18-L261 HydrophobicContact CE1-CD2 3.44Å; F18-L261 VanDerWaalsContact CE1-CD2 3.44Å; F18-L261 HydrophobicContact CZ-CD2 3.67Å; I256-L261 HydrophobicContact CG2-CD2 3.87Å; P259-L261 PolarHBondContact O-N 3.26Å; P259-L261 VanDerWaalsContact O-N 3.13Å; L261-N263 CarbonylContact O-C 3.49Å; L261-N263 VanDerWaalsContact O-C 3.26Å; L261-N263 WeakPolarHBondContact O-CA 3.39Å; L261-L264 PolarHBondContact O-N 3.01Å; L261-L264 VanDerWaalsContact O-N 3.09Å; L261-H265 WeakPolarHBondContact O-CB 3.28Å; L261-H265 PolarHBondContact O-N 2.75Å; L261-M344 HydrophobicContact CB-CE 4.39Å; L261-E441 WeakPolarHBondContact CA-OE2 3.47Å; L261-E441 HydrophobicContact CB-CB 4.18Å; L261-E441 VanDerWaalsContact CB-OE2 3.31Å; L261-E441 WeakPolarHBondContact CB-OE2 3.34Å; L261-E441 HydrophobicContact CD1-CB 3.68Å; L261-E441 HydrophobicContact CG-CB 4.02Å; L261-E441 PolarHBondContact N-OE2 3.17Å; L261-C443 HydrophobicContact CD1-CB 3.78Å
262D98.9Very high98.8Very high4 Ų424.6 Ų24.62%0.02111%0.107CC..Hα-helixtrans-78103.2165.5-167.42.6000110.6H91 S94 R260 M344 M436 H437 E441H91-D262 IonicContact CE1-OD1 3.19Å; H91-D262 PolarHBondContact CE1-OD1 3Å; H91-D262 IonicContact NE2-OD1 2.77Å; S94-D262 WeakPolarHBondContact CB-O 3.36Å; S94-D262 PolarHBondContact OG-O 2.93Å; R260-D262 PolarHBondContact O-N 3Å; D262-M344 HydrophobicContact CB-CG 4.42Å; D262-M436 HydrophobicContact CB-CG 4.24Å; D262-M436 WeakPolarHBondContact OD2-CG 3.47Å; D262-H437 IonicContact OD2-CD2 3.52Å; D262-H437 PolarHBondContact OD2-CD2 3.17Å; D262-H437 VanDerWaalsContact OD2-CD2 3.24Å; D262-H437 IonicContact OD2-NE2 2.62Å; D262-H437 PolarHBondContact OD2-NE2 3.35Å; D262-E441 WeakPolarHBondContact CB-OE1 3.46Å; D262-E441 PolarHBondContact N-OE2 3.26Å
263N98.8Very high98.8Very high0 Ų016.5 Ų16.50%08%0.075CC..Hα-helixcis-124.831.9-2.7-166.219.1000113H91 L261 H265 S266 C267 A342 D343H91-N263 PolarHBondContact CD2-ND2 3.36Å; H91-N263 WeakPolarHBondContact CE1-CB 3.43Å; H91-N263 WeakPolarHBondContact NE2-CB 3.21Å; H91-N263 PolarHBondContact NE2-ND2 2.91Å; L261-N263 CarbonylContact O-C 3.49Å; L261-N263 VanDerWaalsContact O-C 3.26Å; L261-N263 WeakPolarHBondContact O-CA 3.39Å; N263-H265 PolarHBondContact O-N 3.33Å; N263-S266 PolarHBondContact O-N 3.5Å; N263-S266 VanDerWaalsContact O-N 3.15Å; N263-S266 WeakPolarHBondContact OD1-CB 3.39Å; N263-S266 PolarHBondContact OD1-OG 2.94Å; N263-C267 PolarHBondContact O-N 2.77Å; N263-C267 VanDerWaalsContact O-N 3.07Å; N263-A342 PolarHBondContact ND2-O 3.45Å; N263-D343 WeakPolarHBondContact ND2-CA 3.5Å
264L98.9Very high98.9Very high1 Ų111.6 Ų11.61%0.0055%0.052CC..Hα-helixtrans-67.6-20.3178.3-54.8-170.4000112.5F21 V22 G25 V31 R260 L261 Y268F21-L264 HydrophobicContact CE1-CB 4.16Å; V22-L264 HydrophobicContact CG2-CB 4.46Å; V22-L264 HydrophobicContact CG2-CD1 4.08Å; G25-L264 VanDerWaalsContact O-CD1 3.28Å; G25-L264 WeakPolarHBondContact O-CD1 3.47Å; V31-L264 HydrophobicContact CB-CD2 4.24Å; V31-L264 HydrophobicContact CG1-CD2 3.75Å; V31-L264 HydrophobicContact CG2-CD1 3.63Å; V31-L264 HydrophobicContact CG2-CD2 3.45Å; V31-L264 VanDerWaalsContact CG2-CD2 3.45Å; V31-L264 HydrophobicContact CG2-CG 4.21Å; R260-L264 HydrophobicContact CB-CD1 3.73Å; R260-L264 HydrophobicContact CB-CG 3.97Å; R260-L264 WeakPolarHBondContact O-CB 3.28Å; R260-L264 VanDerWaalsContact O-CG 3.3Å; R260-L264 WeakPolarHBondContact O-CG 3.39Å; R260-L264 PolarHBondContact O-N 2.85Å; L261-L264 PolarHBondContact O-N 3.01Å; L261-L264 VanDerWaalsContact O-N 3.09Å; L264-Y268 VanDerWaalsContact O-CB 3.27Å; L264-Y268 WeakPolarHBondContact O-CB 3.32Å; L264-Y268 PolarHBondContact O-N 3.43Å
265H98.9Very high98.9Very high0 Ų010.6 Ų10.60%05%0.048CC..Hα-helixtrans-58.6-52.6168.6-178.1-69.7000111.1F18 L261 N263 Y268 C269 M344 A431 S447F18-H265 HydrophobicContact CE2-CB 4.28Å; F18-H265 HydrophobicContact CZ-CB 4.2Å; L261-H265 WeakPolarHBondContact O-CB 3.28Å; L261-H265 PolarHBondContact O-N 2.75Å; N263-H265 PolarHBondContact O-N 3.33Å; H265-Y268 PolarHBondContact O-N 2.73Å; H265-C269 PolarHBondContact CE1-SG 2.82Å; H265-C269 WeakPolarHBondContact O-CB 3.36Å; H265-C269 PolarHBondContact O-N 3.08Å; H265-C269 PolarHBondContact O-SG 3.22Å; H265-M344 HydrophobicContact CB-CE 4.18Å; H265-M344 HydrophobicContact CB-SD 3.55Å; H265-M344 VanDerWaalsContact CB-SD 3.55Å; H265-A431 WeakPolarHBondContact CE1-CB 3.32Å; H265-S447 PolarHBondContact NE2-OG 2.77Å
266S98.9Very high98.8Very high3 Ų313 Ų132%0.0216%0.06CC..Hα-helixtrans-69.6-38.1-180-57.40000111.9N263 Y268 C269 A270 A342N263-S266 PolarHBondContact O-N 3.5Å; N263-S266 VanDerWaalsContact O-N 3.15Å; N263-S266 WeakPolarHBondContact OD1-CB 3.39Å; N263-S266 PolarHBondContact OD1-OG 2.94Å; S266-Y268 VanDerWaalsContact C-N 3.34Å; S266-Y268 PolarHBondContact O-N 2.68Å; S266-C269 PolarHBondContact O-N 3.06Å; S266-A270 WeakPolarHBondContact O-CB 3.4Å; S266-A270 PolarHBondContact O-N 3.33Å; S266-A342 VanDerWaalsContact CB-O 3.28Å; S266-A342 WeakPolarHBondContact CB-O 3.29Å; S266-A342 PolarHBondContact OG-O 3.46Å
267C98.9Very high98.8Very high0 Ų013 Ų130%06%0.06CC..Hα-helixtrans-55.6-49.5172.6-75.60000111.7F21 H91 N263 L271 L294F21-C267 HydrophobicContact CE1-CB 4.45Å; F21-C267 HydrophobicContact CZ-CB 4.45Å; H91-C267 PolarHBondContact O-SG 2.56Å; N263-C267 PolarHBondContact O-N 2.77Å; N263-C267 VanDerWaalsContact O-N 3.07Å; C267-L271 VanDerWaalsContact O-CB 3.29Å; C267-L271 WeakPolarHBondContact O-CB 3.27Å; C267-L271 PolarHBondContact O-N 2.84Å; C267-L294 HydrophobicContact CB-CD1 4.3Å; C267-L294 HydrophobicContact CB-CD2 4.34Å
268Y98.9Very high98.6Very high11 Ų1110.8 Ų10.84%0.0435%0.052CC..Hα-helixtrans-62.4-50.1178.5171.3-96.6000111.5E17 F18 F21 L264 H265 S266 A270 L271 Q272 V448E17-Y268 VanDerWaalsContact CB-OH 3.24Å; E17-Y268 WeakPolarHBondContact CB-OH 3.35Å; F18-Y268 HydrophobicContact CB-CD1 3.99Å; F18-Y268 HydrophobicContact CB-CE1 3.9Å; F18-Y268 HydrophobicContact CB-CG 4.41Å; F18-Y268 AromaticContact CD2-CD1 3.82Å; F18-Y268 HydrophobicContact CD2-CD1 3.82Å; F18-Y268 HydrophobicContact CD2-CD2 4.43Å; F18-Y268 AromaticContact CD2-CG 3.74Å; F18-Y268 HydrophobicContact CD2-CG 3.74Å; F18-Y268 HydrophobicContact CG-CD1 4.33Å; F21-Y268 HydrophobicContact CB-CD2 3.66Å; F21-Y268 HydrophobicContact CB-CE2 4.2Å; F21-Y268 HydrophobicContact CB-CG 4.47Å; F21-Y268 HydrophobicContact CD1-CD2 4.21Å; F21-Y268 HydrophobicContact CD1-CG 4.41Å; F21-Y268 AromaticContact CD2-CD2 3.96Å; F21-Y268 HydrophobicContact CD2-CD2 3.96Å; F21-Y268 AromaticContact CG-CD2 3.68Å; F21-Y268 HydrophobicContact CG-CD2 3.68Å; F21-Y268 HydrophobicContact CG-CG 4.33Å; L264-Y268 VanDerWaalsContact O-CB 3.27Å; L264-Y268 WeakPolarHBondContact O-CB 3.32Å; L264-Y268 PolarHBondContact O-N 3.43Å; H265-Y268 PolarHBondContact O-N 2.73Å; S266-Y268 VanDerWaalsContact C-N 3.34Å; S266-Y268 PolarHBondContact O-N 2.68Å; Y268-A270 PolarHBondContact O-N 3.01Å; Y268-L271 PolarHBondContact O-N 3.28Å; Y268-Q272 HydrophobicContact CD1-CG 4.31Å; Y268-Q272 HydrophobicContact CD2-CG 4.05Å; Y268-Q272 HydrophobicContact CE1-CG 3.85Å; Y268-Q272 HydrophobicContact CE2-CG 3.59Å; Y268-Q272 HydrophobicContact CG-CG 4.39Å; Y268-Q272 VanDerWaalsContact CZ-CG 3.48Å; Y268-Q272 WeakPolarHBondContact O-CG 3.35Å; Y268-Q272 PolarHBondContact O-N 3.35Å; Y268-V448 HydrophobicContact CD1-CG1 3.98Å; Y268-V448 HydrophobicContact CE1-CG1 3.53Å
269C98.9Very high98.1Very high0 Ų012.6 Ų12.60%07%0.071CC..Hα-helixtrans-63.9-41.5-177.5-64.90000111.4H265 S266 Q272 G273 F455H265-C269 PolarHBondContact CE1-SG 2.82Å; H265-C269 WeakPolarHBondContact O-CB 3.36Å; H265-C269 PolarHBondContact O-N 3.08Å; H265-C269 PolarHBondContact O-SG 3.22Å; S266-C269 PolarHBondContact O-N 3.06Å; C269-Q272 PolarHBondContact O-N 2.61Å; C269-G273 PolarHBondContact O-N 3.4Å; C269-F455 VanDerWaalsContact C-CD2 3.5Å; C269-F455 HydrophobicContact CB-CD2 3.74Å; C269-F455 HydrophobicContact CB-CE2 3.65Å
270A98.9Very high96.9Very high0 Ų016 Ų160%010%0.1CC..Hα-helixtrans-63.5-45.5177.800000110.9I88 S266 Y268 G273 L274 I292 F455I88-A270 HydrophobicContact CB-CB 4.24Å; I88-A270 HydrophobicContact CG2-CB 3.69Å; S266-A270 WeakPolarHBondContact O-CB 3.4Å; S266-A270 PolarHBondContact O-N 3.33Å; Y268-A270 PolarHBondContact O-N 3.01Å; A270-G273 PolarHBondContact O-N 3.27Å; A270-L274 WeakPolarHBondContact O-CB 3.47Å; A270-L274 PolarHBondContact O-N 3.3Å; A270-I292 HydrophobicContact CB-CG2 3.99Å; A270-I292 WeakPolarHBondContact O-CG2 3.38Å; A270-F455 HydrophobicContact CB-CD2 4.35Å; A270-F455 HydrophobicContact CB-CE2 4.41Å
271L98.9Very high96.3Very high0 Ų021.3 Ų21.30%013%0.131CC..Hα-helixtrans-58.8-54.4174.5175.863.5000111.4F21 C35 R38 L39 C267 Y268 G273 L274 L275 I292F21-L271 HydrophobicContact CE2-CD2 4.33Å; C35-L271 HydrophobicContact CB-CD2 4.22Å; R38-L271 HydrophobicContact CB-CD2 4.12Å; L39-L271 HydrophobicContact CD1-CD1 4.31Å; L39-L271 HydrophobicContact CD2-CD1 3.73Å; L39-L271 HydrophobicContact CG-CD1 3.8Å; C267-L271 VanDerWaalsContact O-CB 3.29Å; C267-L271 WeakPolarHBondContact O-CB 3.27Å; C267-L271 PolarHBondContact O-N 2.84Å; Y268-L271 PolarHBondContact O-N 3.28Å; L271-G273 VanDerWaalsContact C-N 3.34Å; L271-G273 PolarHBondContact O-N 3.37Å; L271-L274 PolarHBondContact O-N 2.64Å; L271-L275 HydrophobicContact CD1-CD1 4.16Å; L271-L275 HydrophobicContact CD1-CD2 4.41Å; L271-L275 HydrophobicContact CD1-CG 4.09Å; L271-L275 HydrophobicContact CG-CD1 4.14Å; L271-L275 HydrophobicContact CG-CG 4.4Å; L271-L275 VanDerWaalsContact O-CG 3.28Å; L271-L275 WeakPolarHBondContact O-CG 3.36Å; L271-L275 PolarHBondContact O-N 3.27Å; L271-I292 HydrophobicContact CB-CD1 4.11Å; L271-I292 HydrophobicContact CD1-CD1 3.94Å
272Q98.9Very high96Very high27 Ų2722.7 Ų22.713%0.12614%0.141CC..Hα-helixtrans-61.1-42.6-179.8-67.7-50.5-48.500111.9Y268 C269 L274 L275 E276 T452Y268-Q272 HydrophobicContact CD1-CG 4.31Å; Y268-Q272 HydrophobicContact CD2-CG 4.05Å; Y268-Q272 HydrophobicContact CE1-CG 3.85Å; Y268-Q272 HydrophobicContact CE2-CG 3.59Å; Y268-Q272 HydrophobicContact CG-CG 4.39Å; Y268-Q272 VanDerWaalsContact CZ-CG 3.48Å; Y268-Q272 WeakPolarHBondContact O-CG 3.35Å; Y268-Q272 PolarHBondContact O-N 3.35Å; C269-Q272 PolarHBondContact O-N 2.61Å; Q272-L274 VanDerWaalsContact C-N 3.32Å; Q272-L274 PolarHBondContact O-N 2.73Å; Q272-L275 PolarHBondContact O-N 3.01Å; Q272-E276 WeakPolarHBondContact O-CB 3.28Å; Q272-E276 WeakPolarHBondContact O-CG 3.47Å; Q272-E276 PolarHBondContact O-N 2.75Å; Q272-T452 HydrophobicContact CB-CG2 3.73Å
273G98.7Very high95.9Very high0 Ų023 Ų230%014%0.142CC..Hα-helixtrans-58.5-42.3175.500000112.4C269 A270 L271 S277C269-G273 PolarHBondContact O-N 3.4Å; A270-G273 PolarHBondContact O-N 3.27Å; L271-G273 VanDerWaalsContact C-N 3.34Å; L271-G273 PolarHBondContact O-N 3.37Å; G273-S277 VanDerWaalsContact O-CB 3.24Å; G273-S277 WeakPolarHBondContact O-CB 3.43Å; G273-S277 PolarHBondContact O-N 3.43Å; G273-S277 VanDerWaalsContact O-N 3.07Å; G273-S277 PolarHBondContact O-OG 3.3Å
274L98.9Very high95.8Very high0 Ų026.9 Ų26.90%017%0.166CC..Hα-helixtrans-63-51.5174.7178.263.6000110.7F44 A72 A74 A270 L271 Q272 E276 S277 C278 R290 I292 F459F44-L274 HydrophobicContact CE1-CD2 4.09Å; F44-L274 HydrophobicContact CZ-CD2 4.11Å; F44-L274 HydrophobicContact CZ-CG 4.19Å; A72-L274 HydrophobicContact CB-CD2 4.04Å; A74-L274 HydrophobicContact CB-CD1 4.39Å; A270-L274 WeakPolarHBondContact O-CB 3.47Å; A270-L274 PolarHBondContact O-N 3.3Å; L271-L274 PolarHBondContact O-N 2.64Å; Q272-L274 VanDerWaalsContact C-N 3.32Å; Q272-L274 PolarHBondContact O-N 2.73Å; L274-E276 PolarHBondContact O-N 2.7Å; L274-S277 PolarHBondContact O-N 2.85Å; L274-S277 PolarHBondContact O-OG 3.07Å; L274-C278 PolarHBondContact O-N 3.45Å; L274-C278 PolarHBondContact O-SG 3.47Å; L274-R290 HydrophobicContact CD1-CB 3.7Å; L274-I292 HydrophobicContact CB-CG2 3.95Å; L274-I292 HydrophobicContact CD2-CD1 4.07Å; L274-I292 HydrophobicContact CD2-CG1 3.92Å; L274-I292 HydrophobicContact CD2-CG2 4.04Å; L274-F459 HydrophobicContact CB-CE2 3.82Å; L274-F459 HydrophobicContact CB-CZ 4.22Å; L274-F459 HydrophobicContact CD1-CE2 4.32Å; L274-F459 HydrophobicContact CD1-CZ 4.24Å
275L98.6Very high95.7Very high33 Ų3329.9 Ų29.917%0.17319%0.187CC..Hα-helixtrans-57.1-49.6-178.9-66.8-176.5000111.8R38 L39 A42 F44 L271 Q272 S277 C278R38-L275 HydrophobicContact CB-CD1 4.46Å; L39-L275 HydrophobicContact CD2-CD2 4.04Å; A42-L275 HydrophobicContact CB-CD1 4.47Å; A42-L275 HydrophobicContact CB-CD2 3.44Å; A42-L275 VanDerWaalsContact CB-CD2 3.44Å; A42-L275 HydrophobicContact CB-CG 4.46Å; F44-L275 HydrophobicContact CD2-CD2 4.16Å; F44-L275 HydrophobicContact CE2-CD2 3.53Å; F44-L275 HydrophobicContact CZ-CD2 4.18Å; L271-L275 HydrophobicContact CD1-CD1 4.16Å; L271-L275 HydrophobicContact CD1-CD2 4.41Å; L271-L275 HydrophobicContact CD1-CG 4.09Å; L271-L275 HydrophobicContact CG-CD1 4.14Å; L271-L275 HydrophobicContact CG-CG 4.4Å; L271-L275 VanDerWaalsContact O-CG 3.28Å; L271-L275 WeakPolarHBondContact O-CG 3.36Å; L271-L275 PolarHBondContact O-N 3.27Å; Q272-L275 PolarHBondContact O-N 3.01Å; L275-S277 VanDerWaalsContact C-N 3.29Å; L275-S277 PolarHBondContact O-N 3.08Å; L275-C278 PolarHBondContact O-N 2.95Å
276E97.9Very high95.6Very high90 Ų9030.1 Ų30.142%0.42119%0.188SC..Hα-helixtrans-69-26-178.8-69.6-179.7-159.200113.3Q272 L274 C278 K456Q272-E276 WeakPolarHBondContact O-CB 3.28Å; Q272-E276 WeakPolarHBondContact O-CG 3.47Å; Q272-E276 PolarHBondContact O-N 2.75Å; L274-E276 PolarHBondContact O-N 2.7Å; E276-C278 VanDerWaalsContact C-N 3.33Å; E276-K456 HydrophobicContact CB-CD 3.91Å; E276-K456 HydrophobicContact CB-CG 4.33Å; E276-K456 WeakPolarHBondContact O-CE 3.22Å
277S98.3Very high95.6Very high0 Ų032 Ų320%020%0.201CC..Hα-helixtrans-73.4-26.8176.780.90000111.9G273 L274 L275 G279 S282 R290G273-S277 VanDerWaalsContact O-CB 3.24Å; G273-S277 WeakPolarHBondContact O-CB 3.43Å; G273-S277 PolarHBondContact O-N 3.43Å; G273-S277 VanDerWaalsContact O-N 3.07Å; G273-S277 PolarHBondContact O-OG 3.3Å; L274-S277 PolarHBondContact O-N 2.85Å; L274-S277 PolarHBondContact O-OG 3.07Å; L275-S277 VanDerWaalsContact C-N 3.29Å; L275-S277 PolarHBondContact O-N 3.08Å; S277-G279 PolarHBondContact O-N 2.62Å; S277-S282 WeakPolarHBondContact O-CB 2.98Å; S277-S282 PolarHBondContact O-OG 2.88Å; S277-R290 PolarHBondContact O-NH1 2.88Å; S277-R290 PolarHBondContact OG-NH1 3.35Å
278C95.6Very high95.6Very high20 Ų2032.6 Ų32.614%0.13520%0.204CC..  trans-7522.6-171.3-67.90000115.2K60 A74 L274 L275 E276K60-C278 HydrophobicContact CD-CB 4.18Å; A74-C278 WeakPolarHBondContact CB-SG 3.12Å; L274-C278 PolarHBondContact O-N 3.45Å; L274-C278 PolarHBondContact O-SG 3.47Å; L275-C278 PolarHBondContact O-N 2.95Å; E276-C278 VanDerWaalsContact C-N 3.33Å
279G88.1Confident95.6Very high39 Ų3932.1 Ų32.140%0.40220%0.202SC..  trans-57.2145172.100000111.7S277 D281 S282 L283S277-G279 PolarHBondContact O-N 2.62Å; G279-D281 PolarHBondContact O-N 3.33Å; G279-S282 WeakPolarHBondContact O-CB 3.25Å; G279-S282 PolarHBondContact O-N 2.9Å; G279-L283 PolarHBondContact O-N 3.12Å
280A73.7Confident95.6Very high77 Ų7732.2 Ų32.264%0.63620%0.202SC*.Hα-helixtrans-53.1-46.2-167.500000113.8T284A280-T284 VanDerWaalsContact O-CB 3.29Å; A280-T284 WeakPolarHBondContact O-CB 3.31Å; A280-T284 PolarHBondContact O-N 3.24Å; A280-T284 VanDerWaalsContact O-N 3.16Å; A280-T284 PolarHBondContact O-OG1 3.47Å
281D86.2Confident95.6Very high142 Ų14232.2 Ų32.276%0.75920%0.202SC*.Hα-helixtrans-72.3-35.9-179.2-61.7-27.7000112.6G279 S285G279-D281 PolarHBondContact O-N 3.33Å; D281-S285 PolarHBondContact O-N 2.98Å; D281-S285 PolarHBondContact O-OG 2.89Å; D281-S285 VanDerWaalsContact O-OG 3.13Å
282S92.8Very high95.6Very high30 Ų3032.2 Ų32.221%0.2120%0.202CC..Hα-helixtrans-65.1-50.6179.11800000110.8S277 G279 S285 D286 R290S277-S282 WeakPolarHBondContact O-CB 2.98Å; S277-S282 PolarHBondContact O-OG 2.88Å; G279-S282 WeakPolarHBondContact O-CB 3.25Å; G279-S282 PolarHBondContact O-N 2.9Å; S282-S285 PolarHBondContact O-OG 3.44Å; S282-D286 PolarHBondContact O-N 3.4Å; S282-R290 PolarHBondContact OG-NH1 3.06Å; S282-R290 PolarHBondContact OG-NH2 3.06Å
283L96.4Very high95.6Very high9 Ų930.9 Ų30.95%0.04720%0.196CC..Hα-helixtrans-71.3-37.3-177.8-171.664.3000112.4K60 A74 G76 G77 G279 S285 D286K60-L283 HydrophobicContact CG-CD2 4.29Å; A74-L283 HydrophobicContact CB-CD1 3.87Å; A74-L283 HydrophobicContact CB-CD2 4.18Å; G76-L283 CarbonylContact C-O 3.55Å; G76-L283 WeakPolarHBondContact CA-O 3.07Å; G77-L283 PolarHBondContact N-O 3.1Å; G279-L283 PolarHBondContact O-N 3.12Å; L283-S285 PolarHBondContact O-N 3.42Å; L283-D286 PolarHBondContact O-N 2.92Å
284T96.2Very high95.6Very high82 Ų8231 Ų3150%0.50320%0.196SC..Hα-helixtrans-62-33.1-177.8-60.30000112.4G77 A280G77-T284 CarbonylContact C-O 3.49Å; G77-T284 VanDerWaalsContact CA-O 3.28Å; G77-T284 WeakPolarHBondContact CA-O 3.42Å; A280-T284 VanDerWaalsContact O-CB 3.29Å; A280-T284 WeakPolarHBondContact O-CB 3.31Å; A280-T284 PolarHBondContact O-N 3.24Å; A280-T284 VanDerWaalsContact O-N 3.16Å; A280-T284 PolarHBondContact O-OG1 3.47Å
285S96.1Very high95.6Very high64 Ų6431 Ų3145%0.44820%0.197SC..Hα-helixtrans-90.6-8.7-178.963.80000114.5K78 D281 S282 L283K78-S285 WeakPolarHBondContact CD-O 3.38Å; D281-S285 PolarHBondContact O-N 2.98Å; D281-S285 PolarHBondContact O-OG 2.89Å; D281-S285 VanDerWaalsContact O-OG 3.13Å; S282-S285 PolarHBondContact O-OG 3.44Å; L283-S285 PolarHBondContact O-N 3.42Å
286D98.3Very high95.6Very high5 Ų529.7 Ų29.73%0.02719%0.19CC..  trans-74129.3-175-158.1-42.6000111.7G76 G77 K78 S282 L283 N288 R290G76-D286 CarbonylContact C-O 3.59Å; G76-D286 VanDerWaalsContact C-O 3.25Å; G76-D286 WeakPolarHBondContact CA-O 3.21Å; G77-D286 PolarHBondContact N-O 3.34Å; K78-D286 PolarHBondContact N-O 2.83Å; S282-D286 PolarHBondContact O-N 3.4Å; L283-D286 PolarHBondContact O-N 2.92Å; D286-N288 WeakPolarHBondContact OD1-CB 3.26Å; D286-N288 PolarHBondContact OD1-N 3.48Å; D286-R290 IonicContact OD2-CZ 3.63Å; D286-R290 IonicContact OD2-NE 3.47Å; D286-R290 PolarHBondContact OD2-NE 3.47Å; D286-R290 IonicContact OD2-NH2 2.82Å; D286-R290 PolarHBondContact OD2-NH2 3.31Å
287P98.3Very high95.6Very high44 Ų4426 Ų2629%0.28617%0.173SC..  trans-83.8-13.5174.635.1-37.3000113.8Y79 N83 P463Y79-P287 WeakPolarHBondContact CA-O 3.38Å; N83-P287 WeakPolarHBondContact CB-O 3.38Å; N83-P287 PolarHBondContact ND2-O 3.38Å; P287-P463 HydrophobicContact CG-CB 3.7Å; P287-P463 HydrophobicContact CG-CG 4.2Å
288N98.6Very high95.7Very high12 Ų1227.2 Ų27.26%0.06418%0.178CC..SBendtrans-101.7166.6-174.8-77.97.7000112G76 G84 S86 D286 P463G76-N288 WeakPolarHBondContact CA-O 3.35Å; G76-N288 PolarHBondContact N-O 2.92Å; G84-N288 PolarHBondContact N-OD1 3.33Å; G84-N288 VanDerWaalsContact O-CA 3.26Å; G84-N288 WeakPolarHBondContact O-CA 3.22Å; G84-N288 WeakPolarHBondContact O-CB 3.38Å; G84-N288 PolarHBondContact O-OD1 3.45Å; S86-N288 PolarHBondContact OG-ND2 2.86Å; D286-N288 WeakPolarHBondContact OD1-CB 3.26Å; D286-N288 PolarHBondContact OD1-N 3.48Å; N288-P463 HydrophobicContact CB-CG 4.27Å
289I98.9Very high95.8Very high0 Ų027.4 Ų27.40%018%0.177CC..EExtended strand (participates in β ladder)trans-90124.7160-68.9171000108.1F73 V75 Y79 G84 F85 S86 M291 L320F73-I289 HydrophobicContact CB-CG2 3.8Å; F73-I289 HydrophobicContact CD2-CG2 4.26Å; F73-I289 HydrophobicContact CG-CG2 4.39Å; V75-I289 HydrophobicContact CB-CG1 4.45Å; V75-I289 HydrophobicContact CG1-CD1 4.49Å; V75-I289 HydrophobicContact CG1-CG1 4.09Å; V75-I289 HydrophobicContact CG2-CG1 4.41Å; Y79-I289 HydrophobicContact CD1-CD1 4.03Å; Y79-I289 HydrophobicContact CD1-CG1 4.16Å; Y79-I289 HydrophobicContact CD2-CD1 4.04Å; Y79-I289 HydrophobicContact CD2-CG1 3.69Å; Y79-I289 HydrophobicContact CE1-CD1 3.62Å; Y79-I289 HydrophobicContact CE1-CG1 4.22Å; Y79-I289 HydrophobicContact CE2-CD1 3.63Å; Y79-I289 HydrophobicContact CE2-CG1 3.76Å; Y79-I289 HydrophobicContact CG-CD1 4.22Å; Y79-I289 HydrophobicContact CG-CG1 3.89Å; G84-I289 PolarHBondContact O-N 2.74Å; F85-I289 WeakPolarHBondContact CA-O 3.4Å; F85-I289 HydrophobicContact CD1-CB 3.69Å; F85-I289 HydrophobicContact CD1-CD1 4.28Å; F85-I289 HydrophobicContact CD1-CG1 4.5Å; F85-I289 HydrophobicContact CD1-CG2 4.02Å; F85-I289 HydrophobicContact CE1-CB 4.01Å; F85-I289 HydrophobicContact CE1-CD1 3.67Å; F85-I289 HydrophobicContact CE1-CG1 4.35Å; F85-I289 HydrophobicContact CE1-CG2 4.34Å; S86-I289 PolarHBondContact N-O 2.86Å; I289-M291 HydrophobicContact CG2-CE 4.46Å; I289-L320 HydrophobicContact CD1-CB 3.95Å; I289-L320 HydrophobicContact CD1-CD1 4.28Å; I289-L320 HydrophobicContact CD1-CG 4.48Å
290R98.9Very high96.3Very high2 Ų229.4 Ų29.41%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-84.9133.6170.2-62.1172.9179.7178.910108.6F73 A74 S86 L274 S277 S282 D286 F459F73-R290 CarbonylContact C-O 3.6Å; F73-R290 WeakPolarHBondContact CA-O 3.48Å; F73-R290 VanDerWaalsContact CB-O 3.31Å; F73-R290 WeakPolarHBondContact CB-O 3.5Å; A74-R290 HydrophobicContact CB-CB 4.47Å; A74-R290 PolarHBondContact N-O 3.29Å; A74-R290 PolarHBondContact O-N 2.9Å; S86-R290 CarbonylContact O-C 3.25Å; S86-R290 WeakPolarHBondContact O-CA 3.48Å; L274-R290 HydrophobicContact CD1-CB 3.7Å; S277-R290 PolarHBondContact O-NH1 2.88Å; S277-R290 PolarHBondContact OG-NH1 3.35Å; S282-R290 PolarHBondContact OG-NH1 3.06Å; S282-R290 PolarHBondContact OG-NH2 3.06Å; D286-R290 IonicContact OD2-CZ 3.63Å; D286-R290 IonicContact OD2-NE 3.47Å; D286-R290 PolarHBondContact OD2-NE 3.47Å; D286-R290 IonicContact OD2-NH2 2.82Å; D286-R290 PolarHBondContact OD2-NH2 3.31Å; R290-F459 HydrophobicContact CB-CD1 3.69Å; R290-F459 HydrophobicContact CB-CE1 4.05Å; R290-F459 HydrophobicContact CB-CG 4.32Å; R290-F459 HydrophobicContact CG-CB 4.11Å; R290-F459 HydrophobicContact CG-CD1 3.81Å; R290-F459 HydrophobicContact CG-CG 4.22Å; R290-F459 PolarHBondContact NE-O 2.81Å
291M98.9Very high97.4Very high0 Ų027.5 Ų27.50%017%0.169CC..EExtended strand (participates in β ladder)trans-145.8142.6-174177.9179.6-7000112.1I71 A72 F73 S86 M87 I88 I289 T293 I316 L317 L320I71-M291 HydrophobicContact CG2-CE 4.09Å; I71-M291 HydrophobicContact CG2-CG 3.88Å; I71-M291 HydrophobicContact CG2-SD 3.78Å; A72-M291 CarbonylContact O-C 3.5Å; A72-M291 VanDerWaalsContact O-CA 3.29Å; A72-M291 WeakPolarHBondContact O-CA 3.13Å; F73-M291 HydrophobicContact CB-CB 4.06Å; F73-M291 HydrophobicContact CB-CE 3.93Å; F73-M291 HydrophobicContact CB-CG 4.23Å; F73-M291 HydrophobicContact CD1-CE 4.25Å; F73-M291 HydrophobicContact CG-CE 4.23Å; S86-M291 PolarHBondContact O-N 2.94Å; M87-M291 CarbonylContact C-O 3.55Å; M87-M291 VanDerWaalsContact CA-O 3.29Å; M87-M291 WeakPolarHBondContact CA-O 3.24Å; M87-M291 HydrophobicContact CG-CB 4.17Å; M87-M291 HydrophobicContact CG-SD 4.46Å; M87-M291 HydrophobicContact SD-SD 4.27Å; I88-M291 PolarHBondContact N-O 3.35Å; I289-M291 HydrophobicContact CG2-CE 4.46Å; M291-T293 HydrophobicContact CG-CG2 3.98Å; M291-T293 HydrophobicContact SD-CG2 3.83Å; M291-I316 HydrophobicContact CE-CG2 4.23Å; M291-L317 HydrophobicContact CE-CD2 3.75Å; M291-L317 HydrophobicContact SD-CD2 3.88Å; M291-L320 HydrophobicContact CE-CD1 3.47Å; M291-L320 VanDerWaalsContact CE-CD1 3.47Å
292I98.9Very high98Very high0 Ų020.8 Ų20.80%013%0.134CC..EExtended strand (participates in β ladder)trans-114.1143.5161.466.3-179.9000109.7I71 A72 I88 A270 L271 L274 L294 F459I71-I292 WeakPolarHBondContact CA-O 3.49Å; A72-I292 HydrophobicContact CB-CD1 4.15Å; A72-I292 HydrophobicContact CB-CG1 3.87Å; A72-I292 PolarHBondContact N-O 3.46Å; A72-I292 VanDerWaalsContact N-O 3.08Å; A72-I292 PolarHBondContact O-N 3.43Å; I88-I292 HydrophobicContact CB-CG2 4.39Å; I88-I292 CarbonylContact O-C 3.5Å; I88-I292 WeakPolarHBondContact O-CA 3.15Å; A270-I292 HydrophobicContact CB-CG2 3.99Å; A270-I292 WeakPolarHBondContact O-CG2 3.38Å; L271-I292 HydrophobicContact CB-CD1 4.11Å; L271-I292 HydrophobicContact CD1-CD1 3.94Å; L274-I292 HydrophobicContact CB-CG2 3.95Å; L274-I292 HydrophobicContact CD2-CD1 4.07Å; L274-I292 HydrophobicContact CD2-CG1 3.92Å; L274-I292 HydrophobicContact CD2-CG2 4.04Å; I292-L294 HydrophobicContact CD1-CD1 4.34Å; I292-L294 HydrophobicContact CD1-CG 4.44Å; I292-F459 HydrophobicContact CG2-CE2 4.48Å; I292-F459 HydrophobicContact CG2-CZ 3.9Å
293T98.8Very high98.3Very high0 Ų027 Ų270%016%0.159CC..EExtended strand (participates in β ladder)trans-128.4106.5175.958.10000109.5I71 I88 G89 A90 M291 F295 T313I71-T293 HydrophobicContact CD1-CG2 3.86Å; I71-T293 HydrophobicContact CG1-CG2 4Å; I71-T293 HydrophobicContact CG2-CG2 4.06Å; I88-T293 PolarHBondContact O-N 2.85Å; G89-T293 VanDerWaalsContact CA-O 3.28Å; G89-T293 WeakPolarHBondContact CA-O 3.49Å; G89-T293 WeakPolarHBondContact CA-OG1 3.32Å; A90-T293 PolarHBondContact N-O 3.21Å; M291-T293 HydrophobicContact CG-CG2 3.98Å; M291-T293 HydrophobicContact SD-CG2 3.83Å; T293-F295 VanDerWaalsContact CB-CZ 3.46Å; T293-F295 HydrophobicContact CG2-CZ 4.27Å; T293-F295 WeakPolarHBondContact OG1-CE2 3.19Å; T293-F295 WeakPolarHBondContact OG1-CZ 3.34Å; T293-T313 HydrophobicContact CG2-CG2 4.32Å
294L98.9Very high98.4Very high1 Ų128.1 Ų28.11%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-104.3104.4-177.4-48.4-176.3000108.5S69 L70 A90 T92 C267 I292S69-L294 CarbonylContact C-O 3.47Å; S69-L294 WeakPolarHBondContact CA-O 3.38Å; S69-L294 VanDerWaalsContact CB-O 3.28Å; S69-L294 WeakPolarHBondContact CB-O 3.09Å; L70-L294 HydrophobicContact CD2-CD1 4.35Å; L70-L294 PolarHBondContact N-O 3.44Å; L70-L294 PolarHBondContact O-N 2.82Å; A90-L294 HydrophobicContact CB-CD2 3.99Å; A90-L294 WeakPolarHBondContact O-CA 3.2Å; T92-L294 HydrophobicContact CG2-CB 3.68Å; C267-L294 HydrophobicContact CB-CD1 4.3Å; C267-L294 HydrophobicContact CB-CD2 4.34Å; I292-L294 HydrophobicContact CD1-CD1 4.34Å; I292-L294 HydrophobicContact CD1-CG 4.44Å
295F98.9Very high98.5Very high2 Ų227 Ų271%0.00917%0.167CC..EExtended strand (participates in β ladder)trans-91.7151.7-173-60.4-75.3000112.2A90 H91 T92 T293 A308 T313 I414 L418A90-F295 PolarHBondContact O-N 2.8Å; H91-F295 CarbonylContact C-O 3.6Å; H91-F295 WeakPolarHBondContact CA-O 3.41Å; H91-F295 VanDerWaalsContact CB-O 3.24Å; H91-F295 WeakPolarHBondContact CB-O 3.07Å; T92-F295 PolarHBondContact N-O 3.39Å; T92-F295 PolarHBondContact OG1-O 3.27Å; T293-F295 VanDerWaalsContact CB-CZ 3.46Å; T293-F295 HydrophobicContact CG2-CZ 4.27Å; T293-F295 WeakPolarHBondContact OG1-CE2 3.19Å; T293-F295 WeakPolarHBondContact OG1-CZ 3.34Å; F295-A308 HydrophobicContact CB-CB 4.42Å; F295-A308 HydrophobicContact CD1-CB 4.24Å; F295-A308 HydrophobicContact CD2-CB 3.98Å; F295-A308 HydrophobicContact CE2-CB 4.28Å; F295-A308 HydrophobicContact CG-CB 3.94Å; F295-T313 WeakPolarHBondContact CE1-OG1 3.43Å; F295-T313 WeakPolarHBondContact CZ-OG1 3.24Å; F295-I414 HydrophobicContact CD2-CD1 3.9Å; F295-I414 HydrophobicContact CE2-CD1 4.2Å; F295-L418 HydrophobicContact CD2-CD1 4.37Å; F295-L418 HydrophobicContact CE2-CD1 3.53Å; F295-L418 HydrophobicContact CE2-CD2 4.18Å; F295-L418 HydrophobicContact CE2-CG 4.45Å; F295-L418 HydrophobicContact CZ-CD1 4.06Å; F295-L418 HydrophobicContact CZ-CD2 3.84Å
296D98.9Very high98.7Very high4 Ų425.2 Ų25.22%0.02115%0.151CC..SBendtrans-94.7168165.3-177.220.4000108.3S68 S69 D93 E298 Q306 G307S68-D296 WeakPolarHBondContact CB-OD2 3.4Å; S68-D296 WeakPolarHBondContact OG-CB 3.35Å; S68-D296 PolarHBondContact OG-OD2 2.84Å; S69-D296 WeakPolarHBondContact OG-CB 3.43Å; S69-D296 PolarHBondContact OG-N 3.01Å; D93-D296 WeakPolarHBondContact CB-OD1 3.42Å; D296-E298 VanDerWaalsContact C-N 3.33Å; D296-E298 PolarHBondContact O-N 3.04Å; D296-Q306 HydrophobicContact CB-CG 3.77Å; D296-Q306 PolarHBondContact OD2-NE2 3.44Å; D296-G307 WeakPolarHBondContact O-CA 3.2Å
297N98.8Very high98.7Very high14 Ų1425 Ų258%0.07515%0.15CC..  trans65.922.6171.6-43133000116.9D93 Y118 E299 V300 G301 S302 S304 Q306D93-N297 PolarHBondContact OD1-N 3.12Å; D93-N297 VanDerWaalsContact OD2-CA 3.29Å; D93-N297 WeakPolarHBondContact OD2-CA 3.16Å; D93-N297 PolarHBondContact OD2-N 2.79Å; Y118-N297 VanDerWaalsContact OH-CA 3.25Å; Y118-N297 WeakPolarHBondContact OH-CA 3.25Å; Y118-N297 PolarHBondContact OH-ND2 2.9Å; N297-E299 VanDerWaalsContact C-N 3.31Å; N297-E299 PolarHBondContact O-N 2.92Å; N297-V300 HydrophobicContact CB-CG2 3.68Å; N297-V300 WeakPolarHBondContact O-CG2 3.45Å; N297-V300 PolarHBondContact O-N 3.47Å; N297-G301 PolarHBondContact O-N 3.45Å; N297-S302 WeakPolarHBondContact O-CA 3.17Å; N297-S302 PolarHBondContact O-N 3.48Å; N297-S304 WeakPolarHBondContact OD1-CB 3.39Å; N297-S304 PolarHBondContact OD1-OG 3.3Å; N297-Q306 PolarHBondContact OD1-NE2 3.34Å
298E98.8Very high98.7Very high24 Ų2422.9 Ų22.911%0.11214%0.136CC..G310 helixtrans-59.9-46.6173.2-163.4-76.916400111H91 D93 D296 V300 G301 S302 T413 I414H91-E298 HydrophobicContact CB-CB 3.49Å; H91-E298 VanDerWaalsContact CB-CB 3.49Å; H91-E298 HydrophobicContact CB-CG 4.11Å; H91-E298 VanDerWaalsContact CD2-CG 3.48Å; H91-E298 WeakPolarHBondContact CD2-CG 3.49Å; H91-E298 IonicContact CE1-OE2 3.79Å; H91-E298 IonicContact NE2-OE2 3.17Å; D93-E298 PolarHBondContact OD1-N 2.92Å; D93-E298 VanDerWaalsContact OD1-N 3.08Å; D93-E298 PolarHBondContact OD2-N 3.27Å; D296-E298 VanDerWaalsContact C-N 3.33Å; D296-E298 PolarHBondContact O-N 3.04Å; E298-V300 PolarHBondContact O-N 3.33Å; E298-G301 PolarHBondContact O-N 3.01Å; E298-S302 WeakPolarHBondContact CA-OG 3.41Å; E298-T413 WeakPolarHBondContact OE1-CA 3.26Å; E298-I414 HydrophobicContact CB-CG2 4.31Å; E298-I414 HydrophobicContact CG-CG2 3.49Å; E298-I414 VanDerWaalsContact CG-CG2 3.49Å
299E98.4Very high98.7Very high24 Ų2424.9 Ų24.911%0.11215%0.146CC..G310 helixtrans-63.8-10.5-174.1-70.5-68.9-179.100114.4H91 D93 P95 Y118 G119 N297 H437H91-E299 IonicContact CE1-OE1 2.74Å; D93-E299 WeakPolarHBondContact OD2-CB 3.45Å; D93-E299 PolarHBondContact OD2-N 3.49Å; P95-E299 VanDerWaalsContact CD-OE1 3.26Å; P95-E299 WeakPolarHBondContact CD-OE1 3.31Å; P95-E299 VanDerWaalsContact CG-CD 3.49Å; P95-E299 HydrophobicContact CG-CG 4.09Å; P95-E299 WeakPolarHBondContact CG-OE2 3.27Å; Y118-E299 HydrophobicContact CE1-CB 4.04Å; G119-E299 WeakPolarHBondContact CA-O 3.49Å; N297-E299 VanDerWaalsContact C-N 3.31Å; N297-E299 PolarHBondContact O-N 2.92Å; E299-H437 IonicContact OE1-CD2 2.7Å; E299-H437 IonicContact OE1-NE2 3.42Å; E299-H437 IonicContact OE2-CE1 3.75Å; E299-H437 IonicContact OE2-NE2 3.78Å
300V98.4Very high98.7Very high81 Ų8125.5 Ų25.549%0.49115%0.15SC..G310 helixtrans-123.715.3-179.8-60.70000112.5Y118 N297 E298Y118-V300 HydrophobicContact CD2-CG1 3.93Å; Y118-V300 HydrophobicContact CE1-CG1 4.44Å; Y118-V300 HydrophobicContact CE2-CG1 3.67Å; Y118-V300 HydrophobicContact CE2-CG2 4.04Å; Y118-V300 HydrophobicContact CG-CG1 4.44Å; N297-V300 HydrophobicContact CB-CG2 3.68Å; N297-V300 WeakPolarHBondContact O-CG2 3.45Å; N297-V300 PolarHBondContact O-N 3.47Å; E298-V300 PolarHBondContact O-N 3.33Å
301G97.8Very high98.6Very high37 Ų3729.3 Ų29.338%0.38117%0.171SC..THydrogen-bonded Turntrans101.37.6170.900000115.8N297 E298 E303 Q309N297-G301 PolarHBondContact O-N 3.45Å; E298-G301 PolarHBondContact O-N 3.01Å; G301-E303 PolarHBondContact O-N 3.36Å; G301-Q309 PolarHBondContact O-NE2 3.18Å
302S98.6Very high98.5Very high1 Ų129.5 Ų29.51%0.00717%0.172CC..SBendtrans63.35.9175-66.10000116.8N297 E298 S304 G307 Q309N297-S302 WeakPolarHBondContact O-CA 3.17Å; N297-S302 PolarHBondContact O-N 3.48Å; E298-S302 WeakPolarHBondContact CA-OG 3.41Å; S302-S304 VanDerWaalsContact C-N 3.34Å; S302-S304 PolarHBondContact O-N 3.5Å; S302-G307 CarbonylContact O-C 3.58Å; S302-Q309 VanDerWaalsContact O-CB 3.3Å; S302-Q309 WeakPolarHBondContact O-CB 3.29Å; S302-Q309 PolarHBondContact O-N 2.8Å; S302-Q309 VanDerWaalsContact O-N 3.1Å
303E98.6Very high98.5Very high161 Ų16129.6 Ų29.675%0.75217%0.172SC*.  trans-83.374.7-179.2-164.5175.5-169.700111.6G301G301-E303 PolarHBondContact O-N 3.36Å
304S98.8Very high98.4Very high33 Ų3333.5 Ų33.523%0.23119%0.19CC..SBendtrans-147.3172.5174.3790000110.8N297 S302 Q306 G307 S310N297-S304 WeakPolarHBondContact OD1-CB 3.39Å; N297-S304 PolarHBondContact OD1-OG 3.3Å; S302-S304 VanDerWaalsContact C-N 3.34Å; S302-S304 PolarHBondContact O-N 3.5Å; S304-Q306 PolarHBondContact O-N 3.37Å; S304-Q306 PolarHBondContact OG-N 3.47Å; S304-G307 PolarHBondContact O-N 3.48Å; S304-G307 PolarHBondContact OG-N 3.21Å; S304-S310 WeakPolarHBondContact O-CB 3.45Å
305A98.6Very high98.4Very high57 Ų5737.1 Ų37.147%0.47121%0.209SC..SBendtrans-66.9-17.5177.900000113.4R65 S310R65-A305 PolarHBondContact NH1-O 2.93Å; A305-S310 WeakPolarHBondContact O-CB 3.29Å; A305-S310 PolarHBondContact O-OG 3.38Å
306Q98.6Very high98.4Very high27 Ų2737 Ų3713%0.12621%0.209CC..SBendtrans-115-12.2-179.569.3-88.810.100113.3R65 N66 S69 D296 N297 S304R65-Q306 HydrophobicContact CB-CB 4.38Å; R65-Q306 HydrophobicContact CG-CB 3.91Å; N66-Q306 HydrophobicContact CB-CB 4.15Å; N66-Q306 HydrophobicContact CB-CG 4.15Å; N66-Q306 PolarHBondContact ND2-NE2 2.9Å; N66-Q306 VanDerWaalsContact ND2-NE2 3.13Å; S69-Q306 WeakPolarHBondContact CB-O 3.42Å; S69-Q306 WeakPolarHBondContact OG-CB 3.45Å; S69-Q306 PolarHBondContact OG-O 3.2Å; D296-Q306 HydrophobicContact CB-CG 3.77Å; D296-Q306 PolarHBondContact OD2-NE2 3.44Å; N297-Q306 PolarHBondContact OD1-NE2 3.34Å; S304-Q306 PolarHBondContact O-N 3.37Å; S304-Q306 PolarHBondContact OG-N 3.47Å
307G98.7Very high98.4Very high0 Ų037 Ų370%021%0.208CC..SBendtrans-78.2173177.200000114.1D296 S302 S304 Q309 S310D296-G307 WeakPolarHBondContact O-CA 3.2Å; S302-G307 CarbonylContact O-C 3.58Å; S304-G307 PolarHBondContact O-N 3.48Å; S304-G307 PolarHBondContact OG-N 3.21Å; G307-Q309 PolarHBondContact O-N 3.01Å; G307-S310 WeakPolarHBondContact O-CB 3.45Å; G307-S310 PolarHBondContact O-N 3.47Å
308A98.6Very high98.3Very high0 Ų038.3 Ų38.30%022%0.219CC..THydrogen-bonded Turntrans-65.3-19.8-174.200000114.5F295 S310 I414 I417 L418F295-A308 HydrophobicContact CB-CB 4.42Å; F295-A308 HydrophobicContact CD1-CB 4.24Å; F295-A308 HydrophobicContact CD2-CB 3.98Å; F295-A308 HydrophobicContact CE2-CB 4.28Å; F295-A308 HydrophobicContact CG-CB 3.94Å; A308-S310 VanDerWaalsContact C-N 3.28Å; A308-I414 HydrophobicContact CB-CB 3.78Å; A308-I414 HydrophobicContact CB-CG2 3.58Å; A308-I417 HydrophobicContact CB-CG2 4.12Å; A308-I417 WeakPolarHBondContact O-CG2 3.46Å; A308-L418 HydrophobicContact CB-CD1 4.36Å; A308-L418 HydrophobicContact CB-CD2 4.37Å; A308-L418 HydrophobicContact CB-CG 4.24Å
309Q98.4Very high98.2Very high55 Ų5541 Ų4126%0.25723%0.228SC..THydrogen-bonded Turntrans-79.4-10.1172.3-63.2-157.94300113.2G301 S302 G307 I417 R421G301-Q309 PolarHBondContact O-NE2 3.18Å; S302-Q309 VanDerWaalsContact O-CB 3.3Å; S302-Q309 WeakPolarHBondContact O-CB 3.29Å; S302-Q309 PolarHBondContact O-N 2.8Å; S302-Q309 VanDerWaalsContact O-N 3.1Å; G307-Q309 PolarHBondContact O-N 3.01Å; Q309-I417 HydrophobicContact CB-CG2 4.31Å; Q309-I417 HydrophobicContact CG-CD1 4.18Å; Q309-I417 HydrophobicContact CG-CG2 3.63Å; Q309-R421 PolarHBondContact O-NE 2.9Å; Q309-R421 PolarHBondContact O-NH1 2.83Å; Q309-R421 VanDerWaalsContact O-NH1 3.1Å; Q309-R421 PolarHBondContact O-NH2 2.7Å; Q309-R421 VanDerWaalsContact O-NH2 3.11Å
310S98.4Very high98.2Very high13 Ų1340.3 Ų40.39%0.09123%0.225CC..SBendtrans-60.6148.2177.4-172.90000111.3S304 A305 G307 A308 L312S304-S310 WeakPolarHBondContact O-CB 3.45Å; A305-S310 WeakPolarHBondContact O-CB 3.29Å; A305-S310 PolarHBondContact O-OG 3.38Å; G307-S310 WeakPolarHBondContact O-CB 3.45Å; G307-S310 PolarHBondContact O-N 3.47Å; A308-S310 VanDerWaalsContact C-N 3.28Å; S310-L312 PolarHBondContact O-N 2.8Å; S310-L312 VanDerWaalsContact OG-CB 3.3Å; S310-L312 WeakPolarHBondContact OG-CB 3.42Å; S310-L312 PolarHBondContact OG-N 2.86Å; S310-L312 VanDerWaalsContact OG-N 3.09Å
311N96.6Very high98.1Very high82 Ų8236.5 Ų36.544%0.43920%0.202SC..THydrogen-bonded Turntrans-72.4-0.6166.168.4-17.2000112.7T313 E314 L315N311-T313 VanDerWaalsContact C-N 3.31Å; N311-T313 PolarHBondContact O-N 2.95Å; N311-E314 PolarHBondContact O-N 3.24Å; N311-E314 VanDerWaalsContact O-N 3.17Å; N311-L315 VanDerWaalsContact O-CG 3.31Å; N311-L315 WeakPolarHBondContact O-CG 3.44Å; N311-L315 PolarHBondContact O-N 3.38Å
312L98.1Very high98Very high4 Ų438.1 Ų38.12%0.02121%0.212CC..Hα-helixtrans-47.6-49.8178.5175.658000113R65 I71 S310 L315 I316R65-L312 HydrophobicContact CB-CD2 3.72Å; R65-L312 HydrophobicContact CG-CD2 4.08Å; I71-L312 HydrophobicContact CD1-CG 4.36Å; S310-L312 PolarHBondContact O-N 2.8Å; S310-L312 VanDerWaalsContact OG-CB 3.3Å; S310-L312 WeakPolarHBondContact OG-CB 3.42Å; S310-L312 PolarHBondContact OG-N 2.86Å; S310-L312 VanDerWaalsContact OG-N 3.09Å; L312-L315 PolarHBondContact O-N 2.95Å; L312-I316 HydrophobicContact CD1-CD1 3.59Å; L312-I316 HydrophobicContact CD1-CG1 4.23Å; L312-I316 HydrophobicContact CG-CD1 4.09Å; L312-I316 WeakPolarHBondContact O-CG1 3.31Å; L312-I316 PolarHBondContact O-N 3.29Å
313T98.1Very high97.8Very high1 Ų139.7 Ų39.71%0.00622%0.223CC..Hα-helixtrans-63.8-46.3-178.1-48.90000110.9T293 F295 N311 L315 I316 L317 L422T293-T313 HydrophobicContact CG2-CG2 4.32Å; F295-T313 WeakPolarHBondContact CE1-OG1 3.43Å; F295-T313 WeakPolarHBondContact CZ-OG1 3.24Å; N311-T313 VanDerWaalsContact C-N 3.31Å; N311-T313 PolarHBondContact O-N 2.95Å; T313-L315 PolarHBondContact O-N 3Å; T313-I316 PolarHBondContact O-N 3.22Å; T313-L317 HydrophobicContact CG2-CD1 4Å; T313-L317 HydrophobicContact CG2-CG 4.34Å; T313-L317 WeakPolarHBondContact O-CB 3.36Å; T313-L317 VanDerWaalsContact O-CG 3.24Å; T313-L317 WeakPolarHBondContact O-CG 3.46Å; T313-L317 PolarHBondContact O-N 3Å; T313-L422 HydrophobicContact CG2-CD1 3.83Å; T313-L422 HydrophobicContact CG2-CD2 4.48Å
314E97.9Very high97.5Very high83 Ų8337.2 Ų37.239%0.38823%0.23SC..Hα-helixtrans-61-42.6177.1-171.5-173.5171.200111.9N311 I316 L317 S318 F330 L422N311-E314 PolarHBondContact O-N 3.24Å; N311-E314 VanDerWaalsContact O-N 3.17Å; E314-I316 VanDerWaalsContact C-N 3.35Å; E314-I316 PolarHBondContact O-N 3.36Å; E314-L317 PolarHBondContact O-N 2.91Å; E314-S318 WeakPolarHBondContact O-CB 3.34Å; E314-S318 PolarHBondContact O-N 3.02Å; E314-S318 PolarHBondContact O-OG 3.49Å; E314-F330 HydrophobicContact CG-CE1 3.88Å; E314-F330 HydrophobicContact CG-CZ 4.06Å; E314-L422 HydrophobicContact CB-CD2 3.86Å; E314-L422 HydrophobicContact CG-CD2 4.44Å
315L98.1Very high97.3Very high76 Ų7640.9 Ų40.940%0.39826%0.256SS..Hα-helixtrans-60.4-44.4176.5-71.1173.9000111.3N311 L312 T313 R319N311-L315 VanDerWaalsContact O-CG 3.31Å; N311-L315 WeakPolarHBondContact O-CG 3.44Å; N311-L315 PolarHBondContact O-N 3.38Å; L312-L315 PolarHBondContact O-N 2.95Å; T313-L315 PolarHBondContact O-N 3Å; L315-R319 VanDerWaalsContact O-CG 3.24Å; L315-R319 WeakPolarHBondContact O-CG 3.42Å; L315-R319 PolarHBondContact O-N 3.14Å
316I98.4Very high97.1Very high1 Ų139.7 Ų39.71%0.00524%0.241CC..Hα-helixtrans-67.4-48178.8-72.4171.2000110.7W53 V63 I71 M291 L312 T313 E314 S318 R319 L320W53-I316 HydrophobicContact CH2-CG1 4.07Å; W53-I316 HydrophobicContact CZ3-CG1 4.5Å; W53-I316 HydrophobicContact CZ3-CG2 4.36Å; V63-I316 HydrophobicContact CG1-CD1 3.59Å; I71-I316 HydrophobicContact CB-CD1 4.32Å; I71-I316 HydrophobicContact CD1-CD1 3.62Å; I71-I316 HydrophobicContact CG1-CD1 4.29Å; I71-I316 HydrophobicContact CG2-CG2 4.41Å; M291-I316 HydrophobicContact CE-CG2 4.23Å; L312-I316 HydrophobicContact CD1-CD1 3.59Å; L312-I316 HydrophobicContact CD1-CG1 4.23Å; L312-I316 HydrophobicContact CG-CD1 4.09Å; L312-I316 WeakPolarHBondContact O-CG1 3.31Å; L312-I316 PolarHBondContact O-N 3.29Å; T313-I316 PolarHBondContact O-N 3.22Å; E314-I316 VanDerWaalsContact C-N 3.35Å; E314-I316 PolarHBondContact O-N 3.36Å; I316-S318 VanDerWaalsContact C-N 3.31Å; I316-S318 PolarHBondContact O-N 2.84Å; I316-R319 PolarHBondContact O-N 3.15Å; I316-L320 HydrophobicContact CG2-CD1 3.92Å; I316-L320 HydrophobicContact CG2-CG 4.42Å; I316-L320 VanDerWaalsContact O-CG 3.27Å; I316-L320 WeakPolarHBondContact O-CG 3.42Å; I316-L320 PolarHBondContact O-N 3.13Å
317L98.6Very high96.8Very high2 Ų244.1 Ų44.11%0.0127%0.272CS..Hα-helixtrans-60.6-41.2177.8-65.1174.6000111.7F85 M87 M291 T313 E314 R319 L320 A321 F330 L422F85-L317 HydrophobicContact CB-CD2 4.41Å; F85-L317 HydrophobicContact CD1-CD2 3.43Å; F85-L317 VanDerWaalsContact CD1-CD2 3.43Å; F85-L317 HydrophobicContact CD2-CD2 3.91Å; F85-L317 HydrophobicContact CE1-CD2 3.5Å; F85-L317 HydrophobicContact CE2-CB 4.37Å; F85-L317 HydrophobicContact CE2-CD2 3.97Å; F85-L317 HydrophobicContact CG-CD2 3.66Å; F85-L317 HydrophobicContact CZ-CB 4.24Å; F85-L317 HydrophobicContact CZ-CD2 3.79Å; M87-L317 HydrophobicContact SD-CD1 4.13Å; M87-L317 HydrophobicContact SD-CD2 4.07Å; M291-L317 HydrophobicContact CE-CD2 3.75Å; M291-L317 HydrophobicContact SD-CD2 3.88Å; T313-L317 HydrophobicContact CG2-CD1 4Å; T313-L317 HydrophobicContact CG2-CG 4.34Å; T313-L317 WeakPolarHBondContact O-CB 3.36Å; T313-L317 VanDerWaalsContact O-CG 3.24Å; T313-L317 WeakPolarHBondContact O-CG 3.46Å; T313-L317 PolarHBondContact O-N 3Å; E314-L317 PolarHBondContact O-N 2.91Å; L317-R319 PolarHBondContact O-N 2.82Å; L317-L320 PolarHBondContact O-N 2.82Å; L317-A321 WeakPolarHBondContact O-CB 3.47Å; L317-A321 PolarHBondContact O-N 2.86Å; L317-F330 HydrophobicContact CB-CD2 3.9Å; L317-F330 HydrophobicContact CB-CE2 3.47Å; L317-F330 VanDerWaalsContact CB-CE2 3.47Å; L317-F330 HydrophobicContact CB-CZ 4.33Å; L317-F330 HydrophobicContact CD1-CE2 3.95Å; L317-F330 HydrophobicContact CD1-CZ 4.49Å; L317-F330 HydrophobicContact CG-CE2 4.36Å; L317-L422 HydrophobicContact CD1-CD1 4.1Å; L317-L422 HydrophobicContact CD1-CD2 4.21Å
318S97.6Very high96.7Very high43 Ų4346.4 Ų46.430%0.30129%0.288SS..Hα-helixtrans-63.1-40.8176.2-63.70000112.1E314 I316 L320 A321 A322E314-S318 WeakPolarHBondContact O-CB 3.34Å; E314-S318 PolarHBondContact O-N 3.02Å; E314-S318 PolarHBondContact O-OG 3.49Å; I316-S318 VanDerWaalsContact C-N 3.31Å; I316-S318 PolarHBondContact O-N 2.84Å; S318-L320 VanDerWaalsContact C-N 3.35Å; S318-A321 PolarHBondContact O-N 3.11Å; S318-A322 WeakPolarHBondContact O-CB 3.3Å; S318-A322 PolarHBondContact O-N 3.19Å
319R97.1Very high96.6Very high80 Ų8046.5 Ų46.530%0.30229%0.289SS..Hα-helixtrans-63.8-39173.9-73.7172.570.3159.711.3112.3E49 E51 W53 L315 I316 L317 A322E49-R319 PolarHBondContact O-NH1 2.86Å; E51-R319 PolarHBondContact O-NH2 2.74Å; W53-R319 VanDerWaalsContact CD2-CZ 3.47Å; W53-R319 VanDerWaalsContact CE2-CZ 3.43Å; W53-R319 HydrophobicContact CE3-CB 4.39Å; W53-R319 HydrophobicContact CZ3-CB 4.41Å; W53-R319 VanDerWaalsContact NE1-NH2 3.17Å; L315-R319 VanDerWaalsContact O-CG 3.24Å; L315-R319 WeakPolarHBondContact O-CG 3.42Å; L315-R319 PolarHBondContact O-N 3.14Å; I316-R319 PolarHBondContact O-N 3.15Å; L317-R319 PolarHBondContact O-N 2.82Å; R319-A322 WeakPolarHBondContact O-CB 3.28Å; R319-A322 PolarHBondContact O-N 3.47Å
320L97.9Very high96.6Very high9 Ų945.1 Ų45.15%0.04728%0.283CS..Hα-helixtrans-73.2-30179-66.1173.5000113.2I55 F73 Y79 F85 I289 M291 I316 L317 S318I55-L320 HydrophobicContact CB-CD2 4.49Å; I55-L320 HydrophobicContact CD1-CD2 4.32Å; I55-L320 HydrophobicContact CG1-CD2 3.92Å; I55-L320 HydrophobicContact CG2-CD2 4.02Å; F73-L320 HydrophobicContact CD1-CD1 4.39Å; F73-L320 HydrophobicContact CD2-CD1 4.2Å; F73-L320 HydrophobicContact CD2-CD2 4.12Å; F73-L320 HydrophobicContact CE1-CD1 4.42Å; F73-L320 HydrophobicContact CE1-CD2 4.43Å; F73-L320 HydrophobicContact CE2-CD1 4.21Å; F73-L320 HydrophobicContact CE2-CD2 3.42Å; F73-L320 VanDerWaalsContact CE2-CD2 3.42Å; F73-L320 HydrophobicContact CE2-CG 4.46Å; F73-L320 HydrophobicContact CG-CD1 4.28Å; F73-L320 HydrophobicContact CZ-CD1 4.32Å; F73-L320 HydrophobicContact CZ-CD2 3.61Å; Y79-L320 PolarHBondContact OH-O 2.93Å; F85-L320 HydrophobicContact CE1-CB 4.05Å; F85-L320 HydrophobicContact CE1-CD1 4.11Å; F85-L320 HydrophobicContact CZ-CB 4.25Å; I289-L320 HydrophobicContact CD1-CB 3.95Å; I289-L320 HydrophobicContact CD1-CD1 4.28Å; I289-L320 HydrophobicContact CD1-CG 4.48Å; M291-L320 HydrophobicContact CE-CD1 3.47Å; M291-L320 VanDerWaalsContact CE-CD1 3.47Å; I316-L320 HydrophobicContact CG2-CD1 3.92Å; I316-L320 HydrophobicContact CG2-CG 4.42Å; I316-L320 VanDerWaalsContact O-CG 3.27Å; I316-L320 WeakPolarHBondContact O-CG 3.42Å; I316-L320 PolarHBondContact O-N 3.13Å; L317-L320 PolarHBondContact O-N 2.82Å; S318-L320 VanDerWaalsContact C-N 3.35Å
321A97.4Very high96.5Very high1 Ų150.3 Ų50.31%0.00831%0.305CS..Hα-helixtrans-89.7-5.5175.800000113.1P81 F85 L317 S318 S323 A329 F330P81-A321 WeakPolarHBondContact CB-O 3.4Å; F85-A321 HydrophobicContact CZ-CB 4.38Å; L317-A321 WeakPolarHBondContact O-CB 3.47Å; L317-A321 PolarHBondContact O-N 2.86Å; S318-A321 PolarHBondContact O-N 3.11Å; A321-S323 PolarHBondContact O-N 2.82Å; A321-A329 HydrophobicContact CB-CB 4.24Å; A321-A329 WeakPolarHBondContact O-CB 3.49Å; A321-F330 HydrophobicContact CB-CB 3.95Å
322A95.3Very high96.5Very high71 Ų7149.9 Ų49.959%0.58730%0.301SS*.  trans-59127.1-174.800000111.7S318 R319S318-A322 WeakPolarHBondContact O-CB 3.3Å; S318-A322 PolarHBondContact O-N 3.19Å; R319-A322 WeakPolarHBondContact O-CB 3.28Å; R319-A322 PolarHBondContact O-N 3.47Å
323S93.1Very high96.5Very high34 Ų3449.7 Ų49.724%0.23830%0.3CS..  trans-148.7129.8176.7177.70000111.1A321 S325 N326A321-S323 PolarHBondContact O-N 2.82Å; S323-S325 PolarHBondContact O-N 3.38Å; S323-S325 PolarHBondContact OG-N 2.89Å; S323-S325 PolarHBondContact OG-OG 3.43Å; S323-S325 VanDerWaalsContact OG-OG 3.06Å; S323-N326 CarbonylContact O-C 3.33Å; S323-N326 PolarHBondContact O-N 2.93Å; S323-N326 PolarHBondContact OG-N 2.85Å
324A92.2Very high96.5Very high109 Ų10950.1 Ų50.190%0.90130%0.303SS*.THydrogen-bonded Turntrans-63.3-29175.700000112.6
325S94.8Very high96.4Very high111 Ų11149.5 Ų49.578%0.77631%0.307SS*.THydrogen-bonded Turntrans-89.6-13.1179.359.60000113.9S323S323-S325 PolarHBondContact O-N 3.38Å; S323-S325 PolarHBondContact OG-N 2.89Å; S323-S325 PolarHBondContact OG-OG 3.43Å; S323-S325 VanDerWaalsContact OG-OG 3.06Å
326N94.3Very high96.3Very high31 Ų3151.5 Ų51.517%0.16631%0.309CS..  trans-13782.7177.4-174.23.2000110.6S323 S328 A329 Q332S323-N326 CarbonylContact O-C 3.33Å; S323-N326 PolarHBondContact O-N 2.93Å; S323-N326 PolarHBondContact OG-N 2.85Å; N326-S328 PolarHBondContact O-N 3.1Å; N326-S328 VanDerWaalsContact O-N 3.12Å; N326-S328 PolarHBondContact OD1-N 2.91Å; N326-S328 PolarHBondContact OD1-OG 2.94Å; N326-A329 HydrophobicContact CB-CB 4.14Å; N326-A329 VanDerWaalsContact O-CB 3.26Å; N326-A329 WeakPolarHBondContact O-CB 3.46Å; N326-A329 PolarHBondContact O-N 3.05Å; N326-A329 VanDerWaalsContact O-N 3.12Å; N326-A329 PolarHBondContact OD1-N 3.19Å; N326-Q332 PolarHBondContact ND2-OE1 3.3Å
327P93.3Very high96.3Very high120 Ų12051.5 Ų51.578%0.77931%0.309SS*.THydrogen-bonded Turntrans-61-20.7179.5-24.134.8000114.2
328S96.3Very high96.4Very high48 Ų4851.8 Ų51.834%0.33631%0.31SS..THydrogen-bonded Turntrans-98.914.5179.655.20000114N326 F330 Q331 Q332N326-S328 PolarHBondContact O-N 3.1Å; N326-S328 VanDerWaalsContact O-N 3.12Å; N326-S328 PolarHBondContact OD1-N 2.91Å; N326-S328 PolarHBondContact OD1-OG 2.94Å; S328-F330 VanDerWaalsContact C-N 3.34Å; S328-F330 PolarHBondContact O-N 3.49Å; S328-Q331 VanDerWaalsContact CA-OE1 3.24Å; S328-Q331 PolarHBondContact O-N 3.37Å; S328-Q331 PolarHBondContact O-OE1 3.23Å; S328-Q332 WeakPolarHBondContact O-CG 3.28Å; S328-Q332 PolarHBondContact O-N 2.92Å; S328-Q332 PolarHBondContact OG-NE2 3.43Å
329A97.6Very high96.4Very high2 Ų249.8 Ų49.82%0.01730%0.296CS..Hα-helixtrans-57.6-42.3-171.500000113.2P81 G82 A321 N326 Q332 A333P81-A329 HydrophobicContact CB-CB 4.13Å; G82-A329 WeakPolarHBondContact CA-O 3.38Å; A321-A329 HydrophobicContact CB-CB 4.24Å; A321-A329 WeakPolarHBondContact O-CB 3.49Å; N326-A329 HydrophobicContact CB-CB 4.14Å; N326-A329 VanDerWaalsContact O-CB 3.26Å; N326-A329 WeakPolarHBondContact O-CB 3.46Å; N326-A329 PolarHBondContact O-N 3.05Å; N326-A329 VanDerWaalsContact O-N 3.12Å; N326-A329 PolarHBondContact OD1-N 3.19Å; A329-Q332 PolarHBondContact O-N 2.89Å; A329-A333 WeakPolarHBondContact O-CB 3.42Å; A329-A333 PolarHBondContact O-N 3.05Å
330F96.6Very high96.5Very high27 Ų2746 Ų4612%0.11828%0.282CS..Hα-helixtrans-64.4-44.1177.8175.1-118.7000112E314 L317 A321 S328 Q332 A333 A334E314-F330 HydrophobicContact CG-CE1 3.88Å; E314-F330 HydrophobicContact CG-CZ 4.06Å; L317-F330 HydrophobicContact CB-CD2 3.9Å; L317-F330 HydrophobicContact CB-CE2 3.47Å; L317-F330 VanDerWaalsContact CB-CE2 3.47Å; L317-F330 HydrophobicContact CB-CZ 4.33Å; L317-F330 HydrophobicContact CD1-CE2 3.95Å; L317-F330 HydrophobicContact CD1-CZ 4.49Å; L317-F330 HydrophobicContact CG-CE2 4.36Å; A321-F330 HydrophobicContact CB-CB 3.95Å; S328-F330 VanDerWaalsContact C-N 3.34Å; S328-F330 PolarHBondContact O-N 3.49Å; F330-Q332 PolarHBondContact O-N 2.92Å; F330-A333 WeakPolarHBondContact O-CB 3.35Å; F330-A333 PolarHBondContact O-N 3.36Å; F330-A334 PolarHBondContact O-N 3.11Å
331Q97Very high96.6Very high121 Ų12145.6 Ų45.657%0.56528%0.279SS*.Hα-helixtrans-63-32.4178.9-6482-4.600111.9S328 P335S328-Q331 VanDerWaalsContact CA-OE1 3.24Å; S328-Q331 PolarHBondContact O-N 3.37Å; S328-Q331 PolarHBondContact O-OE1 3.23Å; Q331-P335 WeakPolarHBondContact O-CD 3.17Å
332Q96.8Very high96.6Very high74 Ų7445.5 Ų45.535%0.34628%0.279SS..Hα-helixtrans-76.3-32.9173.6-66.8171.84.900112.6N326 S328 A329 F330 P335 R336N326-Q332 PolarHBondContact ND2-OE1 3.3Å; S328-Q332 WeakPolarHBondContact O-CG 3.28Å; S328-Q332 PolarHBondContact O-N 2.92Å; S328-Q332 PolarHBondContact OG-NE2 3.43Å; A329-Q332 PolarHBondContact O-N 2.89Å; F330-Q332 PolarHBondContact O-N 2.92Å; Q332-P335 WeakPolarHBondContact O-CD 3.16Å; Q332-R336 WeakPolarHBondContact O-CD 3.48Å; Q332-R336 WeakPolarHBondContact O-CG 3.46Å
333A98.1Very high96.8Very high0 Ų042.9 Ų42.90%026%0.255CS..Hα-helixtrans-70.8-39.6179.200000112.5N83 F85 A329 F330 R336 S337N83-A333 WeakPolarHBondContact O-CB 3.34Å; F85-A333 HydrophobicContact CD2-CB 4.13Å; F85-A333 HydrophobicContact CE2-CB 3.68Å; A329-A333 WeakPolarHBondContact O-CB 3.42Å; A329-A333 PolarHBondContact O-N 3.05Å; F330-A333 WeakPolarHBondContact O-CB 3.35Å; F330-A333 PolarHBondContact O-N 3.36Å; A333-R336 CarbonylContact O-C 3.6Å; A333-R336 WeakPolarHBondContact O-CA 3.35Å; A333-R336 WeakPolarHBondContact O-CB 3.28Å; A333-R336 PolarHBondContact O-N 3.1Å; A333-S337 PolarHBondContact O-N 2.62Å; A333-S337 PolarHBondContact O-OG 2.86Å
334A97.3Very high97.1Very high10 Ų1041.4 Ų41.48%0.08324%0.244CC..G310 helixtrans-51.2-54-177.400000114.2F330 R336 S337 V424F330-A334 PolarHBondContact O-N 3.11Å; A334-R336 PolarHBondContact O-N 2.73Å; A334-S337 VanDerWaalsContact O-CB 3.3Å; A334-S337 WeakPolarHBondContact O-CB 3.35Å; A334-S337 PolarHBondContact O-N 3.33Å; A334-V424 HydrophobicContact CB-CG2 4.19Å
335P96.3Very high97.4Very high70 Ų7036.3 Ų36.346%0.45520%0.202SC..G310 helixtrans-72-9178.429.8-37.3000114.6Q331 Q332 R466Q331-P335 WeakPolarHBondContact O-CD 3.17Å; Q332-P335 WeakPolarHBondContact O-CD 3.16Å; P335-R466 PolarHBondContact O-NH2 3.12Å
336R97.2Very high97.6Very high118 Ų11835.1 Ų35.145%0.44518%0.184SC..G310 helixtrans-93.9-7.3172.2-62.9174.4177.4-174-4.7112.4G82 Q332 A333 A334G82-R336 WeakPolarHBondContact O-CD 3.38Å; G82-R336 PolarHBondContact O-NH1 2.95Å; Q332-R336 WeakPolarHBondContact O-CD 3.48Å; Q332-R336 WeakPolarHBondContact O-CG 3.46Å; A333-R336 CarbonylContact O-C 3.6Å; A333-R336 WeakPolarHBondContact O-CA 3.35Å; A333-R336 WeakPolarHBondContact O-CB 3.28Å; A333-R336 PolarHBondContact O-N 3.1Å; A334-R336 PolarHBondContact O-N 2.73Å
337S98.6Very high97.8Very high1 Ų133.8 Ų33.81%0.00718%0.178CC..  trans-93.9167.7-177.1-56.20000111.4F85 A333 A334F85-S337 WeakPolarHBondContact CD2-OG 3.48Å; F85-S337 PolarHBondContact N-OG 2.76Å; F85-S337 VanDerWaalsContact O-CA 3.23Å; F85-S337 WeakPolarHBondContact O-CA 3.37Å; F85-S337 VanDerWaalsContact O-CB 3.31Å; F85-S337 WeakPolarHBondContact O-CB 3.34Å; A333-S337 PolarHBondContact O-N 2.62Å; A333-S337 PolarHBondContact O-OG 2.86Å; A334-S337 VanDerWaalsContact O-CB 3.3Å; A334-S337 WeakPolarHBondContact O-CB 3.35Å; A334-S337 PolarHBondContact O-N 3.33Å
338F98.8Very high98Very high7 Ų729.9 Ų29.93%0.03115%0.151CC..EExtended strand (participates in β ladder)trans-154.2143.7174.7-170.7-83.3000109.9F85 M87 I340 T384 V387 V388 P425 V427 F458 F462F85-F338 PolarHBondContact O-N 3.31Å; M87-F338 PolarHBondContact N-O 2.98Å; F338-I340 HydrophobicContact CE1-CG1 4.12Å; F338-T384 HydrophobicContact CE2-CG2 3.77Å; F338-T384 HydrophobicContact CZ-CG2 4.31Å; F338-T384 WeakPolarHBondContact CZ-O 3.29Å; F338-V387 HydrophobicContact CD2-CG1 4.44Å; F338-V387 HydrophobicContact CE1-CG1 4.42Å; F338-V387 HydrophobicContact CE2-CB 3.95Å; F338-V387 HydrophobicContact CE2-CG1 4.09Å; F338-V387 HydrophobicContact CE2-CG2 4.09Å; F338-V387 HydrophobicContact CZ-CB 4.03Å; F338-V387 HydrophobicContact CZ-CG1 4.09Å; F338-V388 HydrophobicContact CE1-CG2 4.32Å; F338-V388 HydrophobicContact CZ-CG2 4.33Å; F338-P425 HydrophobicContact CD2-CB 4.04Å; F338-P425 HydrophobicContact CE2-CB 4.42Å; F338-V427 HydrophobicContact CE1-CB 4.3Å; F338-V427 HydrophobicContact CE1-CG1 3.43Å; F338-V427 VanDerWaalsContact CE1-CG1 3.43Å; F338-V427 HydrophobicContact CZ-CB 4Å; F338-V427 HydrophobicContact CZ-CG1 3.6Å; F338-F458 HydrophobicContact CB-CE2 4.44Å; F338-F458 HydrophobicContact CB-CZ 4.44Å; F338-F458 AromaticContact CD1-CE2 3.5Å; F338-F458 HydrophobicContact CD1-CE2 3.5Å; F338-F458 VanDerWaalsContact CD1-CE2 3.5Å; F338-F458 AromaticContact CD1-CZ 3.8Å; F338-F458 HydrophobicContact CD1-CZ 3.8Å; F338-F458 HydrophobicContact CE1-CE2 4.1Å; F338-F458 HydrophobicContact CG-CE2 4.29Å; F338-F462 HydrophobicContact CB-CD1 4.5Å; F338-F462 HydrophobicContact CB-CD2 3.99Å; F338-F462 HydrophobicContact CB-CE1 3.83Å; F338-F462 HydrophobicContact CB-CE2 3.23Å; F338-F462 HydrophobicContact CB-CZ 3.15Å; F338-F462 HydrophobicContact CD1-CE2 4.47Å; F338-F462 AromaticContact CD2-CE2 3.97Å; F338-F462 HydrophobicContact CD2-CE2 3.97Å; F338-F462 HydrophobicContact CG-CD2 4.27Å; F338-F462 AromaticContact CG-CE2 3.68Å; F338-F462 HydrophobicContact CG-CE2 3.68Å; F338-F462 HydrophobicContact CG-CZ 4.11Å
339M98.9Very high98.2Very high1 Ų130.2 Ų30.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-123.2132.6176.4-173.6176.9-8000111.8M87 L418 L422 P425 V426 V427M87-M339 HydrophobicContact CB-CB 4.06Å; M87-M339 HydrophobicContact CB-CE 3.8Å; M87-M339 HydrophobicContact CB-CG 3.99Å; M87-M339 HydrophobicContact CE-CB 4.35Å; M87-M339 HydrophobicContact CE-CE 3.86Å; M87-M339 HydrophobicContact CG-CE 4.36Å; M87-M339 CarbonylContact O-C 3.51Å; M87-M339 VanDerWaalsContact O-CA 3.29Å; M87-M339 WeakPolarHBondContact O-CA 3.28Å; M87-M339 HydrophobicContact SD-CE 3.69Å; M339-L418 HydrophobicContact CE-CD1 4.18Å; M339-L418 HydrophobicContact SD-CB 3.88Å; M339-L418 HydrophobicContact SD-CD1 3.49Å; M339-L418 WeakPolarHBondContact SD-CD1 3.39Å; M339-L418 HydrophobicContact SD-CG 4.23Å; M339-L422 HydrophobicContact CE-CD1 4.38Å; M339-P425 PolarHBondContact N-O 2.88Å; M339-V426 HydrophobicContact CB-CG1 4.28Å; M339-V426 HydrophobicContact CB-CG2 4.01Å; M339-V426 HydrophobicContact CG-CG1 4.45Å; M339-V426 VanDerWaalsContact O-CA 3.28Å; M339-V426 WeakPolarHBondContact O-CA 3.31Å; M339-V427 PolarHBondContact O-N 2.83Å
340I98.9Very high98.2Very high1 Ų134.5 Ų34.51%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-89.1114.8159.3-60.6178.3000107.7M87 I88 G89 F338 A342 V427 I429 F455 F458M87-I340 PolarHBondContact O-N 2.77Å; I88-I340 CarbonylContact C-O 3.56Å; I88-I340 VanDerWaalsContact CA-O 3.29Å; I88-I340 WeakPolarHBondContact CA-O 3.43Å; I88-I340 HydrophobicContact CG1-CB 4.23Å; I88-I340 HydrophobicContact CG2-CB 4.33Å; I88-I340 HydrophobicContact CG2-CG2 4.49Å; G89-I340 PolarHBondContact N-O 3.11Å; F338-I340 HydrophobicContact CE1-CG1 4.12Å; I340-A342 HydrophobicContact CG2-CB 4.37Å; I340-A342 PolarHBondContact O-N 2.84Å; I340-V427 CarbonylContact C-O 3.42Å; I340-V427 HydrophobicContact CB-CG1 4.29Å; I340-V427 HydrophobicContact CG1-CG1 3.86Å; I340-V427 HydrophobicContact CG2-CG1 4.44Å; I340-I429 HydrophobicContact CG2-CD1 3.75Å; I340-I429 HydrophobicContact CG2-CG1 3.61Å; I340-F455 HydrophobicContact CD1-CD1 4.21Å; I340-F455 HydrophobicContact CD1-CE1 4.35Å; I340-F455 HydrophobicContact CG2-CE1 3.92Å; I340-F458 HydrophobicContact CD1-CB 3.89Å; I340-F458 HydrophobicContact CD1-CD1 3.81Å; I340-F458 HydrophobicContact CD1-CD2 3.79Å; I340-F458 HydrophobicContact CD1-CE1 4.28Å; I340-F458 HydrophobicContact CD1-CE2 4.28Å; I340-F458 HydrophobicContact CD1-CG 3.53Å; I340-F458 HydrophobicContact CD1-CZ 4.5Å; I340-F458 HydrophobicContact CG1-CD1 4.38Å; I340-F458 HydrophobicContact CG1-CD2 4.28Å; I340-F458 HydrophobicContact CG1-CE1 4.35Å; I340-F458 HydrophobicContact CG1-CE2 4.27Å; I340-F458 HydrophobicContact CG1-CG 4.33Å; I340-F458 HydrophobicContact CG1-CZ 4.3Å
341S98.9Very high98.3Very high0 Ų039.2 Ų39.20%020%0.202CC..EExtended strand (participates in β ladder)trans-80.9102.2164.2172.30000107.7I414 G415 V427 D428 I429S341-I414 WeakPolarHBondContact OG-CG1 3.3Å; S341-G415 WeakPolarHBondContact OG-CA 3.32Å; S341-G415 PolarHBondContact OG-N 3.19Å; S341-V427 PolarHBondContact N-O 2.79Å; S341-D428 WeakPolarHBondContact CB-OD1 3.23Å; S341-D428 WeakPolarHBondContact O-CA 3.05Å; S341-D428 PolarHBondContact OG-OD1 3.26Å; S341-I429 PolarHBondContact O-N 2.62Å
342A98.9Very high98.4Very high0 Ų039.7 Ų39.70%020%0.199CC..EExtended strand (participates in β ladder)trans-97.3110.1-176.800000109.8I88 G89 A90 N263 S266 I340 I429 F455I88-A342 HydrophobicContact CG2-CB 3.94Å; G89-A342 WeakPolarHBondContact O-CA 3.36Å; G89-A342 WeakPolarHBondContact O-CB 3.29Å; G89-A342 PolarHBondContact O-N 3.34Å; A90-A342 WeakPolarHBondContact CB-O 3.19Å; N263-A342 PolarHBondContact ND2-O 3.45Å; S266-A342 VanDerWaalsContact CB-O 3.28Å; S266-A342 WeakPolarHBondContact CB-O 3.29Å; S266-A342 PolarHBondContact OG-O 3.46Å; I340-A342 HydrophobicContact CG2-CB 4.37Å; I340-A342 PolarHBondContact O-N 2.84Å; A342-I429 WeakPolarHBondContact CA-O 3.43Å; A342-F455 HydrophobicContact CB-CE1 4.39Å; A342-F455 HydrophobicContact CB-CE2 4.13Å; A342-F455 HydrophobicContact CB-CZ 3.54Å
343D98.9Very high98.4Very high16 Ų1639 Ų399%0.08620%0.2CC..  trans-151.3146178.4164.640.5000109.1H91 N263 K371 T413 I429 G430H91-D343 IonicContact NE2-OD1 3.8Å; N263-D343 WeakPolarHBondContact ND2-CA 3.5Å; D343-K371 VanDerWaalsContact C-NZ 3.25Å; D343-K371 WeakPolarHBondContact O-CE 3.32Å; D343-K371 PolarHBondContact O-NZ 3.07Å; D343-K371 IonicContact OD2-NZ 3.08Å; D343-K371 PolarHBondContact OD2-NZ 2.92Å; D343-T413 HydrophobicContact CB-CG2 4.4Å; D343-T413 VanDerWaalsContact OD2-CG2 3.23Å; D343-T413 WeakPolarHBondContact OD2-CG2 3.43Å; D343-I429 PolarHBondContact N-O 2.71Å; D343-I429 CarbonylContact O-C 3.56Å; D343-G430 WeakPolarHBondContact O-CA 3.24Å; D343-G430 PolarHBondContact O-N 2.98Å
344M98.8Very high98.4Very high3 Ų343.9 Ų43.92%0.01522%0.223CC..  trans-56.2161.9-170.8-64.7-61.1-76.100112.8L261 D262 H265 K371 A431 Q433 M436 C443L261-M344 HydrophobicContact CB-CE 4.39Å; D262-M344 HydrophobicContact CB-CG 4.42Å; H265-M344 HydrophobicContact CB-CE 4.18Å; H265-M344 HydrophobicContact CB-SD 3.55Å; H265-M344 VanDerWaalsContact CB-SD 3.55Å; M344-K371 PolarHBondContact O-NZ 3.48Å; M344-A431 HydrophobicContact CE-CB 3.85Å; M344-A431 WeakPolarHBondContact CE-O 3.13Å; M344-A431 HydrophobicContact SD-CB 3.87Å; M344-Q433 HydrophobicContact CB-CG 4.2Å; M344-Q433 VanDerWaalsContact CB-OE1 3.27Å; M344-Q433 HydrophobicContact CE-CB 3.78Å; M344-Q433 HydrophobicContact CE-CG 4.02Å; M344-M436 HydrophobicContact CB-CE 3.5Å; M344-M436 VanDerWaalsContact CB-CE 3.5Å; M344-C443 HydrophobicContact CE-CB 4.19Å
345A98.8Very high98.5Very high2 Ų249.9 Ų49.92%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-128149.7-178.900000111A347 V369 K371 A431 P432 Q433A345-A347 PolarHBondContact O-N 3.38Å; A345-V369 HydrophobicContact CB-CB 3.76Å; A345-V369 HydrophobicContact CB-CG1 4.19Å; A345-V369 HydrophobicContact CB-CG2 3.84Å; A345-K371 HydrophobicContact CB-CD 4.36Å; A345-A431 PolarHBondContact N-O 3.32Å; A345-P432 CarbonylContact O-C 3.55Å; A345-P432 WeakPolarHBondContact O-CA 3.31Å; A345-Q433 PolarHBondContact O-N 3.06Å
346H98.7Very high98.6Very high85 Ų8547.8 Ų47.839%0.39423%0.231SC..EExtended strand (participates in β ladder)trans-78.1112.1178.1-51.9-55.6000111.1H356 M436H346-H356 PolarHBondContact O-NE2 3.34Å; H346-M436 PolarHBondContact CE1-SD 3.42Å
347A98.8Very high98.6Very high4 Ų444 Ų443%0.03322%0.218CC..PPolyproline II helixtrans-64150.2164.600000110.2A345 H349 H356 P362 F364 P432 Q433 L434A345-A347 PolarHBondContact O-N 3.38Å; A347-H349 PolarHBondContact O-N 3.19Å; A347-H356 PolarHBondContact O-CE1 3.22Å; A347-H356 PolarHBondContact O-NE2 2.94Å; A347-P362 CarbonylContact C-O 3.53Å; A347-P362 VanDerWaalsContact CA-O 3.31Å; A347-P362 WeakPolarHBondContact CA-O 3.06Å; A347-F364 HydrophobicContact CB-CD1 4.06Å; A347-F364 HydrophobicContact CB-CE1 3.66Å; A347-F364 HydrophobicContact CB-CZ 4.31Å; A347-P432 HydrophobicContact CB-CB 3.94Å; A347-Q433 WeakPolarHBondContact CB-O 3.38Å; A347-Q433 PolarHBondContact N-O 2.69Å; A347-L434 HydrophobicContact CB-CD2 3.87Å; A347-L434 HydrophobicContact CB-CG 4.24Å; A347-L434 WeakPolarHBondContact O-CD2 3.47Å
348V98.6Very high98.6Very high37 Ų3750.4 Ų50.422%0.22425%0.249CC..PPolyproline II helixtrans-62.1122.7172.464.80000109.6T353 H356 R361 P362V348-T353 HydrophobicContact CG2-CG2 4.24Å; V348-H356 HydrophobicContact CG2-CB 4.31Å; V348-R361 HydrophobicContact CB-CB 3.99Å; V348-R361 HydrophobicContact CB-CG 4.31Å; V348-R361 HydrophobicContact CG1-CB 4.19Å; V348-R361 HydrophobicContact CG2-CB 4.33Å; V348-R361 HydrophobicContact CG2-CG 4.15Å; V348-P362 PolarHBondContact N-O 3.29Å
349H98.7Very high98.6Very high56 Ų5656 Ų5626%0.25928%0.279SS..PPolyproline II helixtrans-83.8122.1-179.1-167.7-63.7000109.8A347 N351 Y352 T353 L434A347-H349 PolarHBondContact O-N 3.19Å; H349-N351 PolarHBondContact ND1-N 3.27Å; H349-N351 PolarHBondContact O-N 3.48Å; H349-Y352 HydrophobicContact CB-CD2 4.45Å; H349-Y352 AromaticContact CE1-CD2 3.59Å; H349-Y352 AromaticContact CE1-CE2 3.86Å; H349-Y352 AromaticContact CG-CD2 3.74Å; H349-Y352 AromaticContact ND1-CD2 3.37Å; H349-Y352 WeakPolarHBondContact ND1-CD2 3.4Å; H349-Y352 CarbonylContact O-C 3.51Å; H349-Y352 PolarHBondContact O-N 3.45Å; H349-T353 WeakPolarHBondContact O-CG2 3.24Å; H349-T353 PolarHBondContact O-N 3.15Å; H349-T353 VanDerWaalsContact O-N 3.1Å; H349-L434 HydrophobicContact CB-CD2 3.91Å
350P98.4Very high98.6Very high92 Ų9258.2 Ų58.260%0.59729%0.289SS*.THydrogen-bonded Turntrans-62.7-28.9-17423.9-34000113.6
351N98.7Very high98.5Very high125 Ų12563.3 Ų63.367%0.66831%0.308SS*.THydrogen-bonded Turntrans-90.3-2.6176.8-52.1-18.4000114.6H349H349-N351 PolarHBondContact ND1-N 3.27Å; H349-N351 PolarHBondContact O-N 3.48Å
352Y98.4Very high98.5Very high131 Ų13163.3 Ų63.351%0.51431%0.308SS..  trans-143.940.6-177.2-57.8-76.2000111H349 E354 K355H349-Y352 HydrophobicContact CB-CD2 4.45Å; H349-Y352 AromaticContact CE1-CD2 3.59Å; H349-Y352 AromaticContact CE1-CE2 3.86Å; H349-Y352 AromaticContact CG-CD2 3.74Å; H349-Y352 AromaticContact ND1-CD2 3.37Å; H349-Y352 WeakPolarHBondContact ND1-CD2 3.4Å; H349-Y352 CarbonylContact O-C 3.51Å; H349-Y352 PolarHBondContact O-N 3.45Å; Y352-E354 VanDerWaalsContact CA-OE2 3.29Å; Y352-E354 WeakPolarHBondContact CA-OE2 3.28Å; Y352-E354 PolarHBondContact O-N 2.74Å; Y352-E354 VanDerWaalsContact O-N 3.11Å; Y352-K355 WeakPolarHBondContact O-CB 3.45Å; Y352-K355 PolarHBondContact O-N 2.86Å; Y352-K355 VanDerWaalsContact O-N 3.07Å
353T97.8Very high98.5Very high60 Ų6065.1 Ų65.137%0.36832%0.323SS..G310 helixtrans-59.9-24.4-172.759.10000113.8V348 H349 K355 H356V348-T353 HydrophobicContact CG2-CG2 4.24Å; H349-T353 WeakPolarHBondContact O-CG2 3.24Å; H349-T353 PolarHBondContact O-N 3.15Å; H349-T353 VanDerWaalsContact O-N 3.1Å; T353-K355 PolarHBondContact O-N 2.77Å; T353-H356 PolarHBondContact O-N 2.88Å
354E98.1Very high98.5Very high102 Ų10266.4 Ų66.448%0.47733%0.328SS..G310 helixtrans-66.6-16.7177.973.1-70.9166.800113.6Y352 R405Y352-E354 VanDerWaalsContact CA-OE2 3.29Å; Y352-E354 WeakPolarHBondContact CA-OE2 3.28Å; Y352-E354 PolarHBondContact O-N 2.74Å; Y352-E354 VanDerWaalsContact O-N 3.11Å; E354-R405 WeakPolarHBondContact O-CD 3.49Å
355K98.2Very high98.5Very high137 Ų13769 Ų6960%0.59634%0.34SS*.G310 helixtrans-75.6-23.2177.4-62.1-61.1-177.2-178.50113.4Y352 T353 R405Y352-K355 WeakPolarHBondContact O-CB 3.45Å; Y352-K355 PolarHBondContact O-N 2.86Å; Y352-K355 VanDerWaalsContact O-N 3.07Å; T353-K355 PolarHBondContact O-N 2.77Å; K355-R405 WeakPolarHBondContact O-CD 3.37Å
356H98.5Very high98.5Very high25 Ų2575.2 Ų75.212%0.11637%0.367CS..SBendtrans-90.5150.3176.6-78.369.7000111.6H346 A347 V348 T353 R361H346-H356 PolarHBondContact O-NE2 3.34Å; A347-H356 PolarHBondContact O-CE1 3.22Å; A347-H356 PolarHBondContact O-NE2 2.94Å; V348-H356 HydrophobicContact CG2-CB 4.31Å; T353-H356 PolarHBondContact O-N 2.88Å; H356-R361 HydrophobicContact CB-CG 4.04Å
357E98.6Very high98.4Very high38 Ų3871.2 Ų71.218%0.17835%0.348CS..  trans-63.5142.3165.1-163-72.2152.400108.6N359 H360 R361 R405E357-N359 VanDerWaalsContact C-N 3.32Å; E357-N359 PolarHBondContact O-N 3.36Å; E357-N359 WeakPolarHBondContact OE2-CA 3.43Å; E357-N359 WeakPolarHBondContact OE2-CB 3.26Å; E357-N359 PolarHBondContact OE2-N 2.95Å; E357-H360 HydrophobicContact CB-CB 4.35Å; E357-H360 PolarHBondContact O-N 3.46Å; E357-H360 IonicContact OE2-CE1 3.95Å; E357-H360 IonicContact OE2-CG 3.67Å; E357-H360 PolarHBondContact OE2-N 3.31Å; E357-H360 IonicContact OE2-ND1 3.47Å; E357-H360 PolarHBondContact OE2-ND1 3.12Å; E357-R361 VanDerWaalsContact O-CG 3.28Å; E357-R361 WeakPolarHBondContact O-CG 3.41Å; E357-R405 HydrophobicContact CB-CG 4.06Å
358E98.1Very high98.4Very high137 Ų13771.1 Ų71.164%0.6435%0.347SS*.SBendtrans-67.7-27.7-16563.2-177-18000114.8R361E358-R361 WeakPolarHBondContact O-CD 3.39Å
359N98.5Very high98.5Very high125 Ų12569.3 Ų69.367%0.66834%0.336SS*.SBendtrans-98.2-13.5179.9-62.9-58.2000113.2E357E357-N359 VanDerWaalsContact C-N 3.32Å; E357-N359 PolarHBondContact O-N 3.36Å; E357-N359 WeakPolarHBondContact OE2-CA 3.43Å; E357-N359 WeakPolarHBondContact OE2-CB 3.26Å; E357-N359 PolarHBondContact OE2-N 2.95Å
360H98.6Very high98.5Very high46 Ų4666.7 Ų66.721%0.21332%0.324CS..  trans-115.870.5-176.1-6286.1000111.1E357 P362 M403E357-H360 HydrophobicContact CB-CB 4.35Å; E357-H360 PolarHBondContact O-N 3.46Å; E357-H360 IonicContact OE2-CE1 3.95Å; E357-H360 IonicContact OE2-CG 3.67Å; E357-H360 PolarHBondContact OE2-N 3.31Å; E357-H360 IonicContact OE2-ND1 3.47Å; E357-H360 PolarHBondContact OE2-ND1 3.12Å; H360-P362 WeakPolarHBondContact O-CD 3.19Å; H360-M403 HydrophobicContact CB-CB 4.39Å
361R98.5Very high98.5Very high109 Ų10962.4 Ų62.441%0.41130%0.296SS..  trans-118.583.9-173.1-69179.4168.7169.9-3.2111.9V348 H356 E357 E358 A363V348-R361 HydrophobicContact CB-CB 3.99Å; V348-R361 HydrophobicContact CB-CG 4.31Å; V348-R361 HydrophobicContact CG1-CB 4.19Å; V348-R361 HydrophobicContact CG2-CB 4.33Å; V348-R361 HydrophobicContact CG2-CG 4.15Å; H356-R361 HydrophobicContact CB-CG 4.04Å; E357-R361 VanDerWaalsContact O-CG 3.28Å; E357-R361 WeakPolarHBondContact O-CG 3.41Å; E358-R361 WeakPolarHBondContact O-CD 3.39Å; R361-A363 PolarHBondContact O-N 2.96Å
362P98.7Very high98.5Very high0 Ų058.8 Ų58.80%027%0.274CS..  trans-57.7130177.4-24.434.2000111.6A347 V348 H360 V369 V402 P432A347-P362 CarbonylContact C-O 3.53Å; A347-P362 VanDerWaalsContact CA-O 3.31Å; A347-P362 WeakPolarHBondContact CA-O 3.06Å; V348-P362 PolarHBondContact N-O 3.29Å; H360-P362 WeakPolarHBondContact O-CD 3.19Å; P362-V369 HydrophobicContact CB-CG1 4.21Å; P362-V369 HydrophobicContact CB-CG2 3.66Å; P362-V369 HydrophobicContact CG-CG1 3.63Å; P362-V369 HydrophobicContact CG-CG2 4.02Å; P362-V402 HydrophobicContact CG-CB 3.74Å; P362-V402 HydrophobicContact CG-CG2 3.91Å; P362-P432 HydrophobicContact CB-CB 4.13Å
363A98.5Very high98.5Very high37 Ų3753.3 Ų53.331%0.30625%0.254SS..  trans-108.2154.8176.400000110.7R361 K366 Q400 P432R361-A363 PolarHBondContact O-N 2.96Å; A363-K366 HydrophobicContact CB-CB 4.44Å; A363-K366 HydrophobicContact CB-CG 3.88Å; A363-Q400 PolarHBondContact O-NE2 2.81Å; A363-P432 WeakPolarHBondContact O-CG 3.5Å
364F98.8Very high98.5Very high43 Ų4355.6 Ų55.619%0.18927%0.272CS..THydrogen-bonded Turntrans-59.5147.4169.2-68.6-27.3000111.5F255 A347 K366 P432 L434 M442 C444F255-F364 HydrophobicContact CD1-CD2 4.08Å; F255-F364 HydrophobicContact CD1-CE2 4.13Å; F255-F364 AromaticContact CE1-CD2 3.55Å; F255-F364 HydrophobicContact CE1-CD2 3.55Å; F255-F364 AromaticContact CE1-CE2 3.88Å; F255-F364 HydrophobicContact CE1-CE2 3.88Å; A347-F364 HydrophobicContact CB-CD1 4.06Å; A347-F364 HydrophobicContact CB-CE1 3.66Å; A347-F364 HydrophobicContact CB-CZ 4.31Å; F364-K366 PolarHBondContact O-N 2.92Å; F364-P432 HydrophobicContact CD1-CB 4.42Å; F364-P432 HydrophobicContact CD1-CG 4.43Å; F364-P432 WeakPolarHBondContact CE1-O 3.14Å; F364-L434 HydrophobicContact CE1-CG 4.43Å; F364-L434 HydrophobicContact CE2-CD1 4.1Å; F364-L434 HydrophobicContact CE2-CG 4.44Å; F364-L434 HydrophobicContact CZ-CB 4.48Å; F364-L434 HydrophobicContact CZ-CD1 3.86Å; F364-L434 HydrophobicContact CZ-CG 3.72Å; F364-M442 HydrophobicContact CE2-CE 3.96Å; F364-M442 HydrophobicContact CZ-CG 4.37Å; F364-C444 HydrophobicContact CB-CB 3.7Å; F364-C444 HydrophobicContact CD1-CB 3.94Å; F364-C444 HydrophobicContact CG-CB 3.88Å
365H98.4Very high98.5Very high58 Ų5857.4 Ų57.427%0.26929%0.285SS..THydrogen-bonded Turntrans66.1-4.2178.2-49.8-71.7000117.7E254 G367 C444 S446 Q450E254-H365 PolarHBondContact O-CE1 2.9Å; E254-H365 VanDerWaalsContact O-CE1 3.29Å; E254-H365 IonicContact OE2-NE2 2.95Å; H365-G367 VanDerWaalsContact C-N 3.34Å; H365-G367 PolarHBondContact O-N 3.37Å; H365-C444 VanDerWaalsContact CE1-CB 3.49Å; H365-C444 WeakPolarHBondContact CE1-CB 3.29Å; H365-C444 PolarHBondContact N-SG 3.49Å; H365-S446 VanDerWaalsContact CA-OG 3.26Å; H365-S446 WeakPolarHBondContact CA-OG 3.24Å; H365-S446 PolarHBondContact ND1-OG 2.88Å; H365-Q450 PolarHBondContact O-NE2 2.92Å
366K98.4Very high98.5Very high133 Ų13355.5 Ų55.558%0.57828%0.279SS*.SBendtrans-89.36.9-176.9-64.1-58.9-175.8177.90114.7A363 F364 Q400A363-K366 HydrophobicContact CB-CB 4.44Å; A363-K366 HydrophobicContact CB-CG 3.88Å; F364-K366 PolarHBondContact O-N 2.92Å; K366-Q400 HydrophobicContact CB-CG 3.95Å; K366-Q400 VanDerWaalsContact CB-OE1 3.31Å; K366-Q400 WeakPolarHBondContact O-CG 3.49Å
367G98.2Very high98.5Very high1 Ų158.7 Ų58.71%0.0129%0.29CS..  trans105.8170.2173.200000114.7H365 P398 Q400H365-G367 VanDerWaalsContact C-N 3.34Å; H365-G367 PolarHBondContact O-N 3.37Å; G367-P398 VanDerWaalsContact CA-O 3.32Å; G367-P398 WeakPolarHBondContact CA-O 3.48Å; G367-Q400 PolarHBondContact O-NE2 3.43Å
368P98.8Very high98.5Very high1 Ų157.7 Ų57.71%0.00628%0.284CS..  trans-57.3150.6172.6-23.934.9000112V397 P398 L399 Q400 Q450 L454P368-V397 HydrophobicContact CG-CG1 4.31Å; P368-P398 WeakPolarHBondContact CD-O 3.41Å; P368-L399 HydrophobicContact CB-CD2 4Å; P368-L399 HydrophobicContact CG-CD2 4.36Å; P368-L399 CarbonylContact O-C 3.44Å; P368-L399 VanDerWaalsContact O-CA 3.31Å; P368-L399 WeakPolarHBondContact O-CA 3.37Å; P368-Q400 PolarHBondContact O-N 3.41Å; P368-Q450 HydrophobicContact CG-CB 4.38Å; P368-L454 HydrophobicContact CB-CD2 4.21Å; P368-L454 HydrophobicContact CG-CD2 4.08Å
369V98.9Very high98.5Very high0 Ų051.6 Ų51.60%026%0.257CS..EExtended strand (participates in β ladder)trans-107.9123.1-172.2-1700000109.1A345 P362 Q400 V402 I429 G430 P432A345-V369 HydrophobicContact CB-CB 3.76Å; A345-V369 HydrophobicContact CB-CG1 4.19Å; A345-V369 HydrophobicContact CB-CG2 3.84Å; P362-V369 HydrophobicContact CB-CG1 4.21Å; P362-V369 HydrophobicContact CB-CG2 3.66Å; P362-V369 HydrophobicContact CG-CG1 3.63Å; P362-V369 HydrophobicContact CG-CG2 4.02Å; V369-Q400 CarbonylContact C-O 3.53Å; V369-Q400 WeakPolarHBondContact CA-O 3.49Å; V369-Q400 HydrophobicContact CG1-CB 4.41Å; V369-Q400 HydrophobicContact CG2-CB 4.25Å; V369-V402 HydrophobicContact CG1-CB 3.55Å; V369-V402 HydrophobicContact CG1-CG1 3.49Å; V369-V402 VanDerWaalsContact CG1-CG1 3.49Å; V369-I429 CarbonylContact O-C 3.53Å; V369-I429 WeakPolarHBondContact O-CA 3.42Å; V369-I429 WeakPolarHBondContact O-CB 3.48Å; V369-G430 WeakPolarHBondContact CB-O 3.49Å; V369-G430 WeakPolarHBondContact CG2-O 3.2Å; V369-G430 PolarHBondContact N-O 3.49Å; V369-G430 PolarHBondContact O-N 2.93Å; V369-P432 HydrophobicContact CG2-CB 4.13Å; V369-P432 HydrophobicContact CG2-CG 4.38Å
370I98.9Very high98.5Very high0 Ų046 Ų460%023%0.228CC..EExtended strand (participates in β ladder)trans-79.4126.4167.8-53.9-178.5000108.5F372 T380 A385 R389 L399 Q400 V402 V427 I429I370-F372 HydrophobicContact CB-CE2 3.84Å; I370-F372 HydrophobicContact CB-CZ 4.39Å; I370-F372 HydrophobicContact CG2-CD2 4.11Å; I370-F372 HydrophobicContact CG2-CE1 4.42Å; I370-F372 HydrophobicContact CG2-CE2 3.43Å; I370-F372 VanDerWaalsContact CG2-CE2 3.43Å; I370-F372 HydrophobicContact CG2-CZ 3.62Å; I370-T380 HydrophobicContact CG2-CG2 3.65Å; I370-A385 HydrophobicContact CD1-CB 4.35Å; I370-A385 HydrophobicContact CG2-CB 4.37Å; I370-R389 HydrophobicContact CD1-CG 3.98Å; I370-L399 HydrophobicContact CD1-CD1 3.95Å; I370-L399 HydrophobicContact CG1-CD1 4.31Å; I370-Q400 PolarHBondContact N-O 3.31Å; I370-V402 PolarHBondContact O-N 2.82Å; I370-V427 HydrophobicContact CG2-CG2 4.23Å; I370-I429 HydrophobicContact CG1-CG2 4.3Å
371K98.8Very high98.5Very high2 Ų246.7 Ų46.71%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-98.8118.5-175-52.3-170.6-82-169.50110.2D343 M344 A345 Y378 T380 V402 D428D343-K371 VanDerWaalsContact C-NZ 3.25Å; D343-K371 WeakPolarHBondContact O-CE 3.32Å; D343-K371 PolarHBondContact O-NZ 3.07Å; D343-K371 IonicContact OD2-NZ 3.08Å; D343-K371 PolarHBondContact OD2-NZ 2.92Å; M344-K371 PolarHBondContact O-NZ 3.48Å; A345-K371 HydrophobicContact CB-CD 4.36Å; K371-Y378 HydrophobicContact CB-CD1 4Å; K371-Y378 HydrophobicContact CB-CD2 3.62Å; K371-Y378 HydrophobicContact CB-CE1 4.22Å; K371-Y378 HydrophobicContact CB-CE2 3.86Å; K371-Y378 HydrophobicContact CB-CG 3.71Å; K371-Y378 HydrophobicContact CD-CD1 4.4Å; K371-Y378 HydrophobicContact CD-CE1 4.01Å; K371-Y378 WeakPolarHBondContact O-CB 3.23Å; K371-T380 WeakPolarHBondContact O-CB 3.25Å; K371-T380 PolarHBondContact O-OG1 2.85Å; K371-V402 HydrophobicContact CB-CG1 4.01Å; K371-V402 HydrophobicContact CG-CG1 3.76Å; K371-D428 HydrophobicContact CB-CB 4.03Å; K371-D428 PolarHBondContact N-O 3.08Å
372F98.8Very high98.5Very high49 Ų4945.1 Ų45.122%0.21525%0.245CC..  trans-110.2134.3179.6-67.4-89.8000111.5I370 T380 A385 D401 V402I370-F372 HydrophobicContact CB-CE2 3.84Å; I370-F372 HydrophobicContact CB-CZ 4.39Å; I370-F372 HydrophobicContact CG2-CD2 4.11Å; I370-F372 HydrophobicContact CG2-CE1 4.42Å; I370-F372 HydrophobicContact CG2-CE2 3.43Å; I370-F372 VanDerWaalsContact CG2-CE2 3.43Å; I370-F372 HydrophobicContact CG2-CZ 3.62Å; F372-T380 HydrophobicContact CD1-CG2 3.63Å; F372-T380 HydrophobicContact CE1-CG2 3.41Å; F372-T380 VanDerWaalsContact CE1-CG2 3.41Å; F372-T380 HydrophobicContact CG-CG2 4.3Å; F372-T380 HydrophobicContact CZ-CG2 3.9Å; F372-A385 HydrophobicContact CE1-CB 4.02Å; F372-A385 HydrophobicContact CZ-CB 3.78Å; F372-D401 HydrophobicContact CD2-CB 4.49Å; F372-D401 HydrophobicContact CE2-CB 4.25Å; F372-V402 PolarHBondContact N-O 3.22Å
373N98.6Very high98.5Very high17 Ų1747.8 Ų47.89%0.09126%0.261CS..  trans-159.6110.3167.7-172.2-64.7000110.1N375 Q376 R377 Y378 C410N373-N375 PolarHBondContact O-N 2.94Å; N373-N375 WeakPolarHBondContact OD1-CA 3.41Å; N373-N375 VanDerWaalsContact OD1-CB 3.27Å; N373-N375 WeakPolarHBondContact OD1-CB 3.35Å; N373-N375 PolarHBondContact OD1-N 2.91Å; N373-Q376 PolarHBondContact O-N 2.88Å; N373-R377 HydrophobicContact CB-CB 3.95Å; N373-R377 HydrophobicContact CB-CG 4.49Å; N373-Y378 HydrophobicContact CB-CD2 3.6Å; N373-Y378 HydrophobicContact CB-CE2 4.24Å; N373-Y378 HydrophobicContact CB-CG 4.34Å; N373-C410 PolarHBondContact ND2-SG 2.82Å; N373-C410 VanDerWaalsContact ND2-SG 3.4Å
374S98Very high98.5Very high107 Ų10746.2 Ų46.275%0.74825%0.248SC*.THydrogen-bonded Turntrans-65.9-19.7-176.3-55.80000114.2Q376S374-Q376 PolarHBondContact O-N 2.97Å; S374-Q376 VanDerWaalsContact O-N 3.15Å; S374-Q376 PolarHBondContact O-NE2 3.03Å
375N97.7Very high98.5Very high140 Ų14044.3 Ų44.375%0.74924%0.241SC*.THydrogen-bonded Turntrans-77.714.2171.7-59.2-31.7000112.5N373 R377N373-N375 PolarHBondContact O-N 2.94Å; N373-N375 WeakPolarHBondContact OD1-CA 3.41Å; N373-N375 VanDerWaalsContact OD1-CB 3.27Å; N373-N375 WeakPolarHBondContact OD1-CB 3.35Å; N373-N375 PolarHBondContact OD1-N 2.91Å; N375-R377 PolarHBondContact O-N 2.97Å
376Q97.6Very high98.5Very high98 Ų9845.1 Ų45.146%0.45825%0.252SS..THydrogen-bonded Turntrans59.134.4175.5-50.3-55.9-61.500113N373 S374 P416N373-Q376 PolarHBondContact O-N 2.88Å; S374-Q376 PolarHBondContact O-N 2.97Å; S374-Q376 VanDerWaalsContact O-N 3.15Å; S374-Q376 PolarHBondContact O-NE2 3.03Å; Q376-P416 WeakPolarHBondContact O-CB 3.37Å; Q376-P416 WeakPolarHBondContact O-CG 3.31Å
377R98.3Very high98.5Very high92 Ų9239 Ų3935%0.34723%0.225SC..THydrogen-bonded Turntrans-72.2-23.8162-53.9-56.2-65.5159.8-6.3111.5N373 N375 C410 G411 T412N373-R377 HydrophobicContact CB-CB 3.95Å; N373-R377 HydrophobicContact CB-CG 4.49Å; N375-R377 PolarHBondContact O-N 2.97Å; R377-C410 WeakPolarHBondContact CB-SG 3.32Å; R377-C410 PolarHBondContact NE-O 2.88Å; R377-C410 PolarHBondContact NH2-O 2.93Å; R377-G411 VanDerWaalsContact NH2-C 3.34Å; R377-T412 VanDerWaalsContact CZ-CB 3.47Å; R377-T412 WeakPolarHBondContact O-CA 3.49Å
378Y98.7Very high98.5Very high17 Ų1739 Ų397%0.06723%0.225CC..SBendtrans-130.6144.3168.8-54.9-51.8000107.4K371 N373 T380 T413 D428K371-Y378 HydrophobicContact CB-CD1 4Å; K371-Y378 HydrophobicContact CB-CD2 3.62Å; K371-Y378 HydrophobicContact CB-CE1 4.22Å; K371-Y378 HydrophobicContact CB-CE2 3.86Å; K371-Y378 HydrophobicContact CB-CG 3.71Å; K371-Y378 HydrophobicContact CD-CD1 4.4Å; K371-Y378 HydrophobicContact CD-CE1 4.01Å; K371-Y378 WeakPolarHBondContact O-CB 3.23Å; N373-Y378 HydrophobicContact CB-CD2 3.6Å; N373-Y378 HydrophobicContact CB-CE2 4.24Å; N373-Y378 HydrophobicContact CB-CG 4.34Å; Y378-T380 VanDerWaalsContact C-N 3.26Å; Y378-T380 PolarHBondContact O-N 2.86Å; Y378-T413 HydrophobicContact CD1-CG2 3.74Å; Y378-T413 HydrophobicContact CE1-CG2 3.66Å; Y378-D428 WeakPolarHBondContact CA-OD2 3.45Å; Y378-D428 HydrophobicContact CD1-CB 4.12Å; Y378-D428 HydrophobicContact CG-CB 4.24Å
379A98.6Very high98.5Very high8 Ų843.2 Ų43.27%0.06624%0.241CC..  trans-82.6-2.6-176.600000113.7T381 P416 A419 V426 D428A379-T381 PolarHBondContact O-N 2.85Å; A379-P416 HydrophobicContact CB-CG 4.41Å; A379-A419 HydrophobicContact CB-CB 4.13Å; A379-V426 CarbonylContact C-O 3.52Å; A379-V426 HydrophobicContact CB-CB 3.72Å; A379-V426 HydrophobicContact CB-CG1 4.08Å; A379-V426 VanDerWaalsContact O-O 3.09Å; A379-D428 PolarHBondContact N-OD2 3Å
380T98.8Very high98.5Very high8 Ų846.8 Ų46.85%0.04926%0.258CS..  trans-59129.5-177.5-55.70000112.4I370 K371 F372 Y378 A385 V427 D428I370-T380 HydrophobicContact CG2-CG2 3.65Å; K371-T380 WeakPolarHBondContact O-CB 3.25Å; K371-T380 PolarHBondContact O-OG1 2.85Å; F372-T380 HydrophobicContact CD1-CG2 3.63Å; F372-T380 HydrophobicContact CE1-CG2 3.41Å; F372-T380 VanDerWaalsContact CE1-CG2 3.41Å; F372-T380 HydrophobicContact CG-CG2 4.3Å; F372-T380 HydrophobicContact CZ-CG2 3.9Å; Y378-T380 VanDerWaalsContact C-N 3.26Å; Y378-T380 PolarHBondContact O-N 2.86Å; T380-A385 HydrophobicContact CG2-CB 4.04Å; T380-V427 HydrophobicContact CG2-CG2 4.05Å; T380-D428 PolarHBondContact OG1-N 3.47Å; T380-D428 PolarHBondContact OG1-O 3.17Å
381T98.6Very high98.5Very high61 Ų6146.8 Ų46.837%0.37426%0.258SS..  trans-122.4173.6169.865.70000110A379 V383 T384 A385A379-T381 PolarHBondContact O-N 2.85Å; T381-V383 VanDerWaalsContact C-N 3.26Å; T381-V383 PolarHBondContact O-N 3.38Å; T381-V383 PolarHBondContact OG1-N 3.27Å; T381-T384 PolarHBondContact N-OG1 3.23Å; T381-T384 PolarHBondContact O-N 2.95Å; T381-T384 PolarHBondContact O-OG1 3.45Å; T381-T384 PolarHBondContact OG1-N 3.09Å; T381-T384 PolarHBondContact OG1-OG1 3.03Å; T381-A385 VanDerWaalsContact O-CB 3.26Å; T381-A385 WeakPolarHBondContact O-CB 3.2Å; T381-A385 PolarHBondContact O-N 3.5Å
382A98.3Very high98.5Very high75 Ų7546.8 Ų46.862%0.6226%0.258SS*.Hα-helixtrans-57.2-41.5173.600000112C386A382-C386 WeakPolarHBondContact O-CB 3.48Å; A382-C386 PolarHBondContact O-N 3.38Å; A382-C386 PolarHBondContact O-SG 3.13Å
383V98.4Very high98.5Very high56 Ų5648.8 Ų48.834%0.33928%0.278SS..Hα-helixtrans-62.6-49.6178.7177.80000110.7T381 C386 V387 L469 V471T381-V383 VanDerWaalsContact C-N 3.26Å; T381-V383 PolarHBondContact O-N 3.38Å; T381-V383 PolarHBondContact OG1-N 3.27Å; V383-C386 PolarHBondContact O-N 2.95Å; V383-V387 PolarHBondContact O-N 3.34Å; V383-L469 HydrophobicContact CG1-CD1 4.49Å; V383-L469 HydrophobicContact CG1-CD2 3.87Å; V383-V471 HydrophobicContact CG1-CG1 4.22Å; V383-V471 HydrophobicContact CG1-CG2 4.07Å; V383-V471 HydrophobicContact CG2-CB 4.36Å; V383-V471 HydrophobicContact CG2-CG1 4.02Å
384T98.6Very high98.5Very high5 Ų553.9 Ų53.93%0.03130%0.296CS..Hα-helixtrans-72.4-34.6-175.763.80000112.2F338 T381 V387 V388 P425 V426F338-T384 HydrophobicContact CE2-CG2 3.77Å; F338-T384 HydrophobicContact CZ-CG2 4.31Å; F338-T384 WeakPolarHBondContact CZ-O 3.29Å; T381-T384 PolarHBondContact N-OG1 3.23Å; T381-T384 PolarHBondContact O-N 2.95Å; T381-T384 PolarHBondContact O-OG1 3.45Å; T381-T384 PolarHBondContact OG1-N 3.09Å; T381-T384 PolarHBondContact OG1-OG1 3.03Å; T384-V387 PolarHBondContact O-N 3.26Å; T384-V388 PolarHBondContact O-N 2.91Å; T384-P425 HydrophobicContact CG2-CB 3.77Å; T384-V426 WeakPolarHBondContact CB-O 3.29Å; T384-V426 WeakPolarHBondContact CG2-O 3.38Å; T384-V426 PolarHBondContact OG1-O 2.75Å
385A98.8Very high98.5Very high3 Ų350.4 Ų50.43%0.02527%0.271CS..Hα-helixtrans-63.3-42.4171.900000112.6I370 F372 T380 T381 V387 V388 R389I370-A385 HydrophobicContact CD1-CB 4.35Å; I370-A385 HydrophobicContact CG2-CB 4.37Å; F372-A385 HydrophobicContact CE1-CB 4.02Å; F372-A385 HydrophobicContact CZ-CB 3.78Å; T380-A385 HydrophobicContact CG2-CB 4.04Å; T381-A385 VanDerWaalsContact O-CB 3.26Å; T381-A385 WeakPolarHBondContact O-CB 3.2Å; T381-A385 PolarHBondContact O-N 3.5Å; A385-V387 VanDerWaalsContact C-N 3.32Å; A385-V387 PolarHBondContact O-N 2.79Å; A385-V388 PolarHBondContact O-N 3.4Å; A385-R389 WeakPolarHBondContact O-CG 3.27Å; A385-R389 PolarHBondContact O-N 3.19Å
386C98.4Very high98.5Very high75 Ų7545.6 Ų45.651%0.50725%0.254SS..Hα-helixtrans-60-39.4179.2-78.70000112.8A382 V383 V388 R389 E390A382-C386 WeakPolarHBondContact O-CB 3.48Å; A382-C386 PolarHBondContact O-N 3.38Å; A382-C386 PolarHBondContact O-SG 3.13Å; V383-C386 PolarHBondContact O-N 2.95Å; C386-V388 PolarHBondContact O-N 2.65Å; C386-R389 PolarHBondContact O-N 3.23Å; C386-E390 WeakPolarHBondContact O-CB 3.44Å; C386-E390 PolarHBondContact O-N 3.32Å
387V98.7Very high98.6Very high3 Ų341.5 Ų41.52%0.01824%0.236CC..Hα-helixtrans-59.1-47.6175.7173.30000110.9F338 V383 T384 A385 E390 V391 F462 I465 L469F338-V387 HydrophobicContact CD2-CG1 4.44Å; F338-V387 HydrophobicContact CE1-CG1 4.42Å; F338-V387 HydrophobicContact CE2-CB 3.95Å; F338-V387 HydrophobicContact CE2-CG1 4.09Å; F338-V387 HydrophobicContact CE2-CG2 4.09Å; F338-V387 HydrophobicContact CZ-CB 4.03Å; F338-V387 HydrophobicContact CZ-CG1 4.09Å; V383-V387 PolarHBondContact O-N 3.34Å; T384-V387 PolarHBondContact O-N 3.26Å; A385-V387 VanDerWaalsContact C-N 3.32Å; A385-V387 PolarHBondContact O-N 2.79Å; V387-E390 PolarHBondContact O-N 2.92Å; V387-V391 WeakPolarHBondContact O-CG2 3.2Å; V387-V391 PolarHBondContact O-N 3.45Å; V387-F462 HydrophobicContact CG1-CD2 3.89Å; V387-F462 HydrophobicContact CG1-CE2 4.18Å; V387-I465 HydrophobicContact CG1-CG2 4.21Å; V387-L469 HydrophobicContact CG2-CD2 4.14Å
388V98.7Very high98.5Very high1 Ų140 Ų401%0.00624%0.238CC..Hα-helixtrans-67.6-40179.5-1790000111.7F338 T384 A385 C386 E390 V391 A392 L399 V427 L454F338-V388 HydrophobicContact CE1-CG2 4.32Å; F338-V388 HydrophobicContact CZ-CG2 4.33Å; T384-V388 PolarHBondContact O-N 2.91Å; A385-V388 PolarHBondContact O-N 3.4Å; C386-V388 PolarHBondContact O-N 2.65Å; V388-E390 VanDerWaalsContact C-N 3.3Å; V388-E390 PolarHBondContact O-N 3.19Å; V388-V391 PolarHBondContact O-N 3.3Å; V388-A392 VanDerWaalsContact O-CB 3.27Å; V388-A392 WeakPolarHBondContact O-CB 3.5Å; V388-A392 PolarHBondContact O-N 2.98Å; V388-L399 HydrophobicContact CG1-CD1 4Å; V388-V427 HydrophobicContact CG2-CB 4.19Å; V388-V427 HydrophobicContact CG2-CG1 3.44Å; V388-V427 VanDerWaalsContact CG2-CG1 3.44Å; V388-V427 HydrophobicContact CG2-CG2 3.99Å; V388-L454 HydrophobicContact CG1-CD1 4.31Å; V388-L454 HydrophobicContact CG1-CD2 4.26Å
389R98.8Very high98.6Very high90 Ų9041 Ų4134%0.3424%0.244SC..Hα-helixtrans-61.3-39.3175.9-70.1-177.6-166.1-73.95.2111.7I370 A385 C386 A392 S393 L399 D401I370-R389 HydrophobicContact CD1-CG 3.98Å; A385-R389 WeakPolarHBondContact O-CG 3.27Å; A385-R389 PolarHBondContact O-N 3.19Å; C386-R389 PolarHBondContact O-N 3.23Å; R389-A392 PolarHBondContact O-N 3.4Å; R389-S393 VanDerWaalsContact O-CB 3.26Å; R389-S393 WeakPolarHBondContact O-CB 3.34Å; R389-S393 PolarHBondContact O-N 3.37Å; R389-L399 HydrophobicContact CG-CD1 4.1Å; R389-D401 IonicContact CZ-OD1 2.86Å; R389-D401 IonicContact CZ-OD2 2.76Å; R389-D401 IonicContact NH1-OD1 2.65Å; R389-D401 PolarHBondContact NH1-OD1 3.17Å; R389-D401 IonicContact NH1-OD2 3.33Å; R389-D401 IonicContact NH2-OD1 3.53Å; R389-D401 PolarHBondContact NH2-OD1 3.02Å; R389-D401 IonicContact NH2-OD2 3.69Å; R389-D401 PolarHBondContact NH2-OD2 3.26Å
390E98.8Very high98.6Very high75 Ų7541.9 Ų41.935%0.3525%0.247SC..Hα-helixtrans-66-44.8176-179.560.5-166.800111.7C386 V387 V388 S393 R394 I465C386-E390 WeakPolarHBondContact O-CB 3.44Å; C386-E390 PolarHBondContact O-N 3.32Å; V387-E390 PolarHBondContact O-N 2.92Å; V388-E390 VanDerWaalsContact C-N 3.3Å; V388-E390 PolarHBondContact O-N 3.19Å; E390-S393 PolarHBondContact O-N 2.94Å; E390-R394 WeakPolarHBondContact O-CG 3.33Å; E390-R394 PolarHBondContact O-N 3.09Å; E390-R394 VanDerWaalsContact O-N 3.12Å; E390-R394 IonicContact OE1-CZ 2.71Å; E390-R394 IonicContact OE1-NE 3.89Å; E390-R394 PolarHBondContact OE1-NE 2.89Å; E390-R394 IonicContact OE1-NH2 3.62Å; E390-R394 PolarHBondContact OE1-NH2 3.37Å; E390-I465 HydrophobicContact CB-CD1 4.3Å; E390-I465 HydrophobicContact CB-CG2 4.39Å; E390-I465 HydrophobicContact CG-CD1 3.8Å; E390-I465 HydrophobicContact CG-CG1 3.92Å; E390-I465 HydrophobicContact CG-CG2 4.14Å
391V98.8Very high98.6Very high0 Ų044.1 Ų44.10%026%0.258CS..Hα-helixtrans-57-53.6172.9174.50000110.1V387 V388 S393 R394 V395 L454 F458 I465V387-V391 WeakPolarHBondContact O-CG2 3.2Å; V387-V391 PolarHBondContact O-N 3.45Å; V388-V391 PolarHBondContact O-N 3.3Å; V391-S393 VanDerWaalsContact C-N 3.31Å; V391-S393 PolarHBondContact O-N 2.74Å; V391-R394 PolarHBondContact O-N 3.1Å; V391-R394 VanDerWaalsContact O-N 3.1Å; V391-V395 WeakPolarHBondContact O-CG2 3.3Å; V391-V395 PolarHBondContact O-N 2.72Å; V391-L454 HydrophobicContact CB-CD1 4.43Å; V391-L454 HydrophobicContact CG1-CD1 3.91Å; V391-F458 HydrophobicContact CG1-CB 4.2Å; V391-I465 HydrophobicContact CB-CD1 4.37Å; V391-I465 HydrophobicContact CG2-CD1 3.44Å; V391-I465 VanDerWaalsContact CG2-CD1 3.44Å
392A98.8Very high98.6Very high3 Ų341.8 Ų41.83%0.02524%0.244CC..Hα-helixtrans-60.5-39.7-176.200000112.4V388 R389 V395 G396 V397 L399 L454V388-A392 VanDerWaalsContact O-CB 3.27Å; V388-A392 WeakPolarHBondContact O-CB 3.5Å; V388-A392 PolarHBondContact O-N 2.98Å; R389-A392 PolarHBondContact O-N 3.4Å; A392-V395 PolarHBondContact O-N 2.7Å; A392-G396 PolarHBondContact O-N 2.68Å; A392-V397 WeakPolarHBondContact CB-O 3.37Å; A392-V397 PolarHBondContact O-N 3Å; A392-L399 HydrophobicContact CB-CD1 3.51Å; A392-L399 HydrophobicContact CB-CD2 4.21Å; A392-L399 HydrophobicContact CB-CG 3.73Å; A392-L454 HydrophobicContact CB-CD1 3.75Å
393S98.6Very high98.6Very high91 Ų9141.2 Ų41.264%0.63623%0.229SC*.Hα-helixtrans-58.9-47173.4-178.10000111.7R389 E390 V391 V395 G396R389-S393 VanDerWaalsContact O-CB 3.26Å; R389-S393 WeakPolarHBondContact O-CB 3.34Å; R389-S393 PolarHBondContact O-N 3.37Å; E390-S393 PolarHBondContact O-N 2.94Å; V391-S393 VanDerWaalsContact C-N 3.31Å; V391-S393 PolarHBondContact O-N 2.74Å; S393-V395 PolarHBondContact O-N 2.91Å; S393-G396 PolarHBondContact O-N 3.42Å
394R98.6Very high98.5Very high123 Ų12340 Ų4046%0.46422%0.222SC..Hα-helixtrans-67.2-32-179.8-70.6-177.3-171.8-165.57.4113.7E390 V391 L461E390-R394 WeakPolarHBondContact O-CG 3.33Å; E390-R394 PolarHBondContact O-N 3.09Å; E390-R394 VanDerWaalsContact O-N 3.12Å; E390-R394 IonicContact OE1-CZ 2.71Å; E390-R394 IonicContact OE1-NE 3.89Å; E390-R394 PolarHBondContact OE1-NE 2.89Å; E390-R394 IonicContact OE1-NH2 3.62Å; E390-R394 PolarHBondContact OE1-NH2 3.37Å; V391-R394 PolarHBondContact O-N 3.1Å; V391-R394 VanDerWaalsContact O-N 3.1Å; R394-L461 HydrophobicContact CB-CD1 3.79Å
395V98.2Very high98.5Very high35 Ų3544.1 Ų44.121%0.21224%0.237CC..Hα-helixtrans-97.22.3177.9-56.80000114V391 A392 S393 V397 T453 L461V391-V395 WeakPolarHBondContact O-CG2 3.3Å; V391-V395 PolarHBondContact O-N 2.72Å; A392-V395 PolarHBondContact O-N 2.7Å; S393-V395 PolarHBondContact O-N 2.91Å; V395-V397 VanDerWaalsContact C-N 3.35Å; V395-V397 HydrophobicContact CG2-CB 4.18Å; V395-V397 HydrophobicContact CG2-CG2 3.79Å; V395-V397 PolarHBondContact O-N 3.08Å; V395-T453 HydrophobicContact CB-CG2 4.21Å; V395-T453 HydrophobicContact CG2-CG2 4.24Å; V395-L461 HydrophobicContact CG1-CD1 3.92Å
396G97.6Very high98.5Very high38 Ų3852.1 Ų52.139%0.39228%0.279SS..THydrogen-bonded Turntrans67.828.417700000114.7A392 S393A392-G396 PolarHBondContact O-N 2.68Å; S393-G396 PolarHBondContact O-N 3.42Å
397V98.6Very high98.4Very high13 Ų1354 Ų548%0.07928%0.284CS..  trans-94.6124.8176.7172.10000109.4P368 A392 V395 Q450 T453 L454P368-V397 HydrophobicContact CG-CG1 4.31Å; A392-V397 WeakPolarHBondContact CB-O 3.37Å; A392-V397 PolarHBondContact O-N 3Å; V395-V397 VanDerWaalsContact C-N 3.35Å; V395-V397 HydrophobicContact CG2-CB 4.18Å; V395-V397 HydrophobicContact CG2-CG2 3.79Å; V395-V397 PolarHBondContact O-N 3.08Å; V397-Q450 HydrophobicContact CG1-CB 4.2Å; V397-T453 HydrophobicContact CG2-CG2 3.7Å; V397-L454 HydrophobicContact CG1-CB 4.32Å
398P98.3Very high98.3Very high60 Ų6056 Ų5639%0.3930%0.299SS..  trans-70.2150.7173.830.8-34.4000110.4G367 P368G367-P398 VanDerWaalsContact CA-O 3.32Å; G367-P398 WeakPolarHBondContact CA-O 3.48Å; P368-P398 WeakPolarHBondContact CD-O 3.41Å
399L98.9Very high98Very high39 Ų3962 Ų6220%0.20434%0.338CS..  trans-125.1154.5173.8-63.2177.2000110.2P368 I370 V388 R389 A392 L454P368-L399 HydrophobicContact CB-CD2 4Å; P368-L399 HydrophobicContact CG-CD2 4.36Å; P368-L399 CarbonylContact O-C 3.44Å; P368-L399 VanDerWaalsContact O-CA 3.31Å; P368-L399 WeakPolarHBondContact O-CA 3.37Å; I370-L399 HydrophobicContact CD1-CD1 3.95Å; I370-L399 HydrophobicContact CG1-CD1 4.31Å; V388-L399 HydrophobicContact CG1-CD1 4Å; R389-L399 HydrophobicContact CG-CD1 4.1Å; A392-L399 HydrophobicContact CB-CD1 3.51Å; A392-L399 HydrophobicContact CB-CD2 4.21Å; A392-L399 HydrophobicContact CB-CG 3.73Å; L399-L454 HydrophobicContact CD2-CD2 3.94Å
400Q98.8Very high97.7Very high26 Ų2658.6 Ų58.612%0.12133%0.327CS..EExtended strand (participates in β ladder)trans-121.2167.7172.6-56.7-177.188.300109.3A363 K366 G367 P368 V369 I370A363-Q400 PolarHBondContact O-NE2 2.81Å; K366-Q400 HydrophobicContact CB-CG 3.95Å; K366-Q400 VanDerWaalsContact CB-OE1 3.31Å; K366-Q400 WeakPolarHBondContact O-CG 3.49Å; G367-Q400 PolarHBondContact O-NE2 3.43Å; P368-Q400 PolarHBondContact O-N 3.41Å; V369-Q400 CarbonylContact C-O 3.53Å; V369-Q400 WeakPolarHBondContact CA-O 3.49Å; V369-Q400 HydrophobicContact CG1-CB 4.41Å; V369-Q400 HydrophobicContact CG2-CB 4.25Å; I370-Q400 PolarHBondContact N-O 3.31Å
401D98.8Very high97.3Very high55 Ų5557.5 Ų57.529%0.29434%0.336SS..EExtended strand (participates in β ladder)trans-121.7141.7176.6-61.6-39.5000109.8F372 R389F372-D401 HydrophobicContact CD2-CB 4.49Å; F372-D401 HydrophobicContact CE2-CB 4.25Å; R389-D401 IonicContact CZ-OD1 2.86Å; R389-D401 IonicContact CZ-OD2 2.76Å; R389-D401 IonicContact NH1-OD1 2.65Å; R389-D401 PolarHBondContact NH1-OD1 3.17Å; R389-D401 IonicContact NH1-OD2 3.33Å; R389-D401 IonicContact NH2-OD1 3.53Å; R389-D401 PolarHBondContact NH2-OD1 3.02Å; R389-D401 IonicContact NH2-OD2 3.69Å; R389-D401 PolarHBondContact NH2-OD2 3.26Å
402V98.4Very high97.1Very high12 Ų1259.8 Ų59.87%0.07335%0.35CS..EExtended strand (participates in β ladder)trans-129.4139.117072.30000111.5P362 V369 I370 K371 F372P362-V402 HydrophobicContact CG-CB 3.74Å; P362-V402 HydrophobicContact CG-CG2 3.91Å; V369-V402 HydrophobicContact CG1-CB 3.55Å; V369-V402 HydrophobicContact CG1-CG1 3.49Å; V369-V402 VanDerWaalsContact CG1-CG1 3.49Å; I370-V402 PolarHBondContact O-N 2.82Å; K371-V402 HydrophobicContact CB-CG1 4.01Å; K371-V402 HydrophobicContact CG-CG1 3.76Å; F372-V402 PolarHBondContact N-O 3.22Å
403M98.2Very high97Very high62 Ų6259.8 Ų59.831%0.30535%0.35SS..  trans-142.4139.9167.2-170.9171.467.100106.9H360H360-M403 HydrophobicContact CB-CB 4.39Å
404V97.6Very high97Very high32 Ų3255.5 Ų55.519%0.19432%0.319CS..  trans-75.1159.3176.7-65.90000111.1S408 C410V404-S408 WeakPolarHBondContact CG2-O 3.36Å; V404-C410 HydrophobicContact CG1-CB 3.71Å; V404-C410 HydrophobicContact CG2-CB 4.2Å
405R98.4Very high97Very high91 Ų9149.6 Ų49.634%0.34330%0.297SS..  trans-61.2148.8168.8-60.9170.152.495.53.7110E354 K355 E357 D407 S408E354-R405 WeakPolarHBondContact O-CD 3.49Å; K355-R405 WeakPolarHBondContact O-CD 3.37Å; E357-R405 HydrophobicContact CB-CG 4.06Å; R405-D407 WeakPolarHBondContact CB-OD1 3.46Å; R405-D407 IonicContact CZ-OD1 2.8Å; R405-D407 IonicContact CZ-OD2 2.89Å; R405-D407 IonicContact NE-OD1 3.55Å; R405-D407 PolarHBondContact NE-OD1 3.14Å; R405-D407 IonicContact NE-OD2 3.64Å; R405-D407 IonicContact NH2-OD1 2.83Å; R405-D407 PolarHBondContact NH2-OD1 3.31Å; R405-D407 IonicContact NH2-OD2 3.63Å; R405-D407 PolarHBondContact NH2-OD2 3.24Å; R405-D407 PolarHBondContact O-N 3.19Å; R405-D407 VanDerWaalsContact O-N 3.16Å; R405-S408 PolarHBondContact O-N 2.87Å; R405-S408 VanDerWaalsContact O-N 3.1Å
406N98.2Very high97.1Very high171 Ų17149 Ų4991%0.91429%0.294SS*.THydrogen-bonded Turntrans-61-26.5178.9-66.2-29.1000113.5
407D97.6Very high97.1Very high113 Ų11348.5 Ų48.560%0.60428%0.282SS*.THydrogen-bonded Turntrans-94.26-179.261.4-4.4000113.9R405R405-D407 WeakPolarHBondContact CB-OD1 3.46Å; R405-D407 IonicContact CZ-OD1 2.8Å; R405-D407 IonicContact CZ-OD2 2.89Å; R405-D407 IonicContact NE-OD1 3.55Å; R405-D407 PolarHBondContact NE-OD1 3.14Å; R405-D407 IonicContact NE-OD2 3.64Å; R405-D407 IonicContact NH2-OD1 2.83Å; R405-D407 PolarHBondContact NH2-OD1 3.31Å; R405-D407 IonicContact NH2-OD2 3.63Å; R405-D407 PolarHBondContact NH2-OD2 3.24Å; R405-D407 PolarHBondContact O-N 3.19Å; R405-D407 VanDerWaalsContact O-N 3.16Å
408S95.7Very high97.1Very high46 Ų4648 Ų4832%0.32228%0.279SS..SBendtrans-128.8105.7-178.8-174.30000110.9V404 R405V404-S408 WeakPolarHBondContact CG2-O 3.36Å; R405-S408 PolarHBondContact O-N 2.87Å; R405-S408 VanDerWaalsContact O-N 3.1Å
409P93.4Very high97.1Very high127 Ų12746.4 Ų46.483%0.82527%0.271SS*.  trans-63.8156.3177.727.9-34.4000111.7
410C92.5Very high97.1Very high19 Ų1948.7 Ų48.713%0.12830%0.296CS..  trans-122.8158.117567.60000112.7N373 R377 V404N373-C410 PolarHBondContact ND2-SG 2.82Å; N373-C410 VanDerWaalsContact ND2-SG 3.4Å; R377-C410 WeakPolarHBondContact CB-SG 3.32Å; R377-C410 PolarHBondContact NE-O 2.88Å; R377-C410 PolarHBondContact NH2-O 2.93Å; V404-C410 HydrophobicContact CG1-CB 3.71Å; V404-C410 HydrophobicContact CG2-CB 4.2Å
411G89.6Confident97Very high51 Ų5153.2 Ų53.253%0.52631%0.312SS..  trans-57.1162.9168.200000112.1R377R377-G411 VanDerWaalsContact NH2-C 3.34Å
412T94.3Very high96.9Very high49 Ų4951.3 Ų51.330%0.30130%0.301SS..  trans-100.8156.3165.5-172.20000107.3R377R377-T412 VanDerWaalsContact CZ-CB 3.47Å; R377-T412 WeakPolarHBondContact O-CA 3.49Å
413T97.8Very high96.8Very high2 Ų253.5 Ų53.51%0.01233%0.326CS..  trans-106.4-176.5171.464.20000110.1E298 D343 Y378 G415 P416 D428E298-T413 WeakPolarHBondContact OE1-CA 3.26Å; D343-T413 HydrophobicContact CB-CG2 4.4Å; D343-T413 VanDerWaalsContact OD2-CG2 3.23Å; D343-T413 WeakPolarHBondContact OD2-CG2 3.43Å; Y378-T413 HydrophobicContact CD1-CG2 3.74Å; Y378-T413 HydrophobicContact CE1-CG2 3.66Å; T413-G415 PolarHBondContact O-N 2.77Å; T413-G415 PolarHBondContact OG1-N 2.86Å; T413-P416 WeakPolarHBondContact OG1-CD 3.37Å; T413-D428 WeakPolarHBondContact CB-OD1 3.45Å; T413-D428 PolarHBondContact OG1-OD1 3Å
414I98.6Very high96.8Very high1 Ų150.9 Ų50.91%0.00531%0.314CS..Hα-helixtrans-63.1-16.3164.765.6176.3000113.7F295 E298 A308 S341 I417 L418F295-I414 HydrophobicContact CD2-CD1 3.9Å; F295-I414 HydrophobicContact CE2-CD1 4.2Å; E298-I414 HydrophobicContact CB-CG2 4.31Å; E298-I414 HydrophobicContact CG-CG2 3.49Å; E298-I414 VanDerWaalsContact CG-CG2 3.49Å; A308-I414 HydrophobicContact CB-CB 3.78Å; A308-I414 HydrophobicContact CB-CG2 3.58Å; S341-I414 WeakPolarHBondContact OG-CG1 3.3Å; I414-I417 WeakPolarHBondContact O-CB 3.07Å; I414-I417 PolarHBondContact O-N 2.88Å; I414-L418 HydrophobicContact CB-CD1 3.95Å; I414-L418 HydrophobicContact CD1-CD1 3.95Å; I414-L418 HydrophobicContact CG1-CD1 4.02Å; I414-L418 WeakPolarHBondContact O-CB 3.29Å; I414-L418 WeakPolarHBondContact O-CG 3.36Å; I414-L418 PolarHBondContact O-N 3.24Å
415G98.7Very high96.8Very high0 Ų051.8 Ų51.80%032%0.32CS..Hα-helixtrans-60.5-60.3-17200000113.2S341 T413 I417 L418 A419S341-G415 WeakPolarHBondContact OG-CA 3.32Å; S341-G415 PolarHBondContact OG-N 3.19Å; T413-G415 PolarHBondContact O-N 2.77Å; T413-G415 PolarHBondContact OG1-N 2.86Å; G415-I417 PolarHBondContact O-N 3.12Å; G415-L418 PolarHBondContact O-N 2.89Å; G415-A419 WeakPolarHBondContact O-CB 3.41Å; G415-A419 PolarHBondContact O-N 3.05Å
416P98.8Very high96.9Very high22 Ų2247.6 Ų47.614%0.14331%0.305CS..Hα-helixtrans-58.1-35.1174.9-2634.4000113.4Q376 A379 T413 A420Q376-P416 WeakPolarHBondContact O-CB 3.37Å; Q376-P416 WeakPolarHBondContact O-CG 3.31Å; A379-P416 HydrophobicContact CB-CG 4.41Å; T413-P416 WeakPolarHBondContact OG1-CD 3.37Å; P416-A420 WeakPolarHBondContact O-CB 3.19Å; P416-A420 PolarHBondContact O-N 3Å
417I98.6Very high96.9Very high28 Ų2839.5 Ų39.514%0.14426%0.261CS..Hα-helixtrans-61.5-52.8178.2-66.4172.1000110.2A308 Q309 I414 G415 A420 R421A308-I417 HydrophobicContact CB-CG2 4.12Å; A308-I417 WeakPolarHBondContact O-CG2 3.46Å; Q309-I417 HydrophobicContact CB-CG2 4.31Å; Q309-I417 HydrophobicContact CG-CD1 4.18Å; Q309-I417 HydrophobicContact CG-CG2 3.63Å; I414-I417 WeakPolarHBondContact O-CB 3.07Å; I414-I417 PolarHBondContact O-N 2.88Å; G415-I417 PolarHBondContact O-N 3.12Å; I417-A420 PolarHBondContact O-N 2.98Å; I417-R421 HydrophobicContact CG2-CG 4.36Å; I417-R421 VanDerWaalsContact O-CB 3.29Å; I417-R421 WeakPolarHBondContact O-CB 3.46Å; I417-R421 WeakPolarHBondContact O-CG 3.4Å; I417-R421 PolarHBondContact O-N 3.44Å
418L98.5Very high96.9Very high2 Ų234.1 Ų34.11%0.0123%0.232CC..Hα-helixtrans-71.9-35.3-177.2-69.3162.9000111.8F295 A308 M339 I414 G415 A420 R421 L422F295-L418 HydrophobicContact CD2-CD1 4.37Å; F295-L418 HydrophobicContact CE2-CD1 3.53Å; F295-L418 HydrophobicContact CE2-CD2 4.18Å; F295-L418 HydrophobicContact CE2-CG 4.45Å; F295-L418 HydrophobicContact CZ-CD1 4.06Å; F295-L418 HydrophobicContact CZ-CD2 3.84Å; A308-L418 HydrophobicContact CB-CD1 4.36Å; A308-L418 HydrophobicContact CB-CD2 4.37Å; A308-L418 HydrophobicContact CB-CG 4.24Å; M339-L418 HydrophobicContact CE-CD1 4.18Å; M339-L418 HydrophobicContact SD-CB 3.88Å; M339-L418 HydrophobicContact SD-CD1 3.49Å; M339-L418 WeakPolarHBondContact SD-CD1 3.39Å; M339-L418 HydrophobicContact SD-CG 4.23Å; I414-L418 HydrophobicContact CB-CD1 3.95Å; I414-L418 HydrophobicContact CD1-CD1 3.95Å; I414-L418 HydrophobicContact CG1-CD1 4.02Å; I414-L418 WeakPolarHBondContact O-CB 3.29Å; I414-L418 WeakPolarHBondContact O-CG 3.36Å; I414-L418 PolarHBondContact O-N 3.24Å; G415-L418 PolarHBondContact O-N 2.89Å; L418-A420 PolarHBondContact O-N 2.67Å; L418-R421 PolarHBondContact O-N 3.02Å; L418-L422 HydrophobicContact CD2-CD1 4.25Å; L418-L422 WeakPolarHBondContact O-CB 3.39Å; L418-L422 PolarHBondContact O-N 3.06Å
419A98.5Very high97.1Very high26 Ų2632 Ų3222%0.21522%0.217CC..Hα-helixtrans-57-50.1172.800000111.1A379 G415 G423 V426A379-A419 HydrophobicContact CB-CB 4.13Å; G415-A419 WeakPolarHBondContact O-CB 3.41Å; G415-A419 PolarHBondContact O-N 3.05Å; A419-G423 VanDerWaalsContact O-CA 3.32Å; A419-G423 WeakPolarHBondContact O-CA 3.45Å; A419-G423 PolarHBondContact O-N 3.19Å; A419-V426 HydrophobicContact CB-CB 4.14Å; A419-V426 HydrophobicContact CB-CG2 3.63Å
420A97.9Very high97.3Very high88 Ų8826 Ų2673%0.72718%0.18SC*.Hα-helixtrans-70.1-40-179.900000112.7P416 I417 L418P416-A420 WeakPolarHBondContact O-CB 3.19Å; P416-A420 PolarHBondContact O-N 3Å; I417-A420 PolarHBondContact O-N 2.98Å; L418-A420 PolarHBondContact O-N 2.67Å
421R96.8Very high97.6Very high121 Ų12125.2 Ų25.246%0.45717%0.174SC..Hα-helixtrans-69.2-36.7-178.7-76-74.8-175.5151.22.6113.1Q309 I417 L418Q309-R421 PolarHBondContact O-NE 2.9Å; Q309-R421 PolarHBondContact O-NH1 2.83Å; Q309-R421 VanDerWaalsContact O-NH1 3.1Å; Q309-R421 PolarHBondContact O-NH2 2.7Å; Q309-R421 VanDerWaalsContact O-NH2 3.11Å; I417-R421 HydrophobicContact CG2-CG 4.36Å; I417-R421 VanDerWaalsContact O-CB 3.29Å; I417-R421 WeakPolarHBondContact O-CB 3.46Å; I417-R421 WeakPolarHBondContact O-CG 3.4Å; I417-R421 PolarHBondContact O-N 3.44Å; L418-R421 PolarHBondContact O-N 3.02Å
422L97.5Very high98.1Very high15 Ų1522.8 Ų22.88%0.07915%0.149CC..Hα-helixtrans-106.8-14.8-172.4-58.1175.1000113.7T313 E314 L317 M339 L418 V424T313-L422 HydrophobicContact CG2-CD1 3.83Å; T313-L422 HydrophobicContact CG2-CD2 4.48Å; E314-L422 HydrophobicContact CB-CD2 3.86Å; E314-L422 HydrophobicContact CG-CD2 4.44Å; L317-L422 HydrophobicContact CD1-CD1 4.1Å; L317-L422 HydrophobicContact CD1-CD2 4.21Å; M339-L422 HydrophobicContact CE-CD1 4.38Å; L418-L422 HydrophobicContact CD2-CD1 4.25Å; L418-L422 WeakPolarHBondContact O-CB 3.39Å; L418-L422 PolarHBondContact O-N 3.06Å; L422-V424 HydrophobicContact CB-CB 4.23Å; L422-V424 HydrophobicContact CB-CG2 3.8Å; L422-V424 PolarHBondContact O-N 3.45Å
423G96.5Very high98.3Very high58 Ų5820.5 Ų20.560%0.59814%0.135SC*.  trans64.127.5-171.400000113A419A419-G423 VanDerWaalsContact O-CA 3.32Å; A419-G423 WeakPolarHBondContact O-CA 3.45Å; A419-G423 PolarHBondContact O-N 3.19Å
424V97.4Very high98.4Very high7 Ų721.5 Ų21.54%0.04214%0.14CC..  trans-102.1140-177.7172.50000109.7M87 A334 L422 V426M87-V424 HydrophobicContact CE-CB 4.42Å; M87-V424 HydrophobicContact CE-CG1 3.78Å; M87-V424 HydrophobicContact CE-CG2 4.2Å; A334-V424 HydrophobicContact CB-CG2 4.19Å; L422-V424 HydrophobicContact CB-CB 4.23Å; L422-V424 HydrophobicContact CB-CG2 3.8Å; L422-V424 PolarHBondContact O-N 3.45Å; V424-V426 WeakPolarHBondContact O-CG2 3.3Å; V424-V426 PolarHBondContact O-N 3.35Å
425P98.2Very high98.4Very high50 Ų5023.8 Ų23.833%0.32516%0.159SC..  trans-60.7127.5170.8-22.532.9000112.1F338 M339 T384F338-P425 HydrophobicContact CD2-CB 4.04Å; F338-P425 HydrophobicContact CE2-CB 4.42Å; M339-P425 PolarHBondContact N-O 2.88Å; T384-P425 HydrophobicContact CG2-CB 3.77Å
426V98.9Very high98.4Very high4 Ų425.1 Ų25.12%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-124146.1-179.5-172.20000111.2M339 A379 T384 A419 V424M339-V426 HydrophobicContact CB-CG1 4.28Å; M339-V426 HydrophobicContact CB-CG2 4.01Å; M339-V426 HydrophobicContact CG-CG1 4.45Å; M339-V426 VanDerWaalsContact O-CA 3.28Å; M339-V426 WeakPolarHBondContact O-CA 3.31Å; A379-V426 CarbonylContact C-O 3.52Å; A379-V426 HydrophobicContact CB-CB 3.72Å; A379-V426 HydrophobicContact CB-CG1 4.08Å; A379-V426 VanDerWaalsContact O-O 3.09Å; T384-V426 WeakPolarHBondContact CB-O 3.29Å; T384-V426 WeakPolarHBondContact CG2-O 3.38Å; T384-V426 PolarHBondContact OG1-O 2.75Å; A419-V426 HydrophobicContact CB-CB 4.14Å; A419-V426 HydrophobicContact CB-CG2 3.63Å; V424-V426 WeakPolarHBondContact O-CG2 3.3Å; V424-V426 PolarHBondContact O-N 3.35Å
427V98.9Very high98.4Very high0 Ų026.4 Ų26.40%017%0.169CC..EExtended strand (participates in β ladder)trans-125.3135.1169.461.30000109.1F338 M339 I340 S341 I370 T380 V388 I429F338-V427 HydrophobicContact CE1-CB 4.3Å; F338-V427 HydrophobicContact CE1-CG1 3.43Å; F338-V427 VanDerWaalsContact CE1-CG1 3.43Å; F338-V427 HydrophobicContact CZ-CB 4Å; F338-V427 HydrophobicContact CZ-CG1 3.6Å; M339-V427 PolarHBondContact O-N 2.83Å; I340-V427 CarbonylContact C-O 3.42Å; I340-V427 HydrophobicContact CB-CG1 4.29Å; I340-V427 HydrophobicContact CG1-CG1 3.86Å; I340-V427 HydrophobicContact CG2-CG1 4.44Å; S341-V427 PolarHBondContact N-O 2.79Å; I370-V427 HydrophobicContact CG2-CG2 4.23Å; T380-V427 HydrophobicContact CG2-CG2 4.05Å; V388-V427 HydrophobicContact CG2-CB 4.19Å; V388-V427 HydrophobicContact CG2-CG1 3.44Å; V388-V427 VanDerWaalsContact CG2-CG1 3.44Å; V388-V427 HydrophobicContact CG2-CG2 3.99Å; V427-I429 HydrophobicContact CG1-CG2 4.45Å; V427-I429 HydrophobicContact CG2-CG2 3.89Å
428D98.9Very high98.4Very high0 Ų025.8 Ų25.80%017%0.168CC..EExtended strand (participates in β ladder)trans-96.3122.5175.8-81.6-83.9000110.3S341 K371 Y378 A379 T380 T413S341-D428 WeakPolarHBondContact CB-OD1 3.23Å; S341-D428 WeakPolarHBondContact O-CA 3.05Å; S341-D428 PolarHBondContact OG-OD1 3.26Å; K371-D428 HydrophobicContact CB-CB 4.03Å; K371-D428 PolarHBondContact N-O 3.08Å; Y378-D428 WeakPolarHBondContact CA-OD2 3.45Å; Y378-D428 HydrophobicContact CD1-CB 4.12Å; Y378-D428 HydrophobicContact CG-CB 4.24Å; A379-D428 PolarHBondContact N-OD2 3Å; T380-D428 PolarHBondContact OG1-N 3.47Å; T380-D428 PolarHBondContact OG1-O 3.17Å; T413-D428 WeakPolarHBondContact CB-OD1 3.45Å; T413-D428 PolarHBondContact OG1-OD1 3Å
429I98.8Very high98.4Very high1 Ų126 Ų261%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-136.3158.5176.382.1173.3000111.7I340 S341 A342 D343 V369 I370 V427 L454 F455I340-I429 HydrophobicContact CG2-CD1 3.75Å; I340-I429 HydrophobicContact CG2-CG1 3.61Å; S341-I429 PolarHBondContact O-N 2.62Å; A342-I429 WeakPolarHBondContact CA-O 3.43Å; D343-I429 PolarHBondContact N-O 2.71Å; D343-I429 CarbonylContact O-C 3.56Å; V369-I429 CarbonylContact O-C 3.53Å; V369-I429 WeakPolarHBondContact O-CA 3.42Å; V369-I429 WeakPolarHBondContact O-CB 3.48Å; I370-I429 HydrophobicContact CG1-CG2 4.3Å; V427-I429 HydrophobicContact CG1-CG2 4.45Å; V427-I429 HydrophobicContact CG2-CG2 3.89Å; I429-L454 HydrophobicContact CD1-CD2 3.56Å; I429-F455 HydrophobicContact CD1-CE1 3.57Å; I429-F455 HydrophobicContact CD1-CZ 4.26Å; I429-F455 HydrophobicContact CG1-CE1 4.22Å
430G98.6Very high98.4Very high3 Ų326.7 Ų26.73%0.03117%0.166CC..EExtended strand (participates in β ladder)trans-159.1154.6-178.800000115.3D343 V369D343-G430 WeakPolarHBondContact O-CA 3.24Å; D343-G430 PolarHBondContact O-N 2.98Å; V369-G430 WeakPolarHBondContact CB-O 3.49Å; V369-G430 WeakPolarHBondContact CG2-O 3.2Å; V369-G430 PolarHBondContact N-O 3.49Å; V369-G430 PolarHBondContact O-N 2.93Å
431A98.7Very high98.5Very high1 Ų122.7 Ų22.71%0.00813%0.132CC..  trans-76142.4166.400000110.8H265 M344 A345H265-A431 WeakPolarHBondContact CE1-CB 3.32Å; M344-A431 HydrophobicContact CE-CB 3.85Å; M344-A431 WeakPolarHBondContact CE-O 3.13Å; M344-A431 HydrophobicContact SD-CB 3.87Å; A345-A431 PolarHBondContact N-O 3.32Å
432P98.8Very high98.6Very high1 Ų119.1 Ų19.11%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-72.7129.3178.829.5-33.3000111.4A345 A347 P362 A363 F364 V369A345-P432 CarbonylContact O-C 3.55Å; A345-P432 WeakPolarHBondContact O-CA 3.31Å; A347-P432 HydrophobicContact CB-CB 3.94Å; P362-P432 HydrophobicContact CB-CB 4.13Å; A363-P432 WeakPolarHBondContact O-CG 3.5Å; F364-P432 HydrophobicContact CD1-CB 4.42Å; F364-P432 HydrophobicContact CD1-CG 4.43Å; F364-P432 WeakPolarHBondContact CE1-O 3.14Å; V369-P432 HydrophobicContact CG2-CB 4.13Å; V369-P432 HydrophobicContact CG2-CG 4.38Å
433Q98.9Very high98.6Very high1 Ų118.4 Ų18.41%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-136165.1174.772.5170.170.900113.1M344 A345 A347 M436 E441 M442 C443M344-Q433 HydrophobicContact CB-CG 4.2Å; M344-Q433 VanDerWaalsContact CB-OE1 3.27Å; M344-Q433 HydrophobicContact CE-CB 3.78Å; M344-Q433 HydrophobicContact CE-CG 4.02Å; A345-Q433 PolarHBondContact O-N 3.06Å; A347-Q433 WeakPolarHBondContact CB-O 3.38Å; A347-Q433 PolarHBondContact N-O 2.69Å; Q433-M436 HydrophobicContact CG-CE 3.88Å; Q433-M436 VanDerWaalsContact NE2-CA 3.26Å; Q433-E441 VanDerWaalsContact NE2-CD 3.32Å; Q433-E441 PolarHBondContact NE2-OE1 2.93Å; Q433-M442 CarbonylContact C-O 3.36Å; Q433-M442 VanDerWaalsContact CA-O 3.25Å; Q433-M442 WeakPolarHBondContact CA-O 3.49Å; Q433-M442 WeakPolarHBondContact CB-O 3.45Å; Q433-C443 HydrophobicContact CB-CB 3.85Å
434L98.9Very high98.7Very high23 Ų2315.6 Ų15.612%0.129%0.089CC..EExtended strand (participates in β ladder)trans-113163.7167.5-63.4177000110.3A347 H349 F364 M436 M442A347-L434 HydrophobicContact CB-CD2 3.87Å; A347-L434 HydrophobicContact CB-CG 4.24Å; A347-L434 WeakPolarHBondContact O-CD2 3.47Å; H349-L434 HydrophobicContact CB-CD2 3.91Å; F364-L434 HydrophobicContact CE1-CG 4.43Å; F364-L434 HydrophobicContact CE2-CD1 4.1Å; F364-L434 HydrophobicContact CE2-CG 4.44Å; F364-L434 HydrophobicContact CZ-CB 4.48Å; F364-L434 HydrophobicContact CZ-CD1 3.86Å; F364-L434 HydrophobicContact CZ-CG 3.72Å; L434-M436 VanDerWaalsContact C-N 3.26Å; L434-M436 PolarHBondContact O-N 2.77Å; L434-M442 HydrophobicContact CB-CB 4.49Å; L434-M442 PolarHBondContact N-O 3.06Å; L434-M442 PolarHBondContact O-N 2.94Å
435A98.8Very high98.8Very high48 Ų4815.5 Ų15.540%0.3979%0.088SC..SBendtrans56.534.3175.700000114.5H437 S438 E441A435-H437 PolarHBondContact O-N 2.79Å; A435-S438 WeakPolarHBondContact O-CB 3.21Å; A435-S438 PolarHBondContact O-N 2.83Å; A435-E441 WeakPolarHBondContact O-CG 3.27Å
436M98.8Very high98.8Very high29 Ų2913.6 Ų13.614%0.1438%0.076CC..THydrogen-bonded Turntrans-48.6134.9175.6-170.2177.3-78.300111.9I122 D262 M344 H346 Q433 L434 S438 E441I122-M436 WeakPolarHBondContact CD1-O 3.5Å; D262-M436 HydrophobicContact CB-CG 4.24Å; D262-M436 WeakPolarHBondContact OD2-CG 3.47Å; M344-M436 HydrophobicContact CB-CE 3.5Å; M344-M436 VanDerWaalsContact CB-CE 3.5Å; H346-M436 PolarHBondContact CE1-SD 3.42Å; Q433-M436 HydrophobicContact CG-CE 3.88Å; Q433-M436 VanDerWaalsContact NE2-CA 3.26Å; L434-M436 VanDerWaalsContact C-N 3.26Å; L434-M436 PolarHBondContact O-N 2.77Å; M436-S438 VanDerWaalsContact C-N 3.27Å; M436-S438 PolarHBondContact O-N 2.86Å; M436-E441 VanDerWaalsContact CA-OE1 3.27Å; M436-E441 WeakPolarHBondContact CA-OE1 3.38Å
437H98.8Very high98.8Very high48 Ų4813.4 Ų13.422%0.2228%0.075CC..THydrogen-bonded Turntrans69.59.5-172.8-52.8-178000116P95 G120 I122 D262 E299 A435 E441P95-H437 HydrophobicContact CG-CB 3.95Å; G120-H437 WeakPolarHBondContact O-CB 3.22Å; G120-H437 PolarHBondContact O-ND1 2.99Å; I122-H437 HydrophobicContact CG1-CB 4.38Å; I122-H437 PolarHBondContact N-O 2.88Å; D262-H437 IonicContact OD2-CD2 3.52Å; D262-H437 PolarHBondContact OD2-CD2 3.17Å; D262-H437 VanDerWaalsContact OD2-CD2 3.24Å; D262-H437 IonicContact OD2-NE2 2.62Å; D262-H437 PolarHBondContact OD2-NE2 3.35Å; E299-H437 IonicContact OE1-CD2 2.7Å; E299-H437 IonicContact OE1-NE2 3.42Å; E299-H437 IonicContact OE2-CE1 3.75Å; E299-H437 IonicContact OE2-NE2 3.78Å; A435-H437 PolarHBondContact O-N 2.79Å; H437-E441 PolarHBondContact N-OE1 2.87Å
438S98.9Very high98.8Very high16 Ų1613.4 Ų13.411%0.1128%0.075CC..SBendtrans-72.1154.8165.9-177.20000110.7T125 A435 M436 R440 E441T125-S438 WeakPolarHBondContact CG2-OG 3.26Å; T125-S438 PolarHBondContact OG1-OG 2.91Å; A435-S438 WeakPolarHBondContact O-CB 3.21Å; A435-S438 PolarHBondContact O-N 2.83Å; M436-S438 VanDerWaalsContact C-N 3.27Å; M436-S438 PolarHBondContact O-N 2.86Å; S438-R440 PolarHBondContact O-N 3.33Å; S438-R440 VanDerWaalsContact O-N 3.16Å; S438-R440 PolarHBondContact OG-N 3.48Å; S438-R440 VanDerWaalsContact OG-N 3.13Å; S438-R440 PolarHBondContact OG-O 3.36Å; S438-E441 WeakPolarHBondContact O-CG 3.4Å
439I98.9Very high98.8Very high7 Ų715.1 Ų15.14%0.0368%0.084CC..SBendtrans-59.8-20.9165.5-155.2176.4000112.1T125 W126 R129 L131 D242 P259T125-I439 WeakPolarHBondContact O-CG2 3.25Å; T125-I439 PolarHBondContact OG1-N 2.98Å; T125-I439 VanDerWaalsContact OG1-N 3.09Å; W126-I439 HydrophobicContact CD2-CB 4.31Å; W126-I439 HydrophobicContact CD2-CD1 3.65Å; W126-I439 HydrophobicContact CD2-CG1 4.06Å; W126-I439 HydrophobicContact CE3-CD1 3.59Å; W126-I439 HydrophobicContact CE3-CG1 4.33Å; W126-I439 HydrophobicContact CG-CB 4.39Å; W126-I439 HydrophobicContact CG-CD1 4.16Å; W126-I439 HydrophobicContact CH2-CD1 4.15Å; W126-I439 HydrophobicContact CH2-CG1 4.15Å; W126-I439 HydrophobicContact CZ2-CB 4.34Å; W126-I439 HydrophobicContact CZ2-CD1 4.18Å; W126-I439 HydrophobicContact CZ2-CG1 3.85Å; W126-I439 HydrophobicContact CZ3-CD1 3.87Å; W126-I439 HydrophobicContact CZ3-CG1 4.38Å; R129-I439 HydrophobicContact CB-CD1 4.33Å; R129-I439 HydrophobicContact CG-CD1 4.07Å; R129-I439 HydrophobicContact CG-CG2 4.21Å; L131-I439 HydrophobicContact CD2-CD1 3.6Å; D242-I439 HydrophobicContact CB-CD1 3.82Å; D242-I439 HydrophobicContact CB-CG1 4.04Å; P259-I439 VanDerWaalsContact CA-O 3.25Å; P259-I439 WeakPolarHBondContact CA-O 2.98Å; P259-I439 WeakPolarHBondContact CB-O 3.07Å
440R98.9Very high98.8Very high39 Ų3915.6 Ų15.615%0.1479%0.086CC..SBendtrans-144.6102.3177.4-161.3175-172.887.12.8111.2Q244 P245 F257 S438Q244-R440 PolarHBondContact O-NH1 3.2Å; P245-R440 PolarHBondContact O-NH1 3.12Å; P245-R440 PolarHBondContact O-NH2 3.01Å; F257-R440 PolarHBondContact O-NH2 3.03Å; S438-R440 PolarHBondContact O-N 3.33Å; S438-R440 VanDerWaalsContact O-N 3.16Å; S438-R440 PolarHBondContact OG-N 3.48Å; S438-R440 VanDerWaalsContact OG-N 3.13Å; S438-R440 PolarHBondContact OG-O 3.36Å
441E98.9Very high98.8Very high5 Ų515.6 Ų15.62%0.0239%0.086CC..EExtended strand (participates in β ladder)trans-92.7173.4-174.4-52.6176.9109.700111.2S258 R260 L261 D262 Q433 A435 M436 H437 S438S258-E441 PolarHBondContact N-O 3.34Å; S258-E441 VanDerWaalsContact N-O 3.13Å; S258-E441 PolarHBondContact O-N 3.4Å; R260-E441 PolarHBondContact N-OE2 3.47Å; L261-E441 WeakPolarHBondContact CA-OE2 3.47Å; L261-E441 HydrophobicContact CB-CB 4.18Å; L261-E441 VanDerWaalsContact CB-OE2 3.31Å; L261-E441 WeakPolarHBondContact CB-OE2 3.34Å; L261-E441 HydrophobicContact CD1-CB 3.68Å; L261-E441 HydrophobicContact CG-CB 4.02Å; L261-E441 PolarHBondContact N-OE2 3.17Å; D262-E441 WeakPolarHBondContact CB-OE1 3.46Å; D262-E441 PolarHBondContact N-OE2 3.26Å; Q433-E441 VanDerWaalsContact NE2-CD 3.32Å; Q433-E441 PolarHBondContact NE2-OE1 2.93Å; A435-E441 WeakPolarHBondContact O-CG 3.27Å; M436-E441 VanDerWaalsContact CA-OE1 3.27Å; M436-E441 WeakPolarHBondContact CA-OE1 3.38Å; H437-E441 PolarHBondContact N-OE1 2.87Å; S438-E441 WeakPolarHBondContact O-CG 3.4Å
442M98.9Very high98.8Very high45 Ų4515.8 Ų15.822%0.2229%0.087CC..EExtended strand (participates in β ladder)trans-138.5121.4-177.5179.2-178.5177.700112.1F255 I256 F257 F364 Q433 L434F255-M442 HydrophobicContact CB-CE 3.94Å; F255-M442 HydrophobicContact CB-CG 4.49Å; F255-M442 HydrophobicContact CD1-CE 3.42Å; F255-M442 VanDerWaalsContact CD1-CE 3.42Å; F255-M442 HydrophobicContact CD2-CE 3.42Å; F255-M442 VanDerWaalsContact CD2-CE 3.42Å; F255-M442 HydrophobicContact CE1-CE 3.72Å; F255-M442 HydrophobicContact CE2-CE 3.69Å; F255-M442 HydrophobicContact CG-CE 3.28Å; F255-M442 HydrophobicContact CZ-CE 3.84Å; I256-M442 WeakPolarHBondContact O-CA 3.44Å; F257-M442 HydrophobicContact CD1-CB 4.29Å; F257-M442 HydrophobicContact CD1-CG 3.94Å; F257-M442 HydrophobicContact CD1-SD 4.5Å; F257-M442 HydrophobicContact CE1-CE 3.94Å; F257-M442 HydrophobicContact CE1-CG 3.79Å; F257-M442 HydrophobicContact CE1-SD 3.85Å; F364-M442 HydrophobicContact CE2-CE 3.96Å; F364-M442 HydrophobicContact CZ-CG 4.37Å; Q433-M442 CarbonylContact C-O 3.36Å; Q433-M442 VanDerWaalsContact CA-O 3.25Å; Q433-M442 WeakPolarHBondContact CA-O 3.49Å; Q433-M442 WeakPolarHBondContact CB-O 3.45Å; L434-M442 HydrophobicContact CB-CB 4.49Å; L434-M442 PolarHBondContact N-O 3.06Å; L434-M442 PolarHBondContact O-N 2.94Å
443C98.7Very high98.8Very high0 Ų017.7 Ų17.70%010%0.098CC..EExtended strand (participates in β ladder)trans-131.5-174169.478.30000111.6F255 I256 L261 M344 Q433F255-C443 CarbonylContact C-O 3.54Å; F255-C443 WeakPolarHBondContact CA-O 3.35Å; I256-C443 PolarHBondContact N-O 3.39Å; I256-C443 PolarHBondContact O-N 3.34Å; I256-C443 VanDerWaalsContact O-N 3.12Å; L261-C443 HydrophobicContact CD1-CB 3.78Å; M344-C443 HydrophobicContact CE-CB 4.19Å; Q433-C443 HydrophobicContact CB-CB 3.85Å
444C98.7Very high98.8Very high0 Ų017.7 Ų17.70%010%0.098CC..EExtended strand (participates in β ladder)trans-106.1140.9-176640000112.1F364 H365 S446 S447F364-C444 HydrophobicContact CB-CB 3.7Å; F364-C444 HydrophobicContact CD1-CB 3.94Å; F364-C444 HydrophobicContact CG-CB 3.88Å; H365-C444 VanDerWaalsContact CE1-CB 3.49Å; H365-C444 WeakPolarHBondContact CE1-CB 3.29Å; H365-C444 PolarHBondContact N-SG 3.49Å; C444-S446 PolarHBondContact O-N 2.97Å; C444-S447 WeakPolarHBondContact O-CB 3.29Å; C444-S447 PolarHBondContact O-N 3.39Å; C444-S447 PolarHBondContact O-OG 3.3Å
445T98.8Very high98.8Very high5 Ų516.7 Ų16.73%0.0319%0.093CC..Hα-helixtrans-58.5-41.4-175.446.30000114A15 L248 E253 E254 I256 S447 V448A15-T445 HydrophobicContact CB-CG2 3.76Å; L248-T445 HydrophobicContact CD1-CG2 4.45Å; L248-T445 HydrophobicContact CD2-CG2 3.72Å; E253-T445 WeakPolarHBondContact O-CG2 3.4Å; E254-T445 WeakPolarHBondContact O-CG2 3.27Å; E254-T445 PolarHBondContact O-N 2.92Å; E254-T445 PolarHBondContact O-OG1 2.94Å; I256-T445 HydrophobicContact CD1-CG2 4.47Å; I256-T445 HydrophobicContact CG1-CG2 3.93Å; T445-S447 PolarHBondContact O-N 2.92Å; T445-V448 PolarHBondContact O-N 3.22Å
446S98.7Very high98.8Very high9 Ų917.6 Ų17.66%0.0639%0.088CC..Hα-helixtrans-65-24-178.664.80000113.4H365 C444 V448 L449 Q450H365-S446 VanDerWaalsContact CA-OG 3.26Å; H365-S446 WeakPolarHBondContact CA-OG 3.24Å; H365-S446 PolarHBondContact ND1-OG 2.88Å; C444-S446 PolarHBondContact O-N 2.97Å; S446-V448 PolarHBondContact O-N 3.49Å; S446-L449 PolarHBondContact O-N 3.19Å; S446-Q450 WeakPolarHBondContact O-CB 3.37Å; S446-Q450 WeakPolarHBondContact O-CG 3.49Å; S446-Q450 PolarHBondContact O-N 3Å; S446-Q450 PolarHBondContact O-OE1 2.97Å; S446-Q450 PolarHBondContact OG-OE1 3.43Å
447S98.4Very high98.8Very high1 Ų116.2 Ų16.21%0.0078%0.082CC..Hα-helixtrans-59.1-34.3179.668.20000112.5H265 C444 T445 S451H265-S447 PolarHBondContact NE2-OG 2.77Å; C444-S447 WeakPolarHBondContact O-CB 3.29Å; C444-S447 PolarHBondContact O-N 3.39Å; C444-S447 PolarHBondContact O-OG 3.3Å; T445-S447 PolarHBondContact O-N 2.92Å; S447-S451 VanDerWaalsContact O-CB 3.28Å; S447-S451 WeakPolarHBondContact O-CB 3.28Å; S447-S451 PolarHBondContact O-N 3.27Å; S447-S451 PolarHBondContact O-OG 2.89Å; S447-S451 VanDerWaalsContact O-OG 3.11Å
448V98.8Very high98.8Very high0 Ų014 Ų140%07%0.071CC..Hα-helixtrans-63-55.8-179.9-178.30000109.8A14 F18 I256 Y268 T445 S446 Q450 S451 T452A14-V448 HydrophobicContact CB-CB 4.48Å; A14-V448 HydrophobicContact CB-CG1 4.08Å; F18-V448 HydrophobicContact CB-CG1 4.06Å; F18-V448 HydrophobicContact CB-CG2 4.24Å; F18-V448 HydrophobicContact CD1-CG2 4.37Å; F18-V448 HydrophobicContact CG-CG2 4.33Å; I256-V448 HydrophobicContact CD1-CG2 3.71Å; Y268-V448 HydrophobicContact CD1-CG1 3.98Å; Y268-V448 HydrophobicContact CE1-CG1 3.53Å; T445-V448 PolarHBondContact O-N 3.22Å; S446-V448 PolarHBondContact O-N 3.49Å; V448-Q450 VanDerWaalsContact C-N 3.35Å; V448-Q450 PolarHBondContact O-N 3.22Å; V448-S451 PolarHBondContact O-N 3.16Å; V448-T452 PolarHBondContact O-N 3.04Å; V448-T452 PolarHBondContact O-OG1 3.19Å; V448-T452 VanDerWaalsContact O-OG1 3.09Å
449L98.8Very high98.8Very high36 Ų3613.2 Ų13.219%0.1887%0.066CC..Hα-helixtrans-67.3-36.1-178.8-175.357.5000112.1M6 A10 V11 A14 S446 T453M6-L449 HydrophobicContact CE-CB 3.47Å; M6-L449 VanDerWaalsContact CE-CB 3.47Å; M6-L449 HydrophobicContact CE-CD2 3.29Å; M6-L449 HydrophobicContact CE-CG 3.2Å; A10-L449 HydrophobicContact CB-CD2 3.74Å; V11-L449 HydrophobicContact CG2-CD2 4.23Å; A14-L449 HydrophobicContact CB-CB 3.85Å; A14-L449 HydrophobicContact CB-CD1 4.32Å; S446-L449 PolarHBondContact O-N 3.19Å; L449-T453 VanDerWaalsContact O-CB 3.27Å; L449-T453 WeakPolarHBondContact O-CB 3.43Å; L449-T453 PolarHBondContact O-N 3.21Å; L449-T453 PolarHBondContact O-OG1 3.32Å
450Q98.8Very high98.8Very high10 Ų1016.4 Ų16.45%0.0478%0.081CC..Hα-helixtrans-63.5-47.7176.6-71.7166.1-26.200111.5M6 H365 P368 V397 S446 V448 T453 L454M6-Q450 HydrophobicContact CE-CG 3.86Å; M6-Q450 HydrophobicContact SD-CG 3.54Å; M6-Q450 VanDerWaalsContact SD-CG 3.54Å; H365-Q450 PolarHBondContact O-NE2 2.92Å; P368-Q450 HydrophobicContact CG-CB 4.38Å; V397-Q450 HydrophobicContact CG1-CB 4.2Å; S446-Q450 WeakPolarHBondContact O-CB 3.37Å; S446-Q450 WeakPolarHBondContact O-CG 3.49Å; S446-Q450 PolarHBondContact O-N 3Å; S446-Q450 PolarHBondContact O-OE1 2.97Å; S446-Q450 PolarHBondContact OG-OE1 3.43Å; V448-Q450 VanDerWaalsContact C-N 3.35Å; V448-Q450 PolarHBondContact O-N 3.22Å; Q450-T453 PolarHBondContact O-N 3.13Å; Q450-L454 WeakPolarHBondContact O-CB 3.18Å; Q450-L454 PolarHBondContact O-N 3.47Å
451S98.9Very high98.8Very high4 Ų416.4 Ų16.43%0.0288%0.084CC..Hα-helixtrans-65.5-45.5177.8-68.60000112.1S447 V448 T453 L454 F455S447-S451 VanDerWaalsContact O-CB 3.28Å; S447-S451 WeakPolarHBondContact O-CB 3.28Å; S447-S451 PolarHBondContact O-N 3.27Å; S447-S451 PolarHBondContact O-OG 2.89Å; S447-S451 VanDerWaalsContact O-OG 3.11Å; V448-S451 PolarHBondContact O-N 3.16Å; S451-T453 VanDerWaalsContact C-N 3.34Å; S451-T453 PolarHBondContact O-N 3.22Å; S451-L454 PolarHBondContact O-N 3.21Å; S451-F455 WeakPolarHBondContact O-CB 3.46Å; S451-F455 WeakPolarHBondContact O-CG 3.34Å; S451-F455 PolarHBondContact O-N 2.66Å
452T98.8Very high98.8Very high4 Ų416.2 Ų16.23%0.0258%0.082CC..Hα-helixtrans-60-43.5176.2-59.70000111.7Q272 V448 L454 F455 K456Q272-T452 HydrophobicContact CB-CG2 3.73Å; V448-T452 PolarHBondContact O-N 3.04Å; V448-T452 PolarHBondContact O-OG1 3.19Å; V448-T452 VanDerWaalsContact O-OG1 3.09Å; T452-L454 PolarHBondContact O-N 2.84Å; T452-F455 PolarHBondContact O-N 3Å; T452-K456 WeakPolarHBondContact O-CB 3.22Å; T452-K456 PolarHBondContact O-N 3.37Å
453T98.9Very high98.7Very high41 Ų4114.6 Ų14.625%0.2528%0.076SC..Hα-helixtrans-61.9-43.7177-57.70000111.4V395 V397 L449 Q450 S451 G457V395-T453 HydrophobicContact CB-CG2 4.21Å; V395-T453 HydrophobicContact CG2-CG2 4.24Å; V397-T453 HydrophobicContact CG2-CG2 3.7Å; L449-T453 VanDerWaalsContact O-CB 3.27Å; L449-T453 WeakPolarHBondContact O-CB 3.43Å; L449-T453 PolarHBondContact O-N 3.21Å; L449-T453 PolarHBondContact O-OG1 3.32Å; Q450-T453 PolarHBondContact O-N 3.13Å; S451-T453 VanDerWaalsContact C-N 3.34Å; S451-T453 PolarHBondContact O-N 3.22Å; T453-G457 PolarHBondContact O-N 2.83Å
454L98.9Very high98.7Very high1 Ų117.3 Ų17.31%0.00510%0.095CC..Hα-helixtrans-62.7-45.617717962.2000111.8P368 V388 V391 A392 V397 L399 I429 Q450 S451 T452 G457 F458P368-L454 HydrophobicContact CB-CD2 4.21Å; P368-L454 HydrophobicContact CG-CD2 4.08Å; V388-L454 HydrophobicContact CG1-CD1 4.31Å; V388-L454 HydrophobicContact CG1-CD2 4.26Å; V391-L454 HydrophobicContact CB-CD1 4.43Å; V391-L454 HydrophobicContact CG1-CD1 3.91Å; A392-L454 HydrophobicContact CB-CD1 3.75Å; V397-L454 HydrophobicContact CG1-CB 4.32Å; L399-L454 HydrophobicContact CD2-CD2 3.94Å; I429-L454 HydrophobicContact CD1-CD2 3.56Å; Q450-L454 WeakPolarHBondContact O-CB 3.18Å; Q450-L454 PolarHBondContact O-N 3.47Å; S451-L454 PolarHBondContact O-N 3.21Å; T452-L454 PolarHBondContact O-N 2.84Å; L454-G457 PolarHBondContact O-N 3.4Å; L454-F458 WeakPolarHBondContact O-CB 3.35Å; L454-F458 PolarHBondContact O-N 3.18Å
455F98.9Very high98.6Very high3 Ų317.6 Ų17.61%0.01310%0.096CC..Hα-helixtrans-68-41.9-178.5-68.2-15000112.7I88 C269 A270 I340 A342 I429 S451 T452 F458 F459I88-F455 HydrophobicContact CD1-CB 3.49Å; I88-F455 VanDerWaalsContact CD1-CB 3.49Å; I88-F455 HydrophobicContact CD1-CD1 3.69Å; I88-F455 HydrophobicContact CD1-CD2 4.11Å; I88-F455 HydrophobicContact CD1-CE1 4.41Å; I88-F455 HydrophobicContact CD1-CG 3.51Å; I88-F455 HydrophobicContact CG2-CE2 4.4Å; I88-F455 HydrophobicContact CG2-CZ 4.36Å; C269-F455 VanDerWaalsContact C-CD2 3.5Å; C269-F455 HydrophobicContact CB-CD2 3.74Å; C269-F455 HydrophobicContact CB-CE2 3.65Å; A270-F455 HydrophobicContact CB-CD2 4.35Å; A270-F455 HydrophobicContact CB-CE2 4.41Å; I340-F455 HydrophobicContact CD1-CD1 4.21Å; I340-F455 HydrophobicContact CD1-CE1 4.35Å; I340-F455 HydrophobicContact CG2-CE1 3.92Å; A342-F455 HydrophobicContact CB-CE1 4.39Å; A342-F455 HydrophobicContact CB-CE2 4.13Å; A342-F455 HydrophobicContact CB-CZ 3.54Å; I429-F455 HydrophobicContact CD1-CE1 3.57Å; I429-F455 HydrophobicContact CD1-CZ 4.26Å; I429-F455 HydrophobicContact CG1-CE1 4.22Å; S451-F455 WeakPolarHBondContact O-CB 3.46Å; S451-F455 WeakPolarHBondContact O-CG 3.34Å; S451-F455 PolarHBondContact O-N 2.66Å; T452-F455 PolarHBondContact O-N 3Å; F455-F458 WeakPolarHBondContact O-CB 3.38Å; F455-F458 PolarHBondContact O-N 3.48Å; F455-F459 WeakPolarHBondContact O-CD2 3.25Å; F455-F459 PolarHBondContact O-N 2.84Å; F455-F459 VanDerWaalsContact O-N 3.12Å
456K98.8Very high98.5Very high66 Ų6621.1 Ų21.129%0.28711%0.109SC..Hα-helixtrans-57-51169.6-179.9-173.2178.4174.70110.9E276 T452 F458 F459 E460E276-K456 HydrophobicContact CB-CD 3.91Å; E276-K456 HydrophobicContact CB-CG 4.33Å; E276-K456 WeakPolarHBondContact O-CE 3.22Å; T452-K456 WeakPolarHBondContact O-CB 3.22Å; T452-K456 PolarHBondContact O-N 3.37Å; K456-F458 VanDerWaalsContact C-N 3.28Å; K456-F458 PolarHBondContact O-N 3.35Å; K456-F459 PolarHBondContact O-N 2.82Å; K456-E460 VanDerWaalsContact CE-OE1 3.29Å; K456-E460 WeakPolarHBondContact CE-OE1 3.25Å; K456-E460 WeakPolarHBondContact O-CG 3.32Å; K456-E460 PolarHBondContact O-N 3.04Å; K456-E460 VanDerWaalsContact O-N 3.11Å
457G98.7Very high98.4Very high1 Ų127.3 Ų27.31%0.0114%0.141CC..Hα-helixtrans-58-39.6178.200000113T453 L454 E460 L461T453-G457 PolarHBondContact O-N 2.83Å; L454-G457 PolarHBondContact O-N 3.4Å; G457-E460 PolarHBondContact O-N 3.45Å; G457-L461 WeakPolarHBondContact O-CB 3.49Å; G457-L461 VanDerWaalsContact O-CG 3.26Å; G457-L461 WeakPolarHBondContact O-CG 3.45Å; G457-L461 PolarHBondContact O-N 3.03Å
458F98.9Very high98.2Very high1 Ų131.1 Ų31.10%0.00417%0.168CC..Hα-helixtrans-60.1-49.3176.1165.3-105.7000111.2M87 I88 F338 I340 V391 L454 F455 K456 E460 L461 F462M87-F458 WeakPolarHBondContact O-CE1 3.02Å; I88-F458 HydrophobicContact CD1-CD1 3.98Å; I88-F458 HydrophobicContact CG1-CD1 3.89Å; I88-F458 HydrophobicContact CG1-CE1 3.92Å; F338-F458 HydrophobicContact CB-CE2 4.44Å; F338-F458 HydrophobicContact CB-CZ 4.44Å; F338-F458 AromaticContact CD1-CE2 3.5Å; F338-F458 HydrophobicContact CD1-CE2 3.5Å; F338-F458 VanDerWaalsContact CD1-CE2 3.5Å; F338-F458 AromaticContact CD1-CZ 3.8Å; F338-F458 HydrophobicContact CD1-CZ 3.8Å; F338-F458 HydrophobicContact CE1-CE2 4.1Å; F338-F458 HydrophobicContact CG-CE2 4.29Å; I340-F458 HydrophobicContact CD1-CB 3.89Å; I340-F458 HydrophobicContact CD1-CD1 3.81Å; I340-F458 HydrophobicContact CD1-CD2 3.79Å; I340-F458 HydrophobicContact CD1-CE1 4.28Å; I340-F458 HydrophobicContact CD1-CE2 4.28Å; I340-F458 HydrophobicContact CD1-CG 3.53Å; I340-F458 HydrophobicContact CD1-CZ 4.5Å; I340-F458 HydrophobicContact CG1-CD1 4.38Å; I340-F458 HydrophobicContact CG1-CD2 4.28Å; I340-F458 HydrophobicContact CG1-CE1 4.35Å; I340-F458 HydrophobicContact CG1-CE2 4.27Å; I340-F458 HydrophobicContact CG1-CG 4.33Å; I340-F458 HydrophobicContact CG1-CZ 4.3Å; V391-F458 HydrophobicContact CG1-CB 4.2Å; L454-F458 WeakPolarHBondContact O-CB 3.35Å; L454-F458 PolarHBondContact O-N 3.18Å; F455-F458 WeakPolarHBondContact O-CB 3.38Å; F455-F458 PolarHBondContact O-N 3.48Å; K456-F458 VanDerWaalsContact C-N 3.28Å; K456-F458 PolarHBondContact O-N 3.35Å; F458-E460 VanDerWaalsContact C-N 3.3Å; F458-E460 PolarHBondContact O-N 3.31Å; F458-L461 PolarHBondContact O-N 2.94Å; F458-F462 HydrophobicContact CD2-CB 3.91Å; F458-F462 HydrophobicContact CD2-CD2 4.47Å; F458-F462 HydrophobicContact CD2-CG 4.37Å; F458-F462 HydrophobicContact CE2-CB 3.76Å; F458-F462 AromaticContact CE2-CD2 3.79Å; F458-F462 HydrophobicContact CE2-CD2 3.79Å; F458-F462 AromaticContact CE2-CG 3.75Å; F458-F462 HydrophobicContact CE2-CG 3.75Å; F458-F462 HydrophobicContact CZ-CB 4.42Å; F458-F462 HydrophobicContact CZ-CG 4.3Å; F458-F462 WeakPolarHBondContact O-CB 3.3Å; F458-F462 PolarHBondContact O-N 3.17Å
459F98.9Very high98.1Very high0 Ų033.2 Ų33.20%018%0.179CC..Hα-helixtrans-60-39.4178.1-72.5-52.6000112.8S86 I88 L274 R290 I292 F455 K456S86-F459 VanDerWaalsContact O-CE1 3.29Å; S86-F459 WeakPolarHBondContact O-CE1 3.26Å; I88-F459 HydrophobicContact CB-CZ 4.3Å; I88-F459 HydrophobicContact CD1-CD2 4.36Å; I88-F459 HydrophobicContact CD1-CE1 4.24Å; I88-F459 HydrophobicContact CD1-CE2 3.56Å; I88-F459 HydrophobicContact CD1-CZ 3.5Å; I88-F459 HydrophobicContact CG1-CE1 4.06Å; I88-F459 HydrophobicContact CG1-CE2 4.22Å; I88-F459 HydrophobicContact CG1-CZ 3.61Å; L274-F459 HydrophobicContact CB-CE2 3.82Å; L274-F459 HydrophobicContact CB-CZ 4.22Å; L274-F459 HydrophobicContact CD1-CE2 4.32Å; L274-F459 HydrophobicContact CD1-CZ 4.24Å; R290-F459 HydrophobicContact CB-CD1 3.69Å; R290-F459 HydrophobicContact CB-CE1 4.05Å; R290-F459 HydrophobicContact CB-CG 4.32Å; R290-F459 HydrophobicContact CG-CB 4.11Å; R290-F459 HydrophobicContact CG-CD1 3.81Å; R290-F459 HydrophobicContact CG-CG 4.22Å; R290-F459 PolarHBondContact NE-O 2.81Å; I292-F459 HydrophobicContact CG2-CE2 4.48Å; I292-F459 HydrophobicContact CG2-CZ 3.9Å; F455-F459 WeakPolarHBondContact O-CD2 3.25Å; F455-F459 PolarHBondContact O-N 2.84Å; F455-F459 VanDerWaalsContact O-N 3.12Å; K456-F459 PolarHBondContact O-N 2.82Å
460E98.5Very high97.8Very high74 Ų7437.9 Ų37.935%0.34621%0.208SC..Hα-helixtrans-77.8-34.7-177.6-66.2-179.2158.600113.4K456 G457 F458K456-E460 VanDerWaalsContact CE-OE1 3.29Å; K456-E460 WeakPolarHBondContact CE-OE1 3.25Å; K456-E460 WeakPolarHBondContact O-CG 3.32Å; K456-E460 PolarHBondContact O-N 3.04Å; K456-E460 VanDerWaalsContact O-N 3.11Å; G457-E460 PolarHBondContact O-N 3.45Å; F458-E460 VanDerWaalsContact C-N 3.3Å; F458-E460 PolarHBondContact O-N 3.31Å
461L98.6Very high97.5Very high39 Ų3940.8 Ų40.820%0.20423%0.226CC..Hα-helixtrans-104.5-24-167.9-60.3170.5000113.7R394 V395 G457 F458 S464 I465R394-L461 HydrophobicContact CB-CD1 3.79Å; V395-L461 HydrophobicContact CG1-CD1 3.92Å; G457-L461 WeakPolarHBondContact O-CB 3.49Å; G457-L461 VanDerWaalsContact O-CG 3.26Å; G457-L461 WeakPolarHBondContact O-CG 3.45Å; G457-L461 PolarHBondContact O-N 3.03Å; F458-L461 PolarHBondContact O-N 2.94Å; L461-S464 PolarHBondContact O-N 3.4Å; L461-S464 VanDerWaalsContact O-N 3.09Å; L461-S464 PolarHBondContact O-OG 3Å; L461-I465 HydrophobicContact CB-CD1 3.85Å; L461-I465 PolarHBondContact O-N 2.9Å; L461-I465 VanDerWaalsContact O-N 3.1Å
462F98.6Very high96.8Very high0 Ų051.2 Ų51.20%028%0.282CS..Hα-helixtrans-53.1-46.6-172.8171.6-105.5000114S86 F338 V387 F458 S464 I465 R466S86-F462 WeakPolarHBondContact OG-CD1 3Å; F338-F462 HydrophobicContact CB-CD1 4.5Å; F338-F462 HydrophobicContact CB-CD2 3.99Å; F338-F462 HydrophobicContact CB-CE1 3.83Å; F338-F462 HydrophobicContact CB-CE2 3.23Å; F338-F462 HydrophobicContact CB-CZ 3.15Å; F338-F462 HydrophobicContact CD1-CE2 4.47Å; F338-F462 AromaticContact CD2-CE2 3.97Å; F338-F462 HydrophobicContact CD2-CE2 3.97Å; F338-F462 HydrophobicContact CG-CD2 4.27Å; F338-F462 AromaticContact CG-CE2 3.68Å; F338-F462 HydrophobicContact CG-CE2 3.68Å; F338-F462 HydrophobicContact CG-CZ 4.11Å; V387-F462 HydrophobicContact CG1-CD2 3.89Å; V387-F462 HydrophobicContact CG1-CE2 4.18Å; F458-F462 HydrophobicContact CD2-CB 3.91Å; F458-F462 HydrophobicContact CD2-CD2 4.47Å; F458-F462 HydrophobicContact CD2-CG 4.37Å; F458-F462 HydrophobicContact CE2-CB 3.76Å; F458-F462 AromaticContact CE2-CD2 3.79Å; F458-F462 HydrophobicContact CE2-CD2 3.79Å; F458-F462 AromaticContact CE2-CG 3.75Å; F458-F462 HydrophobicContact CE2-CG 3.75Å; F458-F462 HydrophobicContact CZ-CB 4.42Å; F458-F462 HydrophobicContact CZ-CG 4.3Å; F458-F462 WeakPolarHBondContact O-CB 3.3Å; F458-F462 PolarHBondContact O-N 3.17Å; F462-S464 VanDerWaalsContact C-N 3.26Å; F462-S464 PolarHBondContact O-N 3.46Å; F462-I465 PolarHBondContact O-N 3.01Å; F462-I465 VanDerWaalsContact O-N 3.14Å; F462-R466 HydrophobicContact CD2-CB 4.42Å; F462-R466 HydrophobicContact CE1-CB 4.31Å; F462-R466 HydrophobicContact CE2-CB 3.86Å; F462-R466 HydrophobicContact CE2-CG 4.4Å; F462-R466 HydrophobicContact CZ-CB 3.78Å; F462-R466 HydrophobicContact CZ-CG 3.96Å; F462-R466 WeakPolarHBondContact O-CB 3.39Å; F462-R466 PolarHBondContact O-N 3.34Å
463P98Very high96.7Very high12 Ų1253.6 Ų53.68%0.07830%0.295CS..Hα-helixtrans-56.9-40.3179.7-25.134000113.1P287 N288 N467P287-P463 HydrophobicContact CG-CB 3.7Å; P287-P463 HydrophobicContact CG-CG 4.2Å; N288-P463 HydrophobicContact CB-CG 4.27Å; P463-N467 VanDerWaalsContact O-CG 3.26Å; P463-N467 PolarHBondContact O-N 3.12Å; P463-N467 PolarHBondContact O-ND2 3.27Å
464S97.6Very high96.6Very high57 Ų5754.3 Ų54.340%0.39930%0.297SS..Hα-helixtrans-69.6-41178.475.10000112.4L461 F462 N467 S468L461-S464 PolarHBondContact O-N 3.4Å; L461-S464 VanDerWaalsContact O-N 3.09Å; L461-S464 PolarHBondContact O-OG 3Å; F462-S464 VanDerWaalsContact C-N 3.26Å; F462-S464 PolarHBondContact O-N 3.46Å; S464-N467 PolarHBondContact O-N 2.72Å; S464-S468 PolarHBondContact O-N 3.06Å
465I98.1Very high96.5Very high6 Ų657.2 Ų57.23%0.03131%0.314CS..Hα-helixtrans-67.9-43.7179.7-67.7167.9000109.9V387 E390 V391 L461 F462 N467 S468 L469V387-I465 HydrophobicContact CG1-CG2 4.21Å; E390-I465 HydrophobicContact CB-CD1 4.3Å; E390-I465 HydrophobicContact CB-CG2 4.39Å; E390-I465 HydrophobicContact CG-CD1 3.8Å; E390-I465 HydrophobicContact CG-CG1 3.92Å; E390-I465 HydrophobicContact CG-CG2 4.14Å; V391-I465 HydrophobicContact CB-CD1 4.37Å; V391-I465 HydrophobicContact CG2-CD1 3.44Å; V391-I465 VanDerWaalsContact CG2-CD1 3.44Å; L461-I465 HydrophobicContact CB-CD1 3.85Å; L461-I465 PolarHBondContact O-N 2.9Å; L461-I465 VanDerWaalsContact O-N 3.1Å; F462-I465 PolarHBondContact O-N 3.01Å; F462-I465 VanDerWaalsContact O-N 3.14Å; I465-N467 VanDerWaalsContact C-N 3.27Å; I465-N467 PolarHBondContact O-N 2.65Å; I465-S468 PolarHBondContact O-N 3.43Å; I465-S468 PolarHBondContact O-OG 3.26Å; I465-L469 PolarHBondContact O-N 3.28Å
466R96.3Very high96.3Very high78 Ų7860.4 Ų60.429%0.29433%0.331SS..Hα-helixtrans-59.2-37.6177.6178.359.2-174.693.2-6112.6P335 F462 S468 L469P335-R466 PolarHBondContact O-NH2 3.12Å; F462-R466 HydrophobicContact CD2-CB 4.42Å; F462-R466 HydrophobicContact CE1-CB 4.31Å; F462-R466 HydrophobicContact CE2-CB 3.86Å; F462-R466 HydrophobicContact CE2-CG 4.4Å; F462-R466 HydrophobicContact CZ-CB 3.78Å; F462-R466 HydrophobicContact CZ-CG 3.96Å; F462-R466 WeakPolarHBondContact O-CB 3.39Å; F462-R466 PolarHBondContact O-N 3.34Å; R466-S468 PolarHBondContact O-N 3.33Å; R466-L469 WeakPolarHBondContact O-CB 3.3Å; R466-L469 PolarHBondContact O-N 3.32Å
467N95.7Very high96.2Very high140 Ų14060.1 Ų60.175%0.74933%0.334SS*.Hα-helixtrans-68.7-22.6176.6-72.4-17.2000113.2P463 S464 I465P463-N467 VanDerWaalsContact O-CG 3.26Å; P463-N467 PolarHBondContact O-N 3.12Å; P463-N467 PolarHBondContact O-ND2 3.27Å; S464-N467 PolarHBondContact O-N 2.72Å; I465-N467 VanDerWaalsContact C-N 3.27Å; I465-N467 PolarHBondContact O-N 2.65Å
468S95.8Very high96Very high80 Ų8064 Ų6456%0.55936%0.356SS*.Hα-helixtrans-89-10.2174.668.60000113.9S464 I465 R466S464-S468 PolarHBondContact O-N 3.06Å; I465-S468 PolarHBondContact O-N 3.43Å; I465-S468 PolarHBondContact O-OG 3.26Å; R466-S468 PolarHBondContact O-N 3.33Å
469L95.4Very high95.8Very high45 Ų4568.5 Ų68.524%0.23638%0.381CS..  trans-85.1120.8-176.9-17570.3000110.9V383 V387 I465 R466 V471V383-L469 HydrophobicContact CG1-CD1 4.49Å; V383-L469 HydrophobicContact CG1-CD2 3.87Å; V387-L469 HydrophobicContact CG2-CD2 4.14Å; I465-L469 PolarHBondContact O-N 3.28Å; R466-L469 WeakPolarHBondContact O-CB 3.3Å; R466-L469 PolarHBondContact O-N 3.32Å; L469-V471 HydrophobicContact CD1-CG1 3.77Å; L469-V471 HydrophobicContact CD2-CG2 4.17Å; L469-V471 HydrophobicContact CG-CG1 4.03Å; L469-V471 HydrophobicContact CG-CG2 4.12Å
470V93.8Very high95.6Very high134 Ų13473.8 Ų73.881%0.81241%0.41SS*.  trans-120.5104.6175.6-175.30000108.2
471V90.8Very high95.3Very high70 Ų7073.8 Ų73.842%0.42442%0.415SS..  trans-138.1-12.4-177.4-66.50000113.5V383 L469V383-V471 HydrophobicContact CG1-CG1 4.22Å; V383-V471 HydrophobicContact CG1-CG2 4.07Å; V383-V471 HydrophobicContact CG2-CB 4.36Å; V383-V471 HydrophobicContact CG2-CG1 4.02Å; L469-V471 HydrophobicContact CD1-CG1 3.77Å; L469-V471 HydrophobicContact CD2-CG2 4.17Å; L469-V471 HydrophobicContact CG-CG1 4.03Å; L469-V471 HydrophobicContact CG-CG2 4.12Å
472D85.4Confident95Very high224 Ų22476.9 Ų76.9100%1.19844%0.435SS*.  trans-155.80173.1-71-60.8000110.4

Retrieved 472 of 472 residues in 123.4 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).