A0A087XJ17_POEFO Loading...

Histone deacetylase 1

Histone deacetylase that catalyzes the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events. Histone deacetylases act via the formation of large multiprotein complexes. Also functions as deacetylase for non-histone proteins.

AlphaFold DB , UniProt , Accession A0A087XJ17, Species POEFO (Poecilia formosa, Amazon molly), Gene HDAC1, Length 482 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
1M34Very low60Low242 Ų242114.2 Ų114.2100%1.19265%0.645SS**  01140-73.4175.6177.800106.6L3M1-L3 PolarHBondContact O-N 3.4Å
2A28.8Very low63.2Low104 Ų104104.7 Ų104.786%0.8659%0.591SS**  trans-66.8119.3176.200000107.8S4A2-S4 PolarHBondContact O-N 3.46Å
3L34.9Very low66Low174 Ų17496.6 Ų96.691%0.91155%0.546SS*.  trans-59.6103.8163.2-77.9150.5000105.8M1 Q5M1-L3 PolarHBondContact O-N 3.4Å; L3-Q5 PolarHBondContact O-N 3.07Å; L3-Q5 VanDerWaalsContact O-N 3.13Å
4S37.8Very low68.3Low98 Ų9889.9 Ų89.969%0.68551%0.507SS*.  trans-58.1120.7168.459.10000106.5A2 G6A2-S4 PolarHBondContact O-N 3.46Å; S4-G6 PolarHBondContact O-N 3.3Å
5Q39.6Very low70.3Confident198 Ų19886 Ų8693%0.92548%0.482SS*.  trans-58.495162.6-76.1178.5-23.400106.3L3 T7L3-Q5 PolarHBondContact O-N 3.07Å; L3-Q5 VanDerWaalsContact O-N 3.13Å; Q5-T7 PolarHBondContact O-N 3.4Å
6G51.1Low72.1Confident61 Ų6181.1 Ų81.163%0.62945%0.454SS*.PPolyproline II helixtrans-65.5131.4-177.300000109S4 K8S4-G6 PolarHBondContact O-N 3.3Å; G6-K8 PolarHBondContact O-N 2.96Å
7T65.4Low73.4Confident133 Ų13378.4 Ų78.482%0.81645%0.448SS*.PPolyproline II helixtrans-50.3135.1161.942.80000108.7Q5 K9Q5-T7 PolarHBondContact O-N 3.4Å; T7-K9 PolarHBondContact O-N 2.76Å
8K81.6Confident74.7Confident135 Ų13577.8 Ų77.859%0.58744%0.444SS*.PPolyproline II helixtrans-50.7127.4176.1-78.6179.2176.3168.80108.9G6 E417G6-K8 PolarHBondContact O-N 2.96Å; K8-E417 IonicContact NZ-OE1 3.9Å; K8-E417 PolarHBondContact NZ-OE1 3.11Å; K8-E417 IonicContact NZ-OE2 3.23Å; K8-E417 PolarHBondContact NZ-OE2 2.96Å
9K91.6Very high75.8Confident33 Ų3373.8 Ų73.814%0.14342%0.421CS..PPolyproline II helixtrans-66136.9179.5-72.3-170.6-178.6-176.10110.1T7 D130 I131 K289 N292T7-K9 PolarHBondContact O-N 2.76Å; K9-D130 WeakPolarHBondContact CA-OD2 3.33Å; K9-D130 HydrophobicContact CB-CB 3.91Å; K9-D130 HydrophobicContact CD-CB 4.25Å; K9-D130 HydrophobicContact CG-CB 4.13Å; K9-I131 HydrophobicContact CB-CD1 4.36Å; K9-I131 HydrophobicContact CD-CD1 3.98Å; K9-I131 HydrophobicContact CD-CG1 4.24Å; K9-K289 HydrophobicContact CD-CG 4.37Å; K9-K289 PolarHBondContact NZ-O 2.86Å; K9-N292 WeakPolarHBondContact CE-OD1 3.28Å; K9-N292 PolarHBondContact NZ-OD1 2.7Å; K9-N292 VanDerWaalsContact NZ-OD1 3.15Å
10K97Very high76.8Confident75 Ų7570.4 Ų70.433%0.32640%0.403SS..PPolyproline II helixtrans-76.2132.1173.7-173.3172.6174.8-173.60109.7E52 Q128 T129 D130 I131K10-E52 WeakPolarHBondContact CE-OE1 3.29Å; K10-E52 WeakPolarHBondContact CE-OE2 3.17Å; K10-E52 VanDerWaalsContact NZ-CD 3.34Å; K10-E52 IonicContact NZ-OE1 3.37Å; K10-E52 PolarHBondContact NZ-OE1 2.78Å; K10-E52 IonicContact NZ-OE2 2.59Å; K10-E52 PolarHBondContact NZ-OE2 3.34Å; K10-Q128 VanDerWaalsContact CD-O 3.32Å; K10-Q128 WeakPolarHBondContact CD-O 3.41Å; K10-Q128 WeakPolarHBondContact CE-O 3.36Å; K10-Q128 PolarHBondContact NZ-O 3.24Å; K10-Q128 VanDerWaalsContact NZ-O 3.14Å; K10-T129 PolarHBondContact O-OG1 3Å; K10-D130 PolarHBondContact N-OD2 3.34Å; K10-D130 PolarHBondContact O-N 2.92Å; K10-D130 VanDerWaalsContact O-N 3.1Å; K10-I131 PolarHBondContact O-N 2.79Å
11V98.4Very high77.8Confident3 Ų371.6 Ų71.62%0.01841%0.408CS..EExtended strand (participates in β ladder)trans-120.6128.3-178.5-174.80000109.7M51 E52 I131 I133 L320V11-M51 HydrophobicContact CB-CB 4.15Å; V11-M51 HydrophobicContact CG1-CB 4.25Å; V11-M51 WeakPolarHBondContact O-CA 3.46Å; V11-M51 WeakPolarHBondContact O-CB 3.5Å; V11-E52 PolarHBondContact O-N 3.5Å; V11-I131 WeakPolarHBondContact CA-O 3.4Å; V11-I131 HydrophobicContact CG1-CB 4.46Å; V11-I131 HydrophobicContact CG1-CG2 4.49Å; V11-I131 HydrophobicContact CG2-CB 4.19Å; V11-I131 HydrophobicContact CG2-CD1 4.39Å; V11-I133 HydrophobicContact CG1-CD1 3.66Å; V11-I133 HydrophobicContact CG1-CG1 4.08Å; V11-L320 HydrophobicContact CB-CD2 3.76Å; V11-L320 HydrophobicContact CG1-CD2 4.29Å; V11-L320 HydrophobicContact CG2-CD2 3.58Å; V11-L320 HydrophobicContact CG2-CG 4.32Å
12C98.5Very high80.9Confident0 Ų061.2 Ų61.20%036%0.356CS..EExtended strand (participates in β ladder)trans-109.2139167.4-62.80000109.4Y14 E52 Y54 T129 I131 A132 I133C12-Y14 HydrophobicContact CB-CE2 4.27Å; C12-E52 CarbonylContact C-O 3.58Å; C12-E52 WeakPolarHBondContact CA-O 3.38Å; C12-E52 PolarHBondContact SG-OE2 2.97Å; C12-Y54 HydrophobicContact CB-CD2 4.12Å; C12-Y54 HydrophobicContact CB-CE2 4.03Å; C12-T129 HydrophobicContact CB-CG2 4.46Å; C12-T129 PolarHBondContact N-OG1 2.87Å; C12-T129 VanDerWaalsContact SG-CB 3.51Å; C12-T129 PolarHBondContact SG-OG1 2.89Å; C12-I131 PolarHBondContact N-O 3.41Å; C12-A132 CarbonylContact O-C 3.44Å; C12-A132 WeakPolarHBondContact O-CA 3.41Å; C12-I133 PolarHBondContact O-N 2.88Å
13Y98.8Very high84.1Confident0 Ų062.7 Ų62.70%034%0.34CS..EExtended strand (participates in β ladder)trans-126.1130.1-178.7168.9-104.3000110.4Y15 H39 L42 M51 E52 I53 Y54 I133 W135Y13-Y15 VanDerWaalsContact CE1-CB 3.48Å; Y13-Y15 HydrophobicContact CE1-CG 4.29Å; Y13-H39 AromaticContact CE1-ND1 3.43Å; Y13-H39 WeakPolarHBondContact CE1-ND1 3.39Å; Y13-H39 AromaticContact CZ-ND1 3.87Å; Y13-H39 PolarHBondContact OH-ND1 2.86Å; Y13-L42 HydrophobicContact CE1-CD1 4.46Å; Y13-L42 HydrophobicContact CE2-CD1 4.11Å; Y13-M51 VanDerWaalsContact CB-SD 3.56Å; Y13-M51 HydrophobicContact CD1-CE 3.66Å; Y13-M51 HydrophobicContact CD1-SD 4.49Å; Y13-M51 HydrophobicContact CD2-CE 4.48Å; Y13-M51 HydrophobicContact CE1-CE 4.33Å; Y13-M51 HydrophobicContact CG-CE 3.73Å; Y13-M51 HydrophobicContact CG-SD 4.03Å; Y13-E52 PolarHBondContact N-O 3.37Å; Y13-I53 HydrophobicContact CD1-CD1 4.19Å; Y13-I53 HydrophobicContact CD1-CG1 4.02Å; Y13-I53 HydrophobicContact CD1-CG2 4.08Å; Y13-I53 CarbonylContact O-C 3.44Å; Y13-I53 WeakPolarHBondContact O-CA 3.47Å; Y13-Y54 PolarHBondContact O-N 3.24Å; Y13-I133 HydrophobicContact CD2-CB 4.02Å; Y13-I133 HydrophobicContact CD2-CG2 3.87Å; Y13-I133 HydrophobicContact CE2-CG2 4.36Å; Y13-W135 AromaticContact CE2-CD1 3.5Å; Y13-W135 HydrophobicContact CE2-CG 4.35Å; Y13-W135 AromaticContact CE2-NE1 3.96Å
14Y98.8Very high87.1Confident3 Ų354.7 Ų54.71%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-106.2127.2-177-67.1-92.1000111.2C12 Y54 P56 A119 A132 I133C12-Y14 HydrophobicContact CB-CE2 4.27Å; Y14-Y54 WeakPolarHBondContact CA-O 3.29Å; Y14-Y54 HydrophobicContact CE1-CG 4.2Å; Y14-P56 HydrophobicContact CD1-CB 4.45Å; Y14-A119 HydrophobicContact CD1-CB 4.2Å; Y14-A119 HydrophobicContact CE1-CB 3.53Å; Y14-A119 PolarHBondContact OH-O 3.39Å; Y14-A132 HydrophobicContact CE2-CB 4.32Å; Y14-I133 PolarHBondContact N-O 3.21Å
15Y98.6Very high89.9Confident31 Ų3151.1 Ų51.112%0.12228%0.276CS..  trans-153.6137.8178.6175.2-102.6000112Y13 V19 I35 H39 Y54 R55 P56Y13-Y15 VanDerWaalsContact CE1-CB 3.48Å; Y13-Y15 HydrophobicContact CE1-CG 4.29Å; Y15-V19 HydrophobicContact CD2-CG1 4.27Å; Y15-V19 HydrophobicContact CE2-CG1 3.86Å; Y15-I35 HydrophobicContact CD2-CG2 4.16Å; Y15-I35 HydrophobicContact CE2-CG2 4.2Å; Y15-H39 AromaticContact CD1-CD2 3.75Å; Y15-H39 AromaticContact CD1-CE1 3.35Å; Y15-H39 WeakPolarHBondContact CD1-CE1 3.48Å; Y15-H39 AromaticContact CD1-CG 3.66Å; Y15-H39 AromaticContact CD1-ND1 3.42Å; Y15-H39 WeakPolarHBondContact CD1-ND1 3.42Å; Y15-H39 AromaticContact CD1-NE2 3.56Å; Y15-H39 HydrophobicContact CD2-CB 3.93Å; Y15-H39 AromaticContact CD2-CG 3.92Å; Y15-H39 AromaticContact CD2-ND1 3.93Å; Y15-H39 HydrophobicContact CE1-CB 4.23Å; Y15-H39 AromaticContact CE1-CD2 3.31Å; Y15-H39 WeakPolarHBondContact CE1-CD2 3.33Å; Y15-H39 AromaticContact CE1-CE1 3.76Å; Y15-H39 AromaticContact CE1-CG 3.52Å; Y15-H39 AromaticContact CE1-ND1 3.79Å; Y15-H39 AromaticContact CE1-NE2 3.48Å; Y15-H39 WeakPolarHBondContact CE1-NE2 3.3Å; Y15-H39 HydrophobicContact CE2-CB 3.62Å; Y15-H39 AromaticContact CE2-CG 3.79Å; Y15-H39 HydrophobicContact CG-CB 4.36Å; Y15-H39 AromaticContact CG-CE1 3.85Å; Y15-H39 AromaticContact CG-CG 3.85Å; Y15-H39 AromaticContact CG-ND1 3.48Å; Y15-H39 AromaticContact CZ-CD2 3.63Å; Y15-H39 AromaticContact CZ-CG 3.58Å; Y15-Y54 PolarHBondContact N-O 2.9Å; Y15-R55 WeakPolarHBondContact O-CA 3.11Å; Y15-P56 WeakPolarHBondContact O-CD 3.31Å
16D98.1Very high92.5Very high7 Ų750.6 Ų50.64%0.03727%0.274CS..  trans-118.3132.3168.6-168.5-58.8000109.2D18 V19 R55 P56 L112D16-D18 PolarHBondContact O-N 2.89Å; D16-D18 VanDerWaalsContact O-N 3.16Å; D16-D18 WeakPolarHBondContact OD1-CB 3.41Å; D16-D18 PolarHBondContact OD1-N 2.98Å; D16-V19 WeakPolarHBondContact O-CB 3.44Å; D16-V19 WeakPolarHBondContact O-CG1 3.27Å; D16-V19 PolarHBondContact O-N 3.39Å; D16-R55 HydrophobicContact CB-CG 4.46Å; D16-R55 IonicContact OD1-CZ 3.63Å; D16-R55 IonicContact OD1-NE 2.75Å; D16-R55 IonicContact OD1-NH2 2.96Å; D16-R55 PolarHBondContact OD1-NH2 3.09Å; D16-R55 IonicContact OD2-CZ 2.83Å; D16-R55 VanDerWaalsContact OD2-CZ 3.23Å; D16-R55 IonicContact OD2-NE 3.75Å; D16-R55 PolarHBondContact OD2-NE 2.65Å; D16-R55 IonicContact OD2-NH2 3.59Å; D16-R55 PolarHBondContact OD2-NH2 2.94Å; D16-P56 HydrophobicContact CB-CG 4.08Å; D16-L112 HydrophobicContact CB-CD1 4.12Å; D16-L112 HydrophobicContact CB-CD2 3.93Å
17G95.6Very high94.6Very high35 Ų3551 Ų5136%0.36128%0.277SS..THydrogen-bonded Turntrans-60.3-23.4-178.900000114.6
18D95.9Very high96.2Very high68 Ų6845.7 Ų45.736%0.36424%0.243SC..THydrogen-bonded Turntrans-77.8-22.5-178.9-65.1-36.5000112.5D16 G20 N21 Y22 R55 L112D16-D18 PolarHBondContact O-N 2.89Å; D16-D18 VanDerWaalsContact O-N 3.16Å; D16-D18 WeakPolarHBondContact OD1-CB 3.41Å; D16-D18 PolarHBondContact OD1-N 2.98Å; D18-G20 PolarHBondContact O-N 2.78Å; D18-G20 VanDerWaalsContact O-N 3.09Å; D18-N21 WeakPolarHBondContact O-CB 3.23Å; D18-N21 PolarHBondContact O-N 3.46Å; D18-Y22 HydrophobicContact CB-CE2 4.35Å; D18-Y22 WeakPolarHBondContact O-CD2 3.23Å; D18-Y22 WeakPolarHBondContact O-CE2 3.38Å; D18-R55 IonicContact OD2-NH2 2.92Å; D18-R55 PolarHBondContact OD2-NH2 3.34Å; D18-L112 HydrophobicContact CB-CD1 4.42Å
19V96.2Very high96.9Very high2 Ų240.3 Ų40.31%0.01222%0.223CC..G310 helixtrans-57.6-33.5-173.878.50000113Y15 D16 N21 P32 I35 F109 A136Y15-V19 HydrophobicContact CD2-CG1 4.27Å; Y15-V19 HydrophobicContact CE2-CG1 3.86Å; D16-V19 WeakPolarHBondContact O-CB 3.44Å; D16-V19 WeakPolarHBondContact O-CG1 3.27Å; D16-V19 PolarHBondContact O-N 3.39Å; V19-N21 PolarHBondContact O-N 3.3Å; V19-P32 WeakPolarHBondContact O-CB 3.3Å; V19-I35 HydrophobicContact CG1-CB 4.07Å; V19-I35 HydrophobicContact CG1-CD1 4.36Å; V19-I35 HydrophobicContact CG1-CG2 3.73Å; V19-I35 HydrophobicContact CG2-CD1 3.8Å; V19-F109 HydrophobicContact CG2-CD2 4.41Å; V19-F109 HydrophobicContact CG2-CE2 4.33Å; V19-A136 HydrophobicContact CG2-CB 3.96Å
20G95.7Very high97.2Very high6 Ų639.6 Ų39.66%0.06222%0.22CC..G310 helixtrans-76-8.3-179.600000114.9D18D18-G20 PolarHBondContact O-N 2.78Å; D18-G20 VanDerWaalsContact O-N 3.09Å
21N97.5Very high97.3Very high96 Ų9639 Ų3951%0.51322%0.217SC..G310 helixtrans-97.2-19-175.7-57.1-29.6000112.5D18 V19 R36D18-N21 WeakPolarHBondContact O-CB 3.23Å; D18-N21 PolarHBondContact O-N 3.46Å; V19-N21 PolarHBondContact O-N 3.3Å; N21-R36 PolarHBondContact OD1-NH1 3Å
22Y98.1Very high97.2Very high24 Ų2439 Ų399%0.09422%0.217CC..  trans-66.8139.1175.5-61-76.1000111.3D18 P32 F103 G105 E108 F109 L112D18-Y22 HydrophobicContact CB-CE2 4.35Å; D18-Y22 WeakPolarHBondContact O-CD2 3.23Å; D18-Y22 WeakPolarHBondContact O-CE2 3.38Å; Y22-P32 WeakPolarHBondContact O-CD 3.26Å; Y22-P32 WeakPolarHBondContact O-CG 3.19Å; Y22-F103 HydrophobicContact CD1-CE2 4.5Å; Y22-G105 VanDerWaalsContact CE1-O 3.28Å; Y22-G105 WeakPolarHBondContact CE1-O 3.34Å; Y22-E108 HydrophobicContact CE1-CB 4.03Å; Y22-E108 WeakPolarHBondContact OH-CB 3.42Å; Y22-E108 PolarHBondContact OH-OE2 3.26Å; Y22-F109 HydrophobicContact CD1-CB 4.11Å; Y22-F109 HydrophobicContact CD2-CB 4.02Å; Y22-F109 AromaticContact CD2-CD2 3.99Å; Y22-F109 HydrophobicContact CD2-CD2 3.99Å; Y22-F109 HydrophobicContact CE1-CB 4.46Å; Y22-F109 HydrophobicContact CE2-CB 4.38Å; Y22-F109 HydrophobicContact CG-CB 3.88Å; Y22-F109 HydrophobicContact CG-CD2 4.2Å; Y22-F109 HydrophobicContact CG-CG 4.47Å; Y22-L112 HydrophobicContact CE2-CD1 3.76Å
23Y97.9Very high97.2Very high135 Ų13541.4 Ų41.453%0.52923%0.228SC..  trans-133.8115-170.2-178.6-113000111.3G25 Q26 F103Y23-G25 VanDerWaalsContact CE1-CA 3.4Å; Y23-G25 VanDerWaalsContact CZ-O 3.28Å; Y23-G25 PolarHBondContact O-N 3.29Å; Y23-G25 PolarHBondContact OH-O 3.04Å; Y23-Q26 VanDerWaalsContact OH-CA 3.26Å; Y23-Q26 WeakPolarHBondContact OH-CA 3.3Å; Y23-Q26 PolarHBondContact OH-N 3.1Å; Y23-F103 VanDerWaalsContact O-CB 3.24Å; Y23-F103 WeakPolarHBondContact O-CB 3.48Å; Y23-F103 WeakPolarHBondContact O-CG 3.49Å
24Y97.1Very high97.2Very high6 Ų641.9 Ų41.92%0.02423%0.23CC..  trans-68.6-17-176.7-83.7-121.9000113.6H28 M30 P32 P101 F103 F109 F150 Y152Y24-H28 WeakPolarHBondContact CB-ND1 3.4Å; Y24-H28 AromaticContact CD1-CE1 3.43Å; Y24-H28 VanDerWaalsContact CD1-CE1 3.43Å; Y24-H28 WeakPolarHBondContact CD1-CE1 3.45Å; Y24-H28 AromaticContact CD1-ND1 3.64Å; Y24-H28 AromaticContact CD1-NE2 3.97Å; Y24-H28 AromaticContact CG-ND1 3.84Å; Y24-M30 HydrophobicContact CD1-CB 3.95Å; Y24-M30 HydrophobicContact CD1-CG 4.05Å; Y24-M30 HydrophobicContact CD2-CB 4.45Å; Y24-M30 HydrophobicContact CD2-CG 3.99Å; Y24-M30 HydrophobicContact CE1-CB 4.05Å; Y24-M30 HydrophobicContact CE1-CG 3.75Å; Y24-M30 HydrophobicContact CE2-CG 3.72Å; Y24-M30 HydrophobicContact CG-CB 4.15Å; Y24-M30 HydrophobicContact CG-CG 4.16Å; Y24-P32 HydrophobicContact CD2-CG 3.86Å; Y24-P32 HydrophobicContact CE2-CG 3.66Å; Y24-P101 HydrophobicContact CD1-CG 4.18Å; Y24-P101 WeakPolarHBondContact O-CG 3.26Å; Y24-F103 HydrophobicContact CD1-CE1 4.12Å; Y24-F103 AromaticContact CD2-CE1 3.91Å; Y24-F103 HydrophobicContact CD2-CE1 3.91Å; Y24-F103 AromaticContact CD2-CZ 4Å; Y24-F103 HydrophobicContact CD2-CZ 4Å; Y24-F103 HydrophobicContact CE1-CE1 4.15Å; Y24-F103 AromaticContact CE2-CE1 3.91Å; Y24-F103 HydrophobicContact CE2-CE1 3.91Å; Y24-F103 AromaticContact CE2-CZ 3.76Å; Y24-F103 HydrophobicContact CE2-CZ 3.76Å; Y24-F103 HydrophobicContact CG-CD1 4.35Å; Y24-F103 HydrophobicContact CG-CE1 4.01Å; Y24-F109 HydrophobicContact CE2-CE1 4.19Å; Y24-F109 HydrophobicContact CE2-CZ 4.16Å; Y24-F109 WeakPolarHBondContact OH-CE1 3.44Å; Y24-F109 WeakPolarHBondContact OH-CZ 3.4Å; Y24-F150 HydrophobicContact CE1-CB 4.14Å; Y24-F150 PolarHBondContact OH-O 3.35Å; Y24-Y152 AromaticContact CE1-CE2 3.87Å; Y24-Y152 HydrophobicContact CE1-CE2 3.87Å
25G95.8Very high97.2Very high22 Ų2242 Ų4223%0.22723%0.231CC..  trans124.7169.2-179.100000113.7Y23 G27 H28Y23-G25 VanDerWaalsContact CE1-CA 3.4Å; Y23-G25 VanDerWaalsContact CZ-O 3.28Å; Y23-G25 PolarHBondContact O-N 3.29Å; Y23-G25 PolarHBondContact OH-O 3.04Å; G25-G27 PolarHBondContact O-N 3.31Å; G25-H28 WeakPolarHBondContact O-CB 3.35Å; G25-H28 PolarHBondContact O-N 3.33Å
26Q95.6Very high97.2Very high188 Ų18844.6 Ų44.688%0.87924%0.241SC*.THydrogen-bonded Turntrans-64.8133.8-178.1-169.91778.900111.2Y23 H28Y23-Q26 VanDerWaalsContact OH-CA 3.26Å; Y23-Q26 WeakPolarHBondContact OH-CA 3.3Å; Y23-Q26 PolarHBondContact OH-N 3.1Å; Q26-H28 PolarHBondContact O-N 3.46Å; Q26-H28 VanDerWaalsContact O-N 3.15Å
27G94.8Very high97.3Very high68 Ų6844.2 Ų44.270%0.70124%0.239SC*.THydrogen-bonded Turntrans78.3-16.6-179.700000114.9G25G25-G27 PolarHBondContact O-N 3.31Å
28H97.9Very high97.4Very high22 Ų2242.6 Ų42.610%0.10222%0.222CC..  trans-63.9135.2-176.5-161.4-82.3000112.1Y24 G25 Q26 M30 K31 D99 F150Y24-H28 WeakPolarHBondContact CB-ND1 3.4Å; Y24-H28 AromaticContact CD1-CE1 3.43Å; Y24-H28 VanDerWaalsContact CD1-CE1 3.43Å; Y24-H28 WeakPolarHBondContact CD1-CE1 3.45Å; Y24-H28 AromaticContact CD1-ND1 3.64Å; Y24-H28 AromaticContact CD1-NE2 3.97Å; Y24-H28 AromaticContact CG-ND1 3.84Å; G25-H28 WeakPolarHBondContact O-CB 3.35Å; G25-H28 PolarHBondContact O-N 3.33Å; Q26-H28 PolarHBondContact O-N 3.46Å; Q26-H28 VanDerWaalsContact O-N 3.15Å; H28-M30 VanDerWaalsContact CE1-CB 3.48Å; H28-M30 WeakPolarHBondContact CE1-CB 3.32Å; H28-M30 WeakPolarHBondContact ND1-CB 3.35Å; H28-M30 PolarHBondContact ND1-N 3.27Å; H28-M30 VanDerWaalsContact ND1-N 3.14Å; H28-K31 PolarHBondContact O-NZ 3.27Å; H28-D99 PolarHBondContact NE2-O 3.11Å; H28-D99 VanDerWaalsContact NE2-O 3.11Å; H28-F150 AromaticContact CE1-CD1 3.32Å; H28-F150 WeakPolarHBondContact CE1-CD1 3.48Å; H28-F150 AromaticContact CE1-CE1 3.55Å; H28-F150 AromaticContact CE1-CG 3.84Å; H28-F150 AromaticContact NE2-CD1 3.4Å; H28-F150 WeakPolarHBondContact NE2-CD1 3.33Å; H28-F150 AromaticContact NE2-CE1 3.44Å; H28-F150 WeakPolarHBondContact NE2-CE1 3.36Å
29P97.1Very high97.5Very high23 Ų2340.5 Ų40.515%0.14921%0.21CC..SBendtrans-74.7-35.6-175.928.9-35.4000113.1K31 F150 L271 Y303P29-K31 PolarHBondContact O-N 2.73Å; P29-F150 HydrophobicContact CG-CE1 4.41Å; P29-F150 HydrophobicContact CG-CE2 4.08Å; P29-F150 HydrophobicContact CG-CZ 3.72Å; P29-L271 HydrophobicContact CB-CD1 4.09Å; P29-L271 HydrophobicContact CB-CG 4.49Å; P29-L271 HydrophobicContact CG-CD1 4.04Å; P29-Y303 HydrophobicContact CB-CD1 3.86Å; P29-Y303 HydrophobicContact CB-CE1 4.49Å; P29-Y303 HydrophobicContact CB-CG 4.41Å
30M97.7Very high97.7Very high17 Ų1741.3 Ų41.38%0.08421%0.214CC..  trans-65.3121.2174.8-179.855.873.800110.5Y24 H28 R34 F150 Y303Y24-M30 HydrophobicContact CD1-CB 3.95Å; Y24-M30 HydrophobicContact CD1-CG 4.05Å; Y24-M30 HydrophobicContact CD2-CB 4.45Å; Y24-M30 HydrophobicContact CD2-CG 3.99Å; Y24-M30 HydrophobicContact CE1-CB 4.05Å; Y24-M30 HydrophobicContact CE1-CG 3.75Å; Y24-M30 HydrophobicContact CE2-CG 3.72Å; Y24-M30 HydrophobicContact CG-CB 4.15Å; Y24-M30 HydrophobicContact CG-CG 4.16Å; H28-M30 VanDerWaalsContact CE1-CB 3.48Å; H28-M30 WeakPolarHBondContact CE1-CB 3.32Å; H28-M30 WeakPolarHBondContact ND1-CB 3.35Å; H28-M30 PolarHBondContact ND1-N 3.27Å; H28-M30 VanDerWaalsContact ND1-N 3.14Å; M30-R34 PolarHBondContact SD-NH2 3.33Å; M30-F150 HydrophobicContact CB-CB 4.39Å; M30-F150 HydrophobicContact CB-CD2 4.34Å; M30-F150 HydrophobicContact CB-CG 4.31Å; M30-F150 HydrophobicContact CE-CB 4.27Å; M30-F150 HydrophobicContact CE-CD2 4.27Å; M30-Y303 HydrophobicContact CE-CE1 4.17Å
31K98.3Very high97.8Very high62 Ų6241 Ų4127%0.2721%0.211SC..  trans-130.296.8-179.5-66.1-175.2-169.6-52.50109.9H28 P29 H33 R34 I305H28-K31 PolarHBondContact O-NZ 3.27Å; P29-K31 PolarHBondContact O-N 2.73Å; K31-H33 PolarHBondContact O-N 3.13Å; K31-R34 WeakPolarHBondContact O-CD 3.2Å; K31-R34 WeakPolarHBondContact O-CG 3.32Å; K31-R34 PolarHBondContact O-N 2.7Å; K31-I305 HydrophobicContact CB-CG2 4.03Å; K31-I305 HydrophobicContact CD-CD1 4.49Å; K31-I305 HydrophobicContact CD-CG2 4.22Å
32P98.3Very high97.8Very high3 Ų336.5 Ų36.52%0.01919%0.187CC..THydrogen-bonded Turntrans-52.8-26.1176.9-3038000114.1V19 Y22 Y24 R34 I35 F109V19-P32 WeakPolarHBondContact O-CB 3.3Å; Y22-P32 WeakPolarHBondContact O-CD 3.26Å; Y22-P32 WeakPolarHBondContact O-CG 3.19Å; Y24-P32 HydrophobicContact CD2-CG 3.86Å; Y24-P32 HydrophobicContact CE2-CG 3.66Å; P32-R34 PolarHBondContact O-N 3.06Å; P32-I35 WeakPolarHBondContact O-CB 3.39Å; P32-I35 WeakPolarHBondContact O-CG1 3.49Å; P32-I35 PolarHBondContact O-N 3.42Å; P32-F109 HydrophobicContact CB-CE2 4.03Å; P32-F109 HydrophobicContact CG-CD2 4.31Å; P32-F109 HydrophobicContact CG-CE2 3.82Å; P32-F109 HydrophobicContact CG-CZ 4.46Å
33H98.4Very high97.8Very high51 Ų5138.2 Ų38.224%0.23620%0.197CC..Hα-helixtrans-48.3-29.6172.1-166.968000114.8K31 I35 R36 M37 Y333K31-H33 PolarHBondContact O-N 3.13Å; H33-I35 PolarHBondContact O-N 3.38Å; H33-R36 WeakPolarHBondContact O-CB 3.45Å; H33-R36 PolarHBondContact O-N 3.19Å; H33-R36 VanDerWaalsContact O-N 3.07Å; H33-M37 PolarHBondContact O-N 3.29Å; H33-Y333 AromaticContact CE1-CE1 3.48Å; H33-Y333 VanDerWaalsContact CE1-CE1 3.48Å; H33-Y333 WeakPolarHBondContact CE1-CE1 3.21Å; H33-Y333 AromaticContact CE1-CZ 3.59Å; H33-Y333 PolarHBondContact CE1-OH 3.25Å; H33-Y333 AromaticContact NE2-CD1 3.77Å; H33-Y333 AromaticContact NE2-CE1 3.34Å; H33-Y333 VanDerWaalsContact NE2-CE1 3.34Å; H33-Y333 WeakPolarHBondContact NE2-CE1 3.42Å; H33-Y333 AromaticContact NE2-CZ 3.76Å
34R98.6Very high97.8Very high11 Ų1135.2 Ų35.24%0.04219%0.19CC..Hα-helixtrans-56.8-32.3175.372.5-161.6171.1108.43.3113M30 K31 P32 M37 T38 G300 G301 I305 V308 W312M30-R34 PolarHBondContact SD-NH2 3.33Å; K31-R34 WeakPolarHBondContact O-CD 3.2Å; K31-R34 WeakPolarHBondContact O-CG 3.32Å; K31-R34 PolarHBondContact O-N 2.7Å; P32-R34 PolarHBondContact O-N 3.06Å; R34-M37 PolarHBondContact O-N 3.06Å; R34-T38 PolarHBondContact O-N 2.82Å; R34-T38 PolarHBondContact O-OG1 3Å; R34-T38 VanDerWaalsContact O-OG1 3.07Å; R34-G300 VanDerWaalsContact CZ-O 3.24Å; R34-G300 PolarHBondContact NH1-O 3.43Å; R34-G300 PolarHBondContact NH2-O 2.95Å; R34-G301 PolarHBondContact NH1-O 3.04Å; R34-G301 VanDerWaalsContact NH1-O 3.09Å; R34-I305 HydrophobicContact CB-CB 3.93Å; R34-I305 HydrophobicContact CB-CG2 3.94Å; R34-V308 HydrophobicContact CB-CB 4.42Å; R34-V308 HydrophobicContact CB-CG1 4.24Å; R34-V308 HydrophobicContact CG-CG1 4.09Å; R34-W312 HydrophobicContact CG-CZ3 4.27Å; R34-W312 VanDerWaalsContact NH1-CZ2 3.35Å
35I98.7Very high97.8Very high5 Ų536.3 Ų36.33%0.02619%0.194CC..Hα-helixtrans-68.1-41.4177.7-57.3156.4000110.1Y15 V19 P32 H33 T38 H39 A136 W312Y15-I35 HydrophobicContact CD2-CG2 4.16Å; Y15-I35 HydrophobicContact CE2-CG2 4.2Å; V19-I35 HydrophobicContact CG1-CB 4.07Å; V19-I35 HydrophobicContact CG1-CD1 4.36Å; V19-I35 HydrophobicContact CG1-CG2 3.73Å; V19-I35 HydrophobicContact CG2-CD1 3.8Å; P32-I35 WeakPolarHBondContact O-CB 3.39Å; P32-I35 WeakPolarHBondContact O-CG1 3.49Å; P32-I35 PolarHBondContact O-N 3.42Å; H33-I35 PolarHBondContact O-N 3.38Å; I35-T38 WeakPolarHBondContact O-CB 3.19Å; I35-T38 PolarHBondContact O-N 2.86Å; I35-H39 PolarHBondContact O-N 3.26Å; I35-A136 HydrophobicContact CD1-CB 3.91Å; I35-A136 HydrophobicContact CG2-CB 4.47Å; I35-W312 HydrophobicContact CG1-CZ3 4.07Å
36R98.7Very high97.9Very high85 Ų8535.5 Ų35.532%0.32119%0.187SC..Hα-helixtrans-66.3-37.9175.2-178.3170.9177.9174.1-1.4111.9N21 H33 H39 N40 Y333N21-R36 PolarHBondContact OD1-NH1 3Å; H33-R36 WeakPolarHBondContact O-CB 3.45Å; H33-R36 PolarHBondContact O-N 3.19Å; H33-R36 VanDerWaalsContact O-N 3.07Å; R36-H39 PolarHBondContact O-N 3.24Å; R36-N40 WeakPolarHBondContact O-CB 3.38Å; R36-N40 PolarHBondContact O-N 3.31Å; R36-Y333 WeakPolarHBondContact CD-OH 3.36Å; R36-Y333 HydrophobicContact CG-CE2 4.21Å; R36-Y333 PolarHBondContact NE-OH 3.35Å
37M98.7Very high98Very high0 Ų026.7 Ų26.70%015%0.145CC..Hα-helixtrans-61.8-45.6172.5-64.9176.870.400111.6H33 R34 N40 L41 I305 A309 Y333 Y336 F337H33-M37 PolarHBondContact O-N 3.29Å; R34-M37 PolarHBondContact O-N 3.06Å; M37-N40 PolarHBondContact O-N 2.94Å; M37-L41 PolarHBondContact O-N 3.41Å; M37-I305 HydrophobicContact SD-CB 4.29Å; M37-I305 HydrophobicContact SD-CD1 3.77Å; M37-I305 HydrophobicContact SD-CG1 3.98Å; M37-A309 HydrophobicContact CB-CB 3.8Å; M37-Y333 HydrophobicContact CB-CD2 4.31Å; M37-Y333 HydrophobicContact CG-CD2 3.91Å; M37-Y333 HydrophobicContact CG-CE2 4.32Å; M37-Y333 HydrophobicContact CG-CG 4.04Å; M37-Y336 HydrophobicContact CE-CD1 3.87Å; M37-Y336 HydrophobicContact CE-CG 3.94Å; M37-Y336 HydrophobicContact SD-CD1 4.42Å; M37-F337 HydrophobicContact CE-CE1 4.48Å; M37-F337 HydrophobicContact CE-CE2 4.38Å; M37-F337 HydrophobicContact CE-CZ 3.91Å
38T98.8Very high98Very high0 Ų027.1 Ų27.10%013%0.126CC..Hα-helixtrans-57.5-51173.7-56.10000110.8R34 I35 N40 L41 L42 A309 W312R34-T38 PolarHBondContact O-N 2.82Å; R34-T38 PolarHBondContact O-OG1 3Å; R34-T38 VanDerWaalsContact O-OG1 3.07Å; I35-T38 WeakPolarHBondContact O-CB 3.19Å; I35-T38 PolarHBondContact O-N 2.86Å; T38-N40 VanDerWaalsContact C-N 3.33Å; T38-N40 PolarHBondContact O-N 3.07Å; T38-L41 PolarHBondContact O-N 3.21Å; T38-L41 VanDerWaalsContact O-N 3.16Å; T38-L42 HydrophobicContact CG2-CD1 4.08Å; T38-L42 HydrophobicContact CG2-CG 4.32Å; T38-L42 VanDerWaalsContact O-CG 3.31Å; T38-L42 WeakPolarHBondContact O-CG 3.42Å; T38-L42 PolarHBondContact O-N 3.11Å; T38-A309 WeakPolarHBondContact OG1-CA 3.48Å; T38-W312 HydrophobicContact CG2-CB 3.62Å; T38-W312 HydrophobicContact CG2-CE3 4.5Å
39H98.6Very high97.8Very high25 Ų2531.5 Ų31.512%0.11614%0.142CC..Hα-helixtrans-56-47.5-179.8-175.273.9000112.1Y13 Y15 I35 R36 L41 L42 L43Y13-H39 AromaticContact CE1-ND1 3.43Å; Y13-H39 WeakPolarHBondContact CE1-ND1 3.39Å; Y13-H39 AromaticContact CZ-ND1 3.87Å; Y13-H39 PolarHBondContact OH-ND1 2.86Å; Y15-H39 AromaticContact CD1-CD2 3.75Å; Y15-H39 AromaticContact CD1-CE1 3.35Å; Y15-H39 WeakPolarHBondContact CD1-CE1 3.48Å; Y15-H39 AromaticContact CD1-CG 3.66Å; Y15-H39 AromaticContact CD1-ND1 3.42Å; Y15-H39 WeakPolarHBondContact CD1-ND1 3.42Å; Y15-H39 AromaticContact CD1-NE2 3.56Å; Y15-H39 HydrophobicContact CD2-CB 3.93Å; Y15-H39 AromaticContact CD2-CG 3.92Å; Y15-H39 AromaticContact CD2-ND1 3.93Å; Y15-H39 HydrophobicContact CE1-CB 4.23Å; Y15-H39 AromaticContact CE1-CD2 3.31Å; Y15-H39 WeakPolarHBondContact CE1-CD2 3.33Å; Y15-H39 AromaticContact CE1-CE1 3.76Å; Y15-H39 AromaticContact CE1-CG 3.52Å; Y15-H39 AromaticContact CE1-ND1 3.79Å; Y15-H39 AromaticContact CE1-NE2 3.48Å; Y15-H39 WeakPolarHBondContact CE1-NE2 3.3Å; Y15-H39 HydrophobicContact CE2-CB 3.62Å; Y15-H39 AromaticContact CE2-CG 3.79Å; Y15-H39 HydrophobicContact CG-CB 4.36Å; Y15-H39 AromaticContact CG-CE1 3.85Å; Y15-H39 AromaticContact CG-CG 3.85Å; Y15-H39 AromaticContact CG-ND1 3.48Å; Y15-H39 AromaticContact CZ-CD2 3.63Å; Y15-H39 AromaticContact CZ-CG 3.58Å; I35-H39 PolarHBondContact O-N 3.26Å; R36-H39 PolarHBondContact O-N 3.24Å; H39-L41 VanDerWaalsContact C-N 3.34Å; H39-L41 PolarHBondContact O-N 3.18Å; H39-L42 WeakPolarHBondContact O-CB 3.43Å; H39-L42 PolarHBondContact O-N 3.1Å; H39-L43 WeakPolarHBondContact O-CG 3.43Å; H39-L43 PolarHBondContact O-N 2.81Å
40N98.4Very high97.8Very high19 Ų1934.8 Ų34.810%0.10215%0.154CC..Hα-helixtrans-64.1-36.3179.6-164.1-104.8000112.4R36 M37 T38 N44 N331 D332 Y333R36-N40 WeakPolarHBondContact O-CB 3.38Å; R36-N40 PolarHBondContact O-N 3.31Å; M37-N40 PolarHBondContact O-N 2.94Å; T38-N40 VanDerWaalsContact C-N 3.33Å; T38-N40 PolarHBondContact O-N 3.07Å; N40-N44 PolarHBondContact O-N 2.99Å; N40-N44 VanDerWaalsContact O-N 3.12Å; N40-N44 PolarHBondContact O-ND2 3.41Å; N40-N44 PolarHBondContact OD1-ND2 3.32Å; N40-N331 VanDerWaalsContact OD1-CB 3.27Å; N40-N331 WeakPolarHBondContact OD1-CB 3.45Å; N40-D332 PolarHBondContact ND2-OD2 2.96Å; N40-D332 PolarHBondContact OD1-N 3.45Å; N40-Y333 HydrophobicContact CB-CD2 4.11Å; N40-Y333 HydrophobicContact CB-CE2 4Å
41L98.4Very high97.7Very high0 Ų034 Ų340%015%0.15CC..Hα-helixtrans-65.7-43.3171.8-78.4-178.2000112.5M37 T38 H39 L43 N44 Y45 A309 T313 L328 N331 F337M37-L41 PolarHBondContact O-N 3.41Å; T38-L41 PolarHBondContact O-N 3.21Å; T38-L41 VanDerWaalsContact O-N 3.16Å; H39-L41 VanDerWaalsContact C-N 3.34Å; H39-L41 PolarHBondContact O-N 3.18Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L41-L43 PolarHBondContact O-N 3.38Å; L41-N44 PolarHBondContact O-N 2.9Å; L41-Y45 WeakPolarHBondContact O-CB 3.38Å; L41-Y45 WeakPolarHBondContact O-CD2 3.43Å; L41-Y45 PolarHBondContact O-N 2.94Å; L41-A309 HydrophobicContact CD1-CB 3.96Å; L41-T313 HydrophobicContact CB-CG2 4.08Å; L41-T313 WeakPolarHBondContact CB-OG1 3.41Å; L41-L328 HydrophobicContact CD1-CD2 4.44Å; L41-L328 HydrophobicContact CD2-CD2 4.07Å; L41-N331 HydrophobicContact CD2-CB 4.44Å; L41-N331 WeakPolarHBondContact CD2-ND2 3.44Å; L41-F337 HydrophobicContact CD1-CE1 4Å; L41-F337 HydrophobicContact CD1-CE2 4.36Å; L41-F337 HydrophobicContact CD1-CZ 3.6Å; L41-F337 HydrophobicContact CD2-CE2 4.21Å; L41-F337 HydrophobicContact CD2-CZ 4.26Å; L41-F337 HydrophobicContact CG-CE2 4.45Å; L41-F337 HydrophobicContact CG-CZ 4.09Å
42L98.1Very high97.7Very high1 Ų132.1 Ų32.11%0.00514%0.142CC..Hα-helixtrans-58.4-41.7177.2-66.9173000111.7Y13 T38 H39 G46 L47 M51 T313 T316Y13-L42 HydrophobicContact CE1-CD1 4.46Å; Y13-L42 HydrophobicContact CE2-CD1 4.11Å; T38-L42 HydrophobicContact CG2-CD1 4.08Å; T38-L42 HydrophobicContact CG2-CG 4.32Å; T38-L42 VanDerWaalsContact O-CG 3.31Å; T38-L42 WeakPolarHBondContact O-CG 3.42Å; T38-L42 PolarHBondContact O-N 3.11Å; H39-L42 WeakPolarHBondContact O-CB 3.43Å; H39-L42 PolarHBondContact O-N 3.1Å; L42-G46 PolarHBondContact O-N 3.35Å; L42-L47 HydrophobicContact CD2-CB 4.4Å; L42-L47 HydrophobicContact CD2-CD1 3.63Å; L42-L47 PolarHBondContact O-N 3.1Å; L42-M51 HydrophobicContact CD1-CE 4.28Å; L42-T313 HydrophobicContact CD2-CG2 4.12Å; L42-T316 HydrophobicContact CD1-CG2 4.38Å; L42-T316 HydrophobicContact CD2-CG2 3.66Å
43L97.4Very high97.6Very high60 Ų6032.5 Ų32.531%0.31414%0.144SC..Hα-helixtrans-60.7-51.9174.9-67.3-179.3000111.2H39 L41 Y45 G46 Y48H39-L43 WeakPolarHBondContact O-CG 3.43Å; H39-L43 PolarHBondContact O-N 2.81Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L41-L43 PolarHBondContact O-N 3.38Å; L43-Y45 VanDerWaalsContact C-N 3.34Å; L43-Y45 PolarHBondContact O-N 3.4Å; L43-G46 WeakPolarHBondContact O-CA 3.47Å; L43-G46 PolarHBondContact O-N 2.93Å; L43-Y48 HydrophobicContact CD2-CD1 4Å; L43-Y48 HydrophobicContact CD2-CD2 4.46Å; L43-Y48 HydrophobicContact CD2-CG 3.83Å; L43-Y48 WeakPolarHBondContact O-CD1 3.36Å; L43-Y48 WeakPolarHBondContact O-CE1 3.28Å
44N98.1Very high97.5Very high71 Ų7130.8 Ų30.838%0.3814%0.135SC..Hα-helixtrans-72.6-23.6-175.4-74.8-68.8000113.7N40 L41 G46 P329 Y330 N331N40-N44 PolarHBondContact O-N 2.99Å; N40-N44 VanDerWaalsContact O-N 3.12Å; N40-N44 PolarHBondContact O-ND2 3.41Å; N40-N44 PolarHBondContact OD1-ND2 3.32Å; L41-N44 PolarHBondContact O-N 2.9Å; N44-G46 PolarHBondContact O-N 2.86Å; N44-P329 HydrophobicContact CB-CB 3.97Å; N44-P329 HydrophobicContact CB-CG 3.69Å; N44-Y330 WeakPolarHBondContact CB-O 3.1Å; N44-Y330 PolarHBondContact OD1-O 3.49Å; N44-Y330 VanDerWaalsContact OD1-O 3.11Å; N44-N331 HydrophobicContact CB-CB 4.29Å; N44-N331 WeakPolarHBondContact ND2-CB 3.47Å
45Y98.2Very high97.5Very high29 Ų2936.4 Ų36.411%0.11416%0.157CC..THydrogen-bonded Turntrans-75.9-9.5166.6-88.6-67.9000113.1L41 L43 L47 T313 I324 P325 E327 L328 P329 L343L41-Y45 WeakPolarHBondContact O-CB 3.38Å; L41-Y45 WeakPolarHBondContact O-CD2 3.43Å; L41-Y45 PolarHBondContact O-N 2.94Å; L43-Y45 VanDerWaalsContact C-N 3.34Å; L43-Y45 PolarHBondContact O-N 3.4Å; Y45-L47 VanDerWaalsContact C-N 3.27Å; Y45-L47 PolarHBondContact O-N 3.13Å; Y45-T313 HydrophobicContact CD2-CG2 3.6Å; Y45-T313 HydrophobicContact CE2-CG2 3.85Å; Y45-I324 HydrophobicContact CD1-CB 3.89Å; Y45-I324 HydrophobicContact CD1-CD1 4.43Å; Y45-I324 HydrophobicContact CD1-CG2 4.05Å; Y45-I324 HydrophobicContact CD2-CD1 4.48Å; Y45-I324 HydrophobicContact CE1-CB 3.93Å; Y45-I324 HydrophobicContact CE1-CD1 4.34Å; Y45-I324 HydrophobicContact CE2-CD1 4.38Å; Y45-I324 HydrophobicContact CG-CD1 4.5Å; Y45-I324 HydrophobicContact CG-CG2 4.47Å; Y45-P325 HydrophobicContact CE1-CG 3.98Å; Y45-P325 WeakPolarHBondContact CE1-O 3.49Å; Y45-P325 PolarHBondContact OH-O 3.44Å; Y45-E327 PolarHBondContact OH-O 3.16Å; Y45-E327 VanDerWaalsContact OH-O 3.08Å; Y45-L328 HydrophobicContact CE2-CD2 3.99Å; Y45-P329 HydrophobicContact CD1-CG 4.17Å; Y45-P329 HydrophobicContact CD2-CG 3.91Å; Y45-P329 HydrophobicContact CE1-CG 4.32Å; Y45-P329 VanDerWaalsContact CE2-CD 3.45Å; Y45-P329 HydrophobicContact CE2-CG 4.07Å; Y45-P329 HydrophobicContact CG-CG 3.97Å; Y45-L343 HydrophobicContact CE2-CD1 4.31Å
46G97.3Very high97.3Very high6 Ų636.6 Ų36.66%0.06216%0.158CC..THydrogen-bonded Turntrans72.517.6-177.600000114L42 L43 N44 Y48 R49L42-G46 PolarHBondContact O-N 3.35Å; L43-G46 WeakPolarHBondContact O-CA 3.47Å; L43-G46 PolarHBondContact O-N 2.93Å; N44-G46 PolarHBondContact O-N 2.86Å; G46-Y48 VanDerWaalsContact C-N 3.3Å; G46-R49 PolarHBondContact O-NE 2.87Å
47L97Very high97Very high2 Ų234.7 Ų34.71%0.0115%0.153CC..G310 helixtrans-71.2-27.1179.5-68.1175.1000112.1L42 Y45 R49 K50 A317 L320 I324L42-L47 HydrophobicContact CD2-CB 4.4Å; L42-L47 HydrophobicContact CD2-CD1 3.63Å; L42-L47 PolarHBondContact O-N 3.1Å; Y45-L47 VanDerWaalsContact C-N 3.27Å; Y45-L47 PolarHBondContact O-N 3.13Å; L47-R49 PolarHBondContact O-N 2.71Å; L47-K50 PolarHBondContact O-N 3.28Å; L47-A317 HydrophobicContact CD1-CB 3.99Å; L47-A317 HydrophobicContact CD2-CB 4.28Å; L47-L320 HydrophobicContact CB-CD1 4.11Å; L47-L320 HydrophobicContact CD2-CD1 4.08Å; L47-I324 HydrophobicContact CD1-CG2 4.33Å; L47-I324 HydrophobicContact CD2-CG2 3.83Å; L47-I324 HydrophobicContact CG-CG2 4.3Å
48Y94.4Very high97Very high77 Ų7739.1 Ų39.130%0.30217%0.172SC..G310 helixtrans-54.4-33.8175.876.9-85.8000113.1L43 G46 K50 M51L43-Y48 HydrophobicContact CD2-CD1 4Å; L43-Y48 HydrophobicContact CD2-CD2 4.46Å; L43-Y48 HydrophobicContact CD2-CG 3.83Å; L43-Y48 WeakPolarHBondContact O-CD1 3.36Å; L43-Y48 WeakPolarHBondContact O-CE1 3.28Å; G46-Y48 VanDerWaalsContact C-N 3.3Å; Y48-K50 PolarHBondContact O-N 3.46Å; Y48-K50 VanDerWaalsContact O-N 3.1Å; Y48-M51 PolarHBondContact O-N 3.23Å
49R94.4Very high96.9Very high115 Ų11539.1 Ų39.143%0.43417%0.172SC..G310 helixtrans-66.6-12179.2-63-178.4-71.9-171.2-3.9113.9G46 L47 I414 A415G46-R49 PolarHBondContact O-NE 2.87Å; L47-R49 PolarHBondContact O-N 2.71Å; R49-I414 WeakPolarHBondContact O-CG2 3.38Å; R49-A415 HydrophobicContact CB-CB 4.09Å; R49-A415 PolarHBondContact O-N 2.98Å
50K96.3Very high96.9Very high91 Ų9139.8 Ų39.840%0.39618%0.18SC..G310 helixtrans-111.41.6-173-59.9-179.3173.7179.60113.4L47 Y48 L320 S322L47-K50 PolarHBondContact O-N 3.28Å; Y48-K50 PolarHBondContact O-N 3.46Å; Y48-K50 VanDerWaalsContact O-N 3.1Å; K50-L320 HydrophobicContact CB-CD1 4.27Å; K50-L320 HydrophobicContact CB-CD2 4.12Å; K50-L320 VanDerWaalsContact O-CD2 3.29Å; K50-L320 WeakPolarHBondContact O-CD2 3.44Å; K50-S322 WeakPolarHBondContact CD-OG 3.46Å; K50-S322 PolarHBondContact NZ-OG 3Å
51M97.1Very high96.9Very high1 Ų140 Ų401%0.00519%0.185CC..SBendtrans-139.2155.2-179.160.1-171.4-175.100110.6V11 Y13 L42 Y48 I53 T316 L320V11-M51 HydrophobicContact CB-CB 4.15Å; V11-M51 HydrophobicContact CG1-CB 4.25Å; V11-M51 WeakPolarHBondContact O-CA 3.46Å; V11-M51 WeakPolarHBondContact O-CB 3.5Å; Y13-M51 VanDerWaalsContact CB-SD 3.56Å; Y13-M51 HydrophobicContact CD1-CE 3.66Å; Y13-M51 HydrophobicContact CD1-SD 4.49Å; Y13-M51 HydrophobicContact CD2-CE 4.48Å; Y13-M51 HydrophobicContact CE1-CE 4.33Å; Y13-M51 HydrophobicContact CG-CE 3.73Å; Y13-M51 HydrophobicContact CG-SD 4.03Å; L42-M51 HydrophobicContact CD1-CE 4.28Å; Y48-M51 PolarHBondContact O-N 3.23Å; M51-I53 HydrophobicContact CE-CD1 3.98Å; M51-I53 HydrophobicContact CE-CG1 4.18Å; M51-I53 HydrophobicContact CG-CG1 4.21Å; M51-T316 HydrophobicContact CE-CG2 4.39Å; M51-T316 HydrophobicContact SD-CG2 3.87Å; M51-L320 HydrophobicContact CB-CD2 4.07Å; M51-L320 HydrophobicContact SD-CD1 4.3Å
52E97Very high96.7Very high22 Ų2247.8 Ų47.810%0.10322%0.221CC..EExtended strand (participates in β ladder)trans-82.2121.6171.5-62.4-176.6170.300109.1K10 V11 C12 Y13 Y54 I414K10-E52 WeakPolarHBondContact CE-OE1 3.29Å; K10-E52 WeakPolarHBondContact CE-OE2 3.17Å; K10-E52 VanDerWaalsContact NZ-CD 3.34Å; K10-E52 IonicContact NZ-OE1 3.37Å; K10-E52 PolarHBondContact NZ-OE1 2.78Å; K10-E52 IonicContact NZ-OE2 2.59Å; K10-E52 PolarHBondContact NZ-OE2 3.34Å; V11-E52 PolarHBondContact O-N 3.5Å; C12-E52 CarbonylContact C-O 3.58Å; C12-E52 WeakPolarHBondContact CA-O 3.38Å; C12-E52 PolarHBondContact SG-OE2 2.97Å; Y13-E52 PolarHBondContact N-O 3.37Å; E52-Y54 HydrophobicContact CB-CD2 4.18Å; E52-Y54 HydrophobicContact CB-CE2 3.44Å; E52-Y54 VanDerWaalsContact CB-CE2 3.44Å; E52-Y54 HydrophobicContact CG-CE2 4.45Å; E52-Y54 WeakPolarHBondContact OE2-CE2 3.42Å; E52-Y54 PolarHBondContact OE2-OH 3.34Å; E52-I414 HydrophobicContact CG-CD1 3.5Å; E52-I414 VanDerWaalsContact CG-CD1 3.5Å; E52-I414 HydrophobicContact CG-CG1 4.07Å
53I97.4Very high96.6Very high11 Ų1148.2 Ų48.26%0.05622%0.223CC..EExtended strand (participates in β ladder)trans-96.3129.2177.4-58.3-171000109.3Y13 M51 D411Y13-I53 HydrophobicContact CD1-CD1 4.19Å; Y13-I53 HydrophobicContact CD1-CG1 4.02Å; Y13-I53 HydrophobicContact CD1-CG2 4.08Å; Y13-I53 CarbonylContact O-C 3.44Å; Y13-I53 WeakPolarHBondContact O-CA 3.47Å; M51-I53 HydrophobicContact CE-CD1 3.98Å; M51-I53 HydrophobicContact CE-CG1 4.18Å; M51-I53 HydrophobicContact CG-CG1 4.21Å; I53-D411 HydrophobicContact CB-CB 4.13Å; I53-D411 HydrophobicContact CG2-CB 4.39Å; I53-D411 PolarHBondContact N-O 3.36Å; I53-D411 VanDerWaalsContact N-O 3.12Å
54Y96.7Very high96.7Very high15 Ų1545.3 Ų45.36%0.05921%0.208CC..EExtended strand (participates in β ladder)trans-122.3139.6178.5-68.8-88.9000110.6C12 Y13 Y14 Y15 E52 K123C12-Y54 HydrophobicContact CB-CD2 4.12Å; C12-Y54 HydrophobicContact CB-CE2 4.03Å; Y13-Y54 PolarHBondContact O-N 3.24Å; Y14-Y54 WeakPolarHBondContact CA-O 3.29Å; Y14-Y54 HydrophobicContact CE1-CG 4.2Å; Y15-Y54 PolarHBondContact N-O 2.9Å; E52-Y54 HydrophobicContact CB-CD2 4.18Å; E52-Y54 HydrophobicContact CB-CE2 3.44Å; E52-Y54 VanDerWaalsContact CB-CE2 3.44Å; E52-Y54 HydrophobicContact CG-CE2 4.45Å; E52-Y54 WeakPolarHBondContact OE2-CE2 3.42Å; E52-Y54 PolarHBondContact OE2-OH 3.34Å; Y54-K123 WeakPolarHBondContact OH-CE 3.22Å; Y54-K123 PolarHBondContact OH-NZ 3.47Å
55R96.8Very high96.7Very high130 Ų13043.9 Ų43.949%0.49120%0.202SC..PPolyproline II helixtrans-82.3122.4164.3-169.4176.8-180163.48.9108.7Y15 D16 D18Y15-R55 WeakPolarHBondContact O-CA 3.11Å; D16-R55 HydrophobicContact CB-CG 4.46Å; D16-R55 IonicContact OD1-CZ 3.63Å; D16-R55 IonicContact OD1-NE 2.75Å; D16-R55 IonicContact OD1-NH2 2.96Å; D16-R55 PolarHBondContact OD1-NH2 3.09Å; D16-R55 IonicContact OD2-CZ 2.83Å; D16-R55 VanDerWaalsContact OD2-CZ 3.23Å; D16-R55 IonicContact OD2-NE 3.75Å; D16-R55 PolarHBondContact OD2-NE 2.65Å; D16-R55 IonicContact OD2-NH2 3.59Å; D16-R55 PolarHBondContact OD2-NH2 2.94Å; D18-R55 IonicContact OD2-NH2 2.92Å; D18-R55 PolarHBondContact OD2-NH2 3.34Å
56P95.1Very high96.7Very high9 Ų947.5 Ų47.56%0.05822%0.218CC..PPolyproline II helixtrans-68.7146.1178.629.5-34.8000110.9Y14 Y15 D16Y14-P56 HydrophobicContact CD1-CB 4.45Å; Y15-P56 WeakPolarHBondContact O-CD 3.31Å; D16-P56 HydrophobicContact CB-CG 4.08Å
57H93.6Very high96.8Very high45 Ų4548.3 Ų48.321%0.20822%0.219CC..PPolyproline II helixtrans-71154.4166.368.2-76.3000109.9A59 E63 G115H57-A59 PolarHBondContact O-N 3.44Å; H57-E63 IonicContact CE1-OE1 2.93Å; H57-E63 IonicContact NE2-OE1 3.55Å; H57-E63 PolarHBondContact NE2-OE1 2.78Å; H57-E63 IonicContact NE2-OE2 3.67Å; H57-G115 WeakPolarHBondContact O-CA 3.32Å
58K97.9Very high96.9Very high92 Ų9248.4 Ų48.440%0.422%0.22SC..  trans-71.1110.3170.3-73.3-176.5177.1-178.80108.3S60 E108 Q111 L112K58-S60 PolarHBondContact O-N 3.07Å; K58-E108 VanDerWaalsContact NZ-CD 3.35Å; K58-E108 IonicContact NZ-OE1 2.85Å; K58-E108 PolarHBondContact NZ-OE1 3.34Å; K58-E108 IonicContact NZ-OE2 2.6Å; K58-Q111 HydrophobicContact CB-CB 3.91Å; K58-Q111 HydrophobicContact CG-CB 4.27Å; K58-L112 HydrophobicContact CG-CD2 3.97Å
59A97.6Very high97.1Very high0 Ų045.8 Ų45.80%021%0.212CC..  trans-54.8134.2178.500000111.2H57 M64 Q111 T114H57-A59 PolarHBondContact O-N 3.44Å; A59-M64 HydrophobicContact CB-CE 4.09Å; A59-Q111 PolarHBondContact N-O 3.18Å; A59-Q111 VanDerWaalsContact N-O 3.13Å; A59-Q111 VanDerWaalsContact O-CG 3.28Å; A59-Q111 WeakPolarHBondContact O-CG 3.43Å; A59-Q111 PolarHBondContact O-NE2 2.75Å; A59-T114 HydrophobicContact CB-CG2 3.73Å
60S97.8Very high97.3Very high39 Ų3946.1 Ų46.127%0.27322%0.223SC..  trans-75.7160.7179.764.10000111.7K58 E62 E63 M64K58-S60 PolarHBondContact O-N 3.07Å; S60-E62 PolarHBondContact O-N 2.71Å; S60-E63 WeakPolarHBondContact CB-OE2 3.32Å; S60-E63 PolarHBondContact N-OE2 3.27Å; S60-E63 PolarHBondContact O-N 2.82Å; S60-E63 WeakPolarHBondContact OG-CG 3.37Å; S60-E63 PolarHBondContact OG-N 3.35Å; S60-E63 VanDerWaalsContact OG-N 3.13Å; S60-E63 PolarHBondContact OG-OE2 2.94Å; S60-M64 WeakPolarHBondContact O-CG 3.28Å; S60-M64 PolarHBondContact O-N 2.92Å; S60-M64 VanDerWaalsContact O-N 3.12Å
61A97.3Very high97.4Very high25 Ų2544.6 Ų44.621%0.20722%0.219CC..Hα-helixtrans-61.4-30.1171.100000111.9M64 T65 I73A61-M64 PolarHBondContact O-N 3.32Å; A61-T65 WeakPolarHBondContact O-CB 3.34Å; A61-T65 VanDerWaalsContact O-CG2 3.27Å; A61-T65 WeakPolarHBondContact O-CG2 3.21Å; A61-T65 PolarHBondContact O-N 2.8Å; A61-T65 PolarHBondContact O-OG1 2.79Å; A61-I73 HydrophobicContact CB-CG2 3.82Å
62E95.9Very high97.4Very high162 Ų16244.5 Ų44.576%0.75722%0.219SC*.Hα-helixtrans-65.7-41.5176.1-63.5-179.7-177.700111.6S60 T65S60-E62 PolarHBondContact O-N 2.71Å; E62-T65 WeakPolarHBondContact CA-OG1 3.38Å; E62-T65 PolarHBondContact O-OG1 2.84Å
63E96.2Very high97.5Very high10 Ų1043.6 Ų43.65%0.04721%0.214CC..Hα-helixtrans-64.6-45.5173.6-73163105.400111.5H57 S60 T65 K66 L158H57-E63 IonicContact CE1-OE1 2.93Å; H57-E63 IonicContact NE2-OE1 3.55Å; H57-E63 PolarHBondContact NE2-OE1 2.78Å; H57-E63 IonicContact NE2-OE2 3.67Å; S60-E63 WeakPolarHBondContact CB-OE2 3.32Å; S60-E63 PolarHBondContact N-OE2 3.27Å; S60-E63 PolarHBondContact O-N 2.82Å; S60-E63 WeakPolarHBondContact OG-CG 3.37Å; S60-E63 PolarHBondContact OG-N 3.35Å; S60-E63 VanDerWaalsContact OG-N 3.13Å; S60-E63 PolarHBondContact OG-OE2 2.94Å; E63-T65 VanDerWaalsContact C-N 3.34Å; E63-T65 PolarHBondContact O-N 3.34Å; E63-K66 WeakPolarHBondContact O-CB 3.22Å; E63-K66 WeakPolarHBondContact O-CG 3.37Å; E63-K66 PolarHBondContact O-N 3.15Å; E63-L158 WeakPolarHBondContact O-CD2 3.33Å
64M98.5Very high97.6Very high0 Ų049.5 Ų49.50%024%0.239CC..Hα-helixtrans-65.2-35.5-178.7-65.5179179.700113.1A59 S60 A61 K66 Y67 H68 I73 F107 C110 Q111 T114 V153 L158A59-M64 HydrophobicContact CB-CE 4.09Å; S60-M64 WeakPolarHBondContact O-CG 3.28Å; S60-M64 PolarHBondContact O-N 2.92Å; S60-M64 VanDerWaalsContact O-N 3.12Å; A61-M64 PolarHBondContact O-N 3.32Å; M64-K66 PolarHBondContact O-N 3.17Å; M64-Y67 PolarHBondContact O-N 2.93Å; M64-H68 PolarHBondContact O-CD2 3.45Å; M64-H68 PolarHBondContact O-N 3.21Å; M64-H68 VanDerWaalsContact O-N 3.07Å; M64-I73 HydrophobicContact CB-CD1 3.79Å; M64-I73 HydrophobicContact CB-CG1 3.98Å; M64-I73 HydrophobicContact CB-CG2 4.26Å; M64-I73 HydrophobicContact SD-CD1 4.21Å; M64-I73 HydrophobicContact SD-CG2 4.33Å; M64-F107 HydrophobicContact SD-CE2 3.96Å; M64-F107 HydrophobicContact SD-CZ 4.15Å; M64-C110 HydrophobicContact CE-CB 4.27Å; M64-Q111 HydrophobicContact CE-CB 4.18Å; M64-Q111 HydrophobicContact CE-CG 3.67Å; M64-T114 HydrophobicContact CG-CG2 4.48Å; M64-V153 HydrophobicContact CG-CG1 4.13Å; M64-V153 HydrophobicContact SD-CG1 4.37Å; M64-V153 HydrophobicContact SD-CG2 4.04Å; M64-L158 HydrophobicContact CG-CD1 4.5Å
65T98.5Very high97.6Very high41 Ų4148.9 Ų48.925%0.25224%0.237SC..THydrogen-bonded Turntrans-76.9-3.8-179.649.40000113.9A61 E62 E63 Y67 H68 D70 I73A61-T65 WeakPolarHBondContact O-CB 3.34Å; A61-T65 VanDerWaalsContact O-CG2 3.27Å; A61-T65 WeakPolarHBondContact O-CG2 3.21Å; A61-T65 PolarHBondContact O-N 2.8Å; A61-T65 PolarHBondContact O-OG1 2.79Å; E62-T65 WeakPolarHBondContact CA-OG1 3.38Å; E62-T65 PolarHBondContact O-OG1 2.84Å; E63-T65 VanDerWaalsContact C-N 3.34Å; E63-T65 PolarHBondContact O-N 3.34Å; T65-Y67 PolarHBondContact O-N 3.36Å; T65-H68 WeakPolarHBondContact CA-O 3.34Å; T65-D70 WeakPolarHBondContact CG2-OD1 3.38Å; T65-I73 HydrophobicContact CG2-CB 3.92Å; T65-I73 HydrophobicContact CG2-CG1 3.81Å; T65-I73 HydrophobicContact CG2-CG2 4.28Å
66K98.3Very high97.7Very high104 Ų10442.7 Ų42.745%0.45221%0.214SC..THydrogen-bonded Turntrans-58.2-25.9165.6-70178.9175.6172.70112.5E63 M64 L158 E162E63-K66 WeakPolarHBondContact O-CB 3.22Å; E63-K66 WeakPolarHBondContact O-CG 3.37Å; E63-K66 PolarHBondContact O-N 3.15Å; M64-K66 PolarHBondContact O-N 3.17Å; K66-L158 HydrophobicContact CB-CD2 4.08Å; K66-E162 IonicContact NZ-OE2 2.8Å
67Y98.7Very high97.9Very high24 Ų2449.2 Ų49.29%0.09424%0.237CC..THydrogen-bonded Turntrans-118.7-55.3172.5172.7-122.2000112.3M64 T65 K144 N154 V157 A186M64-Y67 PolarHBondContact O-N 2.93Å; T65-Y67 PolarHBondContact O-N 3.36Å; Y67-K144 HydrophobicContact CE1-CB 4.42Å; Y67-K144 HydrophobicContact CE2-CB 4.15Å; Y67-K144 HydrophobicContact CE2-CG 4.46Å; Y67-K144 VanDerWaalsContact O-CE 3.23Å; Y67-K144 WeakPolarHBondContact O-CE 3.3Å; Y67-K144 WeakPolarHBondContact O-CG 3.17Å; Y67-K144 PolarHBondContact OH-N 3.25Å; Y67-N154 HydrophobicContact CD1-CB 4.41Å; Y67-N154 HydrophobicContact CE1-CB 4.17Å; Y67-V157 HydrophobicContact CD1-CB 4.11Å; Y67-V157 HydrophobicContact CD1-CG1 3.75Å; Y67-V157 HydrophobicContact CD2-CG1 3.58Å; Y67-V157 HydrophobicContact CE1-CB 4.32Å; Y67-V157 HydrophobicContact CE1-CG1 4.12Å; Y67-V157 HydrophobicContact CE1-CG2 4.33Å; Y67-V157 HydrophobicContact CE2-CG1 3.98Å; Y67-V157 HydrophobicContact CG-CB 4.31Å; Y67-V157 HydrophobicContact CG-CG1 3.46Å; Y67-V157 VanDerWaalsContact CG-CG1 3.46Å; Y67-A186 HydrophobicContact CE2-CB 3.7Å
68H98.8Very high98.1Very high4 Ų448.5 Ų48.52%0.01924%0.237CC..SBendtrans-72156-172.8-67.3-77.1000112.5M64 T65 Y72 I73 K143 K144 N154M64-H68 PolarHBondContact O-CD2 3.45Å; M64-H68 PolarHBondContact O-N 3.21Å; M64-H68 VanDerWaalsContact O-N 3.07Å; T65-H68 WeakPolarHBondContact CA-O 3.34Å; H68-Y72 HydrophobicContact CB-CD1 4.19Å; H68-Y72 AromaticContact ND1-CD1 3.89Å; H68-Y72 AromaticContact ND1-CE1 3.8Å; H68-I73 HydrophobicContact CB-CD1 3.61Å; H68-I73 HydrophobicContact CB-CG1 3.62Å; H68-K143 PolarHBondContact CE1-O 3.39Å; H68-K143 PolarHBondContact ND1-O 3.06Å; H68-K144 WeakPolarHBondContact CA-O 3.32Å; H68-K144 PolarHBondContact ND1-O 2.88Å; H68-N154 PolarHBondContact CE1-N 2.92Å; H68-N154 PolarHBondContact NE2-N 3.05Å
69S98.6Very high98.1Very high21 Ų2144.6 Ų44.615%0.14722%0.221CC..  trans-68.8145.5174.565.40000112.4D71 Y72 I73 K144 S145S69-D71 VanDerWaalsContact C-N 3.25Å; S69-D71 WeakPolarHBondContact CB-OD1 3.48Å; S69-D71 PolarHBondContact O-N 3.39Å; S69-D71 PolarHBondContact OG-OD1 2.73Å; S69-Y72 PolarHBondContact O-N 2.86Å; S69-Y72 VanDerWaalsContact OG-CB 3.24Å; S69-Y72 WeakPolarHBondContact OG-CB 3.18Å; S69-I73 PolarHBondContact O-N 3.25Å; S69-I73 VanDerWaalsContact O-N 3.1Å; S69-K144 PolarHBondContact N-O 2.9Å; S69-S145 VanDerWaalsContact CB-OG 3.22Å; S69-S145 WeakPolarHBondContact CB-OG 3.36Å; S69-S145 PolarHBondContact OG-OG 3.15Å
70D98.4Very high98Very high122 Ų12250.3 Ų50.365%0.65224%0.242SC*.Hα-helixtrans-56.9-40179.2-60.9-64.3000112.4T65 K74T65-D70 WeakPolarHBondContact CG2-OD1 3.38Å; D70-K74 WeakPolarHBondContact O-CB 3.38Å; D70-K74 PolarHBondContact O-N 3.18Å
71D98.2Very high98Very high59 Ų5950.8 Ų50.832%0.31624%0.244SC..Hα-helixtrans-69.3-34.8-179.166.3-23.6000112.6S69 F75 R93 F94S69-D71 VanDerWaalsContact C-N 3.25Å; S69-D71 WeakPolarHBondContact CB-OD1 3.48Å; S69-D71 PolarHBondContact O-N 3.39Å; S69-D71 PolarHBondContact OG-OD1 2.73Å; D71-F75 WeakPolarHBondContact O-CB 3.27Å; D71-F75 PolarHBondContact O-N 3.34Å; D71-R93 IonicContact OD2-CZ 2.89Å; D71-R93 IonicContact OD2-NH1 3.38Å; D71-R93 PolarHBondContact OD2-NH1 3.15Å; D71-R93 IonicContact OD2-NH2 3.2Å; D71-R93 PolarHBondContact OD2-NH2 3.31Å; D71-F94 HydrophobicContact CB-CZ 4.44Å
72Y98.8Very high97.9Very high0 Ų055 Ų550%026%0.263CS..Hα-helixtrans-70.2-47.6176.6176.6-121.9000111.7H68 S69 K74 F75 L76 F94 A147 Y152H68-Y72 HydrophobicContact CB-CD1 4.19Å; H68-Y72 AromaticContact ND1-CD1 3.89Å; H68-Y72 AromaticContact ND1-CE1 3.8Å; S69-Y72 PolarHBondContact O-N 2.86Å; S69-Y72 VanDerWaalsContact OG-CB 3.24Å; S69-Y72 WeakPolarHBondContact OG-CB 3.18Å; Y72-K74 VanDerWaalsContact C-N 3.32Å; Y72-K74 PolarHBondContact O-N 2.62Å; Y72-F75 HydrophobicContact CD2-CD1 4.34Å; Y72-F75 HydrophobicContact CE2-CD1 4.48Å; Y72-F75 WeakPolarHBondContact O-CB 3.24Å; Y72-F75 PolarHBondContact O-N 3.28Å; Y72-F75 VanDerWaalsContact O-N 3.13Å; Y72-L76 HydrophobicContact CD1-CD1 4.42Å; Y72-L76 HydrophobicContact CD2-CG 4.39Å; Y72-L76 HydrophobicContact CE1-CD1 3.8Å; Y72-L76 HydrophobicContact CE1-CG 4.46Å; Y72-L76 HydrophobicContact CE2-CD1 4.12Å; Y72-L76 HydrophobicContact CE2-CD2 3.99Å; Y72-L76 HydrophobicContact CE2-CG 3.95Å; Y72-L76 PolarHBondContact O-N 3.17Å; Y72-F94 HydrophobicContact CD2-CB 3.84Å; Y72-F94 AromaticContact CD2-CD1 3.7Å; Y72-F94 HydrophobicContact CD2-CD1 3.7Å; Y72-F94 HydrophobicContact CD2-CD2 4.33Å; Y72-F94 HydrophobicContact CD2-CE1 4.24Å; Y72-F94 AromaticContact CD2-CG 3.72Å; Y72-F94 HydrophobicContact CD2-CG 3.72Å; Y72-F94 HydrophobicContact CE2-CB 3.91Å; Y72-F94 HydrophobicContact CE2-CG 4.32Å; Y72-F94 HydrophobicContact CG-CD1 4.42Å; Y72-A147 WeakPolarHBondContact OH-CA 3.42Å; Y72-A147 PolarHBondContact OH-N 2.9Å; Y72-Y152 VanDerWaalsContact CE1-O 3.25Å; Y72-Y152 WeakPolarHBondContact CE1-O 3.25Å; Y72-Y152 WeakPolarHBondContact OH-CA 3.26Å; Y72-Y152 PolarHBondContact OH-O 2.97Å
73I98.7Very high97.9Very high2 Ų247.8 Ų47.81%0.0123%0.23CC..Hα-helixtrans-65-38.2176.7-62-53.8000111.2A61 M64 T65 H68 S69 F75 L76 R77 F107 V153A61-I73 HydrophobicContact CB-CG2 3.82Å; M64-I73 HydrophobicContact CB-CD1 3.79Å; M64-I73 HydrophobicContact CB-CG1 3.98Å; M64-I73 HydrophobicContact CB-CG2 4.26Å; M64-I73 HydrophobicContact SD-CD1 4.21Å; M64-I73 HydrophobicContact SD-CG2 4.33Å; T65-I73 HydrophobicContact CG2-CB 3.92Å; T65-I73 HydrophobicContact CG2-CG1 3.81Å; T65-I73 HydrophobicContact CG2-CG2 4.28Å; H68-I73 HydrophobicContact CB-CD1 3.61Å; H68-I73 HydrophobicContact CB-CG1 3.62Å; S69-I73 PolarHBondContact O-N 3.25Å; S69-I73 VanDerWaalsContact O-N 3.1Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.37Å; I73-L76 HydrophobicContact CD1-CD1 4.32Å; I73-L76 PolarHBondContact O-N 2.84Å; I73-R77 WeakPolarHBondContact O-CB 2.95Å; I73-R77 PolarHBondContact O-N 3.22Å; I73-F107 HydrophobicContact CG2-CE2 4.29Å; I73-V153 HydrophobicContact CD1-CG2 4.16Å
74K98.4Very high97.9Very high135 Ų13550.4 Ų50.459%0.58724%0.243SC*.Hα-helixtrans-62-39.5173.3-175.8177.7-179.9179.30111.8D70 Y72 S78D70-K74 WeakPolarHBondContact O-CB 3.38Å; D70-K74 PolarHBondContact O-N 3.18Å; Y72-K74 VanDerWaalsContact C-N 3.32Å; Y72-K74 PolarHBondContact O-N 2.62Å; K74-S78 WeakPolarHBondContact O-CB 3.42Å; K74-S78 PolarHBondContact O-N 3.23Å; K74-S78 PolarHBondContact O-OG 3.2Å
75F98.6Very high97.7Very high2 Ų255 Ų551%0.00928%0.275CS..Hα-helixtrans-61.9-52.6173.7162.4-101000111.3D71 Y72 I73 R77 S78 I79 Y87 Q90 M91 F94 V96D71-F75 WeakPolarHBondContact O-CB 3.27Å; D71-F75 PolarHBondContact O-N 3.34Å; Y72-F75 HydrophobicContact CD2-CD1 4.34Å; Y72-F75 HydrophobicContact CE2-CD1 4.48Å; Y72-F75 WeakPolarHBondContact O-CB 3.24Å; Y72-F75 PolarHBondContact O-N 3.28Å; Y72-F75 VanDerWaalsContact O-N 3.13Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.37Å; F75-R77 PolarHBondContact O-N 2.89Å; F75-S78 PolarHBondContact O-N 3Å; F75-I79 HydrophobicContact CD2-CB 4.31Å; F75-I79 HydrophobicContact CE1-CG2 4.3Å; F75-I79 HydrophobicContact CE2-CB 3.88Å; F75-I79 HydrophobicContact CE2-CD1 3.97Å; F75-I79 HydrophobicContact CE2-CG1 3.98Å; F75-I79 HydrophobicContact CE2-CG2 4.47Å; F75-I79 HydrophobicContact CZ-CB 4.03Å; F75-I79 HydrophobicContact CZ-CD1 4.31Å; F75-I79 HydrophobicContact CZ-CG1 3.95Å; F75-I79 HydrophobicContact CZ-CG2 4.2Å; F75-I79 WeakPolarHBondContact O-CG2 3.48Å; F75-I79 PolarHBondContact O-N 3.38Å; F75-Y87 AromaticContact CD2-CD1 3.85Å; F75-Y87 HydrophobicContact CD2-CD1 3.85Å; F75-Y87 HydrophobicContact CD2-CE1 4.43Å; F75-Y87 HydrophobicContact CE2-CD1 4.03Å; F75-Y87 HydrophobicContact CE2-CG 4.43Å; F75-Q90 HydrophobicContact CD2-CB 3.73Å; F75-Q90 HydrophobicContact CE2-CB 3.81Å; F75-M91 HydrophobicContact CE2-CG 4.22Å; F75-M91 HydrophobicContact CZ-CG 4Å; F75-F94 HydrophobicContact CB-CD2 3.74Å; F75-F94 HydrophobicContact CB-CE2 3.48Å; F75-F94 VanDerWaalsContact CB-CE2 3.48Å; F75-F94 HydrophobicContact CB-CZ 4.41Å; F75-F94 HydrophobicContact CD1-CB 4.08Å; F75-F94 AromaticContact CD1-CD2 3.37Å; F75-F94 HydrophobicContact CD1-CD2 3.37Å; F75-F94 HydrophobicContact CD1-CE2 4.06Å; F75-F94 HydrophobicContact CD1-CG 4.03Å; F75-F94 AromaticContact CD2-CD2 3.87Å; F75-F94 HydrophobicContact CD2-CD2 3.87Å; F75-F94 HydrophobicContact CD2-CE2 4.17Å; F75-F94 HydrophobicContact CE1-CB 3.96Å; F75-F94 AromaticContact CE1-CD2 3.88Å; F75-F94 HydrophobicContact CE1-CD2 3.88Å; F75-F94 HydrophobicContact CE1-CG 4.36Å; F75-F94 HydrophobicContact CE2-CD2 4.32Å; F75-F94 AromaticContact CG-CD2 3.36Å; F75-F94 HydrophobicContact CG-CD2 3.36Å; F75-F94 AromaticContact CG-CE2 3.64Å; F75-F94 HydrophobicContact CG-CE2 3.64Å; F75-F94 HydrophobicContact CG-CG 4.42Å; F75-F94 HydrophobicContact CZ-CD2 4.33Å; F75-V96 HydrophobicContact CE1-CB 4.04Å; F75-V96 HydrophobicContact CE1-CG1 4.42Å; F75-V96 HydrophobicContact CE1-CG2 3.86Å; F75-V96 HydrophobicContact CZ-CB 4.14Å; F75-V96 HydrophobicContact CZ-CG1 4.37Å; F75-V96 HydrophobicContact CZ-CG2 4.47Å
76L98.4Very high97.6Very high1 Ų160.5 Ų60.51%0.00530%0.298CS..Hα-helixtrans-58.2-36179-67.2-177.1000112.5Y72 I73 S78 V96 L106 F107 Y152 V153Y72-L76 HydrophobicContact CD1-CD1 4.42Å; Y72-L76 HydrophobicContact CD2-CG 4.39Å; Y72-L76 HydrophobicContact CE1-CD1 3.8Å; Y72-L76 HydrophobicContact CE1-CG 4.46Å; Y72-L76 HydrophobicContact CE2-CD1 4.12Å; Y72-L76 HydrophobicContact CE2-CD2 3.99Å; Y72-L76 HydrophobicContact CE2-CG 3.95Å; Y72-L76 PolarHBondContact O-N 3.17Å; I73-L76 HydrophobicContact CD1-CD1 4.32Å; I73-L76 PolarHBondContact O-N 2.84Å; L76-S78 VanDerWaalsContact C-N 3.27Å; L76-S78 PolarHBondContact O-N 2.85Å; L76-V96 HydrophobicContact CD2-CG2 4.42Å; L76-L106 HydrophobicContact CD2-CD2 4.06Å; L76-F107 HydrophobicContact CB-CD2 3.94Å; L76-F107 HydrophobicContact CB-CE2 4.36Å; L76-Y152 HydrophobicContact CD2-CD1 4.29Å; L76-V153 HydrophobicContact CD1-CG2 3.86Å
77R98Very high97.5Very high146 Ų14658 Ų5855%0.55129%0.286SS*.Hα-helixtrans-69.5-24.3175.7-167.2176.472.6-179.92.9113.4I73 F75 F107I73-R77 WeakPolarHBondContact O-CB 2.95Å; I73-R77 PolarHBondContact O-N 3.22Å; F75-R77 PolarHBondContact O-N 2.89Å; R77-F107 HydrophobicContact CB-CD1 4.34Å; R77-F107 HydrophobicContact CB-CD2 4.1Å; R77-F107 HydrophobicContact CB-CE1 4.16Å; R77-F107 HydrophobicContact CB-CE2 3.92Å; R77-F107 HydrophobicContact CB-CG 4.31Å; R77-F107 HydrophobicContact CB-CZ 3.95Å; R77-F107 HydrophobicContact CG-CD1 4.03Å; R77-F107 HydrophobicContact CG-CE1 3.79Å; R77-F107 HydrophobicContact CG-CE2 4.46Å; R77-F107 HydrophobicContact CG-CG 4.47Å; R77-F107 HydrophobicContact CG-CZ 4.02Å
78S97.9Very high97.3Very high30 Ų3060.1 Ų60.121%0.2131%0.305CS..Hα-helixtrans-101.2-32.8-172.7-52.80000113.1K74 F75 L76 R80 N83K74-S78 WeakPolarHBondContact O-CB 3.42Å; K74-S78 PolarHBondContact O-N 3.23Å; K74-S78 PolarHBondContact O-OG 3.2Å; F75-S78 PolarHBondContact O-N 3Å; L76-S78 VanDerWaalsContact C-N 3.27Å; L76-S78 PolarHBondContact O-N 2.85Å; S78-R80 PolarHBondContact O-NH1 2.87Å; S78-N83 PolarHBondContact O-ND2 3.37Å
79I97.8Very high97.2Very high9 Ų968.5 Ų68.55%0.04634%0.341CS..  trans-67.6134.8-176.9-169.964000110.9F75 Y87 M91 V102F75-I79 HydrophobicContact CD2-CB 4.31Å; F75-I79 HydrophobicContact CE1-CG2 4.3Å; F75-I79 HydrophobicContact CE2-CB 3.88Å; F75-I79 HydrophobicContact CE2-CD1 3.97Å; F75-I79 HydrophobicContact CE2-CG1 3.98Å; F75-I79 HydrophobicContact CE2-CG2 4.47Å; F75-I79 HydrophobicContact CZ-CB 4.03Å; F75-I79 HydrophobicContact CZ-CD1 4.31Å; F75-I79 HydrophobicContact CZ-CG1 3.95Å; F75-I79 HydrophobicContact CZ-CG2 4.2Å; F75-I79 WeakPolarHBondContact O-CG2 3.48Å; F75-I79 PolarHBondContact O-N 3.38Å; I79-Y87 HydrophobicContact CD1-CD2 4.12Å; I79-Y87 HydrophobicContact CD1-CG 3.86Å; I79-M91 HydrophobicContact CD1-CG 4.23Å; I79-M91 HydrophobicContact CD1-SD 4.25Å; I79-V102 HydrophobicContact CD1-CG2 4.39Å; I79-V102 HydrophobicContact CG1-CG1 3.94Å; I79-V102 HydrophobicContact CG1-CG2 3.76Å
80R96.8Very high97.1Very high121 Ų12171.1 Ų71.146%0.45735%0.351SS..  trans-150.5161178.7-71.1-171.9-51-87.22.7109.2S78 D82 N83 M84S78-R80 PolarHBondContact O-NH1 2.87Å; R80-D82 WeakPolarHBondContact CB-OD1 3.48Å; R80-D82 IonicContact CZ-OD1 3.75Å; R80-D82 IonicContact CZ-OD2 3.72Å; R80-D82 IonicContact NE-OD1 3.64Å; R80-D82 PolarHBondContact NE-OD1 3.3Å; R80-D82 IonicContact NE-OD2 3.97Å; R80-D82 PolarHBondContact NE-OD2 2.93Å; R80-D82 IonicContact NH2-OD1 2.77Å; R80-D82 IonicContact NH2-OD2 2.74Å; R80-D82 PolarHBondContact NH2-OD2 2.82Å; R80-D82 VanDerWaalsContact NH2-OD2 3.1Å; R80-D82 PolarHBondContact O-N 3.47Å; R80-N83 PolarHBondContact N-OD1 3.18Å; R80-N83 PolarHBondContact NH2-ND2 2.88Å; R80-N83 PolarHBondContact O-N 3.42Å; R80-N83 PolarHBondContact O-OD1 3.5Å; R80-M84 WeakPolarHBondContact O-CG 3.47Å; R80-M84 PolarHBondContact O-N 3.44Å
81P96.4Very high97Very high49 Ų4966.4 Ų66.432%0.31833%0.325SS..G310 helixtrans-56.8-32.4178-28.938.3000114.2N83 V102 D104P81-N83 VanDerWaalsContact C-N 3.34Å; P81-N83 PolarHBondContact O-N 2.86Å; P81-V102 HydrophobicContact CG-CG1 4.2Å; P81-D104 WeakPolarHBondContact CD-OD1 3.39Å; P81-D104 WeakPolarHBondContact CG-OD1 3.4Å
82D96.2Very high97Very high113 Ų11371.7 Ų71.760%0.60435%0.348SS*.G310 helixtrans-68.6-27.1-179.566-26000114R80R80-D82 WeakPolarHBondContact CB-OD1 3.48Å; R80-D82 IonicContact CZ-OD1 3.75Å; R80-D82 IonicContact CZ-OD2 3.72Å; R80-D82 IonicContact NE-OD1 3.64Å; R80-D82 PolarHBondContact NE-OD1 3.3Å; R80-D82 IonicContact NE-OD2 3.97Å; R80-D82 PolarHBondContact NE-OD2 2.93Å; R80-D82 IonicContact NH2-OD1 2.77Å; R80-D82 IonicContact NH2-OD2 2.74Å; R80-D82 PolarHBondContact NH2-OD2 2.82Å; R80-D82 VanDerWaalsContact NH2-OD2 3.1Å; R80-D82 PolarHBondContact O-N 3.47Å
83N96.6Very high96.9Very high11 Ų1178.9 Ų78.96%0.05938%0.375CS..G310 helixtrans-115.110.1-172.968.421.6000114.4S78 R80 P81 S85 E86 Y87S78-N83 PolarHBondContact O-ND2 3.37Å; R80-N83 PolarHBondContact N-OD1 3.18Å; R80-N83 PolarHBondContact NH2-ND2 2.88Å; R80-N83 PolarHBondContact O-N 3.42Å; R80-N83 PolarHBondContact O-OD1 3.5Å; P81-N83 VanDerWaalsContact C-N 3.34Å; P81-N83 PolarHBondContact O-N 2.86Å; N83-S85 PolarHBondContact O-N 3.48Å; N83-S85 VanDerWaalsContact O-N 3.12Å; N83-E86 WeakPolarHBondContact O-CB 2.9Å; N83-E86 PolarHBondContact O-N 2.9Å; N83-Y87 HydrophobicContact CB-CD2 4.25Å; N83-Y87 HydrophobicContact CB-CE2 4.27Å; N83-Y87 WeakPolarHBondContact O-CD2 3.42Å; N83-Y87 PolarHBondContact O-N 2.98Å
84M95.1Very high96.9Very high64 Ų6478.9 Ų78.932%0.31538%0.375SS..THydrogen-bonded Turntrans-53.4-37.4-176.6-67.4176.369.500114.1R80 E86 Y87 S88 M91 V102R80-M84 WeakPolarHBondContact O-CG 3.47Å; R80-M84 PolarHBondContact O-N 3.44Å; M84-E86 VanDerWaalsContact C-N 3.3Å; M84-E86 PolarHBondContact O-N 2.98Å; M84-Y87 PolarHBondContact O-N 3.31Å; M84-S88 PolarHBondContact O-N 3.08Å; M84-M91 HydrophobicContact CB-SD 4.09Å; M84-M91 HydrophobicContact CE-CE 3.6Å; M84-M91 HydrophobicContact CE-SD 4.35Å; M84-M91 HydrophobicContact CG-SD 4.43Å; M84-V102 HydrophobicContact CE-CB 4.01Å; M84-V102 HydrophobicContact CE-CG2 4.05Å; M84-V102 HydrophobicContact CG-CB 4.23Å; M84-V102 HydrophobicContact CG-CG1 4.16Å; M84-V102 HydrophobicContact CG-CG2 4.32Å; M84-V102 HydrophobicContact SD-CB 3.97Å; M84-V102 HydrophobicContact SD-CG1 4.29Å; M84-V102 HydrophobicContact SD-CG2 4.45Å
85S94.9Very high96.9Very high96 Ų9676.2 Ų76.267%0.67137%0.367SS*.THydrogen-bonded Turntrans-62.9-36.3-179.756.50000112.6N83 Y87 S88N83-S85 PolarHBondContact O-N 3.48Å; N83-S85 VanDerWaalsContact O-N 3.12Å; S85-Y87 VanDerWaalsContact C-N 3.32Å; S85-S88 PolarHBondContact O-OG 2.98Å
86E96.6Very high96.8Very high157 Ų15776.4 Ų76.473%0.73437%0.368SS*.THydrogen-bonded Turntrans-71.3-29.1178.3-58.9179.6-169.600112N83 M84N83-E86 WeakPolarHBondContact O-CB 2.9Å; N83-E86 PolarHBondContact O-N 2.9Å; M84-E86 VanDerWaalsContact C-N 3.3Å; M84-E86 PolarHBondContact O-N 2.98Å
87Y96.4Very high96.6Very high52 Ų5277.8 Ų77.820%0.20438%0.383CS..THydrogen-bonded Turntrans-99.66.2-175.9-76.4-89.6000114.6F75 I79 N83 M84 S85 K89 Q90 M91F75-Y87 AromaticContact CD2-CD1 3.85Å; F75-Y87 HydrophobicContact CD2-CD1 3.85Å; F75-Y87 HydrophobicContact CD2-CE1 4.43Å; F75-Y87 HydrophobicContact CE2-CD1 4.03Å; F75-Y87 HydrophobicContact CE2-CG 4.43Å; I79-Y87 HydrophobicContact CD1-CD2 4.12Å; I79-Y87 HydrophobicContact CD1-CG 3.86Å; N83-Y87 HydrophobicContact CB-CD2 4.25Å; N83-Y87 HydrophobicContact CB-CE2 4.27Å; N83-Y87 WeakPolarHBondContact O-CD2 3.42Å; N83-Y87 PolarHBondContact O-N 2.98Å; M84-Y87 PolarHBondContact O-N 3.31Å; S85-Y87 VanDerWaalsContact C-N 3.32Å; Y87-K89 VanDerWaalsContact C-N 3.27Å; Y87-K89 PolarHBondContact O-N 2.95Å; Y87-Q90 HydrophobicContact CD1-CB 4.37Å; Y87-Q90 WeakPolarHBondContact O-CA 3.39Å; Y87-Q90 PolarHBondContact O-N 3.48Å; Y87-M91 PolarHBondContact O-N 3.08Å
88S94.6Very high96.2Very high69 Ų6979.4 Ų79.448%0.48340%0.397SS..Hα-helixtrans-44.4-44.1-177.453.50000115.1M84 S85 Q92M84-S88 PolarHBondContact O-N 3.08Å; S85-S88 PolarHBondContact O-OG 2.98Å; S88-Q92 PolarHBondContact O-N 3.28Å
89K95.8Very high95.9Very high179 Ų17983.2 Ų83.278%0.77842%0.415SS*.Hα-helixtrans-66.4-39.4177-69.3-176.3-179.8177.80113.3Y87 R93Y87-K89 VanDerWaalsContact C-N 3.27Å; Y87-K89 PolarHBondContact O-N 2.95Å; K89-R93 PolarHBondContact O-N 3.41Å
90Q96.3Very high95.9Very high77 Ų7782.9 Ų82.936%0.3641%0.413SS..Hα-helixtrans-74.7-37.4178.9-69-177.445.600111F75 Y87 Q92 R93 F94F75-Q90 HydrophobicContact CD2-CB 3.73Å; F75-Q90 HydrophobicContact CE2-CB 3.81Å; Y87-Q90 HydrophobicContact CD1-CB 4.37Å; Y87-Q90 WeakPolarHBondContact O-CA 3.39Å; Y87-Q90 PolarHBondContact O-N 3.48Å; Q90-Q92 VanDerWaalsContact C-N 3.33Å; Q90-Q92 PolarHBondContact O-N 2.9Å; Q90-R93 PolarHBondContact O-N 2.91Å; Q90-R93 VanDerWaalsContact O-N 3.13Å; Q90-F94 HydrophobicContact CB-CD2 3.95Å; Q90-F94 HydrophobicContact CB-CE2 4Å; Q90-F94 HydrophobicContact CG-CE2 4.3Å; Q90-F94 WeakPolarHBondContact O-CB 3.32Å; Q90-F94 WeakPolarHBondContact O-CD2 3.48Å; Q90-F94 WeakPolarHBondContact O-CG 3.46Å; Q90-F94 PolarHBondContact O-N 3.49Å
91M97.6Very high96Very high23 Ų2378 Ų7811%0.11340%0.397CS..Hα-helixtrans-54.3-47.8172.4-78.9-179.468.700111.9F75 I79 M84 Y87 N95 V96 V102F75-M91 HydrophobicContact CE2-CG 4.22Å; F75-M91 HydrophobicContact CZ-CG 4Å; I79-M91 HydrophobicContact CD1-CG 4.23Å; I79-M91 HydrophobicContact CD1-SD 4.25Å; M84-M91 HydrophobicContact CB-SD 4.09Å; M84-M91 HydrophobicContact CE-CE 3.6Å; M84-M91 HydrophobicContact CE-SD 4.35Å; M84-M91 HydrophobicContact CG-SD 4.43Å; Y87-M91 PolarHBondContact O-N 3.08Å; M91-N95 PolarHBondContact O-N 2.95Å; M91-V96 CarbonylContact C-O 3.49Å; M91-V96 VanDerWaalsContact CB-O 3.22Å; M91-V96 WeakPolarHBondContact CB-O 3.33Å; M91-V96 VanDerWaalsContact CE-O 3.25Å; M91-V96 WeakPolarHBondContact CE-O 3.5Å; M91-V96 PolarHBondContact O-N 3.37Å; M91-V102 HydrophobicContact CE-CG2 3.99Å
92Q96.9Very high96.1Very high170 Ų17076.5 Ų76.579%0.79439%0.387SS*.Hα-helixtrans-64.3-43174.8-171.7-179.322.600112.3S88 Q90 F94S88-Q92 PolarHBondContact O-N 3.28Å; Q90-Q92 VanDerWaalsContact C-N 3.33Å; Q90-Q92 PolarHBondContact O-N 2.9Å; Q92-F94 VanDerWaalsContact C-N 3.33Å; Q92-F94 PolarHBondContact O-N 2.84Å
93R97.6Very high96.1Very high150 Ų15071.7 Ų71.757%0.56636%0.361SS*.Hα-helixtrans-63.7-38.1-179.6178.4179.9175.6-145.1-9112.8D71 K89 Q90D71-R93 IonicContact OD2-CZ 2.89Å; D71-R93 IonicContact OD2-NH1 3.38Å; D71-R93 PolarHBondContact OD2-NH1 3.15Å; D71-R93 IonicContact OD2-NH2 3.2Å; D71-R93 PolarHBondContact OD2-NH2 3.31Å; K89-R93 PolarHBondContact O-N 3.41Å; Q90-R93 PolarHBondContact O-N 2.91Å; Q90-R93 VanDerWaalsContact O-N 3.13Å
94F98.3Very high96.2Very high2 Ų277.2 Ų77.21%0.00939%0.39CS..THydrogen-bonded Turntrans-100.58.1-174.2-61.6-46000113D71 Y72 F75 Q90 Q92 V96 S145 E146 A147D71-F94 HydrophobicContact CB-CZ 4.44Å; Y72-F94 HydrophobicContact CD2-CB 3.84Å; Y72-F94 AromaticContact CD2-CD1 3.7Å; Y72-F94 HydrophobicContact CD2-CD1 3.7Å; Y72-F94 HydrophobicContact CD2-CD2 4.33Å; Y72-F94 HydrophobicContact CD2-CE1 4.24Å; Y72-F94 AromaticContact CD2-CG 3.72Å; Y72-F94 HydrophobicContact CD2-CG 3.72Å; Y72-F94 HydrophobicContact CE2-CB 3.91Å; Y72-F94 HydrophobicContact CE2-CG 4.32Å; Y72-F94 HydrophobicContact CG-CD1 4.42Å; F75-F94 HydrophobicContact CB-CD2 3.74Å; F75-F94 HydrophobicContact CB-CE2 3.48Å; F75-F94 VanDerWaalsContact CB-CE2 3.48Å; F75-F94 HydrophobicContact CB-CZ 4.41Å; F75-F94 HydrophobicContact CD1-CB 4.08Å; F75-F94 AromaticContact CD1-CD2 3.37Å; F75-F94 HydrophobicContact CD1-CD2 3.37Å; F75-F94 HydrophobicContact CD1-CE2 4.06Å; F75-F94 HydrophobicContact CD1-CG 4.03Å; F75-F94 AromaticContact CD2-CD2 3.87Å; F75-F94 HydrophobicContact CD2-CD2 3.87Å; F75-F94 HydrophobicContact CD2-CE2 4.17Å; F75-F94 HydrophobicContact CE1-CB 3.96Å; F75-F94 AromaticContact CE1-CD2 3.88Å; F75-F94 HydrophobicContact CE1-CD2 3.88Å; F75-F94 HydrophobicContact CE1-CG 4.36Å; F75-F94 HydrophobicContact CE2-CD2 4.32Å; F75-F94 AromaticContact CG-CD2 3.36Å; F75-F94 HydrophobicContact CG-CD2 3.36Å; F75-F94 AromaticContact CG-CE2 3.64Å; F75-F94 HydrophobicContact CG-CE2 3.64Å; F75-F94 HydrophobicContact CG-CG 4.42Å; F75-F94 HydrophobicContact CZ-CD2 4.33Å; Q90-F94 HydrophobicContact CB-CD2 3.95Å; Q90-F94 HydrophobicContact CB-CE2 4Å; Q90-F94 HydrophobicContact CG-CE2 4.3Å; Q90-F94 WeakPolarHBondContact O-CB 3.32Å; Q90-F94 WeakPolarHBondContact O-CD2 3.48Å; Q90-F94 WeakPolarHBondContact O-CG 3.46Å; Q90-F94 PolarHBondContact O-N 3.49Å; Q92-F94 VanDerWaalsContact C-N 3.33Å; Q92-F94 PolarHBondContact O-N 2.84Å; F94-V96 VanDerWaalsContact C-N 3.34Å; F94-V96 PolarHBondContact O-N 2.59Å; F94-S145 VanDerWaalsContact CD1-O 3.22Å; F94-S145 WeakPolarHBondContact CD1-O 3.13Å; F94-E146 WeakPolarHBondContact O-CA 3.42Å; F94-A147 PolarHBondContact O-N 3.19Å
95N97.9Very high96.3Very high80 Ų8075.6 Ų75.643%0.42839%0.39SS..THydrogen-bonded Turntrans54.943.5178.5-165.640.2000114M91 E146 A147M91-N95 PolarHBondContact O-N 2.95Å; N95-E146 HydrophobicContact CB-CB 4.2Å; N95-A147 WeakPolarHBondContact CB-O 3.46Å; N95-A147 PolarHBondContact ND2-O 3.39Å
96V97.4Very high96.5Very high5 Ų571.2 Ų71.23%0.0336%0.36CS..  trans-114.8123177.4174.60000109.4F75 L76 M91 F94 C100 V102 A147 Y152F75-V96 HydrophobicContact CE1-CB 4.04Å; F75-V96 HydrophobicContact CE1-CG1 4.42Å; F75-V96 HydrophobicContact CE1-CG2 3.86Å; F75-V96 HydrophobicContact CZ-CB 4.14Å; F75-V96 HydrophobicContact CZ-CG1 4.37Å; F75-V96 HydrophobicContact CZ-CG2 4.47Å; L76-V96 HydrophobicContact CD2-CG2 4.42Å; M91-V96 CarbonylContact C-O 3.49Å; M91-V96 VanDerWaalsContact CB-O 3.22Å; M91-V96 WeakPolarHBondContact CB-O 3.33Å; M91-V96 VanDerWaalsContact CE-O 3.25Å; M91-V96 WeakPolarHBondContact CE-O 3.5Å; M91-V96 PolarHBondContact O-N 3.37Å; F94-V96 VanDerWaalsContact C-N 3.34Å; F94-V96 PolarHBondContact O-N 2.59Å; V96-C100 CarbonylContact C-O 3.59Å; V96-C100 WeakPolarHBondContact CA-O 3.33Å; V96-C100 WeakPolarHBondContact CG1-O 3.47Å; V96-V102 HydrophobicContact CG1-CG2 3.57Å; V96-A147 HydrophobicContact CG2-CB 3.71Å; V96-Y152 HydrophobicContact CG1-CE1 4.47Å; V96-Y152 HydrophobicContact CG2-CD1 4.22Å; V96-Y152 HydrophobicContact CG2-CE1 4.28Å
97G93.3Very high96.5Very high30 Ų3065.2 Ų65.231%0.30933%0.331SS..SBendtrans156.6-59.7176.500000113.6C100G97-C100 PolarHBondContact N-O 3.09Å
98E90.1Very high96.6Very high181 Ų18166.3 Ų66.385%0.84634%0.338SS*.SBendtrans-81.8-94.8-175.7-63.2-176.2173.900111.1C100E98-C100 PolarHBondContact O-N 3.37Å
99D91.9Very high96.8Very high109 Ų10963.3 Ų63.358%0.58332%0.316SS*.SBendtrans-65.3-28.6179.2-71.5-11.8000111.9H28 P101 F150H28-D99 PolarHBondContact NE2-O 3.11Å; H28-D99 VanDerWaalsContact NE2-O 3.11Å; D99-P101 VanDerWaalsContact C-CD 3.46Å; D99-P101 WeakPolarHBondContact O-CD 3.26Å; D99-F150 HydrophobicContact CB-CE1 4.33Å; D99-F150 WeakPolarHBondContact O-CD1 3.37Å
100C97.6Very high97Very high2 Ų254.9 Ų54.91%0.01428%0.28CS..SBendtrans-109.279.4174.8-62.60000109.6V96 G97 E98 A147 F150 Y152V96-C100 CarbonylContact C-O 3.59Å; V96-C100 WeakPolarHBondContact CA-O 3.33Å; V96-C100 WeakPolarHBondContact CG1-O 3.47Å; G97-C100 PolarHBondContact N-O 3.09Å; E98-C100 PolarHBondContact O-N 3.37Å; C100-A147 HydrophobicContact CB-CB 3.91Å; C100-F150 PolarHBondContact SG-N 3.4Å; C100-F150 VanDerWaalsContact SG-N 3.36Å; C100-Y152 WeakPolarHBondContact CA-OH 3.39Å; C100-Y152 HydrophobicContact CB-CD1 4.45Å; C100-Y152 HydrophobicContact CB-CE1 3.64Å
101P98Very high97.1Very high19 Ų1952.6 Ų52.612%0.12327%0.269CS..  trans-70.5154.7-17129-37.1000113.5Y24 D99 F103 L106 Y152Y24-P101 HydrophobicContact CD1-CG 4.18Å; Y24-P101 WeakPolarHBondContact O-CG 3.26Å; D99-P101 VanDerWaalsContact C-CD 3.46Å; D99-P101 WeakPolarHBondContact O-CD 3.26Å; P101-F103 WeakPolarHBondContact O-CD1 3.45Å; P101-L106 WeakPolarHBondContact O-CD1 3.41Å; P101-Y152 WeakPolarHBondContact CD-OH 3.42Å; P101-Y152 VanDerWaalsContact N-OH 3.16Å; P101-Y152 PolarHBondContact O-OH 3.49Å
102V98.2Very high97.1Very high18 Ų1851.7 Ų51.711%0.10927%0.265CS..  trans-80.6127.4166.2-1770000108.7I79 P81 M84 M91 V96I79-V102 HydrophobicContact CD1-CG2 4.39Å; I79-V102 HydrophobicContact CG1-CG1 3.94Å; I79-V102 HydrophobicContact CG1-CG2 3.76Å; P81-V102 HydrophobicContact CG-CG1 4.2Å; M84-V102 HydrophobicContact CE-CB 4.01Å; M84-V102 HydrophobicContact CE-CG2 4.05Å; M84-V102 HydrophobicContact CG-CB 4.23Å; M84-V102 HydrophobicContact CG-CG1 4.16Å; M84-V102 HydrophobicContact CG-CG2 4.32Å; M84-V102 HydrophobicContact SD-CB 3.97Å; M84-V102 HydrophobicContact SD-CG1 4.29Å; M84-V102 HydrophobicContact SD-CG2 4.45Å; M91-V102 HydrophobicContact CE-CG2 3.99Å; V96-V102 HydrophobicContact CG1-CG2 3.57Å
103F97.9Very high97.2Very high12 Ų1243.6 Ų43.65%0.05323%0.227CC..  trans-140.7160.9176.360.7-92.4000111.9Y22 Y23 Y24 P101 G105 L106 F109 Y152Y22-F103 HydrophobicContact CD1-CE2 4.5Å; Y23-F103 VanDerWaalsContact O-CB 3.24Å; Y23-F103 WeakPolarHBondContact O-CB 3.48Å; Y23-F103 WeakPolarHBondContact O-CG 3.49Å; Y24-F103 HydrophobicContact CD1-CE1 4.12Å; Y24-F103 AromaticContact CD2-CE1 3.91Å; Y24-F103 HydrophobicContact CD2-CE1 3.91Å; Y24-F103 AromaticContact CD2-CZ 4Å; Y24-F103 HydrophobicContact CD2-CZ 4Å; Y24-F103 HydrophobicContact CE1-CE1 4.15Å; Y24-F103 AromaticContact CE2-CE1 3.91Å; Y24-F103 HydrophobicContact CE2-CE1 3.91Å; Y24-F103 AromaticContact CE2-CZ 3.76Å; Y24-F103 HydrophobicContact CE2-CZ 3.76Å; Y24-F103 HydrophobicContact CG-CD1 4.35Å; Y24-F103 HydrophobicContact CG-CE1 4.01Å; P101-F103 WeakPolarHBondContact O-CD1 3.45Å; F103-G105 PolarHBondContact O-N 3.06Å; F103-L106 HydrophobicContact CD1-CB 4.3Å; F103-L106 HydrophobicContact CD1-CD1 4.01Å; F103-L106 HydrophobicContact CD1-CG 4.49Å; F103-L106 HydrophobicContact CD2-CB 4.14Å; F103-L106 HydrophobicContact CE1-CB 4.12Å; F103-L106 HydrophobicContact CE1-CD1 3.83Å; F103-L106 HydrophobicContact CE1-CG 4.03Å; F103-L106 VanDerWaalsContact CE2-CA 3.48Å; F103-L106 HydrophobicContact CE2-CB 3.95Å; F103-L106 HydrophobicContact CG-CB 4.3Å; F103-L106 HydrophobicContact CZ-CB 3.94Å; F103-L106 HydrophobicContact CZ-CD1 4.4Å; F103-L106 HydrophobicContact CZ-CG 4.09Å; F103-L106 VanDerWaalsContact O-CB 3.31Å; F103-L106 WeakPolarHBondContact O-CB 3.41Å; F103-L106 PolarHBondContact O-N 3.37Å; F103-L106 VanDerWaalsContact O-N 3.16Å; F103-F109 HydrophobicContact CE2-CB 4.29Å; F103-F109 HydrophobicContact CZ-CB 4.37Å; F103-F109 HydrophobicContact CZ-CD1 4.27Å; F103-F109 HydrophobicContact CZ-CG 4.35Å; F103-Y152 HydrophobicContact CE1-CE2 4.11Å
104D97.8Very high97.2Very high126 Ų12636.5 Ų36.567%0.67420%0.2SC*.THydrogen-bonded Turntrans-62.3126.7179.4-71.7-38.5000111.2P81P81-D104 WeakPolarHBondContact CD-OD1 3.39Å; P81-D104 WeakPolarHBondContact CG-OD1 3.4Å
105G97.3Very high97.3Very high31 Ų3136.4 Ų36.432%0.3220%0.2SC..THydrogen-bonded Turntrans78.513.8-178.200000115.1Y22 F103 F107 E108 F109Y22-G105 VanDerWaalsContact CE1-O 3.28Å; Y22-G105 WeakPolarHBondContact CE1-O 3.34Å; F103-G105 PolarHBondContact O-N 3.06Å; G105-F107 VanDerWaalsContact C-N 3.3Å; G105-F107 PolarHBondContact O-N 3.18Å; G105-E108 PolarHBondContact O-N 3.14Å; G105-E108 VanDerWaalsContact O-N 3.07Å; G105-F109 PolarHBondContact O-N 3.45Å
106L98.2Very high97.3Very high4 Ų432.6 Ų32.62%0.02118%0.179CC..Hα-helixtrans-49.1-46.9177.4177152000113.4L76 P101 F103 F109 C110 Y152L76-L106 HydrophobicContact CD2-CD2 4.06Å; P101-L106 WeakPolarHBondContact O-CD1 3.41Å; F103-L106 HydrophobicContact CD1-CB 4.3Å; F103-L106 HydrophobicContact CD1-CD1 4.01Å; F103-L106 HydrophobicContact CD1-CG 4.49Å; F103-L106 HydrophobicContact CD2-CB 4.14Å; F103-L106 HydrophobicContact CE1-CB 4.12Å; F103-L106 HydrophobicContact CE1-CD1 3.83Å; F103-L106 HydrophobicContact CE1-CG 4.03Å; F103-L106 VanDerWaalsContact CE2-CA 3.48Å; F103-L106 HydrophobicContact CE2-CB 3.95Å; F103-L106 HydrophobicContact CG-CB 4.3Å; F103-L106 HydrophobicContact CZ-CB 3.94Å; F103-L106 HydrophobicContact CZ-CD1 4.4Å; F103-L106 HydrophobicContact CZ-CG 4.09Å; F103-L106 VanDerWaalsContact O-CB 3.31Å; F103-L106 WeakPolarHBondContact O-CB 3.41Å; F103-L106 PolarHBondContact O-N 3.37Å; F103-L106 VanDerWaalsContact O-N 3.16Å; L106-F109 WeakPolarHBondContact O-CB 3.31Å; L106-F109 PolarHBondContact O-N 3.22Å; L106-C110 PolarHBondContact O-N 3.47Å; L106-C110 VanDerWaalsContact O-N 3.15Å; L106-C110 PolarHBondContact O-SG 2.98Å; L106-Y152 HydrophobicContact CD1-CD1 4.12Å; L106-Y152 HydrophobicContact CD1-CE1 3.64Å; L106-Y152 HydrophobicContact CD1-CE2 4.32Å; L106-Y152 HydrophobicContact CD2-CD1 4.42Å; L106-Y152 HydrophobicContact CG-CE1 4.46Å
107F98.5Very high97.4Very high30 Ų3032.3 Ų32.313%0.13218%0.178CC..Hα-helixtrans-64.6-43.2-180-169.9-111.4000111.4M64 I73 L76 R77 G105 F109 C110 Q111M64-F107 HydrophobicContact SD-CE2 3.96Å; M64-F107 HydrophobicContact SD-CZ 4.15Å; I73-F107 HydrophobicContact CG2-CE2 4.29Å; L76-F107 HydrophobicContact CB-CD2 3.94Å; L76-F107 HydrophobicContact CB-CE2 4.36Å; R77-F107 HydrophobicContact CB-CD1 4.34Å; R77-F107 HydrophobicContact CB-CD2 4.1Å; R77-F107 HydrophobicContact CB-CE1 4.16Å; R77-F107 HydrophobicContact CB-CE2 3.92Å; R77-F107 HydrophobicContact CB-CG 4.31Å; R77-F107 HydrophobicContact CB-CZ 3.95Å; R77-F107 HydrophobicContact CG-CD1 4.03Å; R77-F107 HydrophobicContact CG-CE1 3.79Å; R77-F107 HydrophobicContact CG-CE2 4.46Å; R77-F107 HydrophobicContact CG-CG 4.47Å; R77-F107 HydrophobicContact CG-CZ 4.02Å; G105-F107 VanDerWaalsContact C-N 3.3Å; G105-F107 PolarHBondContact O-N 3.18Å; F107-F109 VanDerWaalsContact C-N 3.34Å; F107-F109 PolarHBondContact O-N 3.33Å; F107-C110 WeakPolarHBondContact O-CA 3.18Å; F107-C110 VanDerWaalsContact O-CB 3.31Å; F107-C110 WeakPolarHBondContact O-CB 3.23Å; F107-C110 PolarHBondContact O-N 2.71Å; F107-C110 VanDerWaalsContact O-N 3.09Å; F107-Q111 HydrophobicContact CD1-CG 3.99Å; F107-Q111 VanDerWaalsContact CE1-CD 3.48Å; F107-Q111 HydrophobicContact CE1-CG 3.8Å; F107-Q111 HydrophobicContact CZ-CG 4.25Å; F107-Q111 VanDerWaalsContact O-CG 3.32Å; F107-Q111 WeakPolarHBondContact O-CG 3.4Å; F107-Q111 PolarHBondContact O-N 3.42Å
108E98.4Very high97.6Very high75 Ų7531.1 Ų31.135%0.3517%0.165SC..Hα-helixtrans-63.7-39.1178.4-57.3-164138.100112.5Y22 K58 G105 C110 Q111 L112Y22-E108 HydrophobicContact CE1-CB 4.03Å; Y22-E108 WeakPolarHBondContact OH-CB 3.42Å; Y22-E108 PolarHBondContact OH-OE2 3.26Å; K58-E108 VanDerWaalsContact NZ-CD 3.35Å; K58-E108 IonicContact NZ-OE1 2.85Å; K58-E108 PolarHBondContact NZ-OE1 3.34Å; K58-E108 IonicContact NZ-OE2 2.6Å; G105-E108 PolarHBondContact O-N 3.14Å; G105-E108 VanDerWaalsContact O-N 3.07Å; E108-C110 VanDerWaalsContact C-N 3.27Å; E108-C110 PolarHBondContact O-N 2.96Å; E108-Q111 WeakPolarHBondContact O-CB 3.43Å; E108-Q111 PolarHBondContact O-N 3.44Å; E108-Q111 VanDerWaalsContact O-N 3.08Å; E108-L112 WeakPolarHBondContact O-CG 3.39Å; E108-L112 PolarHBondContact O-N 3.23Å
109F98.6Very high98Very high6 Ų622.6 Ų22.63%0.02613%0.125CC..Hα-helixtrans-55.5-45.2171.8170.9-95.6000111.1V19 Y22 Y24 P32 F103 G105 L106 F107 Q111 L112 S113 L139V19-F109 HydrophobicContact CG2-CD2 4.41Å; V19-F109 HydrophobicContact CG2-CE2 4.33Å; Y22-F109 HydrophobicContact CD1-CB 4.11Å; Y22-F109 HydrophobicContact CD2-CB 4.02Å; Y22-F109 AromaticContact CD2-CD2 3.99Å; Y22-F109 HydrophobicContact CD2-CD2 3.99Å; Y22-F109 HydrophobicContact CE1-CB 4.46Å; Y22-F109 HydrophobicContact CE2-CB 4.38Å; Y22-F109 HydrophobicContact CG-CB 3.88Å; Y22-F109 HydrophobicContact CG-CD2 4.2Å; Y22-F109 HydrophobicContact CG-CG 4.47Å; Y24-F109 HydrophobicContact CE2-CE1 4.19Å; Y24-F109 HydrophobicContact CE2-CZ 4.16Å; Y24-F109 WeakPolarHBondContact OH-CE1 3.44Å; Y24-F109 WeakPolarHBondContact OH-CZ 3.4Å; P32-F109 HydrophobicContact CB-CE2 4.03Å; P32-F109 HydrophobicContact CG-CD2 4.31Å; P32-F109 HydrophobicContact CG-CE2 3.82Å; P32-F109 HydrophobicContact CG-CZ 4.46Å; F103-F109 HydrophobicContact CE2-CB 4.29Å; F103-F109 HydrophobicContact CZ-CB 4.37Å; F103-F109 HydrophobicContact CZ-CD1 4.27Å; F103-F109 HydrophobicContact CZ-CG 4.35Å; G105-F109 PolarHBondContact O-N 3.45Å; L106-F109 WeakPolarHBondContact O-CB 3.31Å; L106-F109 PolarHBondContact O-N 3.22Å; F107-F109 VanDerWaalsContact C-N 3.34Å; F107-F109 PolarHBondContact O-N 3.33Å; F109-Q111 VanDerWaalsContact C-N 3.34Å; F109-Q111 PolarHBondContact O-N 3.17Å; F109-L112 PolarHBondContact O-N 3.42Å; F109-S113 WeakPolarHBondContact O-CB 3.36Å; F109-S113 PolarHBondContact O-N 3.43Å; F109-S113 VanDerWaalsContact O-N 3.09Å; F109-L139 HydrophobicContact CE1-CD2 4.05Å
110C98.7Very high98.3Very high2 Ų217.4 Ų17.41%0.01410%0.097CC..Hα-helixtrans-63.1-40175.4-58.70000111.9M64 L106 F107 E108 T114 V153M64-C110 HydrophobicContact CE-CB 4.27Å; L106-C110 PolarHBondContact O-N 3.47Å; L106-C110 VanDerWaalsContact O-N 3.15Å; L106-C110 PolarHBondContact O-SG 2.98Å; F107-C110 WeakPolarHBondContact O-CA 3.18Å; F107-C110 VanDerWaalsContact O-CB 3.31Å; F107-C110 WeakPolarHBondContact O-CB 3.23Å; F107-C110 PolarHBondContact O-N 2.71Å; F107-C110 VanDerWaalsContact O-N 3.09Å; E108-C110 VanDerWaalsContact C-N 3.27Å; E108-C110 PolarHBondContact O-N 2.96Å; C110-T114 WeakPolarHBondContact O-CB 3.31Å; C110-T114 PolarHBondContact O-N 2.82Å; C110-T114 PolarHBondContact O-OG1 2.92Å; C110-V153 HydrophobicContact CB-CB 4.26Å; C110-V153 HydrophobicContact CB-CG2 3.83Å
111Q98.8Very high98.4Very high29 Ų2917.3 Ų17.314%0.13610%0.096CC..Hα-helixtrans-63.9-43.3179.2-66.5-175.2-78.800112.6K58 A59 M64 F107 E108 F109 G115K58-Q111 HydrophobicContact CB-CB 3.91Å; K58-Q111 HydrophobicContact CG-CB 4.27Å; A59-Q111 PolarHBondContact N-O 3.18Å; A59-Q111 VanDerWaalsContact N-O 3.13Å; A59-Q111 VanDerWaalsContact O-CG 3.28Å; A59-Q111 WeakPolarHBondContact O-CG 3.43Å; A59-Q111 PolarHBondContact O-NE2 2.75Å; M64-Q111 HydrophobicContact CE-CB 4.18Å; M64-Q111 HydrophobicContact CE-CG 3.67Å; F107-Q111 HydrophobicContact CD1-CG 3.99Å; F107-Q111 VanDerWaalsContact CE1-CD 3.48Å; F107-Q111 HydrophobicContact CE1-CG 3.8Å; F107-Q111 HydrophobicContact CZ-CG 4.25Å; F107-Q111 VanDerWaalsContact O-CG 3.32Å; F107-Q111 WeakPolarHBondContact O-CG 3.4Å; F107-Q111 PolarHBondContact O-N 3.42Å; E108-Q111 WeakPolarHBondContact O-CB 3.43Å; E108-Q111 PolarHBondContact O-N 3.44Å; E108-Q111 VanDerWaalsContact O-N 3.08Å; F109-Q111 VanDerWaalsContact C-N 3.34Å; F109-Q111 PolarHBondContact O-N 3.17Å; Q111-G115 WeakPolarHBondContact O-CA 3.28Å; Q111-G115 PolarHBondContact O-N 2.98Å
112L98.5Very high98.4Very high4 Ų416.4 Ų16.42%0.0219%0.09CC..Hα-helixtrans-70.2-45179.9-66175.5000111.8D16 D18 Y22 K58 E108 F109 T114 G115 G116D16-L112 HydrophobicContact CB-CD1 4.12Å; D16-L112 HydrophobicContact CB-CD2 3.93Å; D18-L112 HydrophobicContact CB-CD1 4.42Å; Y22-L112 HydrophobicContact CE2-CD1 3.76Å; K58-L112 HydrophobicContact CG-CD2 3.97Å; E108-L112 WeakPolarHBondContact O-CG 3.39Å; E108-L112 PolarHBondContact O-N 3.23Å; F109-L112 PolarHBondContact O-N 3.42Å; L112-T114 PolarHBondContact O-N 3.28Å; L112-G115 PolarHBondContact O-N 3Å; L112-G116 PolarHBondContact O-N 2.68Å
113S97.9Very high98.4Very high1 Ų115.8 Ų15.81%0.0079%0.087CC..Hα-helixtrans-58-48.6175.8178.40000111.1F109 S117 N134 A136 G137 L139F109-S113 WeakPolarHBondContact O-CB 3.36Å; F109-S113 PolarHBondContact O-N 3.43Å; F109-S113 VanDerWaalsContact O-N 3.09Å; S113-S117 PolarHBondContact O-OG 3.36Å; S113-N134 PolarHBondContact O-ND2 2.93Å; S113-A136 WeakPolarHBondContact CB-O 3.27Å; S113-A136 PolarHBondContact OG-O 3.2Å; S113-G137 WeakPolarHBondContact OG-CA 3.27Å; S113-L139 WeakPolarHBondContact OG-CD1 3.22Å
114T98.8Very high98.4Very high0 Ų015.3 Ų15.30%09%0.085CC..Hα-helixtrans-67.5-43.8179-560000112.5A59 M64 C110 L112 G116 S117 V118 V153 L158A59-T114 HydrophobicContact CB-CG2 3.73Å; M64-T114 HydrophobicContact CG-CG2 4.48Å; C110-T114 WeakPolarHBondContact O-CB 3.31Å; C110-T114 PolarHBondContact O-N 2.82Å; C110-T114 PolarHBondContact O-OG1 2.92Å; L112-T114 PolarHBondContact O-N 3.28Å; T114-G116 VanDerWaalsContact C-N 3.32Å; T114-G116 PolarHBondContact O-N 2.98Å; T114-S117 PolarHBondContact O-N 3.06Å; T114-V118 HydrophobicContact CG2-CG2 4.06Å; T114-V118 WeakPolarHBondContact O-CG2 3.38Å; T114-V118 PolarHBondContact O-N 3.34Å; T114-V153 HydrophobicContact CG2-CG1 4.44Å; T114-V153 VanDerWaalsContact OG1-CG1 3.3Å; T114-V153 WeakPolarHBondContact OG1-CG1 3.45Å; T114-L158 HydrophobicContact CG2-CD1 3.49Å; T114-L158 VanDerWaalsContact CG2-CD1 3.49Å
115G98.5Very high98.4Very high0 Ų09.6 Ų9.60%05%0.054CC..Hα-helixtrans-59.2-42.5-177.500000112.4H57 Q111 L112 S117 A119H57-G115 WeakPolarHBondContact O-CA 3.32Å; Q111-G115 WeakPolarHBondContact O-CA 3.28Å; Q111-G115 PolarHBondContact O-N 2.98Å; L112-G115 PolarHBondContact O-N 3Å; G115-S117 PolarHBondContact O-N 3.1Å; G115-A119 WeakPolarHBondContact O-CB 3.15Å; G115-A119 PolarHBondContact O-N 3.48Å
116G98.6Very high98.4Very high0 Ų011.9 Ų11.90%06%0.055CC..Hα-helixtrans-61.7-42.9176.100000113.4L112 T114 G120L112-G116 PolarHBondContact O-N 2.68Å; T114-G116 VanDerWaalsContact C-N 3.32Å; T114-G116 PolarHBondContact O-N 2.98Å; G116-G120 PolarHBondContact O-N 2.82Å
117S98.9Very high98.3Very high0 Ų020.1 Ų20.10%09%0.093CC..Hα-helixtrans-71-43.4-178.6-58.80000111.8S113 T114 G115 G120 A121 N134 D155 L298S113-S117 PolarHBondContact O-OG 3.36Å; T114-S117 PolarHBondContact O-N 3.06Å; G115-S117 PolarHBondContact O-N 3.1Å; S117-G120 PolarHBondContact O-N 2.88Å; S117-A121 PolarHBondContact O-N 2.64Å; S117-N134 PolarHBondContact N-ND2 3.2Å; S117-N134 PolarHBondContact OG-ND2 3.34Å; S117-D155 WeakPolarHBondContact CB-OD2 3.39Å; S117-D155 PolarHBondContact OG-OD2 2.75Å; S117-L298 WeakPolarHBondContact OG-CD2 3.44Å
118V98.8Very high98.2Very high5 Ų522.1 Ų22.13%0.0310%0.103CC..Hα-helixtrans-67.4-44.7177.21750000111T114 G120 A121 V122 L158 A388T114-V118 HydrophobicContact CG2-CG2 4.06Å; T114-V118 WeakPolarHBondContact O-CG2 3.38Å; T114-V118 PolarHBondContact O-N 3.34Å; V118-G120 VanDerWaalsContact C-N 3.32Å; V118-G120 PolarHBondContact O-N 2.87Å; V118-A121 WeakPolarHBondContact O-CB 3.21Å; V118-A121 PolarHBondContact O-N 2.91Å; V118-V122 WeakPolarHBondContact O-CG2 3.25Å; V118-V122 PolarHBondContact O-N 3.24Å; V118-L158 HydrophobicContact CG2-CB 3.98Å; V118-A388 HydrophobicContact CG1-CB 3.46Å; V118-A388 VanDerWaalsContact CG1-CB 3.46Å
119A98.4Very high98.2Very high1 Ų118.9 Ų18.91%0.0089%0.089CC..Hα-helixtrans-62-40.7175.900000111.8Y14 G115 V122 K123Y14-A119 HydrophobicContact CD1-CB 4.2Å; Y14-A119 HydrophobicContact CE1-CB 3.53Å; Y14-A119 PolarHBondContact OH-O 3.39Å; G115-A119 WeakPolarHBondContact O-CB 3.15Å; G115-A119 PolarHBondContact O-N 3.48Å; A119-V122 PolarHBondContact O-N 3.33Å; A119-K123 PolarHBondContact O-N 3.19Å
120G98.6Very high98.2Very high0 Ų022.2 Ų22.20%011%0.107CC..Hα-helixtrans-57.1-47.4171.900000112.7G116 S117 V118 K123 L124G116-G120 PolarHBondContact O-N 2.82Å; S117-G120 PolarHBondContact O-N 2.88Å; V118-G120 VanDerWaalsContact C-N 3.32Å; V118-G120 PolarHBondContact O-N 2.87Å; G120-K123 PolarHBondContact O-N 3.14Å; G120-L124 WeakPolarHBondContact O-CG 3.49Å; G120-L124 PolarHBondContact O-N 2.75Å
121A98.8Very high98.2Very high0 Ų022.1 Ų22.10%011%0.106CC..Hα-helixtrans-62.1-42.7176.100000113S117 V118 K123 L124 N125 A159 E162 L163S117-A121 PolarHBondContact O-N 2.64Å; V118-A121 WeakPolarHBondContact O-CB 3.21Å; V118-A121 PolarHBondContact O-N 2.91Å; A121-K123 VanDerWaalsContact C-N 3.33Å; A121-K123 PolarHBondContact O-N 3.5Å; A121-L124 PolarHBondContact O-N 3.06Å; A121-N125 WeakPolarHBondContact O-CB 3.35Å; A121-N125 PolarHBondContact O-N 2.86Å; A121-A159 HydrophobicContact CB-CB 4.14Å; A121-A159 WeakPolarHBondContact CB-O 3.45Å; A121-E162 HydrophobicContact CB-CB 3.93Å; A121-E162 HydrophobicContact CB-CG 4.08Å; A121-L163 HydrophobicContact CB-CD2 4.12Å; A121-L163 HydrophobicContact CB-CG 3.94Å
122V98.4Very high98.2Very high0 Ų020.8 Ų20.80%010%0.1CC..Hα-helixtrans-59.6-44174.2172.40000111V118 A119 L124 N125 K126 E162 A388V118-V122 WeakPolarHBondContact O-CG2 3.25Å; V118-V122 PolarHBondContact O-N 3.24Å; A119-V122 PolarHBondContact O-N 3.33Å; V122-L124 VanDerWaalsContact C-N 3.33Å; V122-L124 PolarHBondContact O-N 3.34Å; V122-N125 PolarHBondContact O-N 2.87Å; V122-K126 HydrophobicContact CG1-CD 4Å; V122-K126 HydrophobicContact CG1-CG 4.42Å; V122-K126 WeakPolarHBondContact O-CB 3.46Å; V122-K126 WeakPolarHBondContact O-CG 3.22Å; V122-K126 PolarHBondContact O-N 3.38Å; V122-E162 HydrophobicContact CG2-CG 3.77Å; V122-A388 HydrophobicContact CG2-CB 3.84Å
123K98.1Very high98.2Very high6 Ų620.6 Ų20.63%0.02610%0.099CC..Hα-helixtrans-62.8-39.6179.9-15475.6169.8177.40112Y54 A119 G120 A121 Q127 Q128 T129 D392Y54-K123 WeakPolarHBondContact OH-CE 3.22Å; Y54-K123 PolarHBondContact OH-NZ 3.47Å; A119-K123 PolarHBondContact O-N 3.19Å; G120-K123 PolarHBondContact O-N 3.14Å; A121-K123 VanDerWaalsContact C-N 3.33Å; A121-K123 PolarHBondContact O-N 3.5Å; K123-Q127 PolarHBondContact O-N 3.21Å; K123-Q128 HydrophobicContact CD-CB 3.98Å; K123-Q128 VanDerWaalsContact CD-OE1 3.3Å; K123-Q128 HydrophobicContact CG-CB 4.06Å; K123-Q128 PolarHBondContact O-N 3.39Å; K123-T129 HydrophobicContact CB-CG2 3.97Å; K123-T129 HydrophobicContact CG-CG2 3.74Å; K123-D392 IonicContact NZ-OD2 3.17Å
124L98.4Very high98.3Very high2 Ų220.6 Ų20.61%0.0110%0.099CC..Hα-helixtrans-66.8-47.3175-69.5167.4000111.6G120 A121 V122 K126 Q127 T129 D130 A132 L163 P294 L296G120-L124 WeakPolarHBondContact O-CG 3.49Å; G120-L124 PolarHBondContact O-N 2.75Å; A121-L124 PolarHBondContact O-N 3.06Å; V122-L124 VanDerWaalsContact C-N 3.33Å; V122-L124 PolarHBondContact O-N 3.34Å; L124-K126 VanDerWaalsContact C-N 3.28Å; L124-K126 PolarHBondContact O-N 2.96Å; L124-Q127 WeakPolarHBondContact O-CA 3.35Å; L124-Q127 PolarHBondContact O-N 3.43Å; L124-T129 HydrophobicContact CD2-CG2 3.78Å; L124-T129 HydrophobicContact CG-CG2 4.15Å; L124-D130 WeakPolarHBondContact CD2-O 3.24Å; L124-A132 HydrophobicContact CD1-CB 4.1Å; L124-A132 HydrophobicContact CG-CB 4.16Å; L124-L163 HydrophobicContact CB-CD2 4.1Å; L124-L163 HydrophobicContact CD1-CD2 4.38Å; L124-P294 HydrophobicContact CB-CB 4.43Å; L124-P294 HydrophobicContact CD2-CB 3.95Å; L124-L296 HydrophobicContact CD1-CB 3.79Å
125N98.1Very high98.3Very high5 Ų520.7 Ų20.73%0.02710%0.099CC..Hα-helixtrans-57.7-40.9176.1-80.7-19.1000112.6A121 V122 Q127 E162 L163 Y166 H167A121-N125 WeakPolarHBondContact O-CB 3.35Å; A121-N125 PolarHBondContact O-N 2.86Å; V122-N125 PolarHBondContact O-N 2.87Å; N125-Q127 PolarHBondContact O-N 3.35Å; N125-E162 PolarHBondContact ND2-O 3.2Å; N125-L163 WeakPolarHBondContact OD1-CA 3.29Å; N125-Y166 HydrophobicContact CB-CD2 3.53Å; N125-Y166 HydrophobicContact CB-CE2 3.88Å; N125-Y166 HydrophobicContact CB-CG 4.07Å; N125-Y166 WeakPolarHBondContact ND2-CD2 3.36Å; N125-H167 PolarHBondContact OD1-CD2 2.97Å; N125-H167 VanDerWaalsContact OD1-CD2 3.27Å
126K96.4Very high98.3Very high79 Ų7921.2 Ų21.234%0.34310%0.104SC..THydrogen-bonded Turntrans-75.20.2176.5-70.1-174.7175.3-177.70113.7V122 L124 Q128 D387 H390V122-K126 HydrophobicContact CG1-CD 4Å; V122-K126 HydrophobicContact CG1-CG 4.42Å; V122-K126 WeakPolarHBondContact O-CB 3.46Å; V122-K126 WeakPolarHBondContact O-CG 3.22Å; V122-K126 PolarHBondContact O-N 3.38Å; L124-K126 VanDerWaalsContact C-N 3.28Å; L124-K126 PolarHBondContact O-N 2.96Å; K126-Q128 HydrophobicContact CB-CG 3.93Å; K126-Q128 PolarHBondContact O-N 3.35Å; K126-D387 WeakPolarHBondContact CE-OD2 3.29Å; K126-D387 IonicContact NZ-OD2 3.91Å; K126-H390 PolarHBondContact NZ-CD2 3.29Å; K126-H390 VanDerWaalsContact NZ-CD2 3.34Å
127Q97Very high98.3Very high177 Ų17721.3 Ų21.383%0.82710%0.104SC*.THydrogen-bonded Turntrans5631.7-180-55.3173.320.800112.5K123 L124 N125K123-Q127 PolarHBondContact O-N 3.21Å; L124-Q127 WeakPolarHBondContact O-CA 3.35Å; L124-Q127 PolarHBondContact O-N 3.43Å; N125-Q127 PolarHBondContact O-N 3.35Å
128Q96.1Very high98.3Very high73 Ų7321.3 Ų21.334%0.34111%0.105SC..SBendtrans-93-9.2-179.8-67.2-1783.700113K10 K123 K126K10-Q128 VanDerWaalsContact CD-O 3.32Å; K10-Q128 WeakPolarHBondContact CD-O 3.41Å; K10-Q128 WeakPolarHBondContact CE-O 3.36Å; K10-Q128 PolarHBondContact NZ-O 3.24Å; K10-Q128 VanDerWaalsContact NZ-O 3.14Å; K123-Q128 HydrophobicContact CD-CB 3.98Å; K123-Q128 VanDerWaalsContact CD-OE1 3.3Å; K123-Q128 HydrophobicContact CG-CB 4.06Å; K123-Q128 PolarHBondContact O-N 3.39Å; K126-Q128 HydrophobicContact CB-CG 3.93Å; K126-Q128 PolarHBondContact O-N 3.35Å
129T97.6Very high98.3Very high7 Ų721.8 Ų21.84%0.04311%0.107CC..  trans-149.7154.9175.3-165.30000110.1K10 C12 K123 L124 I131 A132K10-T129 PolarHBondContact O-OG1 3Å; C12-T129 HydrophobicContact CB-CG2 4.46Å; C12-T129 PolarHBondContact N-OG1 2.87Å; C12-T129 VanDerWaalsContact SG-CB 3.51Å; C12-T129 PolarHBondContact SG-OG1 2.89Å; K123-T129 HydrophobicContact CB-CG2 3.97Å; K123-T129 HydrophobicContact CG-CG2 3.74Å; L124-T129 HydrophobicContact CD2-CG2 3.78Å; L124-T129 HydrophobicContact CG-CG2 4.15Å; T129-I131 PolarHBondContact OG1-O 2.65Å; T129-A132 HydrophobicContact CG2-CB 4.33Å
130D98.4Very high98.3Very high76 Ų7622 Ų2241%0.40611%0.107SC..SBendtrans-90.9-35.6173-60.1-64.5000111.2K9 K10 L124 P294 L295K9-D130 WeakPolarHBondContact CA-OD2 3.33Å; K9-D130 HydrophobicContact CB-CB 3.91Å; K9-D130 HydrophobicContact CD-CB 4.25Å; K9-D130 HydrophobicContact CG-CB 4.13Å; K10-D130 PolarHBondContact N-OD2 3.34Å; K10-D130 PolarHBondContact O-N 2.92Å; K10-D130 VanDerWaalsContact O-N 3.1Å; L124-D130 WeakPolarHBondContact CD2-O 3.24Å; D130-P294 WeakPolarHBondContact O-CA 3.37Å; D130-L295 PolarHBondContact O-N 3.39Å
131I98.8Very high98.3Very high0 Ų022.1 Ų22.10%011%0.108CC..EExtended strand (participates in β ladder)trans-128.2134.1179.7-51.9-179.4000109.4K9 K10 V11 C12 T129 I133 K289 L295 M297 A319K9-I131 HydrophobicContact CB-CD1 4.36Å; K9-I131 HydrophobicContact CD-CD1 3.98Å; K9-I131 HydrophobicContact CD-CG1 4.24Å; K10-I131 PolarHBondContact O-N 2.79Å; V11-I131 WeakPolarHBondContact CA-O 3.4Å; V11-I131 HydrophobicContact CG1-CB 4.46Å; V11-I131 HydrophobicContact CG1-CG2 4.49Å; V11-I131 HydrophobicContact CG2-CB 4.19Å; V11-I131 HydrophobicContact CG2-CD1 4.39Å; C12-I131 PolarHBondContact N-O 3.41Å; T129-I131 PolarHBondContact OG1-O 2.65Å; I131-I133 HydrophobicContact CG2-CG1 4.04Å; I131-K289 HydrophobicContact CD1-CD 4.37Å; I131-K289 HydrophobicContact CD1-CG 4.3Å; I131-L295 CarbonylContact C-O 3.52Å; I131-L295 VanDerWaalsContact CA-O 3.26Å; I131-L295 WeakPolarHBondContact CA-O 3.37Å; I131-L295 HydrophobicContact CG1-CB 4.35Å; I131-M297 HydrophobicContact CG2-CG 4.3Å; I131-M297 HydrophobicContact CG2-SD 3.92Å; I131-A319 HydrophobicContact CD1-CB 4.18Å; I131-A319 HydrophobicContact CG2-CB 4.46Å
132A98.9Very high98.3Very high0 Ų022.1 Ų22.10%011%0.108CC..EExtended strand (participates in β ladder)trans-118.9136.1168.600000109.3C12 Y14 L124 T129 L295 L296 M297C12-A132 CarbonylContact O-C 3.44Å; C12-A132 WeakPolarHBondContact O-CA 3.41Å; Y14-A132 HydrophobicContact CE2-CB 4.32Å; L124-A132 HydrophobicContact CD1-CB 4.1Å; L124-A132 HydrophobicContact CG-CB 4.16Å; T129-A132 HydrophobicContact CG2-CB 4.33Å; A132-L295 PolarHBondContact N-O 3.15Å; A132-L296 HydrophobicContact CB-CD1 3.8Å; A132-L296 CarbonylContact O-C 3.57Å; A132-L296 WeakPolarHBondContact O-CA 3.11Å; A132-M297 PolarHBondContact O-N 3Å
133I98.9Very high98.3Very high0 Ų023 Ų230%011%0.112CC..EExtended strand (participates in β ladder)trans-122.9126.2-177.1-55179.8000109.6V11 C12 Y13 Y14 I131 W135 M297 T316 A319V11-I133 HydrophobicContact CG1-CD1 3.66Å; V11-I133 HydrophobicContact CG1-CG1 4.08Å; C12-I133 PolarHBondContact O-N 2.88Å; Y13-I133 HydrophobicContact CD2-CB 4.02Å; Y13-I133 HydrophobicContact CD2-CG2 3.87Å; Y13-I133 HydrophobicContact CE2-CG2 4.36Å; Y14-I133 PolarHBondContact N-O 3.21Å; I131-I133 HydrophobicContact CG2-CG1 4.04Å; I133-W135 HydrophobicContact CG2-CD2 3.72Å; I133-W135 HydrophobicContact CG2-CE3 4.29Å; I133-W135 HydrophobicContact CG2-CG 4.18Å; I133-W135 HydrophobicContact CG2-CH2 4.21Å; I133-W135 HydrophobicContact CG2-CZ2 3.59Å; I133-W135 HydrophobicContact CG2-CZ3 4.5Å; I133-M297 WeakPolarHBondContact CA-O 3.34Å; I133-M297 HydrophobicContact CD1-SD 4.43Å; I133-M297 HydrophobicContact CG1-CB 4.23Å; I133-M297 HydrophobicContact CG1-SD 4.33Å; I133-T316 HydrophobicContact CD1-CG2 4.09Å; I133-A319 HydrophobicContact CD1-CB 3.91Å
134N98.9Very high98.3Very high2 Ų228 Ų281%0.01113%0.134CC..EExtended strand (participates in β ladder)trans-13595.4170.5176.725.3000110.8S113 S117 A136 G137 M297 L298 G299S113-N134 PolarHBondContact O-ND2 2.93Å; S117-N134 PolarHBondContact N-ND2 3.2Å; S117-N134 PolarHBondContact OG-ND2 3.34Å; N134-A136 PolarHBondContact O-N 3.25Å; N134-A136 WeakPolarHBondContact OD1-CB 3.48Å; N134-A136 PolarHBondContact OD1-N 2.86Å; N134-A136 VanDerWaalsContact OD1-N 3.17Å; N134-G137 PolarHBondContact ND2-N 3.41Å; N134-G137 PolarHBondContact O-N 3.39Å; N134-M297 PolarHBondContact N-O 3.04Å; N134-L298 HydrophobicContact CB-CD2 3.92Å; N134-L298 WeakPolarHBondContact O-CA 3.33Å; N134-G299 PolarHBondContact O-N 3.47Å
135W98.9Very high98.3Very high1 Ų130 Ų300%0.00415%0.148CC..THydrogen-bonded Turntrans-71.9-12.7179.3-61.4138.4000114.2Y13 I133 C261 M297 L298 W312 E315 T316Y13-W135 AromaticContact CE2-CD1 3.5Å; Y13-W135 HydrophobicContact CE2-CG 4.35Å; Y13-W135 AromaticContact CE2-NE1 3.96Å; I133-W135 HydrophobicContact CG2-CD2 3.72Å; I133-W135 HydrophobicContact CG2-CE3 4.29Å; I133-W135 HydrophobicContact CG2-CG 4.18Å; I133-W135 HydrophobicContact CG2-CH2 4.21Å; I133-W135 HydrophobicContact CG2-CZ2 3.59Å; I133-W135 HydrophobicContact CG2-CZ3 4.5Å; W135-C261 HydrophobicContact CH2-CB 4.46Å; W135-C261 HydrophobicContact CZ3-CB 3.89Å; W135-M297 HydrophobicContact CH2-CB 4.42Å; W135-M297 HydrophobicContact CH2-CE 3.66Å; W135-M297 HydrophobicContact CZ2-CE 4.21Å; W135-L298 WeakPolarHBondContact CZ3-O 3.27Å; W135-W312 HydrophobicContact CB-CD2 4.31Å; W135-W312 HydrophobicContact CB-CE3 3.76Å; W135-W312 HydrophobicContact CB-CZ3 3.95Å; W135-W312 HydrophobicContact CD2-CB 3.85Å; W135-W312 HydrophobicContact CD2-CD2 4.09Å; W135-W312 HydrophobicContact CD2-CE3 4.4Å; W135-W312 AromaticContact CD2-CG 3.86Å; W135-W312 HydrophobicContact CD2-CG 3.86Å; W135-W312 HydrophobicContact CE3-CB 4.27Å; W135-W312 AromaticContact CE3-CD1 3.89Å; W135-W312 HydrophobicContact CE3-CD2 4.01Å; W135-W312 AromaticContact CE3-CG 3.84Å; W135-W312 HydrophobicContact CE3-CG 3.84Å; W135-W312 HydrophobicContact CG-CB 4.19Å; W135-W312 HydrophobicContact CG-CD2 4.23Å; W135-W312 HydrophobicContact CG-CE3 4.05Å; W135-W312 HydrophobicContact CG-CG 4.33Å; W135-W312 HydrophobicContact CH2-CB 4.4Å; W135-W312 HydrophobicContact CH2-CG 4.41Å; W135-W312 HydrophobicContact CZ2-CB 4.02Å; W135-W312 HydrophobicContact CZ2-CG 4.46Å; W135-W312 WeakPolarHBondContact CZ2-O 3.29Å; W135-W312 AromaticContact CZ3-CD1 3.8Å; W135-W312 HydrophobicContact CZ3-CG 4.13Å; W135-W312 WeakPolarHBondContact O-CH2 3.48Å; W135-W312 WeakPolarHBondContact O-CZ3 3.4Å; W135-E315 HydrophobicContact CH2-CB 4.08Å; W135-E315 HydrophobicContact CZ2-CB 4.27Å; W135-T316 WeakPolarHBondContact CZ2-OG1 3.45Å; W135-T316 PolarHBondContact NE1-OG1 2.94Å; W135-T316 VanDerWaalsContact NE1-OG1 3.09Å
136A98.7Very high98.3Very high12 Ų1233.7 Ų33.710%0.09917%0.165CC..THydrogen-bonded Turntrans-81.7-16.9173.100000113.4V19 I35 S113 N134 L139V19-A136 HydrophobicContact CG2-CB 3.96Å; I35-A136 HydrophobicContact CD1-CB 3.91Å; I35-A136 HydrophobicContact CG2-CB 4.47Å; S113-A136 WeakPolarHBondContact CB-O 3.27Å; S113-A136 PolarHBondContact OG-O 3.2Å; N134-A136 PolarHBondContact O-N 3.25Å; N134-A136 WeakPolarHBondContact OD1-CB 3.48Å; N134-A136 PolarHBondContact OD1-N 2.86Å; N134-A136 VanDerWaalsContact OD1-N 3.17Å; A136-L139 WeakPolarHBondContact O-CD1 3.4Å
137G98.7Very high98.4Very high1 Ų130 Ų301%0.0115%0.149CC..  trans-86.4-166.4176.600000113.4S113 N134 D155 G299 G300S113-G137 WeakPolarHBondContact OG-CA 3.27Å; N134-G137 PolarHBondContact ND2-N 3.41Å; N134-G137 PolarHBondContact O-N 3.39Å; G137-D155 WeakPolarHBondContact CA-OD2 3.45Å; G137-G299 CarbonylContact O-C 3.56Å; G137-G299 WeakPolarHBondContact O-CA 3.45Å; G137-G299 PolarHBondContact O-N 3.44Å; G137-G300 PolarHBondContact O-N 3.49Å
138G98.6Very high98.5Very high1 Ų122.3 Ų22.31%0.0112%0.115CC..  trans91.124.1178.800000114H140 D155 Q260G138-H140 VanDerWaalsContact C-N 3.28Å; G138-H140 PolarHBondContact O-N 2.94Å; G138-D155 PolarHBondContact N-OD1 3.43Å; G138-D155 VanDerWaalsContact N-OD1 3.12Å; G138-D155 PolarHBondContact N-OD2 2.78Å; G138-Q260 PolarHBondContact O-NE2 3.31Å
139L98.7Very high98.5Very high14 Ų1419.3 Ų19.37%0.07310%0.104CC..  trans-82.670.7-175.9-78.572000111F109 S113 A136 H141 C151 D155F109-L139 HydrophobicContact CE1-CD2 4.05Å; S113-L139 WeakPolarHBondContact OG-CD1 3.22Å; A136-L139 WeakPolarHBondContact O-CD1 3.4Å; L139-H141 PolarHBondContact O-N 2.85Å; L139-C151 VanDerWaalsContact C-SG 3.51Å; L139-C151 VanDerWaalsContact CA-SG 3.53Å; L139-C151 HydrophobicContact CB-CB 3.87Å; L139-C151 HydrophobicContact CG-CB 4.45Å; L139-D155 PolarHBondContact N-OD1 3.13Å
140H98.8Very high98.5Very high5 Ų520.2 Ų20.22%0.02311%0.107CC..THydrogen-bonded Turntrans-72.7-14.7-165.565.1175.5000116.5G138 N154 I156 D174 D176 G180 G182 V183G138-H140 VanDerWaalsContact C-N 3.28Å; G138-H140 PolarHBondContact O-N 2.94Å; H140-N154 PolarHBondContact O-ND2 2.61Å; H140-I156 HydrophobicContact CB-CD1 3.58Å; H140-D174 IonicContact CE1-OD1 3.16Å; H140-D174 IonicContact CE1-OD2 3.77Å; H140-D174 IonicContact CG-OD2 3.92Å; H140-D174 IonicContact ND1-OD1 2.77Å; H140-D174 IonicContact ND1-OD2 2.7Å; H140-D174 PolarHBondContact ND1-OD2 2.9Å; H140-D176 VanDerWaalsContact CE1-CB 3.44Å; H140-D176 WeakPolarHBondContact CE1-CB 3.11Å; H140-D176 VanDerWaalsContact CE1-CG 3.42Å; H140-D176 IonicContact CE1-OD1 3.03Å; H140-D176 IonicContact CE1-OD2 3.33Å; H140-D176 IonicContact NE2-OD1 3.71Å; H140-D176 IonicContact NE2-OD2 2.96Å; H140-G180 WeakPolarHBondContact ND1-CA 3.21Å; H140-G182 WeakPolarHBondContact O-CA 3.4Å; H140-G182 PolarHBondContact O-N 3.49Å; H140-V183 HydrophobicContact CB-CG2 4Å; H140-V183 PolarHBondContact O-N 3.28Å
141H98.8Very high98.5Very high4 Ų417 Ų172%0.0199%0.09CC..THydrogen-bonded Turntrans-85.8-18.5-175.8-68.1-46.7000113.9L139 K143 S148 C151 H178 H179 D181 F205L139-H141 PolarHBondContact O-N 2.85Å; H141-K143 WeakPolarHBondContact O-CD 3.49Å; H141-K143 WeakPolarHBondContact O-CE 3.37Å; H141-K143 PolarHBondContact O-N 2.83Å; H141-S148 WeakPolarHBondContact CB-O 3.44Å; H141-S148 WeakPolarHBondContact O-CB 3.42Å; H141-C151 HydrophobicContact CB-CB 3.99Å; H141-H178 WeakPolarHBondContact NE2-CB 3.36Å; H141-H178 AromaticContact NE2-CG 3.9Å; H141-H179 PolarHBondContact CE1-O 3.27Å; H141-H179 VanDerWaalsContact CE1-O 3.26Å; H141-D181 WeakPolarHBondContact CA-OD1 3.45Å; H141-D181 IonicContact CE1-OD1 2.74Å; H141-D181 IonicContact CG-OD1 3.83Å; H141-D181 IonicContact ND1-OD1 3.1Å; H141-D181 PolarHBondContact ND1-OD1 2.9Å; H141-F205 AromaticContact CD2-CE1 3.67Å; H141-F205 AromaticContact CE1-CE1 3.63Å; H141-F205 AromaticContact CG-CE1 3.85Å; H141-F205 AromaticContact ND1-CE1 3.82Å; H141-F205 AromaticContact NE2-CD1 3.91Å; H141-F205 AromaticContact NE2-CE1 3.48Å; H141-F205 WeakPolarHBondContact NE2-CE1 3.4Å
142A98.7Very high98.5Very high0 Ų017 Ų170%09%0.09CC..  trans-61.2130.7-17700000110.9C151 N154A142-C151 HydrophobicContact CB-CB 3.74Å; A142-C151 VanDerWaalsContact N-CB 3.35Å; A142-N154 HydrophobicContact CB-CB 3.81Å; A142-N154 PolarHBondContact O-ND2 3.03Å
143K98.6Very high98.5Very high17 Ų1717 Ų177%0.0749%0.091CC..  trans-96.8175-179.1-52.9-58.2-177.8173.10110.7H68 H141 S145 E146 D181 E185H68-K143 PolarHBondContact CE1-O 3.39Å; H68-K143 PolarHBondContact ND1-O 3.06Å; H141-K143 WeakPolarHBondContact O-CD 3.49Å; H141-K143 WeakPolarHBondContact O-CE 3.37Å; H141-K143 PolarHBondContact O-N 2.83Å; K143-S145 PolarHBondContact O-N 2.83Å; K143-E146 HydrophobicContact CB-CG 3.59Å; K143-E146 HydrophobicContact CG-CG 3.72Å; K143-E146 PolarHBondContact N-O 3.18Å; K143-D181 WeakPolarHBondContact CE-OD2 3.39Å; K143-D181 PolarHBondContact NZ-O 3.29Å; K143-D181 IonicContact NZ-OD1 2.65Å; K143-D181 IonicContact NZ-OD2 3.07Å; K143-D181 PolarHBondContact NZ-OD2 2.94Å; K143-E185 IonicContact NZ-OE2 2.67Å
144K98.4Very high98.5Very high113 Ų11317 Ų1749%0.4919%0.091SC..SBendtrans-57.5-37.2179.8-177.3163.2-176.6168.30113Y67 H68 S69Y67-K144 HydrophobicContact CE1-CB 4.42Å; Y67-K144 HydrophobicContact CE2-CB 4.15Å; Y67-K144 HydrophobicContact CE2-CG 4.46Å; Y67-K144 VanDerWaalsContact O-CE 3.23Å; Y67-K144 WeakPolarHBondContact O-CE 3.3Å; Y67-K144 WeakPolarHBondContact O-CG 3.17Å; Y67-K144 PolarHBondContact OH-N 3.25Å; H68-K144 WeakPolarHBondContact CA-O 3.32Å; H68-K144 PolarHBondContact ND1-O 2.88Å; S69-K144 PolarHBondContact N-O 2.9Å
145S98.4Very high98.5Very high44 Ų4417 Ų1731%0.3089%0.09SC..SBendtrans-139.722.8-171.6-64.20000113.3S69 F94 K143S69-S145 VanDerWaalsContact CB-OG 3.22Å; S69-S145 WeakPolarHBondContact CB-OG 3.36Å; S69-S145 PolarHBondContact OG-OG 3.15Å; F94-S145 VanDerWaalsContact CD1-O 3.22Å; F94-S145 WeakPolarHBondContact CD1-O 3.13Å; K143-S145 PolarHBondContact O-N 2.83Å
146E97.8Very high98.5Very high82 Ų8216.9 Ų16.938%0.3839%0.09SC..SBendtrans-156.6152173.658.8-176.5155.800111F94 N95 K143F94-E146 WeakPolarHBondContact O-CA 3.42Å; N95-E146 HydrophobicContact CB-CB 4.2Å; K143-E146 HydrophobicContact CB-CG 3.59Å; K143-E146 HydrophobicContact CG-CG 3.72Å; K143-E146 PolarHBondContact N-O 3.18Å
147A98.6Very high98.5Very high0 Ų016.4 Ų16.40%09%0.086CC..  trans-78.4152.8168.500000110Y72 F94 N95 V96 C100 C151 Y152Y72-A147 WeakPolarHBondContact OH-CA 3.42Å; Y72-A147 PolarHBondContact OH-N 2.9Å; F94-A147 PolarHBondContact O-N 3.19Å; N95-A147 WeakPolarHBondContact CB-O 3.46Å; N95-A147 PolarHBondContact ND2-O 3.39Å; V96-A147 HydrophobicContact CG2-CB 3.71Å; C100-A147 HydrophobicContact CB-CB 3.91Å; A147-C151 CarbonylContact C-O 3.59Å; A147-C151 VanDerWaalsContact CA-O 3.23Å; A147-C151 WeakPolarHBondContact CA-O 3.32Å; A147-C151 WeakPolarHBondContact CB-O 3.21Å; A147-Y152 HydrophobicContact CB-CD1 3.76Å; A147-Y152 HydrophobicContact CB-CE1 4.27Å; A147-Y152 HydrophobicContact CB-CG 4.46Å
148S98.4Very high98.5Very high16 Ų1616.7 Ų16.711%0.1129%0.087CC..BIsolated β-bridgetrans-160144.1176.4-173.40000109.9H141 F150 C151 F205H141-S148 WeakPolarHBondContact CB-O 3.44Å; H141-S148 WeakPolarHBondContact O-CB 3.42Å; S148-F150 PolarHBondContact O-N 3.09Å; S148-C151 PolarHBondContact N-O 3.46Å; S148-C151 WeakPolarHBondContact O-CA 3.24Å; S148-C151 VanDerWaalsContact O-CB 3.25Å; S148-C151 WeakPolarHBondContact O-CB 3.22Å; S148-C151 PolarHBondContact O-N 3.02Å; S148-F205 WeakPolarHBondContact OG-CZ 3.48Å
149G96.4Very high98.5Very high11 Ų1116.6 Ų16.611%0.1139%0.086CC..THydrogen-bonded Turntrans50.549.1172.900000114.1C151G149-C151 PolarHBondContact O-N 3.01Å; G149-C151 VanDerWaalsContact O-N 3.14Å; G149-C151 PolarHBondContact O-SG 3.22Å; G149-C151 VanDerWaalsContact O-SG 3.33Å
150F98.1Very high98.6Very high25 Ų2516 Ų1611%0.118%0.083CC..THydrogen-bonded Turntrans69.20.4-176.8-38.6-41.6000115.5Y24 H28 P29 M30 D99 C100 S148 Y152 L271 Y303Y24-F150 HydrophobicContact CE1-CB 4.14Å; Y24-F150 PolarHBondContact OH-O 3.35Å; H28-F150 AromaticContact CE1-CD1 3.32Å; H28-F150 WeakPolarHBondContact CE1-CD1 3.48Å; H28-F150 AromaticContact CE1-CE1 3.55Å; H28-F150 AromaticContact CE1-CG 3.84Å; H28-F150 AromaticContact NE2-CD1 3.4Å; H28-F150 WeakPolarHBondContact NE2-CD1 3.33Å; H28-F150 AromaticContact NE2-CE1 3.44Å; H28-F150 WeakPolarHBondContact NE2-CE1 3.36Å; P29-F150 HydrophobicContact CG-CE1 4.41Å; P29-F150 HydrophobicContact CG-CE2 4.08Å; P29-F150 HydrophobicContact CG-CZ 3.72Å; M30-F150 HydrophobicContact CB-CB 4.39Å; M30-F150 HydrophobicContact CB-CD2 4.34Å; M30-F150 HydrophobicContact CB-CG 4.31Å; M30-F150 HydrophobicContact CE-CB 4.27Å; M30-F150 HydrophobicContact CE-CD2 4.27Å; D99-F150 HydrophobicContact CB-CE1 4.33Å; D99-F150 WeakPolarHBondContact O-CD1 3.37Å; C100-F150 PolarHBondContact SG-N 3.4Å; C100-F150 VanDerWaalsContact SG-N 3.36Å; S148-F150 PolarHBondContact O-N 3.09Å; F150-Y152 WeakPolarHBondContact O-CE2 3.39Å; F150-L271 HydrophobicContact CE2-CD1 4.11Å; F150-L271 HydrophobicContact CZ-CD1 4.39Å; F150-Y303 AromaticContact CD2-CE1 3.91Å; F150-Y303 HydrophobicContact CD2-CE1 3.91Å; F150-Y303 WeakPolarHBondContact CD2-OH 3.15Å; F150-Y303 AromaticContact CE2-CE1 3.7Å; F150-Y303 HydrophobicContact CE2-CE1 3.7Å; F150-Y303 AromaticContact CE2-CZ 3.82Å; F150-Y303 WeakPolarHBondContact CE2-OH 3.17Å
151C98.8Very high98.6Very high8 Ų818.5 Ų18.55%0.05410%0.096CC..BIsolated β-bridgetrans-103.9126.5-175.2-57.20000111L139 H141 A142 A147 S148 G149L139-C151 VanDerWaalsContact C-SG 3.51Å; L139-C151 VanDerWaalsContact CA-SG 3.53Å; L139-C151 HydrophobicContact CB-CB 3.87Å; L139-C151 HydrophobicContact CG-CB 4.45Å; H141-C151 HydrophobicContact CB-CB 3.99Å; A142-C151 HydrophobicContact CB-CB 3.74Å; A142-C151 VanDerWaalsContact N-CB 3.35Å; A147-C151 CarbonylContact C-O 3.59Å; A147-C151 VanDerWaalsContact CA-O 3.23Å; A147-C151 WeakPolarHBondContact CA-O 3.32Å; A147-C151 WeakPolarHBondContact CB-O 3.21Å; S148-C151 PolarHBondContact N-O 3.46Å; S148-C151 WeakPolarHBondContact O-CA 3.24Å; S148-C151 VanDerWaalsContact O-CB 3.25Å; S148-C151 WeakPolarHBondContact O-CB 3.22Å; S148-C151 PolarHBondContact O-N 3.02Å; G149-C151 PolarHBondContact O-N 3.01Å; G149-C151 VanDerWaalsContact O-N 3.14Å; G149-C151 PolarHBondContact O-SG 3.22Å; G149-C151 VanDerWaalsContact O-SG 3.33Å
152Y98.8Very high98.5Very high0 Ų018.4 Ų18.40%010%0.096CC..SBendtrans-104.7-47.7179.8-54.2-88.6000112.2Y24 Y72 L76 V96 C100 P101 F103 L106 A147 F150Y24-Y152 AromaticContact CE1-CE2 3.87Å; Y24-Y152 HydrophobicContact CE1-CE2 3.87Å; Y72-Y152 VanDerWaalsContact CE1-O 3.25Å; Y72-Y152 WeakPolarHBondContact CE1-O 3.25Å; Y72-Y152 WeakPolarHBondContact OH-CA 3.26Å; Y72-Y152 PolarHBondContact OH-O 2.97Å; L76-Y152 HydrophobicContact CD2-CD1 4.29Å; V96-Y152 HydrophobicContact CG1-CE1 4.47Å; V96-Y152 HydrophobicContact CG2-CD1 4.22Å; V96-Y152 HydrophobicContact CG2-CE1 4.28Å; C100-Y152 WeakPolarHBondContact CA-OH 3.39Å; C100-Y152 HydrophobicContact CB-CD1 4.45Å; C100-Y152 HydrophobicContact CB-CE1 3.64Å; P101-Y152 WeakPolarHBondContact CD-OH 3.42Å; P101-Y152 VanDerWaalsContact N-OH 3.16Å; P101-Y152 PolarHBondContact O-OH 3.49Å; F103-Y152 HydrophobicContact CE1-CE2 4.11Å; L106-Y152 HydrophobicContact CD1-CD1 4.12Å; L106-Y152 HydrophobicContact CD1-CE1 3.64Å; L106-Y152 HydrophobicContact CD1-CE2 4.32Å; L106-Y152 HydrophobicContact CD2-CD1 4.42Å; L106-Y152 HydrophobicContact CG-CE1 4.46Å; A147-Y152 HydrophobicContact CB-CD1 3.76Å; A147-Y152 HydrophobicContact CB-CE1 4.27Å; A147-Y152 HydrophobicContact CB-CG 4.46Å; F150-Y152 WeakPolarHBondContact O-CE2 3.39Å
153V98.9Very high98.5Very high2 Ų218.5 Ų18.51%0.01210%0.096CC..SBendtrans-118.8133177.7176.70000108M64 I73 L76 C110 T114 D155 L158M64-V153 HydrophobicContact CG-CG1 4.13Å; M64-V153 HydrophobicContact SD-CG1 4.37Å; M64-V153 HydrophobicContact SD-CG2 4.04Å; I73-V153 HydrophobicContact CD1-CG2 4.16Å; L76-V153 HydrophobicContact CD1-CG2 3.86Å; C110-V153 HydrophobicContact CB-CB 4.26Å; C110-V153 HydrophobicContact CB-CG2 3.83Å; T114-V153 HydrophobicContact CG2-CG1 4.44Å; T114-V153 VanDerWaalsContact OG1-CG1 3.3Å; T114-V153 WeakPolarHBondContact OG1-CG1 3.45Å; V153-D155 PolarHBondContact O-N 3.43Å; V153-L158 HydrophobicContact CG1-CD1 3.89Å
154N98.9Very high98.5Very high0 Ų018.8 Ų18.80%010%0.099CC..  trans-88.786.3-179.1-159.3-48.1000109.3Y67 H68 H140 A142 I156 V157 L158Y67-N154 HydrophobicContact CD1-CB 4.41Å; Y67-N154 HydrophobicContact CE1-CB 4.17Å; H68-N154 PolarHBondContact CE1-N 2.92Å; H68-N154 PolarHBondContact NE2-N 3.05Å; H140-N154 PolarHBondContact O-ND2 2.61Å; A142-N154 HydrophobicContact CB-CB 3.81Å; A142-N154 PolarHBondContact O-ND2 3.03Å; N154-I156 PolarHBondContact O-N 3.24Å; N154-I156 WeakPolarHBondContact OD1-CB 3.13Å; N154-I156 PolarHBondContact OD1-N 2.96Å; N154-V157 HydrophobicContact CB-CB 4.22Å; N154-V157 HydrophobicContact CB-CG2 4.14Å; N154-V157 PolarHBondContact O-N 3.36Å; N154-V157 WeakPolarHBondContact OD1-CG2 3.44Å; N154-V157 PolarHBondContact OD1-N 2.82Å; N154-L158 PolarHBondContact O-N 3Å
155D98.9Very high98.5Very high0 Ų015 Ų150%08%0.082CC..Hα-helixtrans-60.1-30.3179.567.7-68.6000112.2S117 G137 G138 L139 V153 L158 A159S117-D155 WeakPolarHBondContact CB-OD2 3.39Å; S117-D155 PolarHBondContact OG-OD2 2.75Å; G137-D155 WeakPolarHBondContact CA-OD2 3.45Å; G138-D155 PolarHBondContact N-OD1 3.43Å; G138-D155 VanDerWaalsContact N-OD1 3.12Å; G138-D155 PolarHBondContact N-OD2 2.78Å; L139-D155 PolarHBondContact N-OD1 3.13Å; V153-D155 PolarHBondContact O-N 3.43Å; D155-L158 PolarHBondContact O-N 2.92Å; D155-A159 WeakPolarHBondContact O-CB 3.29Å; D155-A159 PolarHBondContact O-N 2.6Å
156I98.9Very high98.4Very high0 Ų017.7 Ų17.70%09%0.086CC..Hα-helixtrans-66.3-49.6179.8-43.7-175.9000110.6H140 N154 L158 A159 I160 Y172 V183 V258 Q260 L298H140-I156 HydrophobicContact CB-CD1 3.58Å; N154-I156 PolarHBondContact O-N 3.24Å; N154-I156 WeakPolarHBondContact OD1-CB 3.13Å; N154-I156 PolarHBondContact OD1-N 2.96Å; I156-L158 VanDerWaalsContact C-N 3.28Å; I156-L158 PolarHBondContact O-N 2.75Å; I156-A159 PolarHBondContact O-N 3.41Å; I156-I160 HydrophobicContact CG2-CD1 3.89Å; I156-I160 HydrophobicContact CG2-CG1 4.49Å; I156-I160 VanDerWaalsContact O-CG1 3.31Å; I156-I160 WeakPolarHBondContact O-CG1 3.24Å; I156-I160 PolarHBondContact O-N 3.12Å; I156-Y172 HydrophobicContact CD1-CE2 4.05Å; I156-Y172 WeakPolarHBondContact CD1-OH 3.15Å; I156-Y172 HydrophobicContact CG2-CD2 3.78Å; I156-Y172 HydrophobicContact CG2-CE2 3.42Å; I156-Y172 VanDerWaalsContact CG2-CE2 3.42Å; I156-V183 HydrophobicContact CB-CG2 3.9Å; I156-V183 HydrophobicContact CD1-CG2 3.87Å; I156-V183 HydrophobicContact CG1-CG2 4.41Å; I156-V183 HydrophobicContact CG2-CG1 4.34Å; I156-V183 HydrophobicContact CG2-CG2 3.93Å; I156-V258 HydrophobicContact CG2-CG1 3.98Å; I156-Q260 HydrophobicContact CD1-CB 4.47Å; I156-Q260 HydrophobicContact CD1-CG 4.02Å; I156-L298 HydrophobicContact CB-CD1 4.27Å; I156-L298 HydrophobicContact CD1-CD1 4.45Å; I156-L298 HydrophobicContact CG1-CD1 3.78Å; I156-L298 HydrophobicContact CG2-CD1 4.18Å
157V98.9Very high98.4Very high1 Ų114.9 Ų14.91%0.0067%0.073CC..Hα-helixtrans-60-43.3178.8172.30000110.3Y67 N154 I160 L161 V183 A186 F187Y67-V157 HydrophobicContact CD1-CB 4.11Å; Y67-V157 HydrophobicContact CD1-CG1 3.75Å; Y67-V157 HydrophobicContact CD2-CG1 3.58Å; Y67-V157 HydrophobicContact CE1-CB 4.32Å; Y67-V157 HydrophobicContact CE1-CG1 4.12Å; Y67-V157 HydrophobicContact CE1-CG2 4.33Å; Y67-V157 HydrophobicContact CE2-CG1 3.98Å; Y67-V157 HydrophobicContact CG-CB 4.31Å; Y67-V157 HydrophobicContact CG-CG1 3.46Å; Y67-V157 VanDerWaalsContact CG-CG1 3.46Å; N154-V157 HydrophobicContact CB-CB 4.22Å; N154-V157 HydrophobicContact CB-CG2 4.14Å; N154-V157 PolarHBondContact O-N 3.36Å; N154-V157 WeakPolarHBondContact OD1-CG2 3.44Å; N154-V157 PolarHBondContact OD1-N 2.82Å; V157-I160 PolarHBondContact O-N 3.31Å; V157-L161 HydrophobicContact CG1-CD1 4.17Å; V157-L161 HydrophobicContact CG1-CG 4.44Å; V157-L161 VanDerWaalsContact O-CG 3.29Å; V157-L161 WeakPolarHBondContact O-CG 3.21Å; V157-L161 PolarHBondContact O-N 2.97Å; V157-V183 HydrophobicContact CG2-CG2 4.39Å; V157-A186 HydrophobicContact CB-CB 4.44Å; V157-A186 HydrophobicContact CG1-CB 3.93Å; V157-A186 HydrophobicContact CG2-CB 3.55Å; V157-F187 HydrophobicContact CB-CE2 4.36Å; V157-F187 HydrophobicContact CG1-CE2 4.16Å; V157-F187 HydrophobicContact CG1-CZ 3.95Å; V157-F187 HydrophobicContact CG2-CE2 4.06Å
158L98.9Very high98.2Very high7 Ų717.4 Ų17.44%0.0379%0.085CC..Hα-helixtrans-64-42.6177.9-65.6171000112.1E63 M64 K66 T114 V118 V153 N154 D155 I156 L161 E162E63-L158 WeakPolarHBondContact O-CD2 3.33Å; M64-L158 HydrophobicContact CG-CD1 4.5Å; K66-L158 HydrophobicContact CB-CD2 4.08Å; T114-L158 HydrophobicContact CG2-CD1 3.49Å; T114-L158 VanDerWaalsContact CG2-CD1 3.49Å; V118-L158 HydrophobicContact CG2-CB 3.98Å; V153-L158 HydrophobicContact CG1-CD1 3.89Å; N154-L158 PolarHBondContact O-N 3Å; D155-L158 PolarHBondContact O-N 2.92Å; I156-L158 VanDerWaalsContact C-N 3.28Å; I156-L158 PolarHBondContact O-N 2.75Å; L158-L161 PolarHBondContact O-N 2.88Å; L158-E162 PolarHBondContact O-N 2.98Å
159A98.9Very high98.1Very high0 Ų019 Ų190%09%0.088CC..Hα-helixtrans-64.1-41.217500000112.3A121 D155 I156 E162 L163 L296A121-A159 HydrophobicContact CB-CB 4.14Å; A121-A159 WeakPolarHBondContact CB-O 3.45Å; D155-A159 WeakPolarHBondContact O-CB 3.29Å; D155-A159 PolarHBondContact O-N 2.6Å; I156-A159 PolarHBondContact O-N 3.41Å; A159-E162 WeakPolarHBondContact O-CB 3.42Å; A159-E162 PolarHBondContact O-N 3.49Å; A159-L163 WeakPolarHBondContact O-CG 3.27Å; A159-L163 PolarHBondContact O-N 3.08Å; A159-L296 HydrophobicContact CB-CD2 3.69Å
160I98.9Very high98.2Very high0 Ų018.4 Ų18.40%08%0.083CC..Hα-helixtrans-65-42.4176.1-68.7167.6000110.8I156 V157 E162 L163 L164 V170 Y172 V183 F187 V193 V258I156-I160 HydrophobicContact CG2-CD1 3.89Å; I156-I160 HydrophobicContact CG2-CG1 4.49Å; I156-I160 VanDerWaalsContact O-CG1 3.31Å; I156-I160 WeakPolarHBondContact O-CG1 3.24Å; I156-I160 PolarHBondContact O-N 3.12Å; V157-I160 PolarHBondContact O-N 3.31Å; I160-E162 PolarHBondContact O-N 3.38Å; I160-L163 PolarHBondContact O-N 2.82Å; I160-L163 VanDerWaalsContact O-N 3.17Å; I160-L164 HydrophobicContact CG2-CD1 4.01Å; I160-L164 HydrophobicContact CG2-CG 4.19Å; I160-L164 WeakPolarHBondContact O-CB 3.48Å; I160-L164 VanDerWaalsContact O-CG 3.26Å; I160-L164 WeakPolarHBondContact O-CG 3.49Å; I160-L164 PolarHBondContact O-N 2.81Å; I160-V170 HydrophobicContact CG1-CG1 4.21Å; I160-V170 HydrophobicContact CG2-CB 4.27Å; I160-V170 HydrophobicContact CG2-CG1 4.13Å; I160-Y172 HydrophobicContact CD1-CD2 4.19Å; I160-Y172 HydrophobicContact CD1-CG 4.32Å; I160-V183 HydrophobicContact CD1-CG1 3.94Å; I160-F187 HydrophobicContact CB-CE2 3.98Å; I160-F187 HydrophobicContact CB-CZ 3.8Å; I160-F187 HydrophobicContact CD1-CD2 4.48Å; I160-F187 HydrophobicContact CD1-CE2 3.82Å; I160-F187 HydrophobicContact CG2-CE1 4.05Å; I160-F187 HydrophobicContact CG2-CE2 3.74Å; I160-F187 HydrophobicContact CG2-CZ 3.42Å; I160-F187 VanDerWaalsContact CG2-CZ 3.42Å; I160-V193 HydrophobicContact CD1-CG1 4.49Å; I160-V193 HydrophobicContact CG2-CG1 4.17Å; I160-V193 HydrophobicContact CG2-CG2 3.58Å; I160-V258 HydrophobicContact CG1-CB 4.46Å; I160-V258 HydrophobicContact CG1-CG2 3.83Å
161L98.7Very high98.3Very high58 Ų5817.2 Ų17.230%0.3048%0.078SC..Hα-helixtrans-59.1-37.9174.8-73173.1000111.8V157 L158 L164 F187V157-L161 HydrophobicContact CG1-CD1 4.17Å; V157-L161 HydrophobicContact CG1-CG 4.44Å; V157-L161 VanDerWaalsContact O-CG 3.29Å; V157-L161 WeakPolarHBondContact O-CG 3.21Å; V157-L161 PolarHBondContact O-N 2.97Å; L158-L161 PolarHBondContact O-N 2.88Å; L161-L164 HydrophobicContact CD2-CD1 4.43Å; L161-F187 HydrophobicContact CD2-CE1 4.21Å; L161-F187 HydrophobicContact CD2-CZ 4.5Å; L161-F187 HydrophobicContact CG-CZ 4.43Å
162E98.8Very high98.3Very high3 Ų317 Ų171%0.0148%0.076CC..Hα-helixtrans-66-47.4173.4-167.163.2-152.200111.1K66 A121 V122 N125 L158 A159 I160 L164 K165 D387 A388K66-E162 IonicContact NZ-OE2 2.8Å; A121-E162 HydrophobicContact CB-CB 3.93Å; A121-E162 HydrophobicContact CB-CG 4.08Å; V122-E162 HydrophobicContact CG2-CG 3.77Å; N125-E162 PolarHBondContact ND2-O 3.2Å; L158-E162 PolarHBondContact O-N 2.98Å; A159-E162 WeakPolarHBondContact O-CB 3.42Å; A159-E162 PolarHBondContact O-N 3.49Å; I160-E162 PolarHBondContact O-N 3.38Å; E162-L164 VanDerWaalsContact C-N 3.29Å; E162-L164 PolarHBondContact O-N 3.44Å; E162-K165 VanDerWaalsContact O-CB 3.3Å; E162-K165 WeakPolarHBondContact O-CB 3.42Å; E162-K165 WeakPolarHBondContact O-CG 3.38Å; E162-K165 PolarHBondContact O-N 2.94Å; E162-K165 VanDerWaalsContact O-N 3.15Å; E162-K165 IonicContact OE1-NZ 2.82Å; E162-K165 PolarHBondContact OE1-NZ 3.26Å; E162-K165 VanDerWaalsContact OE2-CE 3.28Å; E162-K165 WeakPolarHBondContact OE2-CE 3.46Å; E162-K165 IonicContact OE2-NZ 2.71Å; E162-K165 PolarHBondContact OE2-NZ 3.25Å; E162-D387 WeakPolarHBondContact OE1-CA 3.23Å; E162-A388 PolarHBondContact OE1-N 3.49Å; E162-A388 VanDerWaalsContact OE1-N 3.09Å
163L98.6Very high98.3Very high1 Ų117 Ų171%0.0058%0.076CC..Hα-helixtrans-59.3-38.2176.3-70.3171.7000112.6A121 L124 N125 A159 I160 K165 Y166 H167 V170 A256 V258A121-L163 HydrophobicContact CB-CD2 4.12Å; A121-L163 HydrophobicContact CB-CG 3.94Å; L124-L163 HydrophobicContact CB-CD2 4.1Å; L124-L163 HydrophobicContact CD1-CD2 4.38Å; N125-L163 WeakPolarHBondContact OD1-CA 3.29Å; A159-L163 WeakPolarHBondContact O-CG 3.27Å; A159-L163 PolarHBondContact O-N 3.08Å; I160-L163 PolarHBondContact O-N 2.82Å; I160-L163 VanDerWaalsContact O-N 3.17Å; L163-K165 PolarHBondContact O-N 3.06Å; L163-Y166 PolarHBondContact O-N 2.92Å; L163-H167 WeakPolarHBondContact O-CB 3.38Å; L163-H167 PolarHBondContact O-CD2 3.23Å; L163-H167 PolarHBondContact O-N 3.15Å; L163-V170 HydrophobicContact CB-CG2 3.81Å; L163-V170 HydrophobicContact CD1-CG1 4.11Å; L163-A256 HydrophobicContact CD1-CB 4.45Å; L163-A256 HydrophobicContact CD2-CB 4.45Å; L163-V258 HydrophobicContact CD1-CG2 3.51Å
164L98.2Very high98.3Very high24 Ų2416.9 Ų16.913%0.1268%0.075CC..THydrogen-bonded Turntrans-63.5-10.2179.1-75.6171.6000113.9I160 L161 E162 Y166 V170 F187 R192 V193I160-L164 HydrophobicContact CG2-CD1 4.01Å; I160-L164 HydrophobicContact CG2-CG 4.19Å; I160-L164 WeakPolarHBondContact O-CB 3.48Å; I160-L164 VanDerWaalsContact O-CG 3.26Å; I160-L164 WeakPolarHBondContact O-CG 3.49Å; I160-L164 PolarHBondContact O-N 2.81Å; L161-L164 HydrophobicContact CD2-CD1 4.43Å; E162-L164 VanDerWaalsContact C-N 3.29Å; E162-L164 PolarHBondContact O-N 3.44Å; L164-Y166 VanDerWaalsContact C-N 3.32Å; L164-V170 HydrophobicContact CD2-CB 4.48Å; L164-V170 HydrophobicContact CD2-CG2 3.87Å; L164-V170 HydrophobicContact CG-CG2 4.1Å; L164-F187 HydrophobicContact CD1-CE1 4.12Å; L164-R192 HydrophobicContact CD2-CB 3.88Å; L164-R192 PolarHBondContact O-NH2 2.87Å; L164-V193 HydrophobicContact CD1-CG2 3.72Å; L164-V193 HydrophobicContact CD2-CG2 3.99Å; L164-V193 HydrophobicContact CG-CG2 4.21Å
165K97.3Very high98.3Very high33 Ų3316.9 Ų16.914%0.1438%0.075CC..THydrogen-bonded Turntrans-67.7-33.3171.1-64.7178.2175.9172.40112.7E162 L163 I384 E386 D387E162-K165 VanDerWaalsContact O-CB 3.3Å; E162-K165 WeakPolarHBondContact O-CB 3.42Å; E162-K165 WeakPolarHBondContact O-CG 3.38Å; E162-K165 PolarHBondContact O-N 2.94Å; E162-K165 VanDerWaalsContact O-N 3.15Å; E162-K165 IonicContact OE1-NZ 2.82Å; E162-K165 PolarHBondContact OE1-NZ 3.26Å; E162-K165 VanDerWaalsContact OE2-CE 3.28Å; E162-K165 WeakPolarHBondContact OE2-CE 3.46Å; E162-K165 IonicContact OE2-NZ 2.71Å; E162-K165 PolarHBondContact OE2-NZ 3.25Å; L163-K165 PolarHBondContact O-N 3.06Å; K165-I384 HydrophobicContact CB-CG2 4.21Å; K165-E386 PolarHBondContact NZ-O 2.9Å; K165-D387 VanDerWaalsContact NZ-CA 3.34Å
166Y97.1Very high98.3Very high100 Ų10016.9 Ų16.939%0.3928%0.075SC..THydrogen-bonded Turntrans-117.6-23.8-176.1-63.3-96.8000112.9N125 L163 L164 I384 D387N125-Y166 HydrophobicContact CB-CD2 3.53Å; N125-Y166 HydrophobicContact CB-CE2 3.88Å; N125-Y166 HydrophobicContact CB-CG 4.07Å; N125-Y166 WeakPolarHBondContact ND2-CD2 3.36Å; L163-Y166 PolarHBondContact O-N 2.92Å; L164-Y166 VanDerWaalsContact C-N 3.32Å; Y166-I384 HydrophobicContact CD1-CD1 4.25Å; Y166-I384 HydrophobicContact CE1-CD1 4.06Å; Y166-I384 HydrophobicContact CE1-CG2 4.17Å; Y166-I384 HydrophobicContact CE2-CG2 4.06Å; Y166-D387 VanDerWaalsContact CE2-OD1 3.23Å; Y166-D387 WeakPolarHBondContact CE2-OD1 3.42Å; Y166-D387 PolarHBondContact OH-OD1 3.09Å; Y166-D387 PolarHBondContact OH-OD2 2.93Å
167H96.7Very high98.3Very high23 Ų2316.9 Ų16.911%0.1068%0.075CC..  trans-103.7120.1-177.6-64.3-71.2000111N125 L163 R169 V170 R192 S255 A256N125-H167 PolarHBondContact OD1-CD2 2.97Å; N125-H167 VanDerWaalsContact OD1-CD2 3.27Å; L163-H167 WeakPolarHBondContact O-CB 3.38Å; L163-H167 PolarHBondContact O-CD2 3.23Å; L163-H167 PolarHBondContact O-N 3.15Å; H167-R169 VanDerWaalsContact C-N 3.27Å; H167-R169 PolarHBondContact O-N 3.17Å; H167-V170 HydrophobicContact CB-CG2 3.93Å; H167-R192 PolarHBondContact O-NH2 3.39Å; H167-S255 WeakPolarHBondContact CB-OG 3.24Å; H167-S255 PolarHBondContact CE1-O 3.29Å; H167-S255 PolarHBondContact ND1-O 2.88Å; H167-S255 PolarHBondContact ND1-OG 3.12Å; H167-A256 HydrophobicContact CB-CB 4.22Å
168Q94.4Very high98.3Very high53 Ų5317.4 Ų17.425%0.2488%0.078CC..SBendtrans-62.5-38.3178-178.56164.500111.7R192 Q380Q168-R192 PolarHBondContact O-NE 3.26Å; Q168-Q380 PolarHBondContact OE1-O 3.45Å
169R97.5Very high98.3Very high49 Ų4917.2 Ų17.219%0.1858%0.076CC..  trans-132.4121.1-178.9-69.7-176.6-58.5-84.5-0.3110.2H167 R192 Y252 Q253 S255H167-R169 VanDerWaalsContact C-N 3.27Å; H167-R169 PolarHBondContact O-N 3.17Å; R169-R192 WeakPolarHBondContact CA-O 3.35Å; R169-Y252 HydrophobicContact CB-CE1 4.05Å; R169-Y252 HydrophobicContact CB-CE2 4.26Å; R169-Y252 WeakPolarHBondContact CD-O 3.16Å; R169-Y252 HydrophobicContact CG-CE2 4.08Å; R169-Y252 PolarHBondContact NE-O 3.1Å; R169-Q253 VanDerWaalsContact CZ-O 3.27Å; R169-Q253 PolarHBondContact NE-O 2.87Å; R169-Q253 PolarHBondContact NH2-O 3.25Å; R169-S255 PolarHBondContact O-N 2.95Å; R169-S255 PolarHBondContact O-OG 3.3Å
170V98.9Very high98.3Very high0 Ų017.2 Ų17.20%08%0.077CC..EExtended strand (participates in β ladder)trans-107.9133.5172.4-178.70000108I160 L163 L164 H167 R192 V193 M194 Y252 V258I160-V170 HydrophobicContact CG1-CG1 4.21Å; I160-V170 HydrophobicContact CG2-CB 4.27Å; I160-V170 HydrophobicContact CG2-CG1 4.13Å; L163-V170 HydrophobicContact CB-CG2 3.81Å; L163-V170 HydrophobicContact CD1-CG1 4.11Å; L164-V170 HydrophobicContact CD2-CB 4.48Å; L164-V170 HydrophobicContact CD2-CG2 3.87Å; L164-V170 HydrophobicContact CG-CG2 4.1Å; H167-V170 HydrophobicContact CB-CG2 3.93Å; V170-R192 PolarHBondContact N-O 2.8Å; V170-V193 VanDerWaalsContact O-CA 3.31Å; V170-V193 WeakPolarHBondContact O-CA 3.31Å; V170-M194 PolarHBondContact O-N 3.17Å; V170-Y252 VanDerWaalsContact O-CE1 3.32Å; V170-Y252 WeakPolarHBondContact O-CE1 3.25Å; V170-Y252 PolarHBondContact O-OH 3.46Å; V170-V258 HydrophobicContact CG1-CG2 4.15Å
171L98.9Very high98.3Very high0 Ų017.8 Ų17.80%08%0.08CC..EExtended strand (participates in β ladder)trans-102.1126173.2171.664.3000108.8I173 M194 V196 M245 V248 M249 Y252 P254 A256 V257 V258L171-I173 HydrophobicContact CD1-CG1 4.33Å; L171-I173 HydrophobicContact CD2-CD1 3.93Å; L171-I173 HydrophobicContact CD2-CG1 4.04Å; L171-I173 HydrophobicContact CG-CD1 4.24Å; L171-I173 HydrophobicContact CG-CG1 3.84Å; L171-M194 HydrophobicContact CD1-CB 4.11Å; L171-M194 HydrophobicContact CD1-CG 4.1Å; L171-M194 HydrophobicContact CD1-SD 4.36Å; L171-V196 HydrophobicContact CD1-CG2 3.76Å; L171-M245 HydrophobicContact CD2-CE 3.83Å; L171-V248 HydrophobicContact CD1-CG1 3.64Å; L171-V248 HydrophobicContact CD2-CG1 3.84Å; L171-V248 HydrophobicContact CG-CG1 4.42Å; L171-M249 HydrophobicContact CD2-CE 3.56Å; L171-M249 HydrophobicContact CD2-SD 3.87Å; L171-Y252 HydrophobicContact CB-CD1 4.23Å; L171-Y252 HydrophobicContact CB-CE1 4.08Å; L171-Y252 HydrophobicContact CD1-CD1 4.38Å; L171-P254 HydrophobicContact CB-CB 3.56Å; L171-P254 HydrophobicContact CB-CG 3.72Å; L171-P254 HydrophobicContact CD2-CG 3.9Å; L171-P254 HydrophobicContact CG-CG 4.46Å; L171-A256 PolarHBondContact N-O 3.33Å; L171-V257 HydrophobicContact CB-CG2 4.45Å; L171-V257 HydrophobicContact CD2-CG2 4.49Å; L171-V257 CarbonylContact O-C 3.5Å; L171-V257 WeakPolarHBondContact O-CA 3.42Å; L171-V258 PolarHBondContact O-N 3.07Å
172Y98.9Very high98.3Very high2 Ų215 Ų151%0.0087%0.065CC..EExtended strand (participates in β ladder)trans-103.8129.2170.8175.4-110.6000109.7I156 I160 D174 V183 M194 T195 V196 V258 Q260I156-Y172 HydrophobicContact CD1-CE2 4.05Å; I156-Y172 WeakPolarHBondContact CD1-OH 3.15Å; I156-Y172 HydrophobicContact CG2-CD2 3.78Å; I156-Y172 HydrophobicContact CG2-CE2 3.42Å; I156-Y172 VanDerWaalsContact CG2-CE2 3.42Å; I160-Y172 HydrophobicContact CD1-CD2 4.19Å; I160-Y172 HydrophobicContact CD1-CG 4.32Å; Y172-D174 HydrophobicContact CE1-CB 3.69Å; Y172-D174 VanDerWaalsContact OH-CG 3.31Å; Y172-D174 PolarHBondContact OH-OD2 2.93Å; Y172-V183 HydrophobicContact CD1-CB 4.11Å; Y172-V183 HydrophobicContact CD1-CG1 3.59Å; Y172-V183 HydrophobicContact CD2-CG1 4.22Å; Y172-V183 HydrophobicContact CE1-CB 3.77Å; Y172-V183 HydrophobicContact CE1-CG1 3.75Å; Y172-V183 HydrophobicContact CE1-CG2 4.05Å; Y172-V183 HydrophobicContact CE2-CG1 4.36Å; Y172-V183 HydrophobicContact CE2-CG2 4.41Å; Y172-V183 HydrophobicContact CG-CG1 3.83Å; Y172-M194 PolarHBondContact N-O 3.37Å; Y172-T195 HydrophobicContact CD1-CG2 3.97Å; Y172-V196 PolarHBondContact O-N 2.9Å; Y172-V258 CarbonylContact C-O 3.55Å; Y172-V258 WeakPolarHBondContact CA-O 3.39Å; Y172-V258 HydrophobicContact CD2-CB 4.1Å; Y172-V258 HydrophobicContact CD2-CG1 4.02Å; Y172-V258 HydrophobicContact CE2-CG1 4.34Å; Y172-Q260 HydrophobicContact CE2-CB 3.91Å; Y172-Q260 WeakPolarHBondContact OH-CB 3.44Å
173I98.9Very high98.3Very high0 Ų014.9 Ų14.90%07%0.065CC..EExtended strand (participates in β ladder)trans-125131.5179.1-49.7168.4000107.8L171 I175 V196 F241 M245 V257 V258 L259 Q260 I288L171-I173 HydrophobicContact CD1-CG1 4.33Å; L171-I173 HydrophobicContact CD2-CD1 3.93Å; L171-I173 HydrophobicContact CD2-CG1 4.04Å; L171-I173 HydrophobicContact CG-CD1 4.24Å; L171-I173 HydrophobicContact CG-CG1 3.84Å; I173-I175 HydrophobicContact CG2-CG2 4.5Å; I173-V196 CarbonylContact C-O 3.57Å; I173-V196 WeakPolarHBondContact CA-O 3.37Å; I173-F241 HydrophobicContact CG2-CE2 4.04Å; I173-F241 HydrophobicContact CG2-CZ 4.26Å; I173-M245 HydrophobicContact CD1-CE 3.43Å; I173-M245 VanDerWaalsContact CD1-CE 3.43Å; I173-M245 HydrophobicContact CG1-CE 3.67Å; I173-M245 HydrophobicContact CG2-CE 4.45Å; I173-M245 HydrophobicContact CG2-SD 4.31Å; I173-V257 HydrophobicContact CD1-CG1 3.67Å; I173-V257 HydrophobicContact CG1-CG1 4.25Å; I173-V258 PolarHBondContact N-O 3.44Å; I173-L259 HydrophobicContact CB-CD1 3.69Å; I173-L259 HydrophobicContact CG2-CD1 3.68Å; I173-L259 WeakPolarHBondContact O-CA 3.38Å; I173-Q260 PolarHBondContact O-N 2.97Å; I173-I288 HydrophobicContact CD1-CB 4.5Å; I173-I288 HydrophobicContact CD1-CD1 3.41Å; I173-I288 VanDerWaalsContact CD1-CD1 3.41Å; I173-I288 HydrophobicContact CD1-CG1 3.65Å; I173-I288 HydrophobicContact CD1-CG2 4.01Å
174D98.9Very high98.3Very high0 Ų015.4 Ų15.40%07%0.067CC..EExtended strand (participates in β ladder)trans-127.2117.5-175.4-160.4-36.8000110.2H140 Y172 D176 G180 V196 F198 Q260H140-D174 IonicContact CE1-OD1 3.16Å; H140-D174 IonicContact CE1-OD2 3.77Å; H140-D174 IonicContact CG-OD2 3.92Å; H140-D174 IonicContact ND1-OD1 2.77Å; H140-D174 IonicContact ND1-OD2 2.7Å; H140-D174 PolarHBondContact ND1-OD2 2.9Å; Y172-D174 HydrophobicContact CE1-CB 3.69Å; Y172-D174 VanDerWaalsContact OH-CG 3.31Å; Y172-D174 PolarHBondContact OH-OD2 2.93Å; D174-D176 WeakPolarHBondContact OD1-CB 3.33Å; D174-D176 PolarHBondContact OD1-N 2.87Å; D174-G180 VanDerWaalsContact OD2-CA 3.24Å; D174-G180 WeakPolarHBondContact OD2-CA 3.35Å; D174-V196 PolarHBondContact N-O 2.6Å; D174-F198 PolarHBondContact O-N 3.25Å; D174-F198 VanDerWaalsContact O-N 3.13Å; D174-Q260 PolarHBondContact OD1-OE1 3.47Å
175I98.9Very high98.3Very high0 Ų019.2 Ų19.20%08%0.084CC..  trans-113.111.4177.865.8179.6000112.6I173 Y237 F241 L259 Q260 S265 H281 C284I173-I175 HydrophobicContact CG2-CG2 4.5Å; I175-Y237 WeakPolarHBondContact CG2-OH 3.48Å; I175-F241 HydrophobicContact CG2-CE2 3.85Å; I175-L259 HydrophobicContact CG2-CD1 4.46Å; I175-Q260 VanDerWaalsContact CG1-O 3.29Å; I175-Q260 WeakPolarHBondContact CG1-O 3.21Å; I175-Q260 PolarHBondContact N-O 3.33Å; I175-S265 WeakPolarHBondContact O-CB 3.03Å; I175-S265 PolarHBondContact O-OG 2.88Å; I175-S265 VanDerWaalsContact O-OG 3.13Å; I175-H281 WeakPolarHBondContact CD1-CE1 3.38Å; I175-H281 WeakPolarHBondContact CD1-NE2 3.23Å; I175-C284 HydrophobicContact CD1-CB 4.03Å; I175-C284 HydrophobicContact CG2-CB 4.41Å
176D98.9Very high98.4Very high0 Ų019 Ų190%09%0.089CC..SBendtrans-58.5151.2164.8-157.8-79.4000110.3H140 D174 H178 F198 Q260 G262 D264 G301H140-D176 VanDerWaalsContact CE1-CB 3.44Å; H140-D176 WeakPolarHBondContact CE1-CB 3.11Å; H140-D176 VanDerWaalsContact CE1-CG 3.42Å; H140-D176 IonicContact CE1-OD1 3.03Å; H140-D176 IonicContact CE1-OD2 3.33Å; H140-D176 IonicContact NE2-OD1 3.71Å; H140-D176 IonicContact NE2-OD2 2.96Å; D174-D176 WeakPolarHBondContact OD1-CB 3.33Å; D174-D176 PolarHBondContact OD1-N 2.87Å; D176-H178 PolarHBondContact O-N 3.05Å; D176-H178 WeakPolarHBondContact OD1-CB 3.36Å; D176-H178 IonicContact OD1-CG 3.67Å; D176-H178 PolarHBondContact OD1-N 3.28Å; D176-H178 IonicContact OD1-ND1 2.61Å; D176-H178 PolarHBondContact OD1-ND1 2.85Å; D176-F198 VanDerWaalsContact O-O 3.11Å; D176-Q260 PolarHBondContact OD2-NE2 3.1Å; D176-G262 WeakPolarHBondContact OD2-CA 3.42Å; D176-D264 VanDerWaalsContact CG-OD1 3.26Å; D176-D264 VanDerWaalsContact OD1-OD1 3.1Å; D176-G301 WeakPolarHBondContact OD2-CA 3.43Å; D176-G301 PolarHBondContact OD2-N 2.74Å
177I98.8Very high98.5Very high0 Ų015 Ų150%07%0.073CC..SBendtrans-68.8-24.5176.5-161.3175.8000112H199 K200 Y204 D264 F274I177-H199 CarbonylContact O-C 3.56Å; I177-H199 WeakPolarHBondContact O-CA 3.38Å; I177-H199 VanDerWaalsContact O-CB 3.25Å; I177-H199 WeakPolarHBondContact O-CB 3.38Å; I177-K200 HydrophobicContact CD1-CB 4.48Å; I177-K200 HydrophobicContact CG1-CB 4.03Å; I177-K200 PolarHBondContact O-N 2.8Å; I177-Y204 HydrophobicContact CG1-CE1 4.48Å; I177-Y204 HydrophobicContact CG2-CE1 4.22Å; I177-D264 HydrophobicContact CG2-CB 3.97Å; I177-D264 VanDerWaalsContact CG2-CG 3.44Å; I177-D264 WeakPolarHBondContact CG2-OD1 3.31Å; I177-D264 PolarHBondContact N-OD1 2.58Å; I177-D264 VanDerWaalsContact N-OD1 3.07Å; I177-F274 HydrophobicContact CD1-CB 4.07Å; I177-F274 HydrophobicContact CD1-CD1 3.68Å; I177-F274 HydrophobicContact CD1-CD2 4.21Å; I177-F274 HydrophobicContact CD1-CE1 4.14Å; I177-F274 HydrophobicContact CD1-CG 3.71Å; I177-F274 HydrophobicContact CG1-CD1 3.95Å; I177-F274 HydrophobicContact CG1-CD2 3.92Å; I177-F274 HydrophobicContact CG1-CE1 3.98Å; I177-F274 HydrophobicContact CG1-CE2 3.92Å; I177-F274 HydrophobicContact CG1-CG 3.91Å; I177-F274 HydrophobicContact CG1-CZ 3.93Å
178H98.9Very high98.6Very high13 Ų1317.1 Ų17.16%0.068%0.081CC..SBendtrans-88.8149.9177.1-51.788.2000111H141 D176 G180 Y204 F205 D264H141-H178 WeakPolarHBondContact NE2-CB 3.36Å; H141-H178 AromaticContact NE2-CG 3.9Å; D176-H178 PolarHBondContact O-N 3.05Å; D176-H178 WeakPolarHBondContact OD1-CB 3.36Å; D176-H178 IonicContact OD1-CG 3.67Å; D176-H178 PolarHBondContact OD1-N 3.28Å; D176-H178 IonicContact OD1-ND1 2.61Å; D176-H178 PolarHBondContact OD1-ND1 2.85Å; H178-G180 PolarHBondContact O-N 3.39Å; H178-Y204 AromaticContact CD2-CE1 3.44Å; H178-Y204 VanDerWaalsContact CD2-CE1 3.44Å; H178-Y204 WeakPolarHBondContact CD2-CE1 3.45Å; H178-Y204 AromaticContact NE2-CE1 3.55Å; H178-Y204 AromaticContact NE2-CZ 3.78Å; H178-F205 PolarHBondContact CD2-O 2.96Å; H178-D264 IonicContact CE1-OD2 3.76Å; H178-D264 PolarHBondContact CE1-OD2 2.86Å; H178-D264 IonicContact ND1-OD2 3.28Å; H178-D264 PolarHBondContact ND1-OD2 3.46Å; H178-D264 VanDerWaalsContact ND1-OD2 3.07Å
179H98.9Very high98.7Very high2 Ų219.2 Ų19.21%0.00910%0.097CC..  trans-64.9131174.3174.7-131.9000110.7H141 D181 E184 H199 P206 T208 G209 N225H141-H179 PolarHBondContact CE1-O 3.27Å; H141-H179 VanDerWaalsContact CE1-O 3.26Å; H179-D181 PolarHBondContact O-N 3.23Å; H179-E184 IonicContact CE1-OE1 3.83Å; H179-E184 PolarHBondContact CE1-OE1 3.06Å; H179-E184 IonicContact CE1-OE2 2.64Å; H179-E184 IonicContact NE2-OE1 3.37Å; H179-E184 IonicContact NE2-OE2 3.28Å; H179-E184 PolarHBondContact NE2-OE2 3.46Å; H179-H199 HydrophobicContact CB-CB 4.3Å; H179-H199 AromaticContact CD2-CE1 3.43Å; H179-H199 PolarHBondContact CD2-CE1 2.95Å; H179-H199 VanDerWaalsContact CD2-CE1 3.43Å; H179-H199 AromaticContact CD2-ND1 3.61Å; H179-H199 AromaticContact CG-CE1 3.83Å; H179-H199 AromaticContact CG-ND1 3.99Å; H179-P206 HydrophobicContact CB-CG 3.98Å; H179-T208 PolarHBondContact ND1-OG1 3.03Å; H179-G209 PolarHBondContact ND1-N 2.98Å; H179-N225 PolarHBondContact CD2-OD1 3.45Å; H179-N225 PolarHBondContact NE2-OD1 3.07Å; H179-N225 VanDerWaalsContact NE2-OD1 3.15Å
180G98.7Very high98.7Very high1 Ų118.5 Ų18.51%0.0110%0.099CC..  trans-70.752.9176.400000114.6H140 D174 H178 G182 V183 E184H140-G180 WeakPolarHBondContact ND1-CA 3.21Å; D174-G180 VanDerWaalsContact OD2-CA 3.24Å; D174-G180 WeakPolarHBondContact OD2-CA 3.35Å; H178-G180 PolarHBondContact O-N 3.39Å; G180-G182 PolarHBondContact O-N 3.17Å; G180-V183 PolarHBondContact O-N 3.24Å; G180-E184 PolarHBondContact O-N 3.34Å
181D98.8Very high98.6Very high12 Ų1221.3 Ų21.36%0.06411%0.114CC..Hα-helixtrans-66-34.3-16669.8-28.8000114.6H141 K143 H179 E185 P206 T208H141-D181 WeakPolarHBondContact CA-OD1 3.45Å; H141-D181 IonicContact CE1-OD1 2.74Å; H141-D181 IonicContact CG-OD1 3.83Å; H141-D181 IonicContact ND1-OD1 3.1Å; H141-D181 PolarHBondContact ND1-OD1 2.9Å; K143-D181 WeakPolarHBondContact CE-OD2 3.39Å; K143-D181 PolarHBondContact NZ-O 3.29Å; K143-D181 IonicContact NZ-OD1 2.65Å; K143-D181 IonicContact NZ-OD2 3.07Å; K143-D181 PolarHBondContact NZ-OD2 2.94Å; H179-D181 PolarHBondContact O-N 3.23Å; D181-E185 VanDerWaalsContact O-CB 3.22Å; D181-E185 WeakPolarHBondContact O-CB 3.28Å; D181-E185 PolarHBondContact O-N 3.41Å; D181-P206 HydrophobicContact CB-CB 4.49Å; D181-P206 HydrophobicContact CB-CG 3.82Å; D181-P206 WeakPolarHBondContact OD2-CB 3.32Å; D181-T208 WeakPolarHBondContact CB-OG1 3.32Å
182G98.8Very high98.5Very high0 Ų023.2 Ų23.20%012%0.121CC..Hα-helixtrans-68.8-36.8176.700000112.8H140 G180 A186H140-G182 WeakPolarHBondContact O-CA 3.4Å; H140-G182 PolarHBondContact O-N 3.49Å; G180-G182 PolarHBondContact O-N 3.17Å; G182-A186 WeakPolarHBondContact O-CB 3.32Å; G182-A186 PolarHBondContact O-N 2.57Å
183V98.9Very high98.5Very high0 Ų023.1 Ų23.10%012%0.121CC..Hα-helixtrans-73.7-43.3175.4-172.50000110.6H140 I156 V157 I160 Y172 G180 A186 F187 T195H140-V183 HydrophobicContact CB-CG2 4Å; H140-V183 PolarHBondContact O-N 3.28Å; I156-V183 HydrophobicContact CB-CG2 3.9Å; I156-V183 HydrophobicContact CD1-CG2 3.87Å; I156-V183 HydrophobicContact CG1-CG2 4.41Å; I156-V183 HydrophobicContact CG2-CG1 4.34Å; I156-V183 HydrophobicContact CG2-CG2 3.93Å; V157-V183 HydrophobicContact CG2-CG2 4.39Å; I160-V183 HydrophobicContact CD1-CG1 3.94Å; Y172-V183 HydrophobicContact CD1-CB 4.11Å; Y172-V183 HydrophobicContact CD1-CG1 3.59Å; Y172-V183 HydrophobicContact CD2-CG1 4.22Å; Y172-V183 HydrophobicContact CE1-CB 3.77Å; Y172-V183 HydrophobicContact CE1-CG1 3.75Å; Y172-V183 HydrophobicContact CE1-CG2 4.05Å; Y172-V183 HydrophobicContact CE2-CG1 4.36Å; Y172-V183 HydrophobicContact CE2-CG2 4.41Å; Y172-V183 HydrophobicContact CG-CG1 3.83Å; G180-V183 PolarHBondContact O-N 3.24Å; V183-A186 PolarHBondContact O-N 2.77Å; V183-F187 HydrophobicContact CG1-CD2 4.07Å; V183-F187 HydrophobicContact CG1-CE2 4.22Å; V183-F187 WeakPolarHBondContact O-CD2 3.43Å; V183-F187 PolarHBondContact O-N 3.06Å; V183-T195 HydrophobicContact CG1-CG2 4.21Å
184E98.9Very high98.5Very high11 Ų1123.1 Ų23.15%0.05112%0.121CC..Hα-helixtrans-58.8-47.7174.9176.1165116.300111.7H179 G180 A186 F187 Y188 A223 N225H179-E184 IonicContact CE1-OE1 3.83Å; H179-E184 PolarHBondContact CE1-OE1 3.06Å; H179-E184 IonicContact CE1-OE2 2.64Å; H179-E184 IonicContact NE2-OE1 3.37Å; H179-E184 IonicContact NE2-OE2 3.28Å; H179-E184 PolarHBondContact NE2-OE2 3.46Å; G180-E184 PolarHBondContact O-N 3.34Å; E184-A186 PolarHBondContact O-N 3.19Å; E184-F187 CarbonylContact O-C 3.57Å; E184-F187 PolarHBondContact O-N 3.36Å; E184-Y188 HydrophobicContact CG-CD2 3.67Å; E184-Y188 HydrophobicContact CG-CE2 3.99Å; E184-Y188 WeakPolarHBondContact O-CA 3.47Å; E184-Y188 WeakPolarHBondContact O-CB 3.32Å; E184-Y188 PolarHBondContact O-N 3.23Å; E184-A223 HydrophobicContact CG-CB 4.3Å; E184-N225 PolarHBondContact OE1-ND2 2.92Å; E184-N225 PolarHBondContact OE2-ND2 3.29Å; E184-N225 PolarHBondContact OE2-OD1 3.06Å
185E98.8Very high98.5Very high104 Ų10423.5 Ų23.549%0.48612%0.123SC..Hα-helixtrans-60.1-44.5178.7-177.1-176.4103.500112.1K143 D181 F187 Y188K143-E185 IonicContact NZ-OE2 2.67Å; D181-E185 VanDerWaalsContact O-CB 3.22Å; D181-E185 WeakPolarHBondContact O-CB 3.28Å; D181-E185 PolarHBondContact O-N 3.41Å; E185-F187 PolarHBondContact O-N 3.42Å; E185-Y188 PolarHBondContact O-N 3.26Å
186A98.7Very high98.5Very high30 Ų3023.5 Ų23.525%0.24812%0.123CC..Hα-helixtrans-59.1-32.6-178.700000112.8Y67 V157 G182 V183 E184Y67-A186 HydrophobicContact CE2-CB 3.7Å; V157-A186 HydrophobicContact CB-CB 4.44Å; V157-A186 HydrophobicContact CG1-CB 3.93Å; V157-A186 HydrophobicContact CG2-CB 3.55Å; G182-A186 WeakPolarHBondContact O-CB 3.32Å; G182-A186 PolarHBondContact O-N 2.57Å; V183-A186 PolarHBondContact O-N 2.77Å; E184-A186 PolarHBondContact O-N 3.19Å
187F98.8Very high98.5Very high15 Ų1523.7 Ų23.77%0.06612%0.124CC..Hα-helixtrans-114.38.8-175.8-60.5-65000114.4V157 I160 L161 L164 V183 E184 E185 T189 T190 V193V157-F187 HydrophobicContact CB-CE2 4.36Å; V157-F187 HydrophobicContact CG1-CE2 4.16Å; V157-F187 HydrophobicContact CG1-CZ 3.95Å; V157-F187 HydrophobicContact CG2-CE2 4.06Å; I160-F187 HydrophobicContact CB-CE2 3.98Å; I160-F187 HydrophobicContact CB-CZ 3.8Å; I160-F187 HydrophobicContact CD1-CD2 4.48Å; I160-F187 HydrophobicContact CD1-CE2 3.82Å; I160-F187 HydrophobicContact CG2-CE1 4.05Å; I160-F187 HydrophobicContact CG2-CE2 3.74Å; I160-F187 HydrophobicContact CG2-CZ 3.42Å; I160-F187 VanDerWaalsContact CG2-CZ 3.42Å; L161-F187 HydrophobicContact CD2-CE1 4.21Å; L161-F187 HydrophobicContact CD2-CZ 4.5Å; L161-F187 HydrophobicContact CG-CZ 4.43Å; L164-F187 HydrophobicContact CD1-CE1 4.12Å; V183-F187 HydrophobicContact CG1-CD2 4.07Å; V183-F187 HydrophobicContact CG1-CE2 4.22Å; V183-F187 WeakPolarHBondContact O-CD2 3.43Å; V183-F187 PolarHBondContact O-N 3.06Å; E184-F187 CarbonylContact O-C 3.57Å; E184-F187 PolarHBondContact O-N 3.36Å; E185-F187 PolarHBondContact O-N 3.42Å; F187-T189 PolarHBondContact O-N 2.99Å; F187-T190 HydrophobicContact CB-CG2 3.87Å; F187-T190 HydrophobicContact CD1-CG2 3.9Å; F187-T190 HydrophobicContact CG-CG2 4.36Å; F187-T190 WeakPolarHBondContact O-CG2 3.39Å; F187-T190 PolarHBondContact O-N 2.68Å; F187-V193 HydrophobicContact CB-CB 3.89Å; F187-V193 HydrophobicContact CB-CG1 4.12Å; F187-V193 HydrophobicContact CD1-CB 3.98Å; F187-V193 HydrophobicContact CD1-CG1 4.46Å; F187-V193 HydrophobicContact CD1-CG2 3.65Å; F187-V193 HydrophobicContact CD2-CB 4.24Å; F187-V193 HydrophobicContact CD2-CG1 3.83Å; F187-V193 HydrophobicContact CD2-CG2 4.38Å; F187-V193 HydrophobicContact CE1-CG2 3.88Å; F187-V193 HydrophobicContact CE2-CG1 4.39Å; F187-V193 HydrophobicContact CG-CB 3.77Å; F187-V193 HydrophobicContact CG-CG1 3.87Å; F187-V193 HydrophobicContact CG-CG2 3.92Å; F187-V193 HydrophobicContact CZ-CG2 4.35Å
188Y98.5Very high98.5Very high68 Ų6823.7 Ų23.727%0.26712%0.124SC..THydrogen-bonded Turntrans-57-21.2-172.2-154.6-109000115.2E184 E185 G215 A216 A223E184-Y188 HydrophobicContact CG-CD2 3.67Å; E184-Y188 HydrophobicContact CG-CE2 3.99Å; E184-Y188 WeakPolarHBondContact O-CA 3.47Å; E184-Y188 WeakPolarHBondContact O-CB 3.32Å; E184-Y188 PolarHBondContact O-N 3.23Å; E185-Y188 PolarHBondContact O-N 3.26Å; Y188-G215 VanDerWaalsContact CZ-CA 3.42Å; Y188-G215 PolarHBondContact OH-N 3.02Å; Y188-A216 HydrophobicContact CD1-CB 3.77Å; Y188-A216 HydrophobicContact CE1-CB 3.76Å; Y188-A216 PolarHBondContact O-N 3.39Å; Y188-A223 HydrophobicContact CE2-CB 4.41Å
189T97.9Very high98.5Very high96 Ų9623.1 Ų23.159%0.58912%0.121SC*.THydrogen-bonded Turntrans-113.38.6-175.461.60000114.9F187 A216 G219F187-T189 PolarHBondContact O-N 2.99Å; T189-A216 WeakPolarHBondContact CA-O 3.47Å; T189-A216 HydrophobicContact CG2-CB 4.43Å; T189-G219 PolarHBondContact O-N 3.04Å
190T97.2Very high98.5Very high35 Ų3524.3 Ų24.322%0.21513%0.127CC..  trans-118.1149.8177.6-174.20000112.6F187 R192 V193 G219F187-T190 HydrophobicContact CB-CG2 3.87Å; F187-T190 HydrophobicContact CD1-CG2 3.9Å; F187-T190 HydrophobicContact CG-CG2 4.36Å; F187-T190 WeakPolarHBondContact O-CG2 3.39Å; F187-T190 PolarHBondContact O-N 2.68Å; T190-R192 PolarHBondContact OG1-N 3.41Å; T190-V193 HydrophobicContact CG2-CB 4.43Å; T190-G219 WeakPolarHBondContact O-CA 3.45Å
191D96.4Very high98.5Very high59 Ų5927.8 Ų27.832%0.31614%0.14SC..SBendtrans-95.1-2172.856.2-14.1000113.2Y222D191-Y222 HydrophobicContact CB-CD1 4.18Å; D191-Y222 HydrophobicContact CB-CD2 4.03Å; D191-Y222 HydrophobicContact CB-CE1 3.8Å; D191-Y222 HydrophobicContact CB-CE2 3.67Å; D191-Y222 HydrophobicContact CB-CG 4.28Å; D191-Y222 WeakPolarHBondContact O-CE1 3.38Å
192R97.9Very high98.2Very high39 Ų3929.1 Ų29.115%0.14716%0.157CC..SBendtrans-84.6-14.4179.2-67.6-165.263.7-164.3-5.8113.9L164 H167 Q168 R169 V170 T190 Y252 Q382L164-R192 HydrophobicContact CD2-CB 3.88Å; L164-R192 PolarHBondContact O-NH2 2.87Å; H167-R192 PolarHBondContact O-NH2 3.39Å; Q168-R192 PolarHBondContact O-NE 3.26Å; R169-R192 WeakPolarHBondContact CA-O 3.35Å; V170-R192 PolarHBondContact N-O 2.8Å; T190-R192 PolarHBondContact OG1-N 3.41Å; R192-Y252 PolarHBondContact O-OH 2.79Å; R192-Q382 VanDerWaalsContact NH1-OE1 3.08Å
193V98.8Very high98Very high1 Ų139.2 Ų39.21%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-129.4128.1174.2-176.30000107.5I160 L164 V170 F187 T190 T195 Y252I160-V193 HydrophobicContact CD1-CG1 4.49Å; I160-V193 HydrophobicContact CG2-CG1 4.17Å; I160-V193 HydrophobicContact CG2-CG2 3.58Å; L164-V193 HydrophobicContact CD1-CG2 3.72Å; L164-V193 HydrophobicContact CD2-CG2 3.99Å; L164-V193 HydrophobicContact CG-CG2 4.21Å; V170-V193 VanDerWaalsContact O-CA 3.31Å; V170-V193 WeakPolarHBondContact O-CA 3.31Å; F187-V193 HydrophobicContact CB-CB 3.89Å; F187-V193 HydrophobicContact CB-CG1 4.12Å; F187-V193 HydrophobicContact CD1-CB 3.98Å; F187-V193 HydrophobicContact CD1-CG1 4.46Å; F187-V193 HydrophobicContact CD1-CG2 3.65Å; F187-V193 HydrophobicContact CD2-CB 4.24Å; F187-V193 HydrophobicContact CD2-CG1 3.83Å; F187-V193 HydrophobicContact CD2-CG2 4.38Å; F187-V193 HydrophobicContact CE1-CG2 3.88Å; F187-V193 HydrophobicContact CE2-CG1 4.39Å; F187-V193 HydrophobicContact CG-CB 3.77Å; F187-V193 HydrophobicContact CG-CG1 3.87Å; F187-V193 HydrophobicContact CG-CG2 3.92Å; F187-V193 HydrophobicContact CZ-CG2 4.35Å; T190-V193 HydrophobicContact CG2-CB 4.43Å; V193-T195 HydrophobicContact CG1-CG2 4.41Å; V193-Y252 VanDerWaalsContact C-OH 3.32Å; V193-Y252 WeakPolarHBondContact CA-OH 3.45Å; V193-Y252 PolarHBondContact N-OH 3.43Å
194M98.8Very high97.9Very high0 Ų041.4 Ų41.40%021%0.212CC..EExtended strand (participates in β ladder)trans-105.8127.9169.3176.1174.6-78.500108.1V170 L171 Y172 V196 Y222 V224 V248 Y252 L370 L373V170-M194 PolarHBondContact O-N 3.17Å; L171-M194 HydrophobicContact CD1-CB 4.11Å; L171-M194 HydrophobicContact CD1-CG 4.1Å; L171-M194 HydrophobicContact CD1-SD 4.36Å; Y172-M194 PolarHBondContact N-O 3.37Å; M194-V196 HydrophobicContact CG-CG2 4.06Å; M194-V196 HydrophobicContact SD-CG2 4.33Å; M194-Y222 CarbonylContact C-O 3.51Å; M194-Y222 WeakPolarHBondContact CA-O 3.4Å; M194-Y222 HydrophobicContact CE-CD1 4.01Å; M194-Y222 WeakPolarHBondContact CG-O 3.43Å; M194-V224 HydrophobicContact CG-CG2 4.46Å; M194-V224 HydrophobicContact SD-CG2 4.3Å; M194-V248 HydrophobicContact SD-CB 4.45Å; M194-V248 HydrophobicContact SD-CG1 3.63Å; M194-V248 HydrophobicContact SD-CG2 4.23Å; M194-Y252 HydrophobicContact CB-CD1 3.7Å; M194-Y252 HydrophobicContact CB-CD2 3.96Å; M194-Y252 HydrophobicContact CB-CE1 3.48Å; M194-Y252 VanDerWaalsContact CB-CE1 3.48Å; M194-Y252 HydrophobicContact CB-CE2 3.78Å; M194-Y252 HydrophobicContact CB-CG 3.93Å; M194-Y252 HydrophobicContact CE-CD2 3.75Å; M194-Y252 HydrophobicContact CE-CG 3.83Å; M194-Y252 HydrophobicContact CG-CD1 4.49Å; M194-Y252 PolarHBondContact N-OH 3.44Å; M194-Y252 VanDerWaalsContact N-OH 3.11Å; M194-Y252 HydrophobicContact SD-CD1 4.13Å; M194-Y252 HydrophobicContact SD-CD2 4.27Å; M194-Y252 HydrophobicContact SD-CG 3.81Å; M194-L370 HydrophobicContact CE-CD2 4.24Å; M194-L370 HydrophobicContact SD-CD2 4.48Å; M194-L373 HydrophobicContact CE-CD1 4.35Å; M194-L373 HydrophobicContact CE-CD2 3.44Å; M194-L373 VanDerWaalsContact CE-CD2 3.44Å
195T98.9Very high97.8Very high7 Ų744.7 Ų44.74%0.04323%0.227CC..EExtended strand (participates in β ladder)trans-101.6129.9174.557.10000109.5Y172 V183 V193 Y222 V224Y172-T195 HydrophobicContact CD1-CG2 3.97Å; V183-T195 HydrophobicContact CG1-CG2 4.21Å; V193-T195 HydrophobicContact CG1-CG2 4.41Å; T195-Y222 PolarHBondContact N-O 3.13Å; T195-V224 PolarHBondContact O-N 3.12Å
196V98.9Very high97.8Very high1 Ų141.3 Ų41.31%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-127.9115.7176.5-170.40000108.7L171 Y172 I173 D174 M194 F198 V224 I244 M245 V248L171-V196 HydrophobicContact CD1-CG2 3.76Å; Y172-V196 PolarHBondContact O-N 2.9Å; I173-V196 CarbonylContact C-O 3.57Å; I173-V196 WeakPolarHBondContact CA-O 3.37Å; D174-V196 PolarHBondContact N-O 2.6Å; M194-V196 HydrophobicContact CG-CG2 4.06Å; M194-V196 HydrophobicContact SD-CG2 4.33Å; V196-F198 HydrophobicContact CG1-CD2 4.48Å; V196-F198 HydrophobicContact CG1-CE2 3.73Å; V196-F198 HydrophobicContact CG1-CZ 4.15Å; V196-V224 VanDerWaalsContact CA-O 3.31Å; V196-V224 WeakPolarHBondContact CA-O 3.29Å; V196-V224 HydrophobicContact CB-CB 4.4Å; V196-V224 HydrophobicContact CG1-CB 4.15Å; V196-V224 HydrophobicContact CG1-CG1 4.09Å; V196-V224 HydrophobicContact CG2-CB 4.09Å; V196-V224 HydrophobicContact CG2-CG2 4.38Å; V196-I244 HydrophobicContact CG1-CG2 4.41Å; V196-M245 HydrophobicContact CB-SD 4.38Å; V196-M245 HydrophobicContact CG1-SD 3.85Å; V196-V248 HydrophobicContact CG2-CG1 4.23Å; V196-V248 HydrophobicContact CG2-CG2 4.1Å
197S98.9Very high97.7Very high4 Ų442.4 Ų42.43%0.02823%0.228CC..EExtended strand (participates in β ladder)trans-125.6136.7-177.7-177.60000111.8H199 V224 Y226S197-H199 PolarHBondContact OG-ND1 3.4Å; S197-V224 PolarHBondContact N-O 3.04Å; S197-Y226 PolarHBondContact O-N 2.95Å
198F98.9Very high97.7Very high0 Ų044.4 Ų44.40%024%0.241CC..EExtended strand (participates in β ladder)trans-119103176.8-62.1-97.5000109.4D174 D176 V196 Y226 L228 Y237 I240 F241 I244 M245D174-F198 PolarHBondContact O-N 3.25Å; D174-F198 VanDerWaalsContact O-N 3.13Å; D176-F198 VanDerWaalsContact O-O 3.11Å; V196-F198 HydrophobicContact CG1-CD2 4.48Å; V196-F198 HydrophobicContact CG1-CE2 3.73Å; V196-F198 HydrophobicContact CG1-CZ 4.15Å; F198-Y226 HydrophobicContact CD1-CD2 4.07Å; F198-Y226 AromaticContact CD1-CG 3.83Å; F198-Y226 HydrophobicContact CD1-CG 3.83Å; F198-Y226 AromaticContact CE1-CD2 3.84Å; F198-Y226 HydrophobicContact CE1-CD2 3.84Å; F198-Y226 HydrophobicContact CE1-CG 4.09Å; F198-L228 HydrophobicContact CB-CD1 4.47Å; F198-Y237 HydrophobicContact CB-CE2 4.22Å; F198-Y237 VanDerWaalsContact CB-OH 3.24Å; F198-Y237 WeakPolarHBondContact CB-OH 3.49Å; F198-I240 HydrophobicContact CD1-CD1 4.27Å; F198-F241 HydrophobicContact CD2-CD2 4.02Å; F198-F241 HydrophobicContact CD2-CE2 4.21Å; F198-F241 HydrophobicContact CE1-CD2 4.27Å; F198-F241 AromaticContact CE2-CD2 3.55Å; F198-F241 HydrophobicContact CE2-CD2 3.55Å; F198-F241 AromaticContact CE2-CE2 3.74Å; F198-F241 HydrophobicContact CE2-CE2 3.74Å; F198-F241 AromaticContact CZ-CD2 3.69Å; F198-F241 HydrophobicContact CZ-CD2 3.69Å; F198-F241 HydrophobicContact CZ-CE2 4.28Å; F198-F241 HydrophobicContact CZ-CG 4.46Å; F198-I244 HydrophobicContact CE1-CB 4.44Å; F198-I244 HydrophobicContact CE1-CG2 4.34Å; F198-I244 HydrophobicContact CZ-CB 4.19Å; F198-I244 HydrophobicContact CZ-CG2 3.83Å; F198-M245 HydrophobicContact CE2-SD 4Å; F198-M245 HydrophobicContact CZ-CG 4.43Å; F198-M245 HydrophobicContact CZ-SD 4.15Å
199H98.9Very high97.7Very high0 Ų041.2 Ų41.20%023%0.229CC..EExtended strand (participates in β ladder)trans-143.7160.6-164.951.4-96.9000111.9I177 H179 S197 G209 N225 Y226 L228I177-H199 CarbonylContact O-C 3.56Å; I177-H199 WeakPolarHBondContact O-CA 3.38Å; I177-H199 VanDerWaalsContact O-CB 3.25Å; I177-H199 WeakPolarHBondContact O-CB 3.38Å; H179-H199 HydrophobicContact CB-CB 4.3Å; H179-H199 AromaticContact CD2-CE1 3.43Å; H179-H199 PolarHBondContact CD2-CE1 2.95Å; H179-H199 VanDerWaalsContact CD2-CE1 3.43Å; H179-H199 AromaticContact CD2-ND1 3.61Å; H179-H199 AromaticContact CG-CE1 3.83Å; H179-H199 AromaticContact CG-ND1 3.99Å; S197-H199 PolarHBondContact OG-ND1 3.4Å; H199-G209 PolarHBondContact NE2-O 3.42Å; H199-N225 PolarHBondContact CE1-OD1 2.89Å; H199-Y226 PolarHBondContact N-O 3.13Å; H199-L228 WeakPolarHBondContact O-CB 3.19Å; H199-L228 PolarHBondContact O-N 2.66Å
200K98.7Very high97.7Very high27 Ų2737.7 Ų37.712%0.11721%0.206CC..EExtended strand (participates in β ladder)trans-67.5135.6169.3170.8167.416458.10110.2I177 Y204 L228 D230 C273 F274I177-K200 HydrophobicContact CD1-CB 4.48Å; I177-K200 HydrophobicContact CG1-CB 4.03Å; I177-K200 PolarHBondContact O-N 2.8Å; K200-Y204 HydrophobicContact CB-CD1 3.82Å; K200-Y204 HydrophobicContact CB-CE1 4.09Å; K200-Y204 HydrophobicContact CB-CG 4.31Å; K200-Y204 HydrophobicContact CD-CD1 3.91Å; K200-Y204 HydrophobicContact CD-CD2 3.64Å; K200-Y204 HydrophobicContact CD-CE1 4.13Å; K200-Y204 HydrophobicContact CD-CE2 3.89Å; K200-Y204 HydrophobicContact CD-CG 3.64Å; K200-Y204 HydrophobicContact CG-CD1 3.81Å; K200-Y204 HydrophobicContact CG-CD2 4.29Å; K200-Y204 HydrophobicContact CG-CE1 4.35Å; K200-Y204 HydrophobicContact CG-CG 3.76Å; K200-L228 WeakPolarHBondContact CA-O 3.43Å; K200-D230 WeakPolarHBondContact CD-OD1 3.44Å; K200-D230 VanDerWaalsContact CE-OD1 3.24Å; K200-D230 WeakPolarHBondContact CE-OD1 3.37Å; K200-D230 IonicContact NZ-OD1 3.19Å; K200-D230 PolarHBondContact NZ-OD1 3.35Å; K200-C273 WeakPolarHBondContact CD-SG 3.48Å; K200-C273 VanDerWaalsContact CE-SG 3.59Å; K200-F274 HydrophobicContact CB-CE1 3.98Å; K200-F274 HydrophobicContact CB-CZ 4.3Å
201Y98.2Very high97.6Very high75 Ų7537 Ų3729%0.29420%0.201SC..  trans-133.1144176.9-173.1-101000112.2D210 P227 L228Y201-D210 HydrophobicContact CE1-CB 4.34Å; Y201-D210 HydrophobicContact CE2-CB 4.19Å; Y201-D210 WeakPolarHBondContact OH-CB 3.45Å; Y201-D210 PolarHBondContact OH-OD2 2.83Å; Y201-P227 HydrophobicContact CD1-CB 4Å; Y201-P227 HydrophobicContact CG-CB 3.81Å; Y201-L228 PolarHBondContact N-O 3.12Å
202G92.9Very high97.7Very high40 Ų4042.9 Ų42.941%0.41222%0.219SC..SBendtrans99.8112.1-175.400000112.5Y204G202-Y204 VanDerWaalsContact C-N 3.25Å; G202-Y204 PolarHBondContact O-N 3.27Å
203E93.5Very high97.7Very high211 Ų21143.2 Ų43.299%0.98622%0.224SC*.SBendtrans48.244.7-176.1-62.7-178.2-174.400113
204Y97.3Very high97.7Very high47 Ų4744.7 Ų44.718%0.18423%0.231CC..  trans-139.9148.9-178.4-153.6-114.5000110.8I177 H178 K200 G202 G207 L271I177-Y204 HydrophobicContact CG1-CE1 4.48Å; I177-Y204 HydrophobicContact CG2-CE1 4.22Å; H178-Y204 AromaticContact CD2-CE1 3.44Å; H178-Y204 VanDerWaalsContact CD2-CE1 3.44Å; H178-Y204 WeakPolarHBondContact CD2-CE1 3.45Å; H178-Y204 AromaticContact NE2-CE1 3.55Å; H178-Y204 AromaticContact NE2-CZ 3.78Å; K200-Y204 HydrophobicContact CB-CD1 3.82Å; K200-Y204 HydrophobicContact CB-CE1 4.09Å; K200-Y204 HydrophobicContact CB-CG 4.31Å; K200-Y204 HydrophobicContact CD-CD1 3.91Å; K200-Y204 HydrophobicContact CD-CD2 3.64Å; K200-Y204 HydrophobicContact CD-CE1 4.13Å; K200-Y204 HydrophobicContact CD-CE2 3.89Å; K200-Y204 HydrophobicContact CD-CG 3.64Å; K200-Y204 HydrophobicContact CG-CD1 3.81Å; K200-Y204 HydrophobicContact CG-CD2 4.29Å; K200-Y204 HydrophobicContact CG-CE1 4.35Å; K200-Y204 HydrophobicContact CG-CG 3.76Å; G202-Y204 VanDerWaalsContact C-N 3.25Å; G202-Y204 PolarHBondContact O-N 3.27Å; Y204-G207 WeakPolarHBondContact O-CA 3.43Å; Y204-G207 PolarHBondContact O-N 3.4Å; Y204-L271 PolarHBondContact OH-O 2.79Å
205F97.7Very high97.7Very high80 Ų8045.2 Ų45.235%0.35124%0.236SC..THydrogen-bonded Turntrans-66.1142174.5-176.7-90.4000109.9H141 S148 H178H141-F205 AromaticContact CD2-CE1 3.67Å; H141-F205 AromaticContact CE1-CE1 3.63Å; H141-F205 AromaticContact CG-CE1 3.85Å; H141-F205 AromaticContact ND1-CE1 3.82Å; H141-F205 AromaticContact NE2-CD1 3.91Å; H141-F205 AromaticContact NE2-CE1 3.48Å; H141-F205 WeakPolarHBondContact NE2-CE1 3.4Å; S148-F205 WeakPolarHBondContact OG-CZ 3.48Å; H178-F205 PolarHBondContact CD2-O 2.96Å
206P97.8Very high97.6Very high32 Ų3246.7 Ų46.721%0.20825%0.25CC..THydrogen-bonded Turncis-88.62.20.434.4-35.3000114.9H179 D181H179-P206 HydrophobicContact CB-CG 3.98Å; D181-P206 HydrophobicContact CB-CB 4.49Å; D181-P206 HydrophobicContact CB-CG 3.82Å; D181-P206 WeakPolarHBondContact OD2-CB 3.32Å
207G97.1Very high97.5Very high53 Ų5350 Ų5055%0.54628%0.284SS..  trans85.36.8-178.900000115.2Y204Y204-G207 WeakPolarHBondContact O-CA 3.43Å; Y204-G207 PolarHBondContact O-N 3.4Å
208T98.1Very high97.4Very high58 Ų5857 Ų5736%0.35631%0.314SS..  trans-112.9177.9173.755.70000110.7H179 D181H179-T208 PolarHBondContact ND1-OG1 3.03Å; D181-T208 WeakPolarHBondContact CB-OG1 3.32Å
209G97.9Very high97.3Very high0 Ų057 Ų570%031%0.314CS..  trans9330178.700000113.2H179 H199 D213H179-G209 PolarHBondContact ND1-N 2.98Å; H199-G209 PolarHBondContact NE2-O 3.42Å; G209-D213 PolarHBondContact N-OD2 2.8Å; G209-D213 VanDerWaalsContact N-OD2 3.12Å
210D97.8Very high97.2Very high22 Ų2261.7 Ų61.712%0.11833%0.334CS..  trans-62.6155.2173-165.7-69.7000109.8Y201 R212 D213Y201-D210 HydrophobicContact CE1-CB 4.34Å; Y201-D210 HydrophobicContact CE2-CB 4.19Å; Y201-D210 WeakPolarHBondContact OH-CB 3.45Å; Y201-D210 PolarHBondContact OH-OD2 2.83Å; D210-R212 PolarHBondContact O-N 3.03Å; D210-R212 IonicContact OD1-CZ 3.73Å; D210-R212 PolarHBondContact OD1-N 2.84Å; D210-R212 IonicContact OD1-NE 3.81Å; D210-R212 PolarHBondContact OD1-NE 2.9Å; D210-R212 IonicContact OD1-NH2 3.93Å; D210-R212 IonicContact OD2-CZ 2.71Å; D210-R212 IonicContact OD2-NE 2.64Å; D210-R212 IonicContact OD2-NH2 2.68Å; D210-R212 PolarHBondContact OD2-NH2 3.43Å; D210-D213 PolarHBondContact N-OD2 2.77Å; D210-D213 WeakPolarHBondContact O-CB 3.48Å; D210-D213 PolarHBondContact O-N 2.7Å
211L97.1Very high97.2Very high21 Ų2163 Ų6311%0.1134%0.339CS..THydrogen-bonded Turntrans-54.4-22.7171.3-17756.4000113.7P227 I362 R365 L366L211-P227 HydrophobicContact CB-CG 4.06Å; L211-I362 HydrophobicContact CD1-CG2 3.99Å; L211-I362 HydrophobicContact CD2-CG1 4.24Å; L211-R365 HydrophobicContact CD1-CB 4.44Å; L211-R365 HydrophobicContact CD2-CB 4.25Å; L211-R365 VanDerWaalsContact CD2-CD 3.46Å; L211-L366 HydrophobicContact CD1-CD2 3.5Å; L211-L366 HydrophobicContact CD1-CG 3.89Å
212R97.8Very high97.2Very high183 Ų18360.6 Ų60.669%0.69133%0.33SS*.THydrogen-bonded Turntrans-88.4-10.8178.7-65.3170.7-69.5164.24113.6D210 I214D210-R212 PolarHBondContact O-N 3.03Å; D210-R212 IonicContact OD1-CZ 3.73Å; D210-R212 PolarHBondContact OD1-N 2.84Å; D210-R212 IonicContact OD1-NE 3.81Å; D210-R212 PolarHBondContact OD1-NE 2.9Å; D210-R212 IonicContact OD1-NH2 3.93Å; D210-R212 IonicContact OD2-CZ 2.71Å; D210-R212 IonicContact OD2-NE 2.64Å; D210-R212 IonicContact OD2-NH2 2.68Å; D210-R212 PolarHBondContact OD2-NH2 3.43Å; R212-I214 PolarHBondContact O-N 2.67Å; R212-I214 VanDerWaalsContact O-N 3.08Å
213D97.9Very high97.5Very high46 Ų4659 Ų5925%0.24631%0.312CS..  trans-78.294.3176.3-63-23.5000108.1G209 D210 N225G209-D213 PolarHBondContact N-OD2 2.8Å; G209-D213 VanDerWaalsContact N-OD2 3.12Å; D210-D213 PolarHBondContact N-OD2 2.77Å; D210-D213 WeakPolarHBondContact O-CB 3.48Å; D210-D213 PolarHBondContact O-N 2.7Å; D213-N225 PolarHBondContact O-ND2 3.25Å
214I98.4Very high97.7Very high32 Ų3249.2 Ų49.216%0.16427%0.267CS..  trans-118.214.1-17162.1169.1000113.1R212 K220 Y221R212-I214 PolarHBondContact O-N 2.67Å; R212-I214 VanDerWaalsContact O-N 3.08Å; I214-K220 HydrophobicContact CD1-CG 4.17Å; I214-K220 HydrophobicContact CG1-CG 4.44Å; I214-K220 CarbonylContact O-C 3.53Å; I214-K220 WeakPolarHBondContact O-CA 3.47Å; I214-Y221 HydrophobicContact CD1-CD1 4.11Å; I214-Y221 HydrophobicContact CD1-CE1 3.81Å; I214-Y221 WeakPolarHBondContact O-CA 3.3Å; I214-Y221 PolarHBondContact O-N 3.31Å
215G98.1Very high97.8Very high10 Ų1047 Ų4710%0.10326%0.258CS..  trans82.9172.6-175.300000113.7Y188Y188-G215 VanDerWaalsContact CZ-CA 3.42Å; Y188-G215 PolarHBondContact OH-N 3.02Å
216A97.5Very high97.9Very high39 Ų3943.3 Ų43.332%0.32224%0.242SC..  trans-135.6156.6-17600000112.9Y188 T189 K218 G219 K220Y188-A216 HydrophobicContact CD1-CB 3.77Å; Y188-A216 HydrophobicContact CE1-CB 3.76Å; Y188-A216 PolarHBondContact O-N 3.39Å; T189-A216 WeakPolarHBondContact CA-O 3.47Å; T189-A216 HydrophobicContact CG2-CB 4.43Å; A216-K218 PolarHBondContact O-N 3.08Å; A216-G219 WeakPolarHBondContact O-CA 3.37Å; A216-G219 PolarHBondContact O-N 3.5Å; A216-K220 PolarHBondContact O-N 2.99Å
217G97.1Very high97.9Very high70 Ų7042.2 Ų42.272%0.72224%0.235SC*.G310 helixtrans57.8-125.1179.200000111.9G219 K220G217-G219 VanDerWaalsContact C-N 3.3Å; G217-K220 WeakPolarHBondContact O-CB 3.21Å; G217-K220 PolarHBondContact O-N 3.23Å
218K95.7Very high98Very high151 Ų15139.7 Ų39.766%0.65721%0.209SC*.G310 helixtrans-69-27.7175.4-67.7-172.8176.3-174.80113A216 K220A216-K218 PolarHBondContact O-N 3.08Å; K218-K220 PolarHBondContact O-N 3.23Å
219G97.1Very high98Very high1 Ų142.5 Ų42.51%0.0121%0.213CC..G310 helixtrans-79.82.6177.400000114.4T189 T190 A216 G217 Y221 Y222T189-G219 PolarHBondContact O-N 3.04Å; T190-G219 WeakPolarHBondContact O-CA 3.45Å; A216-G219 WeakPolarHBondContact O-CA 3.37Å; A216-G219 PolarHBondContact O-N 3.5Å; G217-G219 VanDerWaalsContact C-N 3.3Å; G219-Y221 PolarHBondContact O-N 3.16Å; G219-Y222 WeakPolarHBondContact O-CB 3.5Å; G219-Y222 PolarHBondContact O-N 3.48Å
220K97.8Very high98Very high97 Ų9744.4 Ų44.442%0.42222%0.223SC..THydrogen-bonded Turntrans-63.3130175.2-170.3-179.6-179.6-178.70110.5I214 A216 G217 K218 Y222I214-K220 HydrophobicContact CD1-CG 4.17Å; I214-K220 HydrophobicContact CG1-CG 4.44Å; I214-K220 CarbonylContact O-C 3.53Å; I214-K220 WeakPolarHBondContact O-CA 3.47Å; A216-K220 PolarHBondContact O-N 2.99Å; G217-K220 WeakPolarHBondContact O-CB 3.21Å; G217-K220 PolarHBondContact O-N 3.23Å; K218-K220 PolarHBondContact O-N 3.23Å; K220-Y222 VanDerWaalsContact C-N 3.29Å; K220-Y222 WeakPolarHBondContact O-CD2 3.25Å
221Y98.2Very high98.1Very high56 Ų5643.4 Ų43.422%0.2222%0.218CC..THydrogen-bonded Turntrans73.63.4-168.8-49.6-69000115.9I214 G219 N369 M372 L373I214-Y221 HydrophobicContact CD1-CD1 4.11Å; I214-Y221 HydrophobicContact CD1-CE1 3.81Å; I214-Y221 WeakPolarHBondContact O-CA 3.3Å; I214-Y221 PolarHBondContact O-N 3.31Å; G219-Y221 PolarHBondContact O-N 3.16Å; Y221-N369 HydrophobicContact CD1-CB 4.09Å; Y221-M372 HydrophobicContact CD1-CB 4.1Å; Y221-M372 HydrophobicContact CD1-CG 4.27Å; Y221-M372 HydrophobicContact CD2-CB 3.72Å; Y221-M372 HydrophobicContact CD2-CG 4.47Å; Y221-M372 HydrophobicContact CE1-CB 4.13Å; Y221-M372 HydrophobicContact CE1-CG 3.89Å; Y221-M372 HydrophobicContact CE2-CB 3.77Å; Y221-M372 HydrophobicContact CE2-CE 4.48Å; Y221-M372 HydrophobicContact CE2-CG 4.13Å; Y221-M372 HydrophobicContact CG-CB 3.89Å; Y221-L373 WeakPolarHBondContact O-CD1 3.29Å
222Y98.4Very high98.1Very high24 Ų2442.4 Ų42.49%0.09421%0.212CC..  trans-101.20177-65.8-98.4000113.5D191 M194 T195 G219 K220 Y252 L373D191-Y222 HydrophobicContact CB-CD1 4.18Å; D191-Y222 HydrophobicContact CB-CD2 4.03Å; D191-Y222 HydrophobicContact CB-CE1 3.8Å; D191-Y222 HydrophobicContact CB-CE2 3.67Å; D191-Y222 HydrophobicContact CB-CG 4.28Å; D191-Y222 WeakPolarHBondContact O-CE1 3.38Å; M194-Y222 CarbonylContact C-O 3.51Å; M194-Y222 WeakPolarHBondContact CA-O 3.4Å; M194-Y222 HydrophobicContact CE-CD1 4.01Å; M194-Y222 WeakPolarHBondContact CG-O 3.43Å; T195-Y222 PolarHBondContact N-O 3.13Å; G219-Y222 WeakPolarHBondContact O-CB 3.5Å; G219-Y222 PolarHBondContact O-N 3.48Å; K220-Y222 VanDerWaalsContact C-N 3.29Å; K220-Y222 WeakPolarHBondContact O-CD2 3.25Å; Y222-Y252 AromaticContact CD1-CD2 3.83Å; Y222-Y252 HydrophobicContact CD1-CD2 3.83Å; Y222-Y252 AromaticContact CD1-CE2 3.57Å; Y222-Y252 HydrophobicContact CD1-CE2 3.57Å; Y222-Y252 AromaticContact CE1-CD2 3.69Å; Y222-Y252 HydrophobicContact CE1-CD2 3.69Å; Y222-Y252 AromaticContact CE1-CE2 3.59Å; Y222-Y252 HydrophobicContact CE1-CE2 3.59Å; Y222-L373 HydrophobicContact CD1-CD2 4.39Å; Y222-L373 HydrophobicContact CE1-CD2 3.9Å; Y222-L373 HydrophobicContact CE1-CG 4.41Å
223A98.8Very high98.2Very high5 Ų535.6 Ų35.64%0.04119%0.19CC..EExtended strand (participates in β ladder)trans-107.5125.516400000109.3E184 Y188E184-A223 HydrophobicContact CG-CB 4.3Å; Y188-A223 HydrophobicContact CE2-CB 4.41Å
224V98.9Very high98.2Very high7 Ų734.4 Ų34.44%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-124.7109.5-174.9-177.50000108.8M194 T195 V196 S197 L366 L370M194-V224 HydrophobicContact CG-CG2 4.46Å; M194-V224 HydrophobicContact SD-CG2 4.3Å; T195-V224 PolarHBondContact O-N 3.12Å; V196-V224 VanDerWaalsContact CA-O 3.31Å; V196-V224 WeakPolarHBondContact CA-O 3.29Å; V196-V224 HydrophobicContact CB-CB 4.4Å; V196-V224 HydrophobicContact CG1-CB 4.15Å; V196-V224 HydrophobicContact CG1-CG1 4.09Å; V196-V224 HydrophobicContact CG2-CB 4.09Å; V196-V224 HydrophobicContact CG2-CG2 4.38Å; S197-V224 PolarHBondContact N-O 3.04Å; V224-L366 HydrophobicContact CG1-CD1 4.24Å; V224-L366 HydrophobicContact CG1-CD2 4.1Å; V224-L370 HydrophobicContact CG2-CD2 4.06Å
225N98.9Very high98.2Very high1 Ų139.4 Ų39.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-113.3123.7-176.4-72.5-56.4000111.6H179 E184 H199 D213 P227H179-N225 PolarHBondContact CD2-OD1 3.45Å; H179-N225 PolarHBondContact NE2-OD1 3.07Å; H179-N225 VanDerWaalsContact NE2-OD1 3.15Å; E184-N225 PolarHBondContact OE1-ND2 2.92Å; E184-N225 PolarHBondContact OE2-ND2 3.29Å; E184-N225 PolarHBondContact OE2-OD1 3.06Å; H199-N225 PolarHBondContact CE1-OD1 2.89Å; D213-N225 PolarHBondContact O-ND2 3.25Å; N225-P227 WeakPolarHBondContact O-CD 3.41Å
226Y98.8Very high98.2Very high2 Ų239.6 Ų39.61%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-107.288.7174.9-153.4-57.3000109.6S197 F198 H199 L228 I240 I244 L359 I362 K363 L366S197-Y226 PolarHBondContact O-N 2.95Å; F198-Y226 HydrophobicContact CD1-CD2 4.07Å; F198-Y226 AromaticContact CD1-CG 3.83Å; F198-Y226 HydrophobicContact CD1-CG 3.83Å; F198-Y226 AromaticContact CE1-CD2 3.84Å; F198-Y226 HydrophobicContact CE1-CD2 3.84Å; F198-Y226 HydrophobicContact CE1-CG 4.09Å; H199-Y226 PolarHBondContact N-O 3.13Å; Y226-L228 HydrophobicContact CD1-CD2 3.49Å; Y226-L228 VanDerWaalsContact CD1-CD2 3.49Å; Y226-L228 HydrophobicContact CD1-CG 3.98Å; Y226-L228 HydrophobicContact CE1-CD2 3.51Å; Y226-L228 HydrophobicContact CE1-CG 4.48Å; Y226-I240 HydrophobicContact CD1-CD1 3.93Å; Y226-I240 HydrophobicContact CD2-CD1 4.32Å; Y226-I240 HydrophobicContact CE1-CD1 3.58Å; Y226-I240 HydrophobicContact CE2-CB 3.91Å; Y226-I240 HydrophobicContact CE2-CD1 4Å; Y226-I240 HydrophobicContact CE2-CG1 4.46Å; Y226-I240 HydrophobicContact CE2-CG2 4.36Å; Y226-I240 HydrophobicContact CG-CD1 4.3Å; Y226-I240 VanDerWaalsContact OH-CG2 3.22Å; Y226-I240 WeakPolarHBondContact OH-CG2 3.4Å; Y226-I244 HydrophobicContact CD2-CD1 4.41Å; Y226-I244 HydrophobicContact CD2-CG1 4.12Å; Y226-I244 HydrophobicContact CE2-CD1 4.36Å; Y226-I244 HydrophobicContact CE2-CG1 4.05Å; Y226-L359 HydrophobicContact CE1-CD2 3.89Å; Y226-L359 WeakPolarHBondContact OH-CA 3.34Å; Y226-L359 PolarHBondContact OH-O 3.34Å; Y226-I362 HydrophobicContact CD1-CG2 3.81Å; Y226-I362 HydrophobicContact CD2-CG2 4.05Å; Y226-I362 HydrophobicContact CE1-CB 4.04Å; Y226-I362 HydrophobicContact CE1-CD1 4.23Å; Y226-I362 HydrophobicContact CE1-CG2 3.63Å; Y226-I362 HydrophobicContact CE2-CG2 3.89Å; Y226-I362 HydrophobicContact CG-CG2 4.01Å; Y226-K363 HydrophobicContact CE2-CB 4.36Å; Y226-L366 HydrophobicContact CD2-CD1 3.43Å; Y226-L366 VanDerWaalsContact CD2-CD1 3.43Å; Y226-L366 HydrophobicContact CE2-CD1 4.05Å; Y226-L366 HydrophobicContact CG-CD1 4.05Å
227P98.6Very high98.3Very high8 Ų837.9 Ų37.95%0.05219%0.191CC..EExtended strand (participates in β ladder)trans-70.5131.9177.627.6-34.3000110.8Y201 L211 N225 Y358 I362Y201-P227 HydrophobicContact CD1-CB 4Å; Y201-P227 HydrophobicContact CG-CB 3.81Å; L211-P227 HydrophobicContact CB-CG 4.06Å; N225-P227 WeakPolarHBondContact O-CD 3.41Å; P227-Y358 PolarHBondContact O-OH 3.38Å; P227-I362 HydrophobicContact CG-CD1 4.2Å; P227-I362 VanDerWaalsContact O-CD1 3.29Å; P227-I362 WeakPolarHBondContact O-CD1 3.39Å
228L98.8Very high98.4Very high0 Ų037 Ų370%017%0.168CC..EExtended strand (participates in β ladder)trans-124162.7-177.3-63.6172.2000111.6F198 H199 K200 Y201 Y226 I232 Y237 I240 F274 L359F198-L228 HydrophobicContact CB-CD1 4.47Å; H199-L228 WeakPolarHBondContact O-CB 3.19Å; H199-L228 PolarHBondContact O-N 2.66Å; K200-L228 WeakPolarHBondContact CA-O 3.43Å; Y201-L228 PolarHBondContact N-O 3.12Å; Y226-L228 HydrophobicContact CD1-CD2 3.49Å; Y226-L228 VanDerWaalsContact CD1-CD2 3.49Å; Y226-L228 HydrophobicContact CD1-CG 3.98Å; Y226-L228 HydrophobicContact CE1-CD2 3.51Å; Y226-L228 HydrophobicContact CE1-CG 4.48Å; L228-I232 HydrophobicContact CD1-CD1 3.91Å; L228-I232 HydrophobicContact CD2-CD1 3.81Å; L228-I232 HydrophobicContact CG-CD1 4.43Å; L228-Y237 HydrophobicContact CD1-CD2 4.36Å; L228-Y237 HydrophobicContact CD1-CE2 4.08Å; L228-I240 HydrophobicContact CD1-CD1 4.49Å; L228-I240 HydrophobicContact CD2-CD1 3.88Å; L228-F274 HydrophobicContact CB-CE1 4.09Å; L228-F274 HydrophobicContact CB-CZ 3.72Å; L228-F274 HydrophobicContact CD1-CE2 3.91Å; L228-F274 HydrophobicContact CD1-CZ 3.62Å; L228-F274 HydrophobicContact CG-CZ 4.31Å; L228-L359 HydrophobicContact CD2-CD2 3.76Å
229R98.6Very high98.5Very high117 Ų11732.4 Ų32.444%0.44216%0.158SC..  trans-107.4172.7172.6-61.4178.7174.7-177.4-4.2110.5Q353 N354 Y358R229-Q353 HydrophobicContact CB-CB 3.89Å; R229-Q353 WeakPolarHBondContact CD-O 3.22Å; R229-N354 PolarHBondContact N-OD1 3.18Å; R229-N354 PolarHBondContact O-ND2 2.99Å; R229-Y358 HydrophobicContact CG-CE1 4.18Å
230D98.6Very high98.6Very high41 Ų4132.4 Ų32.422%0.21916%0.158CC..THydrogen-bonded Turntrans-58.2150.9-178-54.81.7000112.9K200 I232 C273 Q353 N354K200-D230 WeakPolarHBondContact CD-OD1 3.44Å; K200-D230 VanDerWaalsContact CE-OD1 3.24Å; K200-D230 WeakPolarHBondContact CE-OD1 3.37Å; K200-D230 IonicContact NZ-OD1 3.19Å; K200-D230 PolarHBondContact NZ-OD1 3.35Å; D230-I232 PolarHBondContact O-N 2.83Å; D230-C273 PolarHBondContact OD1-SG 3.09Å; D230-Q353 PolarHBondContact O-N 2.97Å; D230-N354 PolarHBondContact O-ND2 3.37Å
231G98.3Very high98.6Very high0 Ų028 Ų280%014%0.139CC..THydrogen-bonded Turntrans75.818.1166.600000116D233 C273 M350 N352G231-D233 PolarHBondContact O-N 3.1Å; G231-C273 PolarHBondContact N-O 3.41Å; G231-M350 VanDerWaalsContact CA-SD 3.54Å; G231-N352 VanDerWaalsContact O-CA 3.25Å; G231-N352 WeakPolarHBondContact O-CA 3.49Å; G231-N352 WeakPolarHBondContact O-CB 3.26Å
232I98.8Very high98.6Very high0 Ų028.4 Ų28.40%014%0.142CC..  trans-56133.9175-165.3162.2000110.9L228 D230 Y237 I240 F274 N275 L276L228-I232 HydrophobicContact CD1-CD1 3.91Å; L228-I232 HydrophobicContact CD2-CD1 3.81Å; L228-I232 HydrophobicContact CG-CD1 4.43Å; D230-I232 PolarHBondContact O-N 2.83Å; I232-Y237 HydrophobicContact CD1-CD2 3.9Å; I232-Y237 HydrophobicContact CD1-CG 4.47Å; I232-Y237 HydrophobicContact CG1-CD2 4.36Å; I232-Y237 HydrophobicContact CG2-CD2 4.08Å; I232-I240 HydrophobicContact CD1-CD1 4.18Å; I232-F274 HydrophobicContact CG2-CB 4.08Å; I232-F274 HydrophobicContact CG2-CD1 3.72Å; I232-F274 HydrophobicContact CG2-CD2 3.52Å; I232-F274 HydrophobicContact CG2-CE1 3.98Å; I232-F274 HydrophobicContact CG2-CE2 3.82Å; I232-F274 HydrophobicContact CG2-CG 3.49Å; I232-F274 VanDerWaalsContact CG2-CG 3.49Å; I232-F274 HydrophobicContact CG2-CZ 4.05Å; I232-N275 CarbonylContact O-C 3.6Å; I232-N275 WeakPolarHBondContact O-CA 3.36Å; I232-N275 WeakPolarHBondContact O-CB 3.36Å; I232-N275 PolarHBondContact O-N 3.4Å; I232-L276 HydrophobicContact CG2-CD2 4.34Å
233D98.5Very high98.6Very high40 Ų4029.3 Ų29.321%0.21415%0.151CC..  trans-99.2169.9179.754.340.2000112.3G231 E235 S236 Y237 N352G231-D233 PolarHBondContact O-N 3.1Å; D233-E235 VanDerWaalsContact C-N 3.31Å; D233-E235 PolarHBondContact O-N 3.01Å; D233-S236 PolarHBondContact O-N 2.92Å; D233-S236 WeakPolarHBondContact OD1-CA 3.19Å; D233-S236 WeakPolarHBondContact OD1-CB 3.44Å; D233-S236 PolarHBondContact OD1-N 3.48Å; D233-S236 PolarHBondContact OD1-OG 3.18Å; D233-Y237 WeakPolarHBondContact O-CB 3.43Å; D233-Y237 PolarHBondContact O-N 3.18Å; D233-N352 VanDerWaalsContact CG-ND2 3.34Å; D233-N352 PolarHBondContact OD2-ND2 3.16Å
234D98.7Very high98.6Very high22 Ų2229.1 Ų29.112%0.11815%0.149CC..Hα-helixtrans-58.1-43.3-177.5-70.9-6.2000111.9E238 L276 T277 G280D234-E238 VanDerWaalsContact O-CB 3.31Å; D234-E238 WeakPolarHBondContact O-CB 3.23Å; D234-E238 PolarHBondContact O-N 3.09Å; D234-L276 VanDerWaalsContact OD1-CA 3.32Å; D234-L276 WeakPolarHBondContact OD1-CA 3.44Å; D234-T277 PolarHBondContact OD1-N 2.93Å; D234-T277 WeakPolarHBondContact OD2-CB 3.44Å; D234-T277 VanDerWaalsContact OD2-CG2 3.31Å; D234-T277 WeakPolarHBondContact OD2-CG2 3.25Å; D234-T277 PolarHBondContact OD2-OG1 3.08Å; D234-G280 VanDerWaalsContact CG-CA 3.48Å; D234-G280 WeakPolarHBondContact OD1-CA 3.41Å; D234-G280 PolarHBondContact OD2-N 3Å
235E98.4Very high98.6Very high137 Ų13728.8 Ų28.864%0.6415%0.147SC*.Hα-helixtrans-65.6-47.2-178-66.275-164.100111.7D233 A239D233-E235 VanDerWaalsContact C-N 3.31Å; D233-E235 PolarHBondContact O-N 3.01Å; E235-A239 VanDerWaalsContact O-CB 3.24Å; E235-A239 WeakPolarHBondContact O-CB 3.5Å; E235-A239 PolarHBondContact O-N 3.47Å
236S98.6Very high98.6Very high14 Ų1430.4 Ų30.410%0.09816%0.161CC..Hα-helixtrans-64.6-43.4178.4-58.40000111D233 A239 I240 N352D233-S236 PolarHBondContact O-N 2.92Å; D233-S236 WeakPolarHBondContact OD1-CA 3.19Å; D233-S236 WeakPolarHBondContact OD1-CB 3.44Å; D233-S236 PolarHBondContact OD1-N 3.48Å; D233-S236 PolarHBondContact OD1-OG 3.18Å; S236-A239 PolarHBondContact O-N 2.94Å; S236-I240 WeakPolarHBondContact O-CG1 3.46Å; S236-I240 PolarHBondContact O-N 3.17Å; S236-N352 PolarHBondContact OG-ND2 3.02Å; S236-N352 VanDerWaalsContact OG-ND2 3.12Å
237Y98.8Very high98.6Very high2 Ų231.7 Ų31.71%0.00817%0.166CC..Hα-helixtrans-65.8-45.8-179.4-159.9-78.8000111.2I175 F198 L228 I232 D233 A239 I240 F241 F274 L276I175-Y237 WeakPolarHBondContact CG2-OH 3.48Å; F198-Y237 HydrophobicContact CB-CE2 4.22Å; F198-Y237 VanDerWaalsContact CB-OH 3.24Å; F198-Y237 WeakPolarHBondContact CB-OH 3.49Å; L228-Y237 HydrophobicContact CD1-CD2 4.36Å; L228-Y237 HydrophobicContact CD1-CE2 4.08Å; I232-Y237 HydrophobicContact CD1-CD2 3.9Å; I232-Y237 HydrophobicContact CD1-CG 4.47Å; I232-Y237 HydrophobicContact CG1-CD2 4.36Å; I232-Y237 HydrophobicContact CG2-CD2 4.08Å; D233-Y237 WeakPolarHBondContact O-CB 3.43Å; D233-Y237 PolarHBondContact O-N 3.18Å; Y237-A239 VanDerWaalsContact C-N 3.32Å; Y237-A239 PolarHBondContact O-N 3.44Å; Y237-I240 WeakPolarHBondContact O-CG1 3.5Å; Y237-I240 PolarHBondContact O-N 2.84Å; Y237-F241 HydrophobicContact CD1-CB 4.12Å; Y237-F241 HydrophobicContact CE1-CB 4.17Å; Y237-F241 AromaticContact CE1-CD2 3.92Å; Y237-F241 HydrophobicContact CE1-CD2 3.92Å; Y237-F241 HydrophobicContact CE1-CG 4.3Å; Y237-F241 WeakPolarHBondContact O-CB 3.44Å; Y237-F241 PolarHBondContact O-N 2.85Å; Y237-F274 HydrophobicContact CE2-CE2 4.29Å; Y237-L276 HydrophobicContact CD2-CD1 3.88Å; Y237-L276 HydrophobicContact CD2-CD2 4.03Å; Y237-L276 HydrophobicContact CD2-CG 4.49Å; Y237-L276 HydrophobicContact CE2-CD1 4.02Å; Y237-L276 HydrophobicContact CG-CD1 4.18Å; Y237-L276 HydrophobicContact CG-CD2 3.97Å
238E98.6Very high98.6Very high51 Ų5131.3 Ų31.324%0.23816%0.164CC..Hα-helixtrans-61.7-40.7176.4-177.9176.5-16500112D234 I240 F241 K242 K283D234-E238 VanDerWaalsContact O-CB 3.31Å; D234-E238 WeakPolarHBondContact O-CB 3.23Å; D234-E238 PolarHBondContact O-N 3.09Å; E238-I240 PolarHBondContact O-N 3.49Å; E238-F241 PolarHBondContact O-N 3.46Å; E238-K242 HydrophobicContact CG-CD 3.92Å; E238-K242 HydrophobicContact CG-CG 4.29Å; E238-K242 PolarHBondContact O-N 3.24Å; E238-K242 VanDerWaalsContact OE1-CE 3.27Å; E238-K242 WeakPolarHBondContact OE1-CE 3.45Å; E238-K242 IonicContact OE1-NZ 3.82Å; E238-K242 PolarHBondContact OE1-NZ 3.45Å; E238-K283 IonicContact OE1-NZ 3.39Å; E238-K283 WeakPolarHBondContact OE2-CD 3.16Å; E238-K283 WeakPolarHBondContact OE2-CE 3.46Å; E238-K283 IonicContact OE2-NZ 3.83Å; E238-K283 PolarHBondContact OE2-NZ 2.56Å
239A98.4Very high98.5Very high55 Ų5532.2 Ų32.246%0.45517%0.168SC..Hα-helixtrans-64.3-22.2-179.700000113.7E235 S236 Y237 P243E235-A239 VanDerWaalsContact O-CB 3.24Å; E235-A239 WeakPolarHBondContact O-CB 3.5Å; E235-A239 PolarHBondContact O-N 3.47Å; S236-A239 PolarHBondContact O-N 2.94Å; Y237-A239 VanDerWaalsContact C-N 3.32Å; Y237-A239 PolarHBondContact O-N 3.44Å; A239-P243 VanDerWaalsContact O-CD 3.25Å; A239-P243 WeakPolarHBondContact O-CD 3.48Å; A239-P243 VanDerWaalsContact O-CG 3.25Å; A239-P243 WeakPolarHBondContact O-CG 3.48Å
240I98.5Very high98.4Very high2 Ų231.6 Ų31.61%0.0117%0.171CC..Hα-helixtrans-100.3-38.5175.664.4166000112.4F198 Y226 L228 I232 S236 Y237 E238 P243 I244 L359F198-I240 HydrophobicContact CD1-CD1 4.27Å; Y226-I240 HydrophobicContact CD1-CD1 3.93Å; Y226-I240 HydrophobicContact CD2-CD1 4.32Å; Y226-I240 HydrophobicContact CE1-CD1 3.58Å; Y226-I240 HydrophobicContact CE2-CB 3.91Å; Y226-I240 HydrophobicContact CE2-CD1 4Å; Y226-I240 HydrophobicContact CE2-CG1 4.46Å; Y226-I240 HydrophobicContact CE2-CG2 4.36Å; Y226-I240 HydrophobicContact CG-CD1 4.3Å; Y226-I240 VanDerWaalsContact OH-CG2 3.22Å; Y226-I240 WeakPolarHBondContact OH-CG2 3.4Å; L228-I240 HydrophobicContact CD1-CD1 4.49Å; L228-I240 HydrophobicContact CD2-CD1 3.88Å; I232-I240 HydrophobicContact CD1-CD1 4.18Å; S236-I240 WeakPolarHBondContact O-CG1 3.46Å; S236-I240 PolarHBondContact O-N 3.17Å; Y237-I240 WeakPolarHBondContact O-CG1 3.5Å; Y237-I240 PolarHBondContact O-N 2.84Å; E238-I240 PolarHBondContact O-N 3.49Å; I240-P243 WeakPolarHBondContact O-CD 3.5Å; I240-I244 WeakPolarHBondContact O-CB 3.42Å; I240-I244 VanDerWaalsContact O-CG1 3.24Å; I240-I244 WeakPolarHBondContact O-CG1 3.35Å; I240-I244 PolarHBondContact O-N 3.13Å; I240-L359 HydrophobicContact CD1-CD2 4.36Å; I240-L359 HydrophobicContact CG2-CB 4.03Å; I240-L359 HydrophobicContact CG2-CD1 4.21Å; I240-L359 HydrophobicContact CG2-CD2 4.33Å; I240-L359 HydrophobicContact CG2-CG 4.42Å
241F98.8Very high98.3Very high3 Ų329.9 Ų29.91%0.01316%0.161CC..Hα-helixtrans-64.9-52.3-174.8-177.2-92.4000110.6I173 I175 F198 Y237 E238 I244 M245 C284 Y287 I288I173-F241 HydrophobicContact CG2-CE2 4.04Å; I173-F241 HydrophobicContact CG2-CZ 4.26Å; I175-F241 HydrophobicContact CG2-CE2 3.85Å; F198-F241 HydrophobicContact CD2-CD2 4.02Å; F198-F241 HydrophobicContact CD2-CE2 4.21Å; F198-F241 HydrophobicContact CE1-CD2 4.27Å; F198-F241 AromaticContact CE2-CD2 3.55Å; F198-F241 HydrophobicContact CE2-CD2 3.55Å; F198-F241 AromaticContact CE2-CE2 3.74Å; F198-F241 HydrophobicContact CE2-CE2 3.74Å; F198-F241 AromaticContact CZ-CD2 3.69Å; F198-F241 HydrophobicContact CZ-CD2 3.69Å; F198-F241 HydrophobicContact CZ-CE2 4.28Å; F198-F241 HydrophobicContact CZ-CG 4.46Å; Y237-F241 HydrophobicContact CD1-CB 4.12Å; Y237-F241 HydrophobicContact CE1-CB 4.17Å; Y237-F241 AromaticContact CE1-CD2 3.92Å; Y237-F241 HydrophobicContact CE1-CD2 3.92Å; Y237-F241 HydrophobicContact CE1-CG 4.3Å; Y237-F241 WeakPolarHBondContact O-CB 3.44Å; Y237-F241 PolarHBondContact O-N 2.85Å; E238-F241 PolarHBondContact O-N 3.46Å; F241-I244 PolarHBondContact O-N 2.96Å; F241-M245 HydrophobicContact CD1-CG 4.06Å; F241-M245 HydrophobicContact CD2-CG 4.1Å; F241-M245 HydrophobicContact CE1-CB 4.47Å; F241-M245 HydrophobicContact CE1-CG 3.8Å; F241-M245 HydrophobicContact CE2-CG 3.85Å; F241-M245 HydrophobicContact CE2-SD 4.47Å; F241-M245 HydrophobicContact CG-CG 4.2Å; F241-M245 HydrophobicContact CZ-CG 3.69Å; F241-M245 WeakPolarHBondContact O-CB 3.45Å; F241-M245 VanDerWaalsContact O-CG 3.28Å; F241-M245 WeakPolarHBondContact O-CG 3.48Å; F241-M245 PolarHBondContact O-N 3.43Å; F241-C284 HydrophobicContact CD1-CB 4.3Å; F241-C284 HydrophobicContact CE1-CB 3.77Å; F241-C284 HydrophobicContact CE2-CB 4.07Å; F241-C284 HydrophobicContact CZ-CB 3.64Å; F241-Y287 HydrophobicContact CD1-CD1 4.17Å; F241-Y287 AromaticContact CE1-CD1 3.94Å; F241-Y287 HydrophobicContact CE1-CD1 3.94Å; F241-I288 HydrophobicContact CE1-CD1 4.09Å; F241-I288 HydrophobicContact CE1-CG1 4.1Å; F241-I288 HydrophobicContact CZ-CD1 4Å; F241-I288 HydrophobicContact CZ-CG1 3.88Å
242K98.6Very high98.3Very high66 Ų6630.1 Ų30.129%0.28716%0.162SC..Hα-helixtrans-59.5-50.4-177.1-71.6-175.4170.21740112.4E238 I244 M245 A246 Y287E238-K242 HydrophobicContact CG-CD 3.92Å; E238-K242 HydrophobicContact CG-CG 4.29Å; E238-K242 PolarHBondContact O-N 3.24Å; E238-K242 VanDerWaalsContact OE1-CE 3.27Å; E238-K242 WeakPolarHBondContact OE1-CE 3.45Å; E238-K242 IonicContact OE1-NZ 3.82Å; E238-K242 PolarHBondContact OE1-NZ 3.45Å; K242-I244 PolarHBondContact O-N 3.21Å; K242-M245 PolarHBondContact O-N 2.96Å; K242-A246 VanDerWaalsContact O-CB 3.27Å; K242-A246 WeakPolarHBondContact O-CB 3.4Å; K242-A246 PolarHBondContact O-N 2.74Å; K242-Y287 HydrophobicContact CB-CD1 4.46Å; K242-Y287 HydrophobicContact CB-CE1 4.13Å; K242-Y287 HydrophobicContact CB-CE2 4.23Å; K242-Y287 HydrophobicContact CD-CD2 3.97Å; K242-Y287 HydrophobicContact CD-CE2 4.15Å; K242-Y287 HydrophobicContact CD-CG 4.41Å; K242-Y287 HydrophobicContact CG-CD1 3.98Å; K242-Y287 HydrophobicContact CG-CD2 3.79Å; K242-Y287 HydrophobicContact CG-CE1 4.12Å; K242-Y287 HydrophobicContact CG-CE2 3.93Å; K242-Y287 HydrophobicContact CG-CG 3.81Å; K242-Y287 PolarHBondContact O-OH 2.9Å
243P98.6Very high98.2Very high43 Ų4334.4 Ų34.428%0.27918%0.182SC..Hα-helixtrans-64.5-39.5179.5-25.937.6000114.2A239 I240 K247 K363 F367A239-P243 VanDerWaalsContact O-CD 3.25Å; A239-P243 WeakPolarHBondContact O-CD 3.48Å; A239-P243 VanDerWaalsContact O-CG 3.25Å; A239-P243 WeakPolarHBondContact O-CG 3.48Å; I240-P243 WeakPolarHBondContact O-CD 3.5Å; P243-K247 PolarHBondContact O-N 2.97Å; P243-K247 VanDerWaalsContact O-N 3.13Å; P243-K363 HydrophobicContact CB-CD 4.26Å; P243-F367 HydrophobicContact CB-CE2 4.49Å; P243-F367 HydrophobicContact CB-CZ 4.12Å
244I98.7Very high98.1Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-64.4-50.2177.6-70.8-73.9000109.8V196 F198 Y226 I240 F241 K242 A246 K247 V248 K363 L366 F367V196-I244 HydrophobicContact CG1-CG2 4.41Å; F198-I244 HydrophobicContact CE1-CB 4.44Å; F198-I244 HydrophobicContact CE1-CG2 4.34Å; F198-I244 HydrophobicContact CZ-CB 4.19Å; F198-I244 HydrophobicContact CZ-CG2 3.83Å; Y226-I244 HydrophobicContact CD2-CD1 4.41Å; Y226-I244 HydrophobicContact CD2-CG1 4.12Å; Y226-I244 HydrophobicContact CE2-CD1 4.36Å; Y226-I244 HydrophobicContact CE2-CG1 4.05Å; I240-I244 WeakPolarHBondContact O-CB 3.42Å; I240-I244 VanDerWaalsContact O-CG1 3.24Å; I240-I244 WeakPolarHBondContact O-CG1 3.35Å; I240-I244 PolarHBondContact O-N 3.13Å; F241-I244 PolarHBondContact O-N 2.96Å; K242-I244 PolarHBondContact O-N 3.21Å; I244-A246 VanDerWaalsContact C-N 3.34Å; I244-A246 PolarHBondContact O-N 2.68Å; I244-K247 PolarHBondContact O-N 2.72Å; I244-K247 VanDerWaalsContact O-N 3.1Å; I244-V248 HydrophobicContact CG2-CG2 4.34Å; I244-V248 WeakPolarHBondContact O-CG2 3.32Å; I244-V248 PolarHBondContact O-N 3.2Å; I244-K363 HydrophobicContact CD1-CG 4.01Å; I244-K363 HydrophobicContact CG1-CG 4.27Å; I244-L366 HydrophobicContact CD1-CB 3.72Å; I244-L366 HydrophobicContact CD1-CD1 3.83Å; I244-L366 HydrophobicContact CD1-CG 4.44Å; I244-F367 HydrophobicContact CD1-CD2 3.9Å; I244-F367 HydrophobicContact CD1-CE2 3.78Å; I244-F367 HydrophobicContact CG1-CE2 4.4Å
245M98.8Very high98.1Very high0 Ų033.9 Ų33.90%018%0.183CC..Hα-helixtrans-66.9-35.3-178.4-65.6-45.8-5100112.4L171 I173 V196 F198 F241 K242 K247 V248 M249 Y287 I288L171-M245 HydrophobicContact CD2-CE 3.83Å; I173-M245 HydrophobicContact CD1-CE 3.43Å; I173-M245 VanDerWaalsContact CD1-CE 3.43Å; I173-M245 HydrophobicContact CG1-CE 3.67Å; I173-M245 HydrophobicContact CG2-CE 4.45Å; I173-M245 HydrophobicContact CG2-SD 4.31Å; V196-M245 HydrophobicContact CB-SD 4.38Å; V196-M245 HydrophobicContact CG1-SD 3.85Å; F198-M245 HydrophobicContact CE2-SD 4Å; F198-M245 HydrophobicContact CZ-CG 4.43Å; F198-M245 HydrophobicContact CZ-SD 4.15Å; F241-M245 HydrophobicContact CD1-CG 4.06Å; F241-M245 HydrophobicContact CD2-CG 4.1Å; F241-M245 HydrophobicContact CE1-CB 4.47Å; F241-M245 HydrophobicContact CE1-CG 3.8Å; F241-M245 HydrophobicContact CE2-CG 3.85Å; F241-M245 HydrophobicContact CE2-SD 4.47Å; F241-M245 HydrophobicContact CG-CG 4.2Å; F241-M245 HydrophobicContact CZ-CG 3.69Å; F241-M245 WeakPolarHBondContact O-CB 3.45Å; F241-M245 VanDerWaalsContact O-CG 3.28Å; F241-M245 WeakPolarHBondContact O-CG 3.48Å; F241-M245 PolarHBondContact O-N 3.43Å; K242-M245 PolarHBondContact O-N 2.96Å; M245-K247 VanDerWaalsContact C-N 3.31Å; M245-K247 PolarHBondContact O-N 3.36Å; M245-V248 HydrophobicContact CE-CB 4.2Å; M245-V248 HydrophobicContact CE-CG1 4.03Å; M245-V248 PolarHBondContact O-N 2.92Å; M245-M249 WeakPolarHBondContact O-CB 3.31Å; M245-M249 WeakPolarHBondContact O-CG 3.36Å; M245-M249 PolarHBondContact O-N 3.25Å; M245-Y287 HydrophobicContact CB-CD1 4.2Å; M245-Y287 HydrophobicContact CB-CE1 3.83Å; M245-I288 HydrophobicContact CB-CD1 4.14Å; M245-I288 HydrophobicContact CE-CD1 4.07Å; M245-I288 HydrophobicContact CG-CD1 4.12Å
246A98.5Very high98.1Very high36 Ų3627.4 Ų27.430%0.29815%0.153SC..Hα-helixtrans-56.2-47.4170.200000111.4K242 I244 M249 E250 Y287K242-A246 VanDerWaalsContact O-CB 3.27Å; K242-A246 WeakPolarHBondContact O-CB 3.4Å; K242-A246 PolarHBondContact O-N 2.74Å; I244-A246 VanDerWaalsContact C-N 3.34Å; I244-A246 PolarHBondContact O-N 2.68Å; A246-M249 PolarHBondContact O-N 3.09Å; A246-E250 WeakPolarHBondContact O-CB 3.44Å; A246-E250 PolarHBondContact O-N 2.69Å; A246-Y287 WeakPolarHBondContact CB-OH 3.43Å
247K98.1Very high98.1Very high29 Ų2926.8 Ų26.813%0.12615%0.149CC..Hα-helixtrans-69.7-38.3-178.6-169.364.7-170164.40112P243 I244 M245 E250 M251 F367 L370P243-K247 PolarHBondContact O-N 2.97Å; P243-K247 VanDerWaalsContact O-N 3.13Å; I244-K247 PolarHBondContact O-N 2.72Å; I244-K247 VanDerWaalsContact O-N 3.1Å; M245-K247 VanDerWaalsContact C-N 3.31Å; M245-K247 PolarHBondContact O-N 3.36Å; K247-E250 VanDerWaalsContact CD-OE2 3.3Å; K247-E250 WeakPolarHBondContact CD-OE2 3.41Å; K247-E250 IonicContact NZ-OE1 2.78Å; K247-E250 PolarHBondContact NZ-OE1 2.91Å; K247-E250 IonicContact NZ-OE2 2.89Å; K247-E250 PolarHBondContact NZ-OE2 3.39Å; K247-E250 PolarHBondContact O-N 3.26Å; K247-M251 HydrophobicContact CD-CG 4.1Å; K247-M251 VanDerWaalsContact CE-SD 3.57Å; K247-M251 HydrophobicContact CG-CG 4.22Å; K247-M251 PolarHBondContact NZ-SD 3.16Å; K247-M251 VanDerWaalsContact NZ-SD 3.39Å; K247-M251 WeakPolarHBondContact O-CB 3.39Å; K247-M251 VanDerWaalsContact O-CG 3.23Å; K247-M251 WeakPolarHBondContact O-CG 3.38Å; K247-M251 PolarHBondContact O-N 3.07Å; K247-F367 HydrophobicContact CB-CE1 4.38Å; K247-F367 HydrophobicContact CB-CE2 4.26Å; K247-F367 HydrophobicContact CB-CZ 4.06Å; K247-F367 HydrophobicContact CG-CD1 4.45Å; K247-F367 HydrophobicContact CG-CE1 4.38Å; K247-F367 HydrophobicContact CG-CZ 4.49Å; K247-L370 HydrophobicContact CB-CD1 3.98Å; K247-L370 HydrophobicContact CG-CB 4.1Å; K247-L370 HydrophobicContact CG-CD1 3.78Å
248V98.4Very high98.1Very high0 Ų026.7 Ų26.70%015%0.148CC..Hα-helixtrans-58.8-50.7172.6165.30000110.4L171 M194 V196 I244 M245 E250 M251 Y252 L370L171-V248 HydrophobicContact CD1-CG1 3.64Å; L171-V248 HydrophobicContact CD2-CG1 3.84Å; L171-V248 HydrophobicContact CG-CG1 4.42Å; M194-V248 HydrophobicContact SD-CB 4.45Å; M194-V248 HydrophobicContact SD-CG1 3.63Å; M194-V248 HydrophobicContact SD-CG2 4.23Å; V196-V248 HydrophobicContact CG2-CG1 4.23Å; V196-V248 HydrophobicContact CG2-CG2 4.1Å; I244-V248 HydrophobicContact CG2-CG2 4.34Å; I244-V248 WeakPolarHBondContact O-CG2 3.32Å; I244-V248 PolarHBondContact O-N 3.2Å; M245-V248 HydrophobicContact CE-CB 4.2Å; M245-V248 HydrophobicContact CE-CG1 4.03Å; M245-V248 PolarHBondContact O-N 2.92Å; V248-E250 VanDerWaalsContact C-N 3.32Å; V248-E250 PolarHBondContact O-N 2.93Å; V248-M251 PolarHBondContact O-N 3.29Å; V248-Y252 WeakPolarHBondContact O-CA 3.18Å; V248-Y252 WeakPolarHBondContact O-CB 3.48Å; V248-Y252 PolarHBondContact O-N 3.45Å; V248-L370 HydrophobicContact CG2-CD1 3.94Å; V248-L370 HydrophobicContact CG2-CD2 3.96Å
249M97.9Very high98.2Very high19 Ų1924.3 Ų24.39%0.09414%0.137CC..Hα-helixtrans-60.8-40.9179.1-68.5-68.4-173.300112.1L171 M245 A246 Q253 P254 V257 I288 F291 L293L171-M249 HydrophobicContact CD2-CE 3.56Å; L171-M249 HydrophobicContact CD2-SD 3.87Å; M245-M249 WeakPolarHBondContact O-CB 3.31Å; M245-M249 WeakPolarHBondContact O-CG 3.36Å; M245-M249 PolarHBondContact O-N 3.25Å; A246-M249 PolarHBondContact O-N 3.09Å; M249-Q253 WeakPolarHBondContact O-CA 3.42Å; M249-Q253 PolarHBondContact O-N 2.98Å; M249-Q253 VanDerWaalsContact O-N 3.1Å; M249-P254 HydrophobicContact SD-CG 3.59Å; M249-P254 VanDerWaalsContact SD-CG 3.59Å; M249-V257 HydrophobicContact CE-CG2 4.09Å; M249-I288 HydrophobicContact CE-CD1 4.15Å; M249-F291 HydrophobicContact CB-CD1 4.04Å; M249-F291 HydrophobicContact CB-CE1 3.72Å; M249-F291 HydrophobicContact CB-CZ 4.19Å; M249-F291 HydrophobicContact CE-CB 4.31Å; M249-F291 HydrophobicContact CE-CD2 3.85Å; M249-F291 HydrophobicContact CE-CE2 4.33Å; M249-F291 HydrophobicContact CE-CG 4.03Å; M249-F291 HydrophobicContact CG-CD1 3.79Å; M249-F291 HydrophobicContact CG-CD2 4.17Å; M249-F291 HydrophobicContact CG-CE1 3.63Å; M249-F291 HydrophobicContact CG-CE2 4.03Å; M249-F291 HydrophobicContact CG-CG 4.06Å; M249-F291 HydrophobicContact CG-CZ 3.75Å; M249-F291 HydrophobicContact SD-CD1 4.35Å; M249-F291 HydrophobicContact SD-CG 4.23Å; M249-L293 HydrophobicContact SD-CD1 4.29Å
250E96.4Very high98.2Very high104 Ų10421.7 Ų21.749%0.48612%0.115SC..Hα-helixtrans-61.9-47.3176.8-173.7-160.4147.400112.6A246 K247 V248 Q253A246-E250 WeakPolarHBondContact O-CB 3.44Å; A246-E250 PolarHBondContact O-N 2.69Å; K247-E250 VanDerWaalsContact CD-OE2 3.3Å; K247-E250 WeakPolarHBondContact CD-OE2 3.41Å; K247-E250 IonicContact NZ-OE1 2.78Å; K247-E250 PolarHBondContact NZ-OE1 2.91Å; K247-E250 IonicContact NZ-OE2 2.89Å; K247-E250 PolarHBondContact NZ-OE2 3.39Å; K247-E250 PolarHBondContact O-N 3.26Å; V248-E250 VanDerWaalsContact C-N 3.32Å; V248-E250 PolarHBondContact O-N 2.93Å; E250-Q253 WeakPolarHBondContact O-CG 3.43Å; E250-Q253 PolarHBondContact O-NE2 2.64Å
251M96.2Very high98.2Very high4 Ų421.6 Ų21.62%0.0212%0.115CC..Hα-helixtrans-85.1-43.8-171.8-63.2-56.5-56.600112.6K247 V248 L370 L373K247-M251 HydrophobicContact CD-CG 4.1Å; K247-M251 VanDerWaalsContact CE-SD 3.57Å; K247-M251 HydrophobicContact CG-CG 4.22Å; K247-M251 PolarHBondContact NZ-SD 3.16Å; K247-M251 VanDerWaalsContact NZ-SD 3.39Å; K247-M251 WeakPolarHBondContact O-CB 3.39Å; K247-M251 VanDerWaalsContact O-CG 3.23Å; K247-M251 WeakPolarHBondContact O-CG 3.38Å; K247-M251 PolarHBondContact O-N 3.07Å; V248-M251 PolarHBondContact O-N 3.29Å; M251-L370 WeakPolarHBondContact CE-O 3.22Å; M251-L370 HydrophobicContact CG-CB 4.49Å; M251-L373 HydrophobicContact CB-CB 4.44Å; M251-L373 HydrophobicContact CB-CD2 4.44Å; M251-L373 HydrophobicContact CE-CB 4.16Å
252Y97.2Very high98.2Very high5 Ų521.4 Ų21.42%0.0211%0.114CC..Hα-helixtrans-87.5-28.4-174-175.3-119.3000112.6R169 V170 L171 R192 V193 M194 Y222 V248 P254 L373R169-Y252 HydrophobicContact CB-CE1 4.05Å; R169-Y252 HydrophobicContact CB-CE2 4.26Å; R169-Y252 WeakPolarHBondContact CD-O 3.16Å; R169-Y252 HydrophobicContact CG-CE2 4.08Å; R169-Y252 PolarHBondContact NE-O 3.1Å; V170-Y252 VanDerWaalsContact O-CE1 3.32Å; V170-Y252 WeakPolarHBondContact O-CE1 3.25Å; V170-Y252 PolarHBondContact O-OH 3.46Å; L171-Y252 HydrophobicContact CB-CD1 4.23Å; L171-Y252 HydrophobicContact CB-CE1 4.08Å; L171-Y252 HydrophobicContact CD1-CD1 4.38Å; R192-Y252 PolarHBondContact O-OH 2.79Å; V193-Y252 VanDerWaalsContact C-OH 3.32Å; V193-Y252 WeakPolarHBondContact CA-OH 3.45Å; V193-Y252 PolarHBondContact N-OH 3.43Å; M194-Y252 HydrophobicContact CB-CD1 3.7Å; M194-Y252 HydrophobicContact CB-CD2 3.96Å; M194-Y252 HydrophobicContact CB-CE1 3.48Å; M194-Y252 VanDerWaalsContact CB-CE1 3.48Å; M194-Y252 HydrophobicContact CB-CE2 3.78Å; M194-Y252 HydrophobicContact CB-CG 3.93Å; M194-Y252 HydrophobicContact CE-CD2 3.75Å; M194-Y252 HydrophobicContact CE-CG 3.83Å; M194-Y252 HydrophobicContact CG-CD1 4.49Å; M194-Y252 PolarHBondContact N-OH 3.44Å; M194-Y252 VanDerWaalsContact N-OH 3.11Å; M194-Y252 HydrophobicContact SD-CD1 4.13Å; M194-Y252 HydrophobicContact SD-CD2 4.27Å; M194-Y252 HydrophobicContact SD-CG 3.81Å; Y222-Y252 AromaticContact CD1-CD2 3.83Å; Y222-Y252 HydrophobicContact CD1-CD2 3.83Å; Y222-Y252 AromaticContact CD1-CE2 3.57Å; Y222-Y252 HydrophobicContact CD1-CE2 3.57Å; Y222-Y252 AromaticContact CE1-CD2 3.69Å; Y222-Y252 HydrophobicContact CE1-CD2 3.69Å; Y222-Y252 AromaticContact CE1-CE2 3.59Å; Y222-Y252 HydrophobicContact CE1-CE2 3.59Å; V248-Y252 WeakPolarHBondContact O-CA 3.18Å; V248-Y252 WeakPolarHBondContact O-CB 3.48Å; V248-Y252 PolarHBondContact O-N 3.45Å; Y252-P254 HydrophobicContact CD1-CB 3.91Å; Y252-P254 HydrophobicContact CD1-CG 4.22Å; Y252-P254 HydrophobicContact CE1-CB 3.95Å; Y252-L373 HydrophobicContact CD2-CD2 4.21Å
253Q96.9Very high98.2Very high91 Ų9118.3 Ų18.343%0.42510%0.101SC..  trans46.859.5177.7-59.8171.126.600112.7R169 M249 E250 H375R169-Q253 VanDerWaalsContact CZ-O 3.27Å; R169-Q253 PolarHBondContact NE-O 2.87Å; R169-Q253 PolarHBondContact NH2-O 3.25Å; M249-Q253 WeakPolarHBondContact O-CA 3.42Å; M249-Q253 PolarHBondContact O-N 2.98Å; M249-Q253 VanDerWaalsContact O-N 3.1Å; E250-Q253 WeakPolarHBondContact O-CG 3.43Å; E250-Q253 PolarHBondContact O-NE2 2.64Å; Q253-H375 PolarHBondContact NE2-O 2.86Å
254P97.8Very high98.2Very high11 Ų1116.3 Ų16.37%0.0719%0.088CC..  trans-65.4157.7179.430-35.3000111.7L171 M249 Y252 L293L171-P254 HydrophobicContact CB-CB 3.56Å; L171-P254 HydrophobicContact CB-CG 3.72Å; L171-P254 HydrophobicContact CD2-CG 3.9Å; L171-P254 HydrophobicContact CG-CG 4.46Å; M249-P254 HydrophobicContact SD-CG 3.59Å; M249-P254 VanDerWaalsContact SD-CG 3.59Å; Y252-P254 HydrophobicContact CD1-CB 3.91Å; Y252-P254 HydrophobicContact CD1-CG 4.22Å; Y252-P254 HydrophobicContact CE1-CB 3.95Å; P254-L293 HydrophobicContact CB-CD1 4.46Å; P254-L293 HydrophobicContact CG-CD1 3.86Å; P254-L293 VanDerWaalsContact O-CD1 3.32Å; P254-L293 WeakPolarHBondContact O-CD1 3.37Å
255S98Very high98.2Very high40 Ų4016.3 Ų16.328%0.289%0.088SC..SBendtrans-108.2-7.7173.855.10000113.8H167 R169 P294H167-S255 WeakPolarHBondContact CB-OG 3.24Å; H167-S255 PolarHBondContact CE1-O 3.29Å; H167-S255 PolarHBondContact ND1-O 2.88Å; H167-S255 PolarHBondContact ND1-OG 3.12Å; R169-S255 PolarHBondContact O-N 2.95Å; R169-S255 PolarHBondContact O-OG 3.3Å; S255-P294 WeakPolarHBondContact O-CD 3.35Å
256A98.8Very high98.2Very high0 Ų016.3 Ų16.30%09%0.088CC..EExtended strand (participates in β ladder)trans-151.7152.4171.600000109.3L163 H167 L171 P294L163-A256 HydrophobicContact CD1-CB 4.45Å; L163-A256 HydrophobicContact CD2-CB 4.45Å; H167-A256 HydrophobicContact CB-CB 4.22Å; L171-A256 PolarHBondContact N-O 3.33Å; A256-P294 HydrophobicContact CB-CB 4.35Å
257V98.9Very high98.2Very high2 Ų215 Ų151%0.0128%0.076CC..EExtended strand (participates in β ladder)trans-126.5136.3-178.7-175.20000110.1L171 I173 M249 I288 L293 P294 L295 L296L171-V257 HydrophobicContact CB-CG2 4.45Å; L171-V257 HydrophobicContact CD2-CG2 4.49Å; L171-V257 CarbonylContact O-C 3.5Å; L171-V257 WeakPolarHBondContact O-CA 3.42Å; I173-V257 HydrophobicContact CD1-CG1 3.67Å; I173-V257 HydrophobicContact CG1-CG1 4.25Å; M249-V257 HydrophobicContact CE-CG2 4.09Å; V257-I288 HydrophobicContact CG1-CG2 3.8Å; V257-L293 HydrophobicContact CG2-CB 4.14Å; V257-L293 HydrophobicContact CG2-CD1 3.88Å; V257-P294 PolarHBondContact N-O 2.77Å; V257-L295 HydrophobicContact CB-CD1 3.9Å; V257-L295 HydrophobicContact CG1-CD1 3.84Å; V257-L295 WeakPolarHBondContact O-CA 3.43Å; V257-L296 PolarHBondContact O-N 2.87Å
258V98.9Very high98.2Very high0 Ų016.1 Ų16.10%010%0.096CC..EExtended strand (participates in β ladder)trans-113.5120.2165.8-177.20000107.4I156 I160 L163 V170 L171 Y172 I173 L296 L298I156-V258 HydrophobicContact CG2-CG1 3.98Å; I160-V258 HydrophobicContact CG1-CB 4.46Å; I160-V258 HydrophobicContact CG1-CG2 3.83Å; L163-V258 HydrophobicContact CD1-CG2 3.51Å; V170-V258 HydrophobicContact CG1-CG2 4.15Å; L171-V258 PolarHBondContact O-N 3.07Å; Y172-V258 CarbonylContact C-O 3.55Å; Y172-V258 WeakPolarHBondContact CA-O 3.39Å; Y172-V258 HydrophobicContact CD2-CB 4.1Å; Y172-V258 HydrophobicContact CD2-CG1 4.02Å; Y172-V258 HydrophobicContact CE2-CG1 4.34Å; I173-V258 PolarHBondContact N-O 3.44Å; V258-L296 CarbonylContact C-O 3.55Å; V258-L296 WeakPolarHBondContact CA-O 3.4Å; V258-L296 HydrophobicContact CG1-CB 4.42Å; V258-L296 HydrophobicContact CG1-CD2 4.18Å; V258-L296 HydrophobicContact CG1-CG 4.43Å; V258-L296 HydrophobicContact CG2-CB 4.19Å; V258-L296 HydrophobicContact CG2-CD2 4.22Å; V258-L298 HydrophobicContact CG1-CD1 3.85Å; V258-L298 HydrophobicContact CG1-CG 4.39Å
259L98.9Very high98.2Very high0 Ų017 Ų170%010%0.1CC..EExtended strand (participates in β ladder)trans-113.4111178.4178.364000108.6I173 I175 V285 L295 L296 M297 L298I173-L259 HydrophobicContact CB-CD1 3.69Å; I173-L259 HydrophobicContact CG2-CD1 3.68Å; I173-L259 WeakPolarHBondContact O-CA 3.38Å; I175-L259 HydrophobicContact CG2-CD1 4.46Å; L259-V285 HydrophobicContact CD2-CB 4.35Å; L259-V285 HydrophobicContact CD2-CG2 3.83Å; L259-L295 HydrophobicContact CB-CD1 3.96Å; L259-L296 PolarHBondContact N-O 3.4Å; L259-M297 WeakPolarHBondContact O-CA 3.4Å; L259-L298 PolarHBondContact O-N 3.44Å
260Q98.9Very high98.2Very high0 Ų023.3 Ų23.30%012%0.123CC..EExtended strand (participates in β ladder)trans-81.5125.6169.2-168.4-82.312.200107.4G138 I156 Y172 I173 D174 I175 D176 G299G138-Q260 PolarHBondContact O-NE2 3.31Å; I156-Q260 HydrophobicContact CD1-CB 4.47Å; I156-Q260 HydrophobicContact CD1-CG 4.02Å; Y172-Q260 HydrophobicContact CE2-CB 3.91Å; Y172-Q260 WeakPolarHBondContact OH-CB 3.44Å; I173-Q260 PolarHBondContact O-N 2.97Å; D174-Q260 PolarHBondContact OD1-OE1 3.47Å; I175-Q260 VanDerWaalsContact CG1-O 3.29Å; I175-Q260 WeakPolarHBondContact CG1-O 3.21Å; I175-Q260 PolarHBondContact N-O 3.33Å; D176-Q260 PolarHBondContact OD2-NE2 3.1Å; Q260-G299 WeakPolarHBondContact CG-O 3.49Å
261C98.9Very high98.2Very high0 Ų021.8 Ų21.80%012%0.118CC..  trans-111.555.5-175.2-59.50000111W135 A263 L298 G299 W312W135-C261 HydrophobicContact CH2-CB 4.46Å; W135-C261 HydrophobicContact CZ3-CB 3.89Å; C261-A263 PolarHBondContact O-N 2.93Å; C261-L298 VanDerWaalsContact CB-O 3.29Å; C261-L298 WeakPolarHBondContact CB-O 3.42Å; C261-L298 PolarHBondContact N-O 2.89Å; C261-G299 CarbonylContact C-O 3.58Å; C261-G299 PolarHBondContact N-O 3.33Å; C261-G299 VanDerWaalsContact N-O 3.1Å; C261-W312 PolarHBondContact O-NE1 2.95Å
262G98.8Very high98.3Very high0 Ų022.2 Ų22.20%012%0.124CC..  trans-57.5115.2177.900000112.2D176 D264 S265 H281D176-G262 WeakPolarHBondContact OD2-CA 3.42Å; G262-D264 VanDerWaalsContact C-N 3.31Å; G262-D264 PolarHBondContact O-N 3.19Å; G262-S265 PolarHBondContact O-OG 3.28Å; G262-S265 VanDerWaalsContact O-OG 3.09Å; G262-H281 PolarHBondContact O-NE2 2.64Å; G262-H281 VanDerWaalsContact O-NE2 3.14Å
263A98.8Very high98.3Very high1 Ų123.1 Ų23.11%0.00813%0.13CC..G310 helixtrans-88.77.7-170.700000113.7C261 S265 L266 G301 V308 C311C261-A263 PolarHBondContact O-N 2.93Å; A263-S265 VanDerWaalsContact C-N 3.31Å; A263-L266 HydrophobicContact CB-CD1 4.03Å; A263-L266 WeakPolarHBondContact O-CB 3.31Å; A263-L266 WeakPolarHBondContact O-CD1 3.5Å; A263-L266 WeakPolarHBondContact O-CG 3.18Å; A263-G301 PolarHBondContact N-O 3.39Å; A263-V308 HydrophobicContact CB-CB 4.36Å; A263-V308 HydrophobicContact CB-CG1 4.22Å; A263-V308 HydrophobicContact CB-CG2 3.99Å; A263-C311 HydrophobicContact CB-CB 4.48Å
264D98.7Very high98.4Very high0 Ų018.9 Ų18.90%011%0.111CC..G310 helixtrans-82.6-7.6172.351.710.5000113.5D176 I177 H178 G262 L266 G272 G301 Y303D176-D264 VanDerWaalsContact CG-OD1 3.26Å; D176-D264 VanDerWaalsContact OD1-OD1 3.1Å; I177-D264 HydrophobicContact CG2-CB 3.97Å; I177-D264 VanDerWaalsContact CG2-CG 3.44Å; I177-D264 WeakPolarHBondContact CG2-OD1 3.31Å; I177-D264 PolarHBondContact N-OD1 2.58Å; I177-D264 VanDerWaalsContact N-OD1 3.07Å; H178-D264 IonicContact CE1-OD2 3.76Å; H178-D264 PolarHBondContact CE1-OD2 2.86Å; H178-D264 IonicContact ND1-OD2 3.28Å; H178-D264 PolarHBondContact ND1-OD2 3.46Å; H178-D264 VanDerWaalsContact ND1-OD2 3.07Å; G262-D264 VanDerWaalsContact C-N 3.31Å; G262-D264 PolarHBondContact O-N 3.19Å; D264-L266 PolarHBondContact O-N 2.84Å; D264-G272 WeakPolarHBondContact O-CA 3.43Å; D264-G301 WeakPolarHBondContact OD2-CA 3.46Å; D264-Y303 HydrophobicContact CB-CD2 3.84Å; D264-Y303 HydrophobicContact CB-CE2 3.73Å; D264-Y303 VanDerWaalsContact OD2-CE2 3.28Å; D264-Y303 WeakPolarHBondContact OD2-CE2 3.37Å
265S98.8Very high98.4Very high0 Ų018.8 Ų18.80%011%0.109CC..G310 helixtrans-73.5-5.2166.263.10000113.2I175 G262 A263 F274 L276 H281I175-S265 WeakPolarHBondContact O-CB 3.03Å; I175-S265 PolarHBondContact O-OG 2.88Å; I175-S265 VanDerWaalsContact O-OG 3.13Å; G262-S265 PolarHBondContact O-OG 3.28Å; G262-S265 VanDerWaalsContact O-OG 3.09Å; A263-S265 VanDerWaalsContact C-N 3.31Å; S265-F274 WeakPolarHBondContact O-CB 3.44Å; S265-L276 WeakPolarHBondContact O-CB 3.43Å; S265-L276 WeakPolarHBondContact O-CG 3.49Å; S265-H281 PolarHBondContact OG-CD2 3.22Å; S265-H281 PolarHBondContact OG-NE2 3.46Å
266L98.8Very high98.5Very high1 Ų116.9 Ų16.91%0.00510%0.096CC..BIsolated β-bridgetrans-76.5151.8177.9-64.8174.1000113.3A263 D264 G268 D269 I278 H281 N307 C311 I345A263-L266 HydrophobicContact CB-CD1 4.03Å; A263-L266 WeakPolarHBondContact O-CB 3.31Å; A263-L266 WeakPolarHBondContact O-CD1 3.5Å; A263-L266 WeakPolarHBondContact O-CG 3.18Å; D264-L266 PolarHBondContact O-N 2.84Å; L266-G268 PolarHBondContact O-N 2.92Å; L266-D269 WeakPolarHBondContact O-CB 3.47Å; L266-D269 PolarHBondContact O-N 3.39Å; L266-I278 HydrophobicContact CD1-CG1 4.49Å; L266-I278 HydrophobicContact CD2-CG1 4.43Å; L266-H281 HydrophobicContact CD2-CB 3.82Å; L266-N307 HydrophobicContact CD1-CB 4.33Å; L266-C311 HydrophobicContact CD1-CB 3.64Å; L266-I345 HydrophobicContact CB-CD1 4.44Å
267S98.6Very high98.5Very high8 Ų817.5 Ų17.56%0.05610%0.1CC..THydrogen-bonded Turntrans-55.7132.3169.8175.40000111.8D269 N275 L276 N307 S348S267-D269 VanDerWaalsContact C-N 3.29Å; S267-D269 PolarHBondContact O-N 3.33Å; S267-N275 PolarHBondContact OG-OD1 2.85Å; S267-N275 VanDerWaalsContact OG-OD1 3.13Å; S267-L276 WeakPolarHBondContact CB-O 3.01Å; S267-L276 PolarHBondContact N-O 2.95Å; S267-N307 PolarHBondContact O-ND2 3.15Å; S267-S348 PolarHBondContact OG-N 3.24Å
268G97.1Very high98.5Very high52 Ų5217.4 Ų17.454%0.53610%0.099SC..THydrogen-bonded Turntrans71.622.1176.800000113.9L266 T304L266-G268 PolarHBondContact O-N 2.92Å; G268-T304 PolarHBondContact O-OG1 3.09Å
269D98.6Very high98.5Very high18 Ų1822.7 Ų22.710%0.09612%0.122CC..  trans-61.8155.3165.1-170.4-95.2000111.5L266 S267 L271 G272 Y303 T304L266-D269 WeakPolarHBondContact O-CB 3.47Å; L266-D269 PolarHBondContact O-N 3.39Å; S267-D269 VanDerWaalsContact C-N 3.29Å; S267-D269 PolarHBondContact O-N 3.33Å; D269-L271 PolarHBondContact OD1-N 3.01Å; D269-G272 PolarHBondContact OD1-N 2.85Å; D269-Y303 WeakPolarHBondContact OD1-CD2 3.08Å; D269-Y303 WeakPolarHBondContact OD2-CA 3.46Å; D269-Y303 PolarHBondContact OD2-N 3.38Å; D269-T304 WeakPolarHBondContact CA-OG1 3.24Å; D269-T304 PolarHBondContact OD2-N 3.07Å
270R97.8Very high98.4Very high153 Ų15323 Ų2358%0.57713%0.125SC*.SBendtrans-78.3-27.3-178.4-66-176.666.5-155.4-3.4113.6Y303 T304R270-Y303 VanDerWaalsContact CD-O 3.23Å; R270-Y303 WeakPolarHBondContact CD-O 3.49Å; R270-T304 PolarHBondContact N-OG1 3.18Å
271L97.4Very high98.4Very high72 Ų7223 Ų2338%0.37713%0.125SC..SBendtrans-114.3-34.1-179.8-56.7-172.2000111.5P29 F150 Y204 D269 Y303P29-L271 HydrophobicContact CB-CD1 4.09Å; P29-L271 HydrophobicContact CB-CG 4.49Å; P29-L271 HydrophobicContact CG-CD1 4.04Å; F150-L271 HydrophobicContact CE2-CD1 4.11Å; F150-L271 HydrophobicContact CZ-CD1 4.39Å; Y204-L271 PolarHBondContact OH-O 2.79Å; D269-L271 PolarHBondContact OD1-N 3.01Å; L271-Y303 HydrophobicContact CB-CD2 3.69Å; L271-Y303 HydrophobicContact CB-CE2 4.03Å; L271-Y303 HydrophobicContact CB-CG 4.4Å; L271-Y303 HydrophobicContact CD1-CD1 3.99Å; L271-Y303 HydrophobicContact CD1-CD2 3.59Å; L271-Y303 HydrophobicContact CD1-CE1 3.96Å; L271-Y303 HydrophobicContact CD1-CE2 3.58Å; L271-Y303 HydrophobicContact CD1-CG 3.79Å; L271-Y303 HydrophobicContact CG-CD1 4.48Å; L271-Y303 HydrophobicContact CG-CD2 3.61Å; L271-Y303 HydrophobicContact CG-CE2 4.07Å; L271-Y303 HydrophobicContact CG-CG 3.84Å
272G97.6Very high98.4Very high13 Ų1323.1 Ų23.113%0.13413%0.126CC..  trans-72.3152.4177.900000113.6D264 D269D264-G272 WeakPolarHBondContact O-CA 3.43Å; D269-G272 PolarHBondContact OD1-N 2.85Å
273C97.9Very high98.4Very high23 Ų2326.6 Ų26.616%0.15514%0.141CC..  trans-130.531.3177.758.50000113K200 D230 G231K200-C273 WeakPolarHBondContact CD-SG 3.48Å; K200-C273 VanDerWaalsContact CE-SG 3.59Å; D230-C273 PolarHBondContact OD1-SG 3.09Å; G231-C273 PolarHBondContact N-O 3.41Å
274F98.7Very high98.4Very high3 Ų326.7 Ų26.71%0.01314%0.142CC..  trans-90.6172.4165.6-79.95.9000111.1I177 K200 L228 I232 Y237 S265 L276I177-F274 HydrophobicContact CD1-CB 4.07Å; I177-F274 HydrophobicContact CD1-CD1 3.68Å; I177-F274 HydrophobicContact CD1-CD2 4.21Å; I177-F274 HydrophobicContact CD1-CE1 4.14Å; I177-F274 HydrophobicContact CD1-CG 3.71Å; I177-F274 HydrophobicContact CG1-CD1 3.95Å; I177-F274 HydrophobicContact CG1-CD2 3.92Å; I177-F274 HydrophobicContact CG1-CE1 3.98Å; I177-F274 HydrophobicContact CG1-CE2 3.92Å; I177-F274 HydrophobicContact CG1-CG 3.91Å; I177-F274 HydrophobicContact CG1-CZ 3.93Å; K200-F274 HydrophobicContact CB-CE1 3.98Å; K200-F274 HydrophobicContact CB-CZ 4.3Å; L228-F274 HydrophobicContact CB-CE1 4.09Å; L228-F274 HydrophobicContact CB-CZ 3.72Å; L228-F274 HydrophobicContact CD1-CE2 3.91Å; L228-F274 HydrophobicContact CD1-CZ 3.62Å; L228-F274 HydrophobicContact CG-CZ 4.31Å; I232-F274 HydrophobicContact CG2-CB 4.08Å; I232-F274 HydrophobicContact CG2-CD1 3.72Å; I232-F274 HydrophobicContact CG2-CD2 3.52Å; I232-F274 HydrophobicContact CG2-CE1 3.98Å; I232-F274 HydrophobicContact CG2-CE2 3.82Å; I232-F274 HydrophobicContact CG2-CG 3.49Å; I232-F274 VanDerWaalsContact CG2-CG 3.49Å; I232-F274 HydrophobicContact CG2-CZ 4.05Å; Y237-F274 HydrophobicContact CE2-CE2 4.29Å; S265-F274 WeakPolarHBondContact O-CB 3.44Å; F274-L276 HydrophobicContact CD2-CD1 4.49Å
275N98.6Very high98.4Very high9 Ų926.7 Ų26.75%0.04814%0.142CC..  trans-126.527.2-176.1-156.128.7000112.8I232 S267 S348I232-N275 CarbonylContact O-C 3.6Å; I232-N275 WeakPolarHBondContact O-CA 3.36Å; I232-N275 WeakPolarHBondContact O-CB 3.36Å; I232-N275 PolarHBondContact O-N 3.4Å; S267-N275 PolarHBondContact OG-OD1 2.85Å; S267-N275 VanDerWaalsContact OG-OD1 3.13Å; N275-S348 PolarHBondContact ND2-O 3.14Å; N275-S348 WeakPolarHBondContact OD1-CB 3.45Å; N275-S348 PolarHBondContact OD1-N 3.43Å; N275-S348 PolarHBondContact OD1-OG 2.91Å
276L98.8Very high98.4Very high0 Ų032.2 Ų32.20%017%0.168CC..BIsolated β-bridgetrans-72.1141.3-179-57.8-178.8000112I232 D234 Y237 S265 S267 F274I232-L276 HydrophobicContact CG2-CD2 4.34Å; D234-L276 VanDerWaalsContact OD1-CA 3.32Å; D234-L276 WeakPolarHBondContact OD1-CA 3.44Å; Y237-L276 HydrophobicContact CD2-CD1 3.88Å; Y237-L276 HydrophobicContact CD2-CD2 4.03Å; Y237-L276 HydrophobicContact CD2-CG 4.49Å; Y237-L276 HydrophobicContact CE2-CD1 4.02Å; Y237-L276 HydrophobicContact CG-CD1 4.18Å; Y237-L276 HydrophobicContact CG-CD2 3.97Å; S265-L276 WeakPolarHBondContact O-CB 3.43Å; S265-L276 WeakPolarHBondContact O-CG 3.49Å; S267-L276 WeakPolarHBondContact CB-O 3.01Å; S267-L276 PolarHBondContact N-O 2.95Å; F274-L276 HydrophobicContact CD2-CD1 4.49Å
277T98.8Very high98.4Very high12 Ų1234.3 Ų34.37%0.07418%0.176CC..  trans-87166.5166.580.30000110.5D234 K279 G280 H281 P347D234-T277 PolarHBondContact OD1-N 2.93Å; D234-T277 WeakPolarHBondContact OD2-CB 3.44Å; D234-T277 VanDerWaalsContact OD2-CG2 3.31Å; D234-T277 WeakPolarHBondContact OD2-CG2 3.25Å; D234-T277 PolarHBondContact OD2-OG1 3.08Å; T277-K279 PolarHBondContact O-N 3.22Å; T277-K279 PolarHBondContact OG1-N 3.11Å; T277-K279 VanDerWaalsContact OG1-N 3.17Å; T277-G280 PolarHBondContact O-N 3.45Å; T277-G280 PolarHBondContact OG1-N 2.94Å; T277-H281 WeakPolarHBondContact O-CB 3.49Å; T277-H281 PolarHBondContact O-N 3.19Å; T277-P347 HydrophobicContact CG2-CB 4.24Å; T277-P347 HydrophobicContact CG2-CG 4.29Å
278I98.7Very high98.4Very high1 Ų134.2 Ų34.21%0.00518%0.175CC..Hα-helixtrans-57.4-32.4172.3-68.1159.2000111.5L266 A282 R310 C311 F314 L343 I345L266-I278 HydrophobicContact CD1-CG1 4.49Å; L266-I278 HydrophobicContact CD2-CG1 4.43Å; I278-A282 WeakPolarHBondContact O-CB 3.37Å; I278-A282 PolarHBondContact O-N 2.9Å; I278-R310 HydrophobicContact CD1-CB 3.42Å; I278-R310 VanDerWaalsContact CD1-CB 3.42Å; I278-R310 HydrophobicContact CD1-CG 4.39Å; I278-C311 HydrophobicContact CG1-CB 4.17Å; I278-F314 HydrophobicContact CG2-CB 3.65Å; I278-F314 HydrophobicContact CG2-CD1 3.58Å; I278-F314 HydrophobicContact CG2-CG 3.83Å; I278-L343 WeakPolarHBondContact CD1-O 3.22Å; I278-I345 HydrophobicContact CD1-CD1 4.46Å; I278-I345 HydrophobicContact CD1-CG1 4.08Å; I278-I345 HydrophobicContact CD1-CG2 4.01Å; I278-I345 HydrophobicContact CG1-CD1 4.22Å; I278-I345 HydrophobicContact CG1-CG1 4.06Å
279K98.4Very high98.4Very high111 Ų11132.3 Ų32.348%0.48315%0.152SC..Hα-helixtrans-72-45.2177.9-68.1-177177.9-179.80111.3T277 H281 A282 K283 H344T277-K279 PolarHBondContact O-N 3.22Å; T277-K279 PolarHBondContact OG1-N 3.11Å; T277-K279 VanDerWaalsContact OG1-N 3.17Å; K279-H281 VanDerWaalsContact C-N 3.35Å; K279-A282 PolarHBondContact O-N 3.35Å; K279-K283 WeakPolarHBondContact O-CG 3.4Å; K279-K283 PolarHBondContact O-N 3.07Å; K279-H344 VanDerWaalsContact CE-CD2 3.45Å; K279-H344 WeakPolarHBondContact CE-CD2 3.4Å; K279-H344 VanDerWaalsContact CE-CE1 3.43Å; K279-H344 WeakPolarHBondContact CE-CE1 3.32Å; K279-H344 WeakPolarHBondContact CE-NE2 3.35Å
280G98.4Very high98.4Very high6 Ų634.6 Ų34.66%0.06217%0.169CC..Hα-helixtrans-59.8-45.6175.700000112.2D234 T277 K283D234-G280 VanDerWaalsContact CG-CA 3.48Å; D234-G280 WeakPolarHBondContact OD1-CA 3.41Å; D234-G280 PolarHBondContact OD2-N 3Å; T277-G280 PolarHBondContact O-N 3.45Å; T277-G280 PolarHBondContact OG1-N 2.94Å; G280-K283 WeakPolarHBondContact O-CB 3.37Å; G280-K283 PolarHBondContact O-N 3.13Å
281H98.9Very high98.4Very high1 Ų130.4 Ų30.41%0.00516%0.155CC..Hα-helixtrans-60.4-51.2176.4-164.2-89000111.8I175 G262 S265 L266 T277 K279 K283 C284 E315I175-H281 WeakPolarHBondContact CD1-CE1 3.38Å; I175-H281 WeakPolarHBondContact CD1-NE2 3.23Å; G262-H281 PolarHBondContact O-NE2 2.64Å; G262-H281 VanDerWaalsContact O-NE2 3.14Å; S265-H281 PolarHBondContact OG-CD2 3.22Å; S265-H281 PolarHBondContact OG-NE2 3.46Å; L266-H281 HydrophobicContact CD2-CB 3.82Å; T277-H281 WeakPolarHBondContact O-CB 3.49Å; T277-H281 PolarHBondContact O-N 3.19Å; K279-H281 VanDerWaalsContact C-N 3.35Å; H281-K283 VanDerWaalsContact C-N 3.27Å; H281-K283 PolarHBondContact O-N 2.77Å; H281-C284 WeakPolarHBondContact O-CB 3.43Å; H281-C284 PolarHBondContact O-N 2.96Å; H281-C284 PolarHBondContact O-SG 2.86Å; H281-C284 VanDerWaalsContact O-SG 3.42Å; H281-E315 IonicContact CE1-OE1 3.55Å; H281-E315 PolarHBondContact CE1-OE1 3.03Å; H281-E315 VanDerWaalsContact CE1-OE1 3.28Å; H281-E315 IonicContact CG-OE1 3.69Å; H281-E315 IonicContact ND1-OE1 3.63Å; H281-E315 PolarHBondContact ND1-OE1 3.13Å
282A98.7Very high98.4Very high2 Ų232.3 Ų32.32%0.01717%0.166CC..Hα-helixtrans-68.4-19.6-178.200000114.5I278 K279 C284 V285 E286 F314 E315 V318I278-A282 WeakPolarHBondContact O-CB 3.37Å; I278-A282 PolarHBondContact O-N 2.9Å; K279-A282 PolarHBondContact O-N 3.35Å; A282-C284 PolarHBondContact O-N 2.93Å; A282-V285 WeakPolarHBondContact O-CB 3.5Å; A282-V285 PolarHBondContact O-N 3.47Å; A282-V285 VanDerWaalsContact O-N 3.17Å; A282-E286 PolarHBondContact O-N 2.58Å; A282-F314 HydrophobicContact CB-CD1 3.54Å; A282-F314 HydrophobicContact CB-CE1 3.67Å; A282-E315 HydrophobicContact CB-CG 3.85Å; A282-V318 HydrophobicContact CB-CG2 4.21Å
283K98.7Very high98.4Very high72 Ų7233.8 Ų33.831%0.31317%0.17SC..Hα-helixtrans-60.6-27169.3-81.1175.2174.6-179.40112.1E238 K279 G280 H281 Y287E238-K283 IonicContact OE1-NZ 3.39Å; E238-K283 WeakPolarHBondContact OE2-CD 3.16Å; E238-K283 WeakPolarHBondContact OE2-CE 3.46Å; E238-K283 IonicContact OE2-NZ 3.83Å; E238-K283 PolarHBondContact OE2-NZ 2.56Å; K279-K283 WeakPolarHBondContact O-CG 3.4Å; K279-K283 PolarHBondContact O-N 3.07Å; G280-K283 WeakPolarHBondContact O-CB 3.37Å; G280-K283 PolarHBondContact O-N 3.13Å; H281-K283 VanDerWaalsContact C-N 3.27Å; H281-K283 PolarHBondContact O-N 2.77Å; K283-Y287 VanDerWaalsContact O-CB 3.27Å; K283-Y287 WeakPolarHBondContact O-CB 3.44Å; K283-Y287 PolarHBondContact O-N 3.38Å
284C98.8Very high98.4Very high3 Ų334.4 Ų34.42%0.0217%0.174CC..Hα-helixtrans-65.3-49.3173.7-56.70000110.1I175 F241 H281 A282 E286 Y287 I288I175-C284 HydrophobicContact CD1-CB 4.03Å; I175-C284 HydrophobicContact CG2-CB 4.41Å; F241-C284 HydrophobicContact CD1-CB 4.3Å; F241-C284 HydrophobicContact CE1-CB 3.77Å; F241-C284 HydrophobicContact CE2-CB 4.07Å; F241-C284 HydrophobicContact CZ-CB 3.64Å; H281-C284 WeakPolarHBondContact O-CB 3.43Å; H281-C284 PolarHBondContact O-N 2.96Å; H281-C284 PolarHBondContact O-SG 2.86Å; H281-C284 VanDerWaalsContact O-SG 3.42Å; A282-C284 PolarHBondContact O-N 2.93Å; C284-E286 PolarHBondContact O-N 3.39Å; C284-Y287 PolarHBondContact O-N 3.01Å; C284-I288 WeakPolarHBondContact O-CG1 3.45Å; C284-I288 PolarHBondContact O-N 2.8Å
285V98.7Very high98.4Very high1 Ų134.4 Ų34.41%0.00617%0.174CC..Hα-helixtrans-58-49.4175.2178.90000110.9L259 A282 Y287 I288 K289 M297 E315 V318L259-V285 HydrophobicContact CD2-CB 4.35Å; L259-V285 HydrophobicContact CD2-CG2 3.83Å; A282-V285 WeakPolarHBondContact O-CB 3.5Å; A282-V285 PolarHBondContact O-N 3.47Å; A282-V285 VanDerWaalsContact O-N 3.17Å; V285-Y287 VanDerWaalsContact C-N 3.32Å; V285-Y287 PolarHBondContact O-N 3.3Å; V285-I288 PolarHBondContact O-N 2.85Å; V285-K289 WeakPolarHBondContact O-CB 3.42Å; V285-K289 PolarHBondContact O-N 2.98Å; V285-M297 HydrophobicContact CB-CE 4.42Å; V285-M297 HydrophobicContact CG1-CE 3.47Å; V285-M297 VanDerWaalsContact CG1-CE 3.47Å; V285-M297 HydrophobicContact CG1-SD 3.91Å; V285-M297 HydrophobicContact CG2-CE 4.01Å; V285-E315 HydrophobicContact CG2-CB 4.31Å; V285-E315 HydrophobicContact CG2-CG 4Å; V285-E315 WeakPolarHBondContact CG2-OE1 3.25Å; V285-V318 HydrophobicContact CB-CG1 4.4Å; V285-V318 HydrophobicContact CG1-CG1 4.01Å
286E98.4Very high98.5Very high115 Ų11534 Ų3454%0.53717%0.172SC..Hα-helixtrans-57-45.5178.6-175-177.7-155.400111.5A282 C284 K289 S290 V318A282-E286 PolarHBondContact O-N 2.58Å; C284-E286 PolarHBondContact O-N 3.39Å; E286-K289 PolarHBondContact O-N 2.94Å; E286-S290 PolarHBondContact O-N 3.21Å; E286-S290 VanDerWaalsContact O-N 3.14Å; E286-V318 HydrophobicContact CB-CG1 3.92Å
287Y98.8Very high98.5Very high46 Ų4634 Ų3418%0.1817%0.172CC..Hα-helixtrans-65.5-46.6-179.6-171.8-113.3000112.2F241 K242 M245 A246 K283 C284 V285 K289 S290 F291F241-Y287 HydrophobicContact CD1-CD1 4.17Å; F241-Y287 AromaticContact CE1-CD1 3.94Å; F241-Y287 HydrophobicContact CE1-CD1 3.94Å; K242-Y287 HydrophobicContact CB-CD1 4.46Å; K242-Y287 HydrophobicContact CB-CE1 4.13Å; K242-Y287 HydrophobicContact CB-CE2 4.23Å; K242-Y287 HydrophobicContact CD-CD2 3.97Å; K242-Y287 HydrophobicContact CD-CE2 4.15Å; K242-Y287 HydrophobicContact CD-CG 4.41Å; K242-Y287 HydrophobicContact CG-CD1 3.98Å; K242-Y287 HydrophobicContact CG-CD2 3.79Å; K242-Y287 HydrophobicContact CG-CE1 4.12Å; K242-Y287 HydrophobicContact CG-CE2 3.93Å; K242-Y287 HydrophobicContact CG-CG 3.81Å; K242-Y287 PolarHBondContact O-OH 2.9Å; M245-Y287 HydrophobicContact CB-CD1 4.2Å; M245-Y287 HydrophobicContact CB-CE1 3.83Å; A246-Y287 WeakPolarHBondContact CB-OH 3.43Å; K283-Y287 VanDerWaalsContact O-CB 3.27Å; K283-Y287 WeakPolarHBondContact O-CB 3.44Å; K283-Y287 PolarHBondContact O-N 3.38Å; C284-Y287 PolarHBondContact O-N 3.01Å; V285-Y287 VanDerWaalsContact C-N 3.32Å; V285-Y287 PolarHBondContact O-N 3.3Å; Y287-K289 VanDerWaalsContact C-N 3.35Å; Y287-K289 PolarHBondContact O-N 3.12Å; Y287-S290 WeakPolarHBondContact O-CB 3.45Å; Y287-S290 PolarHBondContact O-N 3.29Å; Y287-S290 PolarHBondContact O-OG 3.15Å; Y287-F291 AromaticContact CD1-CE2 3.91Å; Y287-F291 HydrophobicContact CD1-CE2 3.91Å; Y287-F291 AromaticContact CE1-CE2 3.57Å; Y287-F291 HydrophobicContact CE1-CE2 3.57Å; Y287-F291 AromaticContact CE1-CZ 3.79Å; Y287-F291 HydrophobicContact CE1-CZ 3.79Å; Y287-F291 HydrophobicContact CE2-CE2 4.4Å; Y287-F291 HydrophobicContact CE2-CZ 4.46Å; Y287-F291 HydrophobicContact CG-CE2 4.46Å; Y287-F291 AromaticContact CZ-CE2 3.84Å; Y287-F291 AromaticContact CZ-CZ 3.73Å; Y287-F291 VanDerWaalsContact O-CD2 3.28Å; Y287-F291 WeakPolarHBondContact O-CD2 3.47Å; Y287-F291 WeakPolarHBondContact O-CE2 3.25Å
288I98.6Very high98.5Very high5 Ų533.4 Ų33.43%0.02617%0.168CC..Hα-helixtrans-65.7-40.2178.5-64.3-49.8000111.4I173 F241 M245 M249 V257 C284 V285 S290 F291 L295I173-I288 HydrophobicContact CD1-CB 4.5Å; I173-I288 HydrophobicContact CD1-CD1 3.41Å; I173-I288 VanDerWaalsContact CD1-CD1 3.41Å; I173-I288 HydrophobicContact CD1-CG1 3.65Å; I173-I288 HydrophobicContact CD1-CG2 4.01Å; F241-I288 HydrophobicContact CE1-CD1 4.09Å; F241-I288 HydrophobicContact CE1-CG1 4.1Å; F241-I288 HydrophobicContact CZ-CD1 4Å; F241-I288 HydrophobicContact CZ-CG1 3.88Å; M245-I288 HydrophobicContact CB-CD1 4.14Å; M245-I288 HydrophobicContact CE-CD1 4.07Å; M245-I288 HydrophobicContact CG-CD1 4.12Å; M249-I288 HydrophobicContact CE-CD1 4.15Å; V257-I288 HydrophobicContact CG1-CG2 3.8Å; C284-I288 WeakPolarHBondContact O-CG1 3.45Å; C284-I288 PolarHBondContact O-N 2.8Å; V285-I288 PolarHBondContact O-N 2.85Å; I288-S290 PolarHBondContact O-N 3.35Å; I288-F291 PolarHBondContact O-N 3.16Å; I288-L295 HydrophobicContact CG2-CD1 4Å
289K97.8Very high98.5Very high13 Ų1333.3 Ų33.36%0.05717%0.168CC..Hα-helixtrans-57.8-34.1174.8-176.2-173.3176.3-168.40112K9 I131 V285 E286 Y287 F291 N292 V318 A319 D321K9-K289 HydrophobicContact CD-CG 4.37Å; K9-K289 PolarHBondContact NZ-O 2.86Å; I131-K289 HydrophobicContact CD1-CD 4.37Å; I131-K289 HydrophobicContact CD1-CG 4.3Å; V285-K289 WeakPolarHBondContact O-CB 3.42Å; V285-K289 PolarHBondContact O-N 2.98Å; E286-K289 PolarHBondContact O-N 2.94Å; Y287-K289 VanDerWaalsContact C-N 3.35Å; Y287-K289 PolarHBondContact O-N 3.12Å; K289-F291 PolarHBondContact O-N 3Å; K289-F291 VanDerWaalsContact O-N 3.15Å; K289-N292 PolarHBondContact O-N 3.38Å; K289-V318 PolarHBondContact NZ-O 3.13Å; K289-A319 VanDerWaalsContact CE-O 3.32Å; K289-A319 WeakPolarHBondContact CE-O 3.31Å; K289-A319 PolarHBondContact NZ-O 2.78Å; K289-D321 IonicContact NZ-OD1 3.09Å; K289-D321 PolarHBondContact NZ-OD1 3.03Å; K289-D321 IonicContact NZ-OD2 2.77Å; K289-D321 PolarHBondContact NZ-OD2 2.74Å
290S97.8Very high98.5Very high66 Ų6628.4 Ų28.446%0.46215%0.148SC..THydrogen-bonded Turntrans-62.5-20-178.480.50000114.7E286 Y287 I288 N292E286-S290 PolarHBondContact O-N 3.21Å; E286-S290 VanDerWaalsContact O-N 3.14Å; Y287-S290 WeakPolarHBondContact O-CB 3.45Å; Y287-S290 PolarHBondContact O-N 3.29Å; Y287-S290 PolarHBondContact O-OG 3.15Å; I288-S290 PolarHBondContact O-N 3.35Å; S290-N292 VanDerWaalsContact C-N 3.27Å; S290-N292 PolarHBondContact O-N 2.89Å; S290-N292 PolarHBondContact O-ND2 3.2Å
291F97.8Very high98.4Very high65 Ų6528.3 Ų28.329%0.28515%0.148SC..THydrogen-bonded Turntrans-78.2-5.8178.3-67.8-83.2000114.3M249 Y287 I288 K289 L293M249-F291 HydrophobicContact CB-CD1 4.04Å; M249-F291 HydrophobicContact CB-CE1 3.72Å; M249-F291 HydrophobicContact CB-CZ 4.19Å; M249-F291 HydrophobicContact CE-CB 4.31Å; M249-F291 HydrophobicContact CE-CD2 3.85Å; M249-F291 HydrophobicContact CE-CE2 4.33Å; M249-F291 HydrophobicContact CE-CG 4.03Å; M249-F291 HydrophobicContact CG-CD1 3.79Å; M249-F291 HydrophobicContact CG-CD2 4.17Å; M249-F291 HydrophobicContact CG-CE1 3.63Å; M249-F291 HydrophobicContact CG-CE2 4.03Å; M249-F291 HydrophobicContact CG-CG 4.06Å; M249-F291 HydrophobicContact CG-CZ 3.75Å; M249-F291 HydrophobicContact SD-CD1 4.35Å; M249-F291 HydrophobicContact SD-CG 4.23Å; Y287-F291 AromaticContact CD1-CE2 3.91Å; Y287-F291 HydrophobicContact CD1-CE2 3.91Å; Y287-F291 AromaticContact CE1-CE2 3.57Å; Y287-F291 HydrophobicContact CE1-CE2 3.57Å; Y287-F291 AromaticContact CE1-CZ 3.79Å; Y287-F291 HydrophobicContact CE1-CZ 3.79Å; Y287-F291 HydrophobicContact CE2-CE2 4.4Å; Y287-F291 HydrophobicContact CE2-CZ 4.46Å; Y287-F291 HydrophobicContact CG-CE2 4.46Å; Y287-F291 AromaticContact CZ-CE2 3.84Å; Y287-F291 AromaticContact CZ-CZ 3.73Å; Y287-F291 VanDerWaalsContact O-CD2 3.28Å; Y287-F291 WeakPolarHBondContact O-CD2 3.47Å; Y287-F291 WeakPolarHBondContact O-CE2 3.25Å; I288-F291 PolarHBondContact O-N 3.16Å; K289-F291 PolarHBondContact O-N 3Å; K289-F291 VanDerWaalsContact O-N 3.15Å; F291-L293 VanDerWaalsContact C-N 3.33Å; F291-L293 PolarHBondContact O-N 2.93Å
292N97.2Very high98.4Very high112 Ų11228.3 Ų28.360%0.59915%0.148SC*.  trans56.340.9173.1-58.6-44000115.1K9 K289 S290K9-N292 WeakPolarHBondContact CE-OD1 3.28Å; K9-N292 PolarHBondContact NZ-OD1 2.7Å; K9-N292 VanDerWaalsContact NZ-OD1 3.15Å; K289-N292 PolarHBondContact O-N 3.38Å; S290-N292 VanDerWaalsContact C-N 3.27Å; S290-N292 PolarHBondContact O-N 2.89Å; S290-N292 PolarHBondContact O-ND2 3.2Å
293L98Very high98.4Very high44 Ų4428.7 Ų28.723%0.2315%0.149CC..  trans-103.3156.3170.8-64.3177.5000110.9M249 P254 V257 F291 L295M249-L293 HydrophobicContact SD-CD1 4.29Å; P254-L293 HydrophobicContact CB-CD1 4.46Å; P254-L293 HydrophobicContact CG-CD1 3.86Å; P254-L293 VanDerWaalsContact O-CD1 3.32Å; P254-L293 WeakPolarHBondContact O-CD1 3.37Å; V257-L293 HydrophobicContact CG2-CB 4.14Å; V257-L293 HydrophobicContact CG2-CD1 3.88Å; F291-L293 VanDerWaalsContact C-N 3.33Å; F291-L293 PolarHBondContact O-N 2.93Å; L293-L295 PolarHBondContact O-N 3.45Å
294P98.8Very high98.4Very high36 Ų3626.2 Ų26.223%0.23414%0.14CC..  trans-50.4123.8165.7-25.534.3000110.2L124 D130 S255 A256 V257L124-P294 HydrophobicContact CB-CB 4.43Å; L124-P294 HydrophobicContact CD2-CB 3.95Å; D130-P294 WeakPolarHBondContact O-CA 3.37Å; S255-P294 WeakPolarHBondContact O-CD 3.35Å; A256-P294 HydrophobicContact CB-CB 4.35Å; V257-P294 PolarHBondContact N-O 2.77Å
295L98.9Very high98.4Very high2 Ų227.4 Ų27.41%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-125.7119.8-171.1177.162.8000111.1D130 I131 A132 V257 L259 I288 L293 M297D130-L295 PolarHBondContact O-N 3.39Å; I131-L295 CarbonylContact C-O 3.52Å; I131-L295 VanDerWaalsContact CA-O 3.26Å; I131-L295 WeakPolarHBondContact CA-O 3.37Å; I131-L295 HydrophobicContact CG1-CB 4.35Å; A132-L295 PolarHBondContact N-O 3.15Å; V257-L295 HydrophobicContact CB-CD1 3.9Å; V257-L295 HydrophobicContact CG1-CD1 3.84Å; V257-L295 WeakPolarHBondContact O-CA 3.43Å; L259-L295 HydrophobicContact CB-CD1 3.96Å; I288-L295 HydrophobicContact CG2-CD1 4Å; L293-L295 PolarHBondContact O-N 3.45Å; L295-M297 HydrophobicContact CD1-CG 4.45Å; L295-M297 HydrophobicContact CD2-CG 3.94Å; L295-M297 HydrophobicContact CD2-SD 4.1Å; L295-M297 HydrophobicContact CG-CG 3.91Å
296L98.9Very high98.3Very high0 Ų032.3 Ų32.30%016%0.164CC..EExtended strand (participates in β ladder)trans-97.6117.1166.6-178.962.6000108.8L124 A132 A159 V257 V258 L259 L298L124-L296 HydrophobicContact CD1-CB 3.79Å; A132-L296 HydrophobicContact CB-CD1 3.8Å; A132-L296 CarbonylContact O-C 3.57Å; A132-L296 WeakPolarHBondContact O-CA 3.11Å; A159-L296 HydrophobicContact CB-CD2 3.69Å; V257-L296 PolarHBondContact O-N 2.87Å; V258-L296 CarbonylContact C-O 3.55Å; V258-L296 WeakPolarHBondContact CA-O 3.4Å; V258-L296 HydrophobicContact CG1-CB 4.42Å; V258-L296 HydrophobicContact CG1-CD2 4.18Å; V258-L296 HydrophobicContact CG1-CG 4.43Å; V258-L296 HydrophobicContact CG2-CB 4.19Å; V258-L296 HydrophobicContact CG2-CD2 4.22Å; L259-L296 PolarHBondContact N-O 3.4Å; L296-L298 HydrophobicContact CD1-CD2 3.99Å; L296-L298 HydrophobicContact CD2-CD1 4.33Å; L296-L298 HydrophobicContact CD2-CD2 4.12Å; L296-L298 HydrophobicContact CD2-CG 4.35Å; L296-L298 HydrophobicContact CG-CD2 3.84Å; L296-L298 HydrophobicContact CG-CG 4.07Å
297M98.9Very high98.3Very high0 Ų027.5 Ų27.50%014%0.142CC..EExtended strand (participates in β ladder)trans-100.6126.3173.9-63.1173.457.100109.5I131 A132 I133 N134 W135 L259 V285 L295 E315 A319I131-M297 HydrophobicContact CG2-CG 4.3Å; I131-M297 HydrophobicContact CG2-SD 3.92Å; A132-M297 PolarHBondContact O-N 3Å; I133-M297 WeakPolarHBondContact CA-O 3.34Å; I133-M297 HydrophobicContact CD1-SD 4.43Å; I133-M297 HydrophobicContact CG1-CB 4.23Å; I133-M297 HydrophobicContact CG1-SD 4.33Å; N134-M297 PolarHBondContact N-O 3.04Å; W135-M297 HydrophobicContact CH2-CB 4.42Å; W135-M297 HydrophobicContact CH2-CE 3.66Å; W135-M297 HydrophobicContact CZ2-CE 4.21Å; L259-M297 WeakPolarHBondContact O-CA 3.4Å; V285-M297 HydrophobicContact CB-CE 4.42Å; V285-M297 HydrophobicContact CG1-CE 3.47Å; V285-M297 VanDerWaalsContact CG1-CE 3.47Å; V285-M297 HydrophobicContact CG1-SD 3.91Å; V285-M297 HydrophobicContact CG2-CE 4.01Å; L295-M297 HydrophobicContact CD1-CG 4.45Å; L295-M297 HydrophobicContact CD2-CG 3.94Å; L295-M297 HydrophobicContact CD2-SD 4.1Å; L295-M297 HydrophobicContact CG-CG 3.91Å; M297-E315 HydrophobicContact CE-CB 4.19Å; M297-A319 HydrophobicContact SD-CB 3.94Å
298L99Very high98.4Very high0 Ų025.4 Ų25.40%013%0.134CC..EExtended strand (participates in β ladder)trans-119.2161.5-178.9-59.6-179.4000110.7S117 N134 W135 I156 V258 L259 C261 L296S117-L298 WeakPolarHBondContact OG-CD2 3.44Å; N134-L298 HydrophobicContact CB-CD2 3.92Å; N134-L298 WeakPolarHBondContact O-CA 3.33Å; W135-L298 WeakPolarHBondContact CZ3-O 3.27Å; I156-L298 HydrophobicContact CB-CD1 4.27Å; I156-L298 HydrophobicContact CD1-CD1 4.45Å; I156-L298 HydrophobicContact CG1-CD1 3.78Å; I156-L298 HydrophobicContact CG2-CD1 4.18Å; V258-L298 HydrophobicContact CG1-CD1 3.85Å; V258-L298 HydrophobicContact CG1-CG 4.39Å; L259-L298 PolarHBondContact O-N 3.44Å; C261-L298 VanDerWaalsContact CB-O 3.29Å; C261-L298 WeakPolarHBondContact CB-O 3.42Å; C261-L298 PolarHBondContact N-O 2.89Å; L296-L298 HydrophobicContact CD1-CD2 3.99Å; L296-L298 HydrophobicContact CD2-CD1 4.33Å; L296-L298 HydrophobicContact CD2-CD2 4.12Å; L296-L298 HydrophobicContact CD2-CG 4.35Å; L296-L298 HydrophobicContact CG-CD2 3.84Å; L296-L298 HydrophobicContact CG-CG 4.07Å
299G98.8Very high98.4Very high0 Ų025.1 Ų25.10%013%0.132CC..  trans-71.4-132.5171.100000112.2N134 G137 Q260 C261 W312N134-G299 PolarHBondContact O-N 3.47Å; G137-G299 CarbonylContact O-C 3.56Å; G137-G299 WeakPolarHBondContact O-CA 3.45Å; G137-G299 PolarHBondContact O-N 3.44Å; Q260-G299 WeakPolarHBondContact CG-O 3.49Å; C261-G299 CarbonylContact C-O 3.58Å; C261-G299 PolarHBondContact N-O 3.33Å; C261-G299 VanDerWaalsContact N-O 3.1Å; G299-W312 VanDerWaalsContact CA-CZ2 3.5Å
300G98.6Very high98.4Very high7 Ų724.8 Ų24.87%0.07213%0.131CC..  trans145-154.3-173.400000112.5R34 G137R34-G300 VanDerWaalsContact CZ-O 3.24Å; R34-G300 PolarHBondContact NH1-O 3.43Å; R34-G300 PolarHBondContact NH2-O 2.95Å; G137-G300 PolarHBondContact O-N 3.49Å
301G97.6Very high98.5Very high5 Ų521.7 Ų21.75%0.05211%0.109CC..  trans-60.4178.5171.600000114.1R34 D176 A263 D264R34-G301 PolarHBondContact NH1-O 3.04Å; R34-G301 VanDerWaalsContact NH1-O 3.09Å; D176-G301 WeakPolarHBondContact OD2-CA 3.43Å; D176-G301 PolarHBondContact OD2-N 2.74Å; A263-G301 PolarHBondContact N-O 3.39Å; D264-G301 WeakPolarHBondContact OD2-CA 3.46Å
302G98.3Very high98.5Very high0 Ų018.6 Ų18.60%010%0.095CC..  trans132.8111.5-18000000112.4
303Y98.4Very high98.6Very high11 Ų1113.2 Ų13.24%0.0437%0.067CC..SBendtrans-122.4-13.8-164.3-51.2-73.9000112.9P29 M30 F150 D264 D269 R270 L271 I305P29-Y303 HydrophobicContact CB-CD1 3.86Å; P29-Y303 HydrophobicContact CB-CE1 4.49Å; P29-Y303 HydrophobicContact CB-CG 4.41Å; M30-Y303 HydrophobicContact CE-CE1 4.17Å; F150-Y303 AromaticContact CD2-CE1 3.91Å; F150-Y303 HydrophobicContact CD2-CE1 3.91Å; F150-Y303 WeakPolarHBondContact CD2-OH 3.15Å; F150-Y303 AromaticContact CE2-CE1 3.7Å; F150-Y303 HydrophobicContact CE2-CE1 3.7Å; F150-Y303 AromaticContact CE2-CZ 3.82Å; F150-Y303 WeakPolarHBondContact CE2-OH 3.17Å; D264-Y303 HydrophobicContact CB-CD2 3.84Å; D264-Y303 HydrophobicContact CB-CE2 3.73Å; D264-Y303 VanDerWaalsContact OD2-CE2 3.28Å; D264-Y303 WeakPolarHBondContact OD2-CE2 3.37Å; D269-Y303 WeakPolarHBondContact OD1-CD2 3.08Å; D269-Y303 WeakPolarHBondContact OD2-CA 3.46Å; D269-Y303 PolarHBondContact OD2-N 3.38Å; R270-Y303 VanDerWaalsContact CD-O 3.23Å; R270-Y303 WeakPolarHBondContact CD-O 3.49Å; L271-Y303 HydrophobicContact CB-CD2 3.69Å; L271-Y303 HydrophobicContact CB-CE2 4.03Å; L271-Y303 HydrophobicContact CB-CG 4.4Å; L271-Y303 HydrophobicContact CD1-CD1 3.99Å; L271-Y303 HydrophobicContact CD1-CD2 3.59Å; L271-Y303 HydrophobicContact CD1-CE1 3.96Å; L271-Y303 HydrophobicContact CD1-CE2 3.58Å; L271-Y303 HydrophobicContact CD1-CG 3.79Å; L271-Y303 HydrophobicContact CG-CD1 4.48Å; L271-Y303 HydrophobicContact CG-CD2 3.61Å; L271-Y303 HydrophobicContact CG-CE2 4.07Å; L271-Y303 HydrophobicContact CG-CG 3.84Å; Y303-I305 PolarHBondContact O-N 2.85Å
304T98.5Very high98.6Very high19 Ų1913 Ų1312%0.1176%0.064CC..SBendtrans-87.282.1158.4-64.60000109.7G268 D269 R270 R306 N307 V308G268-T304 PolarHBondContact O-OG1 3.09Å; D269-T304 WeakPolarHBondContact CA-OG1 3.24Å; D269-T304 PolarHBondContact OD2-N 3.07Å; R270-T304 PolarHBondContact N-OG1 3.18Å; T304-R306 HydrophobicContact CG2-CG 3.88Å; T304-R306 PolarHBondContact O-N 3.44Å; T304-N307 HydrophobicContact CG2-CB 4.14Å; T304-N307 WeakPolarHBondContact O-CA 3.31Å; T304-N307 WeakPolarHBondContact O-CB 3.42Å; T304-N307 PolarHBondContact O-N 3.23Å; T304-V308 PolarHBondContact O-N 3.17Å
305I98.2Very high98.7Very high28 Ų2811.2 Ų11.214%0.1445%0.053CC..Hα-helixtrans-53.5-32.3-16766178.6000115.5K31 R34 M37 Y303 N307 V308 A309 Y336K31-I305 HydrophobicContact CB-CG2 4.03Å; K31-I305 HydrophobicContact CD-CD1 4.49Å; K31-I305 HydrophobicContact CD-CG2 4.22Å; R34-I305 HydrophobicContact CB-CB 3.93Å; R34-I305 HydrophobicContact CB-CG2 3.94Å; M37-I305 HydrophobicContact SD-CB 4.29Å; M37-I305 HydrophobicContact SD-CD1 3.77Å; M37-I305 HydrophobicContact SD-CG1 3.98Å; Y303-I305 PolarHBondContact O-N 2.85Å; I305-N307 VanDerWaalsContact C-N 3.32Å; I305-N307 PolarHBondContact O-N 3.18Å; I305-V308 PolarHBondContact O-N 3.28Å; I305-A309 PolarHBondContact O-N 3.03Å; I305-Y336 HydrophobicContact CD1-CD1 4.3Å; I305-Y336 HydrophobicContact CD1-CE1 4.16Å
306R98.2Very high98.7Very high105 Ų10511.1 Ų11.140%0.3965%0.052SC..Hα-helixtrans-64-36.417562.3-178.8-178.6176.3-0.3112.2T304 R310 F337 G338T304-R306 HydrophobicContact CG2-CG 3.88Å; T304-R306 PolarHBondContact O-N 3.44Å; R306-R310 WeakPolarHBondContact O-CD 3.25Å; R306-R310 WeakPolarHBondContact O-CG 3.43Å; R306-R310 PolarHBondContact O-N 3.03Å; R306-F337 HydrophobicContact CB-CD1 4.11Å; R306-F337 HydrophobicContact CB-CE1 4.17Å; R306-F337 WeakPolarHBondContact O-CE1 3.48Å; R306-G338 PolarHBondContact NH1-O 2.9Å
307N98.6Very high98.6Very high14 Ų1411.2 Ų11.28%0.0755%0.052CC..Hα-helixtrans-78.3-33.8178.2-68.5-3.5000111.1L266 S267 T304 I305 R310 C311L266-N307 HydrophobicContact CD1-CB 4.33Å; S267-N307 PolarHBondContact O-ND2 3.15Å; T304-N307 HydrophobicContact CG2-CB 4.14Å; T304-N307 WeakPolarHBondContact O-CA 3.31Å; T304-N307 WeakPolarHBondContact O-CB 3.42Å; T304-N307 PolarHBondContact O-N 3.23Å; I305-N307 VanDerWaalsContact C-N 3.32Å; I305-N307 PolarHBondContact O-N 3.18Å; N307-R310 PolarHBondContact O-N 2.86Å; N307-R310 PolarHBondContact OD1-NH1 2.63Å; N307-R310 VanDerWaalsContact OD1-NH1 3.12Å; N307-C311 VanDerWaalsContact O-CB 3.25Å; N307-C311 WeakPolarHBondContact O-CB 3.28Å; N307-C311 PolarHBondContact O-N 2.88Å
308V98.8Very high98.6Very high1 Ų112.4 Ų12.41%0.0066%0.06CC..Hα-helixtrans-58.7-49.6170.8-178.80000110.7R34 A263 T304 I305 R310 C311 W312R34-V308 HydrophobicContact CB-CB 4.42Å; R34-V308 HydrophobicContact CB-CG1 4.24Å; R34-V308 HydrophobicContact CG-CG1 4.09Å; A263-V308 HydrophobicContact CB-CB 4.36Å; A263-V308 HydrophobicContact CB-CG1 4.22Å; A263-V308 HydrophobicContact CB-CG2 3.99Å; T304-V308 PolarHBondContact O-N 3.17Å; I305-V308 PolarHBondContact O-N 3.28Å; V308-R310 VanDerWaalsContact C-N 3.31Å; V308-R310 PolarHBondContact O-N 3.07Å; V308-C311 PolarHBondContact O-N 3.46Å; V308-W312 HydrophobicContact CG1-CD2 3.64Å; V308-W312 HydrophobicContact CG1-CE3 3.5Å; V308-W312 HydrophobicContact CG1-CG 4.48Å; V308-W312 HydrophobicContact CG1-CH2 3.76Å; V308-W312 HydrophobicContact CG1-CZ2 3.81Å; V308-W312 HydrophobicContact CG1-CZ3 3.56Å; V308-W312 PolarHBondContact O-N 3.09Å
309A98.8Very high98.6Very high0 Ų012.5 Ų12.50%06%0.06CC..Hα-helixtrans-58.5-43.9178.600000111.9M37 T38 L41 I305 T313 F337M37-A309 HydrophobicContact CB-CB 3.8Å; T38-A309 WeakPolarHBondContact OG1-CA 3.48Å; L41-A309 HydrophobicContact CD1-CB 3.96Å; I305-A309 PolarHBondContact O-N 3.03Å; A309-T313 WeakPolarHBondContact O-CB 3.42Å; A309-T313 PolarHBondContact O-N 3.04Å; A309-T313 PolarHBondContact O-OG1 2.83Å; A309-F337 HydrophobicContact CB-CE1 4.11Å; A309-F337 HydrophobicContact CB-CZ 4.05Å
310R98.8Very high98.5Very high6 Ų613.3 Ų13.32%0.0237%0.065CC..Hα-helixtrans-63.1-44.9175.1-69.7162.4161.4155.5-5.5112.7I278 R306 N307 V308 F314 F337 D340 K342 L343I278-R310 HydrophobicContact CD1-CB 3.42Å; I278-R310 VanDerWaalsContact CD1-CB 3.42Å; I278-R310 HydrophobicContact CD1-CG 4.39Å; R306-R310 WeakPolarHBondContact O-CD 3.25Å; R306-R310 WeakPolarHBondContact O-CG 3.43Å; R306-R310 PolarHBondContact O-N 3.03Å; N307-R310 PolarHBondContact O-N 2.86Å; N307-R310 PolarHBondContact OD1-NH1 2.63Å; N307-R310 VanDerWaalsContact OD1-NH1 3.12Å; V308-R310 VanDerWaalsContact C-N 3.31Å; V308-R310 PolarHBondContact O-N 3.07Å; R310-F314 WeakPolarHBondContact O-CB 3.15Å; R310-F314 PolarHBondContact O-N 3.36Å; R310-F337 HydrophobicContact CG-CD1 4.11Å; R310-F337 HydrophobicContact CG-CE1 4.03Å; R310-F337 PolarHBondContact NH2-O 3.06Å; R310-D340 IonicContact NH2-OD1 3.58Å; R310-D340 PolarHBondContact NH2-OD1 3.32Å; R310-D340 IonicContact NH2-OD2 2.68Å; R310-K342 VanDerWaalsContact CZ-O 3.24Å; R310-K342 PolarHBondContact NE-O 2.85Å; R310-K342 PolarHBondContact NH2-O 2.71Å; R310-L343 HydrophobicContact CB-CD1 3.99Å; R310-L343 WeakPolarHBondContact CB-O 3.12Å; R310-L343 VanDerWaalsContact CD-O 3.26Å; R310-L343 WeakPolarHBondContact CD-O 3.44Å; R310-L343 HydrophobicContact CG-CD1 4.22Å; R310-L343 WeakPolarHBondContact CG-O 3.15Å
311C98.9Very high98.4Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-62.8-59.4-176.5-177.30000111.7A263 L266 I278 N307 V308 T313 F314 E315A263-C311 HydrophobicContact CB-CB 4.48Å; L266-C311 HydrophobicContact CD1-CB 3.64Å; I278-C311 HydrophobicContact CG1-CB 4.17Å; N307-C311 VanDerWaalsContact O-CB 3.25Å; N307-C311 WeakPolarHBondContact O-CB 3.28Å; N307-C311 PolarHBondContact O-N 2.88Å; V308-C311 PolarHBondContact O-N 3.46Å; C311-T313 VanDerWaalsContact C-N 3.26Å; C311-T313 PolarHBondContact O-N 3.18Å; C311-F314 PolarHBondContact O-N 3.09Å; C311-E315 WeakPolarHBondContact O-CG 3.47Å; C311-E315 PolarHBondContact O-N 3.18Å
312W98.9Very high98.3Very high0 Ų018.8 Ų18.80%09%0.093CC..Hα-helixtrans-65.9-29.4-178.4-64.5-19.4000112.8R34 I35 T38 W135 C261 G299 V308 T316R34-W312 HydrophobicContact CG-CZ3 4.27Å; R34-W312 VanDerWaalsContact NH1-CZ2 3.35Å; I35-W312 HydrophobicContact CG1-CZ3 4.07Å; T38-W312 HydrophobicContact CG2-CB 3.62Å; T38-W312 HydrophobicContact CG2-CE3 4.5Å; W135-W312 HydrophobicContact CB-CD2 4.31Å; W135-W312 HydrophobicContact CB-CE3 3.76Å; W135-W312 HydrophobicContact CB-CZ3 3.95Å; W135-W312 HydrophobicContact CD2-CB 3.85Å; W135-W312 HydrophobicContact CD2-CD2 4.09Å; W135-W312 HydrophobicContact CD2-CE3 4.4Å; W135-W312 AromaticContact CD2-CG 3.86Å; W135-W312 HydrophobicContact CD2-CG 3.86Å; W135-W312 HydrophobicContact CE3-CB 4.27Å; W135-W312 AromaticContact CE3-CD1 3.89Å; W135-W312 HydrophobicContact CE3-CD2 4.01Å; W135-W312 AromaticContact CE3-CG 3.84Å; W135-W312 HydrophobicContact CE3-CG 3.84Å; W135-W312 HydrophobicContact CG-CB 4.19Å; W135-W312 HydrophobicContact CG-CD2 4.23Å; W135-W312 HydrophobicContact CG-CE3 4.05Å; W135-W312 HydrophobicContact CG-CG 4.33Å; W135-W312 HydrophobicContact CH2-CB 4.4Å; W135-W312 HydrophobicContact CH2-CG 4.41Å; W135-W312 HydrophobicContact CZ2-CB 4.02Å; W135-W312 HydrophobicContact CZ2-CG 4.46Å; W135-W312 WeakPolarHBondContact CZ2-O 3.29Å; W135-W312 AromaticContact CZ3-CD1 3.8Å; W135-W312 HydrophobicContact CZ3-CG 4.13Å; W135-W312 WeakPolarHBondContact O-CH2 3.48Å; W135-W312 WeakPolarHBondContact O-CZ3 3.4Å; C261-W312 PolarHBondContact O-NE1 2.95Å; G299-W312 VanDerWaalsContact CA-CZ2 3.5Å; V308-W312 HydrophobicContact CG1-CD2 3.64Å; V308-W312 HydrophobicContact CG1-CE3 3.5Å; V308-W312 HydrophobicContact CG1-CG 4.48Å; V308-W312 HydrophobicContact CG1-CH2 3.76Å; V308-W312 HydrophobicContact CG1-CZ2 3.81Å; V308-W312 HydrophobicContact CG1-CZ3 3.56Å; V308-W312 PolarHBondContact O-N 3.09Å; W312-T316 WeakPolarHBondContact O-CB 3.46Å; W312-T316 PolarHBondContact O-N 3.42Å; W312-T316 PolarHBondContact O-OG1 3.2Å
313T98.9Very high98.2Very high0 Ų024.7 Ų24.70%013%0.134CC..Hα-helixtrans-61.9-48.1170.1-640000111.1L41 L42 Y45 A309 C311 T316 A317 I324 L343L41-T313 HydrophobicContact CB-CG2 4.08Å; L41-T313 WeakPolarHBondContact CB-OG1 3.41Å; L42-T313 HydrophobicContact CD2-CG2 4.12Å; Y45-T313 HydrophobicContact CD2-CG2 3.6Å; Y45-T313 HydrophobicContact CE2-CG2 3.85Å; A309-T313 WeakPolarHBondContact O-CB 3.42Å; A309-T313 PolarHBondContact O-N 3.04Å; A309-T313 PolarHBondContact O-OG1 2.83Å; C311-T313 VanDerWaalsContact C-N 3.26Å; C311-T313 PolarHBondContact O-N 3.18Å; T313-T316 PolarHBondContact O-N 3.17Å; T313-A317 PolarHBondContact O-N 3.17Å; T313-A317 VanDerWaalsContact O-N 3.16Å; T313-I324 HydrophobicContact CG2-CD1 4.27Å; T313-L343 HydrophobicContact CG2-CD1 4.41Å
314F98.9Very high98.1Very high38 Ų3825 Ų2517%0.16714%0.136CC..Hα-helixtrans-67.6-40.2179.5-172.1-111.6000112.2I278 A282 R310 C311 T316 A317 V318 I324 L343 H344I278-F314 HydrophobicContact CG2-CB 3.65Å; I278-F314 HydrophobicContact CG2-CD1 3.58Å; I278-F314 HydrophobicContact CG2-CG 3.83Å; A282-F314 HydrophobicContact CB-CD1 3.54Å; A282-F314 HydrophobicContact CB-CE1 3.67Å; R310-F314 WeakPolarHBondContact O-CB 3.15Å; R310-F314 PolarHBondContact O-N 3.36Å; C311-F314 PolarHBondContact O-N 3.09Å; F314-T316 VanDerWaalsContact C-N 3.33Å; F314-T316 PolarHBondContact O-N 2.94Å; F314-A317 WeakPolarHBondContact O-CA 3.42Å; F314-A317 VanDerWaalsContact O-CB 3.3Å; F314-A317 WeakPolarHBondContact O-CB 3.39Å; F314-A317 PolarHBondContact O-N 3.16Å; F314-A317 VanDerWaalsContact O-N 3.07Å; F314-V318 HydrophobicContact CD1-CG2 4.38Å; F314-V318 HydrophobicContact CE1-CG2 4.13Å; F314-V318 HydrophobicContact CZ-CG2 4.46Å; F314-V318 WeakPolarHBondContact O-CG2 3.41Å; F314-V318 PolarHBondContact O-N 3.07Å; F314-I324 HydrophobicContact CD2-CD1 4.16Å; F314-I324 HydrophobicContact CD2-CG1 4.2Å; F314-L343 HydrophobicContact CB-CD2 4.24Å; F314-L343 HydrophobicContact CD2-CD2 3.76Å; F314-L343 HydrophobicContact CG-CD2 4.37Å; F314-H344 AromaticContact CD2-CE1 3.82Å; F314-H344 AromaticContact CE2-CE1 3.54Å; F314-H344 AromaticContact CZ-CE1 3.71Å
315E98.9Very high98.1Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-66.9-33.2177.2-69.5-177.2144.100113W135 H281 A282 V285 M297 C311 A317 V318 A319W135-E315 HydrophobicContact CH2-CB 4.08Å; W135-E315 HydrophobicContact CZ2-CB 4.27Å; H281-E315 IonicContact CE1-OE1 3.55Å; H281-E315 PolarHBondContact CE1-OE1 3.03Å; H281-E315 VanDerWaalsContact CE1-OE1 3.28Å; H281-E315 IonicContact CG-OE1 3.69Å; H281-E315 IonicContact ND1-OE1 3.63Å; H281-E315 PolarHBondContact ND1-OE1 3.13Å; A282-E315 HydrophobicContact CB-CG 3.85Å; V285-E315 HydrophobicContact CG2-CB 4.31Å; V285-E315 HydrophobicContact CG2-CG 4Å; V285-E315 WeakPolarHBondContact CG2-OE1 3.25Å; M297-E315 HydrophobicContact CE-CB 4.19Å; C311-E315 WeakPolarHBondContact O-CG 3.47Å; C311-E315 PolarHBondContact O-N 3.18Å; E315-A317 VanDerWaalsContact C-N 3.31Å; E315-V318 WeakPolarHBondContact O-CB 2.92Å; E315-V318 PolarHBondContact O-N 3.47Å; E315-A319 PolarHBondContact O-N 3.37Å
316T98.9Very high98.1Very high0 Ų029.6 Ų29.60%017%0.165CC..Hα-helixtrans-63.2-40.6169.8-54.10000110.6L42 M51 I133 W135 W312 T313 F314 V318 A319 L320L42-T316 HydrophobicContact CD1-CG2 4.38Å; L42-T316 HydrophobicContact CD2-CG2 3.66Å; M51-T316 HydrophobicContact CE-CG2 4.39Å; M51-T316 HydrophobicContact SD-CG2 3.87Å; I133-T316 HydrophobicContact CD1-CG2 4.09Å; W135-T316 WeakPolarHBondContact CZ2-OG1 3.45Å; W135-T316 PolarHBondContact NE1-OG1 2.94Å; W135-T316 VanDerWaalsContact NE1-OG1 3.09Å; W312-T316 WeakPolarHBondContact O-CB 3.46Å; W312-T316 PolarHBondContact O-N 3.42Å; W312-T316 PolarHBondContact O-OG1 3.2Å; T313-T316 PolarHBondContact O-N 3.17Å; F314-T316 VanDerWaalsContact C-N 3.33Å; F314-T316 PolarHBondContact O-N 2.94Å; T316-V318 VanDerWaalsContact C-N 3.33Å; T316-V318 PolarHBondContact O-N 3.14Å; T316-A319 WeakPolarHBondContact O-CB 3.37Å; T316-A319 PolarHBondContact O-N 3.36Å; T316-L320 HydrophobicContact CG2-CD1 4.06Å; T316-L320 VanDerWaalsContact O-CG 3.32Å; T316-L320 WeakPolarHBondContact O-CG 3.42Å; T316-L320 PolarHBondContact O-N 3.32Å
317A98.6Very high98.1Very high1 Ų129.6 Ų29.61%0.00817%0.169CC..Hα-helixtrans-64-37.5174.800000112.2L47 T313 F314 E315 L320 D321 S322 I324L47-A317 HydrophobicContact CD1-CB 3.99Å; L47-A317 HydrophobicContact CD2-CB 4.28Å; T313-A317 PolarHBondContact O-N 3.17Å; T313-A317 VanDerWaalsContact O-N 3.16Å; F314-A317 WeakPolarHBondContact O-CA 3.42Å; F314-A317 VanDerWaalsContact O-CB 3.3Å; F314-A317 WeakPolarHBondContact O-CB 3.39Å; F314-A317 PolarHBondContact O-N 3.16Å; F314-A317 VanDerWaalsContact O-N 3.07Å; E315-A317 VanDerWaalsContact C-N 3.31Å; A317-L320 CarbonylContact O-C 3.48Å; A317-L320 PolarHBondContact O-N 3.45Å; A317-D321 PolarHBondContact O-N 2.85Å; A317-D321 VanDerWaalsContact O-N 3.15Å; A317-S322 WeakPolarHBondContact CB-O 3.38Å; A317-S322 PolarHBondContact O-N 3.31Å; A317-I324 HydrophobicContact CB-CD1 3.75Å; A317-I324 HydrophobicContact CB-CG1 3.94Å; A317-I324 HydrophobicContact CB-CG2 4.12Å
318V98.5Very high98Very high26 Ų2629.5 Ų29.516%0.15817%0.169CC..Hα-helixtrans-63.3-44.1172174.30000111.1A282 V285 E286 K289 F314 E315 T316 L320 D321A282-V318 HydrophobicContact CB-CG2 4.21Å; V285-V318 HydrophobicContact CB-CG1 4.4Å; V285-V318 HydrophobicContact CG1-CG1 4.01Å; E286-V318 HydrophobicContact CB-CG1 3.92Å; K289-V318 PolarHBondContact NZ-O 3.13Å; F314-V318 HydrophobicContact CD1-CG2 4.38Å; F314-V318 HydrophobicContact CE1-CG2 4.13Å; F314-V318 HydrophobicContact CZ-CG2 4.46Å; F314-V318 WeakPolarHBondContact O-CG2 3.41Å; F314-V318 PolarHBondContact O-N 3.07Å; E315-V318 WeakPolarHBondContact O-CB 2.92Å; E315-V318 PolarHBondContact O-N 3.47Å; T316-V318 VanDerWaalsContact C-N 3.33Å; T316-V318 PolarHBondContact O-N 3.14Å; V318-L320 PolarHBondContact O-N 2.92Å; V318-D321 PolarHBondContact O-N 3.01Å; V318-D321 VanDerWaalsContact O-N 3.17Å
319A98.3Very high98Very high1 Ų130.9 Ų30.91%0.00818%0.178CC..Hα-helixtrans-57.4-36.8175.100000111.9I131 I133 K289 M297 E315 T316I131-A319 HydrophobicContact CD1-CB 4.18Å; I131-A319 HydrophobicContact CG2-CB 4.46Å; I133-A319 HydrophobicContact CD1-CB 3.91Å; K289-A319 VanDerWaalsContact CE-O 3.32Å; K289-A319 WeakPolarHBondContact CE-O 3.31Å; K289-A319 PolarHBondContact NZ-O 2.78Å; M297-A319 HydrophobicContact SD-CB 3.94Å; E315-A319 PolarHBondContact O-N 3.37Å; T316-A319 WeakPolarHBondContact O-CB 3.37Å; T316-A319 PolarHBondContact O-N 3.36Å
320L97.8Very high97.9Very high17 Ų1738.6 Ų38.69%0.08921%0.208CC..THydrogen-bonded Turntrans-86.32.3-179.6-66.9168.7000115.6V11 L47 K50 M51 T316 A317 V318 S322V11-L320 HydrophobicContact CB-CD2 3.76Å; V11-L320 HydrophobicContact CG1-CD2 4.29Å; V11-L320 HydrophobicContact CG2-CD2 3.58Å; V11-L320 HydrophobicContact CG2-CG 4.32Å; L47-L320 HydrophobicContact CB-CD1 4.11Å; L47-L320 HydrophobicContact CD2-CD1 4.08Å; K50-L320 HydrophobicContact CB-CD1 4.27Å; K50-L320 HydrophobicContact CB-CD2 4.12Å; K50-L320 VanDerWaalsContact O-CD2 3.29Å; K50-L320 WeakPolarHBondContact O-CD2 3.44Å; M51-L320 HydrophobicContact CB-CD2 4.07Å; M51-L320 HydrophobicContact SD-CD1 4.3Å; T316-L320 HydrophobicContact CG2-CD1 4.06Å; T316-L320 VanDerWaalsContact O-CG 3.32Å; T316-L320 WeakPolarHBondContact O-CG 3.42Å; T316-L320 PolarHBondContact O-N 3.32Å; A317-L320 CarbonylContact O-C 3.48Å; A317-L320 PolarHBondContact O-N 3.45Å; V318-L320 PolarHBondContact O-N 2.92Å; L320-S322 PolarHBondContact O-N 3.01Å; L320-S322 VanDerWaalsContact O-N 3.09Å; L320-S322 PolarHBondContact O-OG 3.44Å
321D96.7Very high97.8Very high107 Ų10738.4 Ų38.457%0.57221%0.207SC*.THydrogen-bonded Turntrans48.635.6-170.9-66-53.3000112.6K289 A317 V318K289-D321 IonicContact NZ-OD1 3.09Å; K289-D321 PolarHBondContact NZ-OD1 3.03Å; K289-D321 IonicContact NZ-OD2 2.77Å; K289-D321 PolarHBondContact NZ-OD2 2.74Å; A317-D321 PolarHBondContact O-N 2.85Å; A317-D321 VanDerWaalsContact O-N 3.15Å; V318-D321 PolarHBondContact O-N 3.01Å; V318-D321 VanDerWaalsContact O-N 3.17Å
322S95.3Very high97.7Very high20 Ų2043.6 Ų43.614%0.1424%0.235CC..  trans-110124.3-174-76.20000111K50 A317 L320K50-S322 WeakPolarHBondContact CD-OG 3.46Å; K50-S322 PolarHBondContact NZ-OG 3Å; A317-S322 WeakPolarHBondContact CB-O 3.38Å; A317-S322 PolarHBondContact O-N 3.31Å; L320-S322 PolarHBondContact O-N 3.01Å; L320-S322 VanDerWaalsContact O-N 3.09Å; L320-S322 PolarHBondContact O-OG 3.44Å
323S95.4Very high97.6Very high124 Ų12445 Ų4587%0.86724%0.24SC*.  trans-77125.8171.3-177.10000110
324I97.3Very high97.5Very high19 Ų1947 Ų4710%0.09725%0.249CC..  trans-116.3145.1173.656.4172.6000110.7Y45 L47 T313 F314 A317 L343Y45-I324 HydrophobicContact CD1-CB 3.89Å; Y45-I324 HydrophobicContact CD1-CD1 4.43Å; Y45-I324 HydrophobicContact CD1-CG2 4.05Å; Y45-I324 HydrophobicContact CD2-CD1 4.48Å; Y45-I324 HydrophobicContact CE1-CB 3.93Å; Y45-I324 HydrophobicContact CE1-CD1 4.34Å; Y45-I324 HydrophobicContact CE2-CD1 4.38Å; Y45-I324 HydrophobicContact CG-CD1 4.5Å; Y45-I324 HydrophobicContact CG-CG2 4.47Å; L47-I324 HydrophobicContact CD1-CG2 4.33Å; L47-I324 HydrophobicContact CD2-CG2 3.83Å; L47-I324 HydrophobicContact CG-CG2 4.3Å; T313-I324 HydrophobicContact CG2-CD1 4.27Å; F314-I324 HydrophobicContact CD2-CD1 4.16Å; F314-I324 HydrophobicContact CD2-CG1 4.2Å; A317-I324 HydrophobicContact CB-CD1 3.75Å; A317-I324 HydrophobicContact CB-CG1 3.94Å; A317-I324 HydrophobicContact CB-CG2 4.12Å; I324-L343 HydrophobicContact CD1-CD2 3.48Å; I324-L343 VanDerWaalsContact CD1-CD2 3.48Å; I324-L343 HydrophobicContact CG1-CD2 3.92Å
325P97.8Very high97.4Very high80 Ų8051.1 Ų51.152%0.51927%0.269SS..  trans-69.9152.9-179.628.5-33.6000111.5Y45 E327Y45-P325 HydrophobicContact CE1-CG 3.98Å; Y45-P325 WeakPolarHBondContact CE1-O 3.49Å; Y45-P325 PolarHBondContact OH-O 3.44Å; P325-E327 PolarHBondContact O-N 2.94Å
326N98Very high97.3Very high62 Ų6257 Ų5733%0.33229%0.292SS..SBendtrans-71.1-18.5175.7-169.540.8000112.9K342 L343 H344N326-K342 CarbonylContact O-C 3.5Å; N326-K342 VanDerWaalsContact O-CA 3.22Å; N326-K342 WeakPolarHBondContact O-CA 3.45Å; N326-L343 PolarHBondContact O-N 3.4Å; N326-L343 PolarHBondContact OD1-N 3.16Å; N326-H344 WeakPolarHBondContact OD1-CB 3.35Å; N326-H344 PolarHBondContact OD1-CD2 3.36Å; N326-H344 PolarHBondContact OD1-N 3.06Å
327E97.6Very high97.2Very high106 Ų10657 Ų5750%0.49529%0.292SS..BIsolated β-bridgetrans-71125.4170.9-57.5-56.1144.200109.3Y45 P325 K342Y45-E327 PolarHBondContact OH-O 3.16Å; Y45-E327 VanDerWaalsContact OH-O 3.08Å; P325-E327 PolarHBondContact O-N 2.94Å; E327-K342 IonicContact OE1-NZ 3.8Å; E327-K342 PolarHBondContact OE1-NZ 2.95Å; E327-K342 IonicContact OE2-NZ 2.62Å; E327-K342 PolarHBondContact OE2-NZ 3.25Å
328L98Very high96.8Very high12 Ų1257.9 Ų57.96%0.06330%0.301CS..PPolyproline II helixtrans-71.8134.2173.9-69.7172.3000109.7L41 Y45 F334 F337 F341 K342 L343L41-L328 HydrophobicContact CD1-CD2 4.44Å; L41-L328 HydrophobicContact CD2-CD2 4.07Å; Y45-L328 HydrophobicContact CE2-CD2 3.99Å; L328-F334 HydrophobicContact CB-CE2 4.08Å; L328-F337 HydrophobicContact CD1-CB 3.32Å; L328-F337 HydrophobicContact CD1-CD1 3.68Å; L328-F337 HydrophobicContact CD1-CD2 3.92Å; L328-F337 HydrophobicContact CD1-CE1 4.46Å; L328-F337 HydrophobicContact CD1-CG 3.35Å; L328-F341 WeakPolarHBondContact CB-O 3.41Å; L328-F341 WeakPolarHBondContact CG-O 3.37Å; L328-F341 PolarHBondContact N-O 3.12Å; L328-K342 WeakPolarHBondContact CD1-O 3.36Å; L328-L343 HydrophobicContact CD2-CB 4.15Å; L328-L343 HydrophobicContact CD2-CD1 3.98Å
329P97.3Very high96.6Very high30 Ų3062.3 Ų62.320%0.19533%0.331CS..PPolyproline II helixtrans-68.9154169.831.5-35.4000109.9N44 Y45 N331 F334N44-P329 HydrophobicContact CB-CB 3.97Å; N44-P329 HydrophobicContact CB-CG 3.69Å; Y45-P329 HydrophobicContact CD1-CG 4.17Å; Y45-P329 HydrophobicContact CD2-CG 3.91Å; Y45-P329 HydrophobicContact CE1-CG 4.32Å; Y45-P329 VanDerWaalsContact CE2-CD 3.45Å; Y45-P329 HydrophobicContact CE2-CG 4.07Å; Y45-P329 HydrophobicContact CG-CG 3.97Å; P329-N331 PolarHBondContact O-N 3.41Å; P329-N331 PolarHBondContact O-ND2 3.02Å; P329-F334 WeakPolarHBondContact O-CD2 3.43Å
330Y97Very high96.5Very high162 Ų16265.6 Ų65.664%0.63535%0.348SS*.PPolyproline II helixtrans-57.4140.1170.7-173.9-102000109.7N44 F334N44-Y330 WeakPolarHBondContact CB-O 3.1Å; N44-Y330 PolarHBondContact OD1-O 3.49Å; N44-Y330 VanDerWaalsContact OD1-O 3.11Å; Y330-F334 HydrophobicContact CD2-CB 4.13Å; Y330-F334 HydrophobicContact CD2-CD1 4.25Å; Y330-F334 HydrophobicContact CD2-CG 4.06Å; Y330-F334 HydrophobicContact CE2-CB 4.24Å
331N96.3Very high96.4Very high2 Ų268.1 Ų68.11%0.01136%0.358CS..  trans-159.6168-173.770.681.8000109.4N40 L41 N44 P329 Y333 F334N40-N331 VanDerWaalsContact OD1-CB 3.27Å; N40-N331 WeakPolarHBondContact OD1-CB 3.45Å; L41-N331 HydrophobicContact CD2-CB 4.44Å; L41-N331 WeakPolarHBondContact CD2-ND2 3.44Å; N44-N331 HydrophobicContact CB-CB 4.29Å; N44-N331 WeakPolarHBondContact ND2-CB 3.47Å; P329-N331 PolarHBondContact O-N 3.41Å; P329-N331 PolarHBondContact O-ND2 3.02Å; N331-Y333 PolarHBondContact O-N 3.33Å; N331-Y333 WeakPolarHBondContact OD1-CA 3.48Å; N331-Y333 PolarHBondContact OD1-N 3.1Å; N331-F334 WeakPolarHBondContact O-CB 3.48Å; N331-F334 PolarHBondContact O-N 3.39Å; N331-F334 VanDerWaalsContact O-N 3.11Å; N331-F334 PolarHBondContact OD1-N 3.45Å; N331-F334 VanDerWaalsContact OD1-N 3.1Å
332D96.9Very high96.5Very high109 Ų10965.9 Ų65.958%0.58334%0.344SS*.THydrogen-bonded Turntrans-64.3-18-173.2-61.7-25.5000113.3N40N40-D332 PolarHBondContact ND2-OD2 2.96Å; N40-D332 PolarHBondContact OD1-N 3.45Å
333Y97.2Very high96.6Very high28 Ų2864.9 Ų64.911%0.1134%0.337CS..THydrogen-bonded Turntrans-117.821-178-50.2-67.5000112H33 R36 M37 N40 N331 E335 Y336 F337H33-Y333 AromaticContact CE1-CE1 3.48Å; H33-Y333 VanDerWaalsContact CE1-CE1 3.48Å; H33-Y333 WeakPolarHBondContact CE1-CE1 3.21Å; H33-Y333 AromaticContact CE1-CZ 3.59Å; H33-Y333 PolarHBondContact CE1-OH 3.25Å; H33-Y333 AromaticContact NE2-CD1 3.77Å; H33-Y333 AromaticContact NE2-CE1 3.34Å; H33-Y333 VanDerWaalsContact NE2-CE1 3.34Å; H33-Y333 WeakPolarHBondContact NE2-CE1 3.42Å; H33-Y333 AromaticContact NE2-CZ 3.76Å; R36-Y333 WeakPolarHBondContact CD-OH 3.36Å; R36-Y333 HydrophobicContact CG-CE2 4.21Å; R36-Y333 PolarHBondContact NE-OH 3.35Å; M37-Y333 HydrophobicContact CB-CD2 4.31Å; M37-Y333 HydrophobicContact CG-CD2 3.91Å; M37-Y333 HydrophobicContact CG-CE2 4.32Å; M37-Y333 HydrophobicContact CG-CG 4.04Å; N40-Y333 HydrophobicContact CB-CD2 4.11Å; N40-Y333 HydrophobicContact CB-CE2 4Å; N331-Y333 PolarHBondContact O-N 3.33Å; N331-Y333 WeakPolarHBondContact OD1-CA 3.48Å; N331-Y333 PolarHBondContact OD1-N 3.1Å; Y333-E335 PolarHBondContact O-N 3.33Å; Y333-E335 VanDerWaalsContact O-N 3.11Å; Y333-Y336 HydrophobicContact CD1-CE2 4.5Å; Y333-Y336 VanDerWaalsContact O-CB 3.31Å; Y333-Y336 WeakPolarHBondContact O-CB 3.38Å; Y333-Y336 PolarHBondContact O-N 3.09Å; Y333-F337 WeakPolarHBondContact O-CD2 3.22Å; Y333-F337 WeakPolarHBondContact O-CE2 3.26Å
334F96.3Very high96.7Very high43 Ų4360.7 Ų60.719%0.18930%0.304CS..G310 helixtrans-54.5-37.6-170.3-171.6-105.1000113L328 P329 Y330 N331 Y336 F337 F341L328-F334 HydrophobicContact CB-CE2 4.08Å; P329-F334 WeakPolarHBondContact O-CD2 3.43Å; Y330-F334 HydrophobicContact CD2-CB 4.13Å; Y330-F334 HydrophobicContact CD2-CD1 4.25Å; Y330-F334 HydrophobicContact CD2-CG 4.06Å; Y330-F334 HydrophobicContact CE2-CB 4.24Å; N331-F334 WeakPolarHBondContact O-CB 3.48Å; N331-F334 PolarHBondContact O-N 3.39Å; N331-F334 VanDerWaalsContact O-N 3.11Å; N331-F334 PolarHBondContact OD1-N 3.45Å; N331-F334 VanDerWaalsContact OD1-N 3.1Å; F334-Y336 PolarHBondContact O-N 2.96Å; F334-F337 PolarHBondContact O-N 2.94Å; F334-F337 VanDerWaalsContact O-N 3.13Å; F334-F341 AromaticContact CD1-CD1 3.69Å; F334-F341 HydrophobicContact CD1-CD1 3.69Å; F334-F341 AromaticContact CD1-CE1 3.7Å; F334-F341 HydrophobicContact CD1-CE1 3.7Å; F334-F341 HydrophobicContact CD2-CD1 4.43Å; F334-F341 HydrophobicContact CE1-CB 4.36Å; F334-F341 AromaticContact CE1-CD1 3.22Å; F334-F341 HydrophobicContact CE1-CD1 3.22Å; F334-F341 AromaticContact CE1-CE1 3.5Å; F334-F341 HydrophobicContact CE1-CE1 3.5Å; F334-F341 VanDerWaalsContact CE1-CE1 3.5Å; F334-F341 AromaticContact CE1-CG 3.81Å; F334-F341 HydrophobicContact CE1-CG 3.81Å; F334-F341 HydrophobicContact CE1-CZ 4.28Å; F334-F341 HydrophobicContact CE2-CB 4.26Å; F334-F341 HydrophobicContact CE2-CD1 4.05Å; F334-F341 HydrophobicContact CE2-CG 4.49Å; F334-F341 HydrophobicContact CG-CD1 4.28Å; F334-F341 HydrophobicContact CZ-CB 3.74Å; F334-F341 AromaticContact CZ-CD1 3.43Å; F334-F341 HydrophobicContact CZ-CD1 3.43Å; F334-F341 VanDerWaalsContact CZ-CD1 3.43Å; F334-F341 HydrophobicContact CZ-CE1 4.19Å; F334-F341 AromaticContact CZ-CG 3.71Å; F334-F341 HydrophobicContact CZ-CG 3.71Å; F334-F341 WeakPolarHBondContact O-CE1 3.43Å
335E97.1Very high96.7Very high125 Ų12560.9 Ų60.958%0.58430%0.304SS*.G310 helixtrans-63.7-23.9-179.7-64.273.8-160.700113.3Y333 F337 G338Y333-E335 PolarHBondContact O-N 3.33Å; Y333-E335 VanDerWaalsContact O-N 3.11Å; E335-F337 PolarHBondContact O-N 3.38Å; E335-G338 PolarHBondContact O-N 3.32Å
336Y96.8Very high96.6Very high123 Ų12362 Ų6248%0.48231%0.314SS..G310 helixtrans-65.8-21.1177.2-79-114.4000112.7M37 I305 Y333 F334M37-Y336 HydrophobicContact CE-CD1 3.87Å; M37-Y336 HydrophobicContact CE-CG 3.94Å; M37-Y336 HydrophobicContact SD-CD1 4.42Å; I305-Y336 HydrophobicContact CD1-CD1 4.3Å; I305-Y336 HydrophobicContact CD1-CE1 4.16Å; Y333-Y336 HydrophobicContact CD1-CE2 4.5Å; Y333-Y336 VanDerWaalsContact O-CB 3.31Å; Y333-Y336 WeakPolarHBondContact O-CB 3.38Å; Y333-Y336 PolarHBondContact O-N 3.09Å; F334-Y336 PolarHBondContact O-N 2.96Å
337F97.3Very high96.6Very high0 Ų062.5 Ų62.50%032%0.321CS..G310 helixtrans-95.49.8-177.3-53.9-80.2000113.4M37 L41 R306 A309 R310 L328 Y333 F334 E335 F341M37-F337 HydrophobicContact CE-CE1 4.48Å; M37-F337 HydrophobicContact CE-CE2 4.38Å; M37-F337 HydrophobicContact CE-CZ 3.91Å; L41-F337 HydrophobicContact CD1-CE1 4Å; L41-F337 HydrophobicContact CD1-CE2 4.36Å; L41-F337 HydrophobicContact CD1-CZ 3.6Å; L41-F337 HydrophobicContact CD2-CE2 4.21Å; L41-F337 HydrophobicContact CD2-CZ 4.26Å; L41-F337 HydrophobicContact CG-CE2 4.45Å; L41-F337 HydrophobicContact CG-CZ 4.09Å; R306-F337 HydrophobicContact CB-CD1 4.11Å; R306-F337 HydrophobicContact CB-CE1 4.17Å; R306-F337 WeakPolarHBondContact O-CE1 3.48Å; A309-F337 HydrophobicContact CB-CE1 4.11Å; A309-F337 HydrophobicContact CB-CZ 4.05Å; R310-F337 HydrophobicContact CG-CD1 4.11Å; R310-F337 HydrophobicContact CG-CE1 4.03Å; R310-F337 PolarHBondContact NH2-O 3.06Å; L328-F337 HydrophobicContact CD1-CB 3.32Å; L328-F337 HydrophobicContact CD1-CD1 3.68Å; L328-F337 HydrophobicContact CD1-CD2 3.92Å; L328-F337 HydrophobicContact CD1-CE1 4.46Å; L328-F337 HydrophobicContact CD1-CG 3.35Å; Y333-F337 WeakPolarHBondContact O-CD2 3.22Å; Y333-F337 WeakPolarHBondContact O-CE2 3.26Å; F334-F337 PolarHBondContact O-N 2.94Å; F334-F337 VanDerWaalsContact O-N 3.13Å; E335-F337 PolarHBondContact O-N 3.38Å; F337-F341 HydrophobicContact CB-CD1 4.47Å; F337-F341 WeakPolarHBondContact O-CA 3.38Å; F337-F341 PolarHBondContact O-N 2.91Å
338G90.1Very high96.5Very high19 Ų1960 Ų6020%0.19632%0.315CS..THydrogen-bonded Turntrans-66.2156.217300000113.1R306 E335R306-G338 PolarHBondContact NH1-O 2.9Å; E335-G338 PolarHBondContact O-N 3.32Å
339P94.5Very high96.4Very high120 Ų12067.3 Ų67.378%0.77935%0.354SS*.THydrogen-bonded Turncis-90.6-7.94.935.6-36000114.9F341P339-F341 WeakPolarHBondContact O-CD2 3.1Å; P339-F341 WeakPolarHBondContact O-CE2 3.22Å
340D95.4Very high96.3Very high69 Ų6969.8 Ų69.837%0.36936%0.364SS..THydrogen-bonded Turntrans-95.3-25.3-167.364.8-43.6000113.8R310 K342R310-D340 IonicContact NH2-OD1 3.58Å; R310-D340 PolarHBondContact NH2-OD1 3.32Å; R310-D340 IonicContact NH2-OD2 2.68Å; D340-K342 HydrophobicContact CB-CG 4.19Å; D340-K342 VanDerWaalsContact O-CE 3.29Å; D340-K342 WeakPolarHBondContact O-CE 3.37Å; D340-K342 WeakPolarHBondContact O-CG 3.25Å; D340-K342 PolarHBondContact O-N 3.17Å
341F96.8Very high96.4Very high70 Ų7067.2 Ų67.231%0.30737%0.365SS..  trans54.732.5179.8-51.4-81.9000113.4L328 F334 F337 P339L328-F341 WeakPolarHBondContact CB-O 3.41Å; L328-F341 WeakPolarHBondContact CG-O 3.37Å; L328-F341 PolarHBondContact N-O 3.12Å; F334-F341 AromaticContact CD1-CD1 3.69Å; F334-F341 HydrophobicContact CD1-CD1 3.69Å; F334-F341 AromaticContact CD1-CE1 3.7Å; F334-F341 HydrophobicContact CD1-CE1 3.7Å; F334-F341 HydrophobicContact CD2-CD1 4.43Å; F334-F341 HydrophobicContact CE1-CB 4.36Å; F334-F341 AromaticContact CE1-CD1 3.22Å; F334-F341 HydrophobicContact CE1-CD1 3.22Å; F334-F341 AromaticContact CE1-CE1 3.5Å; F334-F341 HydrophobicContact CE1-CE1 3.5Å; F334-F341 VanDerWaalsContact CE1-CE1 3.5Å; F334-F341 AromaticContact CE1-CG 3.81Å; F334-F341 HydrophobicContact CE1-CG 3.81Å; F334-F341 HydrophobicContact CE1-CZ 4.28Å; F334-F341 HydrophobicContact CE2-CB 4.26Å; F334-F341 HydrophobicContact CE2-CD1 4.05Å; F334-F341 HydrophobicContact CE2-CG 4.49Å; F334-F341 HydrophobicContact CG-CD1 4.28Å; F334-F341 HydrophobicContact CZ-CB 3.74Å; F334-F341 AromaticContact CZ-CD1 3.43Å; F334-F341 HydrophobicContact CZ-CD1 3.43Å; F334-F341 VanDerWaalsContact CZ-CD1 3.43Å; F334-F341 HydrophobicContact CZ-CE1 4.19Å; F334-F341 AromaticContact CZ-CG 3.71Å; F334-F341 HydrophobicContact CZ-CG 3.71Å; F334-F341 WeakPolarHBondContact O-CE1 3.43Å; F337-F341 HydrophobicContact CB-CD1 4.47Å; F337-F341 WeakPolarHBondContact O-CA 3.38Å; F337-F341 PolarHBondContact O-N 2.91Å; P339-F341 WeakPolarHBondContact O-CD2 3.1Å; P339-F341 WeakPolarHBondContact O-CE2 3.22Å
342K98Very high96.5Very high60 Ų6069 Ų6926%0.26138%0.375SS..BIsolated β-bridgetrans-102.3156.8176.7-52.4-53.9175.2-174.30112.1R310 N326 E327 L328 D340R310-K342 VanDerWaalsContact CZ-O 3.24Å; R310-K342 PolarHBondContact NE-O 2.85Å; R310-K342 PolarHBondContact NH2-O 2.71Å; N326-K342 CarbonylContact O-C 3.5Å; N326-K342 VanDerWaalsContact O-CA 3.22Å; N326-K342 WeakPolarHBondContact O-CA 3.45Å; E327-K342 IonicContact OE1-NZ 3.8Å; E327-K342 PolarHBondContact OE1-NZ 2.95Å; E327-K342 IonicContact OE2-NZ 2.62Å; E327-K342 PolarHBondContact OE2-NZ 3.25Å; L328-K342 WeakPolarHBondContact CD1-O 3.36Å; D340-K342 HydrophobicContact CB-CG 4.19Å; D340-K342 VanDerWaalsContact O-CE 3.29Å; D340-K342 WeakPolarHBondContact O-CE 3.37Å; D340-K342 WeakPolarHBondContact O-CG 3.25Å; D340-K342 PolarHBondContact O-N 3.17Å
343L98.1Very high96.5Very high0 Ų068.3 Ų68.30%037%0.368CS..SBendtrans-75.1-49174.7-17765.7000111.4Y45 I278 R310 T313 F314 I324 N326 L328Y45-L343 HydrophobicContact CE2-CD1 4.31Å; I278-L343 WeakPolarHBondContact CD1-O 3.22Å; R310-L343 HydrophobicContact CB-CD1 3.99Å; R310-L343 WeakPolarHBondContact CB-O 3.12Å; R310-L343 VanDerWaalsContact CD-O 3.26Å; R310-L343 WeakPolarHBondContact CD-O 3.44Å; R310-L343 HydrophobicContact CG-CD1 4.22Å; R310-L343 WeakPolarHBondContact CG-O 3.15Å; T313-L343 HydrophobicContact CG2-CD1 4.41Å; F314-L343 HydrophobicContact CB-CD2 4.24Å; F314-L343 HydrophobicContact CD2-CD2 3.76Å; F314-L343 HydrophobicContact CG-CD2 4.37Å; I324-L343 HydrophobicContact CD1-CD2 3.48Å; I324-L343 VanDerWaalsContact CD1-CD2 3.48Å; I324-L343 HydrophobicContact CG1-CD2 3.92Å; N326-L343 PolarHBondContact O-N 3.4Å; N326-L343 PolarHBondContact OD1-N 3.16Å; L328-L343 HydrophobicContact CD2-CB 4.15Å; L328-L343 HydrophobicContact CD2-CD1 3.98Å
344H97.9Very high96.6Very high36 Ų3667.2 Ų67.217%0.16736%0.364CS..  trans-81.8145.7-175.4-64.1-55.9000112.9K279 F314 N326K279-H344 VanDerWaalsContact CE-CD2 3.45Å; K279-H344 WeakPolarHBondContact CE-CD2 3.4Å; K279-H344 VanDerWaalsContact CE-CE1 3.43Å; K279-H344 WeakPolarHBondContact CE-CE1 3.32Å; K279-H344 WeakPolarHBondContact CE-NE2 3.35Å; F314-H344 AromaticContact CD2-CE1 3.82Å; F314-H344 AromaticContact CE2-CE1 3.54Å; F314-H344 AromaticContact CZ-CE1 3.71Å; N326-H344 WeakPolarHBondContact OD1-CB 3.35Å; N326-H344 PolarHBondContact OD1-CD2 3.36Å; N326-H344 PolarHBondContact OD1-N 3.06Å
345I96.7Very high96.7Very high23 Ų2368.6 Ų68.612%0.11838%0.376CS..  trans-106.3151.8172.964.9177.6000110.4L266 I278L266-I345 HydrophobicContact CB-CD1 4.44Å; I278-I345 HydrophobicContact CD1-CD1 4.46Å; I278-I345 HydrophobicContact CD1-CG1 4.08Å; I278-I345 HydrophobicContact CD1-CG2 4.01Å; I278-I345 HydrophobicContact CG1-CD1 4.22Å; I278-I345 HydrophobicContact CG1-CG1 4.06Å
346S95.7Very high96.7Very high102 Ų10268 Ų6871%0.71338%0.377SS*.PPolyproline II helixtrans-93150.4170.7-61.60000110.6
347P96.7Very high96.8Very high74 Ų7468.7 Ų68.748%0.48139%0.385SS..PPolyproline II helixtrans-65.9154.817230.3-33.7000110.3T277T277-P347 HydrophobicContact CG2-CB 4.24Å; T277-P347 HydrophobicContact CG2-CG 4.29Å
348S96.2Very high96.8Very high52 Ų5271.1 Ų71.136%0.36439%0.394SS..PPolyproline II helixtrans-80.4171.9172.674.20000111.5S267 N275 M350S267-S348 PolarHBondContact OG-N 3.24Å; N275-S348 PolarHBondContact ND2-O 3.14Å; N275-S348 WeakPolarHBondContact OD1-CB 3.45Å; N275-S348 PolarHBondContact OD1-N 3.43Å; N275-S348 PolarHBondContact OD1-OG 2.91Å; S348-M350 PolarHBondContact O-N 2.87Å; S348-M350 VanDerWaalsContact OG-CB 3.26Å; S348-M350 WeakPolarHBondContact OG-CB 3.48Å; S348-M350 PolarHBondContact OG-N 2.9Å
349N96Very high97.2Very high166 Ų16670.4 Ų70.489%0.88839%0.386SS*.SBendtrans-8115.4172.268.8-30.6000113.6
350M95.9Very high97.4Very high82 Ų8268.4 Ų68.440%0.40437%0.366SS..  trans-58139.7175.3-177.7179.5-7400110.5G231 S348G231-M350 VanDerWaalsContact CA-SD 3.54Å; S348-M350 PolarHBondContact O-N 2.87Å; S348-M350 VanDerWaalsContact OG-CB 3.26Å; S348-M350 WeakPolarHBondContact OG-CB 3.48Å; S348-M350 PolarHBondContact OG-N 2.9Å
351T97.9Very high97.5Very high109 Ų10971.1 Ų71.167%0.66937%0.374SS*.  trans-75.9126.9176.9-56.90000110.4Q353T351-Q353 PolarHBondContact O-N 2.94Å
352N98.4Very high97.6Very high38 Ų3868.1 Ų68.120%0.20336%0.362CS..  trans-72.7112.9171.2-174.6-5.4000110.1G231 D233 S236 N354G231-N352 VanDerWaalsContact O-CA 3.25Å; G231-N352 WeakPolarHBondContact O-CA 3.49Å; G231-N352 WeakPolarHBondContact O-CB 3.26Å; D233-N352 VanDerWaalsContact CG-ND2 3.34Å; D233-N352 PolarHBondContact OD2-ND2 3.16Å; S236-N352 PolarHBondContact OG-ND2 3.02Å; S236-N352 VanDerWaalsContact OG-ND2 3.12Å; N352-N354 VanDerWaalsContact C-N 3.27Å; N352-N354 VanDerWaalsContact OD1-CB 3.22Å; N352-N354 WeakPolarHBondContact OD1-CB 3.47Å; N352-N354 PolarHBondContact OD1-N 2.93Å; N352-N354 PolarHBondContact OD1-ND2 3.01Å
353Q98.4Very high97.6Very high96 Ų9666.8 Ų66.845%0.44936%0.356SS..  trans-86.11.3-179.7-60.7-173.533.800113.4R229 D230 T351 T355R229-Q353 HydrophobicContact CB-CB 3.89Å; R229-Q353 WeakPolarHBondContact CD-O 3.22Å; D230-Q353 PolarHBondContact O-N 2.97Å; T351-Q353 PolarHBondContact O-N 2.94Å; Q353-T355 PolarHBondContact O-N 3.07Å
354N98.4Very high97.6Very high4 Ų472.3 Ų72.32%0.02138%0.382CS..  trans-94.586.8-179.6-55.8-86.4000109.5R229 D230 N352 Y358 L359R229-N354 PolarHBondContact N-OD1 3.18Å; R229-N354 PolarHBondContact O-ND2 2.99Å; D230-N354 PolarHBondContact O-ND2 3.37Å; N352-N354 VanDerWaalsContact C-N 3.27Å; N352-N354 VanDerWaalsContact OD1-CB 3.22Å; N352-N354 WeakPolarHBondContact OD1-CB 3.47Å; N352-N354 PolarHBondContact OD1-N 2.93Å; N352-N354 PolarHBondContact OD1-ND2 3.01Å; N354-Y358 HydrophobicContact CB-CD1 4.37Å; N354-L359 HydrophobicContact CB-CD1 4.12Å; N354-L359 HydrophobicContact CB-CD2 3.91Å; N354-L359 HydrophobicContact CB-CG 4.03Å
355T98.3Very high97.6Very high72 Ų7276.2 Ų76.244%0.44240%0.395SS..  trans-65.9153.7176.8810000111Q353 E357 Y358 L359Q353-T355 PolarHBondContact O-N 3.07Å; T355-E357 VanDerWaalsContact CB-OE2 3.23Å; T355-E357 WeakPolarHBondContact CB-OE2 3.4Å; T355-E357 PolarHBondContact O-N 2.99Å; T355-E357 PolarHBondContact OG1-OE2 3.22Å; T355-Y358 WeakPolarHBondContact O-CB 3.33Å; T355-Y358 PolarHBondContact O-N 3.03Å; T355-Y358 PolarHBondContact OG1-N 3.08Å; T355-L359 PolarHBondContact O-N 3.39Å
356N97.8Very high97.7Very high113 Ų11375.2 Ų75.260%0.60439%0.39SS*.Hα-helixtrans-56.1-38.5178.5-69.9-25.5000111.9Y358 L359 E360N356-Y358 VanDerWaalsContact C-N 3.33Å; N356-Y358 PolarHBondContact O-N 2.98Å; N356-L359 PolarHBondContact O-N 3.04Å; N356-E360 WeakPolarHBondContact O-CB 3.48Å; N356-E360 VanDerWaalsContact O-CG 3.29Å; N356-E360 WeakPolarHBondContact O-CG 3.38Å; N356-E360 PolarHBondContact O-N 3.19Å
357E98.1Very high97.8Very high138 Ų13872.8 Ų72.865%0.64537%0.366SS*.Hα-helixtrans-65.1-37.9177.8-54.974.6-159.900111.9T355 K361T355-E357 VanDerWaalsContact CB-OE2 3.23Å; T355-E357 WeakPolarHBondContact CB-OE2 3.4Å; T355-E357 PolarHBondContact O-N 2.99Å; T355-E357 PolarHBondContact OG1-OE2 3.22Å; E357-K361 VanDerWaalsContact O-CB 3.22Å; E357-K361 WeakPolarHBondContact O-CB 3.38Å; E357-K361 PolarHBondContact O-N 2.9Å; E357-K361 VanDerWaalsContact O-N 3.09Å
358Y98.3Very high97.9Very high50 Ų5074.3 Ų74.320%0.19637%0.367CS..Hα-helixtrans-65-48.8176.2171.3-104.6000111P227 R229 N354 T355 N356 K361 I362P227-Y358 PolarHBondContact O-OH 3.38Å; R229-Y358 HydrophobicContact CG-CE1 4.18Å; N354-Y358 HydrophobicContact CB-CD1 4.37Å; T355-Y358 WeakPolarHBondContact O-CB 3.33Å; T355-Y358 PolarHBondContact O-N 3.03Å; T355-Y358 PolarHBondContact OG1-N 3.08Å; N356-Y358 VanDerWaalsContact C-N 3.33Å; N356-Y358 PolarHBondContact O-N 2.98Å; Y358-K361 PolarHBondContact O-N 3.3Å; Y358-I362 HydrophobicContact CD1-CD1 4.18Å; Y358-I362 HydrophobicContact CD2-CD1 4.18Å; Y358-I362 HydrophobicContact CE1-CD1 3.61Å; Y358-I362 HydrophobicContact CE2-CD1 3.6Å; Y358-I362 HydrophobicContact CE2-CG1 4.48Å; Y358-I362 HydrophobicContact CG-CD1 4.45Å; Y358-I362 PolarHBondContact O-N 3.34Å
359L98.4Very high98Very high5 Ų573.7 Ų73.73%0.02636%0.36CS..Hα-helixtrans-62.7-49.9179.1-66179.2000111.5Y226 L228 I240 N354 T355 N356 K361 I362 K363Y226-L359 HydrophobicContact CE1-CD2 3.89Å; Y226-L359 WeakPolarHBondContact OH-CA 3.34Å; Y226-L359 PolarHBondContact OH-O 3.34Å; L228-L359 HydrophobicContact CD2-CD2 3.76Å; I240-L359 HydrophobicContact CD1-CD2 4.36Å; I240-L359 HydrophobicContact CG2-CB 4.03Å; I240-L359 HydrophobicContact CG2-CD1 4.21Å; I240-L359 HydrophobicContact CG2-CD2 4.33Å; I240-L359 HydrophobicContact CG2-CG 4.42Å; N354-L359 HydrophobicContact CB-CD1 4.12Å; N354-L359 HydrophobicContact CB-CD2 3.91Å; N354-L359 HydrophobicContact CB-CG 4.03Å; T355-L359 PolarHBondContact O-N 3.39Å; N356-L359 PolarHBondContact O-N 3.04Å; L359-K361 VanDerWaalsContact C-N 3.28Å; L359-K361 PolarHBondContact O-N 3.2Å; L359-I362 PolarHBondContact O-N 3.43Å; L359-K363 WeakPolarHBondContact O-CB 3.36Å; L359-K363 PolarHBondContact O-N 3.2Å
360E97.8Very high98Very high77 Ų7765.8 Ų65.836%0.3632%0.318SS..Hα-helixtrans-59.3-38.9178.8-74-58.5142.200112.4N356 I362 K363 Q364N356-E360 WeakPolarHBondContact O-CB 3.48Å; N356-E360 VanDerWaalsContact O-CG 3.29Å; N356-E360 WeakPolarHBondContact O-CG 3.38Å; N356-E360 PolarHBondContact O-N 3.19Å; E360-I362 PolarHBondContact O-N 3.12Å; E360-K363 PolarHBondContact O-N 2.99Å; E360-K363 WeakPolarHBondContact OE1-CE 3.35Å; E360-K363 IonicContact OE1-NZ 2.84Å; E360-K363 PolarHBondContact OE1-NZ 3.37Å; E360-K363 WeakPolarHBondContact OE2-CE 3.24Å; E360-K363 IonicContact OE2-NZ 3.66Å; E360-K363 PolarHBondContact OE2-NZ 3.21Å; E360-Q364 WeakPolarHBondContact O-CB 3.39Å; E360-Q364 VanDerWaalsContact O-CG 3.26Å; E360-Q364 WeakPolarHBondContact O-CG 3.27Å; E360-Q364 PolarHBondContact O-N 3.46Å
361K98.3Very high97.9Very high126 Ų12669.1 Ų69.155%0.54833%0.326SS..Hα-helixtrans-64.4-40.3178.3-175.8177.9-179.1179.10112.5E357 Y358 L359 R365E357-K361 VanDerWaalsContact O-CB 3.22Å; E357-K361 WeakPolarHBondContact O-CB 3.38Å; E357-K361 PolarHBondContact O-N 2.9Å; E357-K361 VanDerWaalsContact O-N 3.09Å; Y358-K361 PolarHBondContact O-N 3.3Å; L359-K361 VanDerWaalsContact C-N 3.28Å; L359-K361 PolarHBondContact O-N 3.2Å; K361-R365 WeakPolarHBondContact O-CG 3.48Å; K361-R365 PolarHBondContact O-N 2.8Å
362I98.5Very high97.8Very high8 Ų869.3 Ų69.34%0.04132%0.32CS..Hα-helixtrans-67.5-50.5175.4-69170.6000109.6L211 Y226 P227 Y358 L359 E360 Q364 R365 L366L211-I362 HydrophobicContact CD1-CG2 3.99Å; L211-I362 HydrophobicContact CD2-CG1 4.24Å; Y226-I362 HydrophobicContact CD1-CG2 3.81Å; Y226-I362 HydrophobicContact CD2-CG2 4.05Å; Y226-I362 HydrophobicContact CE1-CB 4.04Å; Y226-I362 HydrophobicContact CE1-CD1 4.23Å; Y226-I362 HydrophobicContact CE1-CG2 3.63Å; Y226-I362 HydrophobicContact CE2-CG2 3.89Å; Y226-I362 HydrophobicContact CG-CG2 4.01Å; P227-I362 HydrophobicContact CG-CD1 4.2Å; P227-I362 VanDerWaalsContact O-CD1 3.29Å; P227-I362 WeakPolarHBondContact O-CD1 3.39Å; Y358-I362 HydrophobicContact CD1-CD1 4.18Å; Y358-I362 HydrophobicContact CD2-CD1 4.18Å; Y358-I362 HydrophobicContact CE1-CD1 3.61Å; Y358-I362 HydrophobicContact CE2-CD1 3.6Å; Y358-I362 HydrophobicContact CE2-CG1 4.48Å; Y358-I362 HydrophobicContact CG-CD1 4.45Å; Y358-I362 PolarHBondContact O-N 3.34Å; L359-I362 PolarHBondContact O-N 3.43Å; E360-I362 PolarHBondContact O-N 3.12Å; I362-Q364 VanDerWaalsContact C-N 3.3Å; I362-Q364 PolarHBondContact O-N 2.83Å; I362-R365 PolarHBondContact O-N 2.89Å; I362-R365 VanDerWaalsContact O-N 3.08Å; I362-L366 HydrophobicContact CG2-CD1 3.95Å; I362-L366 HydrophobicContact CG2-CG 4.24Å; I362-L366 WeakPolarHBondContact O-CG 3.43Å; I362-L366 PolarHBondContact O-N 3.32Å
363K98.2Very high97.4Very high32 Ų3267.8 Ų67.814%0.13931%0.312CS..Hα-helixtrans-54.1-45179.4-171.9178.670.2-172.30112.2Y226 P243 I244 L359 E360 R365 L366 F367Y226-K363 HydrophobicContact CE2-CB 4.36Å; P243-K363 HydrophobicContact CB-CD 4.26Å; I244-K363 HydrophobicContact CD1-CG 4.01Å; I244-K363 HydrophobicContact CG1-CG 4.27Å; L359-K363 WeakPolarHBondContact O-CB 3.36Å; L359-K363 PolarHBondContact O-N 3.2Å; E360-K363 PolarHBondContact O-N 2.99Å; E360-K363 WeakPolarHBondContact OE1-CE 3.35Å; E360-K363 IonicContact OE1-NZ 2.84Å; E360-K363 PolarHBondContact OE1-NZ 3.37Å; E360-K363 WeakPolarHBondContact OE2-CE 3.24Å; E360-K363 IonicContact OE2-NZ 3.66Å; E360-K363 PolarHBondContact OE2-NZ 3.21Å; K363-R365 PolarHBondContact O-N 3.33Å; K363-L366 PolarHBondContact O-N 3.11Å; K363-F367 HydrophobicContact CD-CE2 4.42Å; K363-F367 HydrophobicContact CG-CD2 4.02Å; K363-F367 HydrophobicContact CG-CE2 3.81Å; K363-F367 WeakPolarHBondContact O-CD2 3.42Å; K363-F367 PolarHBondContact O-N 2.74Å
364Q98.2Very high96.6Very high115 Ų11566.6 Ų66.654%0.53731%0.313SS..Hα-helixtrans-60.6-44.5177.5-75.6175.812.700112.6E360 I362 F367 E368E360-Q364 WeakPolarHBondContact O-CB 3.39Å; E360-Q364 VanDerWaalsContact O-CG 3.26Å; E360-Q364 WeakPolarHBondContact O-CG 3.27Å; E360-Q364 PolarHBondContact O-N 3.46Å; I362-Q364 VanDerWaalsContact C-N 3.3Å; I362-Q364 PolarHBondContact O-N 2.83Å; Q364-F367 WeakPolarHBondContact O-CB 3.42Å; Q364-F367 PolarHBondContact O-N 3.12Å; Q364-E368 WeakPolarHBondContact O-CG 3.37Å; Q364-E368 PolarHBondContact O-N 3.46Å
365R98.3Very high95Very high118 Ų11872.1 Ų72.145%0.44534%0.338SS..Hα-helixtrans-64.4-40.2176.9-73.9176.4170.6-164.1-0.4112.3L211 K361 I362 K363 F367 E368 N369L211-R365 HydrophobicContact CD1-CB 4.44Å; L211-R365 HydrophobicContact CD2-CB 4.25Å; L211-R365 VanDerWaalsContact CD2-CD 3.46Å; K361-R365 WeakPolarHBondContact O-CG 3.48Å; K361-R365 PolarHBondContact O-N 2.8Å; I362-R365 PolarHBondContact O-N 2.89Å; I362-R365 VanDerWaalsContact O-N 3.08Å; K363-R365 PolarHBondContact O-N 3.33Å; R365-F367 VanDerWaalsContact C-N 3.32Å; R365-F367 PolarHBondContact O-N 2.84Å; R365-E368 WeakPolarHBondContact O-CB 3.44Å; R365-E368 PolarHBondContact O-N 2.77Å; R365-N369 PolarHBondContact O-N 2.84Å
366L98.4Very high92.8Very high3 Ų372.8 Ų72.82%0.01635%0.351CS..Hα-helixtrans-65.3-37.8174.7-65.8-178.3000111.6L211 V224 Y226 I244 I362 K363 E368 N369 L370L211-L366 HydrophobicContact CD1-CD2 3.5Å; L211-L366 HydrophobicContact CD1-CG 3.89Å; V224-L366 HydrophobicContact CG1-CD1 4.24Å; V224-L366 HydrophobicContact CG1-CD2 4.1Å; Y226-L366 HydrophobicContact CD2-CD1 3.43Å; Y226-L366 VanDerWaalsContact CD2-CD1 3.43Å; Y226-L366 HydrophobicContact CE2-CD1 4.05Å; Y226-L366 HydrophobicContact CG-CD1 4.05Å; I244-L366 HydrophobicContact CD1-CB 3.72Å; I244-L366 HydrophobicContact CD1-CD1 3.83Å; I244-L366 HydrophobicContact CD1-CG 4.44Å; I362-L366 HydrophobicContact CG2-CD1 3.95Å; I362-L366 HydrophobicContact CG2-CG 4.24Å; I362-L366 WeakPolarHBondContact O-CG 3.43Å; I362-L366 PolarHBondContact O-N 3.32Å; K363-L366 PolarHBondContact O-N 3.11Å; L366-E368 VanDerWaalsContact C-N 3.32Å; L366-E368 PolarHBondContact O-N 3.14Å; L366-N369 PolarHBondContact O-N 3.04Å; L366-L370 WeakPolarHBondContact O-CB 3.07Å; L366-L370 VanDerWaalsContact O-CG 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.46Å; L366-L370 PolarHBondContact O-N 2.82Å
367F98.1Very high90.7Very high50 Ų5070 Ų7022%0.21934%0.339CS..Hα-helixtrans-63.4-37.4172.9-88.9-128.6000112.3P243 I244 K247 K363 Q364 R365 R371P243-F367 HydrophobicContact CB-CE2 4.49Å; P243-F367 HydrophobicContact CB-CZ 4.12Å; I244-F367 HydrophobicContact CD1-CD2 3.9Å; I244-F367 HydrophobicContact CD1-CE2 3.78Å; I244-F367 HydrophobicContact CG1-CE2 4.4Å; K247-F367 HydrophobicContact CB-CE1 4.38Å; K247-F367 HydrophobicContact CB-CE2 4.26Å; K247-F367 HydrophobicContact CB-CZ 4.06Å; K247-F367 HydrophobicContact CG-CD1 4.45Å; K247-F367 HydrophobicContact CG-CE1 4.38Å; K247-F367 HydrophobicContact CG-CZ 4.49Å; K363-F367 HydrophobicContact CD-CE2 4.42Å; K363-F367 HydrophobicContact CG-CD2 4.02Å; K363-F367 HydrophobicContact CG-CE2 3.81Å; K363-F367 WeakPolarHBondContact O-CD2 3.42Å; K363-F367 PolarHBondContact O-N 2.74Å; Q364-F367 WeakPolarHBondContact O-CB 3.42Å; Q364-F367 PolarHBondContact O-N 3.12Å; R365-F367 VanDerWaalsContact C-N 3.32Å; R365-F367 PolarHBondContact O-N 2.84Å; F367-R371 VanDerWaalsContact O-CG 3.26Å; F367-R371 WeakPolarHBondContact O-CG 3.43Å; F367-R371 PolarHBondContact O-N 3.46Å; F367-R371 VanDerWaalsContact O-N 3.1Å
368E97.7Very high88.5Confident106 Ų10666.9 Ų66.950%0.49534%0.344SS..Hα-helixtrans-63.2-45.7173.1-71.1169.5-178.600111.5Q364 R365 L366 R371Q364-E368 WeakPolarHBondContact O-CG 3.37Å; Q364-E368 PolarHBondContact O-N 3.46Å; R365-E368 WeakPolarHBondContact O-CB 3.44Å; R365-E368 PolarHBondContact O-N 2.77Å; L366-E368 VanDerWaalsContact C-N 3.32Å; L366-E368 PolarHBondContact O-N 3.14Å; E368-R371 PolarHBondContact O-N 3.38Å
369N97.6Very high86.3Confident39 Ų3970.5 Ų70.521%0.20937%0.371CS..Hα-helixtrans-60.2-46.7175.3-69.8-16.8000111.5Y221 R365 L366 R371 M372Y221-N369 HydrophobicContact CD1-CB 4.09Å; R365-N369 PolarHBondContact O-N 2.84Å; L366-N369 PolarHBondContact O-N 3.04Å; N369-R371 VanDerWaalsContact C-N 3.27Å; N369-R371 PolarHBondContact O-N 3.13Å; N369-M372 VanDerWaalsContact O-CB 3.27Å; N369-M372 WeakPolarHBondContact O-CB 3.47Å; N369-M372 PolarHBondContact O-N 2.78Å
370L96.6Very high84.1Confident1 Ų176.1 Ų76.11%0.00540%0.397CS..Hα-helixtrans-64.7-29.2-179-72.7170.4000113M194 V224 K247 V248 M251 L366 M372 L373M194-L370 HydrophobicContact CE-CD2 4.24Å; M194-L370 HydrophobicContact SD-CD2 4.48Å; V224-L370 HydrophobicContact CG2-CD2 4.06Å; K247-L370 HydrophobicContact CB-CD1 3.98Å; K247-L370 HydrophobicContact CG-CB 4.1Å; K247-L370 HydrophobicContact CG-CD1 3.78Å; V248-L370 HydrophobicContact CG2-CD1 3.94Å; V248-L370 HydrophobicContact CG2-CD2 3.96Å; M251-L370 WeakPolarHBondContact CE-O 3.22Å; M251-L370 HydrophobicContact CG-CB 4.49Å; L366-L370 WeakPolarHBondContact O-CB 3.07Å; L366-L370 VanDerWaalsContact O-CG 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.46Å; L366-L370 PolarHBondContact O-N 2.82Å; L370-M372 PolarHBondContact O-N 3.27Å; L370-L373 PolarHBondContact O-N 3.29Å
371R95Very high81.7Confident151 Ų15181.2 Ų81.257%0.5742%0.423SS*.THydrogen-bonded Turntrans-66.4-18.1174.1-75.8168.9-174.2153.62.6113.4F367 E368 N369 L373F367-R371 VanDerWaalsContact O-CG 3.26Å; F367-R371 WeakPolarHBondContact O-CG 3.43Å; F367-R371 PolarHBondContact O-N 3.46Å; F367-R371 VanDerWaalsContact O-N 3.1Å; E368-R371 PolarHBondContact O-N 3.38Å; N369-R371 VanDerWaalsContact C-N 3.27Å; N369-R371 PolarHBondContact O-N 3.13Å; R371-L373 PolarHBondContact O-N 2.81Å
372M94.1Very high79.7Confident113 Ų11380.9 Ų80.956%0.55742%0.424SS*.THydrogen-bonded Turntrans-76.2-12.9178.6-59.6-58.7-62.100112.8Y221 N369 L370Y221-M372 HydrophobicContact CD1-CB 4.1Å; Y221-M372 HydrophobicContact CD1-CG 4.27Å; Y221-M372 HydrophobicContact CD2-CB 3.72Å; Y221-M372 HydrophobicContact CD2-CG 4.47Å; Y221-M372 HydrophobicContact CE1-CB 4.13Å; Y221-M372 HydrophobicContact CE1-CG 3.89Å; Y221-M372 HydrophobicContact CE2-CB 3.77Å; Y221-M372 HydrophobicContact CE2-CE 4.48Å; Y221-M372 HydrophobicContact CE2-CG 4.13Å; Y221-M372 HydrophobicContact CG-CB 3.89Å; N369-M372 VanDerWaalsContact O-CB 3.27Å; N369-M372 WeakPolarHBondContact O-CB 3.47Å; N369-M372 PolarHBondContact O-N 2.78Å; L370-M372 PolarHBondContact O-N 3.27Å
373L90.8Very high77.7Confident7 Ų785.1 Ų85.14%0.03746%0.46CS..SBendtrans-69.4140.4176.9-86.775.9000111.5M194 Y221 Y222 M251 Y252 L370 R371 H375M194-L373 HydrophobicContact CE-CD1 4.35Å; M194-L373 HydrophobicContact CE-CD2 3.44Å; M194-L373 VanDerWaalsContact CE-CD2 3.44Å; Y221-L373 WeakPolarHBondContact O-CD1 3.29Å; Y222-L373 HydrophobicContact CD1-CD2 4.39Å; Y222-L373 HydrophobicContact CE1-CD2 3.9Å; Y222-L373 HydrophobicContact CE1-CG 4.41Å; M251-L373 HydrophobicContact CB-CB 4.44Å; M251-L373 HydrophobicContact CB-CD2 4.44Å; M251-L373 HydrophobicContact CE-CB 4.16Å; Y252-L373 HydrophobicContact CD2-CD2 4.21Å; L370-L373 PolarHBondContact O-N 3.29Å; R371-L373 PolarHBondContact O-N 2.81Å; L373-H375 PolarHBondContact O-N 3.45Å
374P82.4Confident76.2Confident70 Ų7088.2 Ų88.246%0.45548%0.477SS..  trans-67.2128.4169.328.8-32.2000109.3A376 P377P374-A376 PolarHBondContact O-N 3.11Å; P374-P377 HydrophobicContact CG-CB 4.47Å
375H64.4Low75Confident120 Ų12086.5 Ų86.556%0.55648%0.475SS*.SBendtrans-67.5-9.1-177.9-66.669.1000113.4Q253 L373Q253-H375 PolarHBondContact NE2-O 2.86Å; L373-H375 PolarHBondContact O-N 3.45Å
376A52.6Low74Confident86 Ų8689.6 Ų89.671%0.71150%0.495SS*.SBendtrans-157.591178.900000112P374P374-A376 PolarHBondContact O-N 3.11Å
377P54.1Low72.8Confident55 Ų5591.6 Ų91.636%0.35751%0.506SS..PPolyproline II helixtrans-82.3150.8171.530.2-30000112P374P374-P377 HydrophobicContact CG-CB 4.47Å
378G50.3Low71.6Confident72 Ų7289.4 Ų89.474%0.74250%0.497SS*.PPolyproline II helixtrans-67.6146.9-178.200000113.7
379V52.2Low70.3Confident127 Ų12787.7 Ų87.777%0.7750%0.495SS*.PPolyproline II helixtrans-77.5120.6176.3-178.10000109
380Q53.2Low68.4Low122 Ų12287.3 Ų87.357%0.5749%0.492SS*.PPolyproline II helixtrans-98.5117.3175-168.9174.4-500109.3Q168 Q382Q168-Q380 PolarHBondContact OE1-O 3.45Å; Q380-Q382 PolarHBondContact O-N 2.79Å
381M46.1Very low66.4Low184 Ų18488.5 Ų88.591%0.90650%0.499SS*.PPolyproline II helixtrans-72.4120.8175.2-65.7-87.2-78.300109.4
382Q56.9Low64.4Low120 Ų12084.4 Ų84.456%0.56149%0.489SS*.  trans-122.4145.6171.3-74.1-175.8-19.600109.8R192 Q380R192-Q382 VanDerWaalsContact NH1-OE1 3.08Å; Q380-Q382 PolarHBondContact O-N 2.79Å
383A56.6Low62.2Low97 Ų9783.6 Ų83.680%0.80249%0.494SS*.PPolyproline II helixtrans-69.1130.4170.200000109.1P385A383-P385 VanDerWaalsContact O-CD 3.29Å; A383-P385 WeakPolarHBondContact O-CD 3.42Å
384I66.9Low60Low97 Ų9785.8 Ų85.850%0.49752%0.519SS..PPolyproline II helixtrans-75.3117.2-177.1-55.1176.2000108.4K165 Y166K165-I384 HydrophobicContact CB-CG2 4.21Å; Y166-I384 HydrophobicContact CD1-CD1 4.25Å; Y166-I384 HydrophobicContact CE1-CD1 4.06Å; Y166-I384 HydrophobicContact CE1-CG2 4.17Å; Y166-I384 HydrophobicContact CE2-CG2 4.06Å
385P73.4Confident58.3Low78 Ų7885.2 Ų85.251%0.50651%0.512SS..PPolyproline II helixtrans-67159.5172.4-16.231.1000111.7A383 D387A383-P385 VanDerWaalsContact O-CD 3.29Å; A383-P385 WeakPolarHBondContact O-CD 3.42Å; P385-D387 PolarHBondContact O-N 3.06Å
386E76.4Confident57.4Low184 Ų18487.4 Ų87.486%0.8652%0.523SS*.PPolyproline II helixtrans-57135.2177.7-68.8-176.7171.900112.6K165K165-E386 PolarHBondContact NZ-O 2.9Å
387D72.6Confident57.2Low45 Ų4591.4 Ų91.424%0.24153%0.532CS..PPolyproline II helixtrans-58152.3176.9-71.2-6000112.1K126 E162 K165 Y166 P385K126-D387 WeakPolarHBondContact CE-OD2 3.29Å; K126-D387 IonicContact NZ-OD2 3.91Å; E162-D387 WeakPolarHBondContact OE1-CA 3.23Å; K165-D387 VanDerWaalsContact NZ-CA 3.34Å; Y166-D387 VanDerWaalsContact CE2-OD1 3.23Å; Y166-D387 WeakPolarHBondContact CE2-OD1 3.42Å; Y166-D387 PolarHBondContact OH-OD1 3.09Å; Y166-D387 PolarHBondContact OH-OD2 2.93Å; P385-D387 PolarHBondContact O-N 3.06Å
388A74.4Confident57.1Low3 Ų396.9 Ų96.93%0.02555%0.553CS.*PPolyproline II helixtrans-61.6152.4166.200000111V118 V122 E162 H390V118-A388 HydrophobicContact CG1-CB 3.46Å; V118-A388 VanDerWaalsContact CG1-CB 3.46Å; V122-A388 HydrophobicContact CG2-CB 3.84Å; E162-A388 PolarHBondContact OE1-N 3.49Å; E162-A388 VanDerWaalsContact OE1-N 3.09Å; A388-H390 PolarHBondContact O-N 2.95Å
389P70.5Confident57.4Low70 Ų7098 Ų9846%0.45554%0.538SS..PPolyproline II helixtrans-52.6140.4-176.718.2-30.8000112.2
390H56.6Low57.7Low32 Ų3295.8 Ų95.815%0.14852%0.522CS..PPolyproline II helixtrans-89.7135.5-174.1-168.5-92.6000110.4K126 A388 D392 S393K126-H390 PolarHBondContact NZ-CD2 3.29Å; K126-H390 VanDerWaalsContact NZ-CD2 3.34Å; A388-H390 PolarHBondContact O-N 2.95Å; H390-D392 VanDerWaalsContact C-N 3.25Å; H390-D392 IonicContact CE1-OD2 2.66Å; H390-D392 PolarHBondContact CE1-OD2 3.48Å; H390-D392 WeakPolarHBondContact ND1-CB 3.33Å; H390-D392 PolarHBondContact ND1-N 3.1Å; H390-D392 PolarHBondContact O-N 3Å; H390-S393 PolarHBondContact O-N 3.2Å; H390-S393 VanDerWaalsContact O-N 3.11Å; H390-S393 PolarHBondContact O-OG 3.2Å
391P55.2Low58Low25 Ų2595.9 Ų95.916%0.16253%0.534CS..G310 helixtrans-62.6-29.6-179.821.8-31.3000113.4
392D53.1Low58.8Low65 Ų6594.3 Ų94.335%0.34853%0.529SS..G310 helixtrans-83-3.2176.8-63.9-43.4000114.3K123 H390 K412K123-D392 IonicContact NZ-OD2 3.17Å; H390-D392 VanDerWaalsContact C-N 3.25Å; H390-D392 IonicContact CE1-OD2 2.66Å; H390-D392 PolarHBondContact CE1-OD2 3.48Å; H390-D392 WeakPolarHBondContact ND1-CB 3.33Å; H390-D392 PolarHBondContact ND1-N 3.1Å; H390-D392 PolarHBondContact O-N 3Å; D392-K412 VanDerWaalsContact CG-NZ 3.31Å; D392-K412 IonicContact OD1-NZ 3.88Å; D392-K412 PolarHBondContact OD1-NZ 2.94Å; D392-K412 IonicContact OD2-NZ 3.91Å; D392-K412 PolarHBondContact OD2-NZ 3.44Å; D392-K412 VanDerWaalsContact OD2-NZ 3.09Å
393S47.2Very low59Low96 Ų9695.2 Ų95.267%0.67153%0.531SS*.G310 helixtrans-92.94.9-174.262.60000115.3H390H390-S393 PolarHBondContact O-N 3.2Å; H390-S393 VanDerWaalsContact O-N 3.11Å; H390-S393 PolarHBondContact O-OG 3.2Å
394G45.3Very low58.9Low54 Ų54101.8 Ų101.856%0.55754%0.535SS*.SBendtrans-113.3-28.9-164.600000118.6
395D45.4Very low58.6Low58 Ų58101.7 Ų101.731%0.3154%0.539SS..  trans-142.620.8-154.3-68.7-25.2000115.4R408D395-R408 IonicContact OD2-CZ 3.99Å; D395-R408 IonicContact OD2-NH1 3.39Å; D395-R408 PolarHBondContact OD2-NH1 3.4Å; D395-R408 IonicContact OD2-NH2 3.59Å; D395-R408 PolarHBondContact OD2-NH2 3.28Å
396E47.2Very low58.2Low166 Ų16698.8 Ų98.878%0.77652%0.521SS*.SBendtrans-72.4-22.6171.7-70.7-172.7178.100112
397D47.5Very low57.6Low169 Ų16996.4 Ų96.490%0.90451%0.512SS*.THydrogen-bonded Turntrans-92.7-3.4-176.3-68.2-34.3000114.2
398E51.7Low57.1Low171 Ų171100 Ų10080%0.79952%0.523SS*.THydrogen-bonded Turntrans-109.815.3177.1-70.2-164.2175.100113.4
399E56.5Low56.6Low94 Ų94102.2 Ų102.244%0.43954%0.541SS..  trans-80.9134177.1-62.5-160.615600112.1P401 S406E399-P401 WeakPolarHBondContact O-CD 3.47Å; E399-S406 WeakPolarHBondContact OE1-CB 3.31Å; E399-S406 PolarHBondContact OE1-OG 3.3Å
400D58.3Low55.9Low81 Ų81103.7 Ų103.743%0.43354%0.541SS..  trans-63.1117.1175.7-179.2-4.5000110.1D402 K403D400-D402 PolarHBondContact O-N 3.23Å; D400-D402 PolarHBondContact OD1-N 3.07Å; D400-D402 VanDerWaalsContact OD1-N 3.13Å; D400-K403 HydrophobicContact CB-CD 4.5Å; D400-K403 HydrophobicContact CB-CG 4.46Å; D400-K403 PolarHBondContact O-N 3.39Å
401P60.5Low56.6Low125 Ų125105 Ų10581%0.81255%0.549SS*.THydrogen-bonded Turntrans-63.1-12.8-175.725.6-34.4000113.9E399E399-P401 WeakPolarHBondContact O-CD 3.47Å
402D63.6Low57.3Low150 Ų150107.7 Ų107.780%0.80256%0.558SS**THydrogen-bonded Turntrans-85.9-7.7177.1-73.6-19000113.6D400D400-D402 PolarHBondContact O-N 3.23Å; D400-D402 PolarHBondContact OD1-N 3.07Å; D400-D402 VanDerWaalsContact OD1-N 3.13Å
403K59.3Low58.2Low139 Ų139111.5 Ų111.560%0.60457%0.568SS**  trans-96111.3174.4-69.2-177.3-174.2172.30110.6D400 V405D400-K403 HydrophobicContact CB-CD 4.5Å; D400-K403 HydrophobicContact CB-CG 4.46Å; D400-K403 PolarHBondContact O-N 3.39Å; K403-V405 PolarHBondContact O-N 2.61Å
404R56.3Low59.5Low236 Ų236110.4 Ų110.489%0.89155%0.554SS**SBendtrans-61-28.1-176.6-175.5177.2-93.9-165.6-6.7113.9
405V59.4Low60.7Low94 Ų94110.3 Ų110.357%0.5755%0.548SS*.SBendtrans-149.1129.2173.5-175.10000107.9K403 A409 H410K403-V405 PolarHBondContact O-N 2.61Å; V405-A409 HydrophobicContact CG1-CB 3.75Å; V405-H410 HydrophobicContact CG1-CB 4.49Å
406S65.4Low61.9Low18 Ų18110.8 Ų110.813%0.12656%0.555CS.*  trans-74.5152.7176.274.20000111.4E399 R408 A409 H410E399-S406 WeakPolarHBondContact OE1-CB 3.31Å; E399-S406 PolarHBondContact OE1-OG 3.3Å; S406-R408 PolarHBondContact O-N 3.22Å; S406-R408 VanDerWaalsContact O-N 3.16Å; S406-A409 PolarHBondContact O-N 2.9Å; S406-A409 PolarHBondContact OG-N 3.49Å; S406-H410 PolarHBondContact O-N 3.03Å
407I64Low62.3Low133 Ų133109.8 Ų109.868%0.68255%0.55SS**Hα-helixtrans-53.7-37.8175.7-68.8159.4000110.2A409 H410 D411I407-A409 PolarHBondContact O-N 3.2Å; I407-H410 PolarHBondContact O-N 2.62Å; I407-D411 WeakPolarHBondContact O-CB 3.26Å; I407-D411 VanDerWaalsContact O-CG 3.26Å; I407-D411 PolarHBondContact O-N 3.34Å
408R62.7Low62.8Low122 Ų122109.6 Ų109.646%0.4654%0.544SS..Hα-helixtrans-62.4-42.6176.5-66.3-178178.6-173.63.8112.6D395 S406 K412D395-R408 IonicContact OD2-CZ 3.99Å; D395-R408 IonicContact OD2-NH1 3.39Å; D395-R408 PolarHBondContact OD2-NH1 3.4Å; D395-R408 IonicContact OD2-NH2 3.59Å; D395-R408 PolarHBondContact OD2-NH2 3.28Å; S406-R408 PolarHBondContact O-N 3.22Å; S406-R408 VanDerWaalsContact O-N 3.16Å; R408-K412 PolarHBondContact O-N 3.03Å
409A62.3Low62.9Low49 Ų49107.7 Ų107.741%0.40554%0.535SS..Hα-helixtrans-67.7-36.5177.600000112.1V405 S406 I407V405-A409 HydrophobicContact CG1-CB 3.75Å; S406-A409 PolarHBondContact O-N 2.9Å; S406-A409 PolarHBondContact OG-N 3.49Å; I407-A409 PolarHBondContact O-N 3.2Å
410H56.9Low62.4Low101 Ų101113 Ų11347%0.46856%0.557SS.*Hα-helixtrans-65.2-48174.1179.2-86.1000111.8V405 S406 I407 K412 R413V405-H410 HydrophobicContact CG1-CB 4.49Å; S406-H410 PolarHBondContact O-N 3.03Å; I407-H410 PolarHBondContact O-N 2.62Å; H410-K412 PolarHBondContact O-N 3.15Å; H410-R413 WeakPolarHBondContact O-CB 3.38Å; H410-R413 PolarHBondContact O-N 2.71Å; H410-R413 VanDerWaalsContact O-N 3.08Å
411D71.1Confident61.9Low59 Ų59112.7 Ų112.732%0.31656%0.561SS.*Hα-helixtrans-65.6-22.1-178.3-72.4-9000113.7I53 I407I53-D411 HydrophobicContact CB-CB 4.13Å; I53-D411 HydrophobicContact CG2-CB 4.39Å; I53-D411 PolarHBondContact N-O 3.36Å; I53-D411 VanDerWaalsContact N-O 3.12Å; I407-D411 WeakPolarHBondContact O-CB 3.26Å; I407-D411 VanDerWaalsContact O-CG 3.26Å; I407-D411 PolarHBondContact O-N 3.34Å
412K69.7Low61.4Low82 Ų82112.6 Ų112.636%0.35755%0.554SS.*THydrogen-bonded Turntrans-80.6-16.4175.7-162.9170.5-172.1167.20113.1D392 R408 H410 I414D392-K412 VanDerWaalsContact CG-NZ 3.31Å; D392-K412 IonicContact OD1-NZ 3.88Å; D392-K412 PolarHBondContact OD1-NZ 2.94Å; D392-K412 IonicContact OD2-NZ 3.91Å; D392-K412 PolarHBondContact OD2-NZ 3.44Å; D392-K412 VanDerWaalsContact OD2-NZ 3.09Å; R408-K412 PolarHBondContact O-N 3.03Å; H410-K412 PolarHBondContact O-N 3.15Å; K412-I414 PolarHBondContact O-N 3.39Å
413R70.8Confident60.7Low144 Ų144109.7 Ų109.754%0.54355%0.545SS..PPolyproline II helixtrans-78.5118.5-175.8-168.7178.6-178.7-170-0.6110.7H410H410-R413 WeakPolarHBondContact O-CB 3.38Å; H410-R413 PolarHBondContact O-N 2.71Å; H410-R413 VanDerWaalsContact O-N 3.08Å
414I75.1Confident60.2Low73 Ų73109.5 Ų109.537%0.37455%0.547SS..PPolyproline II helixtrans-91.5132.7169.8-62.9169.8000108.3R49 E52 K412R49-I414 WeakPolarHBondContact O-CG2 3.38Å; E52-I414 HydrophobicContact CG-CD1 3.5Å; E52-I414 VanDerWaalsContact CG-CD1 3.5Å; E52-I414 HydrophobicContact CG-CG1 4.07Å; K412-I414 PolarHBondContact O-N 3.39Å
415A71.8Confident59.9Low52 Ų52102.9 Ų102.943%0.4353%0.529SS..PPolyproline II helixtrans-70.8134.517700000110.8R49R49-A415 HydrophobicContact CB-CB 4.09Å; R49-A415 PolarHBondContact O-N 2.98Å
416C68.9Low59.4Low68 Ų68105.6 Ų105.646%0.45954%0.535SS..PPolyproline II helixtrans-75.2131.6174-175.50000110E418 E419C416-E418 PolarHBondContact O-N 3.21Å; C416-E419 HydrophobicContact CB-CB 4.37Å; C416-E419 HydrophobicContact CB-CG 3.99Å; C416-E419 PolarHBondContact O-N 3.05Å; C416-E419 VanDerWaalsContact O-N 3.16Å
417E55.9Low58.2Low145 Ų145108.8 Ų108.868%0.67856%0.563SS**THydrogen-bonded Turntrans-63.3-14.9-179.4-63.5-168.1149.500113.5K8K8-E417 IonicContact NZ-OE1 3.9Å; K8-E417 PolarHBondContact NZ-OE1 3.11Å; K8-E417 IonicContact NZ-OE2 3.23Å; K8-E417 PolarHBondContact NZ-OE2 2.96Å
418E58.8Low57.5Low166 Ų166110.9 Ų110.978%0.77657%0.57SS**THydrogen-bonded Turntrans-99.6-2-179.6-60.2-173173.200114.1C416C416-E418 PolarHBondContact O-N 3.21Å
419E54.4Low56.5Low131 Ų131108.2 Ų108.261%0.61258%0.58SS**  trans-90.1112.9177.6-76.1-176.3165.300111.3C416 S421C416-E419 HydrophobicContact CB-CB 4.37Å; C416-E419 HydrophobicContact CB-CG 3.99Å; C416-E419 PolarHBondContact O-N 3.05Å; C416-E419 VanDerWaalsContact O-N 3.16Å; E419-S421 VanDerWaalsContact C-N 3.34Å; E419-S421 PolarHBondContact O-N 3.11Å
420F46.1Very low55.3Low204 Ų204113.2 Ų113.290%0.89560%0.595SS**  trans-91.521.4-179.4-79.6-87.8000114
421S47.9Very low54.5Low75 Ų75113 Ų11352%0.52462%0.619SS.*  trans-111.591-171.9-175.50000112.1E419 S423E419-S421 VanDerWaalsContact C-N 3.34Å; E419-S421 PolarHBondContact O-N 3.11Å; S421-S423 PolarHBondContact O-N 3.13Å; S421-S423 PolarHBondContact OG-OG 3.4Å
422D49.7Very low52.8Low124 Ų124112.6 Ų112.666%0.66363%0.63SS**THydrogen-bonded Turntrans-73.70.1171-72.5-30.6000113.1E424D422-E424 PolarHBondContact O-N 3.3Å
423S48.8Very low51.2Low89 Ų89112.7 Ų112.762%0.62265%0.654SS**THydrogen-bonded Turntrans-81.5-12.2-164.265.60000116.1S421S421-S423 PolarHBondContact O-N 3.13Å; S421-S423 PolarHBondContact OG-OG 3.4Å
424E48.9Very low49.4Very low135 Ų135117.3 Ų117.363%0.63167%0.671SS**THydrogen-bonded Turntrans-89.8-26.2179.8-63.9-169160.600112.4D422D422-E424 PolarHBondContact O-N 3.3Å
425D50.1Low47.4Very low96 Ų96125.8 Ų125.851%0.51370%0.698SS.*THydrogen-bonded Turntrans-87.6-19.4-173.3-63.8-19.5000113.7A427D425-A427 VanDerWaalsContact C-N 3.32Å; D425-A427 PolarHBondContact O-N 3.23Å
426E48.1Very low45.5Very low152 Ų152131 Ų13171%0.7172%0.719SS**THydrogen-bonded Turntrans-78.2-12.5-180-74.4-83.1160.700113.5
427A41.1Very low44Very low84 Ų84132.8 Ų132.869%0.69474%0.739SS**THydrogen-bonded Turntrans-87.2-22.4-172.600000114.4D425D425-A427 VanDerWaalsContact C-N 3.32Å; D425-A427 PolarHBondContact O-N 3.23Å
428E48.7Very low42.8Very low178 Ų178130.2 Ų130.283%0.83274%0.742SS**THydrogen-bonded Turntrans-116.4-3.1-169.3-62.8-167.2168.900114.2
429G41.3Very low41.7Very low65 Ų65129.2 Ų129.267%0.6774%0.742SS**SBendtrans-9415.1-177.300000117.6
430Q37.1Very low40.6Very low155 Ų155131.9 Ų131.972%0.72476%0.755SS**  trans-134.386.1178.9-75.1-175.73100113.9G432Q430-G432 PolarHBondContact O-N 3.43Å
431G40.1Very low39.9Very low95 Ų95131.3 Ų131.398%0.97975%0.752SS**  trans-67.181.9147.600000110
432G35.2Very low39Very low52 Ų52137.8 Ų137.854%0.53677%0.771SS.*  trans-176.186.6-179.700000112Q430 R434Q430-G432 PolarHBondContact O-N 3.43Å; G432-R434 PolarHBondContact O-N 3.3Å
433G36.7Very low38Very low84 Ų84136.7 Ų136.787%0.86678%0.778SS**  trans-58.5123.3-173.800000114.7
434R33.3Very low37Very low240 Ų240142 Ų14291%0.90679%0.79SS**  trans-138.785.2152-79.7-174172.3145.5-1.8110G432 N436G432-R434 PolarHBondContact O-N 3.3Å; R434-N436 PolarHBondContact O-N 3.2Å
435R33.7Very low36Very low251 Ų251147.6 Ų147.695%0.94781%0.806SS**  trans-75.3104.9163.7-75-177.4-177.4163.52108.6A437R435-A437 PolarHBondContact O-N 3.44Å
436N31.2Very low35Very low161 Ų161149.1 Ų149.186%0.86182%0.818SS**  trans-69.5104.3163.3-87-22.9000108.9R434 A438R434-N436 PolarHBondContact O-N 3.2Å; N436-A438 PolarHBondContact O-N 3.36Å
437A37.1Very low34Very low106 Ų106151.9 Ų151.988%0.87683%0.828SS**  trans-81.7100.1168.100000109.3R435R435-A437 PolarHBondContact O-N 3.44Å
438A31.7Very low33.3Very low91 Ų91155.9 Ų155.975%0.75283%0.829SS**  trans-129.592.1167.600000110.2N436N436-A438 PolarHBondContact O-N 3.36Å
439N34.7Very low32.3Very low145 Ų145154.9 Ų154.978%0.77583%0.825SS**  trans20.9112.2140-122.8-14.5000117.7
440H30.6Very low31.6Very low188 Ų188161.5 Ų161.587%0.8784%0.838SS**  trans-141.8100.8146.2-112.7-71.3000110.9K442H440-K442 PolarHBondContact O-N 3.27Å
441K32.8Very low31.1Very low192 Ų192162.6 Ų162.684%0.83584%0.843SS**  trans-50.6129.2158.1-80.1174.5172.3173.60109.1
442K29.3Very low30.5Very low211 Ų211166 Ų16692%0.91783%0.831SS**  trans-117.4127159.3-113179.5-178174.90110.2H440H440-K442 PolarHBondContact O-N 3.27Å
443A28.7Very low30.1Very low100 Ų100171.4 Ų171.483%0.82684%0.842SS**  trans-71.6152.4-172.700000113.1
444K26.9Very low29.6Very low200 Ų200171 Ų17187%0.8784%0.839SS**  trans-41.4137.4169.4-88.3174.2165.9176.10113.3
445R28.6Very low29.4Very low254 Ų254169.1 Ų169.196%0.95884%0.84SS**  trans-123.9120.6150.8-127.1179-179.2-178.70.1109
446V27.3Very low29.1Very low127 Ų127165.7 Ų165.777%0.7784%0.835SS**  trans-76.5139.3179.8172.90000110.1
447K28Very low29.1Very low211 Ų211167.2 Ų167.292%0.91783%0.834SS**  trans-145.4154.4148.5-111.8-174.8179.1-174.40109.3
448K26.6Very low28.6Very low168 Ų168170.4 Ų170.473%0.7383%0.828SS**  trans-107140.2-142.5-165.4-175.2179.3-1700111.2
449E27Very low28.5Very low157 Ų157173.3 Ų173.373%0.73483%0.826SS**  trans35.5127152.3-66.6162.6-176.100121.2
450E27.1Very low28.3Very low203 Ų203171.6 Ų171.695%0.94982%0.821SS**  -147.7132.8125.2-106.3176.3-17200109.2
451E27.1Very low28.2Very low178 Ų178170.1 Ų170.183%0.83281%0.811SS**  trans-79.6150-175.4-63.3173.6138.200112.6
452K27.5Very low28Very low166 Ų166166.5 Ų166.572%0.72280%0.798SS**  173.1131.6110.9-96.6-173.9173.4-164.20114.7
453E26.8Very low28Very low166 Ų166163.8 Ų163.878%0.77679%0.788SS**  trans57.2110.5138.5-65.9167.8-176.400118.5
454G26.4Very low28.2Very low77 Ų77165.2 Ų165.279%0.79478%0.778SS**  116.4142.283.700000106.8
455E28.3Very low28.4Very low200 Ų200161.9 Ų161.994%0.93576%0.763SS**  cis-155159.820.4-84.1-180130.100109.6
456E28Very low28.5Very low178 Ų178156.9 Ų156.983%0.83275%0.751SS**  trans-74.9151.8171-63176.1130.600113.6
457K29.7Very low28.8Very low194 Ų194157.4 Ų157.484%0.84375%0.745SS**  168.6113.8120.1-90167.1-174.5178.70109
458K28.1Very low29.2Very low172 Ų172153.4 Ų153.475%0.74873%0.729SS**  71.2128.676.3-99.2-169.9171.7-163.90115.4
459E29.6Very low29.5Very low153 Ų153153.2 Ų153.272%0.71573%0.729SS**  trans83.6141.1144.2-77.4176.5-159.200118.1
460V28.9Very low29.7Very low109 Ų109154 Ų15466%0.66173%0.734SS**  cis176.7153.9-12.2109.70000107.5
461K28.5Very low30Very low156 Ų156150.8 Ų150.868%0.67872%0.724SS**  trans63.1156.7153.7-79.4174172.1-104.80119.2
462E29.3Very low30.3Very low117 Ų117147.4 Ų147.455%0.54772%0.715SS.*  cis-174.2151.5-11.9-116163.7-172.300104.6
463E30.6Very low30.6Very low154 Ų154144.8 Ų144.872%0.7272%0.718SS**  trans55.3152.2139.1-65.5179.7170.300120.7
464E31.1Very low30.8Very low129 Ų129140.5 Ų140.560%0.60372%0.718SS**  cis-173.8161.1-5.5-118.7-167.7155.700106.3
465K31.1Very low32.3Very low130 Ų130143 Ų14357%0.56572%0.72SS**  trans73117.1142.2-75.7-179.3176.4132.30120.8
466E31.9Very low32.7Very low150 Ų150142.6 Ų142.670%0.70172%0.716SS**  88.614296-77.7176.9172.600109.9
467E33.7Very low33Very low137 Ų137142.1 Ų142.164%0.6471%0.714SS**  cis-171.9166.915.2-128-179170.800109
468E35Very low33.6Very low127 Ų127141.5 Ų141.559%0.59371%0.713SS**  trans74.4142.2139.7-79.9-166.4169.400121.3
469K34Very low34.2Very low165 Ų165141.5 Ų141.572%0.71772%0.72SS**  cis-176.4176.1-4.6-134.6173.8-161.6165.10110.4
470M30.7Very low34.8Very low173 Ų173143 Ų14385%0.85272%0.724SS**  trans91.3100.9161-68.3-177102.300116
471D34.7Very low35.6Very low135 Ų135144 Ų14472%0.72273%0.731SS**  cis77.511442.4-156.218.5000114.1
472T33.3Very low36.7Very low107 Ų107147 Ų14766%0.65676%0.763SS**  161.3130.1106.740.90000115.3
473S32.4Very low37.1Very low111 Ų111148.6 Ų148.678%0.77677%0.773SS**  trans67.7113.9132.9710000123.6
474G32.2Very low37.4Very low76 Ų76148.3 Ų148.378%0.78478%0.776SS**  99.4132.294.600000119.4
475P57.8Low37.7Very low129 Ų129149.3 Ų149.384%0.83879%0.786SS**  trans-101.1159.8-174.439.4-33.5000114.3
476K35.2Very low38.1Very low192 Ų192150.5 Ų150.584%0.83580%0.799SS**  trans-153.9125.5161.3-90.8-167.5177.9-178.30114.8
477E35.8Very low38.5Very low169 Ų169150.5 Ų150.579%0.7981%0.805SS**  trans47.5141.6131.1-75.6175.3151.300125.3
478E42.6Very low38.8Very low180 Ų180151.4 Ų151.484%0.84182%0.816SS**  trans-26151.9161.4-59.9-18014800118.8
479I39.2Very low39.1Very low172 Ų172153.1 Ų153.188%0.88283%0.832SS**  -163.2134.8128.8-92.1147000110.3
480K43.9Very low39.5Very low184 Ų184152.2 Ų152.280%0.884%0.841SS**  trans-62.3147.6168.5-72.5168.5169.2170.60112.7
481T45.7Very low40.2Very low132 Ų132150.5 Ų150.581%0.8184%0.84SS**  154.4119.5117.335.50000111.1
482T50.3Low40.8Very low219 Ų219151.9 Ų151.9100%1.34485%0.85SS**  -1610111.5-13.40000109.6

Retrieved 482 of 482 residues in 810.1 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).