T1VXV7_SCHMA Loading...

protein acetyllysine N-acetyltransferase

AlphaFold DB , UniProt , Accession T1VXV7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene Sirt6, Length 386 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
1M53.8Low78.3Confident99 Ų9960.2 Ų60.249%0.48831%0.312SS..  0144.10-71.9-160.4-65.300107.8V3 D4 Y5 S83M1-V3 PolarHBondContact O-N 3.07Å; M1-D4 HydrophobicContact CB-CB 4.31Å; M1-D4 WeakPolarHBondContact O-CA 3.4Å; M1-D4 VanDerWaalsContact O-CB 3.23Å; M1-D4 WeakPolarHBondContact O-CB 3Å; M1-D4 PolarHBondContact O-N 3.45Å; M1-Y5 PolarHBondContact O-N 2.8Å; M1-S83 WeakPolarHBondContact CA-OG 3.46Å; M1-S83 WeakPolarHBondContact CB-OG 3.38Å; M1-S83 WeakPolarHBondContact CG-OG 3.38Å; M1-S83 VanDerWaalsContact SD-CB 3.56Å
2S56Low79.3Confident3 Ų361.9 Ų61.92%0.02131%0.312CS..Hα-helixtrans-61.6-27.6177.156.30000112.6D4 Y5 A6 P62 F86S2-D4 VanDerWaalsContact C-N 3.25Å; S2-D4 PolarHBondContact O-N 2.88Å; S2-Y5 WeakPolarHBondContact O-CB 3.49Å; S2-Y5 PolarHBondContact O-N 3.05Å; S2-A6 PolarHBondContact O-N 2.79Å; S2-P62 VanDerWaalsContact OG-CD 3.22Å; S2-P62 WeakPolarHBondContact OG-CD 3.47Å; S2-P62 WeakPolarHBondContact OG-CG 3.18Å; S2-F86 VanDerWaalsContact CA-CZ 3.48Å
3V61.9Low80.1Confident25 Ų2564.5 Ų64.515%0.15234%0.336CS..Hα-helixtrans-60.3-35.5169.8-163.20000111.8M1 S7 P62M1-V3 PolarHBondContact O-N 3.07Å; V3-S7 PolarHBondContact O-N 3.16Å; V3-S7 PolarHBondContact O-OG 3.03Å; V3-P62 HydrophobicContact CG2-CG 4.31Å
4D74.6Confident81Confident75 Ų7567.7 Ų67.740%0.40135%0.354SS..Hα-helixtrans-72.8-35.8177.5-171.646.7000111.5M1 S2 S7 K8M1-D4 HydrophobicContact CB-CB 4.31Å; M1-D4 WeakPolarHBondContact O-CA 3.4Å; M1-D4 VanDerWaalsContact O-CB 3.23Å; M1-D4 WeakPolarHBondContact O-CB 3Å; M1-D4 PolarHBondContact O-N 3.45Å; S2-D4 VanDerWaalsContact C-N 3.25Å; S2-D4 PolarHBondContact O-N 2.88Å; D4-S7 WeakPolarHBondContact CA-OG 3.43Å; D4-S7 PolarHBondContact O-OG 3.09Å; D4-K8 VanDerWaalsContact O-CG 3.3Å; D4-K8 WeakPolarHBondContact O-CG 3.48Å; D4-K8 PolarHBondContact O-N 3.01Å; D4-K8 WeakPolarHBondContact OD1-CE 3.43Å; D4-K8 IonicContact OD1-NZ 3.34Å; D4-K8 VanDerWaalsContact OD2-CE 3.25Å; D4-K8 WeakPolarHBondContact OD2-CE 3.35Å; D4-K8 IonicContact OD2-NZ 2.73Å; D4-K8 PolarHBondContact OD2-NZ 3.2Å
5Y80.3Confident81.9Confident26 Ų2664.3 Ų64.310%0.10234%0.335CS..Hα-helixtrans-58.8-53.3170.2155.1-101.7000110.9M1 S2 S7 K8 L9 F64 I115 V157 I184M1-Y5 PolarHBondContact O-N 2.8Å; S2-Y5 WeakPolarHBondContact O-CB 3.49Å; S2-Y5 PolarHBondContact O-N 3.05Å; Y5-S7 VanDerWaalsContact C-N 3.26Å; Y5-S7 PolarHBondContact O-N 3.18Å; Y5-K8 PolarHBondContact O-N 2.89Å; Y5-L9 HydrophobicContact CD2-CD2 4.47Å; Y5-L9 HydrophobicContact CE1-CD1 3.9Å; Y5-L9 HydrophobicContact CE1-CG 4.45Å; Y5-L9 HydrophobicContact CE2-CD1 4.22Å; Y5-L9 HydrophobicContact CE2-CD2 3.62Å; Y5-L9 HydrophobicContact CE2-CG 4.03Å; Y5-L9 PolarHBondContact O-N 3.09Å; Y5-F64 HydrophobicContact CD1-CE1 4.15Å; Y5-F64 HydrophobicContact CD1-CZ 4.31Å; Y5-F64 AromaticContact CE1-CE1 3.83Å; Y5-F64 HydrophobicContact CE1-CE1 3.83Å; Y5-F64 AromaticContact CE1-CZ 3.9Å; Y5-F64 HydrophobicContact CE1-CZ 3.9Å; Y5-I115 HydrophobicContact CD1-CD1 3.51Å; Y5-I115 HydrophobicContact CD2-CD1 3.43Å; Y5-I115 VanDerWaalsContact CD2-CD1 3.43Å; Y5-I115 HydrophobicContact CE1-CD1 3.73Å; Y5-I115 HydrophobicContact CE2-CD1 3.7Å; Y5-I115 HydrophobicContact CG-CD1 3.34Å; Y5-V157 HydrophobicContact CD2-CB 4.26Å; Y5-V157 HydrophobicContact CD2-CG1 3.69Å; Y5-V157 HydrophobicContact CE2-CB 4.47Å; Y5-V157 HydrophobicContact CE2-CG1 4.37Å; Y5-I184 HydrophobicContact CD2-CG2 3.72Å; Y5-I184 HydrophobicContact CE2-CG2 3.27Å
6A83.5Confident82.7Confident13 Ų1361.5 Ų61.511%0.10733%0.327CS..Hα-helixtrans-59.2-36.4-176.300000113.1S2 K8 V70 W71S2-A6 PolarHBondContact O-N 2.79Å; A6-K8 PolarHBondContact O-N 3.15Å; A6-V70 HydrophobicContact CB-CG1 3.43Å; A6-V70 VanDerWaalsContact CB-CG1 3.43Å; A6-W71 HydrophobicContact CB-CH2 3.33Å; A6-W71 HydrophobicContact CB-CZ2 4.23Å; A6-W71 HydrophobicContact CB-CZ3 3.54Å
7S85.6Confident83.5Confident82 Ų8262.7 Ų62.757%0.57334%0.337SS*.THydrogen-bonded Turntrans-71.5-13.9176.853.50000115V3 D4 Y5V3-S7 PolarHBondContact O-N 3.16Å; V3-S7 PolarHBondContact O-OG 3.03Å; D4-S7 WeakPolarHBondContact CA-OG 3.43Å; D4-S7 PolarHBondContact O-OG 3.09Å; Y5-S7 VanDerWaalsContact C-N 3.26Å; Y5-S7 PolarHBondContact O-N 3.18Å
8K89.7Confident84.2Confident59 Ų5960.5 Ų60.526%0.25733%0.326SS..THydrogen-bonded Turntrans-97.2-10.1-179.7-67172-172.51740113.3D4 Y5 A6 G155 V157D4-K8 VanDerWaalsContact O-CG 3.3Å; D4-K8 WeakPolarHBondContact O-CG 3.48Å; D4-K8 PolarHBondContact O-N 3.01Å; D4-K8 WeakPolarHBondContact OD1-CE 3.43Å; D4-K8 IonicContact OD1-NZ 3.34Å; D4-K8 VanDerWaalsContact OD2-CE 3.25Å; D4-K8 WeakPolarHBondContact OD2-CE 3.35Å; D4-K8 IonicContact OD2-NZ 2.73Å; D4-K8 PolarHBondContact OD2-NZ 3.2Å; Y5-K8 PolarHBondContact O-N 2.89Å; A6-K8 PolarHBondContact O-N 3.15Å; K8-G155 PolarHBondContact NZ-O 3.07Å; K8-V157 VanDerWaalsContact C-CG2 3.47Å; K8-V157 HydrophobicContact CB-CB 4.36Å; K8-V157 HydrophobicContact CB-CG1 4.04Å; K8-V157 HydrophobicContact CB-CG2 3.36Å; K8-V157 HydrophobicContact CD-CG1 4.1Å; K8-V157 VanDerWaalsContact O-CG2 3.3Å; K8-V157 WeakPolarHBondContact O-CG2 3.48Å
9L91.5Very high84.8Confident20 Ų2059.1 Ų59.111%0.10533%0.328CS..SBendtrans-70.8155.9175.7-67-178.8000111.7Y5 W71 V157 W187Y5-L9 HydrophobicContact CD2-CD2 4.47Å; Y5-L9 HydrophobicContact CE1-CD1 3.9Å; Y5-L9 HydrophobicContact CE1-CG 4.45Å; Y5-L9 HydrophobicContact CE2-CD1 4.22Å; Y5-L9 HydrophobicContact CE2-CD2 3.62Å; Y5-L9 HydrophobicContact CE2-CG 4.03Å; Y5-L9 PolarHBondContact O-N 3.09Å; L9-W71 HydrophobicContact CD1-CH2 3.85Å; L9-W71 HydrophobicContact CD1-CZ2 4Å; L9-V157 HydrophobicContact CD2-CG2 4.07Å; L9-W187 HydrophobicContact CD1-CZ2 3.85Å
10S93Very high85.4Confident67 Ų6759 Ų5947%0.46933%0.326SS..PPolyproline II helixtrans-61.9152.4167.6-63.40000111Y12 D186 W187S10-Y12 PolarHBondContact O-N 3.05Å; S10-D186 VanDerWaalsContact CB-OD2 3.23Å; S10-D186 WeakPolarHBondContact CB-OD2 3.38Å; S10-D186 PolarHBondContact N-OD1 3.3Å; S10-D186 PolarHBondContact N-OD2 2.94Å; S10-D186 PolarHBondContact OG-OD2 3.21Å; S10-W187 PolarHBondContact O-NE1 3.01Å
11Y91.9Very high85.9Confident193 Ų19360.7 Ų60.776%0.75734%0.34SS*.PPolyproline II helixtrans-60.8133.6173.8174.8-99.2000109.8P13Y11-P13 HydrophobicContact CE1-CB 4.26Å
12Y89.8Confident88Confident81 Ų8160.9 Ų60.932%0.31834%0.34SS..  trans-146.3118.9177.6-166.8-101.2000110.2S10 N14 K15 W187S10-Y12 PolarHBondContact O-N 3.05Å; Y12-N14 HydrophobicContact CD1-CB 4.34Å; Y12-N14 VanDerWaalsContact CD1-O 3.31Å; Y12-N14 WeakPolarHBondContact CD1-O 3.33Å; Y12-N14 HydrophobicContact CE1-CB 3.79Å; Y12-N14 WeakPolarHBondContact CE1-O 3.18Å; Y12-K15 WeakPolarHBondContact O-CE 3.46Å; Y12-K15 PolarHBondContact O-NZ 2.96Å; Y12-W187 VanDerWaalsContact CB-CD1 3.43Å; Y12-W187 VanDerWaalsContact CB-CG 3.46Å; Y12-W187 AromaticContact CD1-CD2 3.76Å; Y12-W187 HydrophobicContact CD1-CD2 3.76Å; Y12-W187 AromaticContact CD1-CE3 3.62Å; Y12-W187 HydrophobicContact CD1-CE3 3.62Å; Y12-W187 HydrophobicContact CD1-CG 4.19Å; Y12-W187 HydrophobicContact CD1-CZ3 4.12Å; Y12-W187 HydrophobicContact CD2-CB 3.68Å; Y12-W187 HydrophobicContact CD2-CD2 4.29Å; Y12-W187 AromaticContact CD2-CG 3.84Å; Y12-W187 HydrophobicContact CD2-CG 3.84Å; Y12-W187 HydrophobicContact CE1-CE3 4.02Å; Y12-W187 HydrophobicContact CE2-CB 4.15Å; Y12-W187 HydrophobicContact CG-CB 3.95Å; Y12-W187 AromaticContact CG-CD2 3.63Å; Y12-W187 HydrophobicContact CG-CD2 3.63Å; Y12-W187 AromaticContact CG-CE3 3.98Å; Y12-W187 HydrophobicContact CG-CE3 3.98Å; Y12-W187 AromaticContact CG-CG 3.59Å; Y12-W187 HydrophobicContact CG-CG 3.59Å
13P89.8Confident90Very high96 Ų9663.9 Ų63.962%0.62336%0.358SS*.SBendtrans-71.7-34.8-170.426.1-33.6000112.7Y11 K15Y11-P13 HydrophobicContact CE1-CB 4.26Å; P13-K15 PolarHBondContact O-N 2.84Å
14N92.9Very high91.7Very high109 Ų10968.3 Ų68.358%0.58338%0.38SS*.  trans-90.884.3-175-174.86.6000112.1Y12 G16Y12-N14 HydrophobicContact CD1-CB 4.34Å; Y12-N14 VanDerWaalsContact CD1-O 3.31Å; Y12-N14 WeakPolarHBondContact CD1-O 3.33Å; Y12-N14 HydrophobicContact CE1-CB 3.79Å; Y12-N14 WeakPolarHBondContact CE1-O 3.18Å; N14-G16 PolarHBondContact O-N 3.12Å; N14-G16 PolarHBondContact OD1-N 3.21Å; N14-G16 VanDerWaalsContact OD1-N 3.07Å
15K93.7Very high92.8Very high17 Ų1765.9 Ų65.97%0.07437%0.367CS..  trans-81.21.5172.7-54.1-59.8-170.7-1730113.6Y12 P13 R65 W71 W187Y12-K15 WeakPolarHBondContact O-CE 3.46Å; Y12-K15 PolarHBondContact O-NZ 2.96Å; P13-K15 PolarHBondContact O-N 2.84Å; K15-R65 PolarHBondContact O-NE 3.22Å; K15-R65 PolarHBondContact O-NH2 3Å; K15-W71 HydrophobicContact CB-CB 3.94Å; K15-W71 HydrophobicContact CB-CG 4.02Å; K15-W71 HydrophobicContact CD-CD2 4.04Å; K15-W71 HydrophobicContact CD-CE3 4.3Å; K15-W71 HydrophobicContact CD-CG 4.27Å; K15-W71 HydrophobicContact CG-CB 4.28Å; K15-W71 HydrophobicContact CG-CD2 4.39Å; K15-W71 HydrophobicContact CG-CG 4.21Å; K15-W187 HydrophobicContact CD-CH2 3.73Å; K15-W187 HydrophobicContact CD-CZ2 3.65Å; K15-W187 VanDerWaalsContact NZ-CE2 3.26Å
16G94.5Very high93.6Very high19 Ų1968.7 Ų68.720%0.19638%0.384CS..  trans78-168.8-173.300000114.2N14 C18 K75N14-G16 PolarHBondContact O-N 3.12Å; N14-G16 PolarHBondContact OD1-N 3.21Å; N14-G16 VanDerWaalsContact OD1-N 3.07Å; G16-C18 PolarHBondContact O-N 3.11Å; G16-C18 PolarHBondContact O-SG 3.12Å; G16-C18 VanDerWaalsContact O-SG 3.36Å; G16-K75 PolarHBondContact O-NZ 3.28Å
17V96.3Very high94.2Very high82 Ų8274.9 Ų74.950%0.49742%0.415SS..SBendtrans-76.4120.3178.2-171.90000108.8L20 R65 Q217V17-L20 HydrophobicContact CG1-CD1 3.9Å; V17-L20 HydrophobicContact CG1-CD2 3.81Å; V17-L20 HydrophobicContact CG1-CG 3.76Å; V17-R65 WeakPolarHBondContact O-CD 3.46Å; V17-Q217 PolarHBondContact O-NE2 2.78Å
18C96.3Very high94.6Very high23 Ų2374.7 Ų74.716%0.15541%0.414CS..  trans-123.4148.1-173.3-580000109.9G16 L20 T72 K75G16-C18 PolarHBondContact O-N 3.11Å; G16-C18 PolarHBondContact O-SG 3.12Å; G16-C18 VanDerWaalsContact O-SG 3.36Å; C18-L20 VanDerWaalsContact C-N 3.35Å; C18-L20 PolarHBondContact O-N 3.39Å; C18-T72 WeakPolarHBondContact CB-OG1 3.31Å; C18-K75 HydrophobicContact CB-CD 4.21Å; C18-K75 PolarHBondContact SG-NZ 3.08Å; C18-K75 VanDerWaalsContact SG-NZ 3.43Å
19G95.9Very high94.9Very high34 Ų3476 Ų7635%0.35142%0.42SS..  trans7126171.500000114.7R65 T72G19-R65 PolarHBondContact N-O 2.82Å; G19-T72 PolarHBondContact N-OG1 3.2Å
20L97Very high95.2Very high57 Ų5775.7 Ų75.730%0.29842%0.419SS..PPolyproline II helixtrans-59.5146.4169.6-69.1179.5000110V17 C18 Q266 P267V17-L20 HydrophobicContact CG1-CD1 3.9Å; V17-L20 HydrophobicContact CG1-CD2 3.81Å; V17-L20 HydrophobicContact CG1-CG 3.76Å; C18-L20 VanDerWaalsContact C-N 3.35Å; C18-L20 PolarHBondContact O-N 3.39Å; L20-Q266 PolarHBondContact O-NE2 3.14Å; L20-P267 HydrophobicContact CD1-CB 4.36Å
21P96.9Very high95.4Very high94 Ų9476.8 Ų76.861%0.6142%0.42SS*.PPolyproline II helixtrans-60.7145.6175.127-34.2000110.3
22E97.6Very high95.7Very high103 Ų10372.6 Ų72.648%0.48141%0.41SS..PPolyproline II helixtrans-75.6143.8168.1-67.4174.8173.600109.1P67 L265 Q266E22-P67 HydrophobicContact CG-CG 3.86Å; E22-P67 WeakPolarHBondContact OE1-CD 3.18Å; E22-L265 CarbonylContact C-O 3.57Å; E22-L265 VanDerWaalsContact CA-O 3.29Å; E22-L265 WeakPolarHBondContact CA-O 3.49Å; E22-L265 HydrophobicContact CB-CB 4.26Å; E22-L265 HydrophobicContact CG-CB 3.96Å; E22-Q266 HydrophobicContact CG-CG 4.12Å
23V96.8Very high96.2Very high66 Ų6670.8 Ų70.840%0.440%0.404SS..  trans-118.9140174.9-177.60000106.6L265 N279V23-L265 PolarHBondContact N-O 3.32Å; V23-N279 HydrophobicContact CB-CB 4.47Å; V23-N279 HydrophobicContact CG1-CB 4.4Å; V23-N279 WeakPolarHBondContact O-CB 3.11Å
24L97.8Very high96.6Very high118 Ų11866.5 Ų66.562%0.61838%0.375SS*.  trans-120.2133.3172.7-70.1170.9000108.5L265 N279L24-L265 HydrophobicContact CD2-CD2 3.49Å; L24-L265 VanDerWaalsContact CD2-CD2 3.49Å; L24-N279 WeakPolarHBondContact CA-O 3.16Å
25D98Very high96.9Very high25 Ų2563.8 Ų63.813%0.13436%0.363CS..  trans-64.9140.5166.2-72-38.2000109.2L30 K33 N279D25-L30 HydrophobicContact CB-CB 3.98Å; D25-L30 HydrophobicContact CB-CD1 4.31Å; D25-K33 IonicContact OD1-NZ 2.69Å; D25-K33 PolarHBondContact OD1-NZ 2.9Å; D25-K33 VanDerWaalsContact OD2-CD 3.23Å; D25-K33 WeakPolarHBondContact OD2-CD 3.42Å; D25-K33 IonicContact OD2-NZ 2.9Å; D25-K33 PolarHBondContact OD2-NZ 2.69Å; D25-N279 PolarHBondContact N-O 3.05Å; D25-N279 PolarHBondContact OD2-N 2.99Å
26D96.9Very high97.1Very high84 Ų8466.6 Ų66.645%0.44938%0.376SS..  trans-66.1155169.36789.6000110.7S28 Q29 L30D26-S28 PolarHBondContact O-N 2.9Å; D26-S28 VanDerWaalsContact O-N 3.09Å; D26-S28 WeakPolarHBondContact OD1-CB 3.25Å; D26-S28 PolarHBondContact OD1-N 3.14Å; D26-S28 VanDerWaalsContact OD1-N 3.16Å; D26-S28 PolarHBondContact OD1-OG 3.48Å; D26-Q29 PolarHBondContact O-N 3.12Å; D26-Q29 VanDerWaalsContact O-N 3.13Å; D26-Q29 PolarHBondContact OD1-N 3.16Å; D26-Q29 WeakPolarHBondContact OD2-CB 3.45Å; D26-Q29 WeakPolarHBondContact OD2-CG 3.31Å; D26-L30 VanDerWaalsContact O-CB 3.31Å; D26-L30 WeakPolarHBondContact O-CB 3.24Å; D26-L30 PolarHBondContact O-N 2.74Å
27D95.5Very high97.3Very high144 Ų14465.7 Ų65.777%0.7737%0.367SS*.Hα-helixtrans-54.1-37-173-66.5-20.6000113.2D31D27-D31 PolarHBondContact O-N 3.23Å; D27-D31 VanDerWaalsContact O-N 3.1Å
28S94.9Very high97.4Very high78 Ų7861.8 Ų61.855%0.54534%0.343SS..Hα-helixtrans-71.5-44.2-178.378.70000112.1D26 L30 L32D26-S28 PolarHBondContact O-N 2.9Å; D26-S28 VanDerWaalsContact O-N 3.09Å; D26-S28 WeakPolarHBondContact OD1-CB 3.25Å; D26-S28 PolarHBondContact OD1-N 3.14Å; D26-S28 VanDerWaalsContact OD1-N 3.16Å; D26-S28 PolarHBondContact OD1-OG 3.48Å; S28-L30 VanDerWaalsContact C-N 3.34Å; S28-L32 WeakPolarHBondContact O-CG 3.46Å; S28-L32 PolarHBondContact O-N 3.2Å
29Q96.1Very high97.5Very high85 Ų8563.2 Ų63.240%0.39735%0.35SS..Hα-helixtrans-69-36.6175.1-67.8-56.4-58.400111.2D26 L32 K33D26-Q29 PolarHBondContact O-N 3.12Å; D26-Q29 VanDerWaalsContact O-N 3.13Å; D26-Q29 PolarHBondContact OD1-N 3.16Å; D26-Q29 WeakPolarHBondContact OD2-CB 3.45Å; D26-Q29 WeakPolarHBondContact OD2-CG 3.31Å; Q29-L32 PolarHBondContact O-N 2.56Å; Q29-K33 WeakPolarHBondContact O-CB 3.23Å; Q29-K33 VanDerWaalsContact O-CG 3.23Å; Q29-K33 WeakPolarHBondContact O-CG 3.23Å; Q29-K33 PolarHBondContact O-N 3.11Å
30L97.9Very high97.7Very high15 Ų1561.7 Ų61.78%0.07933%0.333CS..Hα-helixtrans-63.7-46.6-179.6-175.754.4000111.4D25 D26 S28 L32 K33 L34 I278 A280 F284D25-L30 HydrophobicContact CB-CB 3.98Å; D25-L30 HydrophobicContact CB-CD1 4.31Å; D26-L30 VanDerWaalsContact O-CB 3.31Å; D26-L30 WeakPolarHBondContact O-CB 3.24Å; D26-L30 PolarHBondContact O-N 2.74Å; S28-L30 VanDerWaalsContact C-N 3.34Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.32Å; L30-K33 PolarHBondContact O-N 2.81Å; L30-L34 HydrophobicContact CD1-CD1 3.98Å; L30-L34 HydrophobicContact CD1-CD2 4.49Å; L30-L34 HydrophobicContact CD1-CG 4Å; L30-L34 HydrophobicContact CG-CD1 3.83Å; L30-L34 HydrophobicContact CG-CG 4.31Å; L30-L34 WeakPolarHBondContact O-CB 3.43Å; L30-L34 WeakPolarHBondContact O-CG 3.44Å; L30-L34 PolarHBondContact O-N 3.26Å; L30-I278 HydrophobicContact CD1-CG2 3.69Å; L30-A280 HydrophobicContact CD1-CB 3.76Å; L30-A280 HydrophobicContact CD2-CB 4.03Å; L30-F284 HydrophobicContact CD2-CD1 4.21Å; L30-F284 HydrophobicContact CD2-CE1 3.63Å; L30-F284 HydrophobicContact CG-CE1 4.26Å
31D97.9Very high97.8Very high89 Ų8959.3 Ų59.348%0.47632%0.321SS..Hα-helixtrans-64.1-38.4178-177.459.7000112.7D27 L34 T35 K292D27-D31 PolarHBondContact O-N 3.23Å; D27-D31 VanDerWaalsContact O-N 3.1Å; D31-L34 PolarHBondContact O-N 2.93Å; D31-T35 WeakPolarHBondContact O-CB 3.36Å; D31-T35 PolarHBondContact O-N 3.32Å; D31-T35 PolarHBondContact O-OG1 3.15Å; D31-K292 IonicContact OD1-NZ 3.44Å; D31-K292 PolarHBondContact OD1-NZ 3.09Å; D31-K292 VanDerWaalsContact OD1-NZ 3.13Å
32L98.4Very high97.8Very high106 Ų10661.5 Ų61.556%0.55532%0.317SS*.Hα-helixtrans-60.2-48173.5-71.1173.8000111.3S28 Q29 L30 L34 T35 E36S28-L32 WeakPolarHBondContact O-CG 3.46Å; S28-L32 PolarHBondContact O-N 3.2Å; Q29-L32 PolarHBondContact O-N 2.56Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.32Å; L32-L34 PolarHBondContact O-N 2.9Å; L32-T35 PolarHBondContact O-N 2.83Å; L32-E36 PolarHBondContact O-N 3.4Å
33K98.7Very high97.8Very high42 Ų4262.7 Ų62.718%0.18332%0.323CS..Hα-helixtrans-64.3-38.6177.9-71.2176.9175.9-1670112.4D25 Q29 L30 E36 L37 L276 N277 I278D25-K33 IonicContact OD1-NZ 2.69Å; D25-K33 PolarHBondContact OD1-NZ 2.9Å; D25-K33 VanDerWaalsContact OD2-CD 3.23Å; D25-K33 WeakPolarHBondContact OD2-CD 3.42Å; D25-K33 IonicContact OD2-NZ 2.9Å; D25-K33 PolarHBondContact OD2-NZ 2.69Å; Q29-K33 WeakPolarHBondContact O-CB 3.23Å; Q29-K33 VanDerWaalsContact O-CG 3.23Å; Q29-K33 WeakPolarHBondContact O-CG 3.23Å; Q29-K33 PolarHBondContact O-N 3.11Å; L30-K33 PolarHBondContact O-N 2.81Å; K33-E36 PolarHBondContact O-N 3.41Å; K33-L37 WeakPolarHBondContact O-CB 3.39Å; K33-L37 PolarHBondContact O-N 2.93Å; K33-L276 HydrophobicContact CB-CD1 4.1Å; K33-L276 HydrophobicContact CG-CD1 3.88Å; K33-N277 WeakPolarHBondContact CD-O 3.47Å; K33-N277 VanDerWaalsContact CE-O 3.31Å; K33-N277 WeakPolarHBondContact CE-O 3.23Å; K33-N277 PolarHBondContact NZ-O 3.37Å; K33-I278 HydrophobicContact CB-CD1 4.41Å; K33-I278 HydrophobicContact CB-CG1 4.18Å
34L98.7Very high97.9Very high6 Ų660.6 Ų60.63%0.03131%0.311CS..Hα-helixtrans-68.8-35.6177.4-70.8171.6000112L30 D31 L32 L37 A38 I278 F284 V285 V288L30-L34 HydrophobicContact CD1-CD1 3.98Å; L30-L34 HydrophobicContact CD1-CD2 4.49Å; L30-L34 HydrophobicContact CD1-CG 4Å; L30-L34 HydrophobicContact CG-CD1 3.83Å; L30-L34 HydrophobicContact CG-CG 4.31Å; L30-L34 WeakPolarHBondContact O-CB 3.43Å; L30-L34 WeakPolarHBondContact O-CG 3.44Å; L30-L34 PolarHBondContact O-N 3.26Å; D31-L34 PolarHBondContact O-N 2.93Å; L32-L34 PolarHBondContact O-N 2.9Å; L34-L37 PolarHBondContact O-N 2.92Å; L34-A38 PolarHBondContact O-N 2.83Å; L34-A38 VanDerWaalsContact O-N 3.08Å; L34-I278 HydrophobicContact CD2-CD1 4.45Å; L34-F284 HydrophobicContact CD1-CE1 3.83Å; L34-V285 HydrophobicContact CD2-CB 4.15Å; L34-V285 HydrophobicContact CD2-CG1 3.7Å; L34-V285 HydrophobicContact CD2-CG2 4.14Å; L34-V288 HydrophobicContact CB-CG1 4.24Å; L34-V288 HydrophobicContact CD1-CB 4.14Å; L34-V288 HydrophobicContact CD1-CG1 3.9Å; L34-V288 HydrophobicContact CD1-CG2 4.32Å
35T98.6Very high97.8Very high52 Ų5260 Ų6032%0.31931%0.312SS..Hα-helixtrans-66-43.7172.2-60.80000110.8D31 L32 A38 N39 K292D31-T35 WeakPolarHBondContact O-CB 3.36Å; D31-T35 PolarHBondContact O-N 3.32Å; D31-T35 PolarHBondContact O-OG1 3.15Å; L32-T35 PolarHBondContact O-N 2.83Å; T35-A38 PolarHBondContact O-N 2.81Å; T35-N39 VanDerWaalsContact O-CG 3.3Å; T35-N39 PolarHBondContact O-N 2.98Å; T35-N39 PolarHBondContact O-ND2 3.48Å; T35-K292 PolarHBondContact OG1-NZ 3.43Å
36E98.7Very high97.8Very high77 Ų7761.2 Ų61.236%0.3632%0.315SS..Hα-helixtrans-64.4-40.3175.3-177.656.9-165.300112.1L32 K33 A38 N39 L40 L276L32-E36 PolarHBondContact O-N 3.4Å; K33-E36 PolarHBondContact O-N 3.41Å; E36-A38 VanDerWaalsContact C-N 3.33Å; E36-A38 PolarHBondContact O-N 3.13Å; E36-N39 WeakPolarHBondContact O-CB 3.35Å; E36-N39 PolarHBondContact O-N 3.09Å; E36-N39 VanDerWaalsContact O-N 3.13Å; E36-L40 HydrophobicContact CG-CD1 4.37Å; E36-L40 HydrophobicContact CG-CG 4.36Å; E36-L40 WeakPolarHBondContact O-CG 3.43Å; E36-L40 PolarHBondContact O-N 2.95Å; E36-L276 HydrophobicContact CB-CD2 4.33Å; E36-L276 HydrophobicContact CG-CD2 4.23Å
37L98.8Very high97.8Very high0 Ų057.3 Ų57.30%029%0.294CS..Hα-helixtrans-56-48.217317757.4000111.5K33 L34 N39 L40 V41 I210 V261 I263 L276 I278 V285 L289K33-L37 WeakPolarHBondContact O-CB 3.39Å; K33-L37 PolarHBondContact O-N 2.93Å; L34-L37 PolarHBondContact O-N 2.92Å; L37-N39 VanDerWaalsContact C-N 3.3Å; L37-N39 PolarHBondContact O-N 2.6Å; L37-L40 PolarHBondContact O-N 3.36Å; L37-V41 HydrophobicContact CD1-CG2 4.2Å; L37-V41 VanDerWaalsContact O-CG2 3.32Å; L37-V41 WeakPolarHBondContact O-CG2 3.31Å; L37-V41 PolarHBondContact O-N 2.93Å; L37-I210 HydrophobicContact CD1-CD1 4.36Å; L37-V261 HydrophobicContact CD1-CB 4.37Å; L37-V261 HydrophobicContact CD1-CG1 3.8Å; L37-V261 HydrophobicContact CD1-CG2 3.98Å; L37-I263 HydrophobicContact CD2-CD1 4.12Å; L37-L276 HydrophobicContact CB-CD2 4.07Å; L37-I278 HydrophobicContact CB-CD1 4.02Å; L37-I278 HydrophobicContact CD2-CD1 3.81Å; L37-I278 HydrophobicContact CG-CD1 4.41Å; L37-V285 HydrophobicContact CD2-CG1 3.72Å; L37-L289 HydrophobicContact CD2-CB 4.46Å; L37-L289 HydrophobicContact CD2-CD1 4.32Å; L37-L289 HydrophobicContact CD2-CD2 4.12Å; L37-L289 HydrophobicContact CG-CD1 4.01Å; L37-L289 HydrophobicContact CG-CD2 4.34Å
38A98.8Very high98Very high0 Ų050.4 Ų50.40%026%0.258CS..Hα-helixtrans-61.7-39.4177.700000111.6L34 T35 E36 V41 R42 L289 K292L34-A38 PolarHBondContact O-N 2.83Å; L34-A38 VanDerWaalsContact O-N 3.08Å; T35-A38 PolarHBondContact O-N 2.81Å; E36-A38 VanDerWaalsContact C-N 3.33Å; E36-A38 PolarHBondContact O-N 3.13Å; A38-V41 PolarHBondContact O-N 3.33Å; A38-R42 WeakPolarHBondContact O-CG 3.45Å; A38-R42 PolarHBondContact O-N 3.43Å; A38-L289 HydrophobicContact CB-CD1 4.14Å; A38-K292 HydrophobicContact CB-CB 3.84Å; A38-K292 HydrophobicContact CB-CD 4.01Å
39N98.7Very high98.2Very high53 Ų5346.8 Ų46.828%0.28323%0.232SC..Hα-helixtrans-64.4-46.5175.8-68.1-21.6000112.2T35 E36 L37 V41 R42 Q43T35-N39 VanDerWaalsContact O-CG 3.3Å; T35-N39 PolarHBondContact O-N 2.98Å; T35-N39 PolarHBondContact O-ND2 3.48Å; E36-N39 WeakPolarHBondContact O-CB 3.35Å; E36-N39 PolarHBondContact O-N 3.09Å; E36-N39 VanDerWaalsContact O-N 3.13Å; L37-N39 VanDerWaalsContact C-N 3.3Å; L37-N39 PolarHBondContact O-N 2.6Å; N39-V41 VanDerWaalsContact C-N 3.3Å; N39-V41 PolarHBondContact O-N 3.21Å; N39-R42 PolarHBondContact O-N 3.16Å; N39-R42 PolarHBondContact OD1-NH1 2.79Å; N39-Q43 WeakPolarHBondContact O-CB 3.2Å; N39-Q43 VanDerWaalsContact O-CG 3.24Å; N39-Q43 WeakPolarHBondContact O-CG 3.42Å; N39-Q43 PolarHBondContact O-N 3.26Å
40L98.6Very high98.3Very high1 Ų143 Ų431%0.00521%0.214CC..Hα-helixtrans-57.3-45.7175.4-70.8179.7000110.9E36 L37 Q43 S44 L208 K259 V261 L276E36-L40 HydrophobicContact CG-CD1 4.37Å; E36-L40 HydrophobicContact CG-CG 4.36Å; E36-L40 WeakPolarHBondContact O-CG 3.43Å; E36-L40 PolarHBondContact O-N 2.95Å; L37-L40 PolarHBondContact O-N 3.36Å; L40-Q43 PolarHBondContact O-N 2.97Å; L40-S44 WeakPolarHBondContact O-CB 3.47Å; L40-S44 PolarHBondContact O-N 3.44Å; L40-S44 VanDerWaalsContact O-N 3.12Å; L40-S44 PolarHBondContact O-OG 3.21Å; L40-L208 HydrophobicContact CB-CD2 4.22Å; L40-K259 HydrophobicContact CD2-CD 3.43Å; L40-K259 VanDerWaalsContact CD2-CD 3.43Å; L40-K259 VanDerWaalsContact CD2-NZ 3.33Å; L40-V261 HydrophobicContact CD1-CG2 3.74Å; L40-L276 HydrophobicContact CD1-CB 4.34Å; L40-L276 HydrophobicContact CD1-CD2 4.17Å
41V98.7Very high98.4Very high8 Ų842.2 Ų42.25%0.04821%0.21CC..Hα-helixtrans-61.6-46.4177.4169.80000111.4L37 A38 N39 Q43 S44 I47 V106 L208 I210 L289 L293L37-V41 HydrophobicContact CD1-CG2 4.2Å; L37-V41 VanDerWaalsContact O-CG2 3.32Å; L37-V41 WeakPolarHBondContact O-CG2 3.31Å; L37-V41 PolarHBondContact O-N 2.93Å; A38-V41 PolarHBondContact O-N 3.33Å; N39-V41 VanDerWaalsContact C-N 3.3Å; N39-V41 PolarHBondContact O-N 3.21Å; V41-Q43 VanDerWaalsContact C-N 3.28Å; V41-Q43 PolarHBondContact O-N 3.47Å; V41-S44 PolarHBondContact O-N 3.37Å; V41-I47 HydrophobicContact CB-CD1 4.19Å; V41-I47 HydrophobicContact CG1-CD1 3.73Å; V41-I47 HydrophobicContact CG2-CD1 4.22Å; V41-V106 HydrophobicContact CG1-CG1 3.46Å; V41-V106 VanDerWaalsContact CG1-CG1 3.46Å; V41-L208 HydrophobicContact CG2-CD2 4.08Å; V41-I210 HydrophobicContact CG2-CD1 3.9Å; V41-L289 HydrophobicContact CB-CD1 4.49Å; V41-L289 HydrophobicContact CG2-CD1 4.19Å; V41-L289 HydrophobicContact CG2-CD2 4.37Å; V41-L293 HydrophobicContact CG1-CD1 3.68Å; V41-L293 HydrophobicContact CG1-CD2 4.09Å
42R98.4Very high98.4Very high140 Ų14038.1 Ų38.153%0.52819%0.189SC..Hα-helixtrans-63.4-31.7178.2-72.5-174.6-167.1113.1-10.9113.7A38 N39 K292 L293A38-R42 WeakPolarHBondContact O-CG 3.45Å; A38-R42 PolarHBondContact O-N 3.43Å; N39-R42 PolarHBondContact O-N 3.16Å; N39-R42 PolarHBondContact OD1-NH1 2.79Å; R42-K292 PolarHBondContact NH2-O 2.71Å; R42-L293 HydrophobicContact CG-CD2 3.73Å
43Q97.6Very high98.3Very high128 Ų12833.8 Ų33.860%0.59817%0.169SC*.Hα-helixtrans-84-15.2-178.9-70.3170.89.300113.4N39 L40 V41N39-Q43 WeakPolarHBondContact O-CB 3.2Å; N39-Q43 VanDerWaalsContact O-CG 3.24Å; N39-Q43 WeakPolarHBondContact O-CG 3.42Å; N39-Q43 PolarHBondContact O-N 3.26Å; L40-Q43 PolarHBondContact O-N 2.97Å; V41-Q43 VanDerWaalsContact C-N 3.28Å; V41-Q43 PolarHBondContact O-N 3.47Å
44S97.5Very high98.3Very high21 Ų2132.6 Ų32.615%0.14717%0.168CC..  trans-92.7140.7-173.3-59.10000111.2L40 V41 L208L40-S44 WeakPolarHBondContact O-CB 3.47Å; L40-S44 PolarHBondContact O-N 3.44Å; L40-S44 VanDerWaalsContact O-N 3.12Å; L40-S44 PolarHBondContact O-OG 3.21Å; V41-S44 PolarHBondContact O-N 3.37Å; S44-L208 VanDerWaalsContact OG-CB 3.23Å; S44-L208 WeakPolarHBondContact OG-CB 3.44Å; S44-L208 WeakPolarHBondContact OG-CD2 3.43Å
45T96.6Very high98.2Very high105 Ų10532.4 Ų32.464%0.64417%0.167SC*.SBendtrans-98.1-28.5-17966.10000112.4K108 D207T45-K108 WeakPolarHBondContact O-CE 3.5Å; T45-D207 WeakPolarHBondContact CA-OD2 3.27Å; T45-D207 WeakPolarHBondContact CB-OD2 3.39Å; T45-D207 PolarHBondContact N-OD1 3.48Å; T45-D207 PolarHBondContact N-OD2 3.38Å; T45-D207 PolarHBondContact OG1-OD2 2.99Å
46Y97.2Very high98.2Very high51 Ų5129.9 Ų29.920%0.215%0.152CC..SBendtrans-136.884-173.9-152.1-77.7000111.6V48 K108 H202 K205 A206 D207Y46-V48 HydrophobicContact CD1-CG2 4.08Å; Y46-V48 HydrophobicContact CE1-CG2 4.02Å; Y46-K108 HydrophobicContact CD1-CB 3.87Å; Y46-K108 HydrophobicContact CD1-CG 4.1Å; Y46-K108 HydrophobicContact CD2-CB 4.16Å; Y46-K108 HydrophobicContact CD2-CG 3.78Å; Y46-K108 HydrophobicContact CE1-CB 3.61Å; Y46-K108 HydrophobicContact CE1-CG 4.26Å; Y46-K108 HydrophobicContact CE2-CB 3.91Å; Y46-K108 HydrophobicContact CE2-CG 3.93Å; Y46-K108 HydrophobicContact CG-CB 4.14Å; Y46-K108 HydrophobicContact CG-CG 3.87Å; Y46-H202 HydrophobicContact CE1-CB 4.49Å; Y46-H202 AromaticContact CE1-ND1 3.96Å; Y46-H202 AromaticContact CZ-ND1 3.75Å; Y46-H202 PolarHBondContact OH-CE1 3.05Å; Y46-H202 VanDerWaalsContact OH-CE1 3.25Å; Y46-H202 PolarHBondContact OH-ND1 3.4Å; Y46-K205 HydrophobicContact CD1-CB 3.78Å; Y46-K205 HydrophobicContact CD2-CB 4.37Å; Y46-K205 HydrophobicContact CE1-CB 3.68Å; Y46-K205 HydrophobicContact CE1-CD 4.41Å; Y46-K205 HydrophobicContact CE2-CB 4.29Å; Y46-K205 HydrophobicContact CE2-CD 4.3Å; Y46-K205 HydrophobicContact CG-CB 4.13Å; Y46-A206 HydrophobicContact CD1-CB 4.4Å; Y46-A206 WeakPolarHBondContact O-CA 3.34Å; Y46-A206 WeakPolarHBondContact O-CB 3.49Å; Y46-D207 VanDerWaalsContact C-OD1 3.25Å; Y46-D207 WeakPolarHBondContact CA-OD1 3.32Å; Y46-D207 PolarHBondContact N-OD1 3.4Å; Y46-D207 PolarHBondContact N-OD2 3.46Å; Y46-D207 PolarHBondContact O-N 2.93Å; Y46-D207 VanDerWaalsContact O-OD1 3.06Å
47I98.4Very high98Very high2 Ų229.1 Ų29.11%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-88.3127-177.3-52.3178.7000110.6V41 V49 V106 K108 F109 L208 I210V41-I47 HydrophobicContact CB-CD1 4.19Å; V41-I47 HydrophobicContact CG1-CD1 3.73Å; V41-I47 HydrophobicContact CG2-CD1 4.22Å; I47-V49 HydrophobicContact CG2-CG2 4.4Å; I47-V106 WeakPolarHBondContact CB-O 3.49Å; I47-V106 HydrophobicContact CD1-CG1 3.81Å; I47-K108 PolarHBondContact O-N 2.94Å; I47-F109 PolarHBondContact O-N 2.8Å; I47-L208 WeakPolarHBondContact CA-O 3.44Å; I47-L208 HydrophobicContact CD1-CD2 4.1Å; I47-L208 HydrophobicContact CG1-CB 4.27Å; I47-L208 HydrophobicContact CG1-CD2 4.15Å; I47-L208 HydrophobicContact CG2-CD2 4.35Å; I47-L208 HydrophobicContact CG2-CG 4.42Å; I47-I210 HydrophobicContact CG2-CD1 3.78Å; I47-I210 HydrophobicContact CG2-CG1 4.07Å
48V98.6Very high97.8Very high0 Ų032.5 Ų32.50%018%0.176CC..EExtended strand (participates in β ladder)trans-114.5124170.2-179.90000110.2Y46 H50 F109 V111 H202 A206 L208 H209 I210Y46-V48 HydrophobicContact CD1-CG2 4.08Å; Y46-V48 HydrophobicContact CE1-CG2 4.02Å; V48-H50 WeakPolarHBondContact CG1-NE2 3.36Å; V48-H50 PolarHBondContact O-CD2 3.39Å; V48-F109 WeakPolarHBondContact CA-O 3.23Å; V48-F109 HydrophobicContact CG1-CB 4.41Å; V48-F109 HydrophobicContact CG2-CB 4.09Å; V48-V111 HydrophobicContact CG1-CG2 4.05Å; V48-H202 HydrophobicContact CG2-CB 4.26Å; V48-H202 WeakPolarHBondContact CG2-O 3.22Å; V48-A206 HydrophobicContact CB-CB 4.07Å; V48-A206 HydrophobicContact CG2-CB 3.66Å; V48-L208 PolarHBondContact N-O 3.47Å; V48-H209 WeakPolarHBondContact O-CA 3.16Å; V48-I210 PolarHBondContact O-N 2.79Å
49V98.9Very high97.6Very high2 Ų234 Ų341%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-97.2140.1178.3179.60000110I47 T51 L98 V107 F109 L110 V111 I210 I212I47-V49 HydrophobicContact CG2-CG2 4.4Å; V49-T51 HydrophobicContact CG1-CG2 3.97Å; V49-L98 HydrophobicContact CB-CD2 4.24Å; V49-L98 HydrophobicContact CG1-CD1 4.43Å; V49-L98 HydrophobicContact CG1-CD2 3.81Å; V49-L98 HydrophobicContact CG2-CD2 3.97Å; V49-V107 HydrophobicContact CB-CG1 4.46Å; V49-V107 HydrophobicContact CG2-CB 4.48Å; V49-V107 HydrophobicContact CG2-CG1 3.93Å; V49-V107 HydrophobicContact CG2-CG2 3.66Å; V49-F109 PolarHBondContact N-O 2.61Å; V49-L110 HydrophobicContact CB-CD1 3.8Å; V49-L110 HydrophobicContact CG1-CD1 3.75Å; V49-L110 WeakPolarHBondContact O-CA 3.27Å; V49-V111 PolarHBondContact O-N 3.34Å; V49-I210 CarbonylContact C-O 3.49Å; V49-I210 VanDerWaalsContact CA-O 3.32Å; V49-I210 WeakPolarHBondContact CA-O 3.28Å; V49-I210 HydrophobicContact CG2-CB 4.34Å; V49-I212 HydrophobicContact CG1-CD1 3.78Å; V49-I212 HydrophobicContact CG1-CG1 4.15Å
50H98.8Very high97.3Very high4 Ų431.9 Ų31.92%0.01918%0.176CC..EExtended strand (participates in β ladder)trans-120.9117.9178-59.1-97.3000109V48 V111 H209 I210 C211 I212V48-H50 WeakPolarHBondContact CG1-NE2 3.36Å; V48-H50 PolarHBondContact O-CD2 3.39Å; H50-V111 CarbonylContact C-O 3.58Å; H50-V111 VanDerWaalsContact CA-O 3.28Å; H50-V111 WeakPolarHBondContact CA-O 3.4Å; H50-H209 AromaticContact CD2-ND1 3.94Å; H50-H209 AromaticContact NE2-ND1 3.14Å; H50-H209 PolarHBondContact NE2-ND1 3.09Å; H50-H209 VanDerWaalsContact NE2-ND1 3.14Å; H50-I210 PolarHBondContact N-O 3.03Å; H50-C211 HydrophobicContact CB-CB 4.44Å; H50-C211 CarbonylContact O-C 3.44Å; H50-C211 WeakPolarHBondContact O-CA 3.41Å; H50-I212 PolarHBondContact O-N 3.4Å
51T98.9Very high97.1Very high0 Ų032.2 Ų32.20%018%0.178CC..EExtended strand (participates in β ladder)trans-113.6144.5-175.755.60000112.9V49 I55 L98 L110 V111 T112 Q113 H119 I212V49-T51 HydrophobicContact CG1-CG2 3.97Å; T51-I55 HydrophobicContact CG2-CD1 3.76Å; T51-I55 HydrophobicContact CG2-CG2 4.48Å; T51-L98 HydrophobicContact CG2-CD1 3.91Å; T51-L110 HydrophobicContact CG2-CD1 3.74Å; T51-V111 PolarHBondContact N-O 2.88Å; T51-T112 WeakPolarHBondContact OG1-CB 3.46Å; T51-T112 PolarHBondContact OG1-OG1 3.27Å; T51-Q113 PolarHBondContact O-N 3.42Å; T51-H119 PolarHBondContact OG1-NE2 2.63Å; T51-I212 WeakPolarHBondContact CA-O 3.35Å
52G98.4Very high96.9Very high2 Ų232.6 Ų32.62%0.02118%0.181CC..  trans-130.7-175.2171.600000112.3G54 I55 N114 I212 G213G52-G54 PolarHBondContact O-N 3.17Å; G52-I55 WeakPolarHBondContact O-CG1 3.43Å; G52-I55 PolarHBondContact O-N 2.75Å; G52-N114 WeakPolarHBondContact CA-OD1 3.21Å; G52-N114 PolarHBondContact O-ND2 3.11Å; G52-N114 PolarHBondContact O-OD1 3.13Å; G52-I212 PolarHBondContact N-O 3.5Å; G52-G213 CarbonylContact C-O 3.58Å; G52-G213 VanDerWaalsContact CA-O 3.27Å; G52-G213 WeakPolarHBondContact CA-O 3.24Å
53A97.2Very high96.7Very high16 Ų1627.3 Ų27.313%0.13216%0.163CC..G310 helixtrans-62.1-19.6-167.500000114.2I55 S56 D63 F64 N114 G213A53-I55 PolarHBondContact O-N 2.86Å; A53-S56 PolarHBondContact O-N 3.36Å; A53-S56 VanDerWaalsContact O-N 3.11Å; A53-D63 HydrophobicContact CB-CB 3.88Å; A53-F64 HydrophobicContact CB-CD2 3.82Å; A53-F64 HydrophobicContact CB-CE2 4.04Å; A53-N114 WeakPolarHBondContact CA-OD1 3.48Å; A53-N114 PolarHBondContact N-OD1 3.22Å; A53-G213 PolarHBondContact N-O 3.49Å
54G97.7Very high96.6Very high17 Ų1723.1 Ų23.118%0.17514%0.143CC..G310 helixtrans-56.5-33.4177.600000113.5G52 S56 T57 G213G52-G54 PolarHBondContact O-N 3.17Å; G54-S56 PolarHBondContact O-N 2.86Å; G54-T57 PolarHBondContact O-N 3.14Å; G54-T57 PolarHBondContact O-OG1 3.25Å; G54-G213 WeakPolarHBondContact CA-O 3.44Å; G54-G213 PolarHBondContact N-O 3.23Å
55I98.2Very high96.5Very high1 Ų123.1 Ų23.11%0.00514%0.139CC..G310 helixtrans-71.2-13.7-179.172.5162.9000113.9T51 G52 A53 S92 T94 H95 I212 A282T51-I55 HydrophobicContact CG2-CD1 3.76Å; T51-I55 HydrophobicContact CG2-CG2 4.48Å; G52-I55 WeakPolarHBondContact O-CG1 3.43Å; G52-I55 PolarHBondContact O-N 2.75Å; A53-I55 PolarHBondContact O-N 2.86Å; I55-S92 WeakPolarHBondContact O-CB 3.23Å; I55-S92 PolarHBondContact O-OG 2.9Å; I55-T94 HydrophobicContact CB-CG2 3.89Å; I55-T94 HydrophobicContact CD1-CG2 4.37Å; I55-T94 HydrophobicContact CG2-CG2 3.8Å; I55-H95 VanDerWaalsContact CD1-CE1 3.49Å; I55-H95 WeakPolarHBondContact CD1-CE1 3.15Å; I55-H95 VanDerWaalsContact CD1-NE2 3.31Å; I55-H95 WeakPolarHBondContact CD1-NE2 3.34Å; I55-I212 HydrophobicContact CG2-CB 3.94Å; I55-I212 HydrophobicContact CG2-CG2 3.58Å; I55-A282 HydrophobicContact CG2-CB 4.25Å
56S96.9Very high96.5Very high0 Ų018.2 Ų18.20%011%0.109CC..G310 helixtrans-104.2-2.4-178.8-54.20000112.5A53 G54 V59 I61 H95 D116A53-S56 PolarHBondContact O-N 3.36Å; A53-S56 VanDerWaalsContact O-N 3.11Å; G54-S56 PolarHBondContact O-N 2.86Å; S56-V59 WeakPolarHBondContact O-CG2 3.33Å; S56-V59 PolarHBondContact O-N 3.41Å; S56-I61 PolarHBondContact O-N 3.32Å; S56-H95 PolarHBondContact OG-CE1 3.42Å; S56-D116 WeakPolarHBondContact CB-OD2 3.43Å; S56-D116 PolarHBondContact OG-OD2 2.79Å
57T95.7Very high96.4Very high60 Ų6018.4 Ų18.437%0.36812%0.117SC..G310 helixtrans-67.1-37.2-178.4580000113.4G54 V59 G60 I61 D63G54-T57 PolarHBondContact O-N 3.14Å; G54-T57 PolarHBondContact O-OG1 3.25Å; T57-V59 PolarHBondContact O-N 2.62Å; T57-G60 PolarHBondContact O-N 3.12Å; T57-G60 VanDerWaalsContact O-N 3.16Å; T57-I61 VanDerWaalsContact CA-O 3.28Å; T57-I61 WeakPolarHBondContact CA-O 3.47Å; T57-D63 HydrophobicContact CG2-CB 3.84Å
58S95Very high96.2Very high71 Ų7127 Ų2750%0.49715%0.149SC..G310 helixtrans-65.7-21.8178.558.60000113.5D283S58-D283 WeakPolarHBondContact CB-OD2 3.32Å; S58-D283 PolarHBondContact OG-OD2 2.84Å
59V93Very high96Very high31 Ų3127 Ų2719%0.18815%0.149CC..G310 helixtrans-102.217.4178.6-62.80000112.9S56 T57 V89 V90 L118S56-V59 WeakPolarHBondContact O-CG2 3.33Å; S56-V59 PolarHBondContact O-N 3.41Å; T57-V59 PolarHBondContact O-N 2.62Å; V59-V89 HydrophobicContact CB-CG1 3.71Å; V59-V89 HydrophobicContact CG2-CG1 3.43Å; V59-V89 VanDerWaalsContact CG2-CG1 3.43Å; V59-V90 WeakPolarHBondContact CG1-O 3.32Å; V59-L118 HydrophobicContact CG2-CD1 4.01Å
60G93.2Very high95.8Very high10 Ų1027.5 Ų27.510%0.10315%0.152CC..THydrogen-bonded Turntrans84.415169.100000115.2T57 S83 V84T57-G60 PolarHBondContact O-N 3.12Å; T57-G60 VanDerWaalsContact O-N 3.16Å; G60-S83 WeakPolarHBondContact O-CA 3.11Å; G60-V84 PolarHBondContact O-N 3.27Å
61I93.6Very high95.6Very high8 Ų827.7 Ų27.74%0.04115%0.153CC..  trans-95.7115.5168.6-58.8177.7000107.9S56 T57 F86 V89 D116 L118S56-I61 PolarHBondContact O-N 3.32Å; T57-I61 VanDerWaalsContact CA-O 3.28Å; T57-I61 WeakPolarHBondContact CA-O 3.47Å; I61-F86 HydrophobicContact CD1-CD1 3.77Å; I61-F86 HydrophobicContact CD1-CE1 3.92Å; I61-F86 HydrophobicContact CG1-CD1 4.42Å; I61-F86 HydrophobicContact CG1-CE1 4.43Å; I61-F86 HydrophobicContact CG2-CE1 4Å; I61-V89 HydrophobicContact CD1-CB 4.2Å; I61-V89 HydrophobicContact CD1-CG1 3.89Å; I61-V89 HydrophobicContact CD1-CG2 4.03Å; I61-V89 HydrophobicContact CG1-CB 4.49Å; I61-V89 HydrophobicContact CG1-CG1 4.17Å; I61-V89 HydrophobicContact CG1-CG2 3.84Å; I61-D116 HydrophobicContact CD1-CB 3.66Å; I61-L118 HydrophobicContact CD1-CD1 3.88Å
62P94.3Very high95.4Very high16 Ų1628.6 Ų28.610%0.10416%0.158CC..  trans-67.1145.3178.928.6-34000110.3S2 V3 V70 L82S2-P62 VanDerWaalsContact OG-CD 3.22Å; S2-P62 WeakPolarHBondContact OG-CD 3.47Å; S2-P62 WeakPolarHBondContact OG-CG 3.18Å; V3-P62 HydrophobicContact CG2-CG 4.31Å; P62-V70 HydrophobicContact CB-CG2 4.45Å; P62-V70 HydrophobicContact CG-CG2 4.15Å; P62-L82 WeakPolarHBondContact CD-O 3.44Å
63D95.6Very high95.2Very high28 Ų2829.8 Ų29.815%0.1516%0.164CC..  trans-73.2-174.3170.573.922.5000111.8A53 T57 R65 G66 G69 V70A53-D63 HydrophobicContact CB-CB 3.88Å; T57-D63 HydrophobicContact CG2-CB 3.84Å; D63-R65 PolarHBondContact OD1-N 2.98Å; D63-G66 VanDerWaalsContact CG-N 3.33Å; D63-G66 VanDerWaalsContact OD1-CA 3.27Å; D63-G66 WeakPolarHBondContact OD1-CA 3.39Å; D63-G66 PolarHBondContact OD1-N 2.81Å; D63-G66 VanDerWaalsContact OD2-CA 3.22Å; D63-G66 WeakPolarHBondContact OD2-CA 3.4Å; D63-G66 PolarHBondContact OD2-N 3.41Å; D63-G69 CarbonylContact O-C 3.02Å; D63-G69 VanDerWaalsContact O-CA 3.26Å; D63-G69 WeakPolarHBondContact O-CA 3.4Å; D63-G69 WeakPolarHBondContact OD1-CA 3.4Å; D63-V70 WeakPolarHBondContact O-CG2 3.49Å; D63-V70 PolarHBondContact O-N 3.33Å
64F95.1Very high95Very high41 Ų4133.7 Ų33.718%0.1818%0.179CC..SBendtrans-94.5-38.7179.9-68.1-69.2000114Y5 A53 G69 V70 W71Y5-F64 HydrophobicContact CD1-CE1 4.15Å; Y5-F64 HydrophobicContact CD1-CZ 4.31Å; Y5-F64 AromaticContact CE1-CE1 3.83Å; Y5-F64 HydrophobicContact CE1-CE1 3.83Å; Y5-F64 AromaticContact CE1-CZ 3.9Å; Y5-F64 HydrophobicContact CE1-CZ 3.9Å; A53-F64 HydrophobicContact CB-CD2 3.82Å; A53-F64 HydrophobicContact CB-CE2 4.04Å; F64-G69 CarbonylContact O-C 3.51Å; F64-V70 HydrophobicContact CD1-CB 4.33Å; F64-V70 PolarHBondContact O-N 3.34Å; F64-W71 HydrophobicContact CB-CG 4.42Å; F64-W71 HydrophobicContact CD1-CD2 4.41Å; F64-W71 AromaticContact CD1-CE2 3.64Å; F64-W71 AromaticContact CD1-CZ2 3.95Å; F64-W71 HydrophobicContact CD1-CZ2 3.95Å; F64-W71 AromaticContact CD1-NE1 3.37Å; F64-W71 HydrophobicContact CE1-CZ2 4.11Å; F64-W71 AromaticContact CG-NE1 3.77Å; F64-W71 VanDerWaalsContact O-CB 3.31Å; F64-W71 WeakPolarHBondContact O-CB 3.29Å; F64-W71 PolarHBondContact O-N 2.83Å
65R96.3Very high94.7Very high21 Ų2138.9 Ų38.98%0.07920%0.197CC..SBendtrans-127.20-164.9-61.5-176.2-179.892.42.5114.3K15 V17 G19 D63 T72 M218 Q266K15-R65 PolarHBondContact O-NE 3.22Å; K15-R65 PolarHBondContact O-NH2 3Å; V17-R65 WeakPolarHBondContact O-CD 3.46Å; G19-R65 PolarHBondContact N-O 2.82Å; D63-R65 PolarHBondContact OD1-N 2.98Å; R65-T72 PolarHBondContact O-OG1 3.36Å; R65-M218 PolarHBondContact NH2-SD 2.81Å; R65-Q266 PolarHBondContact O-NE2 3.27Å
66G96Very high94.5Very high1 Ų143.2 Ų43.21%0.0122%0.224CC..SBendtrans-57.7172.8171.900000112D63 R68 G69 T72 Q266D63-G66 VanDerWaalsContact CG-N 3.33Å; D63-G66 VanDerWaalsContact OD1-CA 3.27Å; D63-G66 WeakPolarHBondContact OD1-CA 3.39Å; D63-G66 PolarHBondContact OD1-N 2.81Å; D63-G66 VanDerWaalsContact OD2-CA 3.22Å; D63-G66 WeakPolarHBondContact OD2-CA 3.4Å; D63-G66 PolarHBondContact OD2-N 3.41Å; G66-R68 PolarHBondContact O-N 2.93Å; G66-G69 PolarHBondContact O-N 3.41Å; G66-T72 VanDerWaalsContact O-CB 3.25Å; G66-T72 WeakPolarHBondContact O-CB 3.34Å; G66-T72 PolarHBondContact O-OG1 3Å; G66-Q266 VanDerWaalsContact CA-NE2 3.35Å
67P95.2Very high94.2Very high55 Ų5546.8 Ų46.836%0.35726%0.261SS..THydrogen-bonded Turntrans-54.2-29.4176.4-26.135.4000113.3E22 T72E22-P67 HydrophobicContact CG-CG 3.86Å; E22-P67 WeakPolarHBondContact OE1-CD 3.18Å; P67-T72 WeakPolarHBondContact O-CG2 3.33Å
68R93.5Very high94.1Very high183 Ų18350.5 Ų50.569%0.69127%0.271SS*.THydrogen-bonded Turntrans-117.921.1175.7-58.3-174.6-65.1177.4-0.3113G66 L73G66-R68 PolarHBondContact O-N 2.93Å; R68-L73 WeakPolarHBondContact O-CD1 3.44Å
69G94.6Very high93.6Very high0 Ų055.2 Ų55.20%028%0.283CS..  trans-66.1157.3179.900000112.7D63 F64 G66 W71 T72 L73D63-G69 CarbonylContact O-C 3.02Å; D63-G69 VanDerWaalsContact O-CA 3.26Å; D63-G69 WeakPolarHBondContact O-CA 3.4Å; D63-G69 WeakPolarHBondContact OD1-CA 3.4Å; F64-G69 CarbonylContact O-C 3.51Å; G66-G69 PolarHBondContact O-N 3.41Å; G69-W71 PolarHBondContact O-N 3.24Å; G69-T72 WeakPolarHBondContact O-CB 3.48Å; G69-T72 PolarHBondContact O-N 3.13Å; G69-T72 VanDerWaalsContact O-N 3.13Å; G69-L73 WeakPolarHBondContact O-CG 3.1Å; G69-L73 PolarHBondContact O-N 3.41Å
70V94Very high92.9Very high12 Ų1254.7 Ų54.77%0.07328%0.281CS..Hα-helixtrans-54.9-48.4-175.7177.20000111.8A6 P62 D63 F64 E74A6-V70 HydrophobicContact CB-CG1 3.43Å; A6-V70 VanDerWaalsContact CB-CG1 3.43Å; P62-V70 HydrophobicContact CB-CG2 4.45Å; P62-V70 HydrophobicContact CG-CG2 4.15Å; D63-V70 WeakPolarHBondContact O-CG2 3.49Å; D63-V70 PolarHBondContact O-N 3.33Å; F64-V70 HydrophobicContact CD1-CB 4.33Å; F64-V70 PolarHBondContact O-N 3.34Å; V70-E74 WeakPolarHBondContact O-CB 3.48Å; V70-E74 PolarHBondContact O-N 3.21Å
71W94.6Very high92Very high8 Ų864.6 Ų64.63%0.0332%0.321CS..Hα-helixtrans-74.5-30.5179.1-51.2144.1000112.8A6 L9 K15 F64 G69 E74 K75 W187A6-W71 HydrophobicContact CB-CH2 3.33Å; A6-W71 HydrophobicContact CB-CZ2 4.23Å; A6-W71 HydrophobicContact CB-CZ3 3.54Å; L9-W71 HydrophobicContact CD1-CH2 3.85Å; L9-W71 HydrophobicContact CD1-CZ2 4Å; K15-W71 HydrophobicContact CB-CB 3.94Å; K15-W71 HydrophobicContact CB-CG 4.02Å; K15-W71 HydrophobicContact CD-CD2 4.04Å; K15-W71 HydrophobicContact CD-CE3 4.3Å; K15-W71 HydrophobicContact CD-CG 4.27Å; K15-W71 HydrophobicContact CG-CB 4.28Å; K15-W71 HydrophobicContact CG-CD2 4.39Å; K15-W71 HydrophobicContact CG-CG 4.21Å; F64-W71 HydrophobicContact CB-CG 4.42Å; F64-W71 HydrophobicContact CD1-CD2 4.41Å; F64-W71 AromaticContact CD1-CE2 3.64Å; F64-W71 AromaticContact CD1-CZ2 3.95Å; F64-W71 HydrophobicContact CD1-CZ2 3.95Å; F64-W71 AromaticContact CD1-NE1 3.37Å; F64-W71 HydrophobicContact CE1-CZ2 4.11Å; F64-W71 AromaticContact CG-NE1 3.77Å; F64-W71 VanDerWaalsContact O-CB 3.31Å; F64-W71 WeakPolarHBondContact O-CB 3.29Å; F64-W71 PolarHBondContact O-N 2.83Å; G69-W71 PolarHBondContact O-N 3.24Å; W71-E74 VanDerWaalsContact CZ3-OE2 3.27Å; W71-E74 WeakPolarHBondContact CZ3-OE2 3.48Å; W71-K75 WeakPolarHBondContact O-CG 3.49Å; W71-K75 PolarHBondContact O-N 3.42Å; W71-W187 HydrophobicContact CH2-CZ2 4.13Å; W71-W187 HydrophobicContact CZ2-CH2 4.04Å; W71-W187 AromaticContact CZ2-CZ2 3.65Å; W71-W187 HydrophobicContact CZ2-CZ2 3.65Å
72T95Very high90.8Very high20 Ų2069.3 Ų69.312%0.12335%0.346CS..Hα-helixtrans-63.2-45.7173.9-52.80000111C18 G19 R65 G66 P67 G69C18-T72 WeakPolarHBondContact CB-OG1 3.31Å; G19-T72 PolarHBondContact N-OG1 3.2Å; R65-T72 PolarHBondContact O-OG1 3.36Å; G66-T72 VanDerWaalsContact O-CB 3.25Å; G66-T72 WeakPolarHBondContact O-CB 3.34Å; G66-T72 PolarHBondContact O-OG1 3Å; P67-T72 WeakPolarHBondContact O-CG2 3.33Å; G69-T72 WeakPolarHBondContact O-CB 3.48Å; G69-T72 PolarHBondContact O-N 3.13Å; G69-T72 VanDerWaalsContact O-N 3.13Å
73L94.1Very high90.1Very high26 Ų2669.4 Ų69.414%0.13635%0.347CS..Hα-helixtrans-71.8-38.2179.6-66.6177.4000112.1R68 G69 K75 V76 G77 K78 S80R68-L73 WeakPolarHBondContact O-CD1 3.44Å; G69-L73 WeakPolarHBondContact O-CG 3.1Å; G69-L73 PolarHBondContact O-N 3.41Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 3.4Å; L73-V76 CarbonylContact O-C 3.52Å; L73-V76 WeakPolarHBondContact O-CG2 3.39Å; L73-V76 PolarHBondContact O-N 3.5Å; L73-V76 VanDerWaalsContact O-N 3.1Å; L73-G77 PolarHBondContact O-N 3.25Å; L73-K78 CarbonylContact C-O 3.6Å; L73-K78 HydrophobicContact CB-CB 4.12Å; L73-K78 WeakPolarHBondContact CB-O 3.48Å; L73-K78 HydrophobicContact CD2-CB 4.17Å; L73-K78 PolarHBondContact O-N 3.34Å; L73-K78 VanDerWaalsContact O-O 3.06Å; L73-S80 VanDerWaalsContact CD1-CA 3.44Å
74E92.7Very high89.7Confident98 Ų9870.6 Ų70.646%0.45836%0.355SS..Hα-helixtrans-56.6-43.7175.8-173.9-172.7174.600111.7V70 W71 V76 G77 K78V70-E74 WeakPolarHBondContact O-CB 3.48Å; V70-E74 PolarHBondContact O-N 3.21Å; W71-E74 VanDerWaalsContact CZ3-OE2 3.27Å; W71-E74 WeakPolarHBondContact CZ3-OE2 3.48Å; E74-V76 PolarHBondContact O-N 2.82Å; E74-V76 VanDerWaalsContact O-N 3.07Å; E74-G77 PolarHBondContact O-N 2.83Å; E74-K78 PolarHBondContact N-O 2.77Å
75K92.3Very high89.4Confident126 Ų12670.4 Ų70.455%0.54836%0.358SS..THydrogen-bonded Turntrans-56.8-26.1178.4-77.8-179.1-179.3-176.10114G16 C18 W71 L73G16-K75 PolarHBondContact O-NZ 3.28Å; C18-K75 HydrophobicContact CB-CD 4.21Å; C18-K75 PolarHBondContact SG-NZ 3.08Å; C18-K75 VanDerWaalsContact SG-NZ 3.43Å; W71-K75 WeakPolarHBondContact O-CG 3.49Å; W71-K75 PolarHBondContact O-N 3.42Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 3.4Å
76V93.5Very high89Confident93 Ų9369.7 Ų69.756%0.56436%0.355SS*.THydrogen-bonded Turntrans-108.618179.1-59.90000112.4L73 E74 K78L73-V76 CarbonylContact O-C 3.52Å; L73-V76 WeakPolarHBondContact O-CG2 3.39Å; L73-V76 PolarHBondContact O-N 3.5Å; L73-V76 VanDerWaalsContact O-N 3.1Å; E74-V76 PolarHBondContact O-N 2.82Å; E74-V76 VanDerWaalsContact O-N 3.07Å; V76-K78 HydrophobicContact CG2-CB 4.14Å; V76-K78 HydrophobicContact CG2-CD 4.07Å; V76-K78 HydrophobicContact CG2-CG 4.1Å; V76-K78 PolarHBondContact O-N 3.35Å
77G92.1Very high88.6Confident75 Ų7572.4 Ų72.477%0.77337%0.368SS*.THydrogen-bonded Turntrans67.420.917800000114.3L73 E74L73-G77 PolarHBondContact O-N 3.25Å; E74-G77 PolarHBondContact O-N 2.83Å
78K91.9Very high88.3Confident137 Ų13776.1 Ų76.160%0.59638%0.378SS*.  trans-108.5161.1179.4-67.7-179.4-177.7175.60110.9L73 E74 V76L73-K78 CarbonylContact C-O 3.6Å; L73-K78 HydrophobicContact CB-CB 4.12Å; L73-K78 WeakPolarHBondContact CB-O 3.48Å; L73-K78 HydrophobicContact CD2-CB 4.17Å; L73-K78 PolarHBondContact O-N 3.34Å; L73-K78 VanDerWaalsContact O-O 3.06Å; E74-K78 PolarHBondContact N-O 2.77Å; V76-K78 HydrophobicContact CG2-CB 4.14Å; V76-K78 HydrophobicContact CG2-CD 4.07Å; V76-K78 HydrophobicContact CG2-CG 4.1Å; V76-K78 PolarHBondContact O-N 3.35Å
79K84.3Confident88.1Confident170 Ų17067.5 Ų67.574%0.73935%0.346SS*.  trans-120.1149.1171.1-66-175.5178.8-177.50109.7K81K79-K81 PolarHBondContact O-N 2.93Å
80S78.4Confident87.9Confident21 Ų2169.2 Ų69.215%0.14736%0.357CS..  trans-61.8129.3173.7-179.70000109.7L73 L82L73-S80 VanDerWaalsContact CD1-CA 3.44Å; S80-L82 PolarHBondContact OG-N 3.42Å; S80-L82 PolarHBondContact OG-O 3.2Å
81K75.5Confident87.9Confident217 Ų21769.4 Ų69.494%0.94336%0.358SS*.SBendtrans-81.2-22171.9-66.3-173.3177.6-175.50112.3K79K79-K81 PolarHBondContact O-N 2.93Å
82L67Low87.9Confident107 Ų10769.2 Ų69.256%0.5636%0.358SS*.  trans-102.8103-176.3-162.876000108.2P62 S80P62-L82 WeakPolarHBondContact CD-O 3.44Å; S80-L82 PolarHBondContact OG-N 3.42Å; S80-L82 PolarHBondContact OG-O 3.2Å
83S80.9Confident87.9Confident18 Ų1870.3 Ų70.313%0.12636%0.363CS..  trans-150.9115.4164.9-178.50000109.4M1 G60M1-S83 WeakPolarHBondContact CA-OG 3.46Å; M1-S83 WeakPolarHBondContact CB-OG 3.38Å; M1-S83 WeakPolarHBondContact CG-OG 3.38Å; M1-S83 VanDerWaalsContact SD-CB 3.56Å; G60-S83 WeakPolarHBondContact O-CA 3.11Å
84V86.8Confident88.1Confident53 Ų5369 Ų6932%0.32136%0.356SS..  trans-74.7139.7166.5-178.10000107.8G60 F86 K88 V89G60-V84 PolarHBondContact O-N 3.27Å; V84-F86 PolarHBondContact O-N 3.07Å; V84-K88 HydrophobicContact CG1-CB 3.89Å; V84-V89 HydrophobicContact CB-CG2 3.61Å; V84-V89 HydrophobicContact CG1-CG2 3.5Å
85P88.2Confident88.3Confident38 Ų3864.4 Ų64.425%0.24733%0.334CS..  trans-57.9136.9172.5-23.833.9000111.1E87 K88 V89P85-E87 HydrophobicContact CB-CG 4.3Å; P85-E87 PolarHBondContact O-N 2.78Å; P85-E87 VanDerWaalsContact O-N 3.14Å; P85-K88 HydrophobicContact CB-CG 4.31Å; P85-K88 HydrophobicContact CG-CD 4.2Å; P85-K88 PolarHBondContact O-N 3.38Å; P85-V89 WeakPolarHBondContact O-CG2 3.28Å; P85-V89 PolarHBondContact O-N 3.03Å
86F89.6Confident88.5Confident5 Ų560.2 Ų60.22%0.02232%0.315CS..THydrogen-bonded Turntrans-55.8-36.3-172.7-76.2-54.7000113.1S2 I61 V84 K88 V89 D116 R121 M136 F137 P153S2-F86 VanDerWaalsContact CA-CZ 3.48Å; I61-F86 HydrophobicContact CD1-CD1 3.77Å; I61-F86 HydrophobicContact CD1-CE1 3.92Å; I61-F86 HydrophobicContact CG1-CD1 4.42Å; I61-F86 HydrophobicContact CG1-CE1 4.43Å; I61-F86 HydrophobicContact CG2-CE1 4Å; V84-F86 PolarHBondContact O-N 3.07Å; F86-K88 VanDerWaalsContact C-N 3.34Å; F86-K88 PolarHBondContact O-N 3.42Å; F86-V89 PolarHBondContact O-N 3.05Å; F86-D116 HydrophobicContact CD1-CB 3.88Å; F86-D116 HydrophobicContact CE1-CB 3.68Å; F86-R121 PolarHBondContact O-NH1 3.28Å; F86-M136 HydrophobicContact CD2-CB 4.46Å; F86-M136 HydrophobicContact CD2-CG 4.03Å; F86-M136 HydrophobicContact CE2-CG 3.79Å; F86-M136 HydrophobicContact CE2-SD 4.42Å; F86-M136 HydrophobicContact CZ-CG 4.37Å; F86-F137 HydrophobicContact CB-CE2 3.89Å; F86-F137 HydrophobicContact CB-CZ 3.85Å; F86-P153 HydrophobicContact CB-CG 3.8Å; F86-P153 HydrophobicContact CD2-CG 4.48Å
87E87.6Confident88.7Confident59 Ų5955.8 Ų55.828%0.27629%0.288SS..THydrogen-bonded Turntrans-57.9-48.317458.7-82.9-156.600110P85 V89 R121 F137 P153 Y308P85-E87 HydrophobicContact CB-CG 4.3Å; P85-E87 PolarHBondContact O-N 2.78Å; P85-E87 VanDerWaalsContact O-N 3.14Å; E87-V89 VanDerWaalsContact C-N 3.27Å; E87-V89 PolarHBondContact O-N 2.9Å; E87-R121 PolarHBondContact O-NH1 2.9Å; E87-R121 PolarHBondContact O-NH2 2.67Å; E87-F137 HydrophobicContact CB-CE1 4.49Å; E87-F137 HydrophobicContact CB-CZ 4.49Å; E87-P153 WeakPolarHBondContact OE2-CG 3.43Å; E87-Y308 WeakPolarHBondContact CB-OH 3.36Å; E87-Y308 WeakPolarHBondContact O-CE1 3.48Å; E87-Y308 PolarHBondContact O-OH 2.75Å
88K88.4Confident88.9Confident132 Ų13252.3 Ų52.357%0.57425%0.252SS*.THydrogen-bonded Turntrans-75-8.8-174.5-58.9-171.2-178.8-177.60115.2V84 P85 F86V84-K88 HydrophobicContact CG1-CB 3.89Å; P85-K88 HydrophobicContact CB-CG 4.31Å; P85-K88 HydrophobicContact CG-CD 4.2Å; P85-K88 PolarHBondContact O-N 3.38Å; F86-K88 VanDerWaalsContact C-N 3.34Å; F86-K88 PolarHBondContact O-N 3.42Å
89V89.5Confident89.1Confident3 Ų346.1 Ų46.12%0.01823%0.226CC..PPolyproline II helixtrans-81.8136.6-178.1-178.50000110.5V59 I61 V84 P85 F86 E87 L118 R121V59-V89 HydrophobicContact CB-CG1 3.71Å; V59-V89 HydrophobicContact CG2-CG1 3.43Å; V59-V89 VanDerWaalsContact CG2-CG1 3.43Å; I61-V89 HydrophobicContact CD1-CB 4.2Å; I61-V89 HydrophobicContact CD1-CG1 3.89Å; I61-V89 HydrophobicContact CD1-CG2 4.03Å; I61-V89 HydrophobicContact CG1-CB 4.49Å; I61-V89 HydrophobicContact CG1-CG1 4.17Å; I61-V89 HydrophobicContact CG1-CG2 3.84Å; V84-V89 HydrophobicContact CB-CG2 3.61Å; V84-V89 HydrophobicContact CG1-CG2 3.5Å; P85-V89 WeakPolarHBondContact O-CG2 3.28Å; P85-V89 PolarHBondContact O-N 3.03Å; F86-V89 PolarHBondContact O-N 3.05Å; E87-V89 VanDerWaalsContact C-N 3.27Å; E87-V89 PolarHBondContact O-N 2.9Å; V89-L118 HydrophobicContact CB-CD2 4.34Å; V89-L118 HydrophobicContact CG1-CD1 3.86Å; V89-L118 HydrophobicContact CG1-CD2 4.02Å; V89-R121 PolarHBondContact O-NH2 2.93Å
90V89.5Confident89.7Confident36 Ų3639.4 Ų39.422%0.21820%0.197CC..PPolyproline II helixtrans-99.4152.9171.1-62.90000110.6V59 S92 L307V59-V90 WeakPolarHBondContact CG1-O 3.32Å; V90-S92 PolarHBondContact O-N 2.79Å; V90-L307 HydrophobicContact CG1-CD2 4.07Å; V90-L307 HydrophobicContact CG1-CG 4.37Å
91P93.5Very high90.7Very high16 Ų1638.6 Ų38.610%0.10419%0.191CC..PPolyproline II helixtrans-56.6134.2176.1-23.633.1000112.2H95 R96P91-H95 HydrophobicContact CB-CB 3.63Å; P91-R96 HydrophobicContact CB-CG 4.41Å; P91-R96 PolarHBondContact O-NE 3.29Å; P91-R96 VanDerWaalsContact O-NE 3.1Å; P91-R96 PolarHBondContact O-NH2 3.18Å
92S95.1Very high91.7Very high3 Ų328.5 Ų28.52%0.02115%0.147CC..PPolyproline II helixtrans-66.4171.4175.870.70000112.2I55 V90 T94 H95 R96I55-S92 WeakPolarHBondContact O-CB 3.23Å; I55-S92 PolarHBondContact O-OG 2.9Å; V90-S92 PolarHBondContact O-N 2.79Å; S92-T94 PolarHBondContact O-N 3.36Å; S92-H95 PolarHBondContact N-ND1 3.43Å; S92-H95 PolarHBondContact O-N 2.91Å; S92-H95 VanDerWaalsContact O-N 3.11Å; S92-H95 PolarHBondContact OG-ND1 3.04Å; S92-R96 WeakPolarHBondContact O-CG 3.48Å; S92-R96 PolarHBondContact O-N 3.36Å; S92-R96 VanDerWaalsContact O-N 3.09Å
93L95.6Very high93.1Very high43 Ų4326.8 Ų26.823%0.22514%0.135CC..Hα-helixtrans-56.6-42.7175-174.8157.7000110.4H95 R96 A97 D283 M286 K287 L297L93-H95 VanDerWaalsContact C-N 3.34Å; L93-H95 PolarHBondContact O-N 3.13Å; L93-R96 PolarHBondContact O-N 3.49Å; L93-R96 VanDerWaalsContact O-N 3.15Å; L93-A97 HydrophobicContact CD2-CB 4.39Å; L93-A97 WeakPolarHBondContact O-CB 3.47Å; L93-A97 PolarHBondContact O-N 2.78Å; L93-D283 HydrophobicContact CB-CB 4.06Å; L93-D283 WeakPolarHBondContact CD2-O 3.3Å; L93-M286 HydrophobicContact CD2-CB 4.2Å; L93-K287 HydrophobicContact CD1-CB 4.08Å; L93-K287 HydrophobicContact CD1-CD 4.42Å; L93-K287 HydrophobicContact CD1-CG 4.37Å; L93-K287 HydrophobicContact CD2-CB 3.98Å; L93-L297 HydrophobicContact CD1-CD1 4.46Å; L93-L297 HydrophobicContact CD2-CD1 3.82Å; L93-L297 HydrophobicContact CG-CD1 4.17Å
94T98.1Very high93.9Very high0 Ų030.9 Ų30.90%015%0.152CC..Hα-helixtrans-56-45.3175.4-62.70000112.3I55 S92 R96 A97 L98 I212 A282 D283 M286I55-T94 HydrophobicContact CB-CG2 3.89Å; I55-T94 HydrophobicContact CD1-CG2 4.37Å; I55-T94 HydrophobicContact CG2-CG2 3.8Å; S92-T94 PolarHBondContact O-N 3.36Å; T94-R96 PolarHBondContact O-N 2.85Å; T94-A97 PolarHBondContact O-N 2.83Å; T94-L98 HydrophobicContact CG2-CD1 4.22Å; T94-L98 VanDerWaalsContact O-CG 3.3Å; T94-L98 WeakPolarHBondContact O-CG 3.48Å; T94-L98 PolarHBondContact O-N 2.78Å; T94-I212 HydrophobicContact CG2-CG2 4.39Å; T94-A282 VanDerWaalsContact OG1-C 3.29Å; T94-A282 PolarHBondContact OG1-O 3.09Å; T94-D283 VanDerWaalsContact CB-OD1 3.32Å; T94-D283 WeakPolarHBondContact CB-OD1 3.35Å; T94-D283 PolarHBondContact N-OD1 3.12Å; T94-D283 WeakPolarHBondContact OG1-CA 3.33Å; T94-D283 PolarHBondContact OG1-N 2.91Å; T94-D283 PolarHBondContact OG1-OD1 3.11Å; T94-M286 HydrophobicContact CG2-CG 3.93Å
95H97.4Very high94.4Very high0 Ų031.1 Ų31.10%015%0.151CC..Hα-helixtrans-62.3-43.4177.5-67.688.4000111.8I55 S56 P91 S92 L93 L98 V99 L118 H119I55-H95 VanDerWaalsContact CD1-CE1 3.49Å; I55-H95 WeakPolarHBondContact CD1-CE1 3.15Å; I55-H95 VanDerWaalsContact CD1-NE2 3.31Å; I55-H95 WeakPolarHBondContact CD1-NE2 3.34Å; S56-H95 PolarHBondContact OG-CE1 3.42Å; P91-H95 HydrophobicContact CB-CB 3.63Å; S92-H95 PolarHBondContact N-ND1 3.43Å; S92-H95 PolarHBondContact O-N 2.91Å; S92-H95 VanDerWaalsContact O-N 3.11Å; S92-H95 PolarHBondContact OG-ND1 3.04Å; L93-H95 VanDerWaalsContact C-N 3.34Å; L93-H95 PolarHBondContact O-N 3.13Å; H95-L98 PolarHBondContact O-N 3.1Å; H95-V99 WeakPolarHBondContact O-CG2 3.33Å; H95-V99 PolarHBondContact O-N 3.27Å; H95-L118 WeakPolarHBondContact NE2-CB 3.31Å; H95-H119 AromaticContact CD2-CE1 3.48Å; H95-H119 PolarHBondContact CD2-CE1 3.03Å; H95-H119 VanDerWaalsContact CD2-CE1 3.48Å; H95-H119 AromaticContact CD2-ND1 3.4Å; H95-H119 PolarHBondContact CD2-ND1 2.94Å; H95-H119 AromaticContact NE2-CE1 3.89Å
96R95.2Very high94.9Very high39 Ų3930.9 Ų30.915%0.14715%0.149CC..Hα-helixtrans-66.9-40178.7-62.3177.7-165.4-129.65.9111.3P91 S92 L93 T94 L98 V99 E100 P298 D305P91-R96 HydrophobicContact CB-CG 4.41Å; P91-R96 PolarHBondContact O-NE 3.29Å; P91-R96 VanDerWaalsContact O-NE 3.1Å; P91-R96 PolarHBondContact O-NH2 3.18Å; S92-R96 WeakPolarHBondContact O-CG 3.48Å; S92-R96 PolarHBondContact O-N 3.36Å; S92-R96 VanDerWaalsContact O-N 3.09Å; L93-R96 PolarHBondContact O-N 3.49Å; L93-R96 VanDerWaalsContact O-N 3.15Å; T94-R96 PolarHBondContact O-N 2.85Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-L98 PolarHBondContact O-N 3.07Å; R96-V99 WeakPolarHBondContact O-CB 3.33Å; R96-V99 PolarHBondContact O-N 3.48Å; R96-E100 PolarHBondContact O-N 3.21Å; R96-E100 VanDerWaalsContact O-N 3.07Å; R96-P298 HydrophobicContact CB-CG 4.37Å; R96-D305 IonicContact CZ-OD1 3.48Å; R96-D305 IonicContact CZ-OD2 4Å; R96-D305 IonicContact NH1-OD1 3.82Å; R96-D305 PolarHBondContact NH1-OD1 2.87Å; R96-D305 IonicContact NH1-OD2 2.82Å; R96-D305 VanDerWaalsContact NH2-CG 3.35Å; R96-D305 IonicContact NH2-OD1 2.74Å; R96-D305 PolarHBondContact NH2-OD1 3.25Å; R96-D305 IonicContact NH2-OD2 3.82Å; R96-D305 PolarHBondContact NH2-OD2 3.47Å
97A97.3Very high95.3Very high0 Ų030.8 Ų30.80%015%0.149CC..Hα-helixtrans-61.5-41.117500000112.1L93 T94 V99 E100 L101 M286 L297L93-A97 HydrophobicContact CD2-CB 4.39Å; L93-A97 WeakPolarHBondContact O-CB 3.47Å; L93-A97 PolarHBondContact O-N 2.78Å; T94-A97 PolarHBondContact O-N 2.83Å; A97-V99 VanDerWaalsContact C-N 3.3Å; A97-V99 PolarHBondContact O-N 2.95Å; A97-E100 PolarHBondContact O-N 2.84Å; A97-L101 WeakPolarHBondContact O-CB 3.06Å; A97-L101 VanDerWaalsContact O-CG 3.26Å; A97-L101 WeakPolarHBondContact O-CG 3.45Å; A97-L101 PolarHBondContact O-N 3.34Å; A97-M286 HydrophobicContact CB-CB 4.03Å; A97-M286 HydrophobicContact CB-CE 4.11Å; A97-L297 VanDerWaalsContact CA-CD2 3.48Å; A97-L297 HydrophobicContact CB-CD2 3.68Å
98L98.2Very high95.8Very high1 Ų129.6 Ų29.61%0.00514%0.143CC..Hα-helixtrans-64.2-34.5176-69.9171000112.7V49 T51 T94 H95 R96 L101 E102 V107 L110 F124 I212 M286V49-L98 HydrophobicContact CB-CD2 4.24Å; V49-L98 HydrophobicContact CG1-CD1 4.43Å; V49-L98 HydrophobicContact CG1-CD2 3.81Å; V49-L98 HydrophobicContact CG2-CD2 3.97Å; T51-L98 HydrophobicContact CG2-CD1 3.91Å; T94-L98 HydrophobicContact CG2-CD1 4.22Å; T94-L98 VanDerWaalsContact O-CG 3.3Å; T94-L98 WeakPolarHBondContact O-CG 3.48Å; T94-L98 PolarHBondContact O-N 2.78Å; H95-L98 PolarHBondContact O-N 3.1Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-L98 PolarHBondContact O-N 3.07Å; L98-L101 HydrophobicContact CD2-CD1 4.43Å; L98-E102 WeakPolarHBondContact O-CB 3.35Å; L98-E102 PolarHBondContact O-N 3.1Å; L98-V107 HydrophobicContact CD2-CG2 4.46Å; L98-L110 HydrophobicContact CD1-CD1 4.23Å; L98-L110 HydrophobicContact CD1-CD2 4.44Å; L98-F124 HydrophobicContact CB-CD2 4.31Å; L98-F124 HydrophobicContact CB-CE2 4.25Å; L98-F124 WeakPolarHBondContact O-CE2 3.3Å; L98-I212 HydrophobicContact CD2-CD1 4.49Å; L98-M286 HydrophobicContact CD2-CE 4.09Å; L98-M286 HydrophobicContact CG-CE 4.48Å
99V96.2Very high96.3Very high7 Ų723.3 Ų23.34%0.04212%0.116CC..Hα-helixtrans-63.7-46.7172.1172.80000110.7H95 R96 A97 E102 K103 S122 F124H95-V99 WeakPolarHBondContact O-CG2 3.33Å; H95-V99 PolarHBondContact O-N 3.27Å; R96-V99 WeakPolarHBondContact O-CB 3.33Å; R96-V99 PolarHBondContact O-N 3.48Å; A97-V99 VanDerWaalsContact C-N 3.3Å; A97-V99 PolarHBondContact O-N 2.95Å; V99-E102 PolarHBondContact O-N 3.33Å; V99-K103 HydrophobicContact CG1-CD 4.24Å; V99-K103 WeakPolarHBondContact O-CG 3.4Å; V99-K103 PolarHBondContact O-N 3.18Å; V99-S122 WeakPolarHBondContact CG2-OG 3.46Å; V99-F124 HydrophobicContact CG2-CB 4.01Å; V99-F124 HydrophobicContact CG2-CD2 4.22Å
100E96.4Very high96.8Very high29 Ų2923.2 Ų23.214%0.13612%0.115CC..Hα-helixtrans-68.1-39.5179.7-64.1-50.8132.600112.4R96 A97 E102 K103 H104 I295 L297R96-E100 PolarHBondContact O-N 3.21Å; R96-E100 VanDerWaalsContact O-N 3.07Å; A97-E100 PolarHBondContact O-N 2.84Å; E100-E102 VanDerWaalsContact C-N 3.3Å; E100-E102 PolarHBondContact O-N 2.65Å; E100-K103 PolarHBondContact O-N 3.25Å; E100-K103 IonicContact OE1-NZ 2.87Å; E100-K103 PolarHBondContact OE1-NZ 3.49Å; E100-K103 IonicContact OE2-NZ 3.25Å; E100-H104 PolarHBondContact O-N 3.19Å; E100-H104 PolarHBondContact O-ND1 3.4Å; E100-H104 IonicContact OE2-CE1 3.83Å; E100-I295 HydrophobicContact CB-CG2 3.8Å; E100-L297 HydrophobicContact CB-CD2 4.47Å; E100-L297 HydrophobicContact CG-CD2 4.4Å
101L98.3Very high97.2Very high4 Ų421.6 Ų21.62%0.02111%0.105CC..Hα-helixtrans-63-36.2174.2-71.3165.5000112.2A97 L98 D105 V106 V107 M286 L293 I295A97-L101 WeakPolarHBondContact O-CB 3.06Å; A97-L101 VanDerWaalsContact O-CG 3.26Å; A97-L101 WeakPolarHBondContact O-CG 3.45Å; A97-L101 PolarHBondContact O-N 3.34Å; L98-L101 HydrophobicContact CD2-CD1 4.43Å; L101-D105 PolarHBondContact O-N 2.87Å; L101-V106 HydrophobicContact CB-CB 4.33Å; L101-V106 HydrophobicContact CD2-CB 4.03Å; L101-V106 HydrophobicContact CD2-CG1 3.92Å; L101-V106 HydrophobicContact CD2-CG2 4.34Å; L101-V106 WeakPolarHBondContact O-CA 3.39Å; L101-V106 WeakPolarHBondContact O-CB 3.31Å; L101-V106 PolarHBondContact O-N 3.5Å; L101-V107 HydrophobicContact CB-CB 4.3Å; L101-V107 HydrophobicContact CB-CG2 3.7Å; L101-V107 HydrophobicContact CD1-CG2 4.29Å; L101-V107 PolarHBondContact O-N 3.01Å; L101-M286 HydrophobicContact CD1-CE 3.37Å; L101-L293 HydrophobicContact CD2-CD1 3.83Å; L101-I295 HydrophobicContact CD2-CD1 3.66Å
102E97.7Very high97.4Very high6 Ų621 Ų213%0.02810%0.101CC..Hα-helixtrans-68.1-44.8173.2-174.9-75.9145.300111.3L98 V99 E100 H104 D105 F124 P125 R128 S316 H318L98-E102 WeakPolarHBondContact O-CB 3.35Å; L98-E102 PolarHBondContact O-N 3.1Å; V99-E102 PolarHBondContact O-N 3.33Å; E100-E102 VanDerWaalsContact C-N 3.3Å; E100-E102 PolarHBondContact O-N 2.65Å; E102-H104 VanDerWaalsContact C-N 3.28Å; E102-H104 PolarHBondContact O-N 2.99Å; E102-D105 WeakPolarHBondContact O-CA 3.27Å; E102-D105 PolarHBondContact O-N 2.95Å; E102-F124 HydrophobicContact CB-CD2 4.49Å; E102-F124 HydrophobicContact CB-CE2 3.78Å; E102-F124 HydrophobicContact CB-CZ 4.09Å; E102-F124 HydrophobicContact CG-CE2 4.12Å; E102-F124 HydrophobicContact CG-CZ 3.95Å; E102-P125 VanDerWaalsContact CD-CG 3.43Å; E102-P125 HydrophobicContact CG-CG 3.94Å; E102-P125 WeakPolarHBondContact OE2-CG 3.3Å; E102-R128 VanDerWaalsContact OE1-CD 3.24Å; E102-R128 WeakPolarHBondContact OE1-CD 3.35Å; E102-R128 IonicContact OE1-CZ 3.03Å; E102-R128 IonicContact OE1-NE 3.87Å; E102-R128 IonicContact OE1-NH1 3.69Å; E102-S316 WeakPolarHBondContact OE1-CB 3.17Å; E102-S316 PolarHBondContact OE1-OG 2.89Å; E102-H318 PolarHBondContact O-CD2 3.2Å; E102-H318 VanDerWaalsContact O-CD2 3.29Å; E102-H318 PolarHBondContact O-NE2 2.83Å; E102-H318 IonicContact OE1-CD2 3.53Å
103K96Very high97.6Very high70 Ų7021.8 Ų21.830%0.30411%0.105SC..Hα-helixtrans-60.3-35.3176.2-74.1173-177.3169.10113.1V99 E100 D105 I317 H318V99-K103 HydrophobicContact CG1-CD 4.24Å; V99-K103 WeakPolarHBondContact O-CG 3.4Å; V99-K103 PolarHBondContact O-N 3.18Å; E100-K103 PolarHBondContact O-N 3.25Å; E100-K103 IonicContact OE1-NZ 2.87Å; E100-K103 PolarHBondContact OE1-NZ 3.49Å; E100-K103 IonicContact OE2-NZ 3.25Å; K103-D105 PolarHBondContact O-N 3.23Å; K103-I317 HydrophobicContact CB-CD1 4.4Å; K103-H318 PolarHBondContact O-CE1 3.45Å; K103-H318 PolarHBondContact O-NE2 3.41Å
104H97.4Very high97.7Very high104 Ų10420.1 Ų20.148%0.48110%0.096SC..THydrogen-bonded Turntrans-82.39.3174.4-66.777.4000113E100 E102 V106 I295E100-H104 PolarHBondContact O-N 3.19Å; E100-H104 PolarHBondContact O-ND1 3.4Å; E100-H104 IonicContact OE2-CE1 3.83Å; E102-H104 VanDerWaalsContact C-N 3.28Å; E102-H104 PolarHBondContact O-N 2.99Å; H104-V106 HydrophobicContact CB-CG2 4.16Å; H104-V106 PolarHBondContact O-N 2.8Å; H104-V106 VanDerWaalsContact O-N 3.15Å; H104-I295 HydrophobicContact CB-CD1 3.97Å; H104-I295 HydrophobicContact CB-CG1 4.45Å
105D97.5Very high97.6Very high58 Ų5820.5 Ų20.531%0.3110%0.098SC..THydrogen-bonded Turntrans57.623-178.8-155.228000114.2L101 E102 K103 K108 R128 H318L101-D105 PolarHBondContact O-N 2.87Å; E102-D105 WeakPolarHBondContact O-CA 3.27Å; E102-D105 PolarHBondContact O-N 2.95Å; K103-D105 PolarHBondContact O-N 3.23Å; D105-K108 WeakPolarHBondContact O-CE 2.99Å; D105-K108 PolarHBondContact O-NZ 3Å; D105-K108 IonicContact OD1-NZ 2.64Å; D105-K108 PolarHBondContact OD1-NZ 3.06Å; D105-K108 IonicContact OD2-NZ 2.63Å; D105-K108 PolarHBondContact OD2-NZ 3.3Å; D105-R128 IonicContact OD1-CZ 3.9Å; D105-R128 IonicContact OD1-NH1 3.63Å; D105-R128 PolarHBondContact OD1-NH1 3.15Å; D105-R128 IonicContact OD1-NH2 3.56Å; D105-R128 PolarHBondContact OD1-NH2 3.16Å; D105-H318 PolarHBondContact N-NE2 3.21Å; D105-H318 IonicContact OD1-CD2 3.34Å; D105-H318 IonicContact OD1-CG 3.71Å
106V98.5Very high97.5Very high33 Ų3320.8 Ų20.820%0.210%0.1CC..  trans-76.3-51.6175.2178.80000109.9V41 I47 L101 H104 I295V41-V106 HydrophobicContact CG1-CG1 3.46Å; V41-V106 VanDerWaalsContact CG1-CG1 3.46Å; I47-V106 WeakPolarHBondContact CB-O 3.49Å; I47-V106 HydrophobicContact CD1-CG1 3.81Å; L101-V106 HydrophobicContact CB-CB 4.33Å; L101-V106 HydrophobicContact CD2-CB 4.03Å; L101-V106 HydrophobicContact CD2-CG1 3.92Å; L101-V106 HydrophobicContact CD2-CG2 4.34Å; L101-V106 WeakPolarHBondContact O-CA 3.39Å; L101-V106 WeakPolarHBondContact O-CB 3.31Å; L101-V106 PolarHBondContact O-N 3.5Å; H104-V106 HydrophobicContact CB-CG2 4.16Å; H104-V106 PolarHBondContact O-N 2.8Å; H104-V106 VanDerWaalsContact O-N 3.15Å; V106-I295 HydrophobicContact CG2-CD1 4.04Å
107V98.6Very high97.5Very high3 Ų319.1 Ų19.12%0.01810%0.095CC..EExtended strand (participates in β ladder)trans-88.6116.5177.81700000109.8V49 L98 L101 F124 R128V49-V107 HydrophobicContact CB-CG1 4.46Å; V49-V107 HydrophobicContact CG2-CB 4.48Å; V49-V107 HydrophobicContact CG2-CG1 3.93Å; V49-V107 HydrophobicContact CG2-CG2 3.66Å; L98-V107 HydrophobicContact CD2-CG2 4.46Å; L101-V107 HydrophobicContact CB-CB 4.3Å; L101-V107 HydrophobicContact CB-CG2 3.7Å; L101-V107 HydrophobicContact CD1-CG2 4.29Å; L101-V107 PolarHBondContact O-N 3.01Å; V107-F124 HydrophobicContact CG1-CZ 4.45Å; V107-R128 PolarHBondContact O-NH2 3.48Å
108K98.1Very high97.5Very high35 Ų3519.1 Ų19.115%0.15210%0.095CC..EExtended strand (participates in β ladder)trans-80.9-38.2179.9-59-47.5-169.6-168.90113.3T45 Y46 I47 D105 R128T45-K108 WeakPolarHBondContact O-CE 3.5Å; Y46-K108 HydrophobicContact CD1-CB 3.87Å; Y46-K108 HydrophobicContact CD1-CG 4.1Å; Y46-K108 HydrophobicContact CD2-CB 4.16Å; Y46-K108 HydrophobicContact CD2-CG 3.78Å; Y46-K108 HydrophobicContact CE1-CB 3.61Å; Y46-K108 HydrophobicContact CE1-CG 4.26Å; Y46-K108 HydrophobicContact CE2-CB 3.91Å; Y46-K108 HydrophobicContact CE2-CG 3.93Å; Y46-K108 HydrophobicContact CG-CB 4.14Å; Y46-K108 HydrophobicContact CG-CG 3.87Å; I47-K108 PolarHBondContact O-N 2.94Å; D105-K108 WeakPolarHBondContact O-CE 2.99Å; D105-K108 PolarHBondContact O-NZ 3Å; D105-K108 IonicContact OD1-NZ 2.64Å; D105-K108 PolarHBondContact OD1-NZ 3.06Å; D105-K108 IonicContact OD2-NZ 2.63Å; D105-K108 PolarHBondContact OD2-NZ 3.3Å; K108-R128 VanDerWaalsContact CA-NH2 3.31Å; K108-R128 PolarHBondContact O-NE 3.21Å
109F98.4Very high97.4Very high0 Ų019.4 Ų19.40%010%0.096CC..EExtended strand (participates in β ladder)trans-152.2149.7-179.6-154.1-103.6000111.3I47 V48 V49 V111 R128 A130 L198 H202I47-F109 PolarHBondContact O-N 2.8Å; V48-F109 WeakPolarHBondContact CA-O 3.23Å; V48-F109 HydrophobicContact CG1-CB 4.41Å; V48-F109 HydrophobicContact CG2-CB 4.09Å; V49-F109 PolarHBondContact N-O 2.61Å; F109-V111 HydrophobicContact CD1-CG2 4Å; F109-V111 HydrophobicContact CE1-CG2 4.25Å; F109-R128 VanDerWaalsContact CD2-C 3.47Å; F109-R128 HydrophobicContact CD2-CB 4.23Å; F109-R128 WeakPolarHBondContact CD2-O 3.26Å; F109-A130 HydrophobicContact CE1-CB 3.65Å; F109-A130 HydrophobicContact CZ-CB 4.13Å; F109-L198 HydrophobicContact CE1-CB 4.28Å; F109-L198 HydrophobicContact CZ-CB 3.75Å; F109-H202 HydrophobicContact CB-CB 3.66Å; F109-H202 HydrophobicContact CD1-CB 3.6Å; F109-H202 AromaticContact CD1-CD2 3.82Å; F109-H202 AromaticContact CD1-CG 3.67Å; F109-H202 HydrophobicContact CD2-CB 4.2Å; F109-H202 AromaticContact CD2-CD2 3.29Å; F109-H202 WeakPolarHBondContact CD2-CD2 3.39Å; F109-H202 AromaticContact CD2-CE1 3.35Å; F109-H202 WeakPolarHBondContact CD2-CE1 3.2Å; F109-H202 AromaticContact CD2-CG 3.38Å; F109-H202 AromaticContact CD2-ND1 3.41Å; F109-H202 WeakPolarHBondContact CD2-ND1 3.15Å; F109-H202 AromaticContact CD2-NE2 3.3Å; F109-H202 VanDerWaalsContact CD2-NE2 3.3Å; F109-H202 WeakPolarHBondContact CD2-NE2 3.4Å; F109-H202 HydrophobicContact CE1-CB 4.27Å; F109-H202 AromaticContact CE1-CD2 3.81Å; F109-H202 AromaticContact CE2-CD2 3.27Å; F109-H202 WeakPolarHBondContact CE2-CD2 3.19Å; F109-H202 AromaticContact CE2-CE1 3.8Å; F109-H202 AromaticContact CE2-CG 3.88Å; F109-H202 AromaticContact CE2-NE2 3.25Å; F109-H202 VanDerWaalsContact CE2-NE2 3.25Å; F109-H202 WeakPolarHBondContact CE2-NE2 3.49Å; F109-H202 HydrophobicContact CG-CB 3.56Å; F109-H202 AromaticContact CG-CD2 3.58Å; F109-H202 AromaticContact CG-CE1 3.99Å; F109-H202 AromaticContact CG-CG 3.27Å; F109-H202 AromaticContact CG-ND1 3.56Å; F109-H202 AromaticContact CZ-CD2 3.56Å; F109-H202 AromaticContact CZ-NE2 3.98Å
110L98.9Very high97.3Very high0 Ų019.3 Ų19.30%010%0.095CC..EExtended strand (participates in β ladder)trans-121.6127.3178.2176.961.8000109.6V49 T51 L98 H119 F124 R128 L129 A130V49-L110 HydrophobicContact CB-CD1 3.8Å; V49-L110 HydrophobicContact CG1-CD1 3.75Å; V49-L110 WeakPolarHBondContact O-CA 3.27Å; T51-L110 HydrophobicContact CG2-CD1 3.74Å; L98-L110 HydrophobicContact CD1-CD1 4.23Å; L98-L110 HydrophobicContact CD1-CD2 4.44Å; L110-H119 WeakPolarHBondContact CD2-ND1 3.46Å; L110-F124 HydrophobicContact CB-CD1 4.49Å; L110-F124 HydrophobicContact CB-CE1 3.63Å; L110-F124 HydrophobicContact CB-CE2 4.12Å; L110-F124 HydrophobicContact CB-CZ 3.41Å; L110-F124 VanDerWaalsContact CB-CZ 3.41Å; L110-F124 HydrophobicContact CD2-CD1 4.01Å; L110-F124 HydrophobicContact CD2-CD2 3.82Å; L110-F124 HydrophobicContact CD2-CE1 3.9Å; L110-F124 HydrophobicContact CD2-CE2 3.69Å; L110-F124 HydrophobicContact CD2-CG 3.99Å; L110-F124 HydrophobicContact CD2-CZ 3.75Å; L110-F124 HydrophobicContact CG-CE1 4.42Å; L110-F124 HydrophobicContact CG-CZ 4.23Å; L110-R128 PolarHBondContact N-O 3.37Å; L110-L129 HydrophobicContact CB-CD1 4.05Å; L110-L129 HydrophobicContact CD2-CD1 3.78Å; L110-L129 HydrophobicContact CG-CD1 3.72Å; L110-L129 CarbonylContact O-C 3.52Å; L110-L129 WeakPolarHBondContact O-CA 3.22Å; L110-A130 PolarHBondContact O-N 3.36Å
111V98.8Very high97.1Very high3 Ų319 Ų192%0.0189%0.093CC..EExtended strand (participates in β ladder)trans-111.5125.3173.4-176.60000107.7V48 V49 H50 T51 F109 A130 L132 A199 F224V48-V111 HydrophobicContact CG1-CG2 4.05Å; V49-V111 PolarHBondContact O-N 3.34Å; H50-V111 CarbonylContact C-O 3.58Å; H50-V111 VanDerWaalsContact CA-O 3.28Å; H50-V111 WeakPolarHBondContact CA-O 3.4Å; T51-V111 PolarHBondContact N-O 2.88Å; F109-V111 HydrophobicContact CD1-CG2 4Å; F109-V111 HydrophobicContact CE1-CG2 4.25Å; V111-A130 HydrophobicContact CG2-CB 4.45Å; V111-L132 HydrophobicContact CG1-CD1 3.49Å; V111-L132 VanDerWaalsContact CG1-CD1 3.49Å; V111-L132 HydrophobicContact CG1-CD2 4.26Å; V111-L132 HydrophobicContact CG1-CG 3.86Å; V111-A199 HydrophobicContact CG1-CB 4.01Å; V111-A199 HydrophobicContact CG2-CB 3.87Å; V111-F224 HydrophobicContact CG1-CD2 4.17Å; V111-F224 HydrophobicContact CG1-CE2 4.41Å
112T98.8Very high96.9Very high3 Ų320 Ų202%0.01810%0.1CC..EExtended strand (participates in β ladder)trans-123.7140-179.4-164.20000112.9T51 N114 H119 L129 A130 I131 L132T51-T112 WeakPolarHBondContact OG1-CB 3.46Å; T51-T112 PolarHBondContact OG1-OG1 3.27Å; T112-N114 WeakPolarHBondContact OG1-CB 3.45Å; T112-N114 PolarHBondContact OG1-N 3.27Å; T112-N114 VanDerWaalsContact OG1-N 3.12Å; T112-H119 PolarHBondContact OG1-CD2 2.95Å; T112-H119 PolarHBondContact OG1-NE2 2.88Å; T112-L129 HydrophobicContact CG2-CD1 4.01Å; T112-A130 PolarHBondContact N-O 2.92Å; T112-I131 HydrophobicContact CG2-CB 4.33Å; T112-I131 HydrophobicContact CG2-CG1 4.2Å; T112-I131 HydrophobicContact CG2-CG2 4.23Å; T112-L132 PolarHBondContact O-N 2.64Å
113Q98.3Very high96.6Very high20 Ų2020.3 Ų20.39%0.09311%0.105CC..  trans-95.2-3.5168.8-66.5174.270.900111.9T51 H133 S214 A221T51-Q113 PolarHBondContact O-N 3.42Å; Q113-H133 PolarHBondContact O-ND1 3.03Å; Q113-S214 PolarHBondContact NE2-OG 3.25Å; Q113-A221 HydrophobicContact CG-CB 3.82Å
114N97.6Very high96.6Very high7 Ų717 Ų174%0.0379%0.091CC..  trans-83.1140.9-174.5-68-2.7000110.9G52 A53 T112G52-N114 WeakPolarHBondContact CA-OD1 3.21Å; G52-N114 PolarHBondContact O-ND2 3.11Å; G52-N114 PolarHBondContact O-OD1 3.13Å; A53-N114 WeakPolarHBondContact CA-OD1 3.48Å; A53-N114 PolarHBondContact N-OD1 3.22Å; T112-N114 WeakPolarHBondContact OG1-CB 3.45Å; T112-N114 PolarHBondContact OG1-N 3.27Å; T112-N114 VanDerWaalsContact OG1-N 3.12Å
115I96.8Very high96.5Very high9 Ų912.1 Ų12.15%0.0467%0.068CC..  trans-103.1-2.2177.564.5168.7000112.6Y5 G117 H133 G134 M136 I184Y5-I115 HydrophobicContact CD1-CD1 3.51Å; Y5-I115 HydrophobicContact CD2-CD1 3.43Å; Y5-I115 VanDerWaalsContact CD2-CD1 3.43Å; Y5-I115 HydrophobicContact CE1-CD1 3.73Å; Y5-I115 HydrophobicContact CE2-CD1 3.7Å; Y5-I115 HydrophobicContact CG-CD1 3.34Å; I115-G117 PolarHBondContact O-N 3.34Å; I115-H133 HydrophobicContact CG2-CB 3.94Å; I115-H133 WeakPolarHBondContact CG2-O 3.15Å; I115-G134 WeakPolarHBondContact CA-O 3.32Å; I115-M136 HydrophobicContact CB-CG 4.32Å; I115-M136 HydrophobicContact CD1-CG 4.16Å; I115-M136 HydrophobicContact CD1-SD 4.17Å; I115-M136 HydrophobicContact CG1-CG 4.23Å; I115-M136 VanDerWaalsContact O-CB 3.29Å; I115-M136 WeakPolarHBondContact O-CB 3.26Å; I115-M136 WeakPolarHBondContact O-CG 3.25Å; I115-M136 PolarHBondContact O-N 2.88Å; I115-I184 HydrophobicContact CB-CD1 3.86Å; I115-I184 HydrophobicContact CG2-CD1 4.03Å
116D95.6Very high96.4Very high6 Ų69.5 Ų9.53%0.0325%0.054CC..SBendtrans-71.4-11.2-17155.336.1000114.5S56 I61 F86 L118 F137S56-D116 WeakPolarHBondContact CB-OD2 3.43Å; S56-D116 PolarHBondContact OG-OD2 2.79Å; I61-D116 HydrophobicContact CD1-CB 3.66Å; F86-D116 HydrophobicContact CD1-CB 3.88Å; F86-D116 HydrophobicContact CE1-CB 3.68Å; D116-L118 HydrophobicContact CB-CD1 4.44Å; D116-L118 HydrophobicContact CB-CG 4.16Å; D116-L118 PolarHBondContact O-N 3.33Å; D116-L118 WeakPolarHBondContact OD1-CB 3.25Å; D116-L118 PolarHBondContact OD1-N 2.89Å; D116-F137 WeakPolarHBondContact O-CE2 3.43Å
117G95.2Very high96.3Very high4 Ų49.1 Ų9.14%0.0415%0.05CC..  trans70.79.8-179.300000115.1I115 H119 L120 R121 D135I115-G117 PolarHBondContact O-N 3.34Å; G117-H119 VanDerWaalsContact C-N 3.34Å; G117-H119 PolarHBondContact O-N 3.27Å; G117-L120 PolarHBondContact O-N 3.43Å; G117-R121 WeakPolarHBondContact O-CB 3.33Å; G117-R121 VanDerWaalsContact O-CG 3.26Å; G117-R121 WeakPolarHBondContact O-CG 3.41Å; G117-R121 PolarHBondContact O-N 3.3Å; G117-R121 VanDerWaalsContact O-N 3.1Å; G117-D135 VanDerWaalsContact CA-OD1 3.27Å; G117-D135 WeakPolarHBondContact CA-OD1 3.35Å; G117-D135 VanDerWaalsContact CA-OD2 3.24Å; G117-D135 WeakPolarHBondContact CA-OD2 3.22Å
118L95.4Very high96.2Very high0 Ų010.2 Ų10.20%05%0.054CC..Hα-helixtrans-71-26.1-174.1-68.1-179.4000113.5V59 I61 V89 H95 D116 R121 S122V59-L118 HydrophobicContact CG2-CD1 4.01Å; I61-L118 HydrophobicContact CD1-CD1 3.88Å; V89-L118 HydrophobicContact CB-CD2 4.34Å; V89-L118 HydrophobicContact CG1-CD1 3.86Å; V89-L118 HydrophobicContact CG1-CD2 4.02Å; H95-L118 WeakPolarHBondContact NE2-CB 3.31Å; D116-L118 HydrophobicContact CB-CD1 4.44Å; D116-L118 HydrophobicContact CB-CG 4.16Å; D116-L118 PolarHBondContact O-N 3.33Å; D116-L118 WeakPolarHBondContact OD1-CB 3.25Å; D116-L118 PolarHBondContact OD1-N 2.89Å; L118-R121 CarbonylContact O-C 3.53Å; L118-S122 VanDerWaalsContact O-CB 3.3Å; L118-S122 WeakPolarHBondContact O-CB 3.36Å; L118-S122 PolarHBondContact O-N 3.04Å; L118-S122 PolarHBondContact O-OG 3.29Å
119H96.6Very high96.2Very high6 Ų68.5 Ų8.53%0.0285%0.047CC..Hα-helixtrans-66.4-48.2174.1-72.8-53.9000112.3T51 H95 L110 T112 G117 R121 S122 F124 L129T51-H119 PolarHBondContact OG1-NE2 2.63Å; H95-H119 AromaticContact CD2-CE1 3.48Å; H95-H119 PolarHBondContact CD2-CE1 3.03Å; H95-H119 VanDerWaalsContact CD2-CE1 3.48Å; H95-H119 AromaticContact CD2-ND1 3.4Å; H95-H119 PolarHBondContact CD2-ND1 2.94Å; H95-H119 AromaticContact NE2-CE1 3.89Å; L110-H119 WeakPolarHBondContact CD2-ND1 3.46Å; T112-H119 PolarHBondContact OG1-CD2 2.95Å; T112-H119 PolarHBondContact OG1-NE2 2.88Å; G117-H119 VanDerWaalsContact C-N 3.34Å; G117-H119 PolarHBondContact O-N 3.27Å; H119-R121 VanDerWaalsContact C-N 3.32Å; H119-R121 PolarHBondContact O-N 3.44Å; H119-S122 PolarHBondContact O-N 3.26Å; H119-S122 PolarHBondContact O-OG 3.05Å; H119-F124 HydrophobicContact CB-CB 4.49Å; H119-F124 WeakPolarHBondContact O-CB 3.42Å; H119-F124 PolarHBondContact O-N 3.37Å; H119-F124 VanDerWaalsContact O-N 3.14Å; H119-L129 HydrophobicContact CB-CD1 4.4Å; H119-L129 HydrophobicContact CB-CD2 3.98Å
120L94.7Very high96.2Very high5 Ų58.5 Ų8.53%0.0265%0.047CC..Hα-helixtrans-65.4-40.2175.9-70.6-178.7000111.3G117 S122 G123 R126 L129 I131 L138G117-L120 PolarHBondContact O-N 3.43Å; L120-S122 VanDerWaalsContact C-N 3.26Å; L120-S122 PolarHBondContact O-N 2.86Å; L120-G123 PolarHBondContact O-N 3.19Å; L120-G123 VanDerWaalsContact O-N 3.07Å; L120-R126 HydrophobicContact CD2-CB 4.09Å; L120-L129 HydrophobicContact CD2-CD2 3.77Å; L120-L129 HydrophobicContact CG-CD2 4.1Å; L120-I131 HydrophobicContact CD1-CD1 3.89Å; L120-I131 HydrophobicContact CG-CD1 4.17Å; L120-L138 HydrophobicContact CD1-CD1 3.86Å; L120-L138 HydrophobicContact CD1-CD2 4.37Å; L120-L138 HydrophobicContact CD1-CG 4.3Å
121R92.4Very high96.2Very high23 Ų238.9 Ų8.99%0.0875%0.049CC..Hα-helixtrans-74.5-11.7179.8-68.2172.855.9178-7.9114.1F86 E87 V89 G117 L118 H119 G123 Y308 S309F86-R121 PolarHBondContact O-NH1 3.28Å; E87-R121 PolarHBondContact O-NH1 2.9Å; E87-R121 PolarHBondContact O-NH2 2.67Å; V89-R121 PolarHBondContact O-NH2 2.93Å; G117-R121 WeakPolarHBondContact O-CB 3.33Å; G117-R121 VanDerWaalsContact O-CG 3.26Å; G117-R121 WeakPolarHBondContact O-CG 3.41Å; G117-R121 PolarHBondContact O-N 3.3Å; G117-R121 VanDerWaalsContact O-N 3.1Å; L118-R121 CarbonylContact O-C 3.53Å; H119-R121 VanDerWaalsContact C-N 3.32Å; H119-R121 PolarHBondContact O-N 3.44Å; R121-G123 VanDerWaalsContact C-N 3.27Å; R121-Y308 VanDerWaalsContact CZ-CE1 3.5Å; R121-S309 VanDerWaalsContact O-CB 3.24Å; R121-S309 WeakPolarHBondContact O-CB 3.24Å
122S92.8Very high96.2Very high24 Ų248.8 Ų8.817%0.1685%0.048CC..THydrogen-bonded Turntrans-82.1-10.2168.171.70000112.5V99 L118 H119 L120V99-S122 WeakPolarHBondContact CG2-OG 3.46Å; L118-S122 VanDerWaalsContact O-CB 3.3Å; L118-S122 WeakPolarHBondContact O-CB 3.36Å; L118-S122 PolarHBondContact O-N 3.04Å; L118-S122 PolarHBondContact O-OG 3.29Å; H119-S122 PolarHBondContact O-N 3.26Å; H119-S122 PolarHBondContact O-OG 3.05Å; L120-S122 VanDerWaalsContact C-N 3.26Å; L120-S122 PolarHBondContact O-N 2.86Å
123G92.7Very high96.1Very high14 Ų1410.3 Ų10.314%0.1446%0.055CC..THydrogen-bonded Turntrans86.614-17200000113.4L120 R121L120-G123 PolarHBondContact O-N 3.19Å; L120-G123 VanDerWaalsContact O-N 3.07Å; R121-G123 VanDerWaalsContact C-N 3.27Å
124F95.1Very high96.1Very high0 Ų09.5 Ų9.50%05%0.052CC..  trans-63.4129.9171.8-163.3-78.4000109.4L98 V99 E102 V107 L110 H119 R126 R128 L129L98-F124 HydrophobicContact CB-CD2 4.31Å; L98-F124 HydrophobicContact CB-CE2 4.25Å; L98-F124 WeakPolarHBondContact O-CE2 3.3Å; V99-F124 HydrophobicContact CG2-CB 4.01Å; V99-F124 HydrophobicContact CG2-CD2 4.22Å; E102-F124 HydrophobicContact CB-CD2 4.49Å; E102-F124 HydrophobicContact CB-CE2 3.78Å; E102-F124 HydrophobicContact CB-CZ 4.09Å; E102-F124 HydrophobicContact CG-CE2 4.12Å; E102-F124 HydrophobicContact CG-CZ 3.95Å; V107-F124 HydrophobicContact CG1-CZ 4.45Å; L110-F124 HydrophobicContact CB-CD1 4.49Å; L110-F124 HydrophobicContact CB-CE1 3.63Å; L110-F124 HydrophobicContact CB-CE2 4.12Å; L110-F124 HydrophobicContact CB-CZ 3.41Å; L110-F124 VanDerWaalsContact CB-CZ 3.41Å; L110-F124 HydrophobicContact CD2-CD1 4.01Å; L110-F124 HydrophobicContact CD2-CD2 3.82Å; L110-F124 HydrophobicContact CD2-CE1 3.9Å; L110-F124 HydrophobicContact CD2-CE2 3.69Å; L110-F124 HydrophobicContact CD2-CG 3.99Å; L110-F124 HydrophobicContact CD2-CZ 3.75Å; L110-F124 HydrophobicContact CG-CE1 4.42Å; L110-F124 HydrophobicContact CG-CZ 4.23Å; H119-F124 HydrophobicContact CB-CB 4.49Å; H119-F124 WeakPolarHBondContact O-CB 3.42Å; H119-F124 PolarHBondContact O-N 3.37Å; H119-F124 VanDerWaalsContact O-N 3.14Å; F124-R126 PolarHBondContact O-N 2.63Å; F124-R128 HydrophobicContact CE1-CB 4.14Å; F124-R128 WeakPolarHBondContact CE1-O 3.27Å; F124-L129 HydrophobicContact CD1-CB 4.05Å; F124-L129 HydrophobicContact CE1-CB 4.16Å
125P95.3Very high96.1Very high1 Ų19.4 Ų9.41%0.0065%0.052CC..  trans-68.7130.7-171.825.1-33000112.5E102 D127 R128 V313 S316E102-P125 VanDerWaalsContact CD-CG 3.43Å; E102-P125 HydrophobicContact CG-CG 3.94Å; E102-P125 WeakPolarHBondContact OE2-CG 3.3Å; P125-D127 VanDerWaalsContact C-N 3.26Å; P125-D127 PolarHBondContact O-N 3.3Å; P125-R128 HydrophobicContact CG-CB 4.3Å; P125-R128 PolarHBondContact O-N 2.99Å; P125-R128 VanDerWaalsContact O-N 3.15Å; P125-V313 WeakPolarHBondContact CA-O 3.39Å; P125-V313 HydrophobicContact CB-CG1 4.07Å; P125-S316 VanDerWaalsContact CB-N 3.33Å
126R96.2Very high96Very high4 Ų49.3 Ų9.32%0.0155%0.051CC..G310 helixtrans-59.7-34.1-175.7177.766.2-170.1100.4-16.8113.2L120 F124 R128 L129 D195 V313 L314 W327 I329L120-R126 HydrophobicContact CD2-CB 4.09Å; F124-R126 PolarHBondContact O-N 2.63Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 3.19Å; R126-L129 PolarHBondContact NH1-O 2.72Å; R126-L129 PolarHBondContact O-N 3.25Å; R126-D195 IonicContact CZ-OD1 3.56Å; R126-D195 IonicContact NH1-OD1 3.16Å; R126-D195 PolarHBondContact NH1-OD1 2.87Å; R126-D195 IonicContact NH2-OD1 2.84Å; R126-D195 PolarHBondContact NH2-OD1 2.77Å; R126-D195 IonicContact NH2-OD2 3.04Å; R126-D195 PolarHBondContact NH2-OD2 2.87Å; R126-V313 PolarHBondContact N-O 3.05Å; R126-L314 HydrophobicContact CB-CD2 4.49Å; R126-W327 HydrophobicContact CG-CB 4.1Å; R126-W327 HydrophobicContact CG-CD2 4.1Å; R126-W327 HydrophobicContact CG-CG 3.65Å; R126-W327 VanDerWaalsContact CZ-CE2 3.42Å; R126-W327 VanDerWaalsContact NH1-CE2 3.29Å; R126-W327 PolarHBondContact O-NE1 2.85Å; R126-I329 HydrophobicContact CB-CD1 4.49Å; R126-I329 HydrophobicContact CG-CD1 3.81Å
127D95.6Very high95.9Very high24 Ų249.6 Ų9.613%0.1285%0.052CC..G310 helixtrans-74.7-13.8-178.868-15.7000114.4P125 L314 R315 S316 S319P125-D127 VanDerWaalsContact C-N 3.26Å; P125-D127 PolarHBondContact O-N 3.3Å; D127-L314 WeakPolarHBondContact CB-O 3.4Å; D127-L314 PolarHBondContact N-O 3.47Å; D127-R315 VanDerWaalsContact CG-CA 3.48Å; D127-R315 WeakPolarHBondContact OD1-CA 3.25Å; D127-R315 VanDerWaalsContact OD2-CA 3.27Å; D127-R315 WeakPolarHBondContact OD2-CA 3.35Å; D127-R315 VanDerWaalsContact OD2-CB 3.3Å; D127-R315 WeakPolarHBondContact OD2-CB 3.41Å; D127-S316 PolarHBondContact OD1-N 2.93Å; D127-S316 PolarHBondContact OD2-N 3.45Å; D127-S319 VanDerWaalsContact OD2-CB 3.32Å; D127-S319 WeakPolarHBondContact OD2-CB 3.29Å; D127-S319 PolarHBondContact OD2-OG 2.86Å
128R96.7Very high96Very high26 Ų269.7 Ų9.710%0.0985%0.052CC..G310 helixtrans-107.117171.5-65.3175.377.3141.3-18.3113E102 D105 V107 K108 F109 L110 F124 P125 R126 S316 H318E102-R128 VanDerWaalsContact OE1-CD 3.24Å; E102-R128 WeakPolarHBondContact OE1-CD 3.35Å; E102-R128 IonicContact OE1-CZ 3.03Å; E102-R128 IonicContact OE1-NE 3.87Å; E102-R128 IonicContact OE1-NH1 3.69Å; D105-R128 IonicContact OD1-CZ 3.9Å; D105-R128 IonicContact OD1-NH1 3.63Å; D105-R128 PolarHBondContact OD1-NH1 3.15Å; D105-R128 IonicContact OD1-NH2 3.56Å; D105-R128 PolarHBondContact OD1-NH2 3.16Å; V107-R128 PolarHBondContact O-NH2 3.48Å; K108-R128 VanDerWaalsContact CA-NH2 3.31Å; K108-R128 PolarHBondContact O-NE 3.21Å; F109-R128 VanDerWaalsContact CD2-C 3.47Å; F109-R128 HydrophobicContact CD2-CB 4.23Å; F109-R128 WeakPolarHBondContact CD2-O 3.26Å; L110-R128 PolarHBondContact N-O 3.37Å; F124-R128 HydrophobicContact CE1-CB 4.14Å; F124-R128 WeakPolarHBondContact CE1-O 3.27Å; P125-R128 HydrophobicContact CG-CB 4.3Å; P125-R128 PolarHBondContact O-N 2.99Å; P125-R128 VanDerWaalsContact O-N 3.15Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 3.19Å; R128-S316 WeakPolarHBondContact CD-OG 3.45Å; R128-H318 PolarHBondContact NH1-CD2 2.87Å
129L98.2Very high96.1Very high0 Ų09.9 Ų9.90%05%0.053CC..EExtended strand (participates in β ladder)trans-123.6135.8-176.2178.761.3000110.7L110 T112 H119 L120 F124 R126 I131L110-L129 HydrophobicContact CB-CD1 4.05Å; L110-L129 HydrophobicContact CD2-CD1 3.78Å; L110-L129 HydrophobicContact CG-CD1 3.72Å; L110-L129 CarbonylContact O-C 3.52Å; L110-L129 WeakPolarHBondContact O-CA 3.22Å; T112-L129 HydrophobicContact CG2-CD1 4.01Å; H119-L129 HydrophobicContact CB-CD1 4.4Å; H119-L129 HydrophobicContact CB-CD2 3.98Å; L120-L129 HydrophobicContact CD2-CD2 3.77Å; L120-L129 HydrophobicContact CG-CD2 4.1Å; F124-L129 HydrophobicContact CD1-CB 4.05Å; F124-L129 HydrophobicContact CE1-CB 4.16Å; R126-L129 PolarHBondContact NH1-O 2.72Å; R126-L129 PolarHBondContact O-N 3.25Å; L129-I131 HydrophobicContact CD1-CG1 4.45Å; L129-I131 HydrophobicContact CD2-CD1 3.92Å; L129-I131 HydrophobicContact CD2-CG1 3.8Å; L129-I131 HydrophobicContact CG-CD1 4.44Å; L129-I131 HydrophobicContact CG-CG1 3.8Å
130A98.5Very high96.2Very high0 Ų010.6 Ų10.60%06%0.058CC..EExtended strand (participates in β ladder)trans-112.9121.5163.100000110.1F109 L110 V111 T112 L132 D195 A199F109-A130 HydrophobicContact CE1-CB 3.65Å; F109-A130 HydrophobicContact CZ-CB 4.13Å; L110-A130 PolarHBondContact O-N 3.36Å; V111-A130 HydrophobicContact CG2-CB 4.45Å; T112-A130 PolarHBondContact N-O 2.92Å; A130-L132 HydrophobicContact CB-CD2 4.3Å; A130-D195 WeakPolarHBondContact CA-OD1 3.46Å; A130-D195 HydrophobicContact CB-CB 4.11Å; A130-D195 WeakPolarHBondContact CB-O 3.38Å; A130-A199 HydrophobicContact CB-CB 3.98Å
131I98.4Very high96.3Very high8 Ų810.4 Ų10.44%0.0416%0.057CC..EExtended strand (participates in β ladder)trans-103.796.9178.5-50.9178.6000108.4T112 L120 L129 G134 D135 L138 P192 D195T112-I131 HydrophobicContact CG2-CB 4.33Å; T112-I131 HydrophobicContact CG2-CG1 4.2Å; T112-I131 HydrophobicContact CG2-CG2 4.23Å; L120-I131 HydrophobicContact CD1-CD1 3.89Å; L120-I131 HydrophobicContact CG-CD1 4.17Å; L129-I131 HydrophobicContact CD1-CG1 4.45Å; L129-I131 HydrophobicContact CD2-CD1 3.92Å; L129-I131 HydrophobicContact CD2-CG1 3.8Å; L129-I131 HydrophobicContact CG-CD1 4.44Å; L129-I131 HydrophobicContact CG-CG1 3.8Å; I131-G134 VanDerWaalsContact CG2-C 3.49Å; I131-G134 WeakPolarHBondContact CG2-O 3.49Å; I131-D135 HydrophobicContact CD1-CB 4.31Å; I131-D135 HydrophobicContact CG2-CB 4.25Å; I131-L138 HydrophobicContact CD1-CD1 4.23Å; I131-P192 WeakPolarHBondContact O-CG 3.36Å; I131-D195 PolarHBondContact N-OD1 3.25Å
132L98.5Very high96.5Very high0 Ų012.6 Ų12.60%08%0.075CC..THydrogen-bonded Turntrans-79.7-29.4-166.9-59.3179.8000114.3V111 T112 A130 L185 L191 P192 A199 A221 F224V111-L132 HydrophobicContact CG1-CD1 3.49Å; V111-L132 VanDerWaalsContact CG1-CD1 3.49Å; V111-L132 HydrophobicContact CG1-CD2 4.26Å; V111-L132 HydrophobicContact CG1-CG 3.86Å; T112-L132 PolarHBondContact O-N 2.64Å; A130-L132 HydrophobicContact CB-CD2 4.3Å; L132-L185 VanDerWaalsContact O-CD1 3.31Å; L132-L185 WeakPolarHBondContact O-CD1 3.3Å; L132-L191 HydrophobicContact CB-CD2 4.18Å; L132-L191 HydrophobicContact CD2-CD2 4.29Å; L132-P192 WeakPolarHBondContact O-CD 3.4Å; L132-A199 HydrophobicContact CD2-CB 4.02Å; L132-A221 HydrophobicContact CD1-CB 3.49Å; L132-A221 VanDerWaalsContact CD1-CB 3.49Å; L132-F224 HydrophobicContact CD1-CD2 4.24Å; L132-F224 HydrophobicContact CD1-CE2 3.6Å; L132-F224 HydrophobicContact CD2-CE2 4.14Å
133H97.8Very high96.6Very high35 Ų3514.9 Ų14.916%0.16210%0.096CC..THydrogen-bonded Turntrans-111.313.2-173.7-57.8156.6000113.1Q113 I115 L185Q113-H133 PolarHBondContact O-ND1 3.03Å; I115-H133 HydrophobicContact CG2-CB 3.94Å; I115-H133 WeakPolarHBondContact CG2-O 3.15Å; H133-L185 PolarHBondContact O-N 2.86Å
134G97.5Very high96.8Very high4 Ų416 Ų164%0.04110%0.101CC..  trans87.2175.1-173.900000113.9I115 I131 T183I115-G134 WeakPolarHBondContact CA-O 3.32Å; I131-G134 VanDerWaalsContact CG2-C 3.49Å; I131-G134 WeakPolarHBondContact CG2-O 3.49Å; G134-T183 WeakPolarHBondContact CA-O 3.41Å
135D97Very high96.8Very high5 Ų518.4 Ų18.43%0.02713%0.125CC..  trans-133.3128.4178-171.6-43.1000108.9G117 I131 F137 L138 T183 I184G117-D135 VanDerWaalsContact CA-OD1 3.27Å; G117-D135 WeakPolarHBondContact CA-OD1 3.35Å; G117-D135 VanDerWaalsContact CA-OD2 3.24Å; G117-D135 WeakPolarHBondContact CA-OD2 3.22Å; I131-D135 HydrophobicContact CD1-CB 4.31Å; I131-D135 HydrophobicContact CG2-CB 4.25Å; D135-F137 PolarHBondContact O-N 2.7Å; D135-F137 WeakPolarHBondContact OD1-CA 3.45Å; D135-F137 WeakPolarHBondContact OD1-CB 3.31Å; D135-F137 PolarHBondContact OD1-N 2.97Å; D135-L138 HydrophobicContact CB-CB 4.01Å; D135-L138 HydrophobicContact CB-CD1 3.8Å; D135-L138 HydrophobicContact CB-CG 3.79Å; D135-L138 PolarHBondContact O-N 2.81Å; D135-T183 PolarHBondContact N-OG1 3.5Å; D135-T183 PolarHBondContact O-OG1 3.39Å; D135-I184 VanDerWaalsContact C-CD1 3.47Å
136M94.9Very high96.9Very high7 Ų718.3 Ų18.33%0.03413%0.125CC..THydrogen-bonded Turntrans-60.2-19.5-179.2-74.5-62.5-48.300112F86 I115 P153 S154 I184F86-M136 HydrophobicContact CD2-CB 4.46Å; F86-M136 HydrophobicContact CD2-CG 4.03Å; F86-M136 HydrophobicContact CE2-CG 3.79Å; F86-M136 HydrophobicContact CE2-SD 4.42Å; F86-M136 HydrophobicContact CZ-CG 4.37Å; I115-M136 HydrophobicContact CB-CG 4.32Å; I115-M136 HydrophobicContact CD1-CG 4.16Å; I115-M136 HydrophobicContact CD1-SD 4.17Å; I115-M136 HydrophobicContact CG1-CG 4.23Å; I115-M136 VanDerWaalsContact O-CB 3.29Å; I115-M136 WeakPolarHBondContact O-CB 3.26Å; I115-M136 WeakPolarHBondContact O-CG 3.25Å; I115-M136 PolarHBondContact O-N 2.88Å; M136-P153 HydrophobicContact CB-CB 4.3Å; M136-P153 HydrophobicContact CE-CB 3.87Å; M136-P153 CarbonylContact O-C 3.58Å; M136-P153 VanDerWaalsContact O-CA 3.3Å; M136-P153 WeakPolarHBondContact O-CA 3.41Å; M136-S154 VanDerWaalsContact CE-O 3.27Å; M136-S154 WeakPolarHBondContact CE-O 3.47Å; M136-S154 PolarHBondContact O-N 3.23Å; M136-I184 HydrophobicContact CG-CD1 4.08Å; M136-I184 HydrophobicContact SD-CD1 3.74Å; M136-I184 HydrophobicContact SD-CG1 3.68Å
137F95Very high96.9Very high12 Ų1219 Ų195%0.05313%0.129CC..THydrogen-bonded Turntrans-103.312.2179.1-62.1-93.2000113F86 E87 D116 D135 A149 R150 P153F86-F137 HydrophobicContact CB-CE2 3.89Å; F86-F137 HydrophobicContact CB-CZ 3.85Å; E87-F137 HydrophobicContact CB-CE1 4.49Å; E87-F137 HydrophobicContact CB-CZ 4.49Å; D116-F137 WeakPolarHBondContact O-CE2 3.43Å; D135-F137 PolarHBondContact O-N 2.7Å; D135-F137 WeakPolarHBondContact OD1-CA 3.45Å; D135-F137 WeakPolarHBondContact OD1-CB 3.31Å; D135-F137 PolarHBondContact OD1-N 2.97Å; F137-A149 CarbonylContact O-C 3.51Å; F137-A149 WeakPolarHBondContact O-CA 3.41Å; F137-R150 WeakPolarHBondContact CD1-O 3.23Å; F137-R150 PolarHBondContact O-N 3.43Å; F137-P153 HydrophobicContact CE1-CG 3.89Å; F137-P153 HydrophobicContact CE2-CG 4.3Å; F137-P153 HydrophobicContact CZ-CB 4.47Å; F137-P153 HydrophobicContact CZ-CG 3.61Å
138L96.5Very high97Very high6 Ų617.8 Ų17.83%0.03112%0.123CC..EExtended strand (participates in β ladder)trans-122.1129.4174-63.4-179.9000112L120 I131 D135 Y148 A149 T183 I329L120-L138 HydrophobicContact CD1-CD1 3.86Å; L120-L138 HydrophobicContact CD1-CD2 4.37Å; L120-L138 HydrophobicContact CD1-CG 4.3Å; I131-L138 HydrophobicContact CD1-CD1 4.23Å; D135-L138 HydrophobicContact CB-CB 4.01Å; D135-L138 HydrophobicContact CB-CD1 3.8Å; D135-L138 HydrophobicContact CB-CG 3.79Å; D135-L138 PolarHBondContact O-N 2.81Å; L138-Y148 WeakPolarHBondContact CA-O 3.49Å; L138-A149 HydrophobicContact CD2-CB 4.32Å; L138-T183 HydrophobicContact CB-CG2 4.02Å; L138-T183 WeakPolarHBondContact O-CG2 3.49Å; L138-T183 PolarHBondContact O-N 3.06Å; L138-T183 PolarHBondContact O-OG1 3.07Å; L138-I329 HydrophobicContact CD2-CG2 4.46Å
139D97.6Very high96.9Very high3 Ų316.6 Ų16.62%0.01612%0.118CC..EExtended strand (participates in β ladder)trans-104.5158.4159.5-73.2-3.1000109.7L147 Y148 R150 S154 L180 R181 D182 H332D139-L147 CarbonylContact O-C 3.13Å; D139-L147 VanDerWaalsContact O-CA 3.3Å; D139-L147 WeakPolarHBondContact O-CA 3.19Å; D139-Y148 PolarHBondContact N-O 2.85Å; D139-Y148 PolarHBondContact O-N 3.17Å; D139-R150 IonicContact OD2-NE 3.82Å; D139-S154 PolarHBondContact OD1-OG 2.82Å; D139-L180 HydrophobicContact CB-CB 4.32Å; D139-R181 CarbonylContact C-O 3.5Å; D139-R181 WeakPolarHBondContact CA-O 3.49Å; D139-R181 WeakPolarHBondContact CB-O 3.27Å; D139-D182 WeakPolarHBondContact OD1-CA 3.42Å; D139-H332 IonicContact OD2-CD2 2.88Å; D139-H332 IonicContact OD2-NE2 3.89Å; D139-H332 PolarHBondContact OD2-NE2 3.15Å; D139-H332 VanDerWaalsContact OD2-NE2 3.16Å
140T98Very high96.7Very high21 Ų2118.2 Ų18.213%0.12912%0.124CC..EExtended strand (participates in β ladder)trans-127.1143.3174.8-172.20000111.4L180 R181 T183T140-L180 CarbonylContact O-C 3.42Å; T140-L180 WeakPolarHBondContact O-CA 3.34Å; T140-R181 HydrophobicContact CG2-CG 3.63Å; T140-R181 PolarHBondContact N-O 3.26Å; T140-R181 PolarHBondContact O-N 3.48Å; T140-T183 HydrophobicContact CG2-CG2 4.09Å
141C97.9Very high96.2Very high2 Ų219.7 Ų19.71%0.01414%0.135CC..EExtended strand (participates in β ladder)trans-79.9120.9172.4179.70000111A143 C144 G145 T146 Y148 C166 L180C141-A143 PolarHBondContact O-N 2.87Å; C141-A143 VanDerWaalsContact O-N 3.12Å; C141-A143 PolarHBondContact SG-N 3.01Å; C141-A143 VanDerWaalsContact SG-N 3.41Å; C141-C144 PolarHBondContact O-N 2.86Å; C141-C144 VanDerWaalsContact SG-SG 3.69Å; C141-G145 WeakPolarHBondContact O-CA 3.47Å; C141-G145 PolarHBondContact O-N 2.76Å; C141-T146 PolarHBondContact N-O 2.61Å; C141-Y148 HydrophobicContact CB-CE2 4.47Å; C141-C166 HydrophobicContact CB-CB 3.87Å; C141-C166 WeakPolarHBondContact SG-CB 3.34Å; C141-L180 HydrophobicContact CB-CD2 3.73Å
142S95.7Very high95.8Very high68 Ų6822.5 Ų22.548%0.47615%0.153SC..THydrogen-bonded Turntrans-64.4-17.6178.5-51.70000114.2K179S142-K179 PolarHBondContact N-O 3.01Å; S142-K179 VanDerWaalsContact N-O 3.11Å
143A96.2Very high95.5Very high72 Ų7223.8 Ų23.860%0.59516%0.161SC*.THydrogen-bonded Turntrans-95.5-33.7-177.800000114C141C141-A143 PolarHBondContact O-N 2.87Å; C141-A143 VanDerWaalsContact O-N 3.12Å; C141-A143 PolarHBondContact SG-N 3.01Å; C141-A143 VanDerWaalsContact SG-N 3.41Å
144C95.7Very high95.3Very high39 Ų3922.6 Ų22.626%0.26416%0.156SC..THydrogen-bonded Turntrans-131.73.5-174.7710000114.9C141 T146 C166 C176C141-C144 PolarHBondContact O-N 2.86Å; C141-C144 VanDerWaalsContact SG-SG 3.69Å; C144-T146 PolarHBondContact O-N 2.81Å; C144-T146 VanDerWaalsContact O-N 3.09Å; C144-T146 PolarHBondContact SG-OG1 3.07Å; C144-C166 VanDerWaalsContact SG-SG 3.61Å; C144-C176 PolarHBondContact SG-SG 3.11Å
145G95.5Very high94.9Very high49 Ų4925.3 Ų25.351%0.50518%0.184SC..  trans67.96.1176.500000115.4C141 L147C141-G145 WeakPolarHBondContact O-CA 3.47Å; C141-G145 PolarHBondContact O-N 2.76Å; G145-L147 PolarHBondContact O-N 3.24Å
146T96.5Very high94.7Very high0 Ų026.2 Ų26.20%019%0.191CC..  trans-66.1129176.9-570000109.9C141 C144 Y148 R328 L330C141-T146 PolarHBondContact N-O 2.61Å; C144-T146 PolarHBondContact O-N 2.81Å; C144-T146 VanDerWaalsContact O-N 3.09Å; C144-T146 PolarHBondContact SG-OG1 3.07Å; T146-Y148 HydrophobicContact CG2-CD2 4.46Å; T146-Y148 HydrophobicContact CG2-CE2 3.85Å; T146-Y148 WeakPolarHBondContact O-CD2 3.27Å; T146-R328 HydrophobicContact CG2-CB 4.39Å; T146-R328 HydrophobicContact CG2-CG 3.97Å; T146-R328 WeakPolarHBondContact OG1-CD 3.2Å; T146-R328 PolarHBondContact OG1-NH1 3.36Å; T146-L330 HydrophobicContact CG2-CD1 3.87Å; T146-L330 HydrophobicContact CG2-CG 4.06Å
147L97.5Very high94.7Very high17 Ų1726 Ų269%0.08919%0.19CC..EExtended strand (participates in β ladder)trans-85.4149176-67167.3000110.4D139 G145 T183 W327 R328 I329 L330D139-L147 CarbonylContact O-C 3.13Å; D139-L147 VanDerWaalsContact O-CA 3.3Å; D139-L147 WeakPolarHBondContact O-CA 3.19Å; G145-L147 PolarHBondContact O-N 3.24Å; L147-T183 HydrophobicContact CD2-CG2 4.12Å; L147-W327 HydrophobicContact CD1-CE3 3.89Å; L147-W327 HydrophobicContact CD1-CZ3 4.32Å; L147-R328 PolarHBondContact N-O 2.99Å; L147-I329 HydrophobicContact CB-CB 4.43Å; L147-I329 HydrophobicContact CB-CG1 4.02Å; L147-I329 HydrophobicContact CB-CG2 4.37Å; L147-I329 HydrophobicContact CD1-CD1 4.28Å; L147-I329 HydrophobicContact CD1-CG1 4.13Å; L147-I329 CarbonylContact O-C 3.49Å; L147-I329 WeakPolarHBondContact O-CA 3.47Å; L147-L330 PolarHBondContact O-N 3.06Å
148Y96.4Very high94.7Very high0 Ų026.2 Ų26.20%020%0.196CC..EExtended strand (participates in β ladder)trans-129.5112.7-178.8-76.6-85.1000110.9L138 D139 C141 T146 C166 T167 Y168 L180 L330 P331 P333L138-Y148 WeakPolarHBondContact CA-O 3.49Å; D139-Y148 PolarHBondContact N-O 2.85Å; D139-Y148 PolarHBondContact O-N 3.17Å; C141-Y148 HydrophobicContact CB-CE2 4.47Å; T146-Y148 HydrophobicContact CG2-CD2 4.46Å; T146-Y148 HydrophobicContact CG2-CE2 3.85Å; T146-Y148 WeakPolarHBondContact O-CD2 3.27Å; Y148-C166 HydrophobicContact CE2-CB 4.29Å; Y148-C166 PolarHBondContact OH-SG 2.9Å; Y148-T167 WeakPolarHBondContact CE1-OG1 3.5Å; Y148-T167 PolarHBondContact OH-N 2.97Å; Y148-T167 PolarHBondContact OH-OG1 2.92Å; Y148-Y168 PolarHBondContact OH-N 3.17Å; Y148-L180 HydrophobicContact CD2-CD1 3.82Å; Y148-L180 HydrophobicContact CD2-CD2 3.56Å; Y148-L180 HydrophobicContact CD2-CG 4.36Å; Y148-L180 HydrophobicContact CE2-CD1 4.28Å; Y148-L180 HydrophobicContact CE2-CD2 3.55Å; Y148-L180 HydrophobicContact CG-CD1 3.95Å; Y148-L180 HydrophobicContact CG-CD2 4.49Å; Y148-L330 CarbonylContact C-O 3.54Å; Y148-L330 VanDerWaalsContact CA-O 3.25Å; Y148-L330 WeakPolarHBondContact CA-O 3.31Å; Y148-L330 HydrophobicContact CD1-CB 3.93Å; Y148-L330 HydrophobicContact CE1-CB 3.74Å; Y148-L330 HydrophobicContact CE1-CD1 4.02Å; Y148-L330 HydrophobicContact CE1-CG 4.49Å; Y148-P331 WeakPolarHBondContact CD1-O 3.3Å; Y148-P333 HydrophobicContact CD1-CG 4.49Å; Y148-P333 HydrophobicContact CE1-CG 4.32Å
149A95.5Very high94.7Very high1 Ų127.7 Ų27.71%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-77.4122.2178.800000111.7F137 L138 I312 I329 L330 H332 N335 L339F137-A149 CarbonylContact O-C 3.51Å; F137-A149 WeakPolarHBondContact O-CA 3.41Å; L138-A149 HydrophobicContact CD2-CB 4.32Å; A149-I312 HydrophobicContact CB-CD1 3.26Å; A149-I329 HydrophobicContact CB-CG2 3.9Å; A149-L330 PolarHBondContact N-O 2.81Å; A149-H332 WeakPolarHBondContact O-CB 3.48Å; A149-H332 PolarHBondContact O-N 3.15Å; A149-N335 PolarHBondContact O-ND2 2.8Å; A149-L339 HydrophobicContact CB-CD1 4.03Å; A149-L339 WeakPolarHBondContact O-CD1 3.26Å
150R93.2Very high94.7Very high33 Ų3334 Ų3413%0.12523%0.227CC..  trans-97.2144.2-177.8-50.2-167.771.29.1-6.2110.5F137 D139 T152 H332 T334 N335F137-R150 WeakPolarHBondContact CD1-O 3.23Å; F137-R150 PolarHBondContact O-N 3.43Å; D139-R150 IonicContact OD2-NE 3.82Å; R150-T152 VanDerWaalsContact C-N 3.3Å; R150-T152 WeakPolarHBondContact CB-O 3.32Å; R150-H332 HydrophobicContact CG-CB 4.07Å; R150-H332 PolarHBondContact NH1-CE1 3.39Å; R150-H332 PolarHBondContact NH1-ND1 2.79Å; R150-T334 PolarHBondContact NH1-OG1 2.65Å; R150-T334 PolarHBondContact NH2-OG1 2.72Å; R150-N335 WeakPolarHBondContact CA-OD1 3.47Å
151S89.7Confident94.6Very high32 Ų3239.2 Ų39.222%0.22425%0.25CC..SBendtrans-80.4-15.3169.659.90000112.7N335S151-N335 PolarHBondContact N-OD1 3.12Å; S151-N335 PolarHBondContact OG-OD1 3.19Å
152T90.2Very high94.3Very high67 Ų6740.7 Ų40.741%0.41126%0.26SS..SBendtrans-130.8151.7178.556.50000109.5R150R150-T152 VanDerWaalsContact C-N 3.3Å; R150-T152 WeakPolarHBondContact CB-O 3.32Å
153P91.8Very high94.2Very high27 Ų2742.4 Ų42.418%0.17527%0.272CS..  trans-54.7149.7176.8-24.733.6000112.3F86 E87 M136 F137F86-P153 HydrophobicContact CB-CG 3.8Å; F86-P153 HydrophobicContact CD2-CG 4.48Å; E87-P153 WeakPolarHBondContact OE2-CG 3.43Å; M136-P153 HydrophobicContact CB-CB 4.3Å; M136-P153 HydrophobicContact CE-CB 3.87Å; M136-P153 CarbonylContact O-C 3.58Å; M136-P153 VanDerWaalsContact O-CA 3.3Å; M136-P153 WeakPolarHBondContact O-CA 3.41Å; F137-P153 HydrophobicContact CE1-CG 3.89Å; F137-P153 HydrophobicContact CE2-CG 4.3Å; F137-P153 HydrophobicContact CZ-CB 4.47Å; F137-P153 HydrophobicContact CZ-CG 3.61Å
154S92.8Very high94.3Very high10 Ų1040.4 Ų40.47%0.0725%0.253CS..  trans-61.9144172-159.90000110.4M136 D139 S156 D182M136-S154 VanDerWaalsContact CE-O 3.27Å; M136-S154 WeakPolarHBondContact CE-O 3.47Å; M136-S154 PolarHBondContact O-N 3.23Å; D139-S154 PolarHBondContact OD1-OG 2.82Å; S154-S156 VanDerWaalsContact C-N 3.28Å; S154-D182 WeakPolarHBondContact OG-CB 3.12Å
155G90Very high94.3Very high61 Ų6141.5 Ų41.563%0.62926%0.258SS*.SBendtrans-77-18.5-178.900000113K8K8-G155 PolarHBondContact NZ-O 3.07Å
156S93.1Very high94.4Very high24 Ų2439.2 Ų39.217%0.16823%0.234CC..  trans-120.6168-173.957.80000112.9S154 D182S154-S156 VanDerWaalsContact C-N 3.28Å; S156-D182 WeakPolarHBondContact CB-OD2 3.12Å; S156-D182 PolarHBondContact OG-OD2 3.3Å
157V93.8Very high94.4Very high1 Ų142.4 Ų42.41%0.00625%0.254CS..  trans-142.5157.6174.1-46.90000108.4Y5 K8 L9 R160 I184Y5-V157 HydrophobicContact CD2-CB 4.26Å; Y5-V157 HydrophobicContact CD2-CG1 3.69Å; Y5-V157 HydrophobicContact CE2-CB 4.47Å; Y5-V157 HydrophobicContact CE2-CG1 4.37Å; K8-V157 VanDerWaalsContact C-CG2 3.47Å; K8-V157 HydrophobicContact CB-CB 4.36Å; K8-V157 HydrophobicContact CB-CG1 4.04Å; K8-V157 HydrophobicContact CB-CG2 3.36Å; K8-V157 HydrophobicContact CD-CG1 4.1Å; K8-V157 VanDerWaalsContact O-CG2 3.3Å; K8-V157 WeakPolarHBondContact O-CG2 3.48Å; L9-V157 HydrophobicContact CD2-CG2 4.07Å; V157-R160 WeakPolarHBondContact O-CD 3.27Å; V157-R160 VanDerWaalsContact O-CG 3.31Å; V157-R160 WeakPolarHBondContact O-CG 3.5Å; V157-R160 PolarHBondContact O-NE 3.12Å; V157-I184 HydrophobicContact CB-CB 4.23Å; V157-I184 HydrophobicContact CB-CG2 3.8Å; V157-I184 HydrophobicContact CG1-CG2 4.12Å
158G95.9Very high94.4Very high17 Ų1744.6 Ų44.618%0.17526%0.261CS..SBendtrans82.943.5-179.800000111.9R160 D182 I184G158-R160 PolarHBondContact O-N 3.44Å; G158-R160 VanDerWaalsContact O-N 3.07Å; G158-D182 PolarHBondContact N-OD1 2.91Å; G158-I184 CarbonylContact C-O 3.43Å; G158-I184 VanDerWaalsContact CA-O 3.27Å; G158-I184 WeakPolarHBondContact CA-O 3.48Å; G158-I184 PolarHBondContact N-O 2.97Å
159L96.5Very high94.3Very high37 Ų3749 Ų4919%0.19429%0.285CS..SBendtrans53.934.4174.5-56.7-179000113.8D182 I184 L185 D189L159-D182 WeakPolarHBondContact CD2-O 3.38Å; L159-D182 PolarHBondContact N-OD1 3.41Å; L159-D182 VanDerWaalsContact N-OD1 3.12Å; L159-I184 PolarHBondContact N-O 3.42Å; L159-L185 HydrophobicContact CD1-CD2 4.13Å; L159-L185 HydrophobicContact CD2-CD2 4Å; L159-L185 HydrophobicContact CG-CD2 4.25Å; L159-D189 HydrophobicContact CD1-CB 4.06Å
160R96.1Very high94.2Very high136 Ų13652.9 Ų52.951%0.51330%0.301SS..PPolyproline II helixtrans-77136.6-172.6-69.1-175.4-171.6-173.63.3111.1V157 G158 R181 D182V157-R160 WeakPolarHBondContact O-CD 3.27Å; V157-R160 VanDerWaalsContact O-CG 3.31Å; V157-R160 WeakPolarHBondContact O-CG 3.5Å; V157-R160 PolarHBondContact O-NE 3.12Å; G158-R160 PolarHBondContact O-N 3.44Å; G158-R160 VanDerWaalsContact O-N 3.07Å; R160-R181 WeakPolarHBondContact O-CA 3.4Å; R160-R181 VanDerWaalsContact O-CB 3.28Å; R160-R181 WeakPolarHBondContact O-CB 3.33Å; R160-D182 PolarHBondContact N-OD2 3.28Å; R160-D182 PolarHBondContact O-N 3.33Å
161Q96.2Very high94.2Very high130 Ų13059.9 Ų59.961%0.60734%0.335SS*.EExtended strand (participates in β ladder)trans-73133.8177.8-167.8176.2-92.200111.4K179 L180Q161-K179 HydrophobicContact CG-CB 3.51Å; Q161-K179 HydrophobicContact CG-CG 4.19Å; Q161-L180 WeakPolarHBondContact CA-O 3.37Å
162S93Very high94.4Very high33 Ų3361.9 Ų61.923%0.23134%0.343CS..EExtended strand (participates in β ladder)trans-96169.2171.781.10000111.5V164 L180S162-V164 PolarHBondContact O-N 2.96Å; S162-V164 WeakPolarHBondContact OG-CB 3.28Å; S162-V164 PolarHBondContact OG-N 3.43Å; S162-L180 PolarHBondContact N-O 2.83Å; S162-L180 PolarHBondContact OG-O 2.84Å
163S93.9Very high94.5Very high104 Ų10467.1 Ų67.173%0.72736%0.36SS*.EExtended strand (participates in β ladder)trans-72.7-16.3173.456.30000112.9K179S163-K179 PolarHBondContact O-NZ 3.22Å
164V96.3Very high94.6Very high31 Ų3174.4 Ų74.419%0.18838%0.384CS..EExtended strand (participates in β ladder)trans-70.4141-175.8-172.10000110.5S162 L180 P333 T334S162-V164 PolarHBondContact O-N 2.96Å; S162-V164 WeakPolarHBondContact OG-CB 3.28Å; S162-V164 PolarHBondContact OG-N 3.43Å; V164-L180 HydrophobicContact CB-CD1 4.22Å; V164-L180 HydrophobicContact CB-CG 4.46Å; V164-L180 HydrophobicContact CG1-CD1 3.78Å; V164-L180 HydrophobicContact CG1-CG 4.38Å; V164-L180 PolarHBondContact O-N 2.66Å; V164-P333 HydrophobicContact CG1-CB 4.34Å; V164-P333 HydrophobicContact CG1-CG 4.12Å; V164-T334 HydrophobicContact CG1-CG2 4.32Å; V164-T334 HydrophobicContact CG2-CG2 3.89Å
165V97.1Very high94.7Very high61 Ų6177 Ų7737%0.3740%0.402SS..EExtended strand (participates in β ladder)trans-110.3146.4-177.9-64.40000111.5T167 K179V165-T167 PolarHBondContact O-N 3.13Å; V165-K179 HydrophobicContact CG1-CD 4.12Å
166C97.8Very high95.1Very high1 Ų174.8 Ų74.81%0.00738%0.376CS..  trans-65.3123.1177.8178.70000111.5C141 C144 Y148 Y168 C176 R177 G178 L180C141-C166 HydrophobicContact CB-CB 3.87Å; C141-C166 WeakPolarHBondContact SG-CB 3.34Å; C144-C166 VanDerWaalsContact SG-SG 3.61Å; Y148-C166 HydrophobicContact CE2-CB 4.29Å; Y148-C166 PolarHBondContact OH-SG 2.9Å; C166-Y168 WeakPolarHBondContact SG-CB 3.01Å; C166-Y168 PolarHBondContact SG-N 3.25Å; C166-C176 HydrophobicContact CB-CB 4.12Å; C166-C176 VanDerWaalsContact SG-CB 3.59Å; C166-R177 WeakPolarHBondContact O-CA 3.36Å; C166-R177 PolarHBondContact O-N 3.24Å; C166-G178 WeakPolarHBondContact CB-O 3.43Å; C166-G178 PolarHBondContact N-O 3.23Å; C166-L180 HydrophobicContact CB-CD2 3.86Å
167T96.2Very high95.2Very high68 Ų6882.8 Ų82.842%0.41740%0.403SS..  trans-91.32.5176.855.10000113.6Y148 V165 L169 P333Y148-T167 WeakPolarHBondContact CE1-OG1 3.5Å; Y148-T167 PolarHBondContact OH-N 2.97Å; Y148-T167 PolarHBondContact OH-OG1 2.92Å; V165-T167 PolarHBondContact O-N 3.13Å; T167-L169 PolarHBondContact O-N 3.01Å; T167-P333 HydrophobicContact CG2-CB 4.13Å; T167-P333 HydrophobicContact CG2-CG 3.63Å
168Y96.1Very high95.4Very high62 Ų6283.3 Ų83.324%0.24341%0.409CS..  trans-59.9125.5179.4172.5-109.4000110.4Y148 C166 K170 C175 C176 R328 L330Y148-Y168 PolarHBondContact OH-N 3.17Å; C166-Y168 WeakPolarHBondContact SG-CB 3.01Å; C166-Y168 PolarHBondContact SG-N 3.25Å; Y168-K170 HydrophobicContact CD1-CG 4.26Å; Y168-K170 HydrophobicContact CE1-CG 4.09Å; Y168-C175 CarbonylContact O-C 3.55Å; Y168-C175 WeakPolarHBondContact O-CA 3.42Å; Y168-C176 PolarHBondContact O-N 3.36Å; Y168-R328 PolarHBondContact OH-NH1 2.87Å; Y168-L330 HydrophobicContact CD2-CD1 4.31Å
169L95.9Very high95.5Very high93 Ų9386.4 Ų86.449%0.48742%0.417SS..BIsolated β-bridgetrans-84.7114.9177.5-163.270.8000109.7T167 K173T167-L169 PolarHBondContact O-N 3.01Å; L169-K173 VanDerWaalsContact CD1-C 3.44Å; L169-K173 VanDerWaalsContact CD1-O 3.24Å; L169-K173 WeakPolarHBondContact CD1-O 3.48Å
170K93.6Very high95.6Very high82 Ų8284.7 Ų84.736%0.35741%0.408SS..  trans-71.4167175.1-65.5173.3174.3171.80110.5Y168 N172 K173 R174Y168-K170 HydrophobicContact CD1-CG 4.26Å; Y168-K170 HydrophobicContact CE1-CG 4.09Å; K170-N172 WeakPolarHBondContact CB-OD1 3.36Å; K170-N172 PolarHBondContact O-N 3.46Å; K170-N172 VanDerWaalsContact O-N 3.1Å; K170-K173 WeakPolarHBondContact O-CA 3.43Å; K170-K173 PolarHBondContact O-N 3.28Å; K170-R174 WeakPolarHBondContact CB-O 3.21Å; K170-R174 PolarHBondContact N-O 2.87Å
171H91.7Very high95.6Very high181 Ų18182.3 Ų82.384%0.83840%0.399SS*.THydrogen-bonded Turntrans-53.3-33.3178.166.8-91.5000113.3K173H171-K173 PolarHBondContact O-N 3.11Å
172N94.2Very high95.7Very high73 Ų7376.1 Ų76.139%0.3937%0.371SS..THydrogen-bonded Turntrans-80.515.6177.368.41.1000113.9K170 R174K170-N172 WeakPolarHBondContact CB-OD1 3.36Å; K170-N172 PolarHBondContact O-N 3.46Å; K170-N172 VanDerWaalsContact O-N 3.1Å; N172-R174 PolarHBondContact O-N 3.27Å; N172-R174 VanDerWaalsContact O-N 3.12Å; N172-R174 WeakPolarHBondContact OD1-CB 3.24Å; N172-R174 PolarHBondContact OD1-N 2.97Å; N172-R174 VanDerWaalsContact OD1-N 3.14Å
173K92.3Very high96Very high178 Ų17875.6 Ų75.677%0.77437%0.366SS*.SBendtrans59.418.5-179-54.5-179.5-179.9179.80114.7L169 K170 H171L169-K173 VanDerWaalsContact CD1-C 3.44Å; L169-K173 VanDerWaalsContact CD1-O 3.24Å; L169-K173 WeakPolarHBondContact CD1-O 3.48Å; K170-K173 WeakPolarHBondContact O-CA 3.43Å; K170-K173 PolarHBondContact O-N 3.28Å; H171-K173 PolarHBondContact O-N 3.11Å
174R95.3Very high96.1Very high180 Ų18070.7 Ų70.768%0.67933%0.331SS*.  trans-99.6139.1171.3-62.8-174.5-177.6149.61.6110.8K170 N172K170-R174 WeakPolarHBondContact CB-O 3.21Å; K170-R174 PolarHBondContact N-O 2.87Å; N172-R174 PolarHBondContact O-N 3.27Å; N172-R174 VanDerWaalsContact O-N 3.12Å; N172-R174 WeakPolarHBondContact OD1-CB 3.24Å; N172-R174 PolarHBondContact OD1-N 2.97Å; N172-R174 VanDerWaalsContact OD1-N 3.14Å
175C94.7Very high96.1Very high64 Ų6469.9 Ų69.943%0.43233%0.326SS..BIsolated β-bridgetrans-63.8143.6171.4-64.70000110.5Y168 R177Y168-C175 CarbonylContact O-C 3.55Å; Y168-C175 WeakPolarHBondContact O-CA 3.42Å; C175-R177 HydrophobicContact CB-CG 3.98Å; C175-R177 PolarHBondContact O-N 3.19Å
176C97.3Very high96.1Very high15 Ų1568.3 Ų68.310%0.10132%0.315CS..  trans-60.9-45177.6-178.50000112.4C144 C166 Y168 G178C144-C176 PolarHBondContact SG-SG 3.11Å; C166-C176 HydrophobicContact CB-CB 4.12Å; C166-C176 VanDerWaalsContact SG-CB 3.59Å; Y168-C176 PolarHBondContact O-N 3.36Å; C176-G178 PolarHBondContact O-N 2.99Å
177R96.4Very high95.8Very high191 Ų19170.9 Ų70.972%0.72133%0.325SS*.  trans60.75.8-178.7-5417874.6-178.43.8115.5C166 C175C166-R177 WeakPolarHBondContact O-CA 3.36Å; C166-R177 PolarHBondContact O-N 3.24Å; C175-R177 HydrophobicContact CB-CG 3.98Å; C175-R177 PolarHBondContact O-N 3.19Å
178G97.3Very high95.7Very high13 Ų1376.2 Ų76.213%0.13435%0.345CS..PPolyproline II helixtrans-60.6148.7170.400000111.3C166 C176C166-G178 WeakPolarHBondContact CB-O 3.43Å; C166-G178 PolarHBondContact N-O 3.23Å; C176-G178 PolarHBondContact O-N 2.99Å
179K97.7Very high95.7Very high82 Ų8275.8 Ų75.836%0.35735%0.347SS..EExtended strand (participates in β ladder)trans-70.8144.8-180-65.9-75175.8176.30111.1S142 Q161 S163 V165S142-K179 PolarHBondContact N-O 3.01Å; S142-K179 VanDerWaalsContact N-O 3.11Å; Q161-K179 HydrophobicContact CG-CB 3.51Å; Q161-K179 HydrophobicContact CG-CG 4.19Å; S163-K179 PolarHBondContact O-NZ 3.22Å; V165-K179 HydrophobicContact CG1-CD 4.12Å
180L98.1Very high95.7Very high0 Ų078.4 Ų78.40%036%0.362CS..EExtended strand (participates in β ladder)trans-86.4150.4172.5-56.4-168.8000109.6D139 T140 C141 Y148 Q161 S162 V164 C166D139-L180 HydrophobicContact CB-CB 4.32Å; T140-L180 CarbonylContact O-C 3.42Å; T140-L180 WeakPolarHBondContact O-CA 3.34Å; C141-L180 HydrophobicContact CB-CD2 3.73Å; Y148-L180 HydrophobicContact CD2-CD1 3.82Å; Y148-L180 HydrophobicContact CD2-CD2 3.56Å; Y148-L180 HydrophobicContact CD2-CG 4.36Å; Y148-L180 HydrophobicContact CE2-CD1 4.28Å; Y148-L180 HydrophobicContact CE2-CD2 3.55Å; Y148-L180 HydrophobicContact CG-CD1 3.95Å; Y148-L180 HydrophobicContact CG-CD2 4.49Å; Q161-L180 WeakPolarHBondContact CA-O 3.37Å; S162-L180 PolarHBondContact N-O 2.83Å; S162-L180 PolarHBondContact OG-O 2.84Å; V164-L180 HydrophobicContact CB-CD1 4.22Å; V164-L180 HydrophobicContact CB-CG 4.46Å; V164-L180 HydrophobicContact CG1-CD1 3.78Å; V164-L180 HydrophobicContact CG1-CG 4.38Å; V164-L180 PolarHBondContact O-N 2.66Å; C166-L180 HydrophobicContact CB-CD2 3.86Å
181R97.7Very high95.9Very high87 Ų8776.4 Ų76.433%0.32836%0.355SS..EExtended strand (participates in β ladder)trans-135.6154.8170.260.9175.4-177.9160.83.4109.9D139 T140 R160D139-R181 CarbonylContact C-O 3.5Å; D139-R181 WeakPolarHBondContact CA-O 3.49Å; D139-R181 WeakPolarHBondContact CB-O 3.27Å; T140-R181 HydrophobicContact CG2-CG 3.63Å; T140-R181 PolarHBondContact N-O 3.26Å; T140-R181 PolarHBondContact O-N 3.48Å; R160-R181 WeakPolarHBondContact O-CA 3.4Å; R160-R181 VanDerWaalsContact O-CB 3.28Å; R160-R181 WeakPolarHBondContact O-CB 3.33Å
182D97.5Very high96.1Very high0 Ų069.7 Ų69.70%033%0.327CS..EExtended strand (participates in β ladder)trans-62.9160.7170.569.482.2000111.1D139 S154 S156 G158 L159 R160 I184D139-D182 WeakPolarHBondContact OD1-CA 3.42Å; S154-D182 WeakPolarHBondContact OG-CB 3.12Å; S156-D182 WeakPolarHBondContact CB-OD2 3.12Å; S156-D182 PolarHBondContact OG-OD2 3.3Å; G158-D182 PolarHBondContact N-OD1 2.91Å; L159-D182 WeakPolarHBondContact CD2-O 3.38Å; L159-D182 PolarHBondContact N-OD1 3.41Å; L159-D182 VanDerWaalsContact N-OD1 3.12Å; R160-D182 PolarHBondContact N-OD2 3.28Å; R160-D182 PolarHBondContact O-N 3.33Å; D182-I184 WeakPolarHBondContact OD1-CB 3.38Å; D182-I184 PolarHBondContact OD1-N 3.4Å
183T98Very high96.2Very high22 Ų2272 Ų7214%0.13534%0.339CS..  trans-97.3-0.4178.457.40000113.2G134 D135 L138 T140 L147G134-T183 WeakPolarHBondContact CA-O 3.41Å; D135-T183 PolarHBondContact N-OG1 3.5Å; D135-T183 PolarHBondContact O-OG1 3.39Å; L138-T183 HydrophobicContact CB-CG2 4.02Å; L138-T183 WeakPolarHBondContact O-CG2 3.49Å; L138-T183 PolarHBondContact O-N 3.06Å; L138-T183 PolarHBondContact O-OG1 3.07Å; T140-T183 HydrophobicContact CG2-CG2 4.09Å; L147-T183 HydrophobicContact CD2-CG2 4.12Å
184I97.3Very high96.3Very high0 Ų066.9 Ų66.90%032%0.32CS..  trans-79.6127.1-171.8-58-58000109.7Y5 I115 D135 M136 V157 G158 L159 D182Y5-I184 HydrophobicContact CD2-CG2 3.72Å; Y5-I184 HydrophobicContact CE2-CG2 3.27Å; I115-I184 HydrophobicContact CB-CD1 3.86Å; I115-I184 HydrophobicContact CG2-CD1 4.03Å; D135-I184 VanDerWaalsContact C-CD1 3.47Å; M136-I184 HydrophobicContact CG-CD1 4.08Å; M136-I184 HydrophobicContact SD-CD1 3.74Å; M136-I184 HydrophobicContact SD-CG1 3.68Å; V157-I184 HydrophobicContact CB-CB 4.23Å; V157-I184 HydrophobicContact CB-CG2 3.8Å; V157-I184 HydrophobicContact CG1-CG2 4.12Å; G158-I184 CarbonylContact C-O 3.43Å; G158-I184 VanDerWaalsContact CA-O 3.27Å; G158-I184 WeakPolarHBondContact CA-O 3.48Å; G158-I184 PolarHBondContact N-O 2.97Å; L159-I184 PolarHBondContact N-O 3.42Å; D182-I184 WeakPolarHBondContact OD1-CB 3.38Å; D182-I184 PolarHBondContact OD1-N 3.4Å
185L96.7Very high96.4Very high15 Ų1558.8 Ų58.88%0.07929%0.29CS..  trans-79.2141.1179.5-53.5-172.8000111.4L132 H133 L159 D189 L191L132-L185 VanDerWaalsContact O-CD1 3.31Å; L132-L185 WeakPolarHBondContact O-CD1 3.3Å; H133-L185 PolarHBondContact O-N 2.86Å; L159-L185 HydrophobicContact CD1-CD2 4.13Å; L159-L185 HydrophobicContact CD2-CD2 4Å; L159-L185 HydrophobicContact CG-CD2 4.25Å; L185-D189 HydrophobicContact CB-CB 4.04Å; L185-D189 HydrophobicContact CD2-CB 4.01Å; L185-D189 HydrophobicContact CG-CB 4.5Å; L185-L191 HydrophobicContact CD1-CD1 4.39Å; L185-L191 HydrophobicContact CD1-CG 4.37Å
186D95.6Very high96.6Very high27 Ų2759.7 Ų59.714%0.14429%0.285CS..  trans-85.3176.8156.2-149-20.5000110.5S10 E188 D189S10-D186 VanDerWaalsContact CB-OD2 3.23Å; S10-D186 WeakPolarHBondContact CB-OD2 3.38Å; S10-D186 PolarHBondContact N-OD1 3.3Å; S10-D186 PolarHBondContact N-OD2 2.94Å; S10-D186 PolarHBondContact OG-OD2 3.21Å; D186-E188 VanDerWaalsContact C-N 3.28Å; D186-E188 PolarHBondContact O-N 3.34Å; D186-D189 WeakPolarHBondContact CB-OD2 3.31Å; D186-D189 PolarHBondContact N-OD2 2.73Å; D186-D189 PolarHBondContact O-N 3.46Å
187W93.5Very high96.6Very high55 Ų5562 Ų6221%0.20830%0.296CS..THydrogen-bonded Turntrans-60.2-33.1-172.2-65.798.3000115L9 S10 Y12 K15 W71 M218L9-W187 HydrophobicContact CD1-CZ2 3.85Å; S10-W187 PolarHBondContact O-NE1 3.01Å; Y12-W187 VanDerWaalsContact CB-CD1 3.43Å; Y12-W187 VanDerWaalsContact CB-CG 3.46Å; Y12-W187 AromaticContact CD1-CD2 3.76Å; Y12-W187 HydrophobicContact CD1-CD2 3.76Å; Y12-W187 AromaticContact CD1-CE3 3.62Å; Y12-W187 HydrophobicContact CD1-CE3 3.62Å; Y12-W187 HydrophobicContact CD1-CG 4.19Å; Y12-W187 HydrophobicContact CD1-CZ3 4.12Å; Y12-W187 HydrophobicContact CD2-CB 3.68Å; Y12-W187 HydrophobicContact CD2-CD2 4.29Å; Y12-W187 AromaticContact CD2-CG 3.84Å; Y12-W187 HydrophobicContact CD2-CG 3.84Å; Y12-W187 HydrophobicContact CE1-CE3 4.02Å; Y12-W187 HydrophobicContact CE2-CB 4.15Å; Y12-W187 HydrophobicContact CG-CB 3.95Å; Y12-W187 AromaticContact CG-CD2 3.63Å; Y12-W187 HydrophobicContact CG-CD2 3.63Å; Y12-W187 AromaticContact CG-CE3 3.98Å; Y12-W187 HydrophobicContact CG-CE3 3.98Å; Y12-W187 AromaticContact CG-CG 3.59Å; Y12-W187 HydrophobicContact CG-CG 3.59Å; K15-W187 HydrophobicContact CD-CH2 3.73Å; K15-W187 HydrophobicContact CD-CZ2 3.65Å; K15-W187 VanDerWaalsContact NZ-CE2 3.26Å; W71-W187 HydrophobicContact CH2-CZ2 4.13Å; W71-W187 HydrophobicContact CZ2-CH2 4.04Å; W71-W187 AromaticContact CZ2-CZ2 3.65Å; W71-W187 HydrophobicContact CZ2-CZ2 3.65Å; W187-M218 HydrophobicContact CZ3-CE 4.17Å
188E92.9Very high96.6Very high181 Ų18154 Ų5485%0.84627%0.268SS*.THydrogen-bonded Turntrans-101.1-0.2-175.9-60.2-169151.900113D186D186-E188 VanDerWaalsContact C-N 3.28Å; D186-E188 PolarHBondContact O-N 3.34Å
189D95.7Very high96.6Very high53 Ų5353.4 Ų53.428%0.28326%0.261SS..PPolyproline II helixtrans-74141.6178.3-73.4-38.9000111.3L159 L185 D186L159-D189 HydrophobicContact CD1-CB 4.06Å; L185-D189 HydrophobicContact CB-CB 4.04Å; L185-D189 HydrophobicContact CD2-CB 4.01Å; L185-D189 HydrophobicContact CG-CB 4.5Å; D186-D189 WeakPolarHBondContact CB-OD2 3.31Å; D186-D189 PolarHBondContact N-OD2 2.73Å; D186-D189 PolarHBondContact O-N 3.46Å
190D96Very high96.5Very high148 Ų14850.7 Ų50.779%0.79125%0.252SS*.PPolyproline II helixtrans-68.6145.7172.2-73.3-43.5000111.6
191L97.4Very high96.4Very high39 Ų3954.9 Ų54.920%0.20427%0.271CS..PPolyproline II helixtrans-61.1146.2171.8-84.767.3000110.8L132 L185 L193 Y196 P220L132-L191 HydrophobicContact CB-CD2 4.18Å; L132-L191 HydrophobicContact CD2-CD2 4.29Å; L185-L191 HydrophobicContact CD1-CD1 4.39Å; L185-L191 HydrophobicContact CD1-CG 4.37Å; L191-L193 PolarHBondContact O-N 3.29Å; L191-Y196 HydrophobicContact CD2-CD2 4.1Å; L191-P220 HydrophobicContact CD1-CG 4.44Å; L191-P220 HydrophobicContact CD2-CG 3.62Å
192P96.7Very high96.3Very high41 Ų4151.9 Ų51.927%0.26626%0.261SS..  trans-59.5115.117621.1-28.5000110.4I131 L132 L194 D195 Y196I131-P192 WeakPolarHBondContact O-CG 3.36Å; L132-P192 WeakPolarHBondContact O-CD 3.4Å; P192-L194 VanDerWaalsContact C-N 3.28Å; P192-L194 PolarHBondContact O-N 3.34Å; P192-L194 VanDerWaalsContact O-N 3.15Å; P192-D195 HydrophobicContact CB-CB 4.39Å; P192-D195 HydrophobicContact CG-CB 4.01Å; P192-D195 PolarHBondContact O-N 3.22Å; P192-Y196 WeakPolarHBondContact O-CB 3.48Å; P192-Y196 PolarHBondContact O-N 2.73Å
193L95.6Very high96.2Very high122 Ų12251.9 Ų51.964%0.63926%0.261SS*.Hα-helixtrans-55-39.6-168.2-177.161.4000113.8L191 N197L191-L193 PolarHBondContact O-N 3.29Å; L193-N197 WeakPolarHBondContact O-CB 3.43Å; L193-N197 PolarHBondContact O-N 3.15Å; L193-N197 PolarHBondContact O-ND2 2.97Å
194L95.6Very high96.1Very high69 Ų6955.5 Ų55.536%0.36128%0.275SS..Hα-helixtrans-67.8-50.9179.917958.4000111.7P192 Y196 N197 L198 P326 W327P192-L194 VanDerWaalsContact C-N 3.28Å; P192-L194 PolarHBondContact O-N 3.34Å; P192-L194 VanDerWaalsContact O-N 3.15Å; L194-Y196 VanDerWaalsContact C-N 3.31Å; L194-Y196 PolarHBondContact O-N 3.34Å; L194-N197 PolarHBondContact O-N 3.48Å; L194-L198 HydrophobicContact CD1-CD1 4.11Å; L194-L198 HydrophobicContact CD1-CG 4.33Å; L194-L198 HydrophobicContact CG-CD1 4.16Å; L194-L198 WeakPolarHBondContact O-CG 3.35Å; L194-L198 PolarHBondContact O-N 3.39Å; L194-P326 HydrophobicContact CD1-CB 4.44Å; L194-P326 HydrophobicContact CD2-CB 3.97Å; L194-W327 HydrophobicContact CB-CH2 4.07Å; L194-W327 HydrophobicContact CB-CZ3 4.46Å; L194-W327 HydrophobicContact CD2-CD2 4.33Å; L194-W327 HydrophobicContact CD2-CE3 3.86Å; L194-W327 HydrophobicContact CD2-CH2 3.33Å; L194-W327 HydrophobicContact CD2-CZ2 3.87Å; L194-W327 HydrophobicContact CD2-CZ3 3.34Å; L194-W327 HydrophobicContact CG-CH2 3.46Å; L194-W327 VanDerWaalsContact CG-CH2 3.46Å; L194-W327 HydrophobicContact CG-CZ2 3.95Å; L194-W327 HydrophobicContact CG-CZ3 3.98Å
195D97.8Very high95.9Very high11 Ų1160 Ų606%0.05929%0.294CS..Hα-helixtrans-61.6-39.7175.7-68.3-90.2000111.6R126 A130 I131 P192 L198 A199 W327R126-D195 IonicContact CZ-OD1 3.56Å; R126-D195 IonicContact NH1-OD1 3.16Å; R126-D195 PolarHBondContact NH1-OD1 2.87Å; R126-D195 IonicContact NH2-OD1 2.84Å; R126-D195 PolarHBondContact NH2-OD1 2.77Å; R126-D195 IonicContact NH2-OD2 3.04Å; R126-D195 PolarHBondContact NH2-OD2 2.87Å; A130-D195 WeakPolarHBondContact CA-OD1 3.46Å; A130-D195 HydrophobicContact CB-CB 4.11Å; A130-D195 WeakPolarHBondContact CB-O 3.38Å; I131-D195 PolarHBondContact N-OD1 3.25Å; P192-D195 HydrophobicContact CB-CB 4.39Å; P192-D195 HydrophobicContact CG-CB 4.01Å; P192-D195 PolarHBondContact O-N 3.22Å; D195-L198 PolarHBondContact O-N 2.92Å; D195-A199 VanDerWaalsContact O-CB 3.3Å; D195-A199 WeakPolarHBondContact O-CB 3.43Å; D195-A199 PolarHBondContact O-N 3.41Å; D195-W327 WeakPolarHBondContact OD2-CH2 3.47Å
196Y97.8Very high95.9Very high83 Ų8359.3 Ų59.333%0.32529%0.29SS..Hα-helixtrans-59.2-49.9174.5172.5-95.8000111.6L191 P192 L194 L198 A199 V200 P220 F224L191-Y196 HydrophobicContact CD2-CD2 4.1Å; P192-Y196 WeakPolarHBondContact O-CB 3.48Å; P192-Y196 PolarHBondContact O-N 2.73Å; L194-Y196 VanDerWaalsContact C-N 3.31Å; L194-Y196 PolarHBondContact O-N 3.34Å; Y196-L198 PolarHBondContact O-N 2.69Å; Y196-A199 PolarHBondContact O-N 3.34Å; Y196-V200 HydrophobicContact CD1-CG2 4.46Å; Y196-V200 HydrophobicContact CE1-CG2 3.99Å; Y196-V200 HydrophobicContact CE2-CG2 4.1Å; Y196-V200 WeakPolarHBondContact O-CG2 3.16Å; Y196-V200 PolarHBondContact O-N 3.47Å; Y196-P220 HydrophobicContact CD2-CG 4.15Å; Y196-P220 HydrophobicContact CE2-CB 4.16Å; Y196-P220 HydrophobicContact CE2-CG 3.77Å; Y196-F224 HydrophobicContact CD2-CE1 4.25Å; Y196-F224 AromaticContact CD2-CZ 3.73Å; Y196-F224 HydrophobicContact CD2-CZ 3.73Å; Y196-F224 AromaticContact CE2-CE1 3.83Å; Y196-F224 HydrophobicContact CE2-CE1 3.83Å; Y196-F224 AromaticContact CE2-CZ 3.76Å; Y196-F224 HydrophobicContact CE2-CZ 3.76Å
197N96.6Very high95.9Very high64 Ų6459.4 Ų59.434%0.34229%0.291SS..Hα-helixtrans-63.9-42.3-179-74-22.7000111.7L193 L194 V200 E201L193-N197 WeakPolarHBondContact O-CB 3.43Å; L193-N197 PolarHBondContact O-N 3.15Å; L193-N197 PolarHBondContact O-ND2 2.97Å; L194-N197 PolarHBondContact O-N 3.48Å; N197-V200 PolarHBondContact O-N 3.25Å; N197-E201 WeakPolarHBondContact O-CB 3.45Å; N197-E201 PolarHBondContact O-N 3.07Å
198L96.5Very high96.1Very high23 Ų2356.8 Ų56.812%0.1228%0.281CS..Hα-helixtrans-63-44.7174.8-70.3168.1000111.1F109 L194 D195 Y196 V200 E201 H202 W327F109-L198 HydrophobicContact CE1-CB 4.28Å; F109-L198 HydrophobicContact CZ-CB 3.75Å; L194-L198 HydrophobicContact CD1-CD1 4.11Å; L194-L198 HydrophobicContact CD1-CG 4.33Å; L194-L198 HydrophobicContact CG-CD1 4.16Å; L194-L198 WeakPolarHBondContact O-CG 3.35Å; L194-L198 PolarHBondContact O-N 3.39Å; D195-L198 PolarHBondContact O-N 2.92Å; Y196-L198 PolarHBondContact O-N 2.69Å; L198-V200 VanDerWaalsContact C-N 3.3Å; L198-V200 PolarHBondContact O-N 3.32Å; L198-E201 PolarHBondContact O-N 2.97Å; L198-H202 WeakPolarHBondContact O-CB 3.42Å; L198-H202 PolarHBondContact O-CD2 2.88Å; L198-H202 PolarHBondContact O-N 2.91Å; L198-W327 HydrophobicContact CD1-CH2 4.33Å; L198-W327 HydrophobicContact CD1-CZ2 3.53Å
199A97.5Very high96.4Very high0 Ų048.2 Ų48.20%024%0.241CC..Hα-helixtrans-58.1-43.1176.400000111.8V111 A130 L132 D195 Y196 S203 F224V111-A199 HydrophobicContact CG1-CB 4.01Å; V111-A199 HydrophobicContact CG2-CB 3.87Å; A130-A199 HydrophobicContact CB-CB 3.98Å; L132-A199 HydrophobicContact CD2-CB 4.02Å; D195-A199 VanDerWaalsContact O-CB 3.3Å; D195-A199 WeakPolarHBondContact O-CB 3.43Å; D195-A199 PolarHBondContact O-N 3.41Å; Y196-A199 PolarHBondContact O-N 3.34Å; A199-S203 WeakPolarHBondContact O-CB 3.35Å; A199-S203 PolarHBondContact O-N 3.32Å; A199-S203 PolarHBondContact O-OG 2.94Å; A199-F224 HydrophobicContact CB-CD2 4.05Å; A199-F224 HydrophobicContact CB-CE2 3.68Å; A199-F224 HydrophobicContact CB-CZ 4.09Å
200V96.4Very high96.5Very high25 Ų2546.1 Ų46.115%0.15223%0.23CC..Hα-helixtrans-64.7-48175171.20000111.4Y196 N197 L198 S203 K204 F224Y196-V200 HydrophobicContact CD1-CG2 4.46Å; Y196-V200 HydrophobicContact CE1-CG2 3.99Å; Y196-V200 HydrophobicContact CE2-CG2 4.1Å; Y196-V200 WeakPolarHBondContact O-CG2 3.16Å; Y196-V200 PolarHBondContact O-N 3.47Å; N197-V200 PolarHBondContact O-N 3.25Å; L198-V200 VanDerWaalsContact C-N 3.3Å; L198-V200 PolarHBondContact O-N 3.32Å; V200-S203 PolarHBondContact O-N 2.94Å; V200-K204 HydrophobicContact CG1-CD 4.19Å; V200-K204 WeakPolarHBondContact O-CG 3.39Å; V200-K204 PolarHBondContact O-N 3.42Å; V200-F224 HydrophobicContact CG2-CD1 4.1Å; V200-F224 HydrophobicContact CG2-CE1 3.53Å; V200-F224 HydrophobicContact CG2-CZ 4.27Å
201E95.2Very high96.7Very high88 Ų8839.1 Ų39.141%0.41119%0.192SC..Hα-helixtrans-59.2-52.4-178.7-177.7-170.9157.800111.5N197 L198 S203 K204 K205N197-E201 WeakPolarHBondContact O-CB 3.45Å; N197-E201 PolarHBondContact O-N 3.07Å; L198-E201 PolarHBondContact O-N 2.97Å; E201-S203 VanDerWaalsContact C-N 3.33Å; E201-S203 PolarHBondContact O-N 3.23Å; E201-K204 PolarHBondContact O-N 3.33Å; E201-K205 PolarHBondContact O-N 2.76Å; E201-K205 WeakPolarHBondContact OE1-CE 3.41Å; E201-K205 IonicContact OE1-NZ 3.13Å; E201-K205 PolarHBondContact OE1-NZ 3.07Å
202H96.1Very high96.7Very high24 Ų2437.3 Ų37.311%0.11118%0.183CC..Hα-helixtrans-67.5-36.5-179.1-74.9-83.1000111.5Y46 V48 F109 L198 K204 K205 A206Y46-H202 HydrophobicContact CE1-CB 4.49Å; Y46-H202 AromaticContact CE1-ND1 3.96Å; Y46-H202 AromaticContact CZ-ND1 3.75Å; Y46-H202 PolarHBondContact OH-CE1 3.05Å; Y46-H202 VanDerWaalsContact OH-CE1 3.25Å; Y46-H202 PolarHBondContact OH-ND1 3.4Å; V48-H202 HydrophobicContact CG2-CB 4.26Å; V48-H202 WeakPolarHBondContact CG2-O 3.22Å; F109-H202 HydrophobicContact CB-CB 3.66Å; F109-H202 HydrophobicContact CD1-CB 3.6Å; F109-H202 AromaticContact CD1-CD2 3.82Å; F109-H202 AromaticContact CD1-CG 3.67Å; F109-H202 HydrophobicContact CD2-CB 4.2Å; F109-H202 AromaticContact CD2-CD2 3.29Å; F109-H202 WeakPolarHBondContact CD2-CD2 3.39Å; F109-H202 AromaticContact CD2-CE1 3.35Å; F109-H202 WeakPolarHBondContact CD2-CE1 3.2Å; F109-H202 AromaticContact CD2-CG 3.38Å; F109-H202 AromaticContact CD2-ND1 3.41Å; F109-H202 WeakPolarHBondContact CD2-ND1 3.15Å; F109-H202 AromaticContact CD2-NE2 3.3Å; F109-H202 VanDerWaalsContact CD2-NE2 3.3Å; F109-H202 WeakPolarHBondContact CD2-NE2 3.4Å; F109-H202 HydrophobicContact CE1-CB 4.27Å; F109-H202 AromaticContact CE1-CD2 3.81Å; F109-H202 AromaticContact CE2-CD2 3.27Å; F109-H202 WeakPolarHBondContact CE2-CD2 3.19Å; F109-H202 AromaticContact CE2-CE1 3.8Å; F109-H202 AromaticContact CE2-CG 3.88Å; F109-H202 AromaticContact CE2-NE2 3.25Å; F109-H202 VanDerWaalsContact CE2-NE2 3.25Å; F109-H202 WeakPolarHBondContact CE2-NE2 3.49Å; F109-H202 HydrophobicContact CG-CB 3.56Å; F109-H202 AromaticContact CG-CD2 3.58Å; F109-H202 AromaticContact CG-CE1 3.99Å; F109-H202 AromaticContact CG-CG 3.27Å; F109-H202 AromaticContact CG-ND1 3.56Å; F109-H202 AromaticContact CZ-CD2 3.56Å; F109-H202 AromaticContact CZ-NE2 3.98Å; L198-H202 WeakPolarHBondContact O-CB 3.42Å; L198-H202 PolarHBondContact O-CD2 2.88Å; L198-H202 PolarHBondContact O-N 2.91Å; H202-K204 VanDerWaalsContact C-N 3.31Å; H202-K204 PolarHBondContact O-N 2.83Å; H202-K205 PolarHBondContact O-N 3.2Å; H202-A206 PolarHBondContact O-N 3.12Å
203S96.2Very high96.8Very high0 Ų035.7 Ų35.70%017%0.174CC..Hα-helixtrans-65.2-33.9175.3-630000112.6A199 V200 E201 K205 A206 H209 N228A199-S203 WeakPolarHBondContact O-CB 3.35Å; A199-S203 PolarHBondContact O-N 3.32Å; A199-S203 PolarHBondContact O-OG 2.94Å; V200-S203 PolarHBondContact O-N 2.94Å; E201-S203 VanDerWaalsContact C-N 3.33Å; E201-S203 PolarHBondContact O-N 3.23Å; S203-K205 VanDerWaalsContact C-N 3.34Å; S203-A206 PolarHBondContact O-N 3.41Å; S203-H209 PolarHBondContact O-CE1 3.2Å; S203-H209 PolarHBondContact O-NE2 3Å; S203-N228 PolarHBondContact O-ND2 3.16Å
204K94.3Very high96.9Very high98 Ų9830.2 Ų30.243%0.42615%0.146SC..Hα-helixtrans-66.9-34173.3-75.3174.4177.5179.40113V200 E201 H202 A206 N228V200-K204 HydrophobicContact CG1-CD 4.19Å; V200-K204 WeakPolarHBondContact O-CG 3.39Å; V200-K204 PolarHBondContact O-N 3.42Å; E201-K204 PolarHBondContact O-N 3.33Å; H202-K204 VanDerWaalsContact C-N 3.31Å; H202-K204 PolarHBondContact O-N 2.83Å; K204-A206 VanDerWaalsContact C-N 3.29Å; K204-N228 WeakPolarHBondContact CA-OD1 3.22Å; K204-N228 PolarHBondContact O-ND2 3.34Å; K204-N228 PolarHBondContact O-OD1 2.61Å
205K94.8Very high97Very high94 Ų9427.6 Ų27.641%0.40913%0.133SC..Hα-helixtrans-74-21.2177.8-67.3173-174.2171.50113Y46 E201 H202 S203Y46-K205 HydrophobicContact CD1-CB 3.78Å; Y46-K205 HydrophobicContact CD2-CB 4.37Å; Y46-K205 HydrophobicContact CE1-CB 3.68Å; Y46-K205 HydrophobicContact CE1-CD 4.41Å; Y46-K205 HydrophobicContact CE2-CB 4.29Å; Y46-K205 HydrophobicContact CE2-CD 4.3Å; Y46-K205 HydrophobicContact CG-CB 4.13Å; E201-K205 PolarHBondContact O-N 2.76Å; E201-K205 WeakPolarHBondContact OE1-CE 3.41Å; E201-K205 IonicContact OE1-NZ 3.13Å; E201-K205 PolarHBondContact OE1-NZ 3.07Å; H202-K205 PolarHBondContact O-N 3.2Å; S203-K205 VanDerWaalsContact C-N 3.34Å
206A96.5Very high97Very high0 Ų027.1 Ų27.10%013%0.131CC..  trans-69.9134.3-170.200000113.8Y46 V48 H202 S203 K204 H209 N228 S258Y46-A206 HydrophobicContact CD1-CB 4.4Å; Y46-A206 WeakPolarHBondContact O-CA 3.34Å; Y46-A206 WeakPolarHBondContact O-CB 3.49Å; V48-A206 HydrophobicContact CB-CB 4.07Å; V48-A206 HydrophobicContact CG2-CB 3.66Å; H202-A206 PolarHBondContact O-N 3.12Å; S203-A206 PolarHBondContact O-N 3.41Å; K204-A206 VanDerWaalsContact C-N 3.29Å; A206-H209 WeakPolarHBondContact CB-NE2 3.3Å; A206-N228 PolarHBondContact O-ND2 3.25Å; A206-S258 PolarHBondContact O-OG 3.18Å
207D95.9Very high96.9Very high30 Ų3024.9 Ų24.916%0.1612%0.123CC..SBendtrans-97.9-17.3166.256.56.6000112.1T45 Y46 S258 K259T45-D207 WeakPolarHBondContact CA-OD2 3.27Å; T45-D207 WeakPolarHBondContact CB-OD2 3.39Å; T45-D207 PolarHBondContact N-OD1 3.48Å; T45-D207 PolarHBondContact N-OD2 3.38Å; T45-D207 PolarHBondContact OG1-OD2 2.99Å; Y46-D207 VanDerWaalsContact C-OD1 3.25Å; Y46-D207 WeakPolarHBondContact CA-OD1 3.32Å; Y46-D207 PolarHBondContact N-OD1 3.4Å; Y46-D207 PolarHBondContact N-OD2 3.46Å; Y46-D207 PolarHBondContact O-N 2.93Å; Y46-D207 VanDerWaalsContact O-OD1 3.06Å; D207-S258 WeakPolarHBondContact O-CA 3.41Å; D207-K259 PolarHBondContact O-N 3.49Å
208L97.6Very high96.8Very high0 Ų024.4 Ų24.40%012%0.12CC..EExtended strand (participates in β ladder)trans-138128.1170.7176.365.1000111.7L40 V41 S44 I47 V48 I210 K259 V261L40-L208 HydrophobicContact CB-CD2 4.22Å; V41-L208 HydrophobicContact CG2-CD2 4.08Å; S44-L208 VanDerWaalsContact OG-CB 3.23Å; S44-L208 WeakPolarHBondContact OG-CB 3.44Å; S44-L208 WeakPolarHBondContact OG-CD2 3.43Å; I47-L208 WeakPolarHBondContact CA-O 3.44Å; I47-L208 HydrophobicContact CD1-CD2 4.1Å; I47-L208 HydrophobicContact CG1-CB 4.27Å; I47-L208 HydrophobicContact CG1-CD2 4.15Å; I47-L208 HydrophobicContact CG2-CD2 4.35Å; I47-L208 HydrophobicContact CG2-CG 4.42Å; V48-L208 PolarHBondContact N-O 3.47Å; L208-I210 HydrophobicContact CD1-CG1 4.48Å; L208-I210 HydrophobicContact CD2-CD1 4.08Å; L208-I210 HydrophobicContact CD2-CG1 4.14Å; L208-I210 HydrophobicContact CG-CD1 4.49Å; L208-I210 HydrophobicContact CG-CG1 4.02Å; L208-K259 HydrophobicContact CD1-CB 3.87Å; L208-V261 HydrophobicContact CD1-CG2 3.83Å
209H98.2Very high96.7Very high0 Ų028.6 Ų28.60%014%0.137CC..EExtended strand (participates in β ladder)trans-104.9134.3168.6-64.5-95.6000110.4V48 H50 S203 A206 P225 S258 K259 L260 V261V48-H209 WeakPolarHBondContact O-CA 3.16Å; H50-H209 AromaticContact CD2-ND1 3.94Å; H50-H209 AromaticContact NE2-ND1 3.14Å; H50-H209 PolarHBondContact NE2-ND1 3.09Å; H50-H209 VanDerWaalsContact NE2-ND1 3.14Å; S203-H209 PolarHBondContact O-CE1 3.2Å; S203-H209 PolarHBondContact O-NE2 3Å; A206-H209 WeakPolarHBondContact CB-NE2 3.3Å; H209-P225 HydrophobicContact CB-CB 3.88Å; H209-P225 WeakPolarHBondContact ND1-CA 3.49Å; H209-S258 PolarHBondContact CD2-OG 3.15Å; H209-S258 VanDerWaalsContact CD2-OG 3.25Å; H209-S258 PolarHBondContact NE2-OG 3.38Å; H209-K259 PolarHBondContact N-O 2.94Å; H209-L260 HydrophobicContact CB-CD1 3.93Å; H209-V261 PolarHBondContact O-N 3.01Å
210I98.7Very high96.6Very high9 Ų930.8 Ų30.85%0.04615%0.151CC..EExtended strand (participates in β ladder)trans-122.9109.8173.7-50.9178.3000108.9L37 V41 I47 V48 V49 H50 L208 I212 V261 I263L37-I210 HydrophobicContact CD1-CD1 4.36Å; V41-I210 HydrophobicContact CG2-CD1 3.9Å; I47-I210 HydrophobicContact CG2-CD1 3.78Å; I47-I210 HydrophobicContact CG2-CG1 4.07Å; V48-I210 PolarHBondContact O-N 2.79Å; V49-I210 CarbonylContact C-O 3.49Å; V49-I210 VanDerWaalsContact CA-O 3.32Å; V49-I210 WeakPolarHBondContact CA-O 3.28Å; V49-I210 HydrophobicContact CG2-CB 4.34Å; H50-I210 PolarHBondContact N-O 3.03Å; L208-I210 HydrophobicContact CD1-CG1 4.48Å; L208-I210 HydrophobicContact CD2-CD1 4.08Å; L208-I210 HydrophobicContact CD2-CG1 4.14Å; L208-I210 HydrophobicContact CG-CD1 4.49Å; L208-I210 HydrophobicContact CG-CG1 4.02Å; I210-I212 HydrophobicContact CG2-CD1 4.18Å; I210-I212 HydrophobicContact CG2-CG1 3.91Å; I210-V261 WeakPolarHBondContact CA-O 3.22Å; I210-V261 HydrophobicContact CG1-CB 4.31Å; I210-V261 HydrophobicContact CG2-CB 4.32Å; I210-V261 HydrophobicContact CG2-CG1 4.2Å; I210-I263 HydrophobicContact CG2-CD1 3.77Å
211C98.8Very high96.6Very high1 Ų129.7 Ų29.71%0.00715%0.145CC..EExtended strand (participates in β ladder)trans-93.2127.6175.6-62.70000110.1H50 L216 V261 I262 I263H50-C211 HydrophobicContact CB-CB 4.44Å; H50-C211 CarbonylContact O-C 3.44Å; H50-C211 WeakPolarHBondContact O-CA 3.41Å; C211-L216 HydrophobicContact CB-CD1 4.09Å; C211-L216 HydrophobicContact CB-CD2 4.28Å; C211-V261 PolarHBondContact N-O 3.31Å; C211-I262 HydrophobicContact CB-CG1 4.33Å; C211-I263 PolarHBondContact O-N 2.97Å
212I98.8Very high96.5Very high1 Ų125.5 Ų25.51%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-128.7122-175.4-41.3179.7000110.1V49 H50 T51 G52 I55 T94 L98 I210 S214 I263 A282 M286V49-I212 HydrophobicContact CG1-CD1 3.78Å; V49-I212 HydrophobicContact CG1-CG1 4.15Å; H50-I212 PolarHBondContact O-N 3.4Å; T51-I212 WeakPolarHBondContact CA-O 3.35Å; G52-I212 PolarHBondContact N-O 3.5Å; I55-I212 HydrophobicContact CG2-CB 3.94Å; I55-I212 HydrophobicContact CG2-CG2 3.58Å; T94-I212 HydrophobicContact CG2-CG2 4.39Å; L98-I212 HydrophobicContact CD2-CD1 4.49Å; I210-I212 HydrophobicContact CG2-CD1 4.18Å; I210-I212 HydrophobicContact CG2-CG1 3.91Å; I212-S214 VanDerWaalsContact C-N 3.29Å; I212-S214 PolarHBondContact O-N 2.96Å; I212-I263 WeakPolarHBondContact CA-O 3.46Å; I212-I263 HydrophobicContact CD1-CD1 4.47Å; I212-I263 HydrophobicContact CG1-CD1 4.17Å; I212-I263 HydrophobicContact CG2-CB 4.24Å; I212-I263 HydrophobicContact CG2-CG2 4.23Å; I212-A282 HydrophobicContact CG2-CB 3.63Å; I212-M286 HydrophobicContact CD1-CE 4.39Å; I212-M286 HydrophobicContact CD1-CG 4.5Å; I212-M286 HydrophobicContact CD1-SD 3.67Å
213G98.5Very high96.5Very high8 Ų825.2 Ų25.28%0.08213%0.129CC..SBendtrans63.731.8172.600000113.9G52 A53 G54 I263 N264G52-G213 CarbonylContact C-O 3.58Å; G52-G213 VanDerWaalsContact CA-O 3.27Å; G52-G213 WeakPolarHBondContact CA-O 3.24Å; A53-G213 PolarHBondContact N-O 3.49Å; G54-G213 WeakPolarHBondContact CA-O 3.44Å; G54-G213 PolarHBondContact N-O 3.23Å; G213-I263 PolarHBondContact N-O 3.03Å; G213-N264 WeakPolarHBondContact CA-OD1 3.46Å
214S98Very high96.4Very high7 Ų725.4 Ų25.45%0.04913%0.13CC..  trans-127.4131176.4-170.70000110.9Q113 I212 L216 N264 T268Q113-S214 PolarHBondContact NE2-OG 3.25Å; I212-S214 VanDerWaalsContact C-N 3.29Å; I212-S214 PolarHBondContact O-N 2.96Å; S214-L216 PolarHBondContact O-N 3.25Å; S214-L216 PolarHBondContact OG-N 2.65Å; S214-N264 PolarHBondContact N-OD1 3.05Å; S214-T268 WeakPolarHBondContact O-CG2 3.48Å
215S97.4Very high96.3Very high14 Ų1421 Ų2110%0.09811%0.111CC..  trans-68.4-8171.462.20000114.2Q217 T268 K269S215-Q217 VanDerWaalsContact C-N 3.26Å; S215-Q217 PolarHBondContact O-N 3.41Å; S215-T268 WeakPolarHBondContact O-CB 3.49Å; S215-K269 PolarHBondContact O-N 3.34Å
216L96.8Very high96Very high1 Ų118.3 Ų18.31%0.00510%0.101CC..  trans53.239.9-179.6-58.7173.5000113.5C211 S214 A222 I262 K269 M270C211-L216 HydrophobicContact CB-CD1 4.09Å; C211-L216 HydrophobicContact CB-CD2 4.28Å; S214-L216 PolarHBondContact O-N 3.25Å; S214-L216 PolarHBondContact OG-N 2.65Å; L216-A222 VanDerWaalsContact C-CB 3.42Å; L216-A222 HydrophobicContact CB-CB 4.02Å; L216-A222 HydrophobicContact CD2-CB 4.49Å; L216-A222 WeakPolarHBondContact O-CB 3.32Å; L216-I262 HydrophobicContact CD1-CD1 3.84Å; L216-I262 HydrophobicContact CD1-CG1 4.3Å; L216-K269 WeakPolarHBondContact O-CB 3.36Å; L216-M270 HydrophobicContact CB-CB 4.44Å; L216-M270 HydrophobicContact CB-CG 3.83Å; L216-M270 HydrophobicContact CD1-CB 3.73Å; L216-M270 HydrophobicContact CD1-CG 3.86Å; L216-M270 HydrophobicContact CG-CG 4.47Å
217Q96.4Very high95Very high36 Ų3620.8 Ų20.817%0.16812%0.116CC..  trans-97.8-22.3179.7-63.9-172.446.300114.1V17 S215V17-Q217 PolarHBondContact O-NE2 2.78Å; S215-Q217 VanDerWaalsContact C-N 3.26Å; S215-Q217 PolarHBondContact O-N 3.41Å
218M94.2Very high93.5Very high53 Ų5320.6 Ų20.626%0.26112%0.115SC..SBendtrans-90.6115.8-176.6-63.4-54.6-59.700110.9R65 W187 A221 A222R65-M218 PolarHBondContact NH2-SD 2.81Å; W187-M218 HydrophobicContact CZ3-CE 4.17Å; M218-A221 PolarHBondContact O-N 3.35Å; M218-A222 VanDerWaalsContact O-CB 3.23Å; M218-A222 WeakPolarHBondContact O-CB 3.24Å; M218-A222 PolarHBondContact O-N 3.34Å
219F94.3Very high91.3Very high112 Ų11224 Ų2449%0.49114%0.136SC..THydrogen-bonded Turntrans-94.7147173.1-77.7-101.8000110.2A222 K269 M270F219-A222 HydrophobicContact CD2-CB 4.21Å; F219-A222 HydrophobicContact CE2-CB 4.1Å; F219-A222 HydrophobicContact CZ-CB 4.39Å; F219-K269 HydrophobicContact CE2-CD 4.01Å; F219-M270 HydrophobicContact CE1-CE 3.96Å; F219-M270 HydrophobicContact CE2-CE 4.05Å; F219-M270 HydrophobicContact CZ-CE 3.29Å
220P95.8Very high88.6Confident45 Ų4529 Ų2929%0.29217%0.169SC..THydrogen-bonded Turncis-82.3-11.58.333-36.6000115.1L191 Y196 A222 G223 F224L191-P220 HydrophobicContact CD1-CG 4.44Å; L191-P220 HydrophobicContact CD2-CG 3.62Å; Y196-P220 HydrophobicContact CD2-CG 4.15Å; Y196-P220 HydrophobicContact CE2-CB 4.16Å; Y196-P220 HydrophobicContact CE2-CG 3.77Å; P220-A222 VanDerWaalsContact C-N 3.3Å; P220-A222 PolarHBondContact O-N 3.37Å; P220-G223 WeakPolarHBondContact O-CA 3.15Å; P220-G223 PolarHBondContact O-N 3.11Å; P220-F224 HydrophobicContact CB-CE1 4.28Å; P220-F224 HydrophobicContact CB-CZ 4.33Å; P220-F224 HydrophobicContact CG-CZ 4.3Å
221A95.2Very high85.6Confident3 Ų336.8 Ų36.83%0.02520%0.203CC..G310 helixtrans-51.2-44.6-173.700000114Q113 L132 M218 G223 F224Q113-A221 HydrophobicContact CG-CB 3.82Å; L132-A221 HydrophobicContact CD1-CB 3.49Å; L132-A221 VanDerWaalsContact CD1-CB 3.49Å; M218-A221 PolarHBondContact O-N 3.35Å; A221-G223 PolarHBondContact O-N 2.88Å; A221-F224 WeakPolarHBondContact O-CD2 3.15Å; A221-F224 PolarHBondContact O-N 3.26Å
222A94.9Very high82.3Confident0 Ų042.7 Ų42.70%024%0.239CC..G310 helixtrans-65.3-22.2178.600000114.2L216 M218 F219 P220 M270L216-A222 VanDerWaalsContact C-CB 3.42Å; L216-A222 HydrophobicContact CB-CB 4.02Å; L216-A222 HydrophobicContact CD2-CB 4.49Å; L216-A222 WeakPolarHBondContact O-CB 3.32Å; M218-A222 VanDerWaalsContact O-CB 3.23Å; M218-A222 WeakPolarHBondContact O-CB 3.24Å; M218-A222 PolarHBondContact O-N 3.34Å; F219-A222 HydrophobicContact CD2-CB 4.21Å; F219-A222 HydrophobicContact CE2-CB 4.1Å; F219-A222 HydrophobicContact CZ-CB 4.39Å; P220-A222 VanDerWaalsContact C-N 3.3Å; P220-A222 PolarHBondContact O-N 3.37Å; A222-M270 HydrophobicContact CB-CE 4.23Å; A222-M270 WeakPolarHBondContact O-CE 3.3Å
223G94.3Very high79.1Confident17 Ų1748.5 Ų48.518%0.17527%0.274CS..G310 helixtrans-87.4-15.5-177.600000114P220 A221 L226P220-G223 WeakPolarHBondContact O-CA 3.15Å; P220-G223 PolarHBondContact O-N 3.11Å; A221-G223 PolarHBondContact O-N 2.88Å; G223-L226 PolarHBondContact O-N 3.21Å
224F94.2Very high75.9Confident5 Ų554.6 Ų54.62%0.02231%0.305CS..G310 helixtrans-57.6-40.3-177.9-64.5-36.4000114.2V111 L132 Y196 A199 V200 P220 A221 L226 T227V111-F224 HydrophobicContact CG1-CD2 4.17Å; V111-F224 HydrophobicContact CG1-CE2 4.41Å; L132-F224 HydrophobicContact CD1-CD2 4.24Å; L132-F224 HydrophobicContact CD1-CE2 3.6Å; L132-F224 HydrophobicContact CD2-CE2 4.14Å; Y196-F224 HydrophobicContact CD2-CE1 4.25Å; Y196-F224 AromaticContact CD2-CZ 3.73Å; Y196-F224 HydrophobicContact CD2-CZ 3.73Å; Y196-F224 AromaticContact CE2-CE1 3.83Å; Y196-F224 HydrophobicContact CE2-CE1 3.83Å; Y196-F224 AromaticContact CE2-CZ 3.76Å; Y196-F224 HydrophobicContact CE2-CZ 3.76Å; A199-F224 HydrophobicContact CB-CD2 4.05Å; A199-F224 HydrophobicContact CB-CE2 3.68Å; A199-F224 HydrophobicContact CB-CZ 4.09Å; V200-F224 HydrophobicContact CG2-CD1 4.1Å; V200-F224 HydrophobicContact CG2-CE1 3.53Å; V200-F224 HydrophobicContact CG2-CZ 4.27Å; P220-F224 HydrophobicContact CB-CE1 4.28Å; P220-F224 HydrophobicContact CB-CZ 4.33Å; P220-F224 HydrophobicContact CG-CZ 4.3Å; A221-F224 WeakPolarHBondContact O-CD2 3.15Å; A221-F224 PolarHBondContact O-N 3.26Å; F224-L226 PolarHBondContact O-N 3.41Å; F224-T227 PolarHBondContact O-N 2.87Å; F224-T227 PolarHBondContact O-OG1 3.22Å
225P93Very high72.7Confident4 Ų460.2 Ų60.23%0.02634%0.335CS..G310 helixtrans-63.9-11.5175.3-21.333.5000115.6H209 L260H209-P225 HydrophobicContact CB-CB 3.88Å; H209-P225 WeakPolarHBondContact ND1-CA 3.49Å; P225-L260 HydrophobicContact CB-CD1 3.79Å; P225-L260 HydrophobicContact CB-CD2 4.36Å; P225-L260 HydrophobicContact CG-CD1 4.46Å
226L88.4Confident69.5Low39 Ų3970.2 Ų70.220%0.20437%0.37CS..G310 helixtrans-105.92.5-178.9-56.8-179000112.9G223 F224 N228 V229 L260 M270 Y273G223-L226 PolarHBondContact O-N 3.21Å; F224-L226 PolarHBondContact O-N 3.41Å; L226-N228 PolarHBondContact O-N 3.23Å; L226-N228 VanDerWaalsContact O-N 3.11Å; L226-V229 HydrophobicContact CD2-CG2 4.32Å; L226-V229 PolarHBondContact O-N 3.06Å; L226-L260 HydrophobicContact CD2-CD2 4.17Å; L226-M270 HydrophobicContact CD1-CE 3.97Å; L226-M270 HydrophobicContact CD1-SD 3.75Å; L226-Y273 HydrophobicContact CD1-CD2 3.89Å; L226-Y273 HydrophobicContact CD1-CE2 4.1Å; L226-Y273 HydrophobicContact CD1-CG 4.35Å; L226-Y273 HydrophobicContact CD2-CD2 4.38Å; L226-Y273 HydrophobicContact CD2-CG 4.14Å
227T76.6Confident66.4Low52 Ų5276.8 Ų76.832%0.31941%0.405SS..THydrogen-bonded Turntrans-61.5-25-174.548.40000113.7F224F224-T227 PolarHBondContact O-N 2.87Å; F224-T227 PolarHBondContact O-OG1 3.22Å
228N63.8Low63.5Low25 Ų2580.8 Ų80.813%0.13443%0.432CS..THydrogen-bonded Turntrans-91.3-15.1177.2-69-13.7000113.1S203 K204 A206 L226 C230S203-N228 PolarHBondContact O-ND2 3.16Å; K204-N228 WeakPolarHBondContact CA-OD1 3.22Å; K204-N228 PolarHBondContact O-ND2 3.34Å; K204-N228 PolarHBondContact O-OD1 2.61Å; A206-N228 PolarHBondContact O-ND2 3.25Å; L226-N228 PolarHBondContact O-N 3.23Å; L226-N228 VanDerWaalsContact O-N 3.11Å; N228-C230 PolarHBondContact O-N 3.41Å
229V52Low60.4Low72 Ų7286 Ų8644%0.43646%0.461SS..  trans-86.749.7-179.8-162.90000109.9L226 K231L226-V229 HydrophobicContact CD2-CG2 4.32Å; L226-V229 PolarHBondContact O-N 3.06Å; V229-K231 VanDerWaalsContact C-N 3.28Å; V229-K231 PolarHBondContact O-N 2.69Å; V229-K231 VanDerWaalsContact O-N 3.09Å
230C39.8Very low57.4Low105 Ų10587.9 Ų87.971%0.70948%0.476SS*.  trans-83.184.2165.8-136.80000107.5N228 T232N228-C230 PolarHBondContact O-N 3.41Å; C230-T232 PolarHBondContact O-N 3.05Å; C230-T232 VanDerWaalsContact O-N 3.15Å
231K35.5Very low54.2Low172 Ų17296.6 Ų96.675%0.74850%0.503SS*.  trans-56.6119.5162.8-75-175.6178.2179.10106.6V229 V233V229-K231 VanDerWaalsContact C-N 3.28Å; V229-K231 PolarHBondContact O-N 2.69Å; V229-K231 VanDerWaalsContact O-N 3.09Å; K231-V233 VanDerWaalsContact C-N 3.32Å; K231-V233 PolarHBondContact O-N 2.98Å
232T30.3Very low51Low126 Ų126102.2 Ų102.277%0.77354%0.54SS*.  trans-52.697.5169.7-4.30000108.1C230 N234C230-T232 PolarHBondContact O-N 3.05Å; C230-T232 VanDerWaalsContact O-N 3.15Å; T232-N234 VanDerWaalsContact C-N 3.32Å; T232-N234 PolarHBondContact O-N 3.06Å
233V31.7Very low47.7Very low122 Ų122111.6 Ų111.674%0.73958%0.581SS**  trans-71.3100.7162.2178.80000104.4K231 N235K231-V233 VanDerWaalsContact C-N 3.32Å; K231-V233 PolarHBondContact O-N 2.98Å; V233-N235 PolarHBondContact O-N 3.29Å
234N30.7Very low44.5Very low136 Ų136118.5 Ų118.573%0.72761%0.612SS**  trans-60.190.9165.6-91.2-19.3000107.4T232 R236T232-N234 VanDerWaalsContact C-N 3.32Å; T232-N234 PolarHBondContact O-N 3.06Å; N234-R236 PolarHBondContact O-N 3.16Å
235N31.7Very low41.4Very low126 Ų126128.7 Ų128.767%0.67465%0.651SS**  trans-76.677.8175.7-153.413.5000108.5V233 N237V233-N235 PolarHBondContact O-N 3.29Å; N235-N237 PolarHBondContact OD1-O 3.32Å
236R30.7Very low38.3Very low223 Ų223135.1 Ų135.184%0.84269%0.685SS**  trans-77.1114.7157.2-73.2-177.5179.2172.7-0.4105.8N234N234-R236 PolarHBondContact O-N 3.16Å
237N30.7Very low35.3Very low139 Ų139137.3 Ų137.374%0.74372%0.717SS**  trans91.795.5-177.9-60.3-21.2000115.4N235N235-N237 PolarHBondContact OD1-O 3.32Å
238T35.5Very low33Very low120 Ų120143.3 Ų143.374%0.73674%0.735SS**  -177.9125.5105.430.20000110.2N240T238-N240 PolarHBondContact O-N 3.19Å; T238-N240 VanDerWaalsContact O-N 3.07Å
239N30.1Very low31.3Very low162 Ų162151.9 Ų151.987%0.86677%0.771SS**  trans-63.399.3161.7-72.9-33.2000108.1
240N31.3Very low30.4Very low152 Ų152155 Ų15581%0.81378%0.784SS**  trans-166.7121.6149.6-100.8-25.6000112.8T238T238-N240 PolarHBondContact O-N 3.19Å; T238-N240 VanDerWaalsContact O-N 3.07Å
241R27.5Very low30Very low228 Ų228158.5 Ų158.586%0.8679%0.79SS**  trans12.3129.3162.6-65.6179.6179-177.1-0.7118.9F243R241-F243 PolarHBondContact O-N 2.54Å
242P27.8Very low30Very low122 Ų122155.2 Ų155.279%0.79279%0.788SS**  trans-72.7114.4172.930.1-29.3000109.9I244P242-I244 PolarHBondContact O-N 2.94Å; P242-I244 VanDerWaalsContact O-N 3.16Å
243F26.5Very low30.5Very low197 Ų197154.2 Ų154.286%0.86479%0.786SS**  trans-68.7106.3162.9-128.3-92.8000107.4R241 R245R241-F243 PolarHBondContact O-N 2.54Å; F243-R245 PolarHBondContact O-N 3.45Å
244I27.6Very low30.9Very low161 Ų161156.9 Ų156.983%0.82679%0.788SS**  trans-68.1100.3171.4-60.1176.5000107P242P242-I244 PolarHBondContact O-N 2.94Å; P242-I244 VanDerWaalsContact O-N 3.16Å
245R27.9Very low31.8Very low220 Ų220153.2 Ų153.283%0.8377%0.768SS**  trans-129.3105.9165.4-140.3-179.3-174.5-167.60.5107.8F243F243-R245 PolarHBondContact O-N 3.45Å
246N27.4Very low32.9Very low138 Ų138153.4 Ų153.474%0.73877%0.769SS**  trans4397.2175.8-70-7000115.6Y248N246-Y248 VanDerWaalsContact C-N 3.32Å; N246-Y248 PolarHBondContact O-N 3.25Å
247G27.2Very low35Very low85 Ų85149.1 Ų149.188%0.87676%0.762SS**  trans-59.587.9173.800000112.7
248Y28.1Very low37.9Very low178 Ų178143.3 Ų143.370%0.69873%0.733SS**  trans-94.3103.9151-86.7-89.2000107.2N246 I250N246-Y248 VanDerWaalsContact C-N 3.32Å; N246-Y248 PolarHBondContact O-N 3.25Å; Y248-I250 PolarHBondContact O-N 3.21Å
249K27.5Very low40.7Very low206 Ų206140.7 Ų140.790%0.89671%0.711SS**  trans-62.7104.5159.3-106.1-179.7173.6-179.90106.3E251K249-E251 PolarHBondContact O-N 2.99Å; K249-E251 VanDerWaalsContact O-N 3.12Å
250I32.6Very low43.9Very low138 Ų138133.3 Ų133.371%0.70867%0.672SS**  trans-73.2101.2169-61.6174.8000105.7Y248 S252Y248-I250 PolarHBondContact O-N 3.21Å; I250-S252 PolarHBondContact O-N 2.49Å
251E31.9Very low47.1Very low178 Ų178126 Ų12683%0.83263%0.633SS**  trans-59.7119.5163.3-75.4-175.2165.100107.8K249 S253K249-E251 PolarHBondContact O-N 2.99Å; K249-E251 VanDerWaalsContact O-N 3.12Å; E251-S253 PolarHBondContact O-N 2.88Å
252S36.2Very low50.5Low103 Ų103115.3 Ų115.372%0.7259%0.593SS**  trans-72.970.6178.859.40000110I250 K254I250-S252 PolarHBondContact O-N 2.49Å; S252-K254 PolarHBondContact O-N 3.28Å
253S40Very low53.9Low105 Ų105109.6 Ų109.673%0.73456%0.555SS**  trans-74.6102.9157.9-175.10000107.1E251 N255E251-S253 PolarHBondContact O-N 2.88Å; S253-N255 PolarHBondContact O-N 3.43Å
254K41.1Very low57.4Low177 Ų177100.9 Ų100.977%0.7752%0.518SS*.  trans-70.286.9177.6-70.7174.3175.5177.10109.4S252 L256S252-K254 PolarHBondContact O-N 3.28Å; K254-L256 VanDerWaalsContact C-N 3.3Å
255N48.6Very low60.7Low59 Ų5995.1 Ų95.132%0.31649%0.488SS..  trans-97.167.2153.7-115.50.7000108.1S253 D257 S258S253-N255 PolarHBondContact O-N 3.43Å; N255-D257 PolarHBondContact O-N 2.86Å; N255-D257 VanDerWaalsContact O-N 3.12Å; N255-S258 PolarHBondContact O-N 2.65Å
256L55.3Low64Low131 Ų13185.4 Ų85.469%0.68645%0.452SS*.THydrogen-bonded Turntrans-62.8-14.9179.1-136.383.4000112.2K254K254-L256 VanDerWaalsContact C-N 3.3Å
257D75.2Confident67.4Low132 Ų13281.1 Ų81.171%0.70643%0.432SS*.THydrogen-bonded Turntrans-103.914.1-174.3-64.7-23.9000113.9N255 K259N255-D257 PolarHBondContact O-N 2.86Å; N255-D257 VanDerWaalsContact O-N 3.12Å; D257-K259 WeakPolarHBondContact O-CG 3.15Å; D257-K259 PolarHBondContact O-N 3.17Å; D257-K259 VanDerWaalsContact O-N 3.14Å
258S89.9Confident70.7Confident17 Ų1777.8 Ų77.812%0.11940%0.395CS..  trans-61.1120.2176.8-168.70000110.5A206 D207 H209 N255A206-S258 PolarHBondContact O-OG 3.18Å; D207-S258 WeakPolarHBondContact O-CA 3.41Å; H209-S258 PolarHBondContact CD2-OG 3.15Å; H209-S258 VanDerWaalsContact CD2-OG 3.25Å; H209-S258 PolarHBondContact NE2-OG 3.38Å; N255-S258 PolarHBondContact O-N 2.65Å
259K96.1Very high73.9Confident65 Ų6575.1 Ų75.128%0.28339%0.387SS..EExtended strand (participates in β ladder)trans-93149.6-176.3-62.7179.2-174.3173.70110.7L40 D207 L208 H209 D257 T275L40-K259 HydrophobicContact CD2-CD 3.43Å; L40-K259 VanDerWaalsContact CD2-CD 3.43Å; L40-K259 VanDerWaalsContact CD2-NZ 3.33Å; D207-K259 PolarHBondContact O-N 3.49Å; L208-K259 HydrophobicContact CD1-CB 3.87Å; H209-K259 PolarHBondContact N-O 2.94Å; D257-K259 WeakPolarHBondContact O-CG 3.15Å; D257-K259 PolarHBondContact O-N 3.17Å; D257-K259 VanDerWaalsContact O-N 3.14Å; K259-T275 WeakPolarHBondContact CA-OG1 3.37Å; K259-T275 HydrophobicContact CB-CG2 4.44Å; K259-T275 HydrophobicContact CD-CG2 4.38Å; K259-T275 HydrophobicContact CG-CG2 4.36Å
260L97.2Very high77Confident7 Ų765.7 Ų65.74%0.03735%0.346CS..EExtended strand (participates in β ladder)trans-124118178.1172.257.8000110.5H209 P225 L226 I262 A274 T275 L276H209-L260 HydrophobicContact CB-CD1 3.93Å; P225-L260 HydrophobicContact CB-CD1 3.79Å; P225-L260 HydrophobicContact CB-CD2 4.36Å; P225-L260 HydrophobicContact CG-CD1 4.46Å; L226-L260 HydrophobicContact CD2-CD2 4.17Å; L260-I262 HydrophobicContact CD1-CG1 4.05Å; L260-I262 HydrophobicContact CD2-CD1 4.19Å; L260-I262 HydrophobicContact CD2-CG1 4.36Å; L260-I262 HydrophobicContact CG-CD1 4.37Å; L260-I262 HydrophobicContact CG-CG1 4.01Å; L260-A274 HydrophobicContact CG-CB 4.27Å; L260-A274 CarbonylContact O-C 3.46Å; L260-A274 WeakPolarHBondContact O-CA 3.3Å; L260-T275 PolarHBondContact N-OG1 2.84Å; L260-T275 VanDerWaalsContact N-OG1 3.16Å; L260-T275 PolarHBondContact O-N 3.04Å; L260-L276 PolarHBondContact O-N 3.04Å
261V98.6Very high80Confident0 Ų061.1 Ų61.10%032%0.323CS..EExtended strand (participates in β ladder)trans-101135167.6175.90000108.8L37 L40 L208 H209 I210 C211 I263 L276L37-V261 HydrophobicContact CD1-CB 4.37Å; L37-V261 HydrophobicContact CD1-CG1 3.8Å; L37-V261 HydrophobicContact CD1-CG2 3.98Å; L40-V261 HydrophobicContact CD1-CG2 3.74Å; L208-V261 HydrophobicContact CD1-CG2 3.83Å; H209-V261 PolarHBondContact O-N 3.01Å; I210-V261 WeakPolarHBondContact CA-O 3.22Å; I210-V261 HydrophobicContact CG1-CB 4.31Å; I210-V261 HydrophobicContact CG2-CB 4.32Å; I210-V261 HydrophobicContact CG2-CG1 4.2Å; C211-V261 PolarHBondContact N-O 3.31Å; V261-I263 HydrophobicContact CG1-CD1 4.4Å; V261-I263 HydrophobicContact CG1-CG1 4.09Å; V261-L276 CarbonylContact C-O 3.47Å; V261-L276 VanDerWaalsContact CA-O 3.31Å; V261-L276 WeakPolarHBondContact CA-O 3.27Å; V261-L276 HydrophobicContact CG2-CB 4.16Å; V261-L276 HydrophobicContact CG2-CD2 4.39Å
262I98.7Very high83Confident3 Ų360.6 Ų60.62%0.01532%0.318CS..EExtended strand (participates in β ladder)trans-121.6122.5172.4-58.3-179.8000109.1C211 L216 L260 N264 T268 M270 A274 L276 N277 I278C211-I262 HydrophobicContact CB-CG1 4.33Å; L216-I262 HydrophobicContact CD1-CD1 3.84Å; L216-I262 HydrophobicContact CD1-CG1 4.3Å; L260-I262 HydrophobicContact CD1-CG1 4.05Å; L260-I262 HydrophobicContact CD2-CD1 4.19Å; L260-I262 HydrophobicContact CD2-CG1 4.36Å; L260-I262 HydrophobicContact CG-CD1 4.37Å; L260-I262 HydrophobicContact CG-CG1 4.01Å; I262-N264 HydrophobicContact CG2-CB 4.19Å; I262-T268 HydrophobicContact CG2-CG2 3.64Å; I262-M270 HydrophobicContact CD1-CB 3.98Å; I262-A274 HydrophobicContact CB-CB 4.5Å; I262-A274 HydrophobicContact CD1-CB 3.83Å; I262-A274 HydrophobicContact CG1-CB 3.92Å; I262-L276 PolarHBondContact N-O 3.1Å; I262-N277 WeakPolarHBondContact CB-OD1 3.49Å; I262-N277 CarbonylContact O-C 3.59Å; I262-N277 WeakPolarHBondContact O-CA 3.33Å; I262-I278 PolarHBondContact O-N 3.41Å
263I98.8Very high85.8Confident1 Ų161.2 Ų61.21%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-111.6101.4175-59.8161.1000107.4L37 I210 C211 I212 G213 V261 I278 V285L37-I263 HydrophobicContact CD2-CD1 4.12Å; I210-I263 HydrophobicContact CG2-CD1 3.77Å; C211-I263 PolarHBondContact O-N 2.97Å; I212-I263 WeakPolarHBondContact CA-O 3.46Å; I212-I263 HydrophobicContact CD1-CD1 4.47Å; I212-I263 HydrophobicContact CG1-CD1 4.17Å; I212-I263 HydrophobicContact CG2-CB 4.24Å; I212-I263 HydrophobicContact CG2-CG2 4.23Å; G213-I263 PolarHBondContact N-O 3.03Å; V261-I263 HydrophobicContact CG1-CD1 4.4Å; V261-I263 HydrophobicContact CG1-CG1 4.09Å; I263-I278 WeakPolarHBondContact CA-O 3.45Å; I263-I278 HydrophobicContact CG1-CB 4.2Å; I263-I278 HydrophobicContact CG1-CD1 4.3Å; I263-V285 HydrophobicContact CD1-CG1 3.57Å; I263-V285 HydrophobicContact CG1-CG1 4.03Å; I263-V285 HydrophobicContact CG2-CB 4.07Å; I263-V285 HydrophobicContact CG2-CG1 4.1Å; I263-V285 HydrophobicContact CG2-CG2 3.9Å
264N98.7Very high88.4Confident15 Ų1557.2 Ų57.28%0.0828%0.279CS..  trans-156140.3-178.5-155.956.2000112.2G213 S214 I262 Q266 T268 I278 N279G213-N264 WeakPolarHBondContact CA-OD1 3.46Å; S214-N264 PolarHBondContact N-OD1 3.05Å; I262-N264 HydrophobicContact CG2-CB 4.19Å; N264-Q266 VanDerWaalsContact C-N 3.34Å; N264-Q266 PolarHBondContact ND2-N 2.82Å; N264-Q266 PolarHBondContact ND2-O 3.46Å; N264-T268 HydrophobicContact CB-CG2 3.84Å; N264-I278 PolarHBondContact N-O 3.47Å; N264-N279 WeakPolarHBondContact O-CA 3.29Å; N264-N279 PolarHBondContact O-ND2 3.5Å
265L98.3Very high91.1Very high40 Ų4052.6 Ų52.621%0.20927%0.266CS..SBendtrans-71.8-28.1176.5-70.8173.4000112.7E22 V23 L24 P281E22-L265 CarbonylContact C-O 3.57Å; E22-L265 VanDerWaalsContact CA-O 3.29Å; E22-L265 WeakPolarHBondContact CA-O 3.49Å; E22-L265 HydrophobicContact CB-CB 4.26Å; E22-L265 HydrophobicContact CG-CB 3.96Å; V23-L265 PolarHBondContact N-O 3.32Å; L24-L265 HydrophobicContact CD2-CD2 3.49Å; L24-L265 VanDerWaalsContact CD2-CD2 3.49Å; L265-P281 HydrophobicContact CD2-CG 4.37Å
266Q97.9Very high93.5Very high15 Ų1550.7 Ų50.77%0.0726%0.255CS..SBendtrans-104.3154.4177.8-64.2177.3-5300110.7L20 E22 R65 G66 N264L20-Q266 PolarHBondContact O-NE2 3.14Å; E22-Q266 HydrophobicContact CG-CG 4.12Å; R65-Q266 PolarHBondContact O-NE2 3.27Å; G66-Q266 VanDerWaalsContact CA-NE2 3.35Å; N264-Q266 VanDerWaalsContact C-N 3.34Å; N264-Q266 PolarHBondContact ND2-N 2.82Å; N264-Q266 PolarHBondContact ND2-O 3.46Å
267P97.2Very high95.5Very high49 Ų4946.6 Ų46.632%0.31823%0.234SC..  trans-54.2141.6166.9-23.933.6000111.6L20 D271L20-P267 HydrophobicContact CD1-CB 4.36Å; P267-D271 VanDerWaalsContact CA-OD2 3.25Å; P267-D271 WeakPolarHBondContact CA-OD2 3.27Å
268T97.2Very high96.6Very high15 Ų1540.3 Ų40.39%0.09220%0.2CC..  trans-111162.417886.20000111.5S214 S215 I262 N264 M270 D271S214-T268 WeakPolarHBondContact O-CG2 3.48Å; S215-T268 WeakPolarHBondContact O-CB 3.49Å; I262-T268 HydrophobicContact CG2-CG2 3.64Å; N264-T268 HydrophobicContact CB-CG2 3.84Å; T268-M270 PolarHBondContact O-N 3.1Å; T268-M270 VanDerWaalsContact O-N 3.09Å; T268-M270 PolarHBondContact OG1-N 3.41Å; T268-M270 VanDerWaalsContact OG1-N 3.15Å; T268-D271 VanDerWaalsContact CB-OD1 3.24Å; T268-D271 WeakPolarHBondContact CB-OD1 3.26Å; T268-D271 WeakPolarHBondContact CG2-OD1 3.43Å; T268-D271 VanDerWaalsContact N-CG 3.27Å; T268-D271 PolarHBondContact N-OD1 2.74Å; T268-D271 VanDerWaalsContact N-OD1 3.11Å; T268-D271 PolarHBondContact N-OD2 2.79Å; T268-D271 PolarHBondContact OG1-N 2.84Å; T268-D271 PolarHBondContact OG1-OD1 3.22Å
269K94.3Very high97.1Very high121 Ų12140.8 Ų40.853%0.52620%0.202SC..THydrogen-bonded Turntrans-62.7-16.2175.3-166.2171.5179.5-178.70113S215 L216 F219S215-K269 PolarHBondContact O-N 3.34Å; L216-K269 WeakPolarHBondContact O-CB 3.36Å; F219-K269 HydrophobicContact CE2-CD 4.01Å
270M94.1Very high97.2Very high8 Ų837.8 Ų37.84%0.03919%0.189CC..THydrogen-bonded Turntrans-114.74.7-171.1-56.8-55.2-168.500114.5L216 F219 A222 L226 I262 T268 K272 Y273 A274L216-M270 HydrophobicContact CB-CB 4.44Å; L216-M270 HydrophobicContact CB-CG 3.83Å; L216-M270 HydrophobicContact CD1-CB 3.73Å; L216-M270 HydrophobicContact CD1-CG 3.86Å; L216-M270 HydrophobicContact CG-CG 4.47Å; F219-M270 HydrophobicContact CE1-CE 3.96Å; F219-M270 HydrophobicContact CE2-CE 4.05Å; F219-M270 HydrophobicContact CZ-CE 3.29Å; A222-M270 HydrophobicContact CB-CE 4.23Å; A222-M270 WeakPolarHBondContact O-CE 3.3Å; L226-M270 HydrophobicContact CD1-CE 3.97Å; L226-M270 HydrophobicContact CD1-SD 3.75Å; I262-M270 HydrophobicContact CD1-CB 3.98Å; T268-M270 PolarHBondContact O-N 3.1Å; T268-M270 VanDerWaalsContact O-N 3.09Å; T268-M270 PolarHBondContact OG1-N 3.41Å; T268-M270 VanDerWaalsContact OG1-N 3.15Å; M270-K272 PolarHBondContact O-N 2.85Å; M270-K272 VanDerWaalsContact O-N 3.09Å; M270-Y273 HydrophobicContact CB-CD2 4.31Å; M270-Y273 PolarHBondContact O-N 3.04Å; M270-Y273 HydrophobicContact SD-CD2 3.82Å; M270-Y273 HydrophobicContact SD-CE2 3.88Å; M270-A274 PolarHBondContact O-N 3.41Å
271D95.2Very high97.2Very high42 Ų4240.6 Ų40.623%0.22521%0.207CC..G310 helixtrans-52.2-39.1-175.3-67.7-9.9000113.2P267 T268 Y273 A274 N277P267-D271 VanDerWaalsContact CA-OD2 3.25Å; P267-D271 WeakPolarHBondContact CA-OD2 3.27Å; T268-D271 VanDerWaalsContact CB-OD1 3.24Å; T268-D271 WeakPolarHBondContact CB-OD1 3.26Å; T268-D271 WeakPolarHBondContact CG2-OD1 3.43Å; T268-D271 VanDerWaalsContact N-CG 3.27Å; T268-D271 PolarHBondContact N-OD1 2.74Å; T268-D271 VanDerWaalsContact N-OD1 3.11Å; T268-D271 PolarHBondContact N-OD2 2.79Å; T268-D271 PolarHBondContact OG1-N 2.84Å; T268-D271 PolarHBondContact OG1-OD1 3.22Å; D271-Y273 PolarHBondContact O-N 2.82Å; D271-A274 WeakPolarHBondContact O-CB 3.25Å; D271-A274 PolarHBondContact O-N 3.5Å; D271-A274 VanDerWaalsContact O-N 3.12Å; D271-N277 PolarHBondContact O-ND2 3.46Å
272K95.1Very high97.2Very high168 Ų16841.3 Ų41.373%0.7321%0.214SC*.G310 helixtrans-67.7-13.7179.968175.7-178.8171.70114.9M270M270-K272 PolarHBondContact O-N 2.85Å; M270-K272 VanDerWaalsContact O-N 3.09Å
273Y93.9Very high97.2Very high115 Ų11542.8 Ų42.845%0.45122%0.222SC..G310 helixtrans-101.2-8.7176.5-55.2-66.5000112.1L226 M270 D271L226-Y273 HydrophobicContact CD1-CD2 3.89Å; L226-Y273 HydrophobicContact CD1-CE2 4.1Å; L226-Y273 HydrophobicContact CD1-CG 4.35Å; L226-Y273 HydrophobicContact CD2-CD2 4.38Å; L226-Y273 HydrophobicContact CD2-CG 4.14Å; M270-Y273 HydrophobicContact CB-CD2 4.31Å; M270-Y273 PolarHBondContact O-N 3.04Å; M270-Y273 HydrophobicContact SD-CD2 3.82Å; M270-Y273 HydrophobicContact SD-CE2 3.88Å; D271-Y273 PolarHBondContact O-N 2.82Å
274A96.1Very high97.1Very high21 Ų2147.5 Ų47.517%0.17424%0.242CC..  trans-72.5136.5-179.300000111.1L260 I262 M270 D271 L276 N277L260-A274 HydrophobicContact CG-CB 4.27Å; L260-A274 CarbonylContact O-C 3.46Å; L260-A274 WeakPolarHBondContact O-CA 3.3Å; I262-A274 HydrophobicContact CB-CB 4.5Å; I262-A274 HydrophobicContact CD1-CB 3.83Å; I262-A274 HydrophobicContact CG1-CB 3.92Å; M270-A274 PolarHBondContact O-N 3.41Å; D271-A274 WeakPolarHBondContact O-CB 3.25Å; D271-A274 PolarHBondContact O-N 3.5Å; D271-A274 VanDerWaalsContact O-N 3.12Å; A274-L276 VanDerWaalsContact C-N 3.29Å; A274-N277 WeakPolarHBondContact CB-OD1 3.39Å
275T97Very high97.1Very high81 Ų8146.8 Ų46.850%0.49724%0.238SC..SBendtrans-67-35.4163.9-48.10000110.5K259 L260K259-T275 WeakPolarHBondContact CA-OG1 3.37Å; K259-T275 HydrophobicContact CB-CG2 4.44Å; K259-T275 HydrophobicContact CD-CG2 4.38Å; K259-T275 HydrophobicContact CG-CG2 4.36Å; L260-T275 PolarHBondContact N-OG1 2.84Å; L260-T275 VanDerWaalsContact N-OG1 3.16Å; L260-T275 PolarHBondContact O-N 3.04Å
276L98.3Very high97.2Very high19 Ų1945 Ų4510%0.09923%0.229CC..EExtended strand (participates in β ladder)trans-145.9123.6-179.2-177.966.4000110.3K33 E36 L37 L40 L260 V261 I262 A274 I278K33-L276 HydrophobicContact CB-CD1 4.1Å; K33-L276 HydrophobicContact CG-CD1 3.88Å; E36-L276 HydrophobicContact CB-CD2 4.33Å; E36-L276 HydrophobicContact CG-CD2 4.23Å; L37-L276 HydrophobicContact CB-CD2 4.07Å; L40-L276 HydrophobicContact CD1-CB 4.34Å; L40-L276 HydrophobicContact CD1-CD2 4.17Å; L260-L276 PolarHBondContact O-N 3.04Å; V261-L276 CarbonylContact C-O 3.47Å; V261-L276 VanDerWaalsContact CA-O 3.31Å; V261-L276 WeakPolarHBondContact CA-O 3.27Å; V261-L276 HydrophobicContact CG2-CB 4.16Å; V261-L276 HydrophobicContact CG2-CD2 4.39Å; I262-L276 PolarHBondContact N-O 3.1Å; A274-L276 VanDerWaalsContact C-N 3.29Å; L276-I278 HydrophobicContact CD2-CD1 3.95Å; L276-I278 HydrophobicContact CD2-CG1 4.16Å; L276-I278 HydrophobicContact CG-CD1 4.36Å; L276-I278 HydrophobicContact CG-CG1 4.01Å
277N98.4Very high97.1Very high44 Ų4448.9 Ų48.924%0.23525%0.246CC..EExtended strand (participates in β ladder)trans-106.5127.3170.5-69.1-57.5000109.2K33 I262 D271 A274K33-N277 WeakPolarHBondContact CD-O 3.47Å; K33-N277 VanDerWaalsContact CE-O 3.31Å; K33-N277 WeakPolarHBondContact CE-O 3.23Å; K33-N277 PolarHBondContact NZ-O 3.37Å; I262-N277 WeakPolarHBondContact CB-OD1 3.49Å; I262-N277 CarbonylContact O-C 3.59Å; I262-N277 WeakPolarHBondContact O-CA 3.33Å; D271-N277 PolarHBondContact O-ND2 3.46Å; A274-N277 WeakPolarHBondContact CB-OD1 3.39Å
278I98.8Very high97.2Very high0 Ų047.5 Ų47.50%024%0.236CC..EExtended strand (participates in β ladder)trans-118.9118.2177.3-52-175.2000108.5L30 K33 L34 L37 I262 I263 N264 L276 A280 V285L30-I278 HydrophobicContact CD1-CG2 3.69Å; K33-I278 HydrophobicContact CB-CD1 4.41Å; K33-I278 HydrophobicContact CB-CG1 4.18Å; L34-I278 HydrophobicContact CD2-CD1 4.45Å; L37-I278 HydrophobicContact CB-CD1 4.02Å; L37-I278 HydrophobicContact CD2-CD1 3.81Å; L37-I278 HydrophobicContact CG-CD1 4.41Å; I262-I278 PolarHBondContact O-N 3.41Å; I263-I278 WeakPolarHBondContact CA-O 3.45Å; I263-I278 HydrophobicContact CG1-CB 4.2Å; I263-I278 HydrophobicContact CG1-CD1 4.3Å; N264-I278 PolarHBondContact N-O 3.47Å; L276-I278 HydrophobicContact CD2-CD1 3.95Å; L276-I278 HydrophobicContact CD2-CG1 4.16Å; L276-I278 HydrophobicContact CG-CD1 4.36Å; L276-I278 HydrophobicContact CG-CG1 4.01Å; I278-A280 HydrophobicContact CG2-CB 4.19Å; I278-V285 HydrophobicContact CD1-CG1 4.45Å; I278-V285 HydrophobicContact CG2-CG2 3.86Å
279N98.5Very high97.3Very high28 Ų2847 Ų4715%0.1523%0.233CC..  trans-103.379.3-178.8-64110.4000109.1V23 L24 D25 N264V23-N279 HydrophobicContact CB-CB 4.47Å; V23-N279 HydrophobicContact CG1-CB 4.4Å; V23-N279 WeakPolarHBondContact O-CB 3.11Å; L24-N279 WeakPolarHBondContact CA-O 3.16Å; D25-N279 PolarHBondContact N-O 3.05Å; D25-N279 PolarHBondContact OD2-N 2.99Å; N264-N279 WeakPolarHBondContact O-CA 3.29Å; N264-N279 PolarHBondContact O-ND2 3.5Å
280A98.4Very high97.5Very high2 Ų241.2 Ų41.22%0.01721%0.208CC..SBendtrans-153.6162.4-179.700000111.3L30 I278 A282 V285L30-A280 HydrophobicContact CD1-CB 3.76Å; L30-A280 HydrophobicContact CD2-CB 4.03Å; I278-A280 HydrophobicContact CG2-CB 4.19Å; A280-A282 PolarHBondContact O-N 3.37Å; A280-V285 HydrophobicContact CB-CG2 3.66Å
281P98.3Very high97.6Very high65 Ų6546 Ų4642%0.42223%0.23SC..  trans-59133.8175.7-24.334.9000112.1L265 D283 F284 V285L265-P281 HydrophobicContact CD2-CG 4.37Å; P281-D283 VanDerWaalsContact C-N 3.32Å; P281-D283 PolarHBondContact O-N 3.08Å; P281-F284 HydrophobicContact CB-CB 4.35Å; P281-F284 WeakPolarHBondContact O-CB 3.4Å; P281-F284 PolarHBondContact O-N 3.4Å; P281-V285 PolarHBondContact O-N 3.23Å; P281-V285 VanDerWaalsContact O-N 3.11Å
282A98.4Very high97.8Very high16 Ų1646.4 Ų46.413%0.13223%0.23CC..Hα-helixtrans-54.1-45.6-176.700000112.8I55 T94 I212 A280 F284 V285 M286I55-A282 HydrophobicContact CG2-CB 4.25Å; T94-A282 VanDerWaalsContact OG1-C 3.29Å; T94-A282 PolarHBondContact OG1-O 3.09Å; I212-A282 HydrophobicContact CG2-CB 3.63Å; A280-A282 PolarHBondContact O-N 3.37Å; A282-F284 VanDerWaalsContact C-N 3.29Å; A282-F284 PolarHBondContact O-N 3.48Å; A282-V285 PolarHBondContact O-N 3.39Å; A282-M286 WeakPolarHBondContact O-CB 3.49Å; A282-M286 VanDerWaalsContact O-CG 3.26Å; A282-M286 WeakPolarHBondContact O-CG 3.47Å; A282-M286 PolarHBondContact O-N 3.41Å
283D98Very high97.9Very high34 Ų3439.7 Ų39.718%0.18220%0.202CC..Hα-helixtrans-62.3-35.6179.9-74.1-13.4000112.6S58 L93 T94 P281 K287S58-D283 WeakPolarHBondContact CB-OD2 3.32Å; S58-D283 PolarHBondContact OG-OD2 2.84Å; L93-D283 HydrophobicContact CB-CB 4.06Å; L93-D283 WeakPolarHBondContact CD2-O 3.3Å; T94-D283 VanDerWaalsContact CB-OD1 3.32Å; T94-D283 WeakPolarHBondContact CB-OD1 3.35Å; T94-D283 PolarHBondContact N-OD1 3.12Å; T94-D283 WeakPolarHBondContact OG1-CA 3.33Å; T94-D283 PolarHBondContact OG1-N 2.91Å; T94-D283 PolarHBondContact OG1-OD1 3.11Å; P281-D283 VanDerWaalsContact C-N 3.32Å; P281-D283 PolarHBondContact O-N 3.08Å; D283-K287 VanDerWaalsContact O-CB 3.27Å; D283-K287 WeakPolarHBondContact O-CB 3.12Å; D283-K287 PolarHBondContact O-N 2.89Å
284F98Very high98.1Very high99 Ų9941.5 Ų41.543%0.43422%0.219SC..Hα-helixtrans-67.4-50.3176177.4-99.4000111L30 L34 P281 A282 M286 K287 V288L30-F284 HydrophobicContact CD2-CD1 4.21Å; L30-F284 HydrophobicContact CD2-CE1 3.63Å; L30-F284 HydrophobicContact CG-CE1 4.26Å; L34-F284 HydrophobicContact CD1-CE1 3.83Å; P281-F284 HydrophobicContact CB-CB 4.35Å; P281-F284 WeakPolarHBondContact O-CB 3.4Å; P281-F284 PolarHBondContact O-N 3.4Å; A282-F284 VanDerWaalsContact C-N 3.29Å; A282-F284 PolarHBondContact O-N 3.48Å; F284-M286 VanDerWaalsContact C-N 3.33Å; F284-M286 PolarHBondContact O-N 2.89Å; F284-K287 PolarHBondContact O-N 2.79Å; F284-V288 HydrophobicContact CE1-CG2 4.21Å; F284-V288 HydrophobicContact CE2-CG2 4.13Å; F284-V288 HydrophobicContact CZ-CG2 3.95Å; F284-V288 WeakPolarHBondContact O-CG2 3.25Å; F284-V288 PolarHBondContact O-N 2.86Å; F284-V288 VanDerWaalsContact O-N 3.07Å
285V98.7Very high98.2Very high0 Ų041.1 Ų41.10%021%0.214CC..Hα-helixtrans-58.8-45.8-179.9175.30000111.1L34 L37 I263 I278 A280 P281 A282 V288 L289L34-V285 HydrophobicContact CD2-CB 4.15Å; L34-V285 HydrophobicContact CD2-CG1 3.7Å; L34-V285 HydrophobicContact CD2-CG2 4.14Å; L37-V285 HydrophobicContact CD2-CG1 3.72Å; I263-V285 HydrophobicContact CD1-CG1 3.57Å; I263-V285 HydrophobicContact CG1-CG1 4.03Å; I263-V285 HydrophobicContact CG2-CB 4.07Å; I263-V285 HydrophobicContact CG2-CG1 4.1Å; I263-V285 HydrophobicContact CG2-CG2 3.9Å; I278-V285 HydrophobicContact CD1-CG1 4.45Å; I278-V285 HydrophobicContact CG2-CG2 3.86Å; A280-V285 HydrophobicContact CB-CG2 3.66Å; P281-V285 PolarHBondContact O-N 3.23Å; P281-V285 VanDerWaalsContact O-N 3.11Å; A282-V285 PolarHBondContact O-N 3.39Å; V285-V288 PolarHBondContact O-N 2.83Å; V285-L289 WeakPolarHBondContact O-CB 3.35Å; V285-L289 PolarHBondContact O-N 2.87Å
286M98.5Very high98Very high3 Ų344.4 Ų44.42%0.01523%0.228CC..Hα-helixtrans-69.2-35.7-178.6-66.4-54.7-62.700112.7L93 T94 A97 L98 L101 I212 A282 F284 L289 C290L93-M286 HydrophobicContact CD2-CB 4.2Å; T94-M286 HydrophobicContact CG2-CG 3.93Å; A97-M286 HydrophobicContact CB-CB 4.03Å; A97-M286 HydrophobicContact CB-CE 4.11Å; L98-M286 HydrophobicContact CD2-CE 4.09Å; L98-M286 HydrophobicContact CG-CE 4.48Å; L101-M286 HydrophobicContact CD1-CE 3.37Å; I212-M286 HydrophobicContact CD1-CE 4.39Å; I212-M286 HydrophobicContact CD1-CG 4.5Å; I212-M286 HydrophobicContact CD1-SD 3.67Å; A282-M286 WeakPolarHBondContact O-CB 3.49Å; A282-M286 VanDerWaalsContact O-CG 3.26Å; A282-M286 WeakPolarHBondContact O-CG 3.47Å; A282-M286 PolarHBondContact O-N 3.41Å; F284-M286 VanDerWaalsContact C-N 3.33Å; F284-M286 PolarHBondContact O-N 2.89Å; M286-L289 HydrophobicContact CE-CD2 4.26Å; M286-L289 PolarHBondContact O-N 3.02Å; M286-L289 HydrophobicContact SD-CD2 4.3Å; M286-C290 WeakPolarHBondContact O-CB 3.19Å; M286-C290 PolarHBondContact O-N 2.8Å; M286-C290 PolarHBondContact O-SG 2.78Å
287K97.8Very high97.7Very high96 Ų9645.2 Ų45.242%0.41723%0.232SC..Hα-helixtrans-59.5-53.7173-177.2-175.7171.2-169.30110.7L93 D283 F284 L289 C290 E291L93-K287 HydrophobicContact CD1-CB 4.08Å; L93-K287 HydrophobicContact CD1-CD 4.42Å; L93-K287 HydrophobicContact CD1-CG 4.37Å; L93-K287 HydrophobicContact CD2-CB 3.98Å; D283-K287 VanDerWaalsContact O-CB 3.27Å; D283-K287 WeakPolarHBondContact O-CB 3.12Å; D283-K287 PolarHBondContact O-N 2.89Å; F284-K287 PolarHBondContact O-N 2.79Å; K287-L289 VanDerWaalsContact C-N 3.31Å; K287-L289 PolarHBondContact O-N 2.77Å; K287-C290 PolarHBondContact O-N 3.42Å; K287-E291 WeakPolarHBondContact CE-OE1 3.46Å; K287-E291 IonicContact NZ-OE1 3.77Å; K287-E291 WeakPolarHBondContact O-CG 3.47Å; K287-E291 PolarHBondContact O-N 3.07Å
288V98.1Very high96.7Very high20 Ų2046 Ų4612%0.12124%0.239CC..Hα-helixtrans-65.1-37-178.5178.20000111.4L34 F284 V285 E291 K292L34-V288 HydrophobicContact CB-CG1 4.24Å; L34-V288 HydrophobicContact CD1-CB 4.14Å; L34-V288 HydrophobicContact CD1-CG1 3.9Å; L34-V288 HydrophobicContact CD1-CG2 4.32Å; F284-V288 HydrophobicContact CE1-CG2 4.21Å; F284-V288 HydrophobicContact CE2-CG2 4.13Å; F284-V288 HydrophobicContact CZ-CG2 3.95Å; F284-V288 WeakPolarHBondContact O-CG2 3.25Å; F284-V288 PolarHBondContact O-N 2.86Å; F284-V288 VanDerWaalsContact O-N 3.07Å; V285-V288 PolarHBondContact O-N 2.83Å; V288-E291 PolarHBondContact O-N 3.07Å; V288-K292 HydrophobicContact CG1-CD 4.13Å; V288-K292 VanDerWaalsContact CG1-CE 3.47Å; V288-K292 HydrophobicContact CG1-CG 4.27Å; V288-K292 WeakPolarHBondContact O-CB 3.47Å; V288-K292 WeakPolarHBondContact O-CG 3.3Å; V288-K292 PolarHBondContact O-N 3.38Å
289L98.7Very high95.1Very high4 Ų450.2 Ų50.22%0.02127%0.269CS..Hα-helixtrans-59.8-50174.2177.859.5000111.4L37 A38 V41 V285 M286 K287 E291 K292 L293L37-L289 HydrophobicContact CD2-CB 4.46Å; L37-L289 HydrophobicContact CD2-CD1 4.32Å; L37-L289 HydrophobicContact CD2-CD2 4.12Å; L37-L289 HydrophobicContact CG-CD1 4.01Å; L37-L289 HydrophobicContact CG-CD2 4.34Å; A38-L289 HydrophobicContact CB-CD1 4.14Å; V41-L289 HydrophobicContact CB-CD1 4.49Å; V41-L289 HydrophobicContact CG2-CD1 4.19Å; V41-L289 HydrophobicContact CG2-CD2 4.37Å; V285-L289 WeakPolarHBondContact O-CB 3.35Å; V285-L289 PolarHBondContact O-N 2.87Å; M286-L289 HydrophobicContact CE-CD2 4.26Å; M286-L289 PolarHBondContact O-N 3.02Å; M286-L289 HydrophobicContact SD-CD2 4.3Å; K287-L289 VanDerWaalsContact C-N 3.31Å; K287-L289 PolarHBondContact O-N 2.77Å; L289-E291 VanDerWaalsContact C-N 3.34Å; L289-E291 PolarHBondContact O-N 2.92Å; L289-K292 PolarHBondContact O-N 2.8Å; L289-L293 HydrophobicContact CD1-CD1 3.72Å; L289-L293 HydrophobicContact CD1-CG 4.05Å; L289-L293 HydrophobicContact CG-CD1 3.86Å; L289-L293 WeakPolarHBondContact O-CB 3.08Å; L289-L293 VanDerWaalsContact O-CG 3.25Å; L289-L293 WeakPolarHBondContact O-CG 3.43Å; L289-L293 PolarHBondContact O-N 2.91Å
290C98.4Very high93.3Very high0 Ų053.8 Ų53.80%029%0.292CS..Hα-helixtrans-61.9-41178.1-73.70000112M286 K287 L293 D294 I295 L297M286-C290 WeakPolarHBondContact O-CB 3.19Å; M286-C290 PolarHBondContact O-N 2.8Å; M286-C290 PolarHBondContact O-SG 2.78Å; K287-C290 PolarHBondContact O-N 3.42Å; C290-L293 CarbonylContact O-C 3.51Å; C290-L293 PolarHBondContact O-N 3.16Å; C290-D294 PolarHBondContact O-N 3.27Å; C290-D294 VanDerWaalsContact O-N 3.13Å; C290-I295 HydrophobicContact CB-CB 4.34Å; C290-I295 PolarHBondContact O-N 3.03Å; C290-L297 HydrophobicContact CB-CD1 4Å; C290-L297 HydrophobicContact CB-CD2 4.08Å; C290-L297 HydrophobicContact CB-CG 3.88Å
291E98Very high91.1Very high108 Ų10856 Ų5651%0.50531%0.308SS..Hα-helixtrans-59.8-47.9173.8-72.7170.7172.300111.7K287 V288 L289 L293 D294K287-E291 WeakPolarHBondContact CE-OE1 3.46Å; K287-E291 IonicContact NZ-OE1 3.77Å; K287-E291 WeakPolarHBondContact O-CG 3.47Å; K287-E291 PolarHBondContact O-N 3.07Å; V288-E291 PolarHBondContact O-N 3.07Å; L289-E291 VanDerWaalsContact C-N 3.34Å; L289-E291 PolarHBondContact O-N 2.92Å; E291-L293 PolarHBondContact O-N 3.14Å; E291-D294 PolarHBondContact O-N 2.94Å; E291-D294 VanDerWaalsContact O-N 3.11Å
292K98.2Very high88.7Confident51 Ų5157.3 Ų57.322%0.22232%0.324CS..Hα-helixtrans-64.8-25.5177.2-71.5-177.2-167.1-92.50112D31 T35 A38 R42 V288 L289D31-K292 IonicContact OD1-NZ 3.44Å; D31-K292 PolarHBondContact OD1-NZ 3.09Å; D31-K292 VanDerWaalsContact OD1-NZ 3.13Å; T35-K292 PolarHBondContact OG1-NZ 3.43Å; A38-K292 HydrophobicContact CB-CB 3.84Å; A38-K292 HydrophobicContact CB-CD 4.01Å; R42-K292 PolarHBondContact NH2-O 2.71Å; V288-K292 HydrophobicContact CG1-CD 4.13Å; V288-K292 VanDerWaalsContact CG1-CE 3.47Å; V288-K292 HydrophobicContact CG1-CG 4.27Å; V288-K292 WeakPolarHBondContact O-CB 3.47Å; V288-K292 WeakPolarHBondContact O-CG 3.3Å; V288-K292 PolarHBondContact O-N 3.38Å; L289-K292 PolarHBondContact O-N 2.8Å
293L98.3Very high85.9Confident28 Ų2864.5 Ų64.515%0.14736%0.359CS..THydrogen-bonded Turntrans-91.24.5177-64.9173.5000113.6V41 R42 L101 L289 C290 E291 I295V41-L293 HydrophobicContact CG1-CD1 3.68Å; V41-L293 HydrophobicContact CG1-CD2 4.09Å; R42-L293 HydrophobicContact CG-CD2 3.73Å; L101-L293 HydrophobicContact CD2-CD1 3.83Å; L289-L293 HydrophobicContact CD1-CD1 3.72Å; L289-L293 HydrophobicContact CD1-CG 4.05Å; L289-L293 HydrophobicContact CG-CD1 3.86Å; L289-L293 WeakPolarHBondContact O-CB 3.08Å; L289-L293 VanDerWaalsContact O-CG 3.25Å; L289-L293 WeakPolarHBondContact O-CG 3.43Å; L289-L293 PolarHBondContact O-N 2.91Å; C290-L293 CarbonylContact O-C 3.51Å; C290-L293 PolarHBondContact O-N 3.16Å; E291-L293 PolarHBondContact O-N 3.14Å; L293-I295 HydrophobicContact CB-CD1 3.96Å; L293-I295 HydrophobicContact CB-CG1 4.1Å; L293-I295 HydrophobicContact CD1-CD1 4.3Å; L293-I295 PolarHBondContact O-N 2.78Å
294D97.9Very high83.3Confident153 Ų15369.5 Ų69.582%0.81839%0.386SS*.THydrogen-bonded Turntrans56.130.8-174.7-56.6-58.8000113.2C290 E291C290-D294 PolarHBondContact O-N 3.27Å; C290-D294 VanDerWaalsContact O-N 3.13Å; E291-D294 PolarHBondContact O-N 2.94Å; E291-D294 VanDerWaalsContact O-N 3.11Å
295I97.4Very high80.9Confident13 Ų1367.4 Ų67.47%0.06738%0.379CS..PPolyproline II helixtrans-98116.4177.7-67.4172.4000109.3E100 L101 H104 V106 C290 L293 L297E100-I295 HydrophobicContact CB-CG2 3.8Å; L101-I295 HydrophobicContact CD2-CD1 3.66Å; H104-I295 HydrophobicContact CB-CD1 3.97Å; H104-I295 HydrophobicContact CB-CG1 4.45Å; V106-I295 HydrophobicContact CG2-CD1 4.04Å; C290-I295 HydrophobicContact CB-CB 4.34Å; C290-I295 PolarHBondContact O-N 3.03Å; L293-I295 HydrophobicContact CB-CD1 3.96Å; L293-I295 HydrophobicContact CB-CG1 4.1Å; L293-I295 HydrophobicContact CD1-CD1 4.3Å; L293-I295 PolarHBondContact O-N 2.78Å; I295-L297 PolarHBondContact O-N 3.45Å
296L93.9Very high78.4Confident149 Ų14972.3 Ų72.378%0.7841%0.413SS*.PPolyproline II helixtrans-71.2124.3179.4-175.268.1000111.1
297L90.8Very high76Confident36 Ų3676.5 Ų76.519%0.18844%0.435CS..PPolyproline II helixtrans-86.6136.5170.3-67.2178000110.8L93 A97 E100 C290 I295 S299L93-L297 HydrophobicContact CD1-CD1 4.46Å; L93-L297 HydrophobicContact CD2-CD1 3.82Å; L93-L297 HydrophobicContact CG-CD1 4.17Å; A97-L297 VanDerWaalsContact CA-CD2 3.48Å; A97-L297 HydrophobicContact CB-CD2 3.68Å; E100-L297 HydrophobicContact CB-CD2 4.47Å; E100-L297 HydrophobicContact CG-CD2 4.4Å; C290-L297 HydrophobicContact CB-CD1 4Å; C290-L297 HydrophobicContact CB-CD2 4.08Å; C290-L297 HydrophobicContact CB-CG 3.88Å; I295-L297 PolarHBondContact O-N 3.45Å; L297-S299 PolarHBondContact O-N 2.66Å
298P76.9Confident73.8Confident60 Ų6076.4 Ų76.439%0.3943%0.433SS..PPolyproline II helixtrans-60.5135.3175.222.4-30.6000110.5R96 T300R96-P298 HydrophobicContact CB-CG 4.37Å; P298-T300 PolarHBondContact O-N 2.88Å
299S66.3Low71.9Confident90 Ų9077.9 Ų77.963%0.62944%0.444SS*.PPolyproline II helixtrans-62.2130.2-176.964.30000111.2L297 S301L297-S299 PolarHBondContact O-N 2.66Å; S299-S301 PolarHBondContact O-N 3.2Å
300T61.3Low70.4Confident103 Ų10380.3 Ų80.363%0.63246%0.462SS*.  trans-75.654.3170.852.50000110.2P298 A302P298-T300 PolarHBondContact O-N 2.88Å; T300-A302 PolarHBondContact O-N 2.88Å
301S51.7Low69.7Low48 Ų4881.6 Ų81.634%0.33647%0.469SS..  trans-80.7114.8172.7590000108.8S299 L303 N304S299-S301 PolarHBondContact O-N 3.2Å; S301-L303 PolarHBondContact O-N 3.46Å; S301-N304 PolarHBondContact O-N 3.5Å; S301-N304 VanDerWaalsContact O-N 3.16Å
302A47.6Very low69.4Low92 Ų9277.1 Ų77.176%0.7645%0.449SS*.THydrogen-bonded Turntrans-57.2-14-176.900000114.6T300T300-A302 PolarHBondContact O-N 2.88Å
303L40.6Very low69.1Low167 Ų16775.4 Ų75.487%0.87444%0.442SS*.THydrogen-bonded Turntrans-84.7-24.2-179.9-93.2114.4000114.6S301S301-L303 PolarHBondContact O-N 3.46Å
304N42.5Very low68.9Low139 Ų13974.9 Ų74.974%0.74344%0.44SS*.THydrogen-bonded Turntrans-108.2-3.8179.5-87.2-13.7000113.6S301 S306S301-N304 PolarHBondContact O-N 3.5Å; S301-N304 VanDerWaalsContact O-N 3.16Å; N304-S306 PolarHBondContact O-N 3.37Å
305D48.1Very low68.7Low55 Ų5568.6 Ų68.629%0.29441%0.405SS..  trans-68.880.2160.6-95-7.1000107R96 L307R96-D305 IonicContact CZ-OD1 3.48Å; R96-D305 IonicContact CZ-OD2 4Å; R96-D305 IonicContact NH1-OD1 3.82Å; R96-D305 PolarHBondContact NH1-OD1 2.87Å; R96-D305 IonicContact NH1-OD2 2.82Å; R96-D305 VanDerWaalsContact NH2-CG 3.35Å; R96-D305 IonicContact NH2-OD1 2.74Å; R96-D305 PolarHBondContact NH2-OD1 3.25Å; R96-D305 IonicContact NH2-OD2 3.82Å; R96-D305 PolarHBondContact NH2-OD2 3.47Å; D305-L307 PolarHBondContact O-N 2.85Å
306S46.1Very low68.5Low103 Ų10368.1 Ų68.172%0.7240%0.402SS*.  trans-67.951.9161.371.90000109.5N304 Y308N304-S306 PolarHBondContact O-N 3.37Å; S306-Y308 PolarHBondContact O-N 3.41Å
307L47.8Very low68.4Low91 Ų9164.7 Ų64.748%0.47638%0.384SS..SBendtrans40-6.3170.5-102.7139.9000120.6V90 D305V90-L307 HydrophobicContact CG1-CD2 4.07Å; V90-L307 HydrophobicContact CG1-CG 4.37Å; D305-L307 PolarHBondContact O-N 2.85Å
308Y51.5Low68.6Low95 Ų9566.4 Ų66.437%0.37339%0.391SS..  trans-160.8124.9-176.8-66.2-94.8000108.4E87 R121 S306 S310E87-Y308 WeakPolarHBondContact CB-OH 3.36Å; E87-Y308 WeakPolarHBondContact O-CE1 3.48Å; E87-Y308 PolarHBondContact O-OH 2.75Å; R121-Y308 VanDerWaalsContact CZ-CE1 3.5Å; S306-Y308 PolarHBondContact O-N 3.41Å; Y308-S310 VanDerWaalsContact C-N 3.3Å; Y308-S310 PolarHBondContact O-N 3.16Å; Y308-S310 VanDerWaalsContact O-N 3.07Å
309S58.8Low69.2Low51 Ų5164.9 Ų64.936%0.35738%0.381SS..  trans-66.5105.1144.3-177.10000105.4R121 V311R121-S309 VanDerWaalsContact O-CB 3.24Å; R121-S309 WeakPolarHBondContact O-CB 3.24Å; S309-V311 PolarHBondContact O-N 3.5Å; S309-V311 VanDerWaalsContact O-N 3.15Å; S309-V311 WeakPolarHBondContact OG-CB 3.34Å; S309-V311 PolarHBondContact OG-N 3.07Å; S309-V311 PolarHBondContact OG-O 2.76Å; S309-V311 VanDerWaalsContact OG-O 3.07Å
310S65.9Low70.3Confident55 Ų5564.4 Ų64.439%0.38537%0.372SS..  trans-71.27166.255.50000111.5Y308 L340Y308-S310 VanDerWaalsContact C-N 3.3Å; Y308-S310 PolarHBondContact O-N 3.16Å; Y308-S310 VanDerWaalsContact O-N 3.07Å; S310-L340 PolarHBondContact O-N 2.94Å; S310-L340 VanDerWaalsContact O-O 3.07Å
311V84.7Confident71.4Confident27 Ų2765 Ų6516%0.16437%0.37CS..EExtended strand (participates in β ladder)trans-105.2115.9-174.8-169.90000110S309 V313 L340 V342S309-V311 PolarHBondContact O-N 3.5Å; S309-V311 VanDerWaalsContact O-N 3.15Å; S309-V311 WeakPolarHBondContact OG-CB 3.34Å; S309-V311 PolarHBondContact OG-N 3.07Å; S309-V311 PolarHBondContact OG-O 2.76Å; S309-V311 VanDerWaalsContact OG-O 3.07Å; V311-V313 HydrophobicContact CG1-CG2 4.42Å; V311-L340 CarbonylContact C-O 3.58Å; V311-L340 VanDerWaalsContact CA-O 3.29Å; V311-L340 WeakPolarHBondContact CA-O 3.39Å; V311-L340 HydrophobicContact CG1-CD2 4.16Å; V311-L340 HydrophobicContact CG2-CB 4.14Å; V311-L340 HydrophobicContact CG2-CD2 3.81Å; V311-V342 HydrophobicContact CG1-CB 4.19Å; V311-V342 HydrophobicContact CG1-CG1 3.78Å; V311-V342 HydrophobicContact CG1-CG2 3.38Å
312I90.8Very high73.1Confident14 Ų1471.9 Ų71.97%0.07239%0.394CS..EExtended strand (participates in β ladder)trans-90.5120.7163.2-66.9175.5000107.8A149 L314 I329 L340 I341 V342A149-I312 HydrophobicContact CB-CD1 3.26Å; I312-L314 HydrophobicContact CG2-CD2 4.4Å; I312-I329 HydrophobicContact CG2-CD1 4.38Å; I312-L340 PolarHBondContact N-O 3.1Å; I312-I341 HydrophobicContact CB-CG1 4.39Å; I312-I341 WeakPolarHBondContact O-CA 3.47Å; I312-V342 PolarHBondContact O-N 2.96Å
313V92.9Very high74.9Confident14 Ų1473.1 Ų73.19%0.08538%0.384CS..EExtended strand (participates in β ladder)trans-87.4113.7174.1-177.70000108.1P125 R126 V311 R315 V342P125-V313 WeakPolarHBondContact CA-O 3.39Å; P125-V313 HydrophobicContact CB-CG1 4.07Å; R126-V313 PolarHBondContact N-O 3.05Å; V311-V313 HydrophobicContact CG1-CG2 4.42Å; V313-R315 WeakPolarHBondContact CG1-O 3.47Å; V313-V342 HydrophobicContact CB-CG2 4.42Å; V313-V342 HydrophobicContact CG2-CG2 4Å
314L93.4Very high76.9Confident17 Ų1770.9 Ų70.99%0.08938%0.38CS..  trans-77-39.2-179.8-73178.6000112.7R126 D127 I312 I329 I341 V342 Q343R126-L314 HydrophobicContact CB-CD2 4.49Å; D127-L314 WeakPolarHBondContact CB-O 3.4Å; D127-L314 PolarHBondContact N-O 3.47Å; I312-L314 HydrophobicContact CG2-CD2 4.4Å; L314-I329 HydrophobicContact CD2-CB 3.95Å; L314-I329 HydrophobicContact CD2-CD1 3.82Å; L314-I329 HydrophobicContact CD2-CG1 3.72Å; L314-I341 HydrophobicContact CD1-CG2 3.49Å; L314-I341 VanDerWaalsContact CD1-CG2 3.49Å; L314-I341 HydrophobicContact CD2-CG2 3.95Å; L314-I341 HydrophobicContact CG-CG2 3.49Å; L314-I341 VanDerWaalsContact CG-CG2 3.49Å; L314-V342 WeakPolarHBondContact CB-O 3.07Å; L314-V342 PolarHBondContact N-O 2.85Å; L314-Q343 HydrophobicContact CD1-CG 4.42Å
315R93.1Very high79Confident22 Ų2265.9 Ų65.98%0.08336%0.355CS..SBendtrans-125.4142.7179-53.7-178.4174.2-107.516.8113.4D127 V313 E323 Q343 T344D127-R315 VanDerWaalsContact CG-CA 3.48Å; D127-R315 WeakPolarHBondContact OD1-CA 3.25Å; D127-R315 VanDerWaalsContact OD2-CA 3.27Å; D127-R315 WeakPolarHBondContact OD2-CA 3.35Å; D127-R315 VanDerWaalsContact OD2-CB 3.3Å; D127-R315 WeakPolarHBondContact OD2-CB 3.41Å; V313-R315 WeakPolarHBondContact CG1-O 3.47Å; R315-E323 VanDerWaalsContact CZ-O 3.31Å; R315-E323 PolarHBondContact NH1-O 3.27Å; R315-E323 PolarHBondContact NH2-O 3.19Å; R315-Q343 CarbonylContact C-O 3.58Å; R315-Q343 WeakPolarHBondContact CA-O 3.41Å; R315-Q343 WeakPolarHBondContact CB-O 3.48Å; R315-Q343 PolarHBondContact N-O 2.91Å; R315-T344 HydrophobicContact CB-CG2 4.43Å
316S93.6Very high80.8Confident2 Ų266.8 Ų66.81%0.01436%0.364CS..  trans-59.9153.2166.2170.60000111.6E102 P125 D127 R128 H318 S319E102-S316 WeakPolarHBondContact OE1-CB 3.17Å; E102-S316 PolarHBondContact OE1-OG 2.89Å; P125-S316 VanDerWaalsContact CB-N 3.33Å; D127-S316 PolarHBondContact OD1-N 2.93Å; D127-S316 PolarHBondContact OD2-N 3.45Å; R128-S316 WeakPolarHBondContact CD-OG 3.45Å; S316-H318 PolarHBondContact O-N 3.08Å; S316-H318 WeakPolarHBondContact OG-CB 3.43Å; S316-H318 PolarHBondContact OG-CD2 3Å; S316-H318 PolarHBondContact OG-N 3.17Å; S316-S319 WeakPolarHBondContact CB-OG 3.37Å; S316-S319 WeakPolarHBondContact O-CB 3.5Å; S316-S319 PolarHBondContact O-N 3.18Å
317I92.7Very high83Confident77 Ų7762.9 Ų62.940%0.39533%0.334SS..THydrogen-bonded Turntrans-63.7-20.3169.461.2175.5000112.6K103 S345K103-I317 HydrophobicContact CB-CD1 4.4Å; I317-S345 WeakPolarHBondContact CG2-OG 3.24Å
318H93.7Very high85.1Confident73 Ų7363.5 Ų63.534%0.33833%0.33SS..THydrogen-bonded Turntrans-92.2-4.2179.5-53.1-60.3000112.8E102 K103 D105 R128 S316E102-H318 PolarHBondContact O-CD2 3.2Å; E102-H318 VanDerWaalsContact O-CD2 3.29Å; E102-H318 PolarHBondContact O-NE2 2.83Å; E102-H318 IonicContact OE1-CD2 3.53Å; K103-H318 PolarHBondContact O-CE1 3.45Å; K103-H318 PolarHBondContact O-NE2 3.41Å; D105-H318 PolarHBondContact N-NE2 3.21Å; D105-H318 IonicContact OD1-CD2 3.34Å; D105-H318 IonicContact OD1-CG 3.71Å; R128-H318 PolarHBondContact NH1-CD2 2.87Å; S316-H318 PolarHBondContact O-N 3.08Å; S316-H318 WeakPolarHBondContact OG-CB 3.43Å; S316-H318 PolarHBondContact OG-CD2 3Å; S316-H318 PolarHBondContact OG-N 3.17Å
319S90.8Very high87.2Confident27 Ų2759.4 Ų59.419%0.18931%0.314CS..SBendtrans-74.9136.5-177.4-67.90000112D127 S316 L321D127-S319 VanDerWaalsContact OD2-CB 3.32Å; D127-S319 WeakPolarHBondContact OD2-CB 3.29Å; D127-S319 PolarHBondContact OD2-OG 2.86Å; S316-S319 WeakPolarHBondContact CB-OG 3.37Å; S316-S319 WeakPolarHBondContact O-CB 3.5Å; S316-S319 PolarHBondContact O-N 3.18Å; S319-L321 PolarHBondContact O-N 3.2Å; S319-L321 VanDerWaalsContact O-N 3.16Å
320N89.1Confident88.9Confident80 Ų8059.4 Ų59.443%0.42831%0.31SS..  trans-70.3111.1172.7-175.7-8000110.2K322 E323N320-K322 PolarHBondContact O-N 3.41Å; N320-K322 VanDerWaalsContact O-N 3.08Å; N320-K322 WeakPolarHBondContact OD1-CB 3.47Å; N320-K322 PolarHBondContact OD1-N 3.14Å; N320-E323 HydrophobicContact CB-CG 4.06Å; N320-E323 WeakPolarHBondContact O-CB 3.39Å; N320-E323 PolarHBondContact O-N 3.42Å
321L84.9Confident90.2Very high115 Ų11559.4 Ų59.460%0.60231%0.309SS*.THydrogen-bonded Turntrans-63-17-178-64.7178000113.9S319 T344S319-L321 PolarHBondContact O-N 3.2Å; S319-L321 VanDerWaalsContact O-N 3.16Å; L321-T344 HydrophobicContact CD2-CG2 4.19Å
322K86.9Confident90.7Very high193 Ų19358.4 Ų58.484%0.83930%0.302SS*.THydrogen-bonded Turntrans-76.6-23.1174.1-62.6-179179.1177.40112.8N320N320-K322 PolarHBondContact O-N 3.41Å; N320-K322 VanDerWaalsContact O-N 3.08Å; N320-K322 WeakPolarHBondContact OD1-CB 3.47Å; N320-K322 PolarHBondContact OD1-N 3.14Å
323E85.3Confident90.8Very high118 Ų11860.7 Ų60.755%0.55132%0.318SS*.SBendtrans-78.7137.4179-69.6177.4-17100110.5R315 N320 C325R315-E323 VanDerWaalsContact CZ-O 3.31Å; R315-E323 PolarHBondContact NH1-O 3.27Å; R315-E323 PolarHBondContact NH2-O 3.19Å; N320-E323 HydrophobicContact CB-CG 4.06Å; N320-E323 WeakPolarHBondContact O-CB 3.39Å; N320-E323 PolarHBondContact O-N 3.42Å; E323-C325 PolarHBondContact O-N 3.41Å
324P83.3Confident90.8Very high120 Ų12063.3 Ų63.378%0.77933%0.334SS*.PPolyproline II helixtrans-63.2133.4-179.125.6-32.9000111.1P326P324-P326 WeakPolarHBondContact O-CD 3.48Å
325C85.3Confident90.7Very high34 Ų3463.9 Ų63.923%0.2334%0.337CS..PPolyproline II helixtrans-75.4120170-173.20000107.6E323 W327E323-C325 PolarHBondContact O-N 3.41Å; C325-W327 PolarHBondContact O-N 3.19Å
326P86.9Confident90.4Very high74 Ų7471.9 Ų71.948%0.48137%0.373SS..  trans-71.3-17.7179.631.3-35.6000111.4L194 P324L194-P326 HydrophobicContact CD1-CB 4.44Å; L194-P326 HydrophobicContact CD2-CB 3.97Å; P324-P326 WeakPolarHBondContact O-CD 3.48Å
327W91.8Very high89.7Confident21 Ų2178.7 Ų78.78%0.0840%0.404CS..  trans-91.9132-174.8-52.4112.9000112.4R126 L147 L194 D195 L198 C325 I329R126-W327 HydrophobicContact CG-CB 4.1Å; R126-W327 HydrophobicContact CG-CD2 4.1Å; R126-W327 HydrophobicContact CG-CG 3.65Å; R126-W327 VanDerWaalsContact CZ-CE2 3.42Å; R126-W327 VanDerWaalsContact NH1-CE2 3.29Å; R126-W327 PolarHBondContact O-NE1 2.85Å; L147-W327 HydrophobicContact CD1-CE3 3.89Å; L147-W327 HydrophobicContact CD1-CZ3 4.32Å; L194-W327 HydrophobicContact CB-CH2 4.07Å; L194-W327 HydrophobicContact CB-CZ3 4.46Å; L194-W327 HydrophobicContact CD2-CD2 4.33Å; L194-W327 HydrophobicContact CD2-CE3 3.86Å; L194-W327 HydrophobicContact CD2-CH2 3.33Å; L194-W327 HydrophobicContact CD2-CZ2 3.87Å; L194-W327 HydrophobicContact CD2-CZ3 3.34Å; L194-W327 HydrophobicContact CG-CH2 3.46Å; L194-W327 VanDerWaalsContact CG-CH2 3.46Å; L194-W327 HydrophobicContact CG-CZ2 3.95Å; L194-W327 HydrophobicContact CG-CZ3 3.98Å; D195-W327 WeakPolarHBondContact OD2-CH2 3.47Å; L198-W327 HydrophobicContact CD1-CH2 4.33Å; L198-W327 HydrophobicContact CD1-CZ2 3.53Å; C325-W327 PolarHBondContact O-N 3.19Å; W327-I329 HydrophobicContact CB-CG1 4.48Å
328R92.6Very high88.9Confident105 Ų10581 Ų8140%0.39642%0.422SS..  trans-120102.3166.9-166.7-175.7-491545.4108.9T146 L147 Y168T146-R328 HydrophobicContact CG2-CB 4.39Å; T146-R328 HydrophobicContact CG2-CG 3.97Å; T146-R328 WeakPolarHBondContact OG1-CD 3.2Å; T146-R328 PolarHBondContact OG1-NH1 3.36Å; L147-R328 PolarHBondContact N-O 2.99Å; Y168-R328 PolarHBondContact OH-NH1 2.87Å
329I95.1Very high88.4Confident8 Ų878.8 Ų78.84%0.04141%0.412CS..EExtended strand (participates in β ladder)trans-113131177.8-45.6-167.8000109.1R126 L138 L147 A149 I312 L314 W327 I341R126-I329 HydrophobicContact CB-CD1 4.49Å; R126-I329 HydrophobicContact CG-CD1 3.81Å; L138-I329 HydrophobicContact CD2-CG2 4.46Å; L147-I329 HydrophobicContact CB-CB 4.43Å; L147-I329 HydrophobicContact CB-CG1 4.02Å; L147-I329 HydrophobicContact CB-CG2 4.37Å; L147-I329 HydrophobicContact CD1-CD1 4.28Å; L147-I329 HydrophobicContact CD1-CG1 4.13Å; L147-I329 CarbonylContact O-C 3.49Å; L147-I329 WeakPolarHBondContact O-CA 3.47Å; A149-I329 HydrophobicContact CB-CG2 3.9Å; I312-I329 HydrophobicContact CG2-CD1 4.38Å; L314-I329 HydrophobicContact CD2-CB 3.95Å; L314-I329 HydrophobicContact CD2-CD1 3.82Å; L314-I329 HydrophobicContact CD2-CG1 3.72Å; W327-I329 HydrophobicContact CB-CG1 4.48Å; I329-I341 HydrophobicContact CB-CD1 4.24Å; I329-I341 HydrophobicContact CG2-CD1 3.88Å; I329-I341 WeakPolarHBondContact O-CD1 3.46Å
330L94.1Very high88.2Confident51 Ų5181.1 Ų81.127%0.26742%0.422SS..EExtended strand (participates in β ladder)trans-122157.5174-63.5177.2000110.2T146 L147 Y148 A149 Y168 H332 I341T146-L330 HydrophobicContact CG2-CD1 3.87Å; T146-L330 HydrophobicContact CG2-CG 4.06Å; L147-L330 PolarHBondContact O-N 3.06Å; Y148-L330 CarbonylContact C-O 3.54Å; Y148-L330 VanDerWaalsContact CA-O 3.25Å; Y148-L330 WeakPolarHBondContact CA-O 3.31Å; Y148-L330 HydrophobicContact CD1-CB 3.93Å; Y148-L330 HydrophobicContact CE1-CB 3.74Å; Y148-L330 HydrophobicContact CE1-CD1 4.02Å; Y148-L330 HydrophobicContact CE1-CG 4.49Å; A149-L330 PolarHBondContact N-O 2.81Å; Y168-L330 HydrophobicContact CD2-CD1 4.31Å; L330-H332 PolarHBondContact O-N 2.91Å; L330-I341 VanDerWaalsContact C-CD1 3.48Å
331P94.2Very high88.2Confident56 Ų5679.4 Ų79.436%0.36441%0.413SS..EExtended strand (participates in β ladder)trans-61.7136.1168.1-21.234.5000110.3Y148 I341Y148-P331 WeakPolarHBondContact CD1-O 3.3Å; P331-I341 HydrophobicContact CG-CD1 4.16Å
332H94.9Very high88.3Confident5 Ų574.8 Ų74.82%0.02339%0.389CS..  trans-62.7135.8177.9-170.2-82.3000110.8D139 A149 R150 L330 T334 N335D139-H332 IonicContact OD2-CD2 2.88Å; D139-H332 IonicContact OD2-NE2 3.89Å; D139-H332 PolarHBondContact OD2-NE2 3.15Å; D139-H332 VanDerWaalsContact OD2-NE2 3.16Å; A149-H332 WeakPolarHBondContact O-CB 3.48Å; A149-H332 PolarHBondContact O-N 3.15Å; R150-H332 HydrophobicContact CG-CB 4.07Å; R150-H332 PolarHBondContact NH1-CE1 3.39Å; R150-H332 PolarHBondContact NH1-ND1 2.79Å; L330-H332 PolarHBondContact O-N 2.91Å; H332-T334 VanDerWaalsContact CE1-CG2 3.47Å; H332-T334 WeakPolarHBondContact CE1-CG2 3.35Å; H332-T334 PolarHBondContact CE1-OG1 2.96Å; H332-T334 PolarHBondContact ND1-N 3.35Å; H332-T334 VanDerWaalsContact ND1-N 3.19Å; H332-T334 PolarHBondContact ND1-OG1 3.33Å; H332-T334 PolarHBondContact O-N 3.07Å; H332-N335 PolarHBondContact N-ND2 3.14Å; H332-N335 WeakPolarHBondContact O-CB 3.29Å; H332-N335 PolarHBondContact O-N 3.21Å
333P92.8Very high87.7Confident62 Ų6270.7 Ų70.740%0.40337%0.373SS..THydrogen-bonded Turntrans-60.2-17.3-174.2-25.234.2000115.4Y148 V164 T167Y148-P333 HydrophobicContact CD1-CG 4.49Å; Y148-P333 HydrophobicContact CE1-CG 4.32Å; V164-P333 HydrophobicContact CG1-CB 4.34Å; V164-P333 HydrophobicContact CG1-CG 4.12Å; T167-P333 HydrophobicContact CG2-CB 4.13Å; T167-P333 HydrophobicContact CG2-CG 3.63Å
334T92.4Very high86.9Confident70 Ų7066 Ų6643%0.42935%0.352SS..THydrogen-bonded Turntrans-99.75.5-178.675.60000113.6R150 V164 H332R150-T334 PolarHBondContact NH1-OG1 2.65Å; R150-T334 PolarHBondContact NH2-OG1 2.72Å; V164-T334 HydrophobicContact CG1-CG2 4.32Å; V164-T334 HydrophobicContact CG2-CG2 3.89Å; H332-T334 VanDerWaalsContact CE1-CG2 3.47Å; H332-T334 WeakPolarHBondContact CE1-CG2 3.35Å; H332-T334 PolarHBondContact CE1-OG1 2.96Å; H332-T334 PolarHBondContact ND1-N 3.35Å; H332-T334 VanDerWaalsContact ND1-N 3.19Å; H332-T334 PolarHBondContact ND1-OG1 3.33Å; H332-T334 PolarHBondContact O-N 3.07Å
335N91.8Very high85.5Confident29 Ų2961.9 Ų61.916%0.15533%0.326CS..  trans-67.6135.7179.2-71.2-11.8000109.9A149 R150 S151 H332 H337 L339A149-N335 PolarHBondContact O-ND2 2.8Å; R150-N335 WeakPolarHBondContact CA-OD1 3.47Å; S151-N335 PolarHBondContact N-OD1 3.12Å; S151-N335 PolarHBondContact OG-OD1 3.19Å; H332-N335 PolarHBondContact N-ND2 3.14Å; H332-N335 WeakPolarHBondContact O-CB 3.29Å; H332-N335 PolarHBondContact O-N 3.21Å; N335-H337 WeakPolarHBondContact CB-O 3.45Å; N335-L339 WeakPolarHBondContact ND2-CD1 3.42Å
336K85.7Confident83.6Confident189 Ų18963.5 Ų63.582%0.82234%0.338SS*.SBendtrans-79-24.2175.8-67-175.7178.4-178.70112.9
337H80.2Confident81.4Confident146 Ų14665 Ų6568%0.67634%0.339SS*.SBendtrans-127.5149.9179.4-55.6-65.8000109.5N335 L339N335-H337 WeakPolarHBondContact CB-O 3.45Å; H337-L339 PolarHBondContact O-N 2.87Å
338T74.7Confident78.8Confident124 Ų12466.9 Ų66.976%0.76136%0.355SS*.PPolyproline II helixtrans-67.5120.7178.4-50.90000109.8
339L84.4Confident75.9Confident27 Ų2768.9 Ų68.914%0.14137%0.37CS..PPolyproline II helixtrans-85.3128.3161.7-78173.3000108.1A149 N335 H337A149-L339 HydrophobicContact CB-CD1 4.03Å; A149-L339 WeakPolarHBondContact O-CD1 3.26Å; N335-L339 WeakPolarHBondContact ND2-CD1 3.42Å; H337-L339 PolarHBondContact O-N 2.87Å
340L86.7Confident72.8Confident77 Ų7776.5 Ų76.540%0.40341%0.406SS..EExtended strand (participates in β ladder)trans-81.7134174.8-162.278.6000108.6S310 V311 I312 V342S310-L340 PolarHBondContact O-N 2.94Å; S310-L340 VanDerWaalsContact O-O 3.07Å; V311-L340 CarbonylContact C-O 3.58Å; V311-L340 VanDerWaalsContact CA-O 3.29Å; V311-L340 WeakPolarHBondContact CA-O 3.39Å; V311-L340 HydrophobicContact CG1-CD2 4.16Å; V311-L340 HydrophobicContact CG2-CB 4.14Å; V311-L340 HydrophobicContact CG2-CD2 3.81Å; I312-L340 PolarHBondContact N-O 3.1Å; L340-V342 HydrophobicContact CD2-CG1 3.47Å; L340-V342 VanDerWaalsContact CD2-CG1 3.47Å; L340-V342 HydrophobicContact CG-CG1 3.8Å
341I87.9Confident69.6Low43 Ų4381.1 Ų81.122%0.22143%0.43CS..EExtended strand (participates in β ladder)trans-123.2115.2173.2-56.7-178.1000105.9I312 L314 I329 L330 P331I312-I341 HydrophobicContact CB-CG1 4.39Å; I312-I341 WeakPolarHBondContact O-CA 3.47Å; L314-I341 HydrophobicContact CD1-CG2 3.49Å; L314-I341 VanDerWaalsContact CD1-CG2 3.49Å; L314-I341 HydrophobicContact CD2-CG2 3.95Å; L314-I341 HydrophobicContact CG-CG2 3.49Å; L314-I341 VanDerWaalsContact CG-CG2 3.49Å; I329-I341 HydrophobicContact CB-CD1 4.24Å; I329-I341 HydrophobicContact CG2-CD1 3.88Å; I329-I341 WeakPolarHBondContact O-CD1 3.46Å; L330-I341 VanDerWaalsContact C-CD1 3.48Å; P331-I341 HydrophobicContact CG-CD1 4.16Å
342V87.8Confident66.4Low18 Ų1887.4 Ų87.411%0.10945%0.451CS..EExtended strand (participates in β ladder)trans-113.8150.4-175.6-59.50000110.1V311 I312 V313 L314 L340V311-V342 HydrophobicContact CG1-CB 4.19Å; V311-V342 HydrophobicContact CG1-CG1 3.78Å; V311-V342 HydrophobicContact CG1-CG2 3.38Å; I312-V342 PolarHBondContact O-N 2.96Å; V313-V342 HydrophobicContact CB-CG2 4.42Å; V313-V342 HydrophobicContact CG2-CG2 4Å; L314-V342 WeakPolarHBondContact CB-O 3.07Å; L314-V342 PolarHBondContact N-O 2.85Å; L340-V342 HydrophobicContact CD2-CG1 3.47Å; L340-V342 VanDerWaalsContact CD2-CG1 3.47Å; L340-V342 HydrophobicContact CG-CG1 3.8Å
343Q74.9Confident63.2Low108 Ų10893 Ų9351%0.50549%0.486SS..SBendtrans-82.6-40.9176.8-78.1-170-16.900112.7L314 R315L314-Q343 HydrophobicContact CD1-CG 4.42Å; R315-Q343 CarbonylContact C-O 3.58Å; R315-Q343 WeakPolarHBondContact CA-O 3.41Å; R315-Q343 WeakPolarHBondContact CB-O 3.48Å; R315-Q343 PolarHBondContact N-O 2.91Å
344T68.1Low60.1Low18 Ų18100.1 Ų100.111%0.1151%0.511CS..  trans-139.2146.9175.858.60000110.2R315 L321 S346 Q347R315-T344 HydrophobicContact CB-CG2 4.43Å; L321-T344 HydrophobicContact CD2-CG2 4.19Å; T344-S346 PolarHBondContact O-N 3.49Å; T344-S346 PolarHBondContact OG1-OG 3.23Å; T344-Q347 PolarHBondContact O-N 2.94Å
345S53.9Low57Low34 Ų34105.7 Ų105.724%0.23853%0.529CS..THydrogen-bonded Turntrans-64.6-21.6-177.960.30000113.6I317 Q347 C348I317-S345 WeakPolarHBondContact CG2-OG 3.24Å; S345-Q347 VanDerWaalsContact C-N 3.33Å; S345-Q347 PolarHBondContact O-N 3.17Å; S345-C348 PolarHBondContact O-N 3.38Å
346S45Very low54Low69 Ų69111 Ų11148%0.48356%0.557SS.*Hα-helixtrans-64-33.4179.951.50000113.3T344 C348 M349T344-S346 PolarHBondContact O-N 3.49Å; T344-S346 PolarHBondContact OG1-OG 3.23Å; S346-C348 PolarHBondContact O-N 3.37Å; S346-C348 VanDerWaalsContact O-N 3.14Å; S346-M349 PolarHBondContact O-N 2.96Å
347Q40.8Very low51.2Low105 Ų105110.3 Ų110.349%0.49156%0.563SS.*Hα-helixtrans-65.4-17.8177.4-77.2-175.9-12.700113.4T344 S345T344-Q347 PolarHBondContact O-N 2.94Å; S345-Q347 VanDerWaalsContact C-N 3.33Å; S345-Q347 PolarHBondContact O-N 3.17Å
348C37.7Very low48.6Very low61 Ų61106.4 Ų106.441%0.41256%0.562SS.*Hα-helixtrans-92.1-15.7178.8-138.60000113.4S345 S346S345-C348 PolarHBondContact O-N 3.38Å; S346-C348 PolarHBondContact O-N 3.37Å; S346-C348 VanDerWaalsContact O-N 3.14Å
349M31Very low46.4Very low146 Ų146107.1 Ų107.172%0.71957%0.566SS**Hα-helixtrans-78.3-23.5177.6-69.7-151-154.900113.1S346 L351S346-M349 PolarHBondContact O-N 2.96Å; M349-L351 VanDerWaalsContact C-N 3.28Å; M349-L351 PolarHBondContact O-N 3.03Å
350E29.5Very low43.4Very low169 Ų169110.6 Ų110.679%0.7959%0.593SS**THydrogen-bonded Turntrans-78.5-5.8178.1-74.6-176.5163.400114.3
351L28.1Very low40.5Very low147 Ų147112.9 Ų112.977%0.7761%0.614SS**THydrogen-bonded Turntrans-98.912.8-177.8-81.6155.9000114.7M349M349-L351 VanDerWaalsContact C-N 3.28Å; M349-L351 PolarHBondContact O-N 3.03Å
352K26.7Very low37.3Very low189 Ų189119 Ų11982%0.82265%0.646SS**SBendtrans-132.547.2176-76.9-171.8177.3178.70113.8
353T27.8Very low34.3Very low123 Ų123127.4 Ų127.476%0.75568%0.684SS**  trans-151.153.4162.941.30000111.5
354K26.1Very low31.8Very low211 Ų211127.6 Ų127.692%0.91770%0.697SS**  trans-140.385154.5-83-168177.4177.30108.7
355K28.8Very low29.8Very low187 Ų187135.9 Ų135.981%0.81374%0.735SS**  trans-120.2116157.5-111.9-174.1175.5-173.40106.8
356D28.1Very low28.3Very low139 Ų139141.9 Ų141.974%0.74376%0.764SS**  trans60.987.7151.1-50.9-27.1000117.1
357D27.6Very low27.5Very low175 Ų175145.2 Ų145.294%0.93678%0.781SS**  trans-136.1133.7135.1-92.8-33.2000108.8
358G25.7Very low26.8Very low64 Ų64145.2 Ų145.266%0.6679%0.791SS**  trans-76.1175-163.400000116
359T26.9Very low26.2Very low139 Ų139150.6 Ų150.685%0.85382%0.815SS**  trans86.5114.7159-7.80000118.2
360S23.2Very low25.9Very low100 Ų100147.2 Ų147.270%0.69982%0.818SS**  trans11.3128.6153.765.60000120.6
361C24.1Very low25.7Very low125 Ų125145.2 Ų145.285%0.84582%0.822SS**  174.3140.195.8-105.70000111.7
362L21.7Very low25.6Very low171 Ų171143.3 Ų143.390%0.89582%0.82SS**  trans-63125.8166-74.2147.9000109.7
363Q24.5Very low25.5Very low196 Ų196138.9 Ų138.992%0.91681%0.813SS**  trans-163.7127.7141.8-107.2166.925.300110.7
364S22.7Very low25.5Very low111 Ų111137.7 Ų137.778%0.77682%0.816SS**  trans-83.8126.6174.150.90000110
365E25.9Very low25.5Very low193 Ų193134 Ų13490%0.90281%0.805SS**  trans-130.3132.8155.8-76-164.4158.200110.7
366N23.3Very low25.4Very low160 Ų160129.7 Ų129.786%0.85680%0.798SS**  trans-72.6127-177.1-73.3-53.1000111.5
367V27.7Very low25.3Very low139 Ų139131.9 Ų131.984%0.84280%0.801SS**  trans-141.9124.7144-175.90000108.6
368P24.9Very low25.2Very low105 Ų105132 Ų13268%0.68280%0.796SS**  trans-91123.5178.533.6-26.8000109.8
369N25.3Very low25.2Very low174 Ų174137.3 Ų137.393%0.9381%0.809SS**  trans179.3128.8142.9-91.4-26.6000111.5
370G25.1Very low25.3Very low75 Ų75135.7 Ų135.777%0.77380%0.803SS**  trans104.563.7166.800000115.2C372G370-C372 PolarHBondContact O-N 3.28Å
371S26.4Very low25.6Very low126 Ų126139.4 Ų139.488%0.88181%0.807SS**  trans-67.494.3168.657.90000110.5
372C24.8Very low25.7Very low107 Ų107141.5 Ų141.572%0.72381%0.808SS**  trans-86.8100.6163.6-130.40000107.6G370 A374G370-C372 PolarHBondContact O-N 3.28Å; C372-A374 PolarHBondContact O-N 2.93Å
373S25.5Very low26.1Very low97 Ų97141 Ų14168%0.67880%0.801SS**  trans-78.4104.3177.558.60000110.2I375S373-I375 PolarHBondContact O-N 3.26Å; S373-I375 VanDerWaalsContact O-N 3.17Å
374A26.6Very low26.4Very low98 Ų98136.4 Ų136.481%0.8179%0.791SS**  trans-66106.3154.800000107.6C372 S376C372-A374 PolarHBondContact O-N 2.93Å; A374-S376 PolarHBondContact O-N 3.15Å
375I25.8Very low26.7Very low133 Ų133137.1 Ų137.168%0.68279%0.791SS**  trans-76.384.3171.5-58.3177.1000107.1S373 F377S373-I375 PolarHBondContact O-N 3.26Å; S373-I375 VanDerWaalsContact O-N 3.17Å; I375-F377 HydrophobicContact CG2-CD2 3.55Å; I375-F377 HydrophobicContact CG2-CE2 3.51Å
376S27.1Very low27.1Very low97 Ų97141.5 Ų141.568%0.67881%0.807SS**  trans-82.9107.3161.3-1780000107.8A374 Q378A374-S376 PolarHBondContact O-N 3.15Å; S376-Q378 PolarHBondContact O-N 2.94Å; S376-Q378 VanDerWaalsContact O-N 3.15Å
377F26.1Very low27.3Very low185 Ų185140.6 Ų140.681%0.81181%0.805SS**  trans-76.195.4167.5-92.8-85.8000108.5I375I375-F377 HydrophobicContact CG2-CD2 3.55Å; I375-F377 HydrophobicContact CG2-CE2 3.51Å
378Q26.5Very low27.3Very low177 Ų177140.6 Ų140.683%0.82780%0.803SS**  trans-84.6112.9162.7-120.8174-23.900108.4S376 S380S376-Q378 PolarHBondContact O-N 2.94Å; S376-Q378 VanDerWaalsContact O-N 3.15Å; Q378-S380 PolarHBondContact O-N 3.1Å; Q378-S380 VanDerWaalsContact O-N 3.1Å
379L24.9Very low27.4Very low176 Ų176142.6 Ų142.692%0.92181%0.81SS**  trans-68.197.2164.1-84.6156.6000108K381L379-K381 PolarHBondContact O-N 3.26Å
380S28.6Very low27.5Very low105 Ų105140.8 Ų140.873%0.73480%0.803SS**  trans-78113.5161.949.20000108.7Q378 L382Q378-S380 PolarHBondContact O-N 3.1Å; Q378-S380 VanDerWaalsContact O-N 3.1Å; S380-L382 PolarHBondContact O-N 3.45Å
381K29.1Very low27.7Very low178 Ų178144.9 Ų144.977%0.77480%0.804SS**  trans-63.2115161.3-82.5-178.1168.3-166.20108.1L379 E383L379-K381 PolarHBondContact O-N 3.26Å; K381-E383 IonicContact NZ-OE1 3.91Å; K381-E383 PolarHBondContact O-N 3.4Å
382L26.3Very low27.8Very low169 Ų169146.1 Ų146.189%0.88580%0.799SS**  trans-74.7100152-91.3144.9000106.9S380S380-L382 PolarHBondContact O-N 3.45Å
383E30.6Very low28Very low160 Ų160148.9 Ų148.975%0.74881%0.805SS**  trans-99.1109.2152.9-85.3171.6-163.500106.7K381K381-E383 IonicContact NZ-OE1 3.91Å; K381-E383 PolarHBondContact O-N 3.4Å
384S31.9Very low28.2Very low100 Ų100152.9 Ų152.970%0.69981%0.814SS**  trans-65.1131.2170.648.50000110.3F386S384-F386 PolarHBondContact O-N 3.36Å
385T27.8Very low28.3Very low125 Ų125157.5 Ų157.577%0.76782%0.815SS**  trans1.2107.5143.745.70000115.7
386F34.9Very low28.5Very low285 Ų285159.7 Ų159.7100%1.2583%0.827SS**  trans-156.30130.5-101.3-72.7000109.3S384S384-F386 PolarHBondContact O-N 3.36Å

Retrieved 386 of 386 residues in 122.1 ms (Link to these results)

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