A0A096MU42_PAPAN Loading...

GRB2 associated binding protein 1

AlphaFold DB (A0A2I3M976), UniProt , Accession A0A096MU42, Species PAPAN (Papio anubis, Olive baboon), Gene GAB1, Length 790 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
1M41.7Very low73.5Confident239 Ų23969.4 Ų69.4100%1.17740%0.404SS*.  0109.20-75.915057.800105.5
2S40.9Very low74.8Confident79 Ų7963.6 Ų63.655%0.55237%0.371SS*.  trans-66.8140.5158.9-1630000107T78 D80S2-T78 VanDerWaalsContact OG-CG2 3.25Å; S2-T78 WeakPolarHBondContact OG-CG2 3.42Å; S2-D80 VanDerWaalsContact CB-OD2 3.27Å; S2-D80 WeakPolarHBondContact CB-OD2 3.4Å; S2-D80 PolarHBondContact OG-OD2 2.98Å
3G53.4Low75.7Confident57 Ų5763.6 Ų63.659%0.58836%0.361SS*.  trans-144.598.7176.700000106.8
4G63.2Low76.4Confident6 Ų661.1 Ų61.16%0.06234%0.344CS..  trans-45.8139.4174.800000111.7S74 D80G4-S74 CarbonylContact C-O 3.53Å; G4-S74 WeakPolarHBondContact CA-O 3.47Å; G4-D80 PolarHBondContact N-OD2 3.28Å
5E81.6Confident76.6Confident107 Ų10758 Ų5850%0.533%0.328SS..EExtended strand (participates in β ladder)trans-56.9132.9-170.1-178.7172.1-145.500111.9V7 R73 S74E5-V7 PolarHBondContact O-N 3.24Å; E5-V7 VanDerWaalsContact O-N 3.09Å; E5-R73 CarbonylContact O-C 3.59Å; E5-R73 VanDerWaalsContact O-CA 3.24Å; E5-R73 WeakPolarHBondContact O-CA 3.32Å; E5-S74 PolarHBondContact N-O 2.82Å; E5-S74 PolarHBondContact O-N 3.44Å
6V85.3Confident76.2Confident70 Ų7055.2 Ų55.242%0.42431%0.313SS..EExtended strand (participates in β ladder)trans-81.192.7177.8178.30000109.4V71 L72V6-V71 HydrophobicContact CB-CG1 4.44Å; V6-V71 HydrophobicContact CG1-CG1 3.75Å; V6-V71 HydrophobicContact CG2-CG1 3.81Å; V6-L72 CarbonylContact C-O 3.44Å; V6-L72 WeakPolarHBondContact CA-O 3.49Å
7V85Confident75.4Confident57 Ų5756 Ų5635%0.34532%0.321SS..EExtended strand (participates in β ladder)trans-72.6-36-179.3174.80000112E5 L72 S74 C149 I153E5-V7 PolarHBondContact O-N 3.24Å; E5-V7 VanDerWaalsContact O-N 3.09Å; V7-L72 PolarHBondContact N-O 2.89Å; V7-L72 VanDerWaalsContact N-O 3.07Å; V7-S74 VanDerWaalsContact CG2-CB 3.4Å; V7-C149 HydrophobicContact CG1-CB 4.06Å; V7-I153 HydrophobicContact CB-CD1 4.12Å; V7-I153 HydrophobicContact CG1-CD1 4.3Å; V7-I153 HydrophobicContact CG2-CD1 4.12Å
8C88.4Confident74.2Confident7 Ų756.6 Ų56.65%0.04732%0.32CS..EExtended strand (participates in β ladder)trans-145.8143.6177-162.70000112L72 W146 C149C8-L72 HydrophobicContact CB-CB 4Å; C8-L72 HydrophobicContact CB-CD2 3.78Å; C8-L72 HydrophobicContact CB-CG 4.49Å; C8-L72 WeakPolarHBondContact O-CB 3.41Å; C8-L72 PolarHBondContact O-N 3.05Å; C8-W146 HydrophobicContact CB-CE3 4.3Å; C8-W146 HydrophobicContact CB-CH2 4.37Å; C8-W146 HydrophobicContact CB-CZ3 4.13Å; C8-C149 HydrophobicContact CB-CB 4.2Å
9S90.2Very high72.9Confident56 Ų5662.4 Ų62.439%0.39234%0.341SS..EExtended strand (participates in β ladder)trans-150.8149.3170.161.30000111.1W69 F70S9-W69 WeakPolarHBondContact OG-CZ2 3.44Å; S9-F70 WeakPolarHBondContact CA-O 3.44Å; S9-F70 WeakPolarHBondContact CB-O 3.5Å
10G89.6Confident71.7Confident6 Ų665.3 Ų65.36%0.06235%0.35CS..EExtended strand (participates in β ladder)trans173.5178.1-164.300000114.4W69 F70G10-W69 VanDerWaalsContact C-CZ3 3.49Å; G10-W69 WeakPolarHBondContact O-CA 3.3Å; G10-F70 PolarHBondContact N-O 2.9Å; G10-F70 PolarHBondContact O-N 2.88Å
11W89.4Confident70.5Confident79 Ų7964.1 Ų64.130%0.29934%0.344SS..  trans-108.955.6-165-90.7114.2000114.5R67 R68 W69W11-R67 HydrophobicContact CB-CG 4.34Å; W11-R67 HydrophobicContact CE3-CB 4.37Å; W11-R67 HydrophobicContact CE3-CG 3.93Å; W11-R67 WeakPolarHBondContact O-CG 3.48Å; W11-R67 PolarHBondContact O-NE 2.82Å; W11-R68 CarbonylContact C-O 3.59Å; W11-R68 WeakPolarHBondContact CA-O 3.17Å; W11-W69 HydrophobicContact CB-CE3 4.5Å; W11-W69 AromaticContact CD1-CE3 3.47Å; W11-W69 VanDerWaalsContact CD1-CE3 3.47Å; W11-W69 AromaticContact CD1-CZ3 3.42Å; W11-W69 VanDerWaalsContact CD1-CZ3 3.42Å; W11-W69 AromaticContact CD2-CE3 3.89Å; W11-W69 HydrophobicContact CD2-CE3 3.89Å; W11-W69 AromaticContact CE2-CE3 3.79Å; W11-W69 HydrophobicContact CE3-CB 4.49Å; W11-W69 AromaticContact CG-CE3 3.71Å; W11-W69 HydrophobicContact CG-CE3 3.71Å; W11-W69 HydrophobicContact CG-CZ3 4.01Å; W11-W69 HydrophobicContact CH2-CB 4.47Å; W11-W69 HydrophobicContact CZ3-CB 4.43Å; W11-W69 AromaticContact NE1-CE3 3.47Å; W11-W69 AromaticContact NE1-CZ3 3.66Å
12L88.9Confident70.7Confident0 Ų058.8 Ų58.80%031%0.314CS..  trans-67.1141.1-178.3-58.7176.6000114R67 R68 F70 F124 L135 A137 E142 W146L12-R67 WeakPolarHBondContact O-CA 3.44Å; L12-R68 PolarHBondContact N-O 3.36Å; L12-R68 PolarHBondContact O-N 2.92Å; L12-F70 HydrophobicContact CB-CD2 3.68Å; L12-F70 HydrophobicContact CB-CE2 3.79Å; L12-F70 HydrophobicContact CB-CG 4.46Å; L12-F70 HydrophobicContact CD1-CD2 4.3Å; L12-F70 HydrophobicContact CD1-CG 4.29Å; L12-F70 HydrophobicContact CG-CD2 4.32Å; L12-F124 HydrophobicContact CD1-CE1 3.97Å; L12-F124 HydrophobicContact CD1-CZ 3.58Å; L12-F124 HydrophobicContact CD2-CE1 4.13Å; L12-L135 HydrophobicContact CB-CD2 4.18Å; L12-L135 HydrophobicContact CD1-CB 4.31Å; L12-L135 HydrophobicContact CD1-CD2 3.51Å; L12-A137 HydrophobicContact CD2-CB 3.78Å; L12-E142 HydrophobicContact CD2-CG 4.26Å; L12-W146 HydrophobicContact CD1-CD2 3.76Å; L12-W146 HydrophobicContact CD1-CE3 4.28Å; L12-W146 HydrophobicContact CD1-CG 3.96Å; L12-W146 HydrophobicContact CD1-CZ2 4.16Å; L12-W146 HydrophobicContact CD2-CG 4.38Å; L12-W146 HydrophobicContact CG-CD2 4.44Å; L12-W146 HydrophobicContact CG-CZ2 4.3Å
13R87Confident70.9Confident64 Ų6463.5 Ų63.524%0.24232%0.32CS..EExtended strand (participates in β ladder)trans-88107.6170.9-60.9164.462.5-165.4-1.6107.8W65 R67 L135 V136 D138R13-W65 VanDerWaalsContact O-CE3 3.25Å; R13-R67 HydrophobicContact CG-CB 4.2Å; R13-R67 HydrophobicContact CG-CG 3.86Å; R13-L135 CarbonylContact O-C 3.57Å; R13-V136 HydrophobicContact CB-CB 4.2Å; R13-V136 PolarHBondContact N-O 3.09Å; R13-V136 PolarHBondContact O-N 2.78Å; R13-D138 WeakPolarHBondContact CD-OD1 3.39Å
14K85.7Confident70.3Confident28 Ų2863.8 Ų63.812%0.12230%0.304CS..EExtended strand (participates in β ladder)trans-97150.9176.479.2155.4-174.3-63.10114.1W65 K66 F70 Y86 L135K14-W65 CarbonylContact O-C 3.39Å; K14-W65 VanDerWaalsContact O-CA 3.29Å; K14-W65 WeakPolarHBondContact O-CA 3.48Å; K14-K66 PolarHBondContact N-O 3.34Å; K14-K66 VanDerWaalsContact N-O 3.09Å; K14-K66 PolarHBondContact O-N 3.15Å; K14-F70 HydrophobicContact CB-CE2 4.29Å; K14-F70 HydrophobicContact CB-CZ 3.96Å; K14-F70 HydrophobicContact CD-CZ 4.1Å; K14-F70 HydrophobicContact CG-CZ 4.22Å; K14-Y86 HydrophobicContact CD-CE1 4.41Å; K14-Y86 HydrophobicContact CD-CE2 4.47Å; K14-Y86 VanDerWaalsContact NZ-CD2 3.31Å; K14-L135 HydrophobicContact CB-CG 4.42Å
15S78.4Confident69.3Low15 Ų1565.4 Ų65.411%0.10532%0.32CS..PPolyproline II helixtrans-72.4163.8-177.8640000113.3W65 Y134S15-W65 VanDerWaalsContact CA-CE3 3.43Å; S15-Y134 PolarHBondContact N-O 3.2Å; S15-Y134 WeakPolarHBondContact OG-CB 3.25Å; S15-Y134 PolarHBondContact OG-O 2.92Å
16P70.1Confident67.2Low13 Ų1368.1 Ų68.18%0.08433%0.331CS..PPolyproline II helixtrans-64141.4163.6-16.730000110.6E18 K20 L21 A64P16-E18 PolarHBondContact O-N 3.34Å; P16-K20 HydrophobicContact CB-CB 4.18Å; P16-K20 HydrophobicContact CB-CD 4.48Å; P16-L21 HydrophobicContact CB-CD1 3.96Å; P16-L21 HydrophobicContact CG-CD1 4Å; P16-A64 HydrophobicContact CG-CB 3.45Å; P16-A64 VanDerWaalsContact CG-CB 3.45Å
17P63.2Low65.1Low69 Ų6972.7 Ų72.745%0.44834%0.34SS..PPolyproline II helixtrans-58.9138.9177.125.6-35.1000111.1K19 K20P17-K19 PolarHBondContact O-N 2.9Å; P17-K20 WeakPolarHBondContact O-CB 3.38Å; P17-K20 PolarHBondContact O-N 3.18Å
18E54Low62.9Low66 Ų6672.7 Ų72.731%0.30834%0.338SS..Hα-helixtrans-41.9-38.2-170.1-71.5-153.8106.900116.2P16 K20 L21 K22P16-E18 PolarHBondContact O-N 3.34Å; E18-K20 CarbonylContact O-C 3.6Å; E18-K20 PolarHBondContact O-N 2.84Å; E18-L21 PolarHBondContact O-N 2.7Å; E18-K22 PolarHBondContact O-N 3.43Å; E18-K22 WeakPolarHBondContact OE1-CE 3.25Å; E18-K22 IonicContact OE1-NZ 2.7Å; E18-K22 PolarHBondContact OE1-NZ 3.2Å; E18-K22 IonicContact OE2-NZ 2.7Å; E18-K22 PolarHBondContact OE2-NZ 2.98Å
19K49.7Very low60.6Low168 Ų16882.5 Ų82.573%0.7337%0.374SS*.Hα-helixtrans-58-10.4178.4-61-173.8179.3-176.70112.8P17P17-K19 PolarHBondContact O-N 2.9Å
20K48.2Very low58Low119 Ų11989.3 Ų89.352%0.51739%0.391SS..Hα-helixtrans-95.1-50.9164.2-64-168.2175.8-171.90112.8P16 P17 E18 K22 R23 Y24P16-K20 HydrophobicContact CB-CB 4.18Å; P16-K20 HydrophobicContact CB-CD 4.48Å; P17-K20 WeakPolarHBondContact O-CB 3.38Å; P17-K20 PolarHBondContact O-N 3.18Å; E18-K20 CarbonylContact O-C 3.6Å; E18-K20 PolarHBondContact O-N 2.84Å; K20-K22 VanDerWaalsContact C-N 3.29Å; K20-K22 PolarHBondContact O-N 3.07Å; K20-R23 WeakPolarHBondContact O-CA 3.4Å; K20-R23 VanDerWaalsContact O-CB 3.3Å; K20-R23 WeakPolarHBondContact O-CB 3.37Å; K20-R23 PolarHBondContact O-N 2.92Å; K20-Y24 HydrophobicContact CB-CE2 4.34Å; K20-Y24 WeakPolarHBondContact O-CD2 3.41Å; K20-Y24 PolarHBondContact O-N 2.98Å
21L47.9Very low55.8Low42 Ų4291.8 Ų91.822%0.2241%0.411CS..Hα-helixtrans-50.4-46.4176.4-99.765.4000112.6P16 E18 R23 Y24 G25P16-L21 HydrophobicContact CB-CD1 3.96Å; P16-L21 HydrophobicContact CG-CD1 4Å; E18-L21 PolarHBondContact O-N 2.7Å; L21-R23 PolarHBondContact O-N 2.81Å; L21-Y24 PolarHBondContact O-N 2.8Å; L21-G25 PolarHBondContact O-N 2.76Å
22K45.7Very low53.4Low127 Ų12792.1 Ų92.155%0.55243%0.426SS*.Hα-helixtrans-62.8-13.7177.8-70.3170.6178.8164.90113.4E18 K20E18-K22 PolarHBondContact O-N 3.43Å; E18-K22 WeakPolarHBondContact OE1-CE 3.25Å; E18-K22 IonicContact OE1-NZ 2.7Å; E18-K22 PolarHBondContact OE1-NZ 3.2Å; E18-K22 IonicContact OE2-NZ 2.7Å; E18-K22 PolarHBondContact OE2-NZ 2.98Å; K20-K22 VanDerWaalsContact C-N 3.29Å; K20-K22 PolarHBondContact O-N 3.07Å
23R43.8Very low51.2Low178 Ų17897.5 Ų97.567%0.67246%0.458SS*.Hα-helixtrans-85.8-33.5167.3-57.9-173.3-172.6-157.7-1.4113.4K20 L21 R27K20-R23 WeakPolarHBondContact O-CA 3.4Å; K20-R23 VanDerWaalsContact O-CB 3.3Å; K20-R23 WeakPolarHBondContact O-CB 3.37Å; K20-R23 PolarHBondContact O-N 2.92Å; L21-R23 PolarHBondContact O-N 2.81Å; R23-R27 WeakPolarHBondContact O-CG 3.39Å; R23-R27 PolarHBondContact O-N 2.77Å
24Y41.6Very low48.9Very low62 Ų6299.4 Ų99.424%0.24348%0.477CS..Hα-helixtrans-70.1-46.8176.1-66.4-84.2000110.3K20 L21 K26 R27 N28 L60K20-Y24 HydrophobicContact CB-CE2 4.34Å; K20-Y24 WeakPolarHBondContact O-CD2 3.41Å; K20-Y24 PolarHBondContact O-N 2.98Å; L21-Y24 PolarHBondContact O-N 2.8Å; Y24-K26 VanDerWaalsContact C-N 3.35Å; Y24-K26 PolarHBondContact O-N 2.83Å; Y24-R27 WeakPolarHBondContact O-CB 3.4Å; Y24-R27 PolarHBondContact O-N 3.18Å; Y24-N28 PolarHBondContact O-N 2.8Å; Y24-N28 VanDerWaalsContact O-N 3.1Å; Y24-L60 HydrophobicContact CE1-CB 4.5Å
25G41.4Very low46.8Very low40 Ų40106.8 Ų106.841%0.41251%0.511SS..Hα-helixtrans-57.9-41.2173.800000113.8L21 R27 N28 R29L21-G25 PolarHBondContact O-N 2.76Å; G25-R27 VanDerWaalsContact C-N 3.3Å; G25-R27 PolarHBondContact O-N 3.44Å; G25-N28 PolarHBondContact O-N 2.89Å; G25-R29 PolarHBondContact O-N 2.81Å
26K37.7Very low44.7Very low165 Ų165113.2 Ų113.272%0.71755%0.545SS*.Hα-helixtrans-71.4-15.6174.7-82.7-168.5173.7-175.90114.8Y24Y24-K26 VanDerWaalsContact C-N 3.35Å; Y24-K26 PolarHBondContact O-N 2.83Å
27R41.7Very low43.4Very low165 Ų165119.9 Ų119.962%0.62358%0.579SS**Hα-helixtrans-79-42.3166.9-74.6176-175.1170.8-0.9111.2R23 Y24 G25 R29 R30 A31R23-R27 WeakPolarHBondContact O-CG 3.39Å; R23-R27 PolarHBondContact O-N 2.77Å; Y24-R27 WeakPolarHBondContact O-CB 3.4Å; Y24-R27 PolarHBondContact O-N 3.18Å; G25-R27 VanDerWaalsContact C-N 3.3Å; G25-R27 PolarHBondContact O-N 3.44Å; R27-R29 PolarHBondContact O-N 3.49Å; R27-R30 WeakPolarHBondContact O-CA 3.5Å; R27-R30 PolarHBondContact O-N 3.01Å; R27-A31 PolarHBondContact O-N 3.02Å
28N39.5Very low41.9Very low57 Ų57121.9 Ų121.931%0.30559%0.593SS.*Hα-helixtrans-63.3-41.8-176.1-133.60.8000111.7Y24 G25 R30 A31 S32 G53 S57Y24-N28 PolarHBondContact O-N 2.8Å; Y24-N28 VanDerWaalsContact O-N 3.1Å; G25-N28 PolarHBondContact O-N 2.89Å; N28-R30 PolarHBondContact O-N 3.22Å; N28-R30 VanDerWaalsContact O-N 3.09Å; N28-A31 PolarHBondContact O-N 3.45Å; N28-S32 PolarHBondContact O-N 2.98Å; N28-S32 PolarHBondContact O-OG 3.41Å; N28-G53 PolarHBondContact ND2-O 2.83Å; N28-G53 VanDerWaalsContact ND2-O 3.13Å; N28-G53 PolarHBondContact OD1-O 3.5Å; N28-S57 WeakPolarHBondContact ND2-CB 3.24Å
29R39.4Very low40.8Very low214 Ų214128.5 Ų128.581%0.80862%0.617SS**Hα-helixtrans-65-5.8171.1-70.1-164.8-176.1-171.12.5115.7G25 R27G25-R29 PolarHBondContact O-N 2.81Å; R27-R29 PolarHBondContact O-N 3.49Å
30R36.2Very low40Very low199 Ų199127.4 Ų127.475%0.75162%0.617SS**Hα-helixtrans-105-37.7172.4-76.1-173.4172-169.1-3.8112.1R27 N28 S32 V33R27-R30 WeakPolarHBondContact O-CA 3.5Å; R27-R30 PolarHBondContact O-N 3.01Å; N28-R30 PolarHBondContact O-N 3.22Å; N28-R30 VanDerWaalsContact O-N 3.09Å; R30-S32 PolarHBondContact O-N 3.43Å; R30-V33 PolarHBondContact O-N 2.9Å; R30-V33 VanDerWaalsContact O-N 3.15Å
31A43Very low39.5Very low57 Ų57126.3 Ų126.347%0.47162%0.623SS.*Hα-helixtrans-59.1-35.4174.900000112.1R27 N28 V33R27-A31 PolarHBondContact O-N 3.02Å; N28-A31 PolarHBondContact O-N 3.45Å; A31-V33 PolarHBondContact O-N 2.88Å
32S39.5Very low38.6Very low87 Ų87132.3 Ų132.361%0.60865%0.649SS**THydrogen-bonded Turntrans-70.7-2.3177.561.30000115.6N28 R30N28-S32 PolarHBondContact O-N 2.98Å; N28-S32 PolarHBondContact O-OG 3.41Å; R30-S32 PolarHBondContact O-N 3.43Å
33V42.3Very low38.1Very low113 Ų113134.5 Ų134.569%0.68567%0.665SS**THydrogen-bonded Turntrans-114.3-10-176.4-173.90000112.2R30 A31R30-V33 PolarHBondContact O-N 2.9Å; R30-V33 VanDerWaalsContact O-N 3.15Å; A31-V33 PolarHBondContact O-N 2.88Å
34T39.2Very low37.8Very low104 Ų104130.2 Ų130.264%0.63866%0.662SS**  trans-119.665.1-176.559.50000112.4N36T34-N36 PolarHBondContact O-N 2.7Å
35H40.5Very low37.8Very low182 Ų182136 Ų13684%0.84369%0.692SS**  trans-72.981.6158.4-93.5-104.6000109.4
36N34.7Very low37.4Very low150 Ų150143.8 Ų143.880%0.80271%0.714SS**SBendtrans-151141.5161.9-103.1-42.9000109.1T34 C38T34-N36 PolarHBondContact O-N 2.7Å; N36-C38 PolarHBondContact O-N 2.7Å
37L43.1Very low37.2Very low154 Ų154145.2 Ų145.281%0.80672%0.715SS**  trans-67.9131.9-169.7-70.283.7000111.3Y39L37-Y39 HydrophobicContact CD2-CD2 4.47Å
38C31Very low36.7Very low111 Ų111148.2 Ų148.275%0.7573%0.728SS**  trans-123.386.3158.4-163.10000107.8N36 I40N36-C38 PolarHBondContact O-N 2.7Å; C38-I40 PolarHBondContact O-N 3.08Å
39Y30.6Very low36.5Very low205 Ų205151.2 Ų151.280%0.80474%0.736SS**  trans-73.1105.5177.4-138.9-87.3000108.1L37L37-Y39 HydrophobicContact CD2-CD2 4.47Å
40I33.9Very low36.5Very low144 Ų144150.8 Ų150.874%0.73874%0.74SS**  trans-108.2107.4174.9-59.3-180000107.6C38C38-I40 PolarHBondContact O-N 3.08Å
41P36.7Very low36.6Very low97 Ų97147 Ų14763%0.6373%0.734SS**  trans-74.8150.8-179.430.1-34.2000112.3
42H30.2Very low36.3Very low167 Ų167149.6 Ų149.677%0.77374%0.736SS**  trans54.486.1162.4-82.1-99.2000118.9
43I33.4Very low36.5Very low174 Ų174147.4 Ų147.489%0.89273%0.727SS**  -123114.3129.4-61.1-179000107.4
44S39.3Very low36.7Very low87 Ų87145.1 Ų145.161%0.60872%0.717SS**  trans-68.1150-174.8-60.30000113.3
45H40.4Very low36.6Very low185 Ų185146.4 Ų146.486%0.85671%0.71SS**SBendtrans59.174.2169.6-64.8161.8000117.7
46K33.8Very low36.9Very low203 Ų203140.5 Ų140.588%0.88368%0.684SS**SBend-164.8116.9113.8-102.3146.7-172.1169.10112.2
47R32.2Very low37.5Very low195 Ų195134.2 Ų134.274%0.73665%0.652SS**  trans23.1112.9165.2-62.6-177.7-173.5169.6-0.5116.9Y49R47-Y49 HydrophobicContact CB-CD2 4.01Å; R47-Y49 HydrophobicContact CB-CE2 3.5Å; R47-Y49 VanDerWaalsContact CB-CE2 3.5Å; R47-Y49 VanDerWaalsContact CD-OH 3.27Å; R47-Y49 WeakPolarHBondContact CD-OH 3.19Å; R47-Y49 HydrophobicContact CG-CE2 4.39Å; R47-Y49 PolarHBondContact NH1-OH 3Å; R47-Y49 VanDerWaalsContact O-CD2 3.26Å; R47-Y49 WeakPolarHBondContact O-CD2 3.47Å; R47-Y49 PolarHBondContact O-N 3.02Å
48Y31.5Very low37.7Very low228 Ų228128.7 Ų128.789%0.89462%0.623SS**  trans-54.4125.2161.4-72-89.1000110.4
49Y36.4Very low38.4Very low120 Ų120125.7 Ų125.747%0.47160%0.598SS.*  trans-122.171.6169.7-76.5-74.8000109R47 L51R47-Y49 HydrophobicContact CB-CD2 4.01Å; R47-Y49 HydrophobicContact CB-CE2 3.5Å; R47-Y49 VanDerWaalsContact CB-CE2 3.5Å; R47-Y49 VanDerWaalsContact CD-OH 3.27Å; R47-Y49 WeakPolarHBondContact CD-OH 3.19Å; R47-Y49 HydrophobicContact CG-CE2 4.39Å; R47-Y49 PolarHBondContact NH1-OH 3Å; R47-Y49 VanDerWaalsContact O-CD2 3.26Å; R47-Y49 WeakPolarHBondContact O-CD2 3.47Å; R47-Y49 PolarHBondContact O-N 3.02Å; Y49-L51 PolarHBondContact O-N 2.7Å
50F38.8Very low39.4Very low204 Ų204119.9 Ų119.990%0.89558%0.58SS**  trans-88.161.7174-131.3-77.8000109.9
51L37.6Very low40.3Very low121 Ų121114.9 Ų114.963%0.63455%0.554SS**SBendtrans-150.6128.3174.6-94.6130.2000110.2Y49Y49-L51 PolarHBondContact O-N 2.7Å
52E37.1Very low41.2Very low110 Ų110112 Ų11251%0.51453%0.533SS..  trans51.4101.4158.9-58.5179.311200118.3S54 R55 L56E52-S54 PolarHBondContact O-N 3.34Å; E52-S54 VanDerWaalsContact O-N 3.15Å; E52-R55 HydrophobicContact CB-CB 3.92Å; E52-R55 WeakPolarHBondContact O-CB 3.31Å; E52-R55 PolarHBondContact O-N 3.38Å; E52-L56 PolarHBondContact O-N 3.24Å; E52-L56 VanDerWaalsContact O-N 3.13Å
53G44.4Very low42.5Very low41 Ų41110.5 Ų110.542%0.42352%0.524SS..Hα-helixtrans-61.8-19.9173.600000115.1N28 S57N28-G53 PolarHBondContact ND2-O 2.83Å; N28-G53 VanDerWaalsContact ND2-O 3.13Å; N28-G53 PolarHBondContact OD1-O 3.5Å; G53-S57 VanDerWaalsContact O-CB 3.26Å; G53-S57 WeakPolarHBondContact O-CB 3.36Å; G53-S57 PolarHBondContact O-N 3.46Å
54S46.7Very low44.2Very low66 Ų66103.2 Ų103.246%0.46249%0.49SS..Hα-helixtrans-66-51.8167.347.50000111.2E52 S57 I58E52-S54 PolarHBondContact O-N 3.34Å; E52-S54 VanDerWaalsContact O-N 3.15Å; S54-S57 PolarHBondContact O-N 3.15Å; S54-I58 PolarHBondContact O-N 3.3Å; S54-I58 VanDerWaalsContact O-N 3.13Å
55R37.4Very low46.1Very low131 Ų131100.5 Ų100.549%0.49447%0.466SS..Hα-helixtrans-60.8-50.2-178.5-167.9169.6-167.2170.91111.5E52 S57 I58 E59 E117E52-R55 HydrophobicContact CB-CB 3.92Å; E52-R55 WeakPolarHBondContact O-CB 3.31Å; E52-R55 PolarHBondContact O-N 3.38Å; R55-S57 PolarHBondContact O-N 2.95Å; R55-I58 PolarHBondContact O-N 2.98Å; R55-E59 WeakPolarHBondContact O-CB 3.15Å; R55-E59 PolarHBondContact O-N 3.47Å; R55-E117 IonicContact NE-OE1 3.26Å; R55-E117 PolarHBondContact NE-OE1 2.83Å; R55-E117 IonicContact NH2-OE1 2.62Å
56L45.9Very low48.2Very low57 Ų5797.7 Ų97.730%0.29845%0.452SS..Hα-helixtrans-65.7-34.7178.5-76.6169.6000113.6E52 L60E52-L56 PolarHBondContact O-N 3.24Å; E52-L56 VanDerWaalsContact O-N 3.13Å; L56-L60 VanDerWaalsContact O-CB 3.27Å; L56-L60 WeakPolarHBondContact O-CB 3.31Å; L56-L60 VanDerWaalsContact O-CG 3.23Å; L56-L60 WeakPolarHBondContact O-CG 3.41Å; L56-L60 PolarHBondContact O-N 2.89Å
57S46.3Very low50.8Low18 Ų1894.2 Ų94.213%0.12643%0.433CS..Hα-helixtrans-63.9-44.4174.9-1750000111.3N28 G53 S54 R55 L60 Q61N28-S57 WeakPolarHBondContact ND2-CB 3.24Å; G53-S57 VanDerWaalsContact O-CB 3.26Å; G53-S57 WeakPolarHBondContact O-CB 3.36Å; G53-S57 PolarHBondContact O-N 3.46Å; S54-S57 PolarHBondContact O-N 3.15Å; R55-S57 PolarHBondContact O-N 2.95Å; S57-L60 PolarHBondContact O-N 2.88Å; S57-Q61 WeakPolarHBondContact O-CG 3.24Å; S57-Q61 PolarHBondContact O-N 2.78Å
58I47.4Very low53.5Low39 Ų3987.4 Ų87.420%0.241%0.407CS..Hα-helixtrans-72-39.7179.7-67.1167.7000110.8S54 R55 L60 Q61 I62 K115 F118S54-I58 PolarHBondContact O-N 3.3Å; S54-I58 VanDerWaalsContact O-N 3.13Å; R55-I58 PolarHBondContact O-N 2.98Å; I58-L60 VanDerWaalsContact C-N 3.3Å; I58-L60 PolarHBondContact O-N 2.96Å; I58-Q61 CarbonylContact O-C 3.58Å; I58-Q61 WeakPolarHBondContact O-CA 3.41Å; I58-Q61 WeakPolarHBondContact O-CB 3.29Å; I58-Q61 PolarHBondContact O-N 3.08Å; I58-I62 HydrophobicContact CG2-CD1 3.91Å; I58-I62 HydrophobicContact CG2-CG1 4.37Å; I58-I62 WeakPolarHBondContact O-CG1 3.25Å; I58-I62 PolarHBondContact O-N 2.8Å; I58-K115 HydrophobicContact CB-CD 4.18Å; I58-K115 HydrophobicContact CD1-CD 3.57Å; I58-K115 HydrophobicContact CG1-CD 4.47Å; I58-K115 HydrophobicContact CG2-CD 4.03Å; I58-F118 HydrophobicContact CG2-CD2 4.31Å; I58-F118 HydrophobicContact CG2-CE2 3.72Å
59E45.8Very low56.3Low48 Ų4878.7 Ų78.722%0.22437%0.373CS..Hα-helixtrans-64.7-34.5175.6-154.8-159.5171.300111.8R55 I62 K63R55-E59 WeakPolarHBondContact O-CB 3.15Å; R55-E59 PolarHBondContact O-N 3.47Å; E59-I62 PolarHBondContact O-N 3.47Å; E59-K63 HydrophobicContact CG-CD 4.44Å; E59-K63 WeakPolarHBondContact O-CB 3.18Å; E59-K63 WeakPolarHBondContact O-CD 3.46Å; E59-K63 WeakPolarHBondContact O-CG 3.3Å; E59-K63 PolarHBondContact O-N 2.89Å; E59-K63 WeakPolarHBondContact OE1-CE 3.49Å; E59-K63 IonicContact OE1-NZ 3.91Å; E59-K63 PolarHBondContact OE1-NZ 2.74Å; E59-K63 IonicContact OE2-NZ 2.92Å; E59-K63 PolarHBondContact OE2-NZ 2.83Å
60L51.8Low58.9Low82 Ų8273 Ų7343%0.42935%0.351SS..Hα-helixtrans-71-29.1170.7-75.9171.6000113.2Y24 L56 S57 I58 A64Y24-L60 HydrophobicContact CE1-CB 4.5Å; L56-L60 VanDerWaalsContact O-CB 3.27Å; L56-L60 WeakPolarHBondContact O-CB 3.31Å; L56-L60 VanDerWaalsContact O-CG 3.23Å; L56-L60 WeakPolarHBondContact O-CG 3.41Å; L56-L60 PolarHBondContact O-N 2.89Å; S57-L60 PolarHBondContact O-N 2.88Å; I58-L60 VanDerWaalsContact C-N 3.3Å; I58-L60 PolarHBondContact O-N 2.96Å; L60-A64 WeakPolarHBondContact O-CB 3.37Å; L60-A64 PolarHBondContact O-N 3.04Å
61Q53.2Low61.4Low40 Ų4064 Ų6419%0.18731%0.312CS..Hα-helixtrans-67.9-51.8167.8-76.5169.9-110.500109.9S57 I58 K63 A64 W65S57-Q61 WeakPolarHBondContact O-CG 3.24Å; S57-Q61 PolarHBondContact O-N 2.78Å; I58-Q61 CarbonylContact O-C 3.58Å; I58-Q61 WeakPolarHBondContact O-CA 3.41Å; I58-Q61 WeakPolarHBondContact O-CB 3.29Å; I58-Q61 PolarHBondContact O-N 3.08Å; Q61-K63 PolarHBondContact O-N 3.25Å; Q61-A64 CarbonylContact O-C 3.54Å; Q61-A64 WeakPolarHBondContact O-CA 3.35Å; Q61-A64 WeakPolarHBondContact O-CB 3.19Å; Q61-A64 PolarHBondContact O-N 3.17Å; Q61-W65 PolarHBondContact O-N 2.86Å
62I55.5Low63.9Low37 Ų3758.2 Ų58.219%0.1928%0.282CS..Hα-helixtrans-49.2-52.5175.8-71.1166.1000111.1I58 E59 A64 W65 E117 F118I58-I62 HydrophobicContact CG2-CD1 3.91Å; I58-I62 HydrophobicContact CG2-CG1 4.37Å; I58-I62 WeakPolarHBondContact O-CG1 3.25Å; I58-I62 PolarHBondContact O-N 2.8Å; E59-I62 PolarHBondContact O-N 3.47Å; I62-A64 PolarHBondContact O-N 3.3Å; I62-W65 PolarHBondContact O-N 2.87Å; I62-E117 HydrophobicContact CD1-CB 3.85Å; I62-E117 VanDerWaalsContact CD1-OE2 3.25Å; I62-E117 WeakPolarHBondContact CD1-OE2 3.43Å; I62-F118 HydrophobicContact CD1-CE1 4.34Å; I62-F118 HydrophobicContact CD1-CE2 4Å; I62-F118 HydrophobicContact CD1-CZ 3.9Å; I62-F118 HydrophobicContact CG1-CE1 3.87Å; I62-F118 HydrophobicContact CG1-CE2 3.89Å; I62-F118 HydrophobicContact CG1-CZ 3.34Å
63K56.9Low66.3Low134 Ų13455.5 Ų55.558%0.58327%0.267SS*.THydrogen-bonded Turntrans-63.3-10.4176.7-71.5165.1-176.4166.60114.5E59 Q61E59-K63 HydrophobicContact CG-CD 4.44Å; E59-K63 WeakPolarHBondContact O-CB 3.18Å; E59-K63 WeakPolarHBondContact O-CD 3.46Å; E59-K63 WeakPolarHBondContact O-CG 3.3Å; E59-K63 PolarHBondContact O-N 2.89Å; E59-K63 WeakPolarHBondContact OE1-CE 3.49Å; E59-K63 IonicContact OE1-NZ 3.91Å; E59-K63 PolarHBondContact OE1-NZ 2.74Å; E59-K63 IonicContact OE2-NZ 2.92Å; E59-K63 PolarHBondContact OE2-NZ 2.83Å; Q61-K63 PolarHBondContact O-N 3.25Å
64A69.4Low68.3Low22 Ų2254 Ų5418%0.18225%0.25CC..THydrogen-bonded Turntrans-106.2-14.8179.800000114.3P16 L60 Q61 I62P16-A64 HydrophobicContact CG-CB 3.45Å; P16-A64 VanDerWaalsContact CG-CB 3.45Å; L60-A64 WeakPolarHBondContact O-CB 3.37Å; L60-A64 PolarHBondContact O-N 3.04Å; Q61-A64 CarbonylContact O-C 3.54Å; Q61-A64 WeakPolarHBondContact O-CA 3.35Å; Q61-A64 WeakPolarHBondContact O-CB 3.19Å; Q61-A64 PolarHBondContact O-N 3.17Å; I62-A64 PolarHBondContact O-N 3.3Å
65W80.4Confident69.8Low29 Ų2950.9 Ų50.911%0.1123%0.228CC..  trans-62.8149166.8-6177000109.6R13 K14 S15 Q61 I62 I123 Y134 V136R13-W65 VanDerWaalsContact O-CE3 3.25Å; K14-W65 CarbonylContact O-C 3.39Å; K14-W65 VanDerWaalsContact O-CA 3.29Å; K14-W65 WeakPolarHBondContact O-CA 3.48Å; S15-W65 VanDerWaalsContact CA-CE3 3.43Å; Q61-W65 PolarHBondContact O-N 2.86Å; I62-W65 PolarHBondContact O-N 2.87Å; W65-I123 HydrophobicContact CH2-CD1 4.22Å; W65-I123 HydrophobicContact CH2-CG2 4.14Å; W65-I123 HydrophobicContact CZ2-CD1 4.34Å; W65-Y134 WeakPolarHBondContact CZ3-O 3.15Å; W65-V136 HydrophobicContact CD2-CG2 4.2Å; W65-V136 HydrophobicContact CE3-CG2 3.63Å; W65-V136 HydrophobicContact CH2-CG2 3.65Å; W65-V136 HydrophobicContact CZ2-CG2 4.2Å; W65-V136 HydrophobicContact CZ3-CG2 3.34Å
66K83.7Confident71.3Confident127 Ų12751.5 Ų51.555%0.55223%0.231SC*.EExtended strand (participates in β ladder)trans-133.1116.8-179.7-59.4-165.5178.1-160.20110.1K14 R68K14-K66 PolarHBondContact N-O 3.34Å; K14-K66 VanDerWaalsContact N-O 3.09Å; K14-K66 PolarHBondContact O-N 3.15Å; K66-R68 PolarHBondContact O-N 3.28Å
67R88.6Confident72Confident129 Ų12955.6 Ų55.649%0.48725%0.252SS..EExtended strand (participates in β ladder)trans-51.8135.4164.6-138.4-179-168.8-144.12.6108.9W11 L12 R13 D138W11-R67 HydrophobicContact CB-CG 4.34Å; W11-R67 HydrophobicContact CE3-CB 4.37Å; W11-R67 HydrophobicContact CE3-CG 3.93Å; W11-R67 WeakPolarHBondContact O-CG 3.48Å; W11-R67 PolarHBondContact O-NE 2.82Å; L12-R67 WeakPolarHBondContact O-CA 3.44Å; R13-R67 HydrophobicContact CG-CB 4.2Å; R13-R67 HydrophobicContact CG-CG 3.86Å; R67-D138 IonicContact CZ-OD2 2.67Å; R67-D138 VanDerWaalsContact CZ-OD2 3.25Å; R67-D138 IonicContact NE-OD2 3.25Å; R67-D138 PolarHBondContact NE-OD2 2.78Å; R67-D138 IonicContact NH2-OD2 2.62Å; R67-D138 PolarHBondContact NH2-OD2 2.83Å
68R89.4Confident72.8Confident52 Ų5258 Ų5820%0.19627%0.266CS..  trans-145.1152177.7-68.1-63.9128.5155.5-16.7108.3W11 L12 K66 F70 Y86 Y87W11-R68 CarbonylContact C-O 3.59Å; W11-R68 WeakPolarHBondContact CA-O 3.17Å; L12-R68 PolarHBondContact N-O 3.36Å; L12-R68 PolarHBondContact O-N 2.92Å; K66-R68 PolarHBondContact O-N 3.28Å; R68-F70 HydrophobicContact CB-CD2 4.03Å; R68-F70 HydrophobicContact CB-CE2 3.75Å; R68-Y86 HydrophobicContact CG-CD2 4.36Å; R68-Y87 WeakPolarHBondContact CB-O 3.27Å; R68-Y87 WeakPolarHBondContact CD-O 3.41Å
69W90.3Very high73.8Confident45 Ų4559.8 Ų59.817%0.1729%0.294CS..  trans-78.5124.6165.5-171.1-117.8000108.2S9 G10 W11 Y86 Y87 D90S9-W69 WeakPolarHBondContact OG-CZ2 3.44Å; G10-W69 VanDerWaalsContact C-CZ3 3.49Å; G10-W69 WeakPolarHBondContact O-CA 3.3Å; W11-W69 HydrophobicContact CB-CE3 4.5Å; W11-W69 AromaticContact CD1-CE3 3.47Å; W11-W69 VanDerWaalsContact CD1-CE3 3.47Å; W11-W69 AromaticContact CD1-CZ3 3.42Å; W11-W69 VanDerWaalsContact CD1-CZ3 3.42Å; W11-W69 AromaticContact CD2-CE3 3.89Å; W11-W69 HydrophobicContact CD2-CE3 3.89Å; W11-W69 AromaticContact CE2-CE3 3.79Å; W11-W69 HydrophobicContact CE3-CB 4.49Å; W11-W69 AromaticContact CG-CE3 3.71Å; W11-W69 HydrophobicContact CG-CE3 3.71Å; W11-W69 HydrophobicContact CG-CZ3 4.01Å; W11-W69 HydrophobicContact CH2-CB 4.47Å; W11-W69 HydrophobicContact CZ3-CB 4.43Å; W11-W69 AromaticContact NE1-CE3 3.47Å; W11-W69 AromaticContact NE1-CZ3 3.66Å; W69-Y86 CarbonylContact O-C 3.58Å; W69-Y86 WeakPolarHBondContact O-CA 3.25Å; W69-Y87 PolarHBondContact O-N 3.03Å; W69-D90 HydrophobicContact CD2-CB 4.24Å; W69-D90 HydrophobicContact CG-CB 4.11Å; W69-D90 PolarHBondContact NE1-OD1 2.87Å; W69-D90 VanDerWaalsContact NE1-OD1 3.11Å
70F91.4Very high75.2Confident2 Ų260.2 Ų60.21%0.00930%0.298CS..EExtended strand (participates in β ladder)trans-107146.2173-79.7-103.9000109.1S9 G10 L12 K14 R68 L84 E85 Y86 L135 W146S9-F70 WeakPolarHBondContact CA-O 3.44Å; S9-F70 WeakPolarHBondContact CB-O 3.5Å; G10-F70 PolarHBondContact N-O 2.9Å; G10-F70 PolarHBondContact O-N 2.88Å; L12-F70 HydrophobicContact CB-CD2 3.68Å; L12-F70 HydrophobicContact CB-CE2 3.79Å; L12-F70 HydrophobicContact CB-CG 4.46Å; L12-F70 HydrophobicContact CD1-CD2 4.3Å; L12-F70 HydrophobicContact CD1-CG 4.29Å; L12-F70 HydrophobicContact CG-CD2 4.32Å; K14-F70 HydrophobicContact CB-CE2 4.29Å; K14-F70 HydrophobicContact CB-CZ 3.96Å; K14-F70 HydrophobicContact CD-CZ 4.1Å; K14-F70 HydrophobicContact CG-CZ 4.22Å; R68-F70 HydrophobicContact CB-CD2 4.03Å; R68-F70 HydrophobicContact CB-CE2 3.75Å; F70-L84 HydrophobicContact CB-CD1 4.37Å; F70-L84 HydrophobicContact CD1-CD1 3.98Å; F70-L84 HydrophobicContact CD1-CD2 4.2Å; F70-L84 HydrophobicContact CD1-CG 4.06Å; F70-L84 HydrophobicContact CE1-CD2 4.49Å; F70-E85 CarbonylContact C-O 3.53Å; F70-E85 WeakPolarHBondContact CA-O 3.19Å; F70-Y86 HydrophobicContact CD1-CD1 4.44Å; F70-Y86 HydrophobicContact CD1-CG 4.35Å; F70-Y86 AromaticContact CE1-CD1 3.74Å; F70-Y86 HydrophobicContact CE1-CD1 3.74Å; F70-Y86 AromaticContact CE1-CG 3.87Å; F70-Y86 HydrophobicContact CE1-CG 3.87Å; F70-Y86 HydrophobicContact CZ-CD1 4.11Å; F70-Y86 HydrophobicContact CZ-CG 4Å; F70-L135 HydrophobicContact CD1-CD2 4.11Å; F70-L135 HydrophobicContact CE1-CD2 3.48Å; F70-L135 VanDerWaalsContact CE1-CD2 3.48Å; F70-L135 HydrophobicContact CE2-CD2 3.98Å; F70-L135 HydrophobicContact CZ-CD2 3.39Å; F70-L135 HydrophobicContact CZ-CG 4.47Å; F70-W146 HydrophobicContact CB-CH2 3.46Å; F70-W146 VanDerWaalsContact CB-CH2 3.46Å; F70-W146 HydrophobicContact CB-CZ2 3.91Å; F70-W146 HydrophobicContact CB-CZ3 4.13Å
71V90.8Very high76.4Confident13 Ų1359.8 Ų59.88%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-139109.5-179.4-177.90000107.7V6 E85 Y87V6-V71 HydrophobicContact CB-CG1 4.44Å; V6-V71 HydrophobicContact CG1-CG1 3.75Å; V6-V71 HydrophobicContact CG2-CG1 3.81Å; V71-E85 PolarHBondContact N-O 3.41Å; V71-E85 PolarHBondContact O-N 2.93Å; V71-Y87 HydrophobicContact CB-CE2 4.24Å; V71-Y87 HydrophobicContact CG2-CD2 4.01Å; V71-Y87 HydrophobicContact CG2-CE2 4.01Å
72L90.1Very high78Confident0 Ų058.7 Ų58.70%030%0.296CS..EExtended strand (participates in β ladder)trans-87.8120.1175.5177.959.9000109V6 V7 C8 L84 L101 W146 C149 I150 I153V6-L72 CarbonylContact C-O 3.44Å; V6-L72 WeakPolarHBondContact CA-O 3.49Å; V7-L72 PolarHBondContact N-O 2.89Å; V7-L72 VanDerWaalsContact N-O 3.07Å; C8-L72 HydrophobicContact CB-CB 4Å; C8-L72 HydrophobicContact CB-CD2 3.78Å; C8-L72 HydrophobicContact CB-CG 4.49Å; C8-L72 WeakPolarHBondContact O-CB 3.41Å; C8-L72 PolarHBondContact O-N 3.05Å; L72-L84 HydrophobicContact CB-CD1 4.09Å; L72-L84 HydrophobicContact CD1-CB 4.4Å; L72-L84 HydrophobicContact CD1-CD1 4.33Å; L72-L101 HydrophobicContact CD1-CD1 3.24Å; L72-W146 HydrophobicContact CB-CZ3 3.95Å; L72-C149 HydrophobicContact CD2-CB 3.5Å; L72-C149 VanDerWaalsContact CD2-CB 3.5Å; L72-I150 HydrophobicContact CD1-CG1 4.33Å; L72-I150 HydrophobicContact CD2-CG1 4.15Å; L72-I153 HydrophobicContact CD1-CD1 3.81Å; L72-I153 HydrophobicContact CD2-CD1 3.85Å; L72-I153 HydrophobicContact CG-CD1 3.68Å
73R87.6Confident79.6Confident53 Ų5357.4 Ų57.420%0.229%0.29CS..EExtended strand (participates in β ladder)trans-105.5127.7171-53.4-171.5-155.3-67.6-5.4110.2E5 V83 E85 Y87E5-R73 CarbonylContact O-C 3.59Å; E5-R73 VanDerWaalsContact O-CA 3.24Å; E5-R73 WeakPolarHBondContact O-CA 3.32Å; R73-V83 HydrophobicContact CB-CG2 3.88Å; R73-V83 HydrophobicContact CG-CG2 4.15Å; R73-V83 PolarHBondContact N-O 3.09Å; R73-V83 PolarHBondContact O-N 3.19Å; R73-V83 VanDerWaalsContact O-N 3.1Å; R73-E85 IonicContact CZ-OE1 3.02Å; R73-E85 VanDerWaalsContact CZ-OE1 3.26Å; R73-E85 IonicContact CZ-OE2 2.74Å; R73-E85 IonicContact NE-OE1 3.04Å; R73-E85 PolarHBondContact NE-OE1 3.33Å; R73-E85 IonicContact NH2-OE1 3.45Å; R73-E85 PolarHBondContact NH2-OE1 3.25Å; R73-E85 IonicContact NH2-OE2 2.63Å; R73-E85 PolarHBondContact NH2-OE2 3.19Å; R73-Y87 PolarHBondContact NH2-OH 3.45Å
74S84.8Confident81.1Confident9 Ų951.1 Ų51.16%0.06326%0.262CS..EExtended strand (participates in β ladder)trans-89.6127.4160179.30000108.7G4 E5 V7 R76 D82G4-S74 CarbonylContact C-O 3.53Å; G4-S74 WeakPolarHBondContact CA-O 3.47Å; E5-S74 PolarHBondContact N-O 2.82Å; E5-S74 PolarHBondContact O-N 3.44Å; V7-S74 VanDerWaalsContact CG2-CB 3.4Å; S74-R76 PolarHBondContact OG-N 3.05Å; S74-D82 VanDerWaalsContact CA-OD1 3.3Å; S74-D82 WeakPolarHBondContact CA-OD1 3.49Å
75G78.5Confident82.1Confident1 Ų150.8 Ų50.81%0.0126%0.257CS..  trans-97.9-6.4168.700000113.1L77 T78 G79 D80 D82G75-L77 PolarHBondContact O-N 3.27Å; G75-L77 VanDerWaalsContact O-N 3.1Å; G75-T78 CarbonylContact O-C 3.32Å; G75-T78 PolarHBondContact O-N 3.1Å; G75-G79 PolarHBondContact O-N 3.39Å; G75-D80 CarbonylContact C-O 3.59Å; G75-D80 VanDerWaalsContact CA-O 3.25Å; G75-D80 WeakPolarHBondContact CA-O 3.3Å; G75-D80 PolarHBondContact O-N 3Å; G75-D82 PolarHBondContact N-OD1 2.95Å
76R68.9Low82.6Confident145 Ų14549.9 Ų49.955%0.54725%0.254SS..THydrogen-bonded Turntrans-50.5-37.2-178.9-70.5-171.7174.6-172.81114.5S74 D152 I153S74-R76 PolarHBondContact OG-N 3.05Å; R76-D152 PolarHBondContact NH1-O 3.1Å; R76-D152 PolarHBondContact NH2-O 3.18Å; R76-I153 VanDerWaalsContact CZ-O 3.32Å; R76-I153 PolarHBondContact NE-O 3.2Å; R76-I153 VanDerWaalsContact NH2-C 3.35Å; R76-I153 PolarHBondContact NH2-O 2.83Å
77L61.3Low82.8Confident143 Ų14345 Ų4575%0.74923%0.232SC*.THydrogen-bonded Turntrans-88.6-4.2178.7-58.4-171.8000114.1G75G75-L77 PolarHBondContact O-N 3.27Å; G75-L77 VanDerWaalsContact O-N 3.1Å
78T63.3Low82.6Confident67 Ų6745.1 Ų45.141%0.41124%0.236SC..THydrogen-bonded Turntrans-126.5-13.7-171-28.10000113.7S2 G75 D80S2-T78 VanDerWaalsContact OG-CG2 3.25Å; S2-T78 WeakPolarHBondContact OG-CG2 3.42Å; G75-T78 CarbonylContact O-C 3.32Å; G75-T78 PolarHBondContact O-N 3.1Å; T78-D80 PolarHBondContact O-N 3.34Å
79G67.4Low82.2Confident78 Ų7846.4 Ų46.480%0.80425%0.247SC*.THydrogen-bonded Turntrans774.9-17200000114.4G75G75-G79 PolarHBondContact O-N 3.39Å
80D75.9Confident81.6Confident56 Ų5647.7 Ų47.730%0.29926%0.257SS..PPolyproline II helixtrans-76.1163.7171-81.4-50.1000110.5S2 G4 G75 T78S2-D80 VanDerWaalsContact CB-OD2 3.27Å; S2-D80 WeakPolarHBondContact CB-OD2 3.4Å; S2-D80 PolarHBondContact OG-OD2 2.98Å; G4-D80 PolarHBondContact N-OD2 3.28Å; G75-D80 CarbonylContact C-O 3.59Å; G75-D80 VanDerWaalsContact CA-O 3.25Å; G75-D80 WeakPolarHBondContact CA-O 3.3Å; G75-D80 PolarHBondContact O-N 3Å; T78-D80 PolarHBondContact O-N 3.34Å
81P77Confident80.5Confident74 Ų7455.8 Ų55.848%0.48130%0.295SS..PPolyproline II helixtrans-77.3142.4173.530.7-34.4000112.1V83P81-V83 HydrophobicContact CB-CG1 4.49Å; P81-V83 HydrophobicContact CG-CG1 4.43Å; P81-V83 PolarHBondContact O-N 3.31Å
82D86.4Confident79.9Confident16 Ų1656.6 Ų56.69%0.08630%0.303CS..PPolyproline II helixtrans-69.8121.7174.9-66.6-45.3000111.1S74 G75 L101 I153S74-D82 VanDerWaalsContact CA-OD1 3.3Å; S74-D82 WeakPolarHBondContact CA-OD1 3.49Å; G75-D82 PolarHBondContact N-OD1 2.95Å; D82-L101 HydrophobicContact CB-CB 4.17Å; D82-L101 PolarHBondContact O-N 3.33Å; D82-I153 HydrophobicContact CB-CG2 3.47Å; D82-I153 VanDerWaalsContact CB-CG2 3.47Å; D82-I153 VanDerWaalsContact CG-CG2 3.44Å
83V89.3Confident79.1Confident11 Ų1166.9 Ų66.97%0.06735%0.347CS..EExtended strand (participates in β ladder)trans-142.5132.7-170.8-66.60000113.7R73 P81 E85 I98R73-V83 HydrophobicContact CB-CG2 3.88Å; R73-V83 HydrophobicContact CG-CG2 4.15Å; R73-V83 PolarHBondContact N-O 3.09Å; R73-V83 PolarHBondContact O-N 3.19Å; R73-V83 VanDerWaalsContact O-N 3.1Å; P81-V83 HydrophobicContact CB-CG1 4.49Å; P81-V83 HydrophobicContact CG-CG1 4.43Å; P81-V83 PolarHBondContact O-N 3.31Å; V83-E85 HydrophobicContact CG2-CG 4.34Å; V83-I98 HydrophobicContact CB-CG2 3.62Å; V83-I98 HydrophobicContact CG1-CG2 3.6Å; V83-I98 HydrophobicContact CG2-CG2 4.23Å
84L89.2Confident78.7Confident1 Ų172.3 Ų72.31%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-98.2102.9168.4179.162.1000109.9F70 L72 I99 L101 I126 W146 I150F70-L84 HydrophobicContact CB-CD1 4.37Å; F70-L84 HydrophobicContact CD1-CD1 3.98Å; F70-L84 HydrophobicContact CD1-CD2 4.2Å; F70-L84 HydrophobicContact CD1-CG 4.06Å; F70-L84 HydrophobicContact CE1-CD2 4.49Å; L72-L84 HydrophobicContact CB-CD1 4.09Å; L72-L84 HydrophobicContact CD1-CB 4.4Å; L72-L84 HydrophobicContact CD1-CD1 4.33Å; L84-I99 HydrophobicContact CB-CB 4.31Å; L84-I99 PolarHBondContact N-O 2.83Å; L84-I99 VanDerWaalsContact O-CB 3.3Å; L84-I99 WeakPolarHBondContact O-CB 3.27Å; L84-I99 PolarHBondContact O-N 3.38Å; L84-L101 HydrophobicContact CB-CD1 4.11Å; L84-L101 HydrophobicContact CB-CD2 3.91Å; L84-L101 HydrophobicContact CB-CG 4.08Å; L84-I126 HydrophobicContact CD2-CD1 3.36Å; L84-W146 HydrophobicContact CD1-CH2 4.45Å; L84-W146 HydrophobicContact CD1-CZ3 3.73Å; L84-I150 HydrophobicContact CD2-CD1 4.24Å
85E90.6Very high78.7Confident16 Ų1673.4 Ų73.48%0.07538%0.379CS..EExtended strand (participates in β ladder)trans-90.8148.8176.7-65.2-171.7-147.600111.8F70 V71 R73 V83 Y87 P95 I98F70-E85 CarbonylContact C-O 3.53Å; F70-E85 WeakPolarHBondContact CA-O 3.19Å; V71-E85 PolarHBondContact N-O 3.41Å; V71-E85 PolarHBondContact O-N 2.93Å; R73-E85 IonicContact CZ-OE1 3.02Å; R73-E85 VanDerWaalsContact CZ-OE1 3.26Å; R73-E85 IonicContact CZ-OE2 2.74Å; R73-E85 IonicContact NE-OE1 3.04Å; R73-E85 PolarHBondContact NE-OE1 3.33Å; R73-E85 IonicContact NH2-OE1 3.45Å; R73-E85 PolarHBondContact NH2-OE1 3.25Å; R73-E85 IonicContact NH2-OE2 2.63Å; R73-E85 PolarHBondContact NH2-OE2 3.19Å; V83-E85 HydrophobicContact CG2-CG 4.34Å; E85-Y87 HydrophobicContact CB-CD2 4.43Å; E85-Y87 HydrophobicContact CB-CE2 3.69Å; E85-Y87 WeakPolarHBondContact OE2-CE2 3.24Å; E85-Y87 VanDerWaalsContact OE2-CZ 3.25Å; E85-Y87 PolarHBondContact OE2-OH 3.42Å; E85-P95 HydrophobicContact CB-CB 4.19Å; E85-P95 HydrophobicContact CG-CB 4.41Å; E85-P95 WeakPolarHBondContact OE2-CB 3.4Å; E85-P95 WeakPolarHBondContact OE2-CG 3.31Å; E85-I98 HydrophobicContact CG-CB 4.29Å; E85-I98 HydrophobicContact CG-CG1 4.02Å; E85-I98 HydrophobicContact CG-CG2 4.02Å
86Y89.2Confident79.1Confident9 Ų977.1 Ų77.14%0.03540%0.398CS..EExtended strand (participates in β ladder)trans-137.5142.2168.773.7-101.6000114.3K14 R68 W69 F70 I96 R97 I99 F133K14-Y86 HydrophobicContact CD-CE1 4.41Å; K14-Y86 HydrophobicContact CD-CE2 4.47Å; K14-Y86 VanDerWaalsContact NZ-CD2 3.31Å; R68-Y86 HydrophobicContact CG-CD2 4.36Å; W69-Y86 CarbonylContact O-C 3.58Å; W69-Y86 WeakPolarHBondContact O-CA 3.25Å; F70-Y86 HydrophobicContact CD1-CD1 4.44Å; F70-Y86 HydrophobicContact CD1-CG 4.35Å; F70-Y86 AromaticContact CE1-CD1 3.74Å; F70-Y86 HydrophobicContact CE1-CD1 3.74Å; F70-Y86 AromaticContact CE1-CG 3.87Å; F70-Y86 HydrophobicContact CE1-CG 3.87Å; F70-Y86 HydrophobicContact CZ-CD1 4.11Å; F70-Y86 HydrophobicContact CZ-CG 4Å; Y86-I96 HydrophobicContact CD2-CB 3.91Å; Y86-I96 HydrophobicContact CD2-CD1 4.13Å; Y86-I96 HydrophobicContact CD2-CG1 4.49Å; Y86-I96 HydrophobicContact CD2-CG2 4.47Å; Y86-I96 HydrophobicContact CE2-CB 3.5Å; Y86-I96 HydrophobicContact CE2-CD1 4.09Å; Y86-I96 HydrophobicContact CE2-CG1 4.37Å; Y86-I96 HydrophobicContact CE2-CG2 3.59Å; Y86-I96 WeakPolarHBondContact O-CB 3.41Å; Y86-I96 PolarHBondContact O-N 2.83Å; Y86-R97 HydrophobicContact CE1-CB 3.79Å; Y86-R97 HydrophobicContact CE1-CG 4.42Å; Y86-R97 PolarHBondContact N-O 2.73Å; Y86-R97 VanDerWaalsContact N-O 3.08Å; Y86-I99 HydrophobicContact CD1-CD1 4Å; Y86-I99 HydrophobicContact CD1-CG1 4.48Å; Y86-I99 HydrophobicContact CE1-CD1 4.02Å; Y86-I99 HydrophobicContact CE1-CG1 4.39Å; Y86-F133 HydrophobicContact CE1-CE1 4.39Å
87Y88.1Confident79.9Confident26 Ų2674.9 Ų74.910%0.10239%0.389CS..  trans-116.3167.2-164.6-72.7-92.1000111.4R68 W69 V71 R73 E85 A92 K94 P95R68-Y87 WeakPolarHBondContact CB-O 3.27Å; R68-Y87 WeakPolarHBondContact CD-O 3.41Å; W69-Y87 PolarHBondContact O-N 3.03Å; V71-Y87 HydrophobicContact CB-CE2 4.24Å; V71-Y87 HydrophobicContact CG2-CD2 4.01Å; V71-Y87 HydrophobicContact CG2-CE2 4.01Å; R73-Y87 PolarHBondContact NH2-OH 3.45Å; E85-Y87 HydrophobicContact CB-CD2 4.43Å; E85-Y87 HydrophobicContact CB-CE2 3.69Å; E85-Y87 WeakPolarHBondContact OE2-CE2 3.24Å; E85-Y87 VanDerWaalsContact OE2-CZ 3.25Å; E85-Y87 PolarHBondContact OE2-OH 3.42Å; Y87-A92 HydrophobicContact CD1-CB 4.21Å; Y87-A92 WeakPolarHBondContact CD1-O 3.03Å; Y87-A92 WeakPolarHBondContact CE1-O 3.3Å; Y87-K94 WeakPolarHBondContact CD1-O 3.44Å; Y87-P95 HydrophobicContact CD1-CB 4.49Å; Y87-P95 HydrophobicContact CE1-CB 4.04Å; Y87-P95 HydrophobicContact CE1-CG 4.49Å; Y87-P95 HydrophobicContact CE2-CB 4.09Å
88K84.8Confident81.1Confident131 Ų13172.1 Ų72.157%0.5737%0.374SS*.SBendtrans-77.7-40.3177-171-159.1165.4-162.40111.6I96K88-I96 HydrophobicContact CB-CD1 4.03Å
89N81.8Confident82.3Confident78 Ų7869.3 Ų69.342%0.41736%0.357SS..SBendtrans-148155.9-176.8-67.387.9000105.2H91 A92N89-H91 PolarHBondContact O-N 3.32Å; N89-A92 VanDerWaalsContact O-CB 3.24Å; N89-A92 WeakPolarHBondContact O-CB 3.35Å; N89-A92 PolarHBondContact O-N 3.32Å
90D77.1Confident83Confident72 Ų7269.2 Ų69.239%0.38534%0.338SS..THydrogen-bonded Turntrans-49.7-59176.9166.758.1000112.6W69 A92W69-D90 HydrophobicContact CD2-CB 4.24Å; W69-D90 HydrophobicContact CG-CB 4.11Å; W69-D90 PolarHBondContact NE1-OD1 2.87Å; W69-D90 VanDerWaalsContact NE1-OD1 3.11Å; D90-A92 PolarHBondContact O-N 3.01Å
91H67.9Low83.4Confident173 Ų17366.7 Ų66.780%0.80132%0.324SS*.THydrogen-bonded Turntrans-67.39.7-177.7-39.1-33000116N89 K93N89-H91 PolarHBondContact O-N 3.32Å; H91-K93 PolarHBondContact O-N 3.34Å
92A79.6Confident83.4Confident30 Ų3068.2 Ų68.225%0.24833%0.329CS..  trans-80.1111.1-177.600000111.2Y87 N89 D90 K94Y87-A92 HydrophobicContact CD1-CB 4.21Å; Y87-A92 WeakPolarHBondContact CD1-O 3.03Å; Y87-A92 WeakPolarHBondContact CE1-O 3.3Å; N89-A92 VanDerWaalsContact O-CB 3.24Å; N89-A92 WeakPolarHBondContact O-CB 3.35Å; N89-A92 PolarHBondContact O-N 3.32Å; D90-A92 PolarHBondContact O-N 3.01Å; A92-K94 PolarHBondContact O-N 2.86Å
93K72Confident82.9Confident216 Ų21671 Ų7194%0.93934%0.343SS*.SBendtrans-69.317-179.9-57.6-170.4178.5-172.90116.1H91H91-K93 PolarHBondContact O-N 3.34Å
94K80.2Confident82.4Confident167 Ų16771.3 Ų71.373%0.72635%0.346SS*.SBendtrans-144.5120.5179-179.2165.3-176.8167.90111Y87 A92Y87-K94 WeakPolarHBondContact CD1-O 3.44Å; A92-K94 PolarHBondContact O-N 2.86Å
95P84.9Confident81.9Confident31 Ų3177.5 Ų77.520%0.20137%0.374CS..  trans-65143172.626.8-33000109.9E85 Y87 I98E85-P95 HydrophobicContact CB-CB 4.19Å; E85-P95 HydrophobicContact CG-CB 4.41Å; E85-P95 WeakPolarHBondContact OE2-CB 3.4Å; E85-P95 WeakPolarHBondContact OE2-CG 3.31Å; Y87-P95 HydrophobicContact CD1-CB 4.49Å; Y87-P95 HydrophobicContact CE1-CB 4.04Å; Y87-P95 HydrophobicContact CE1-CG 4.49Å; Y87-P95 HydrophobicContact CE2-CB 4.09Å; P95-I98 HydrophobicContact CB-CG1 4.32Å; P95-I98 HydrophobicContact CG-CD1 4.34Å; P95-I98 HydrophobicContact CG-CG1 3.9Å
96I86Confident81.4Confident79 Ų7980.7 Ų80.741%0.40539%0.389SS..SBendtrans-72.4-38.7173.7-61170.1000109.4Y86 K88Y86-I96 HydrophobicContact CD2-CB 3.91Å; Y86-I96 HydrophobicContact CD2-CD1 4.13Å; Y86-I96 HydrophobicContact CD2-CG1 4.49Å; Y86-I96 HydrophobicContact CD2-CG2 4.47Å; Y86-I96 HydrophobicContact CE2-CB 3.5Å; Y86-I96 HydrophobicContact CE2-CD1 4.09Å; Y86-I96 HydrophobicContact CE2-CG1 4.37Å; Y86-I96 HydrophobicContact CE2-CG2 3.59Å; Y86-I96 WeakPolarHBondContact O-CB 3.41Å; Y86-I96 PolarHBondContact O-N 2.83Å; K88-I96 HydrophobicContact CB-CD1 4.03Å
97R85.4Confident81.1Confident99 Ų9981.1 Ų81.137%0.37439%0.393SS..EExtended strand (participates in β ladder)trans-146.7151.9161.6-70.2-170.6-179154.1-2.8109.2Y86Y86-R97 HydrophobicContact CE1-CB 3.79Å; Y86-R97 HydrophobicContact CE1-CG 4.42Å; Y86-R97 PolarHBondContact N-O 2.73Å; Y86-R97 VanDerWaalsContact N-O 3.08Å
98I86.9Confident80.6Confident84 Ų8482.9 Ų82.943%0.43140%0.404SS..EExtended strand (participates in β ladder)trans-91.3140.3155.1-48.9-172.3000105.2V83 E85 P95V83-I98 HydrophobicContact CB-CG2 3.62Å; V83-I98 HydrophobicContact CG1-CG2 3.6Å; V83-I98 HydrophobicContact CG2-CG2 4.23Å; E85-I98 HydrophobicContact CG-CB 4.29Å; E85-I98 HydrophobicContact CG-CG1 4.02Å; E85-I98 HydrophobicContact CG-CG2 4.02Å; P95-I98 HydrophobicContact CB-CG1 4.32Å; P95-I98 HydrophobicContact CG-CD1 4.34Å; P95-I98 HydrophobicContact CG-CG1 3.9Å
99I87.7Confident80.3Confident8 Ų879.3 Ų79.34%0.04140%0.399CS..EExtended strand (participates in β ladder)trans-119110.5172.3-55.9172.9000105.5L84 Y86 L101 T128 F133L84-I99 HydrophobicContact CB-CB 4.31Å; L84-I99 PolarHBondContact N-O 2.83Å; L84-I99 VanDerWaalsContact O-CB 3.3Å; L84-I99 WeakPolarHBondContact O-CB 3.27Å; L84-I99 PolarHBondContact O-N 3.38Å; Y86-I99 HydrophobicContact CD1-CD1 4Å; Y86-I99 HydrophobicContact CD1-CG1 4.48Å; Y86-I99 HydrophobicContact CE1-CD1 4.02Å; Y86-I99 HydrophobicContact CE1-CG1 4.39Å; I99-L101 PolarHBondContact O-N 2.83Å; I99-T128 HydrophobicContact CG2-CG2 3.66Å; I99-F133 HydrophobicContact CD1-CD1 4.04Å; I99-F133 HydrophobicContact CD1-CD2 4.17Å; I99-F133 HydrophobicContact CD1-CE1 3.8Å; I99-F133 HydrophobicContact CD1-CE2 3.94Å; I99-F133 HydrophobicContact CD1-CG 4.21Å; I99-F133 HydrophobicContact CD1-CZ 3.74Å; I99-F133 HydrophobicContact CG1-CE1 4.36Å; I99-F133 HydrophobicContact CG1-CE2 4.26Å; I99-F133 HydrophobicContact CG1-CZ 3.94Å; I99-F133 HydrophobicContact CG2-CE2 4.14Å
100D84Confident79.4Confident76 Ų7677.3 Ų77.341%0.40640%0.396SS..EExtended strand (participates in β ladder)trans-76.1116.4-175-44.5-48.9000109.1N102 L103D100-N102 VanDerWaalsContact C-N 3.34Å; D100-L103 HydrophobicContact CB-CD1 4.18Å; D100-L103 HydrophobicContact CB-CG 4.32Å; D100-L103 PolarHBondContact O-N 2.88Å; D100-L103 VanDerWaalsContact O-N 3.08Å
101L83.3Confident78.7Confident3 Ų376.2 Ų76.22%0.01639%0.39CS..G310 helixtrans-77.5-24-172.5-68.6175.9000112.5L72 D82 L84 I99 L103 C104 I150 I153L72-L101 HydrophobicContact CD1-CD1 3.24Å; D82-L101 HydrophobicContact CB-CB 4.17Å; D82-L101 PolarHBondContact O-N 3.33Å; L84-L101 HydrophobicContact CB-CD1 4.11Å; L84-L101 HydrophobicContact CB-CD2 3.91Å; L84-L101 HydrophobicContact CB-CG 4.08Å; I99-L101 PolarHBondContact O-N 2.83Å; L101-L103 PolarHBondContact O-N 2.93Å; L101-C104 HydrophobicContact CD2-CB 4.44Å; L101-C104 WeakPolarHBondContact O-CB 3.43Å; L101-C104 PolarHBondContact O-N 2.87Å; L101-I150 HydrophobicContact CD2-CG2 4.14Å; L101-I153 HydrophobicContact CD1-CG2 3.99Å
102N76.4Confident77.8Confident107 Ų10774.1 Ų74.157%0.57239%0.39SS*.G310 helixtrans-54.5-14163.4-62.7-5000113.5D100D100-N102 VanDerWaalsContact C-N 3.34Å
103L76.9Confident76.5Confident75 Ų7576.5 Ų76.539%0.39340%0.395SS..G310 helixtrans-117.112.9177.3-52.5177.7000112.6D100 L101 T128 I129D100-L103 HydrophobicContact CB-CD1 4.18Å; D100-L103 HydrophobicContact CB-CG 4.32Å; D100-L103 PolarHBondContact O-N 2.88Å; D100-L103 VanDerWaalsContact O-N 3.08Å; L101-L103 PolarHBondContact O-N 2.93Å; L103-T128 VanDerWaalsContact O-CA 3.3Å; L103-T128 WeakPolarHBondContact O-CA 3.32Å; L103-T128 VanDerWaalsContact O-CB 3.31Å; L103-T128 WeakPolarHBondContact O-CB 3.4Å; L103-I129 HydrophobicContact CB-CD1 4.23Å; L103-I129 HydrophobicContact CB-CG1 4.19Å; L103-I129 HydrophobicContact CD1-CD1 4.06Å; L103-I129 HydrophobicContact CD2-CD1 4.16Å; L103-I129 HydrophobicContact CG-CD1 4.39Å; L103-I129 PolarHBondContact O-N 2.96Å
104C79.4Confident75.1Confident17 Ų1773.9 Ų73.912%0.11539%0.391CS..EExtended strand (participates in β ladder)trans-75.9134.6165.9-162.30000109L101 I126 T128 F156L101-C104 HydrophobicContact CD2-CB 4.44Å; L101-C104 WeakPolarHBondContact O-CB 3.43Å; L101-C104 PolarHBondContact O-N 2.87Å; C104-I126 VanDerWaalsContact SG-CG2 3.57Å; C104-T128 HydrophobicContact CB-CG2 4.44Å; C104-F156 HydrophobicContact CB-CE2 4.33Å; C104-F156 HydrophobicContact CB-CZ 4.43Å
105Q78.9Confident73.6Confident130 Ų13067.8 Ų67.861%0.60737%0.365SS*.EExtended strand (participates in β ladder)trans-106.7-30.2179.6-175.2173.84.200112.1N127 F156Q105-N127 PolarHBondContact N-O 3.25Å; Q105-F156 VanDerWaalsContact C-CZ 3.45Å; Q105-F156 WeakPolarHBondContact O-CE1 3.2Å; Q105-F156 WeakPolarHBondContact O-CZ 3.43Å
106Q78.2Confident72Confident84 Ų8474.5 Ų74.539%0.39339%0.391SS..EExtended strand (participates in β ladder)trans-162.5151.6-173.7177.5174.35.500109.9D108 N127Q106-D108 WeakPolarHBondContact CG-OD1 3.45Å; Q106-D108 PolarHBondContact NE2-OD1 2.61Å; Q106-D108 PolarHBondContact NE2-OD2 3.42Å; Q106-N127 HydrophobicContact CB-CB 4.06Å; Q106-N127 PolarHBondContact N-O 2.82Å; Q106-N127 WeakPolarHBondContact O-CB 3.36Å; Q106-N127 PolarHBondContact O-N 3.39Å
107V82.9Confident70.6Confident18 Ų1873.9 Ų73.911%0.10939%0.386CS..  trans-138.598.8177.9178.60000108F124 D125 V147 I150 F156V107-F124 HydrophobicContact CG1-CD2 4.45Å; V107-D125 WeakPolarHBondContact CA-O 3.5Å; V107-D125 WeakPolarHBondContact CG1-O 3.35Å; V107-V147 HydrophobicContact CG1-CG1 4.27Å; V107-V147 HydrophobicContact CG1-CG2 4.27Å; V107-I150 HydrophobicContact CG2-CG2 3.8Å; V107-F156 HydrophobicContact CG2-CD2 4.2Å; V107-F156 HydrophobicContact CG2-CE2 3.92Å
108D77.6Confident69.2Low63 Ų6369.7 Ų69.734%0.33737%0.37SS..  trans-88119.6-176.7-66.5-18.4000110.2Q106 L111 F124 D125Q106-D108 WeakPolarHBondContact CG-OD1 3.45Å; Q106-D108 PolarHBondContact NE2-OD1 2.61Å; Q106-D108 PolarHBondContact NE2-OD2 3.42Å; D108-L111 HydrophobicContact CB-CD1 4.04Å; D108-L111 WeakPolarHBondContact O-CD1 3.43Å; D108-F124 CarbonylContact O-C 3.56Å; D108-F124 WeakPolarHBondContact O-CA 3.41Å; D108-F124 WeakPolarHBondContact O-CB 3.4Å; D108-D125 PolarHBondContact N-O 3.12Å; D108-D125 PolarHBondContact O-N 3.26Å
109A78.8Confident67.5Low55 Ų5571.4 Ų71.446%0.45538%0.377SS..  trans-85.4152.9174.100000111.4V147A109-V147 HydrophobicContact CB-CG1 4.26Å; A109-V147 HydrophobicContact CB-CG2 4.05Å
110G62.7Low65.7Low36 Ų3677 Ų7737%0.37141%0.407SS..  trans68.239.4166.500000115.9T112 I123G110-T112 VanDerWaalsContact C-N 3.26Å; G110-T112 PolarHBondContact O-N 3.48Å; G110-I123 PolarHBondContact N-O 2.73Å
111L63.2Low64.9Low49 Ų4974.6 Ų74.626%0.25740%0.396SS..  trans-65.584.4169.7-76.8101.8000110.9D108 F113 I123 D125 Y134D108-L111 HydrophobicContact CB-CD1 4.04Å; D108-L111 WeakPolarHBondContact O-CD1 3.43Å; L111-F113 WeakPolarHBondContact O-CD2 3.5Å; L111-F113 PolarHBondContact O-N 3.46Å; L111-I123 HydrophobicContact CB-CB 4.24Å; L111-I123 HydrophobicContact CB-CG2 4.11Å; L111-I123 PolarHBondContact N-O 3.33Å; L111-D125 HydrophobicContact CD1-CB 4.05Å; L111-Y134 HydrophobicContact CD2-CD1 4.12Å; L111-Y134 HydrophobicContact CD2-CE1 3.78Å
112T48.5Very low64.7Low129 Ų12977.2 Ų77.279%0.79141%0.406SS*.  trans-69.697.1-177.145.10000112G110 N114G110-T112 VanDerWaalsContact C-N 3.26Å; G110-T112 PolarHBondContact O-N 3.48Å; T112-N114 PolarHBondContact O-N 3.1Å; T112-N114 VanDerWaalsContact O-N 3.12Å
113F52.4Low65.1Low80 Ų8072.1 Ų72.135%0.35138%0.379SS..  trans-75.8100.7167.9-81.7-96.9000109.6L111 K115 F118 I123L111-F113 WeakPolarHBondContact O-CD2 3.5Å; L111-F113 PolarHBondContact O-N 3.46Å; F113-K115 PolarHBondContact O-N 3.41Å; F113-F118 HydrophobicContact CB-CB 3.97Å; F113-F118 HydrophobicContact CB-CD2 3.62Å; F113-F118 HydrophobicContact CB-CE2 4.32Å; F113-F118 HydrophobicContact CB-CG 4.08Å; F113-F118 HydrophobicContact CG-CD2 4.22Å; F113-F118 HydrophobicContact CG-CE2 4.45Å; F113-I123 HydrophobicContact CD2-CD1 3.77Å; F113-I123 HydrophobicContact CE2-CD1 4.27Å
114N43.1Very low65.6Low162 Ų16268.6 Ų68.687%0.86636%0.36SS*.  trans-64.241.9-177.765.51.3000116.4T112T112-N114 PolarHBondContact O-N 3.1Å; T112-N114 VanDerWaalsContact O-N 3.12Å
115K48.2Very low65.9Low38 Ų3868.1 Ų68.117%0.16536%0.356CS..SBendtrans-131.1132.8174.4177.2167.9178.4-106.80110.2I58 F113 E117 F118I58-K115 HydrophobicContact CB-CD 4.18Å; I58-K115 HydrophobicContact CD1-CD 3.57Å; I58-K115 HydrophobicContact CG1-CD 4.47Å; I58-K115 HydrophobicContact CG2-CD 4.03Å; F113-K115 PolarHBondContact O-N 3.41Å; K115-E117 IonicContact NZ-OE1 3.88Å; K115-E117 PolarHBondContact NZ-OE1 2.81Å; K115-E117 IonicContact NZ-OE2 2.81Å; K115-E117 PolarHBondContact NZ-OE2 2.85Å; K115-E117 PolarHBondContact O-N 3.32Å; K115-F118 PolarHBondContact O-N 3.1Å
116K51.8Low66.3Low172 Ų17262 Ų6275%0.74833%0.328SS*.THydrogen-bonded Turntrans-44.312.8175.8-161.5146.5-172.31600120.6E119K116-E119 VanDerWaalsContact CA-CD 3.42Å; K116-E119 VanDerWaalsContact CA-OE1 3.28Å; K116-E119 WeakPolarHBondContact CA-OE1 3.48Å; K116-E119 WeakPolarHBondContact CB-OE1 3.38Å; K116-E119 WeakPolarHBondContact CG-OE2 3.49Å; K116-E119 PolarHBondContact N-OE1 3.38Å
117E56.2Low66.6Low66 Ų6659.5 Ų59.531%0.30832%0.317SS..THydrogen-bonded Turntrans-119.6-1170.3-67.2158.7-152.200111.5R55 I62 K115R55-E117 IonicContact NE-OE1 3.26Å; R55-E117 PolarHBondContact NE-OE1 2.83Å; R55-E117 IonicContact NH2-OE1 2.62Å; I62-E117 HydrophobicContact CD1-CB 3.85Å; I62-E117 VanDerWaalsContact CD1-OE2 3.25Å; I62-E117 WeakPolarHBondContact CD1-OE2 3.43Å; K115-E117 IonicContact NZ-OE1 3.88Å; K115-E117 PolarHBondContact NZ-OE1 2.81Å; K115-E117 IonicContact NZ-OE2 2.81Å; K115-E117 PolarHBondContact NZ-OE2 2.85Å; K115-E117 PolarHBondContact O-N 3.32Å
118F56.8Low66.6Low11 Ų1159.1 Ų59.15%0.04832%0.315CS..SBendtrans-134.16.5179.3-69.8-57.4000113.5I58 I62 F113 K115 N120 S121 I123I58-F118 HydrophobicContact CG2-CD2 4.31Å; I58-F118 HydrophobicContact CG2-CE2 3.72Å; I62-F118 HydrophobicContact CD1-CE1 4.34Å; I62-F118 HydrophobicContact CD1-CE2 4Å; I62-F118 HydrophobicContact CD1-CZ 3.9Å; I62-F118 HydrophobicContact CG1-CE1 3.87Å; I62-F118 HydrophobicContact CG1-CE2 3.89Å; I62-F118 HydrophobicContact CG1-CZ 3.34Å; F113-F118 HydrophobicContact CB-CB 3.97Å; F113-F118 HydrophobicContact CB-CD2 3.62Å; F113-F118 HydrophobicContact CB-CE2 4.32Å; F113-F118 HydrophobicContact CB-CG 4.08Å; F113-F118 HydrophobicContact CG-CD2 4.22Å; F113-F118 HydrophobicContact CG-CE2 4.45Å; K115-F118 PolarHBondContact O-N 3.1Å; F118-N120 PolarHBondContact O-N 2.72Å; F118-N120 VanDerWaalsContact O-N 3.12Å; F118-S121 WeakPolarHBondContact O-CB 3.39Å; F118-S121 PolarHBondContact O-N 3.28Å; F118-I123 HydrophobicContact CD1-CD1 4.04Å; F118-I123 HydrophobicContact CE1-CD1 4.07Å; F118-I123 HydrophobicContact CG-CD1 4.47Å
119E50.2Low66.7Low121 Ų12162 Ų6257%0.56533%0.329SS*.THydrogen-bonded Turntrans-57.8-27.4-179.2-77.5162.9-174.900112.9K116K116-E119 VanDerWaalsContact CA-CD 3.42Å; K116-E119 VanDerWaalsContact CA-OE1 3.28Å; K116-E119 WeakPolarHBondContact CA-OE1 3.48Å; K116-E119 WeakPolarHBondContact CB-OE1 3.38Å; K116-E119 WeakPolarHBondContact CG-OE2 3.49Å; K116-E119 PolarHBondContact N-OE1 3.38Å
120N49.6Very low66.6Low126 Ų12664.4 Ų64.467%0.67434%0.335SS*.THydrogen-bonded Turntrans-118.347.4171.3-55.144.8000110.1F118F118-N120 PolarHBondContact O-N 2.72Å; F118-N120 VanDerWaalsContact O-N 3.12Å
121S68.7Low67.5Low24 Ų2466.2 Ų66.217%0.16833%0.33CS..  trans-126.4113.6176.8-75.40000110.2F118 I123F118-S121 WeakPolarHBondContact O-CB 3.39Å; F118-S121 PolarHBondContact O-N 3.28Å; S121-I123 WeakPolarHBondContact O-CG1 3.26Å; S121-I123 PolarHBondContact O-N 2.85Å; S121-I123 VanDerWaalsContact O-N 3.09Å
122Y78.7Confident68.5Low58 Ų5866.5 Ų66.523%0.22733%0.331CS..EExtended strand (participates in β ladder)trans-90.787.3-168.5-53.6-79.7000108.2A137 S139 E140 M143Y122-A137 PolarHBondContact O-N 3.39Å; Y122-S139 VanDerWaalsContact CD2-CA 3.48Å; Y122-S139 WeakPolarHBondContact CD2-O 3.36Å; Y122-E140 HydrophobicContact CD1-CB 3.53Å; Y122-E140 HydrophobicContact CD1-CG 3.51Å; Y122-E140 HydrophobicContact CD2-CB 4.4Å; Y122-E140 VanDerWaalsContact CD2-N 3.26Å; Y122-E140 HydrophobicContact CE1-CB 3.37Å; Y122-E140 HydrophobicContact CE1-CG 3.6Å; Y122-E140 WeakPolarHBondContact CE1-OE2 3.39Å; Y122-E140 HydrophobicContact CE2-CB 4.28Å; Y122-E140 HydrophobicContact CG-CB 4.02Å; Y122-E140 HydrophobicContact CG-CG 4.3Å; Y122-M143 VanDerWaalsContact C-SD 3.59Å
123I84.1Confident70.2Confident1 Ų161.4 Ų61.41%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-93.1124.5-173.4-49.1-158.2000108.9W65 G110 L111 F113 F118 S121 L135 V136W65-I123 HydrophobicContact CH2-CD1 4.22Å; W65-I123 HydrophobicContact CH2-CG2 4.14Å; W65-I123 HydrophobicContact CZ2-CD1 4.34Å; G110-I123 PolarHBondContact N-O 2.73Å; L111-I123 HydrophobicContact CB-CB 4.24Å; L111-I123 HydrophobicContact CB-CG2 4.11Å; L111-I123 PolarHBondContact N-O 3.33Å; F113-I123 HydrophobicContact CD2-CD1 3.77Å; F113-I123 HydrophobicContact CE2-CD1 4.27Å; F118-I123 HydrophobicContact CD1-CD1 4.04Å; F118-I123 HydrophobicContact CE1-CD1 4.07Å; F118-I123 HydrophobicContact CG-CD1 4.47Å; S121-I123 WeakPolarHBondContact O-CG1 3.26Å; S121-I123 PolarHBondContact O-N 2.85Å; S121-I123 VanDerWaalsContact O-N 3.09Å; I123-L135 VanDerWaalsContact CA-O 3.3Å; I123-L135 WeakPolarHBondContact CA-O 3.43Å; I123-L135 WeakPolarHBondContact CG2-O 3.42Å; I123-V136 HydrophobicContact CB-CG2 4.49Å; I123-V136 HydrophobicContact CD1-CG2 3.65Å; I123-V136 HydrophobicContact CG1-CB 4.3Å; I123-V136 HydrophobicContact CG1-CG1 4.03Å; I123-V136 HydrophobicContact CG1-CG2 3.7Å; I123-V136 HydrophobicContact CG2-CG2 4.43Å
124F87.4Confident71.8Confident0 Ų060 Ų600%029%0.291CS..EExtended strand (participates in β ladder)trans-125.2161.3169.669-79.4000109.4L12 V107 D108 I126 L135 M143 W146 V147 I150L12-F124 HydrophobicContact CD1-CE1 3.97Å; L12-F124 HydrophobicContact CD1-CZ 3.58Å; L12-F124 HydrophobicContact CD2-CE1 4.13Å; V107-F124 HydrophobicContact CG1-CD2 4.45Å; D108-F124 CarbonylContact O-C 3.56Å; D108-F124 WeakPolarHBondContact O-CA 3.41Å; D108-F124 WeakPolarHBondContact O-CB 3.4Å; F124-I126 HydrophobicContact CD2-CG1 4.25Å; F124-I126 HydrophobicContact CE2-CD1 4.05Å; F124-I126 HydrophobicContact CE2-CG1 4.06Å; F124-L135 HydrophobicContact CD1-CB 4.21Å; F124-L135 HydrophobicContact CD2-CD1 4.29Å; F124-L135 HydrophobicContact CE1-CB 3.82Å; F124-L135 HydrophobicContact CE2-CB 4.36Å; F124-L135 HydrophobicContact CE2-CD1 3.94Å; F124-L135 HydrophobicContact CZ-CB 3.92Å; F124-L135 HydrophobicContact CZ-CD1 4.27Å; F124-L135 HydrophobicContact CZ-CD2 4.25Å; F124-L135 HydrophobicContact CZ-CG 4.37Å; F124-L135 PolarHBondContact N-O 3.03Å; F124-L135 PolarHBondContact O-N 3.44Å; F124-M143 HydrophobicContact CB-CG 4.11Å; F124-M143 HydrophobicContact CB-SD 4.28Å; F124-M143 HydrophobicContact CD1-CB 4.49Å; F124-M143 HydrophobicContact CD1-CG 3.85Å; F124-M143 HydrophobicContact CG-CG 4.29Å; F124-W146 HydrophobicContact CE1-CB 4.08Å; F124-W146 HydrophobicContact CE2-CB 4.25Å; F124-W146 HydrophobicContact CZ-CB 3.6Å; F124-W146 HydrophobicContact CZ-CG 4.12Å; F124-V147 HydrophobicContact CB-CG2 3.91Å; F124-V147 HydrophobicContact CD2-CG2 3.97Å; F124-V147 HydrophobicContact CG-CG2 3.98Å; F124-I150 HydrophobicContact CE2-CD1 4.08Å
125D86.4Confident74Confident7 Ų752.3 Ų52.34%0.03725%0.25CC..EExtended strand (participates in β ladder)trans-123.3160.8171.393.520.3000113.2V107 D108 L111 I132 F133 Y134V107-D125 WeakPolarHBondContact CA-O 3.5Å; V107-D125 WeakPolarHBondContact CG1-O 3.35Å; D108-D125 PolarHBondContact N-O 3.12Å; D108-D125 PolarHBondContact O-N 3.26Å; L111-D125 HydrophobicContact CD1-CB 4.05Å; D125-I132 HydrophobicContact CB-CG2 3.87Å; D125-I132 VanDerWaalsContact OD2-CG2 3.24Å; D125-I132 WeakPolarHBondContact OD2-CG2 3.2Å; D125-F133 CarbonylContact C-O 3.4Å; D125-F133 VanDerWaalsContact CA-O 3.27Å; D125-F133 WeakPolarHBondContact CA-O 3.36Å; D125-F133 WeakPolarHBondContact CB-O 3.41Å; D125-Y134 HydrophobicContact CB-CD1 3.45Å; D125-Y134 VanDerWaalsContact CB-CD1 3.45Å; D125-Y134 HydrophobicContact CB-CE1 3.68Å; D125-Y134 HydrophobicContact CB-CG 4.2Å; D125-Y134 WeakPolarHBondContact OD2-CE1 3.24Å
126I87.2Confident75.9Confident1 Ų150.6 Ų50.61%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-128.2105.5177.7-56.9174000105.7L84 C104 F124 T128 I132 F133 L135 I150L84-I126 HydrophobicContact CD2-CD1 3.36Å; C104-I126 VanDerWaalsContact SG-CG2 3.57Å; F124-I126 HydrophobicContact CD2-CG1 4.25Å; F124-I126 HydrophobicContact CE2-CD1 4.05Å; F124-I126 HydrophobicContact CE2-CG1 4.06Å; I126-T128 HydrophobicContact CG2-CG2 4.04Å; I126-I132 CarbonylContact O-C 3.59Å; I126-I132 WeakPolarHBondContact O-CA 3.3Å; I126-F133 HydrophobicContact CB-CB 4.49Å; I126-F133 PolarHBondContact N-O 3.17Å; I126-F133 PolarHBondContact O-N 2.81Å; I126-L135 HydrophobicContact CB-CD1 4.43Å; I126-L135 HydrophobicContact CD1-CD1 3.61Å; I126-L135 HydrophobicContact CD1-CD2 4.48Å; I126-L135 HydrophobicContact CG1-CD1 3.72Å; I126-I150 HydrophobicContact CD1-CD1 3.71Å; I126-I150 HydrophobicContact CG1-CD1 4.36Å
127N83.4Confident77.6Confident32 Ų3242.4 Ų42.417%0.17121%0.207CC..EExtended strand (participates in β ladder)trans-87.2105.9177.9-178.519.3000109.6Q105 Q106 I132Q105-N127 PolarHBondContact N-O 3.25Å; Q106-N127 HydrophobicContact CB-CB 4.06Å; Q106-N127 PolarHBondContact N-O 2.82Å; Q106-N127 WeakPolarHBondContact O-CB 3.36Å; Q106-N127 PolarHBondContact O-N 3.39Å; N127-I132 HydrophobicContact CB-CG1 4.05Å; N127-I132 WeakPolarHBondContact OD1-CG1 3.39Å
128T83.4Confident79Confident11 Ų1142.7 Ų42.77%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-107.7156.416981.10000111I99 L103 C104 I126 D130 R131 F133I99-T128 HydrophobicContact CG2-CG2 3.66Å; L103-T128 VanDerWaalsContact O-CA 3.3Å; L103-T128 WeakPolarHBondContact O-CA 3.32Å; L103-T128 VanDerWaalsContact O-CB 3.31Å; L103-T128 WeakPolarHBondContact O-CB 3.4Å; C104-T128 HydrophobicContact CB-CG2 4.44Å; I126-T128 HydrophobicContact CG2-CG2 4.04Å; T128-D130 PolarHBondContact O-N 2.79Å; T128-R131 PolarHBondContact N-O 2.84Å; T128-R131 VanDerWaalsContact N-O 3.15Å; T128-R131 CarbonylContact O-C 3.53Å; T128-R131 PolarHBondContact O-N 2.99Å; T128-R131 PolarHBondContact OG1-O 3.29Å; T128-F133 HydrophobicContact CG2-CE2 4.42Å
129I79.8Confident80.3Confident122 Ų12244 Ų4463%0.62622%0.222SC*.THydrogen-bonded Turntrans-49.5-24.9-176.367.8172.8000114.7L103L103-I129 HydrophobicContact CB-CD1 4.23Å; L103-I129 HydrophobicContact CB-CG1 4.19Å; L103-I129 HydrophobicContact CD1-CD1 4.06Å; L103-I129 HydrophobicContact CD2-CD1 4.16Å; L103-I129 HydrophobicContact CG-CD1 4.39Å; L103-I129 PolarHBondContact O-N 2.96Å
130D76.9Confident82Confident107 Ų10742.5 Ų42.557%0.57221%0.214SC*.THydrogen-bonded Turntrans-94.4-37.5-178-168.338.4000111.8T128T128-D130 PolarHBondContact O-N 2.79Å
131R81.1Confident83.9Confident74 Ų7442.6 Ų42.628%0.27921%0.211SC..EExtended strand (participates in β ladder)trans-163.5146-179-57-173.5-172.77436.6113.3T128 F133T128-R131 PolarHBondContact N-O 2.84Å; T128-R131 VanDerWaalsContact N-O 3.15Å; T128-R131 CarbonylContact O-C 3.53Å; T128-R131 PolarHBondContact O-N 2.99Å; T128-R131 PolarHBondContact OG1-O 3.29Å; R131-F133 HydrophobicContact CB-CE2 4.2Å; R131-F133 WeakPolarHBondContact O-CD2 3.32Å
132I84.3Confident84.8Confident54 Ų5443.3 Ų43.328%0.27721%0.211SC..EExtended strand (participates in β ladder)trans-72.3137.5155.5-55.9168.6000110.4D125 I126 N127 Y134D125-I132 HydrophobicContact CB-CG2 3.87Å; D125-I132 VanDerWaalsContact OD2-CG2 3.24Å; D125-I132 WeakPolarHBondContact OD2-CG2 3.2Å; I126-I132 CarbonylContact O-C 3.59Å; I126-I132 WeakPolarHBondContact O-CA 3.3Å; N127-I132 HydrophobicContact CB-CG1 4.05Å; N127-I132 WeakPolarHBondContact OD1-CG1 3.39Å; I132-Y134 HydrophobicContact CG2-CD2 4.43Å; I132-Y134 HydrophobicContact CG2-CE1 4.05Å; I132-Y134 HydrophobicContact CG2-CE2 3.88Å
133F85.5Confident85.3Confident23 Ų2341.1 Ų41.110%0.10120%0.203CC..EExtended strand (participates in β ladder)trans-118114.2171.4-63.5-99.5000110Y86 I99 D125 I126 T128 R131 L135Y86-F133 HydrophobicContact CE1-CE1 4.39Å; I99-F133 HydrophobicContact CD1-CD1 4.04Å; I99-F133 HydrophobicContact CD1-CD2 4.17Å; I99-F133 HydrophobicContact CD1-CE1 3.8Å; I99-F133 HydrophobicContact CD1-CE2 3.94Å; I99-F133 HydrophobicContact CD1-CG 4.21Å; I99-F133 HydrophobicContact CD1-CZ 3.74Å; I99-F133 HydrophobicContact CG1-CE1 4.36Å; I99-F133 HydrophobicContact CG1-CE2 4.26Å; I99-F133 HydrophobicContact CG1-CZ 3.94Å; I99-F133 HydrophobicContact CG2-CE2 4.14Å; D125-F133 CarbonylContact C-O 3.4Å; D125-F133 VanDerWaalsContact CA-O 3.27Å; D125-F133 WeakPolarHBondContact CA-O 3.36Å; D125-F133 WeakPolarHBondContact CB-O 3.41Å; I126-F133 HydrophobicContact CB-CB 4.49Å; I126-F133 PolarHBondContact N-O 3.17Å; I126-F133 PolarHBondContact O-N 2.81Å; T128-F133 HydrophobicContact CG2-CE2 4.42Å; R131-F133 HydrophobicContact CB-CE2 4.2Å; R131-F133 WeakPolarHBondContact O-CD2 3.32Å; F133-L135 HydrophobicContact CB-CD1 4.24Å; F133-L135 WeakPolarHBondContact O-CD1 3.36Å
134Y85.9Confident85.5Confident49 Ų4943.4 Ų43.419%0.19222%0.216CC..EExtended strand (participates in β ladder)trans-85132.2169.6-54.3-83.7000110.8S15 W65 L111 D125 I132S15-Y134 PolarHBondContact N-O 3.2Å; S15-Y134 WeakPolarHBondContact OG-CB 3.25Å; S15-Y134 PolarHBondContact OG-O 2.92Å; W65-Y134 WeakPolarHBondContact CZ3-O 3.15Å; L111-Y134 HydrophobicContact CD2-CD1 4.12Å; L111-Y134 HydrophobicContact CD2-CE1 3.78Å; D125-Y134 HydrophobicContact CB-CD1 3.45Å; D125-Y134 VanDerWaalsContact CB-CD1 3.45Å; D125-Y134 HydrophobicContact CB-CE1 3.68Å; D125-Y134 HydrophobicContact CB-CG 4.2Å; D125-Y134 WeakPolarHBondContact OD2-CE1 3.24Å; I132-Y134 HydrophobicContact CG2-CD2 4.43Å; I132-Y134 HydrophobicContact CG2-CE1 4.05Å; I132-Y134 HydrophobicContact CG2-CE2 3.88Å
135L88.3Confident85.7Confident2 Ų249.3 Ų49.31%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-126.8146.6177.9-53.795.2000109.7L12 R13 K14 F70 I123 F124 I126 F133L12-L135 HydrophobicContact CB-CD2 4.18Å; L12-L135 HydrophobicContact CD1-CB 4.31Å; L12-L135 HydrophobicContact CD1-CD2 3.51Å; R13-L135 CarbonylContact O-C 3.57Å; K14-L135 HydrophobicContact CB-CG 4.42Å; F70-L135 HydrophobicContact CD1-CD2 4.11Å; F70-L135 HydrophobicContact CE1-CD2 3.48Å; F70-L135 VanDerWaalsContact CE1-CD2 3.48Å; F70-L135 HydrophobicContact CE2-CD2 3.98Å; F70-L135 HydrophobicContact CZ-CD2 3.39Å; F70-L135 HydrophobicContact CZ-CG 4.47Å; I123-L135 VanDerWaalsContact CA-O 3.3Å; I123-L135 WeakPolarHBondContact CA-O 3.43Å; I123-L135 WeakPolarHBondContact CG2-O 3.42Å; F124-L135 HydrophobicContact CD1-CB 4.21Å; F124-L135 HydrophobicContact CD2-CD1 4.29Å; F124-L135 HydrophobicContact CE1-CB 3.82Å; F124-L135 HydrophobicContact CE2-CB 4.36Å; F124-L135 HydrophobicContact CE2-CD1 3.94Å; F124-L135 HydrophobicContact CZ-CB 3.92Å; F124-L135 HydrophobicContact CZ-CD1 4.27Å; F124-L135 HydrophobicContact CZ-CD2 4.25Å; F124-L135 HydrophobicContact CZ-CG 4.37Å; F124-L135 PolarHBondContact N-O 3.03Å; F124-L135 PolarHBondContact O-N 3.44Å; I126-L135 HydrophobicContact CB-CD1 4.43Å; I126-L135 HydrophobicContact CD1-CD1 3.61Å; I126-L135 HydrophobicContact CD1-CD2 4.48Å; I126-L135 HydrophobicContact CG1-CD1 3.72Å; F133-L135 HydrophobicContact CB-CD1 4.24Å; F133-L135 WeakPolarHBondContact O-CD1 3.36Å
136V87.7Confident85.9Confident1 Ų149.1 Ų49.11%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-116.6125.4168.5-168.50000107.6R13 W65 I123R13-V136 HydrophobicContact CB-CB 4.2Å; R13-V136 PolarHBondContact N-O 3.09Å; R13-V136 PolarHBondContact O-N 2.78Å; W65-V136 HydrophobicContact CD2-CG2 4.2Å; W65-V136 HydrophobicContact CE3-CG2 3.63Å; W65-V136 HydrophobicContact CH2-CG2 3.65Å; W65-V136 HydrophobicContact CZ2-CG2 4.2Å; W65-V136 HydrophobicContact CZ3-CG2 3.34Å; I123-V136 HydrophobicContact CB-CG2 4.49Å; I123-V136 HydrophobicContact CD1-CG2 3.65Å; I123-V136 HydrophobicContact CG1-CB 4.3Å; I123-V136 HydrophobicContact CG1-CG1 4.03Å; I123-V136 HydrophobicContact CG1-CG2 3.7Å; I123-V136 HydrophobicContact CG2-CG2 4.43Å
137A88.3Confident86Confident1 Ų150 Ų501%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-82.4151.5163.600000110.2L12 Y122 S139 E142 M143L12-A137 HydrophobicContact CD2-CB 3.78Å; Y122-A137 PolarHBondContact O-N 3.39Å; A137-S139 VanDerWaalsContact C-N 3.3Å; A137-S139 WeakPolarHBondContact CB-O 3.46Å; A137-E142 HydrophobicContact CB-CB 3.93Å; A137-E142 HydrophobicContact CB-CG 3.71Å; A137-M143 HydrophobicContact CB-CB 3.89Å
138D84.6Confident86.2Confident71 Ų7156.6 Ų56.638%0.3827%0.268SS..SBendtrans-84-6.1-179.9-66.4-38.1000112.1R13 R67 E142R13-D138 WeakPolarHBondContact CD-OD1 3.39Å; R67-D138 IonicContact CZ-OD2 2.67Å; R67-D138 VanDerWaalsContact CZ-OD2 3.25Å; R67-D138 IonicContact NE-OD2 3.25Å; R67-D138 PolarHBondContact NE-OD2 2.78Å; R67-D138 IonicContact NH2-OD2 2.62Å; R67-D138 PolarHBondContact NH2-OD2 2.83Å; D138-E142 PolarHBondContact N-OE2 3.25Å
139S85.6Confident86.4Confident40 Ų4056.9 Ų56.928%0.2827%0.27SS..SBendtrans-145.9168.5168.886.80000113.2Y122 A137 E141 E142 M143Y122-S139 VanDerWaalsContact CD2-CA 3.48Å; Y122-S139 WeakPolarHBondContact CD2-O 3.36Å; A137-S139 VanDerWaalsContact C-N 3.3Å; A137-S139 WeakPolarHBondContact CB-O 3.46Å; S139-E141 WeakPolarHBondContact CB-OE2 3.45Å; S139-E141 PolarHBondContact OG-OE2 3.14Å; S139-E142 PolarHBondContact OG-N 3.03Å; S139-M143 PolarHBondContact O-N 2.92Å; S139-M143 VanDerWaalsContact O-N 3.12Å
140E86Confident86.8Confident88 Ų8851.1 Ų51.141%0.41124%0.241SC..Hα-helixtrans-72.7-40.4-178.2-159.8178132.300111.6Y122 E142 M143 N144Y122-E140 HydrophobicContact CD1-CB 3.53Å; Y122-E140 HydrophobicContact CD1-CG 3.51Å; Y122-E140 HydrophobicContact CD2-CB 4.4Å; Y122-E140 VanDerWaalsContact CD2-N 3.26Å; Y122-E140 HydrophobicContact CE1-CB 3.37Å; Y122-E140 HydrophobicContact CE1-CG 3.6Å; Y122-E140 WeakPolarHBondContact CE1-OE2 3.39Å; Y122-E140 HydrophobicContact CE2-CB 4.28Å; Y122-E140 HydrophobicContact CG-CB 4.02Å; Y122-E140 HydrophobicContact CG-CG 4.3Å; E140-E142 VanDerWaalsContact C-N 3.26Å; E140-E142 PolarHBondContact O-N 2.89Å; E140-M143 HydrophobicContact CG-CE 4.22Å; E140-M143 WeakPolarHBondContact O-CB 3.16Å; E140-M143 PolarHBondContact O-N 3.08Å; E140-M143 VanDerWaalsContact O-N 3.09Å; E140-N144 WeakPolarHBondContact O-CB 3.26Å; E140-N144 PolarHBondContact O-N 2.98Å; E140-N144 PolarHBondContact OE1-ND2 3.13Å
141E87.8Confident87.3Confident128 Ų12846.9 Ų46.960%0.59822%0.219SC*.Hα-helixtrans-65.9-34.5178.4-39.770.3-147.600109.6S139 K145S139-E141 WeakPolarHBondContact CB-OE2 3.45Å; S139-E141 PolarHBondContact OG-OE2 3.14Å; E141-K145 WeakPolarHBondContact O-CB 3.24Å; E141-K145 PolarHBondContact O-N 3.18Å
142E89.4Confident87.5Confident40 Ų4048.1 Ų48.119%0.18723%0.232CC..Hα-helixtrans-63.7-48.9168.5179.4177-141.500110.9L12 A137 D138 S139 E140 K145 W146L12-E142 HydrophobicContact CD2-CG 4.26Å; A137-E142 HydrophobicContact CB-CB 3.93Å; A137-E142 HydrophobicContact CB-CG 3.71Å; D138-E142 PolarHBondContact N-OE2 3.25Å; S139-E142 PolarHBondContact OG-N 3.03Å; E140-E142 VanDerWaalsContact C-N 3.26Å; E140-E142 PolarHBondContact O-N 2.89Å; E142-K145 PolarHBondContact O-N 2.52Å; E142-W146 VanDerWaalsContact CG-CD1 3.45Å; E142-W146 PolarHBondContact O-N 2.74Å; E142-W146 PolarHBondContact OE1-NE1 2.85Å
143M87.8Confident87.5Confident11 Ų1146 Ų465%0.05422%0.221CC..Hα-helixtrans-57.6-52.9176.4176.9-177.67400111.6Y122 F124 A137 S139 E140 K145 W146 V147Y122-M143 VanDerWaalsContact C-SD 3.59Å; F124-M143 HydrophobicContact CB-CG 4.11Å; F124-M143 HydrophobicContact CB-SD 4.28Å; F124-M143 HydrophobicContact CD1-CB 4.49Å; F124-M143 HydrophobicContact CD1-CG 3.85Å; F124-M143 HydrophobicContact CG-CG 4.29Å; A137-M143 HydrophobicContact CB-CB 3.89Å; S139-M143 PolarHBondContact O-N 2.92Å; S139-M143 VanDerWaalsContact O-N 3.12Å; E140-M143 HydrophobicContact CG-CE 4.22Å; E140-M143 WeakPolarHBondContact O-CB 3.16Å; E140-M143 PolarHBondContact O-N 3.08Å; E140-M143 VanDerWaalsContact O-N 3.09Å; M143-K145 VanDerWaalsContact C-N 3.29Å; M143-K145 PolarHBondContact O-N 2.96Å; M143-W146 PolarHBondContact O-N 2.84Å; M143-W146 VanDerWaalsContact O-N 3.11Å; M143-V147 HydrophobicContact CG-CG2 4.23Å; M143-V147 WeakPolarHBondContact O-CG2 3.38Å; M143-V147 PolarHBondContact O-N 2.88Å
144N89.3Confident87.2Confident50 Ų5046.6 Ų46.627%0.26723%0.227SC..Hα-helixtrans-63.1-36.7-177.1-71.6-20.6000111.1E140 R148E140-N144 WeakPolarHBondContact O-CB 3.26Å; E140-N144 PolarHBondContact O-N 2.98Å; E140-N144 PolarHBondContact OE1-ND2 3.13Å; N144-R148 VanDerWaalsContact O-CB 3.26Å; N144-R148 WeakPolarHBondContact O-CB 3.36Å; N144-R148 WeakPolarHBondContact O-CG 3.36Å; N144-R148 PolarHBondContact O-N 3.17Å
145K91.1Very high86.6Confident123 Ų12346.6 Ų46.654%0.53524%0.242SC..Hα-helixtrans-64.2-45.7170.9-179.8176.4-178.41730112.4E141 E142 M143 C149E141-K145 WeakPolarHBondContact O-CB 3.24Å; E141-K145 PolarHBondContact O-N 3.18Å; E142-K145 PolarHBondContact O-N 2.52Å; M143-K145 VanDerWaalsContact C-N 3.29Å; M143-K145 PolarHBondContact O-N 2.96Å; K145-C149 WeakPolarHBondContact O-CB 3.27Å; K145-C149 PolarHBondContact O-N 2.92Å; K145-C149 PolarHBondContact O-SG 2.86Å
146W90.6Very high85.7Confident3 Ų349.4 Ų49.41%0.01125%0.254CS..Hα-helixtrans-64.6-45.4177.8-83.4106.5000112.3C8 L12 F70 L72 L84 F124 E142 M143 I150C8-W146 HydrophobicContact CB-CE3 4.3Å; C8-W146 HydrophobicContact CB-CH2 4.37Å; C8-W146 HydrophobicContact CB-CZ3 4.13Å; L12-W146 HydrophobicContact CD1-CD2 3.76Å; L12-W146 HydrophobicContact CD1-CE3 4.28Å; L12-W146 HydrophobicContact CD1-CG 3.96Å; L12-W146 HydrophobicContact CD1-CZ2 4.16Å; L12-W146 HydrophobicContact CD2-CG 4.38Å; L12-W146 HydrophobicContact CG-CD2 4.44Å; L12-W146 HydrophobicContact CG-CZ2 4.3Å; F70-W146 HydrophobicContact CB-CH2 3.46Å; F70-W146 VanDerWaalsContact CB-CH2 3.46Å; F70-W146 HydrophobicContact CB-CZ2 3.91Å; F70-W146 HydrophobicContact CB-CZ3 4.13Å; L72-W146 HydrophobicContact CB-CZ3 3.95Å; L84-W146 HydrophobicContact CD1-CH2 4.45Å; L84-W146 HydrophobicContact CD1-CZ3 3.73Å; F124-W146 HydrophobicContact CE1-CB 4.08Å; F124-W146 HydrophobicContact CE2-CB 4.25Å; F124-W146 HydrophobicContact CZ-CB 3.6Å; F124-W146 HydrophobicContact CZ-CG 4.12Å; E142-W146 VanDerWaalsContact CG-CD1 3.45Å; E142-W146 PolarHBondContact O-N 2.74Å; E142-W146 PolarHBondContact OE1-NE1 2.85Å; M143-W146 PolarHBondContact O-N 2.84Å; M143-W146 VanDerWaalsContact O-N 3.11Å; W146-I150 HydrophobicContact CE3-CD1 4.39Å; W146-I150 WeakPolarHBondContact O-CB 3.03Å; W146-I150 WeakPolarHBondContact O-CD1 2.93Å; W146-I150 WeakPolarHBondContact O-CG1 2.93Å; W146-I150 PolarHBondContact O-N 2.85Å
147V88.9Confident83.8Confident19 Ų1955.9 Ų55.912%0.11529%0.289CS..Hα-helixtrans-60.5-52.3176.6172.30000109.9V107 A109 F124 M143 C149 I150 C151V107-V147 HydrophobicContact CG1-CG1 4.27Å; V107-V147 HydrophobicContact CG1-CG2 4.27Å; A109-V147 HydrophobicContact CB-CG1 4.26Å; A109-V147 HydrophobicContact CB-CG2 4.05Å; F124-V147 HydrophobicContact CB-CG2 3.91Å; F124-V147 HydrophobicContact CD2-CG2 3.97Å; F124-V147 HydrophobicContact CG-CG2 3.98Å; M143-V147 HydrophobicContact CG-CG2 4.23Å; M143-V147 WeakPolarHBondContact O-CG2 3.38Å; M143-V147 PolarHBondContact O-N 2.88Å; V147-C149 PolarHBondContact O-N 2.9Å; V147-I150 PolarHBondContact O-N 3.07Å; V147-C151 WeakPolarHBondContact O-CB 3.5Å; V147-C151 PolarHBondContact O-N 2.92Å; V147-C151 PolarHBondContact O-SG 3.49Å
148R87.9Confident82.2Confident171 Ų17161.6 Ų61.665%0.64533%0.326SS*.Hα-helixtrans-53.5-57.9177-74.3172.6-172.3-165.43.1111.4N144 I150 C151 D152N144-R148 VanDerWaalsContact O-CB 3.26Å; N144-R148 WeakPolarHBondContact O-CB 3.36Å; N144-R148 WeakPolarHBondContact O-CG 3.36Å; N144-R148 PolarHBondContact O-N 3.17Å; R148-I150 PolarHBondContact O-N 2.82Å; R148-I150 VanDerWaalsContact O-N 3.1Å; R148-C151 CarbonylContact O-C 3.54Å; R148-C151 PolarHBondContact O-N 3.02Å; R148-D152 VanDerWaalsContact C-OD2 3.29Å; R148-D152 WeakPolarHBondContact O-CB 3.29Å; R148-D152 PolarHBondContact O-N 3.03Å; R148-D152 VanDerWaalsContact O-OD2 3.07Å
149C88.3Confident80.3Confident18 Ų1863.9 Ų63.912%0.12234%0.342CS..Hα-helixtrans-60.7-27.9-178.2-62.90000113.9V7 C8 L72 K145 V147 D152 I153V7-C149 HydrophobicContact CG1-CB 4.06Å; C8-C149 HydrophobicContact CB-CB 4.2Å; L72-C149 HydrophobicContact CD2-CB 3.5Å; L72-C149 VanDerWaalsContact CD2-CB 3.5Å; K145-C149 WeakPolarHBondContact O-CB 3.27Å; K145-C149 PolarHBondContact O-N 2.92Å; K145-C149 PolarHBondContact O-SG 2.86Å; V147-C149 PolarHBondContact O-N 2.9Å; C149-D152 WeakPolarHBondContact CA-OD2 3.23Å; C149-I153 WeakPolarHBondContact O-CB 3.36Å; C149-I153 WeakPolarHBondContact O-CD1 3.4Å; C149-I153 VanDerWaalsContact O-CG1 3.25Å; C149-I153 WeakPolarHBondContact O-CG1 3.44Å; C149-I153 PolarHBondContact O-N 3.09Å
150I87.8Confident77.9Confident0 Ų070.6 Ų70.60%037%0.369CS..Hα-helixtrans-77.1-42.4173.7-64.9163.8000110.6L72 L84 L101 V107 F124 I126 W146 V147 R148 I153 C154L72-I150 HydrophobicContact CD1-CG1 4.33Å; L72-I150 HydrophobicContact CD2-CG1 4.15Å; L84-I150 HydrophobicContact CD2-CD1 4.24Å; L101-I150 HydrophobicContact CD2-CG2 4.14Å; V107-I150 HydrophobicContact CG2-CG2 3.8Å; F124-I150 HydrophobicContact CE2-CD1 4.08Å; I126-I150 HydrophobicContact CD1-CD1 3.71Å; I126-I150 HydrophobicContact CG1-CD1 4.36Å; W146-I150 HydrophobicContact CE3-CD1 4.39Å; W146-I150 WeakPolarHBondContact O-CB 3.03Å; W146-I150 WeakPolarHBondContact O-CD1 2.93Å; W146-I150 WeakPolarHBondContact O-CG1 2.93Å; W146-I150 PolarHBondContact O-N 2.85Å; V147-I150 PolarHBondContact O-N 3.07Å; R148-I150 PolarHBondContact O-N 2.82Å; R148-I150 VanDerWaalsContact O-N 3.1Å; I150-I153 PolarHBondContact O-N 3Å; I150-C154 WeakPolarHBondContact O-CB 3.5Å; I150-C154 PolarHBondContact O-N 3.48Å; I150-C154 PolarHBondContact O-SG 3.49Å
151C86.3Confident75.6Confident19 Ų1974.9 Ų74.913%0.12839%0.39CS..Hα-helixtrans-63.2-46.5176.4-70.40000112.1V147 R148 I153 C154 G155 F156V147-C151 WeakPolarHBondContact O-CB 3.5Å; V147-C151 PolarHBondContact O-N 2.92Å; V147-C151 PolarHBondContact O-SG 3.49Å; R148-C151 CarbonylContact O-C 3.54Å; R148-C151 PolarHBondContact O-N 3.02Å; C151-I153 PolarHBondContact O-N 2.84Å; C151-C154 PolarHBondContact O-N 2.92Å; C151-G155 WeakPolarHBondContact O-CA 3.34Å; C151-G155 PolarHBondContact O-N 3.4Å; C151-F156 HydrophobicContact CB-CB 4.02Å; C151-F156 PolarHBondContact O-N 3.04Å
152D85.6Confident73.1Confident100 Ų10075.4 Ų75.454%0.53540%0.396SS..Hα-helixtrans-51.1-45.1175.2-61.6-30000111R76 R148 C149R76-D152 PolarHBondContact NH1-O 3.1Å; R76-D152 PolarHBondContact NH2-O 3.18Å; R148-D152 VanDerWaalsContact C-OD2 3.29Å; R148-D152 WeakPolarHBondContact O-CB 3.29Å; R148-D152 PolarHBondContact O-N 3.03Å; R148-D152 VanDerWaalsContact O-OD2 3.07Å; C149-D152 WeakPolarHBondContact CA-OD2 3.23Å
153I84.2Confident71.1Confident9 Ų979.1 Ų79.15%0.04642%0.424CS..Hα-helixtrans-76.5-45.2-178.5-73.8175.9000112.1V7 L72 R76 D82 L101 C149 I150 C151 G155V7-I153 HydrophobicContact CB-CD1 4.12Å; V7-I153 HydrophobicContact CG1-CD1 4.3Å; V7-I153 HydrophobicContact CG2-CD1 4.12Å; L72-I153 HydrophobicContact CD1-CD1 3.81Å; L72-I153 HydrophobicContact CD2-CD1 3.85Å; L72-I153 HydrophobicContact CG-CD1 3.68Å; R76-I153 VanDerWaalsContact CZ-O 3.32Å; R76-I153 PolarHBondContact NE-O 3.2Å; R76-I153 VanDerWaalsContact NH2-C 3.35Å; R76-I153 PolarHBondContact NH2-O 2.83Å; D82-I153 HydrophobicContact CB-CG2 3.47Å; D82-I153 VanDerWaalsContact CB-CG2 3.47Å; D82-I153 VanDerWaalsContact CG-CG2 3.44Å; L101-I153 HydrophobicContact CD1-CG2 3.99Å; C149-I153 WeakPolarHBondContact O-CB 3.36Å; C149-I153 WeakPolarHBondContact O-CD1 3.4Å; C149-I153 VanDerWaalsContact O-CG1 3.25Å; C149-I153 WeakPolarHBondContact O-CG1 3.44Å; C149-I153 PolarHBondContact O-N 3.09Å; I150-I153 PolarHBondContact O-N 3Å; C151-I153 PolarHBondContact O-N 2.84Å; I153-G155 PolarHBondContact O-N 2.78Å
154C80.1Confident69Low36 Ų3684.6 Ų84.624%0.24346%0.458CS..Hα-helixtrans-70.9-17.8178-62.40000113I150 C151 F156I150-C154 WeakPolarHBondContact O-CB 3.5Å; I150-C154 PolarHBondContact O-N 3.48Å; I150-C154 PolarHBondContact O-SG 3.49Å; C151-C154 PolarHBondContact O-N 2.92Å; C154-F156 VanDerWaalsContact C-N 3.34Å; C154-F156 HydrophobicContact CB-CD2 3.39Å; C154-F156 HydrophobicContact CB-CE2 3.32Å; C154-F156 HydrophobicContact CB-CG 4.12Å; C154-F156 HydrophobicContact CB-CZ 4.01Å
155G72.4Confident66.1Low48 Ų4891 Ų9150%0.49548%0.483SS..THydrogen-bonded Turntrans76.721.6-171.700000113.2C151 I153 N157C151-G155 WeakPolarHBondContact O-CA 3.34Å; C151-G155 PolarHBondContact O-N 3.4Å; I153-G155 PolarHBondContact O-N 2.78Å; G155-N157 PolarHBondContact O-N 3.22Å
156F69Low64Low62 Ų6291.1 Ų91.127%0.27250%0.496SS..  trans-73.7104.2168.1-61.1-53.9000108.1C104 Q105 V107 C151 C154C104-F156 HydrophobicContact CB-CE2 4.33Å; C104-F156 HydrophobicContact CB-CZ 4.43Å; Q105-F156 VanDerWaalsContact C-CZ 3.45Å; Q105-F156 WeakPolarHBondContact O-CE1 3.2Å; Q105-F156 WeakPolarHBondContact O-CZ 3.43Å; V107-F156 HydrophobicContact CG2-CD2 4.2Å; V107-F156 HydrophobicContact CG2-CE2 3.92Å; C151-F156 HydrophobicContact CB-CB 4.02Å; C151-F156 PolarHBondContact O-N 3.04Å; C154-F156 VanDerWaalsContact C-N 3.34Å; C154-F156 HydrophobicContact CB-CD2 3.39Å; C154-F156 HydrophobicContact CB-CE2 3.32Å; C154-F156 HydrophobicContact CB-CG 4.12Å; C154-F156 HydrophobicContact CB-CZ 4.01Å
157N49.5Very low61.6Low136 Ų13697 Ų9773%0.72754%0.535SS*.  trans-54.9134.6159.1-73.2-42.5000107.7G155 T159G155-N157 PolarHBondContact O-N 3.22Å; N157-T159 VanDerWaalsContact C-N 3.32Å; N157-T159 PolarHBondContact O-N 3.41Å; N157-T159 PolarHBondContact O-OG1 2.83Å
158P54Low58.8Low122 Ų12299.6 Ų99.679%0.79257%0.565SS**  trans-61.7100.6173.726.7-33000107.5E160P158-E160 PolarHBondContact O-N 3.05Å
159T44.2Very low56Low118 Ų11897.4 Ų97.472%0.72458%0.577SS**  trans-75.1112.6-178.6-56.40000106.4N157 E161N157-T159 VanDerWaalsContact C-N 3.32Å; N157-T159 PolarHBondContact O-N 3.41Å; N157-T159 PolarHBondContact O-OG1 2.83Å; T159-E161 VanDerWaalsContact C-N 3.32Å; T159-E161 PolarHBondContact O-N 3.06Å
160E36.7Very low53.3Low182 Ų182101.6 Ų101.685%0.8561%0.606SS**  trans-59.394.2167.556.4-155.1152.800108.9P158 D162P158-E160 PolarHBondContact O-N 3.05Å; E160-D162 PolarHBondContact O-N 3.37Å
161E37.8Very low50.6Low178 Ų178108.6 Ų108.683%0.83264%0.643SS**  trans-71.284.5170.3-76.8-142.5133.600109.1T159 P163T159-E161 VanDerWaalsContact C-N 3.32Å; T159-E161 PolarHBondContact O-N 3.06Å; E161-P163 VanDerWaalsContact O-CD 3.32Å; E161-P163 WeakPolarHBondContact O-CD 3.39Å
162D35.3Very low47.9Very low138 Ų138116.8 Ų116.874%0.73868%0.679SS**  trans-55114.4162.5-177.63000108.8E160 V164E160-D162 PolarHBondContact O-N 3.37Å; D162-V164 VanDerWaalsContact C-N 3.27Å; D162-V164 PolarHBondContact O-N 2.85Å
163P47.1Very low45Very low118 Ų118116.2 Ų116.277%0.76669%0.688SS**SBendtrans-82.762-165.634.2-37.3000112.9E161E161-P163 VanDerWaalsContact O-CD 3.32Å; E161-P163 WeakPolarHBondContact O-CD 3.39Å
164V42.8Very low43.1Very low126 Ų126121.5 Ų121.576%0.76472%0.723SS**SBendtrans-168.5141150130.70000114.3D162D162-V164 VanDerWaalsContact C-N 3.27Å; D162-V164 PolarHBondContact O-N 2.85Å
165K29.6Very low40.7Very low186 Ų186123.9 Ų123.981%0.80975%0.745SS**  trans95.3117.8155.1-146.5172.5-171175.70119
166P46.6Very low38.5Very low124 Ų124129 Ų12981%0.80576%0.761SS**  trans-88.5140.617134.8-33.3000113.3
167P38.7Very low36.6Very low126 Ų126133.6 Ų133.682%0.81879%0.788SS**  -127.6171.2126.818.80.9000110.5
168G30Very low36.9Very low74 Ų74132.3 Ų132.376%0.76379%0.787SS**  cis126.6114.311.800000109.3
169S30.6Very low35.6Very low126 Ų126134.3 Ų134.388%0.88179%0.79SS**  trans-73.7129.9-161-65.50000117.6
170S30.7Very low34.8Very low106 Ų106132.6 Ų132.674%0.74179%0.788SS**  78.6160.6127.5-150.90000122
171L32.5Very low34.4Very low146 Ų146132.1 Ų132.176%0.76479%0.789SS**  trans79.190.8164.5-53.7-177000121.2
172Q29.1Very low33.9Very low192 Ų192130.6 Ų130.690%0.89779%0.787SS**  48.3139.3109.7-145.1161.711.800122.5
173A24.3Very low33.6Very low87 Ų87130.7 Ų130.772%0.71979%0.793SS**  trans-83.3-167.1175.900000112.9
174P43.3Very low32.9Very low120 Ų120129.4 Ų129.478%0.77979%0.792SS**  cis-145.8-169.8745.7-25.3000118.4
175A29.9Very low32.8Very low86 Ų86129 Ų12971%0.71179%0.792SS**  trans70.716315600000118.9
176D27.1Very low33.4Very low156 Ų156125.7 Ų125.783%0.83479%0.789SS**  cis-155.6178.713-136.7-35.6000114
177L29.3Very low32.5Very low158 Ų158125 Ų12583%0.82779%0.788SS**  trans-119.5-155.1173.7-73.9171.4000110.6
178P54.6Low32.1Very low109 Ų109125.1 Ų125.171%0.70879%0.786SS**  cis-130.4-174.2-29.227.7-4.8000114.5
179L26.9Very low32.2Very low165 Ų165130.9 Ų130.986%0.86479%0.794SS**  trans162.5133.9142.6-90.7164000110.1
180A27.4Very low32.1Very low82 Ų82129 Ų12968%0.67879%0.785SS**  cis99.3108-0.300000119.4
181I28.8Very low31.8Very low171 Ų171131.3 Ų131.388%0.87779%0.789SS**  trans-160.1157.1159.6-105.4159.8000110.4
182N27.3Very low31.8Very low147 Ų147130.2 Ų130.279%0.78679%0.794SS**  trans-126.8171.5-168-63.3-88.1000113.6
183T29.8Very low31.7Very low139 Ų139126.5 Ų126.585%0.85379%0.789SS**  172.4128.1126.9-70.30000116.1
184A30.7Very low32Very low92 Ų92127.8 Ų127.876%0.7679%0.793SS**  trans4.2159.1159.400000127.2
185P42.6Very low31.5Very low118 Ų118126.5 Ų126.577%0.76679%0.793SS**  trans-108.7-174.6-179.145.6-37.8000115.2
186P40.5Very low31.3Very low115 Ų115128.7 Ų128.775%0.74780%0.797SS**  -153.5158.892.640.4-21.9000119
187S28.2Very low31.3Very low110 Ų110129 Ų12977%0.76980%0.798SS**  trans27.3139.1141.7-57.20000123
188T31.3Very low31.8Very low129 Ų129126.7 Ų126.779%0.79179%0.792SS**  cis-162.5137.1-0.842.20000111.1
189Q30.4Very low31Very low195 Ų195127 Ų12791%0.91179%0.794SS**  trans-175.2147.4140.3-110179.219.600112.6
190A28.8Very low31.5Very low85 Ų85123.8 Ų123.870%0.70278%0.783SS**  trans42.6115.8161.600000121.9
191D24.1Very low31.3Very low156 Ų156129.8 Ų129.883%0.83479%0.79SS**SBendtrans66145.4144.7-57.2-25.7000123.4
192S33Very low31.2Very low123 Ų123129.6 Ų129.686%0.8679%0.785SS**  trans65.473.8161.6-53.10000117.9S194S192-S194 PolarHBondContact O-N 3.47Å
193S27.4Very low31.1Very low114 Ų114129.3 Ų129.380%0.79778%0.783SS**  trans-78.796.7-174.6570000116.1
194S29.8Very low31Very low113 Ų113129.7 Ų129.779%0.7978%0.778SS**  35.6139.3128.462.90000122.6S192S192-S194 PolarHBondContact O-N 3.47Å
195A33.7Very low30.8Very low94 Ų94131.7 Ų131.778%0.77778%0.776SS**  trans-96.2168.8168.500000114
196T24.9Very low30.2Very low132 Ų132132.8 Ų132.881%0.8178%0.78SS**  trans132.6116.7150-560000115.4
197L28.3Very low30.1Very low162 Ų162132.7 Ų132.785%0.84878%0.78SS**  trans26.8152149.9-65172.9000124.6
198P38.8Very low30.8Very low109 Ų109132.9 Ų132.971%0.70878%0.778SS**  trans-92.9173.9-172.744.4-41.3000112.8
199P38.6Very low30.8Very low115 Ų115135.2 Ų135.275%0.74778%0.78SS**  -155.5-155.568.143.8-20.7000114.2
200P37.1Very low30.8Very low98 Ų98131.8 Ų131.864%0.63677%0.767SS**  cis-129.3176.6-40.826.2-4.7000115.6
201Y22.7Very low30.6Very low209 Ų209135.4 Ų135.482%0.8277%0.77SS**  trans77.7124.1150.5-70.5-53.7000124.4
202Q27.8Very low30.8Very low167 Ų167133.2 Ų133.278%0.7876%0.762SS**  trans86.7107.3142.1-73.9-171.652.600123.3
203L25.6Very low30.7Very low141 Ų141135.7 Ų135.774%0.73877%0.765SS**  60.6115.7124.9-101.5169.9000121.6
204I26.7Very low30.6Very low146 Ų146134.1 Ų134.175%0.74977%0.766SS**  167.7119.5117.1-87.7161.1000114.5
205N26.1Very low30.5Very low134 Ų134136.8 Ų136.872%0.71777%0.77SS**  trans57.5134.4142.4-62.56.8000127.4
206V30.4Very low30.2Very low141 Ų141140.6 Ų140.686%0.85577%0.772SS**  trans70.7157.5151.4-82.30000121.6
207P37.4Very low30.3Very low113 Ų113142.1 Ų142.173%0.73477%0.77SS**  trans-133.7-140.7-141.847.6-27.4000112.4
208P44.8Very low30.4Very low114 Ų114141.1 Ų141.174%0.7477%0.765SS**  cis-123.5160.7-40.535-20.5000113.6
209H29.6Very low30.8Very low178 Ų178140 Ų14082%0.82476%0.758SS**  trans-160.1165.6146.7-152.8-101.4000113.2
210L30.9Very low30.4Very low123 Ų123142.8 Ų142.864%0.64476%0.761SS**  trans-55.3159.8167.9-86.855.7000111.7
211E25.8Very low30.4Very low162 Ų162144.8 Ų144.876%0.75777%0.767SS**  cis-165.4170.833.8-145154.2-146.600114.2
212T27.6Very low31.1Very low110 Ų110146.1 Ų146.168%0.67577%0.772SS**  trans80.599.9155.2-50.10000121.5
213L29.8Very low32.4Very low174 Ų174145.1 Ų145.191%0.91177%0.771SS**  trans47.6122.4138.5-54.1175.3000122.1
214G25.5Very low33.2Very low81 Ų81145.7 Ų145.784%0.83577%0.774SS**  trans166.993.6161.200000116.4
215I28.8Very low34.2Very low169 Ų169146.1 Ų146.187%0.86778%0.777SS**  trans-65.3147.3173-63.8167.1000110.7
216Q27.6Very low34.6Very low174 Ų174146 Ų14681%0.81378%0.775SS**  cis-166.3148-24.2170.9171.3-7.900107.6
217E26.2Very low34.8Very low165 Ų165146.4 Ų146.477%0.77177%0.772SS**  trans-103.7147.5173.4-173-170.2170.700111.1
218D31.1Very low34.6Very low141 Ų141146.8 Ų146.875%0.75478%0.776SS**  trans-169.3138.5131.2-172.475.8000111Q220D218-Q220 PolarHBondContact OD2-N 3.38Å
219P47.6Very low33.9Very low86 Ų86150.1 Ų150.156%0.55878%0.782SS**  trans-145.4133.4140.834.3-16.9000116.2
220Q29.6Very low34.1Very low173 Ų173146.8 Ų146.881%0.80878%0.779SS**  trans98.1128.7146.3-64.2160.826.300119.9D218D218-Q220 PolarHBondContact OD2-N 3.38Å
221D37.1Very low34.2Very low140 Ų140150.5 Ų150.575%0.74979%0.79SS**  trans-57.7146.2168.8-58-92.6000113.9
222Y37.3Very low34.9Very low236 Ų236150.2 Ų150.293%0.92579%0.786SS**  -151.1135.4123.7-88.4-65.4000111.3
223L55.6Low35.2Very low146 Ų146150.6 Ų150.676%0.76479%0.79SS**  trans-81.1152.2-174.7-71.6165.1000113.8L225L223-L225 HydrophobicContact CB-CD1 4.39Å
224L41.6Very low34.9Very low154 Ų154149.6 Ų149.681%0.80678%0.781SS**  trans-138.7110.6157.8-159.574.9000111.6I226L224-I226 HydrophobicContact CD2-CD1 4.23Å
225L48.3Very low36.1Very low155 Ų155150.7 Ų150.781%0.81277%0.773SS**  trans-83.7113.1178.3-88.370.3000111.4L223L223-L225 HydrophobicContact CB-CD1 4.39Å
226I34.8Very low36Very low131 Ų131149.1 Ų149.167%0.67277%0.772SS**  trans-137.8145.4166.5-62.8-175.9000109.4L224L224-I226 HydrophobicContact CD2-CD1 4.23Å
227N34.6Very low36.1Very low149 Ų149145.1 Ų145.180%0.79776%0.763SS**  trans71.873.2174-66.8-13000119.5
228C32.3Very low36.4Very low121 Ų121146.4 Ų146.482%0.81877%0.769SS**  trans-6.6157.3135.5-55.50000121.9
229Q29.7Very low36.3Very low185 Ų185143 Ų14386%0.86477%0.767SS**  trans89.895.5153-71.9-176.358.400121.4
230S34.9Very low35.3Very low107 Ų107144.9 Ų144.975%0.74878%0.782SS**  51.8103.6112.7-167.70000120.5
231K31.8Very low35.2Very low202 Ų202141.6 Ų141.688%0.87878%0.778SS**  -173.3158115.8-103.8166.2-176.4175.70113.6
232K41.9Very low34.6Very low155 Ų155143.4 Ų143.467%0.67478%0.78SS**  trans-80.2147.1167.9178.1-172.9177.8-171.70110.5E234K232-E234 WeakPolarHBondContact CE-OE2 3.44Å; K232-E234 IonicContact NZ-OE2 2.92Å; K232-E234 PolarHBondContact NZ-OE2 3.46Å
233P32.5Very low34.2Very low118 Ų118137.3 Ų137.377%0.76677%0.767SS**  trans-123.1159.6138.335.7-27.7000113.4
234E24.7Very low32.9Very low153 Ų153134 Ų13472%0.71576%0.756SS**  trans-119.8176164.8-113.8-168.48100107.9K232K232-E234 WeakPolarHBondContact CE-OE2 3.44Å; K232-E234 IonicContact NZ-OE2 2.92Å; K232-E234 PolarHBondContact NZ-OE2 3.46Å
235P50.9Low32.5Very low104 Ų104133.6 Ų133.668%0.67575%0.75SS**  trans-106.7155.4-139.139.7-38.2000117
236T26.6Very low31.9Very low136 Ų136135 Ų13583%0.83475%0.753SS**  trans-160.4132.7146.618.10000106.6
237S29.4Very low31.9Very low90 Ų90132 Ų13263%0.62976%0.755SS**  64.5127.267-144.50000111.8
238Q32.5Very low31.7Very low192 Ų192132.5 Ų132.590%0.89775%0.752SS**  cis-163.4168.19.8-138.7164.85.500111.1
239G27.6Very low32Very low70 Ų70134.5 Ų134.572%0.72275%0.749SS**  trans116.1104.8169.600000113.6
240S28.5Very low32.2Very low125 Ų125135 Ų13587%0.87475%0.745SS**  cis78.1130.539.7-165.70000113.5
241S26.4Very low32.1Very low104 Ų104136 Ų13673%0.72774%0.741SS**  cis-171-173.9-16.9-169.80000108.8
242F25.2Very low32Very low179 Ų179132.9 Ų132.979%0.78573%0.733SS**  trans76.7143.1167.3-114-131.6000116
243V28.1Very low31.6Very low107 Ų107132.5 Ų132.565%0.64874%0.737SS**  cis-139.2143.516.8-151.60000111.6
244S28.9Very low31.5Very low77 Ų77135 Ų13554%0.53874%0.739SS.*  trans45.3156.4143.5-59.10000123
245E31.7Very low31.7Very low146 Ų146135.1 Ų135.168%0.68274%0.744SS**  cis-165.1117.7-15.1-108.7158.468.300104.6
246E36Very low30.8Very low184 Ų184139.9 Ų139.986%0.8676%0.755SS**  87.2143.78698176.921.300115
247G34.8Very low30.7Very low69 Ų69142.2 Ų142.271%0.71176%0.756SS**  trans15985.4-178.300000117.5
248E31.8Very low30.7Very low158 Ų158143.4 Ų143.474%0.73877%0.765SS**  trans61.6117.4155.1-54.7-57.392.200122.5
249E37.4Very low30.6Very low164 Ų164143 Ų14377%0.76676%0.76SS**  trans-121.2151157.5-68.8-171.1165.500110.7
250Y33.7Very low30.7Very low196 Ų196145.7 Ų145.777%0.76976%0.762SS**  trans-145.8132.9150.6-72-81.4000107.5
251L32.3Very low30.7Very low126 Ų126147 Ų14766%0.6676%0.758SS**  cis65.9138.945.6-55.2179.5000112.1
252L30.4Very low31.2Very low137 Ų137147.5 Ų147.572%0.71776%0.759SS**  cis-128.7164.715.2-63.3156.9000109.4
253L34.6Very low31.3Very low147 Ų147147.4 Ų147.477%0.7777%0.766SS**  cis75.1124.631.2-143.384.8000115.5
254E29.4Very low31.2Very low172 Ų172151.2 Ų151.280%0.80478%0.776SS**  trans160.3107.1132.5-88.8-175.8177.400113.4
255D30.2Very low31Very low154 Ų154153.2 Ų153.282%0.82479%0.786SS**  trans-114.4140.9138.1-98.2-46.9000105.3
256F31.1Very low30.7Very low205 Ų205154.5 Ų154.590%0.89979%0.791SS**  177.4142.2125.5-114.7-86.3000114.6
257E24.3Very low30.4Very low184 Ų184149.3 Ų149.386%0.8678%0.78SS**  trans-88.1145.9170.4-167-177.8-173.400111.4
258S29.8Very low30Very low115 Ų115153.6 Ų153.680%0.80479%0.786SS**  trans-100.8153.5-167.49.50000114.7
259K30.5Very low29.9Very low185 Ų185151.6 Ų151.680%0.80479%0.79SS**  trans-155.7100.5170.9-157.3162.3-1711640118.4
260T29.1Very low29.5Very low125 Ų125147.8 Ų147.877%0.76779%0.786SS**  trans64.5159.1152.866.20000117.6
261I29.3Very low29.3Very low153 Ų153147.9 Ų147.979%0.78579%0.791SS**  cis-137.914810.3-57.5165.7000108.4
262P35.9Very low29.1Very low115 Ų115146.4 Ų146.475%0.74779%0.791SS**  trans-99.1137.8177.836-31.9000115.2
263L27.3Very low28.9Very low177 Ų177146.2 Ų146.293%0.92780%0.796SS**  trans-164.8129.8144.1-14973.7000111.5
264Q25.6Very low28.6Very low187 Ų187143.8 Ų143.887%0.87479%0.791SS**  trans-156.9137170.9-172.5-175.519.200110.7
265T25.8Very low28.7Very low119 Ų119139.7 Ų139.773%0.7378%0.782SS**  trans-156.8142.1166.88.80000112.5
266H26.3Very low28.7Very low172 Ų172140.4 Ų140.480%0.79678%0.78SS**  trans62.188.8163.3-72.2-74.2000121.4
267A28.6Very low28.8Very low76 Ų76136.3 Ų136.363%0.62877%0.772SS**  58.5124101.700000122
268D26.6Very low29Very low158 Ų158134.1 Ų134.185%0.84577%0.766SS**  trans54.1116138.2-53.9-42000121.6
269S29Very low29.2Very low117 Ų117133 Ų13382%0.81876%0.757SS**  178147.589.5-166.80000114.7
270A29.6Very low29.3Very low83 Ų83131.6 Ų131.669%0.68676%0.758SS**  trans37.2104.815200000122.8
271K29Very low29.5Very low198 Ų198131.4 Ų131.486%0.86175%0.753SS**  57.7130.5117.8-102.7-179.8179.9176.70122.8
272S28.6Very low29.6Very low95 Ų95130.6 Ų130.666%0.66475%0.75SS**  trans94.9126.1137.1-58.20000121.1
273T26.2Very low29.8Very low133 Ų133131.2 Ų131.282%0.81675%0.752SS**  trans69.6134139.9-54.50000118.4
274S28.5Very low30.7Very low96 Ų96128 Ų12867%0.67174%0.741SS**  cis-165.8-162.9-17.158.40000109.9
275S32.1Very low30.9Very low87 Ų87124.9 Ų124.961%0.60874%0.74SS**  trans-27.8158.1156.8310000117.9
276E28.8Very low31.3Very low168 Ų168127.9 Ų127.979%0.78575%0.745SS**  cis-160.6-1747.8-120158.3129.900112.6
277T33.5Very low31.6Very low119 Ų119129.8 Ų129.873%0.7375%0.751SS**  trans-10.8152.8161.4590000119.4
278D29.9Very low31.7Very low139 Ų139133 Ų13374%0.74376%0.758SS**  -169.9177.451.9-166.426.9000115.3
279C32.7Very low32.5Very low90 Ų90131 Ų13161%0.60875%0.754SS**  trans-31.2142178.2-63.30000120
280N33.6Very low32.6Very low156 Ų156129.1 Ų129.183%0.83475%0.745SS**  166.1161.9103.8-87.9-73.5000109.7
281D32.7Very low32.6Very low122 Ų122130.8 Ų130.865%0.65275%0.752SS**  cis177.5147.1-44.9176.641000105.6
282N31.5Very low32.8Very low135 Ų135125.7 Ų125.772%0.72274%0.741SS**  trans53.3135.7168.7-83.5-59.7000123.4
283V39.8Very low33Very low129 Ų129130 Ų13078%0.78275%0.751SS**  trans-93.7-171.1170.1-119.30000109.5
284P47.1Very low33Very low110 Ų110128.3 Ų128.371%0.71474%0.744SS**  cis-130.9179.9-27.835.9-19.5000113
285S29.7Very low33.2Very low121 Ų121131.4 Ų131.485%0.84675%0.745SS**  trans-169.3140.5139.4-91.80000114.7
286H33.8Very low33.2Very low182 Ų182137 Ų13784%0.84376%0.762SS**  trans-78.5149.9167.5-69.3-100000112.1
287K32Very low33.2Very low211 Ų211132.7 Ų132.792%0.91776%0.762SS**  trans-162.3145.6138.4-101.3139.2-170.9173.80111.5
288N31.5Very low32.8Very low143 Ų143135.3 Ų135.377%0.76577%0.768SS**  trans-116.1150.8169.6-167.6-9.8000106.2A290N288-A290 PolarHBondContact OD1-N 2.93Å
289P42.7Very low32.9Very low118 Ų118136 Ų13677%0.76677%0.772SS**  -154131.7108.835.7-16.2000117.8
290A30.4Very low32.6Very low76 Ų76135.6 Ų135.663%0.62878%0.783SS**  63.9137.1121.400000124.2N288N288-A290 PolarHBondContact OD1-N 2.93Å
291S30.8Very low32.5Very low119 Ų119137.8 Ų137.883%0.83279%0.785SS**  trans79.2155.7151.885.50000117.6
292S32.7Very low32.3Very low90 Ų90140.2 Ų140.263%0.62979%0.79SS**  cis-156.8153.61275.80000114.6
293Q32.4Very low32Very low187 Ų187140 Ų14087%0.87479%0.785SS**  trans62.7175.2148.9-69.1-179.825.200118.5
294S27.5Very low31.4Very low97 Ų97140.6 Ų140.668%0.67878%0.779SS**  cis174.9144.4-34.1-171.40000108
295K32.8Very low30.4Very low160 Ų160142.5 Ų142.570%0.69678%0.778SS**  cis-167.4158.9-4-129.2174.1173.8174.40111.7
296H31.1Very low30.3Very low205 Ų205144.6 Ų144.695%0.94978%0.777SS**  trans65.1152.7152.5-73.3-50.8000122.3
297G28.8Very low30.2Very low77 Ų77143.1 Ų143.179%0.79477%0.774SS**  trans108.4136.7162.300000115.4
298M26.4Very low30Very low174 Ų174143.2 Ų143.286%0.85777%0.77SS**  cis173.1157.1-29174.657.2161.400104.8
299N30.3Very low29.9Very low155 Ų155142.8 Ų142.883%0.82977%0.768SS**  trans-67.8152.5-167.7-57.4-50.6000115.7
300G28.1Very low29.1Very low80 Ų80142 Ų14283%0.82577%0.765SS**  trans-168.4137.5165.300000112.7
301F29.4Very low30.6Very low203 Ų203143.6 Ų143.689%0.8977%0.769SS**  trans-145129.5-177.9-157.2-83.7000107.3
302F29Very low31.4Very low173 Ų173143.3 Ų143.376%0.75976%0.764SS**  trans177.3137.8145.6-116.2-117.5000114.3
303Q26.1Very low31.4Very low129 Ų129143.6 Ų143.660%0.60377%0.766SS**  trans20.8133.4145.4-65.9-173.8-30.100124.9
304Q27Very low31.3Very low142 Ų142146.8 Ų146.866%0.66477%0.77SS**  69160.4126-65.8178.8-10.100119.5
305Q26.5Very low31.3Very low150 Ų150146.5 Ų146.570%0.70177%0.774SS**  cis-156149.21.5-130.9162.93.600111.8
306M27.8Very low31.1Very low166 Ų166145.4 Ų145.482%0.81878%0.78SS**  trans30.5153.3142-59.4-69.1-165.800124
307I31Very low31Very low151 Ų151140.9 Ų140.977%0.77477%0.772SS**  177.3120.8114.3-90.3156000112.9
308Y28.4Very low31Very low212 Ų212142 Ų14283%0.83177%0.774SS**  trans45.7160.6150-71.4-100.2000121.8
309D28.6Very low31Very low135 Ų135139.1 Ų139.172%0.72277%0.77SS**  cis-143.1176.613.7-157.52.8000113.3
310S26.5Very low30.9Very low102 Ų102137.7 Ų137.771%0.71377%0.767SS**  trans-171.4-172.4-166.6-85.20000114
311P61.2Low30.9Very low108 Ų108140.8 Ų140.870%0.70177%0.765SS**  cis-126.3-10.4-15.138.7-26.4000119.9
312P48.8Very low30.7Very low113 Ų113135.1 Ų135.173%0.73475%0.751SS**  -98.8153-116.134.6-31.8000117.3
313S30.8Very low30.6Very low96 Ų96132 Ų13267%0.67175%0.75SS**  175.1111.7-56.3500000112
314R31.2Very low30.9Very low255 Ų255132.5 Ų132.596%0.96276%0.756SS**  trans-167.6145.1155.8-113.1174.3-180170.8-0.4110.5
315A27.5Very low30.9Very low91 Ų91135.3 Ų135.375%0.75276%0.762SS**  cis-139.9165.53.800000112.5
316T27.9Very low30.9Very low136 Ų136134.6 Ų134.683%0.83476%0.763SS**  trans-107.8178.317860.20000109.8
317S30.1Very low31.2Very low110 Ų110131.9 Ų131.977%0.76975%0.752SS**  cis-147.4-166.427.9-57.30000109.8
318A27.7Very low31.6Very low102 Ų102129.3 Ų129.384%0.84374%0.744SS**  cis-154.817913.900000113.2
319S26.7Very low31.7Very low112 Ų112128.7 Ų128.778%0.78374%0.741SS**  trans-141.9178.4179.3-168.90000110.6
320V29.5Very low31.7Very low126 Ų126126.8 Ų126.876%0.76474%0.738SS**  trans-52.8159.3173.6-720000113.3
321D26.6Very low31.9Very low144 Ų144132.3 Ų132.377%0.7775%0.745SS**  cis-150.7-171.623.8-148.6-37.2000113.2
322S26Very low30.5Very low85 Ų85130.4 Ų130.459%0.59473%0.734SS**  trans-53.7155.2-175.9-54.20000118.5
323S27.5Very low29.7Very low108 Ų108131.9 Ų131.976%0.75573%0.731SS**  158.7172.6109.8-165.70000115.3
324L31.8Very low29.6Very low138 Ų138133.4 Ų133.472%0.72373%0.731SS**  trans86109.7157.7-49-178.6000123.4
325Y27.1Very low29.7Very low201 Ų201127.2 Ų127.279%0.78872%0.722SS**  trans50.1118.9135-62.5-70.2000126.9
326N26Very low29.7Very low135 Ų135129.9 Ų129.972%0.72272%0.723SS**  41.3122.4129.4-66.3-21.5000125
327L34.2Very low30.6Very low110 Ų110128.8 Ų128.858%0.57672%0.718SS**  36150.7121.6-68.3168.1000121.3P690L327-P690 WeakPolarHBondContact CD2-O 3.4Å
328P39.8Very low30.5Very low96 Ų96132.1 Ų132.162%0.62372%0.718SS**  cis-157.5-177.737.246.2-25.5000120.4
329R31.3Very low30.3Very low200 Ų200133.6 Ų133.676%0.75572%0.717SS**  trans71158.4158.7-70173.6168.8149.7-3.3116.8
330S28.9Very low30.5Very low95 Ų95133.4 Ų133.466%0.66472%0.715SS**  cis-150.7147.928.5-51.80000111.3
331Y30.4Very low31.3Very low217 Ų217133.1 Ų133.185%0.85172%0.716SS**  59.6141.190.4-108.4-126.6000115.5
332S31.3Very low31.3Very low68 Ų68131.6 Ų131.648%0.47672%0.717SS.*  cis-176.4-176.87.2-161.10000114.4
333H30.6Very low31.3Very low144 Ų144132.8 Ų132.867%0.66773%0.725SS**  trans73.1149150.1-64.9-49.6000120.1
334D30.2Very low31.6Very low128 Ų128133.5 Ų133.568%0.68473%0.725SS**  cis-162.3154.2-7-118.2-6.7000118.1
335V32.2Very low31.6Very low126 Ų126134.9 Ų134.976%0.76473%0.728SS**  trans75.4141.4134.8166.70000126.5
336L27.4Very low32.1Very low147 Ų147129.4 Ų129.477%0.7772%0.724SS**  trans-47.6-177.9164.7-115.680.5000117.1
337P47.6Very low32.3Very low113 Ų113130.8 Ų130.873%0.73473%0.731SS**  cis-154164.64043.6-21000123.1
338K27Very low32.2Very low179 Ų179128.3 Ų128.378%0.77873%0.732SS**  trans74.1106.5138.8-87-172.6168.8-178.20125.3
339V25.1Very low31.8Very low134 Ų134131.9 Ų131.981%0.81274%0.741SS**  68.5133.6105.2170.90000122.5
340S30.4Very low31.9Very low107 Ų107127.5 Ų127.575%0.74873%0.732SS**  trans-75.8174.4173.4-29.60000115.3
341P45Very low32Very low121 Ų121132.6 Ų132.679%0.78674%0.738SS**  -159.5179.595.341.9-22.5000118.4
342S27.7Very low31.9Very low112 Ų112127.1 Ų127.178%0.78373%0.727SS**  trans72.9151.7154.7-1270000119.3
343S26.1Very low31.7Very low110 Ų110132.7 Ų132.777%0.76974%0.743SS**  cis-160.3166.8-13.317.80000111.5
344T33.6Very low31.4Very low122 Ų122131.2 Ų131.275%0.74874%0.74SS**  trans-88.7-167.2-179.741.50000112.9
345E32.7Very low31.5Very low167 Ų167130.6 Ų130.678%0.7874%0.741SS**  cis-149.3-174.89.242.2-85.7-1600109.5
346A36.4Very low32.1Very low87 Ų87130.5 Ų130.572%0.71974%0.743SS**  cis-140-139.510.600000110.3
347D30.6Very low32.1Very low163 Ų163129.2 Ų129.287%0.87275%0.746SS**  cis-163.8170.64.5-157.1-1.8000112.2
348G31.5Very low31.3Very low58 Ų58127.6 Ų127.660%0.59875%0.75SS**  trans75.1108.6168.400000117.7
349E31.3Very low31.7Very low171 Ų171125.7 Ų125.780%0.79975%0.754SS**  65.7127.969.2-65.3-104.7117.700114.5
350L34Very low31.7Very low109 Ų109124.9 Ų124.957%0.57175%0.754SS**  cis-150.3-177.8-12.4-88.7172.3000106V352L350-V352 HydrophobicContact CD2-CG2 4.41Å
351Y30Very low31.5Very low201 Ų201124.7 Ų124.779%0.78875%0.753SS**  cis-141.8166.327.9-90.2-111.8000108.7
352V29.1Very low30.7Very low103 Ų103124.6 Ų124.662%0.62475%0.75SS**  cis82.6128.133-179.70000112.7L350L350-V352 HydrophobicContact CD2-CG2 4.41Å
353F26.1Very low30.7Very low184 Ų184127.2 Ų127.281%0.80775%0.749SS**  cis-128.9-175.323.2-156.4-95.2000114.9
354N26.1Very low30.9Very low114 Ų114127.4 Ų127.461%0.6175%0.746SS**  trans-82157.3-160.6-69.7-69.7000119.9
355T31.6Very low30.8Very low114 Ų114129.4 Ų129.470%0.69975%0.747SS**  trans-14.5166.9132.444.20000118.5
356P44.2Very low30.6Very low124 Ų124127.7 Ų127.781%0.80574%0.741SS**  cis-144.817230.642.9-22.5000121.3
357S29Very low30.5Very low120 Ų120132.7 Ų132.784%0.83974%0.741SS**  trans-44.3154.6166.2-39.40000117.3
358G29.4Very low30.5Very low79 Ų79132.7 Ų132.781%0.81474%0.735SS**  trans-174.2113.5160.200000112.3
359T34.9Very low30.3Very low140 Ų140136 Ų13686%0.85974%0.744SS**  trans-104.6128.3-178.351.90000112.3
360S27Very low30.3Very low116 Ų116132.4 Ų132.481%0.81174%0.738SS**  trans171168.9140.147.60000113.4
361S24.8Very low30.2Very low103 Ų103135.5 Ų135.572%0.7275%0.753SS**  trans84.8113.3149.6-1010000122.8
362V29Very low30Very low120 Ų120130.1 Ų130.173%0.72775%0.745SS**  63.8101.9114.11780000119.5
363E28.3Very low30.2Very low166 Ų166135.6 Ų135.678%0.77676%0.756SS**  67.1111.5117.1-156.9174.8159.200122.9
364T29.7Very low30.3Very low115 Ų115132.6 Ų132.671%0.70675%0.748SS**  trans75.7153.4137.8-60.20000121.3
365Q31.3Very low31Very low164 Ų164134.2 Ų134.277%0.76676%0.755SS**  trans78.6153.6176.7-48.6-162.541.900116.9
366M29Very low31.3Very low130 Ų130134 Ų13464%0.6476%0.755SS**  cis-177.1161.5-33-171-166-8700106.4
367R33Very low31.3Very low192 Ų192132.8 Ų132.873%0.72575%0.748SS**  trans87.1117.5165-50.4179-165.3-97.3-4.5113.8
368H30.7Very low31.5Very low163 Ų163133.1 Ų133.176%0.75575%0.745SS**  62.9128.879-65-74.6000111
369V27.7Very low32Very low129 Ų129135.5 Ų135.578%0.78275%0.746SS**  cis-156.2135.649.2160.20000107.1
370S32Very low31.7Very low95 Ų95131.9 Ų131.966%0.66474%0.737SS**  cis77.8102.248.1-58.20000115.7
371I31.9Very low31.7Very low174 Ų174133.2 Ų133.289%0.89273%0.734SS**  trans-129.2133.9163.1-65.7-177000109.3
372S26.5Very low31.7Very low88 Ų88134.8 Ų134.862%0.61574%0.74SS**  trans-107.6169.3177.6-560000109.9
373Y33.1Very low31.7Very low218 Ų218139.1 Ų139.186%0.85575%0.745SS**  -169.8178.767.9-91.8-89.5000108.3
374D28.1Very low31.5Very low120 Ų120139.2 Ų139.264%0.64275%0.745SS**  cis-151.8156.415-163.112.3000113
375I39.7Very low32.1Very low148 Ų148140.8 Ų140.876%0.75975%0.748SS**  trans-154.8123167.4-51.7177.6000111.3
376P37.7Very low31.9Very low109 Ų109139.1 Ų139.171%0.70875%0.751SS**  trans-103.5151.7161.3-7.127.8000114.6
377P44.9Very low32Very low99 Ų99143.6 Ų143.664%0.64376%0.761SS**  trans-146.7-166.3-14240.9-18.5000118
378T33.5Very low32Very low127 Ų127139.9 Ų139.978%0.77976%0.76SS**  trans70.4167.5152.143.40000119.9
379P39.3Very low32Very low130 Ų130140.5 Ų140.584%0.84476%0.761SS**  cis-117.4176.1-6.639.4-26.4000113.4
380G28.9Very low32.5Very low64 Ų64140.9 Ų140.966%0.6677%0.765SS**  cis-179.5121.4-7.200000108.4
381N26.2Very low32.3Very low143 Ų143142 Ų14277%0.76576%0.76SS**  41.8117.696.7-16820.6000116.9Y383N381-Y383 PolarHBondContact OD1-N 2.8Å
382T24.6Very low32.4Very low136 Ų136137.1 Ų137.183%0.83475%0.753SS**  -158.1112.1123.9-72.10000110.2
383Y29.3Very low32.9Very low211 Ų211139.2 Ų139.283%0.82776%0.762SS**  trans-124.8124.8158.7-89.9-86.3000108.4N381N381-Y383 PolarHBondContact OD1-N 2.8Å
384Q25Very low33.2Very low168 Ų168136.4 Ų136.479%0.78576%0.761SS**  165.9116.9124.7-90.1177.783.200114.2
385I42.6Very low33.5Very low148 Ų148133.4 Ų133.476%0.75976%0.759SS**  42.3118.6119.8-55.4168.2000117.5
386P27.2Very low33.3Very low129 Ų129135.3 Ų135.384%0.83877%0.765SS**  -135.2177104.636.6-25.3000115.3
387R30.9Very low33Very low224 Ų224135.7 Ų135.785%0.84577%0.765SS**  trans-88.4157.5-173.8-68.8-176.3177.4179-0.6114.1
388T33.1Very low32.3Very low115 Ų115136.1 Ų136.171%0.70677%0.771SS**  trans65.4126.4144.542.40000121.4
389F30.6Very low32.3Very low176 Ų176139.2 Ų139.277%0.77277%0.773SS**  trans54.6116.6157.5-70.6-71.5000120.3E391F389-E391 HydrophobicContact CB-CB 4.28Å; F389-E391 PolarHBondContact O-N 3.46Å
390P36.3Very low32Very low136 Ų136140 Ų14088%0.88377%0.769SS**  trans-7593.9133.632.2-26.9000108.1
391E27.8Very low32.2Very low118 Ų118143.3 Ų143.355%0.55177%0.772SS**  trans-75.9130.6179.7176.2176.4-126.700111.5F389 T393 L394 G395F389-E391 HydrophobicContact CB-CB 4.28Å; F389-E391 PolarHBondContact O-N 3.46Å; E391-T393 PolarHBondContact O-N 2.91Å; E391-L394 WeakPolarHBondContact OE2-CA 3.05Å; E391-L394 PolarHBondContact OE2-N 3.09Å; E391-G395 PolarHBondContact OE2-N 2.89Å
392G34.7Very low32.7Very low73 Ų73142.7 Ų142.775%0.75377%0.774SS**SBendtrans-74.494.3154.800000109.4
393T37.1Very low33.2Very low131 Ų131143.5 Ų143.580%0.80477%0.772SS**SBendtrans65.688.3170.848.90000120.5E391E391-T393 PolarHBondContact O-N 2.91Å
394L38.8Very low33.9Very low159 Ų159138.6 Ų138.683%0.83277%0.766SS**  100.380.6115.7-157.7100.4000121.8E391E391-L394 WeakPolarHBondContact OE2-CA 3.05Å; E391-L394 PolarHBondContact OE2-N 3.09Å
395G34.5Very low34.2Very low58 Ų58137.5 Ų137.560%0.59877%0.765SS**  118.5149.9110.800000124.3E391E391-G395 PolarHBondContact OE2-N 2.89Å
396Q36.3Very low34.1Very low187 Ų187137.5 Ų137.587%0.87477%0.765SS**  trans68.6125.6157.2-71.5-167-2.600125
397T30.2Very low34.7Very low117 Ų117136.6 Ų136.672%0.71876%0.759SS**  trans63.9112.914159.50000125.6
398S31.8Very low35Very low108 Ų108131.7 Ų131.776%0.75576%0.756SS**  68.4128.2127.271.20000125.8
399K33.6Very low35.5Very low193 Ų193132.5 Ų132.584%0.83976%0.764SS**  trans74.4121.7134.3-93.2-168.1177.2-172.40124.2
400L32.8Very low35.9Very low145 Ų145129.2 Ų129.276%0.75975%0.746SS**  92.6129.2125.5-139.284.6000123.5
401D32.2Very low36Very low134 Ų134127.6 Ų127.672%0.71774%0.735SS**  trans69160.3141.9-102.5-59.7000128.3
402T36.1Very low36.5Very low131 Ų131128.1 Ų128.180%0.80475%0.749SS**  trans107140.2154.8-25.60000119.1
403I35.6Very low36.4Very low153 Ų153134.4 Ų134.479%0.78576%0.756SS**  trans-110.8-163179.8-7.6176.6000108.1
404P44.8Very low36.7Very low108 Ų108133.1 Ų133.170%0.70175%0.75SS**  cis-137.8-173.8-21.735-12.4000115.9
405D31.6Very low36.3Very low145 Ų145134 Ų13478%0.77575%0.749SS**  trans83.5161.9135.6-128.1-17.2000125.6
406I39Very low36.7Very low148 Ų148136.7 Ų136.776%0.75976%0.756SS**  trans90.6140.8153.6-72.2160.4000120.3
407P40.8Very low36.3Very low109 Ų109131.5 Ų131.571%0.70875%0.745SS**  trans-126.8177-158.342.3-25.1000116.8
408P37.9Very low36.5Very low121 Ų121134.2 Ų134.279%0.78675%0.75SS**  trans-89.7164173.535-34.9000115.4
409P43.3Very low36.3Very low133 Ų133134.6 Ų134.686%0.86474%0.743SS**  trans-107.4-178.2-159.241.6-37.8000118
410R37.9Very low36.2Very low107 Ų107136.3 Ų136.340%0.40474%0.744SS.*  trans-107150-171.5-157.6-93.4-154.3141.519.8112.9S668 H670R410-S668 PolarHBondContact NE-O 3.24Å; R410-H670 HydrophobicContact CB-CB 4.4Å; R410-H670 VanDerWaalsContact CD-O 3.27Å; R410-H670 WeakPolarHBondContact CD-O 3.47Å; R410-H670 PolarHBondContact NE-O 2.87Å; R410-H670 PolarHBondContact NH1-O 3.32Å
411P38.7Very low36.1Very low101 Ų101134.4 Ų134.466%0.65674%0.743SS**  trans-88.6158.7-170.433-38.7000117.4
412P39.4Very low36.6Very low130 Ų130133.1 Ų133.184%0.84474%0.742SS**  trans-94.2-169.7175.238.8-36.8000115
413K32.8Very low36.2Very low205 Ų205132.6 Ų132.689%0.89174%0.738SS**  trans-129.8171.5-171.1-93.5175.5177.91740113.5
414P42.9Very low35.9Very low104 Ų104133.3 Ų133.368%0.67574%0.738SS**  trans-110.1-179.3-152.841.8-38000118.2
415H29.7Very low35.3Very low177 Ų177134.1 Ų134.182%0.81974%0.741SS**  trans83.4158.7171.1-69.1-68.1000117.4
416P42.7Very low35.1Very low114 Ų114132.9 Ų132.974%0.7474%0.743SS**  cis-131.1167.8541.3-25.4000118.2
417A28.3Very low34.6Very low79 Ų79131.5 Ų131.565%0.65375%0.746SS**  trans42.7156.8142.300000125.6
418H33.5Very low34.3Very low174 Ų174134 Ų13481%0.80675%0.752SS**  trans65.8150.4167.1-70.5-73.2000117.7
419D28.8Very low34.6Very low116 Ų116133.3 Ų133.362%0.6275%0.748SS**  cis-154.4170.3-27.6-145.1-48.9000108.8
420R32.2Very low34Very low229 Ų229137.8 Ų137.886%0.86475%0.747SS**  trans39.3127.7162.9-78.6160.5-169.6-172.20.4122.3
421S29.2Very low33.5Very low105 Ų105138.8 Ų138.873%0.73477%0.765SS**  trans-66.6177.6155.555.90000114.4
422P42.6Very low33Very low107 Ų107138.1 Ų138.170%0.69577%0.768SS**  cis-134.9-158.9-33.234-12.8000111.3
423V29.4Very low32.6Very low119 Ų119136.7 Ų136.772%0.72176%0.761SS**  trans68.2136.5155.9165.70000115.6
424E29.1Very low32.5Very low169 Ų169133.5 Ų133.579%0.7975%0.754SS**  cis-161.7-165.8-18.1-123.2163.1-153.800108.5
425T31.7Very low32Very low124 Ų124134.9 Ų134.976%0.76176%0.761SS**  trans-57.1133.9-179.3410000116.9
426C28.1Very low32Very low119 Ų119132.3 Ų132.380%0.80475%0.753SS**  trans49.8144.4138.7-69.70000123
427S28.4Very low31.4Very low119 Ų119133.3 Ų133.383%0.83275%0.752SS**  trans108.394.9152.1-440000117.5
428I34.1Very low31.4Very low163 Ų163134.2 Ų134.284%0.83675%0.753SS**  trans-66.6137.2155.8-69.3165.1000107.2
429P43.1Very low31.3Very low106 Ų106136 Ų13669%0.68876%0.755SS**  -153146.867.838.2-16.4000121.2
430R30.9Very low31.2Very low227 Ų227135.3 Ų135.386%0.85776%0.758SS**  trans80.4137.3134-78.7-178.6-176162.83.2124
431T28.9Very low31.1Very low128 Ų128132.2 Ų132.279%0.78576%0.757SS**  trans81.8126.5138.642.40000123.1
432A27.7Very low31.9Very low86 Ų86132.1 Ų132.171%0.71175%0.754SS**  trans74.5114.8145.700000116.4
433S31.5Very low31.2Very low101 Ų101133.5 Ų133.571%0.70676%0.76SS**  76.5142.384.579.40000112.8
434D29.8Very low31.3Very low138 Ų138132.6 Ų132.674%0.73877%0.765SS**  cis-169.7170.1-9.2-122.3-62.7000107.6
435T32.8Very low31.3Very low132 Ų132127.9 Ų127.981%0.8176%0.762SS**  trans59.2173.4163.251.90000117.8
436D29.7Very low31.4Very low124 Ų124130.3 Ų130.366%0.66377%0.767SS**  cis-171.7153.6-40.8176.834.4000108.8
437N29.3Very low32.3Very low134 Ų134129.6 Ų129.672%0.71776%0.761SS**  trans57.8167.6162.5-85.3-43.6000119.1
438S29.6Very low33Very low98 Ų98130 Ų13069%0.68576%0.761SS**  cis-159.3154.1-2751.50000113.9
439Y30.6Very low32.8Very low212 Ų212127.6 Ų127.683%0.83176%0.758SS**  trans17.7122.1153.1-90-109.9000124.6
440C26.9Very low32.4Very low101 Ų101133.3 Ų133.368%0.68277%0.766SS**  51.1141.5121.9-60.60000124.4
441I30.7Very low32.3Very low165 Ų165127 Ų12785%0.84676%0.757SS**  176.8155.5113-88.7-60.6000111
442P45.3Very low32.4Very low103 Ų103127.5 Ų127.567%0.66976%0.755SS**  trans-133.2-148.3-153.145.8-28.9000116.6
443T28.5Very low32.5Very low135 Ų135129.8 Ų129.883%0.82876%0.76SS**  trans94.3143.4170.6-19.60000114.3
444A30.5Very low32.5Very low100 Ų100133 Ų13383%0.82677%0.768SS**  cis-149.6164.219.500000114.8
445G28.9Very low32.3Very low71 Ų71130.7 Ų130.773%0.73276%0.763SS**  trans135.6124.4160.300000117.3
446M33.3Very low32.4Very low175 Ų175130.4 Ų130.486%0.86276%0.761SS**  trans-156.7168.6-178.4-86.6-78.4100.800109.8
447P48.5Very low32.8Very low103 Ų103131 Ų13167%0.66977%0.768SS**  cis-126.1-171.9-6.241.5-25.9000113.3
448P42.8Very low32.9Very low129 Ų129131 Ų13184%0.83877%0.768SS**  -132.4-179.7116.139-31.7000113
449S30.3Very low33.1Very low112 Ų112132.9 Ų132.978%0.78377%0.77SS**  trans-139.1162.3-162.7-169.40000115.9
450R32.9Very low33Very low225 Ų225127.7 Ų127.785%0.84976%0.757SS**  trans88.494.5169.3-48.8-15576.2172.23.4117.9
451S30.5Very low33.1Very low96 Ų96131.6 Ų131.667%0.67176%0.762SS**  trans-73-172.8161.551.40000112.4
452N30.4Very low33.2Very low137 Ų137130 Ų13073%0.73376%0.755SS**  -155118.277.9-78.4-12.1000114.1
453T29.6Very low32.2Very low135 Ų135135.1 Ų135.183%0.82876%0.761SS**  trans-103.2163.6137.846.60000108
454I31Very low32.3Very low167 Ų167136.6 Ų136.686%0.85676%0.756SS**  trans-122.5138.7177.4-60178.8000109.2
455S26.3Very low32.1Very low91 Ų91137.7 Ų137.764%0.63675%0.747SS**  trans-155.9132.1178.8-171.90000112.8
456T34.9Very low32Very low126 Ų126138 Ų13877%0.77374%0.743SS**  trans63.3171.8144.748.60000122.2
457V37.9Very low31.6Very low135 Ų135135 Ų13582%0.81874%0.74SS**  trans101.1124.6160.1-174.30000115.6
458D32.2Very low30.8Very low134 Ų134135.1 Ų135.172%0.71774%0.743SS**  cis-123.1-111-4.8-166.641.9000112.9
459L32.8Very low30Very low138 Ų138136.3 Ų136.372%0.72374%0.737SS**  cis-155.4120.21.9-171.963000114.9
460N28.2Very low29.8Very low103 Ų103137 Ų13755%0.55173%0.732SS**  trans59124.9157.9-80.8-48.3000123.6
461K30Very low29.4Very low183 Ų183130.6 Ų130.680%0.79672%0.721SS**  44.3146.7124.8-55.7177.2-178.5173.70120.4
462L31.3Very low29.3Very low132 Ų132136.4 Ų136.469%0.69173%0.729SS**  cis-166.8146.927.7-169.264.7000112.6
463R24.8Very low29.1Very low210 Ų210136.2 Ų136.279%0.79273%0.728SS**  trans47.6122.3154.4-74.1172.3-169.51793.2120.7
464K31.3Very low29.5Very low167 Ų167136.8 Ų136.873%0.72673%0.725SS**  83.5132.889.4-136.3-173.9166-84.10110.8
465D25.6Very low29.9Very low122 Ų122134.6 Ų134.665%0.65272%0.721SS**  cis-151.8161.843.9-108.4-67.7000116
466A27.8Very low29.9Very low77 Ų77140.9 Ų140.964%0.63673%0.731SS**  trans50.7128.9147.800000125.5
467S24.2Very low29.7Very low114 Ų114139.8 Ų139.880%0.79772%0.724SS**  trans59.1149.713654.40000122.1
468S31.3Very low29.4Very low104 Ų104142.7 Ų142.773%0.72773%0.726SS**  cis-174.9147.8-12.750.40000111.7
469Q27Very low30.1Very low154 Ų154141.7 Ų141.772%0.7273%0.727SS**  trans63.5133.3136.3-158.668.238.600121.4
470D26.3Very low29.7Very low127 Ų127140 Ų14068%0.67973%0.726SS**  trans61.7167.7161.2-64.2-12.4000119.2
471C24.4Very low29.6Very low90 Ų90141.2 Ų141.261%0.60873%0.733SS**  cis-163.9158.3-43.9-101.60000109.8
472Y27.5Very low29.8Very low219 Ų219142.1 Ų142.186%0.85973%0.732SS**  trans59-179.7170.8-63.9-70.7000116.2
473D26.2Very low29.7Very low133 Ų133141 Ų14171%0.71174%0.735SS**  -157-175.3-59.1-159.3-20.4000107.2
474I38.7Very low29.8Very low147 Ų147136.4 Ų136.475%0.75474%0.735SS**  trans-93.8143.2-163.9-61.2154.6000113.4
475P39.2Very low29.6Very low120 Ų120133.9 Ų133.978%0.77974%0.738SS**  trans-139.1128.6135.728.8-10.8000116.8
476R27.5Very low29.6Very low224 Ų224134.7 Ų134.785%0.84574%0.742SS**  trans27.8108.6141.9-87.5-179.5-94.8-143.2-5123
477T29.5Very low29.7Very low103 Ų103138.8 Ų138.863%0.63275%0.748SS**  49.1131.6116.460.60000124.5
478F31.6Very low29.8Very low196 Ų196136 Ų13686%0.8674%0.737SS**  trans77163.1157-53.8-55.5000117.9
479P46.7Very low29.7Very low113 Ų113140.5 Ų140.573%0.73474%0.744SS**  cis-131.6-150.21.143.1-24.3000115
480S24.2Very low29.8Very low101 Ų101140.1 Ų140.171%0.70674%0.742SS**  trans78.5147.6163.6-73.70000119.2
481D25.8Very low29.8Very low130 Ų130139 Ų13970%0.69574%0.736SS**  cis-177.4174.2-15.4-114.3-59.1000108.8
482R36.3Very low30.1Very low201 Ų201141.7 Ų141.776%0.75874%0.739SS**  cis-166.3143.3-12.7-158.7168.5-173.3-170.82.8111.1
483S27.5Very low30.1Very low110 Ų110139.6 Ų139.677%0.76973%0.734SS**  trans168.2128153.8-78.40000109.5
484S26.6Very low30.3Very low112 Ų112142.4 Ų142.478%0.78374%0.74SS**  cis79.8130.742.675.10000114.3
485S27.8Very low30.1Very low114 Ų114141.4 Ų141.480%0.79774%0.741SS**  cis-167.7156.6-1.9-172.80000110.7
486L26.5Very low29.7Very low140 Ų140145.3 Ų145.373%0.73375%0.746SS**  trans-176.2157.9135-149.159.1000112.4
487E29.3Very low29.7Very low163 Ų163142 Ų14276%0.76275%0.745SS**  trans-15.3154.1179-7580.7-93.900121.9
488G26.7Very low29.6Very low54 Ų54143.1 Ų143.156%0.55775%0.751SS**  cis151.7117.8-8.200000116.4
489F29.6Very low29.5Very low199 Ų199140.8 Ų140.887%0.87375%0.747SS**  trans63.4157.1153-57.9-81.1000119.8
490H28.2Very low28.6Very low147 Ų147140.9 Ų140.968%0.68175%0.745SS**  cis-153.6131.8-35.8-140.363.9000111.8
491N27.1Very low29Very low104 Ų104142.5 Ų142.556%0.55675%0.751SS**  trans31.4113.7136.9-89.2-41.5000124
492H29.3Very low29Very low146 Ų146139.3 Ų139.368%0.67675%0.748SS**  71.5144.8123.266.1-141.7000126.7
493F28.6Very low28.6Very low174 Ų174135.1 Ų135.176%0.76375%0.75SS**  trans101.5119.8149.3-90.9-67.4000124.5
494K28.9Very low28.7Very low192 Ų192136.3 Ų136.384%0.83575%0.752SS**  trans78.7168.8146-101.5166.2-177.3175.50120.5
495V36.1Very low28.7Very low126 Ų126136.4 Ų136.476%0.76475%0.753SS**  trans-134.3134.9-154.4-178.30000111.5
496K30.9Very low28.7Very low203 Ų203134.7 Ų134.788%0.88374%0.741SS**  trans171.4157135.8-94.5165.1-177.2-173.30112.6
497N25.6Very low29.1Very low155 Ų155136.4 Ų136.483%0.82975%0.745SS**  trans-89.1158.7-174.4-57.914.3000113.7
498V28.9Very low29.5Very low126 Ų126136.8 Ų136.876%0.76475%0.747SS**  trans164.2112.8143.9147.10000106.9
499L29.8Very low30.1Very low147 Ų147140.9 Ų140.977%0.7776%0.756SS**  69.5130.377.9-76.2176.5000112.7
500T26.9Very low30.5Very low114 Ų114137.6 Ų137.670%0.69975%0.747SS**  cis-163.3172.34.6-40.60000111.2
501V33.4Very low30.9Very low135 Ų135137.6 Ų137.682%0.81875%0.748SS**  trans76.8139.3162.8-171.70000117
502G25.5Very low31.5Very low63 Ų63139 Ų13965%0.64976%0.755SS**  cis146.2162.8-1200000116
503S27.5Very low31.8Very low113 Ų113141.6 Ų141.679%0.7976%0.76SS**  trans84.2141.9160.8-55.70000119.3
504V29.6Very low32.4Very low135 Ų135139.3 Ų139.382%0.81876%0.76SS**  cis-160.6173.3-11.9-980000110.4
505S27.5Very low33.1Very low114 Ų114134.5 Ų134.580%0.79775%0.749SS**  trans73.5133.2174.9-93.10000115.8
506S26.4Very low33.6Very low79 Ų79136.9 Ų136.955%0.55275%0.754SS**  cis-165.11639.5-100.10000111.1
507E34.7Very low33.9Very low175 Ų175134.1 Ų134.182%0.81875%0.748SS**  cis-157.4-95.7-16.450.8-137.3-18.400114.3
508E37.7Very low34.8Very low172 Ų172131.5 Ų131.580%0.80474%0.74SS**  trans-91160.7-171.4-92.3169.6108.400114.8
509L40.3Very low34.9Very low140 Ų140132.6 Ų132.673%0.73374%0.742SS**  cis-138.2155.118.9-172.266.7000112.1
510D36.5Very low35Very low130 Ų130130.9 Ų130.970%0.69574%0.742SS**  trans-86.5173174.9-177.135.1000112.5
511E38.7Very low35.5Very low147 Ų147131.2 Ų131.269%0.68775%0.746SS**  175.6133.3120.6-98.1-173.5-141.100114.3
512N39.3Very low36.3Very low134 Ų134130.5 Ų130.572%0.71774%0.744SS**  trans70.459.2154.2-60.6-47.7000119.2
513Y35Very low36.5Very low199 Ų199137.1 Ų137.178%0.7875%0.75SS**  trans-79.9147.5153.3-155.7-104.4000111.2P515Y513-P515 HydrophobicContact CD1-CB 4.18Å; Y513-P515 HydrophobicContact CD1-CG 4.1Å; Y513-P515 HydrophobicContact CE1-CB 3.94Å; Y513-P515 HydrophobicContact CE1-CG 4.33Å
514V40.6Very low36.6Very low126 Ų126137.9 Ų137.976%0.76474%0.741SS**  trans-132106.6163.2-178.10000110.2
515P43.2Very low36.4Very low91 Ų91139.1 Ų139.159%0.59174%0.737SS**  trans-89139.7173.229.9-22.2000111.3Y513Y513-P515 HydrophobicContact CD1-CB 4.18Å; Y513-P515 HydrophobicContact CD1-CG 4.1Å; Y513-P515 HydrophobicContact CE1-CB 3.94Å; Y513-P515 HydrophobicContact CE1-CG 4.33Å
516M47.2Very low36.4Very low176 Ų176139.3 Ų139.387%0.86774%0.738SS**  trans-114.8111.2163-71.9-58.9-65.900110.4
517N36.7Very low36.4Very low145 Ų145141.1 Ų141.178%0.77575%0.751SS**  trans-86.6138.3-176.3-172.752.6000110.7N519N517-N519 PolarHBondContact O-N 3.18Å
518P44.8Very low36.1Very low100 Ų100138 Ų13865%0.64975%0.749SS**  trans-77.9123.9-178.829.5-34.3000112.6
519N31.3Very low35.5Very low150 Ų150139.3 Ų139.380%0.80275%0.752SS**  trans179.9123.2141.1-94-28.3000113.6N517N517-N519 PolarHBondContact O-N 3.18Å
520S31.6Very low35.2Very low111 Ų111138.3 Ų138.378%0.77675%0.752SS**  trans69.8167154.8-54.20000119
521P38.4Very low34.9Very low121 Ų121140.6 Ų140.679%0.78676%0.759SS**  -130.8179.2-51.438.3-22.7000112.6
522P50.2Low34.9Very low120 Ų120138.8 Ų138.878%0.77976%0.759SS**  trans-105.4152.8-16238.4-35.1000117.8
523R30Very low34.6Very low201 Ų201139.9 Ų139.976%0.75876%0.764SS**  trans178.8121.6150.6-102.5157.4174.9-70.6-11.1110.9
524Q28.7Very low34.6Very low129 Ų129138.7 Ų138.760%0.60377%0.765SS**  94.1154.483.1-85.3-162-28.600115
525H26.4Very low34.1Very low161 Ų161142.2 Ų142.275%0.74577%0.773SS**  trans79141176.8-48.2-67.3000115.7
526S27.1Very low33.8Very low118 Ų118141.8 Ų141.883%0.82578%0.778SS**  cis-156.7174.1-6.8-1090000112
527S25.6Very low33.2Very low117 Ų117140.9 Ų140.982%0.81878%0.776SS**  trans-118144.4-168.656.90000116
528S28.8Very low32.9Very low111 Ų111144.8 Ų144.878%0.77678%0.782SS**  trans-157122.4161.5500000108.6
529F25.9Very low32.6Very low199 Ų199145.4 Ų145.487%0.87378%0.784SS**  55.9120.675.3-124-119000111.6
530T32.8Very low32.9Very low119 Ų119143.3 Ų143.373%0.7378%0.778SS**  cis-139.4171.427.449.70000115.5
531E31Very low32.9Very low178 Ų178146.3 Ų146.383%0.83278%0.782SS**  trans-63.8178.3161.4-67177.599.900113.6
532P39.2Very low32.9Very low108 Ų108146.7 Ų146.770%0.70178%0.782SS**  cis-130.4173.8-1.139.1-22.7000115.9
533I32.9Very low32.7Very low157 Ų157147 Ų14781%0.80578%0.784SS**  trans170154.7130.6-88.1158.8000111.1
534Q33.4Very low32.8Very low175 Ų175140.8 Ų140.882%0.81878%0.783SS**  trans-56.2144-178.2-60.1132.5-20.300112.2
535E31.4Very low33.2Very low199 Ų199140.9 Ų140.993%0.9379%0.793SS**  -155.9169.569.1-87-174.5147.200113.6
536A35.7Very low33.4Very low82 Ų82142.3 Ų142.368%0.67880%0.797SS**  trans-146.8153.517900000111.9
537N35.3Very low33.6Very low158 Ų158143.4 Ų143.485%0.84579%0.794SS**  161.993.3125-84.7-57.1000111
538Y30.1Very low33.9Very low226 Ų226148.1 Ų148.189%0.88680%0.8SS**  trans-103.6131.2169.5-163-88.7000108.2
539V38.7Very low34Very low114 Ų114147.7 Ų147.769%0.69180%0.797SS**  trans-126.3117.6-174-176.40000111.1
540P37.9Very low34.6Very low106 Ų106142.2 Ų142.269%0.68878%0.784SS**  trans-82.4145.5176.333.1-33.9000112.2
541M32Very low34.7Very low173 Ų173146.6 Ų146.685%0.85279%0.793SS**  trans-102.6102.3-176.6-80.3-67.9-68.500113
542T38.1Very low34.7Very low129 Ų129141.1 Ų141.179%0.79178%0.784SS**  trans-133.8110.9168-550000109.9G544T542-G544 PolarHBondContact O-N 3.36Å; T542-G544 VanDerWaalsContact O-N 3.09Å
543P46Very low34.5Very low126 Ų126144.1 Ų144.182%0.81879%0.791SS**  trans-79.794.5-17630.5-33.7000112.2
544G31.5Very low34.5Very low72 Ų72144.7 Ų144.774%0.74279%0.79SS**  trans-80.6150.4163.600000112.3T542T542-G544 PolarHBondContact O-N 3.36Å; T542-G544 VanDerWaalsContact O-N 3.09Å
545T37.4Very low34.5Very low131 Ų131142.7 Ų142.780%0.80479%0.79SS**  trans-78.7136.1177.251.50000112.4
546F30.9Very low34.9Very low190 Ų190138.3 Ų138.383%0.83378%0.778SS**  trans-171.5-178.4132.5-116-79.6000112.2
547D30.6Very low35.1Very low141 Ų141139.9 Ų139.975%0.75478%0.781SS**  trans-89165.4-155.3-65.4-64.1000118
548F31.3Very low35.3Very low216 Ų216138.7 Ų138.795%0.94778%0.783SS**  trans-87.7147.5171.9-83.9-99.5000113.6
549S31.6Very low35.6Very low103 Ų103131.9 Ų131.972%0.7277%0.773SS**  trans-159.6133.6143-173.20000112.7
550S38Very low35.7Very low84 Ų84134.3 Ų134.359%0.58778%0.776SS**  trans55.4112.5156.2-520000117.4
551F34.9Very low35.4Very low210 Ų210137.1 Ų137.192%0.92178%0.782SS**  cis-147.2175.914.4-56.7-84.5000108.7
552G31.4Very low35.6Very low63 Ų63131.8 Ų131.865%0.64977%0.772SS**  cis156.9159-2.800000110.1
553M35.8Very low35.4Very low172 Ų172134.8 Ų134.885%0.84777%0.774SS**  trans5485.6-172.7-54.7-56.2166.500113.8
554Q32.8Very low34.7Very low169 Ų169140.3 Ų140.379%0.7978%0.779SS**  62.1103.592.4-170.8174.68.900111.6
555V32.2Very low35Very low133 Ų133142.5 Ų142.581%0.80678%0.783SS**  -140.8145.874.6-1770000112.6
556P41.4Very low34.6Very low106 Ų106142.1 Ų142.169%0.68879%0.785SS**  trans-92.5145.5177.335.4-34.2000114.9
557P39.2Very low35.1Very low115 Ų115138.7 Ų138.775%0.74778%0.782SS**  trans-77.3162.4171.632.2-34.9000113.2A559P557-A559 PolarHBondContact O-N 2.91Å
558P39.9Very low35.1Very low134 Ų134141.8 Ų141.887%0.8779%0.789SS**  trans-77.9108.3-164.329.4-35.7000114.5H560P558-H560 PolarHBondContact O-N 3.46Å
559A36.1Very low35.2Very low82 Ų82137.4 Ų137.468%0.67878%0.78SS**  trans-78.7115.9170.100000112.2P557P557-A559 PolarHBondContact O-N 2.91Å
560H40.5Very low35.8Very low166 Ų166138 Ų13877%0.76978%0.781SS**  trans-15.5138.1156.953.8-88.9000116.9P558 G562P558-H560 PolarHBondContact O-N 3.46Å; H560-G562 PolarHBondContact O-N 2.79Å
561M32.8Very low36.2Very low164 Ų164138.9 Ų138.981%0.80879%0.785SS**  trans-67.985.9-173.5-65.9-153.980.600115F563M561-F563 HydrophobicContact CE-CD2 4.34Å; M561-F563 HydrophobicContact CE-CE2 3.47Å; M561-F563 VanDerWaalsContact CE-CE2 3.47Å; M561-F563 HydrophobicContact CE-CZ 3.7Å
562G34.3Very low36Very low62 Ų62141 Ų14164%0.63979%0.787SS**  trans-102.691.6166.300000112.3H560 R564H560-G562 PolarHBondContact O-N 2.79Å; G562-R564 PolarHBondContact O-N 3.04Å
563F34.2Very low36.2Very low191 Ų191149.3 Ų149.384%0.83880%0.799SS**  trans-66.6101.4174.5-83.8-74.1000111.8M561M561-F563 HydrophobicContact CE-CD2 4.34Å; M561-F563 HydrophobicContact CE-CE2 3.47Å; M561-F563 VanDerWaalsContact CE-CE2 3.47Å; M561-F563 HydrophobicContact CE-CZ 3.7Å
564R31.8Very low36.4Very low243 Ų243146.2 Ų146.292%0.91779%0.791SS**  trans-114.8123.1158-74.6-173174.4-86.21.7109.4G562G562-R564 PolarHBondContact O-N 3.04Å
565S38Very low36.5Very low118 Ų118144.3 Ų144.383%0.82579%0.791SS**  trans-79.8154178.445.70000111.9
566S29.8Very low36.9Very low122 Ų122143.3 Ų143.385%0.85379%0.787SS**  trans-155.5157.7164.3-86.20000111.2
567P41Very low36.6Very low118 Ų118144.7 Ų144.777%0.76679%0.794SS**  trans-108170.9-148.940-35.6000114.9
568K30.1Very low36.2Very low206 Ų206143.8 Ų143.890%0.89680%0.795SS**  trans-146.6122.6160-135.4160.7-173.2169.90112.5
569T32.8Very low35.8Very low125 Ų125144.4 Ų144.477%0.76779%0.791SS**  trans-121.4-167.616859.70000106.2
570P45.1Very low35.6Very low114 Ų114146.2 Ų146.274%0.7480%0.798SS**  cis-124.5-141.1-2.943.9-24000109.2
571P47.1Very low35.2Very low104 Ų104146.9 Ų146.968%0.67580%0.802SS**  cis-134.5153.9-1934.8-16.7000116.5
572R30.2Very low35.6Very low254 Ų254144.6 Ų144.696%0.95880%0.799SS**  -162.6168.7123.1-103.4156.8-176.1148.61.3110.9
573R34.7Very low35.8Very low238 Ų238147.2 Ų147.290%0.89881%0.805SS**  trans-104.2-176.3-159.5-65.7-178.4176.5115.8-4.7112
574P40.2Very low36.1Very low106 Ų106144.1 Ų144.169%0.68880%0.804SS**  -141.6158.4-50.337.7-21.5000116.3
575V35.5Very low36.6Very low130 Ų130139 Ų13979%0.78880%0.799SS**  trans59.3165141.1173.90000118.2
576P41Very low36.6Very low112 Ų112138.7 Ų138.773%0.72779%0.788SS**  cis-102.7173.5-12.812.612.7000113.2
577V34.2Very low37.2Very low135 Ų135141.8 Ų141.882%0.81878%0.781SS**  cis81.5102.641.3-174.50000115.7
578A31.5Very low37Very low95 Ų95143 Ų14379%0.78578%0.781SS**  trans166.4167.9151.900000109.5
579D31.4Very low37.4Very low147 Ų147140.5 Ų140.579%0.78678%0.777SS**  -166175.2-55.9-141.9-38.9000108.4
580C32.3Very low37.9Very low121 Ų121143.5 Ų143.582%0.81878%0.779SS**  trans71.4156.8160.4-61.30000123
581E31.6Very low37.8Very low180 Ų180144.2 Ų144.284%0.84178%0.784SS**  trans-61170-166.4-73.9-176108.700121.7
582P41.3Very low37.2Very low116 Ų116146.4 Ų146.475%0.75379%0.79SS**  trans-87.9132.6162.735.5-31.4000113.9
583P39Very low37.6Very low117 Ų117145 Ų14576%0.7679%0.785SS**  trans-95.1-179175.143.5-39.4000111.3
584P38.7Very low37.5Very low126 Ų126143.8 Ų143.882%0.81879%0.786SS**  -120.2171.4-104.515.310.1000114.7
585V42.7Very low37.2Very low134 Ų134141.9 Ų141.981%0.81279%0.785SS**  trans-93.4130.4172.3173.30000109.5
586D38.8Very low37Very low112 Ų112144.7 Ų144.760%0.59979%0.79SS**  -169.1151.5123.1-126.7-22.6000119.4
587R43.2Very low36.6Very low187 Ų187144.5 Ų144.571%0.70679%0.791SS**  trans60.8153.3143.6-86.2156.6170.471.50.7124.1
588N35.9Very low36.8Very low143 Ų143144.1 Ų144.177%0.76579%0.791SS**  trans82.2125.7163.9-49.4-49.9000116.7
589L38.8Very low36.9Very low154 Ų154149.2 Ų149.281%0.80680%0.796SS**  cis-147.6168.1-7.4-101.6169.2000110.3
590K42.9Very low37.1Very low188 Ų188150.1 Ų150.182%0.81780%0.799SS**  trans-36.7147.2-170.4-62.4171.5179.2172.70118.7
591P42.9Very low37Very low129 Ų129152.5 Ų152.584%0.83880%0.802SS**  trans-79.7152.9164.635.2-34.7000112.4
592D33.9Very low37Very low151 Ų151154.9 Ų154.981%0.80780%0.804SS**  trans-116.5165.4171.2-166.223.6000112.7
593R38.6Very low36.4Very low225 Ų225157.8 Ų157.885%0.84981%0.812SS**  trans-83.5127.8-169.5-61.1172.7168.1108.9-12.2113.1
594K33Very low36.1Very low212 Ų212161.8 Ų161.892%0.92282%0.817SS**  -165.3138.5120.1-112.1168.7-178175.30111.2
595G33.9Very low36.3Very low65 Ų65160.4 Ų160.467%0.6781%0.809SS**  trans-116.7150163.400000109.4
596Q30.9Very low35.6Very low190 Ų190162.9 Ų162.989%0.88881%0.811SS**  trans-158.8137.7153-158.875.3-8.500107.3
597S32.7Very low35.2Very low107 Ų107161.4 Ų161.475%0.74882%0.822SS**  trans-109.7141.6176.649.10000111.3
598P38.1Very low34.8Very low128 Ų128160.1 Ų160.183%0.83183%0.829SS**PPolyproline II helixtrans-89.8150.2161.8-10.729.2000111.8
599K33.9Very low34.5Very low202 Ų202162.6 Ų162.688%0.87884%0.836SS**PPolyproline II helixtrans-95.7158.7172.5-71.4174.3-179.5169.90111.2
600I35.9Very low34.3Very low166 Ų166165.9 Ų165.985%0.85184%0.837SS**PPolyproline II helixtrans-57.7134.9168.1-61.2162.3000110.3
601L31Very low33.9Very low170 Ų170162.3 Ų162.389%0.8983%0.831SS**  trans-141.8166.3148.1-106.8177.3000111.4
602R30.3Very low33.3Very low230 Ų230163.2 Ų163.287%0.86883%0.829SS**  trans-109.7130.2-159172.2-167.8-178.6109.3-6.1111.1
603L29.5Very low33.3Very low177 Ų177161.3 Ų161.393%0.92783%0.827SS**  trans-136.3129.9174.5-79.5172.3000113.3
604K31.8Very low33.1Very low201 Ų201159.3 Ų159.387%0.87483%0.828SS**  trans-179.3155.8155.2-113.2-172.8177.8-1760108.1
605P43.8Very low32.9Very low98 Ų98154.3 Ų154.364%0.63682%0.815SS**  cis-122.9-171.3-9.440.8-25.9000112.6
606H27.1Very low32.8Very low185 Ų185159.4 Ų159.486%0.85683%0.825SS**  trans136.6158.9151.1-75.598.6000112.3
607G31.1Very low32.8Very low81 Ų81153.6 Ų153.684%0.83582%0.817SS**  trans88.676.5168.700000115.8
608L34.5Very low32.8Very low161 Ų161155.3 Ų155.384%0.84382%0.817SS**  trans-102.7101.2151.2175.893.3000107.1
609E30.6Very low32.4Very low195 Ų195158.9 Ų158.991%0.91182%0.82SS**  trans-140.8164.5153.1-80.7-147.7117.300109.4
610R34.2Very low32.4Very low222 Ų222153.5 Ų153.584%0.83881%0.813SS**  trans-115.1172.6-165.5-57.3171.174.7104-3.3109.8
611T33.9Very low32.1Very low114 Ų114151.3 Ų151.370%0.69981%0.808SS**  trans-57.3155.2149.255.90000108.4
612D31Very low32.3Very low148 Ų148152.4 Ų152.479%0.79180%0.8SS**  -152.6179.863.3-63-46.6000112.4
613S34.3Very low32.6Very low110 Ų110151 Ų15177%0.76980%0.795SS**  trans-98.5172.2-170.8-58.50000114.5
614Q33.1Very low32.9Very low183 Ų183152 Ų15286%0.85579%0.792SS**  trans83.6151.7170.2-52.7-179.514.600116.3
615T30.4Very low33Very low107 Ų107149.5 Ų149.566%0.65679%0.793SS**  cis-170.6130.3-24.3-89.20000107.7
616I30.4Very low32.9Very low172 Ų172153.3 Ų153.388%0.88280%0.8SS**  trans46.9139159.7-74.2164000119.6
617G32.5Very low33.4Very low69 Ų69150.6 Ų150.671%0.71180%0.798SS**  trans137.969.515300000118.4
618D32.1Very low33.5Very low142 Ų142150.4 Ų150.476%0.75979%0.789SS**  trans1.3146.1150-71-26.5000123.8
619F29.7Very low33.9Very low204 Ų204147.9 Ų147.990%0.89578%0.782SS**  trans71.2159156.8-63.6-58000120.5
620A33.1Very low34.1Very low88 Ų88144.9 Ų144.973%0.72777%0.772SS**  trans-125.4166-169.500000111.3
621T30.9Very low34.4Very low121 Ų121142.2 Ų142.274%0.74277%0.769SS**  trans160.4116.4134.8-76.50000114.8
622R35Very low34.6Very low193 Ų193144.5 Ų144.573%0.72878%0.775SS**  trans67.6139.3147.3-77.6179.6-171.3-67.66.7124.3
623R36.8Very low35Very low199 Ų199146.1 Ų146.175%0.75178%0.775SS**  trans83.8115.6132.9-79.8170.2-179.3169.2-0.3121
624K34.3Very low35.1Very low199 Ų199146.6 Ų146.687%0.86578%0.776SS**  trans43.6127.3131.3-68.1-169.3174.2-170.80120
625V35.3Very low35.1Very low148 Ų148144.8 Ų144.890%0.89777%0.771SS**  -156.8166.5107.7137.60000108.8
626K40.7Very low36.3Very low179 Ų179144.4 Ų144.478%0.77877%0.77SS**  trans-126.9152.5-175.9-159.8-178.9-175.9-1760108.8
627P36.9Very low36.1Very low127 Ų127144.4 Ų144.483%0.82577%0.766SS**  -142.3179.4114.838.8-25.8000114.5
628A34.8Very low35.9Very low77 Ų77150.7 Ų150.764%0.63677%0.769SS**  trans-148.8-174.9167.300000105.4
629P42.6Very low36Very low109 Ų109152.9 Ų152.971%0.70878%0.775SS**  cis-138.4-155.92.928.5-1000113.4
630L33.4Very low36.1Very low132 Ų132150.4 Ų150.469%0.69177%0.766SS**  trans87.7113.9157.3-55.1-179.4000120.5
631E40.5Very low36Very low165 Ų165153.9 Ų153.977%0.77177%0.771SS**  41.4126.3119-60.6173-169.900121.4
632I38.3Very low35.8Very low162 Ų162157.2 Ų157.283%0.83178%0.779SS**  -174.5148.6112.6-92154000108.9
633K39.6Very low35.5Very low182 Ų182152.5 Ų152.579%0.79178%0.781SS**  trans-110.2147.9165.2-79.7-171.5175.6-1760109.7
634P36.6Very low35.7Very low121 Ų121148.5 Ų148.579%0.78678%0.781SS**  -126.9171.3120.5-0.422000115.3
635L32.4Very low35.6Very low144 Ų144144.9 Ų144.975%0.75478%0.775SS**  trans-101.8-172.1167.4-112.872.5000108.3
636P56.5Low35.4Very low100 Ų100148.6 Ų148.665%0.64977%0.773SS**  cis-137.2-135.1-32.536.6-14.5000110.5
637E26.2Very low35.1Very low171 Ų171144.7 Ų144.780%0.79977%0.768SS**  trans80.1129149.8-148155.8-145.300116.3
638W27.7Very low35.9Very low201 Ų201144 Ų14476%0.76176%0.764SS**  cis-146.2157.15.243.3-82.2000107.4E640W638-E640 HydrophobicContact CE3-CB 4.46Å
639E33.8Very low35.5Very low188 Ų188148.4 Ų148.488%0.87978%0.775SS**  cis87.486.425-170.1146.7-157.700115.9
640E31.8Very low35Very low152 Ų152148.3 Ų148.371%0.7177%0.772SS**  trans-156.9118.9159.5-156162.7-159.500116.2W638W638-E640 HydrophobicContact CE3-CB 4.46Å
641L32.3Very low35.2Very low162 Ų162150.8 Ų150.885%0.84877%0.772SS**  trans62.5166.7149.4-65.5174.5000124.5
642Q26.4Very low34.7Very low191 Ų191147.6 Ų147.689%0.89377%0.769SS**  trans-127.2161.2-174.3-75.5-168.9-41.200114
643A28.4Very low34.4Very low94 Ų94148 Ų14878%0.77777%0.765SS**  trans72.8166.8157.500000117.6
644P41.8Very low34.2Very low115 Ų115143.8 Ų143.875%0.74776%0.763SS**  cis-132.7144.7-138.8-21000118.3
645V30.7Very low34Very low123 Ų123150.2 Ų150.275%0.74577%0.772SS**  trans40.5125.1132.3-169.90000123.3
646R32.1Very low33.7Very low226 Ų226149.7 Ų149.785%0.85377%0.77SS**  trans72.3126156-81.6174.8171.9153.8-1.3119
647S34.3Very low32.4Very low97 Ų97150.6 Ų150.668%0.67878%0.778SS**  cis97.9171.449.1820000112.9
648P53.1Low32.5Very low112 Ų112146.5 Ų146.573%0.72777%0.769SS**  cis-134.7-177-25.440.6-24.7000113.7
649I27.8Very low32.7Very low169 Ų169148.5 Ų148.587%0.86778%0.776SS**  trans-166.5163144.6-111.2162.3000116.4
650T32.1Very low32.5Very low108 Ų108149.2 Ų149.266%0.66378%0.777SS**  trans-51.8153-169.648.80000119.3
651R36.6Very low33.4Very low183 Ų183146.8 Ų146.869%0.69178%0.775SS**  cis86.1116.336.9172.3-170.7162.8-89.614116.4
652S30.6Very low33.2Very low99 Ų99148 Ų14869%0.69278%0.778SS**  trans163.1158.2149-76.90000110.6
653F31.8Very low33.4Very low171 Ų171144 Ų14475%0.7577%0.771SS**  cis-160.6167.3-32.9-113.6-58000108.4
654A36.1Very low33.8Very low92 Ų92145.3 Ų145.376%0.7677%0.772SS**  trans-107.9166-175.300000114.2
655R31Very low33.3Very low257 Ų257151.8 Ų151.897%0.9778%0.781SS**  trans-151.1159.8158.3-125.3177.6-172.9176.53.3114.9
656D27.8Very low34.3Very low132 Ų132150.9 Ų150.971%0.70678%0.778SS**  trans-114.6163.1-170.8166.153.2000111.4
657S27.2Very low34Very low119 Ų119147.5 Ų147.583%0.83278%0.777SS**  trans-168.1150.9151.3-880000113.5
658S28.4Very low33.7Very low86 Ų86146.1 Ų146.160%0.60177%0.767SS**  trans-145.1149.4-177.8610000113.6
659R32.9Very low32.8Very low243 Ų243145.9 Ų145.992%0.91776%0.764SS**  trans-177.5168.6139.1-103.7161.2-85-150.71.2113.7
660F30.5Very low32.9Very low202 Ų202144.7 Ų144.789%0.88675%0.754SS**  trans-122.1-173.8-174.9-79.1-84.4000109.2
661P49Very low32.9Very low102 Ų102143.6 Ų143.666%0.66275%0.751SS**  cis-130.1177.1-45.836-20.9000112.4
662M29.5Very low32.7Very low188 Ų188141.3 Ų141.393%0.92676%0.757SS**  trans-140.6169.3158-85.4-57.6157.100112.5
663S30.2Very low32.5Very low106 Ų106142.9 Ų142.974%0.74176%0.763SS**  trans-107.8160.8-159.553.10000115.8
664P36.7Very low32.5Very low122 Ų122140.3 Ų140.379%0.79277%0.766SS**  trans-105.3145.2164.436.9-29.4000112.8
665R30.8Very low32.2Very low250 Ų250140.5 Ų140.594%0.94376%0.762SS**  trans-143.3167.5165.6-103.3-161.7165.5151.4-3.1110.3
666P52.4Low32.3Very low105 Ų105132.9 Ų132.968%0.68275%0.748SS**  trans-113.6-176.9-133.244-38.2000114.8
667D26.2Very low32.5Very low154 Ų154132.9 Ų132.982%0.82475%0.748SS**  trans174.6165.1139.2-92.9-18000110.8
668S26.9Very low32.8Very low69 Ų69131.7 Ų131.748%0.48374%0.74SS.*  cis-162178.6-27-173.30000109.7R410R410-S668 PolarHBondContact NE-O 3.24Å
669V33.8Very low33.2Very low107 Ų107136.1 Ų136.165%0.64875%0.751SS**  trans-135.8104.5-163.3-74.20000117.3
670H30.9Very low33.3Very low143 Ų143130.4 Ų130.466%0.66274%0.738SS**  trans-137.7145.5167.6-67.1-71.6000112.8R410R410-H670 HydrophobicContact CB-CB 4.4Å; R410-H670 VanDerWaalsContact CD-O 3.27Å; R410-H670 WeakPolarHBondContact CD-O 3.47Å; R410-H670 PolarHBondContact NE-O 2.87Å; R410-H670 PolarHBondContact NH1-O 3.32Å
671S31.1Very low33.5Very low86 Ų86124.8 Ų124.860%0.60172%0.724SS**  trans-132.2175.3-151.6-59.30000114.7
672T32.8Very low32.8Very low134 Ų134128.5 Ų128.582%0.82273%0.733SS**  trans54.9128.4142.345.90000123.2
673T27Very low33.1Very low133 Ų133126.6 Ų126.682%0.81672%0.722SS**  trans-139.6129.5135.149.50000106.1
674S31Very low33Very low117 Ų117126.9 Ų126.982%0.81872%0.715SS**  cis77.7144.338-153.60000113.1
675S31.1Very low32.7Very low95 Ų95130.8 Ų130.866%0.66472%0.715SS**  cis-104-137.91.942.40000112.2
676S31.5Very low32.9Very low98 Ų98124.6 Ų124.669%0.68571%0.705SS**  cis-167.8168.55.3-103.50000108.4
677D32Very low33Very low132 Ų132125.1 Ų125.171%0.70671%0.708SS**  cis-170.7175.9-27.3-110.1-62.4000111.8
678S33.3Very low33.3Very low94 Ų94126.9 Ų126.966%0.65771%0.714SS**  trans60.8107.116264.80000120.5
679H36.7Very low33.7Very low179 Ų179129.9 Ų129.983%0.82972%0.724SS**  95.2147.692-89.8-79.7000113
680D35.8Very low34Very low123 Ų123127.9 Ų127.966%0.65871%0.714SS**  cis-152.1177.28.2-159-128.1000112.7
681S35.1Very low33.9Very low84 Ų84127 Ų12759%0.58771%0.714SS**  trans22.8163.3154.446.20000123.6
682E33.3Very low34.2Very low180 Ų180129.6 Ų129.684%0.84172%0.72SS**  cis-178.5168.3-30.372.8-169-168.500107.6
683E35.8Very low34.1Very low148 Ų148127.8 Ų127.869%0.69271%0.713SS**  cis-158.7-144.9-37.258.791.1-152.300110.3
684N29.6Very low34.2Very low111 Ų111126 Ų12659%0.59471%0.706SS**  trans55.7107.8164.3-111.8-37.9000124.6
685Y30.5Very low34.1Very low204 Ų204128.9 Ų128.980%0.871%0.707SS**  trans67.4111.3130.1-94.2-118.7000127
686V34.4Very low34Very low120 Ų120131.6 Ų131.673%0.72771%0.713SS**  59.6135.7120.5-177.40000122.2
687P54.9Low34.6Very low116 Ų116131.8 Ų131.875%0.75371%0.713SS**  trans-111.8175.8-170.143.6-37.1000117.3
688M31.8Very low34.4Very low191 Ų191132.2 Ų132.294%0.94172%0.715SS**  trans-151.9167.4163-95.8-147.8-70.300114.3
689N35.5Very low34.1Very low132 Ų132135 Ų13571%0.70672%0.721SS**  trans-152.1129.9-172.517424.9000111.4
690P39.9Very low33.6Very low66 Ų66136 Ų13643%0.42972%0.724SS.*  trans-155.3127.7142.135.3-15.4000118.5L327L327-P690 WeakPolarHBondContact CD2-O 3.4Å
691N29.2Very low33Very low125 Ų125133.3 Ų133.367%0.66873%0.725SS**  50152.1107.2-133.77.4000124.6
692L36.2Very low32.7Very low140 Ų140135.4 Ų135.473%0.73374%0.739SS**  trans78155.3163.1-58.6177.1000118.9
693S30.7Very low32.4Very low95 Ų95134.7 Ų134.766%0.66474%0.741SS**  cis-171.8172.9-13.247.30000113.1
694S30.5Very low32Very low96 Ų96132.3 Ų132.367%0.67174%0.741SS**  trans72.5158.3154.7-83.80000121.1
695E28.4Very low32.2Very low178 Ų178134.1 Ų134.183%0.83275%0.75SS**  cis-162.1176.5-19.155.1-163.667.200113.7
696D28.1Very low32.1Very low151 Ų151131.7 Ų131.781%0.80775%0.751SS**  trans-75.3-175.1-173.7-103.3-61.7000114.9
697P44Very low31.9Very low103 Ų103129 Ų12967%0.66975%0.748SS**  cis-157.3173.531.546.1-23.7000122.7
698N27.8Very low30.7Very low141 Ų141126.8 Ų126.875%0.75475%0.746SS**  trans57.4128.5141.2-71.2-31.8000123.7
699L27.5Very low30.5Very low152 Ų152123.6 Ų123.680%0.79674%0.742SS**  -176.6148.395-113.7110.4000114.4
700F25.8Very low30.4Very low201 Ų201122.7 Ų122.788%0.88275%0.746SS**  trans-3.4150.9160.7-68.1-108.5000121.1
701G24.7Very low31.1Very low65 Ų65124.7 Ų124.767%0.6776%0.759SS**  cis157.8171.8300000111.9
702S28.9Very low31Very low128 Ų128127 Ų12790%0.89577%0.768SS**  trans-155.9154.1173.5-82.90000114.5
703N26.2Very low30.8Very low166 Ų166127.3 Ų127.389%0.88877%0.769SS**  trans-98.6165.2-166.8-78.3-14.8000111.6
704S27.9Very low31Very low97 Ų97132.3 Ų132.368%0.67878%0.779SS**  cis-169.1172.5-4.5168.50000110.1
705L32.9Very low31.9Very low150 Ų150133.4 Ų133.479%0.78578%0.783SS**  trans73.8145176.5-96.467.6000115.4
706D28.9Very low32Very low153 Ų153134.9 Ų134.982%0.81879%0.787SS**  cis-157.4-175.4-9.7-154.7-6.7000111.3
707G29.5Very low32Very low64 Ų64131 Ų13166%0.6678%0.782SS**  109.636.1123.600000121.1
708G30.5Very low31.4Very low69 Ų69132.2 Ų132.271%0.71178%0.783SS**  trans89.8116.4138.800000122.1
709S27.9Very low31.8Very low124 Ų124133.3 Ų133.387%0.86778%0.781SS**  trans78.2148.4138.6-570000121.9
710S33.2Very low32Very low113 Ų113134.9 Ų134.979%0.7979%0.785SS**  trans-148.2-166.1179.8-35.10000107.8
711P54.3Low32.5Very low108 Ų108130.7 Ų130.770%0.70178%0.775SS**  cis-135.8-163.2-20.436.6-15.4000113.5
712M26.3Very low33.3Very low172 Ų172134.8 Ų134.885%0.84778%0.777SS**  trans74.9165.7163.3-63.2178.368.400116.3
713I32.2Very low33.6Very low148 Ų148139 Ų13976%0.75978%0.775SS**  cis-146.7159.629.9-59.2155.8000112.3
714K35.2Very low34.5Very low200 Ų200137 Ų13787%0.8776%0.763SS**  trans-113.2136.7161.4-78.8-179175.4175.70110.7
715P48.8Very low35.4Very low118 Ų118138.7 Ų138.777%0.76677%0.765SS**  -139165.4106.422.4-1.4000111.9
716K30.5Very low35.7Very low210 Ų210139.9 Ų139.991%0.91377%0.771SS**  cis91.7108.123-166.9-177.4179.3-177.30115.5
717G29.5Very low36.4Very low69 Ų69139 Ų13971%0.71177%0.766SS**  trans113.4161164.100000115.2
718D30.6Very low36.7Very low129 Ų129143.7 Ų143.769%0.6978%0.775SS**  cis-172.8134.1-18-139-7.3000111.5
719K36.7Very low36.8Very low163 Ų163147.8 Ų147.871%0.70978%0.781SS**  trans55.3131.6171.1-71.7142.9-73.2-160.40117.6
720Q31.7Very low36.9Very low185 Ų185147.2 Ų147.286%0.86478%0.777SS**  167.516096.1-89.5-165.9-7.100107.8
721V36.8Very low36.7Very low113 Ų113144.5 Ų144.569%0.68577%0.767SS**  cis-147.7174.4-7.7960000109.2Y723V721-Y723 HydrophobicContact CG1-CD2 3.97Å; V721-Y723 HydrophobicContact CG1-CE2 4.09Å
722E40.4Very low35.5Very low151 Ų151149.3 Ų149.371%0.70678%0.777SS**  trans-116.5139.7176.9172.5-179.7-131.200110.9L724E722-L724 HydrophobicContact CG-CD2 4.48Å
723Y36.2Very low35.5Very low218 Ų218146.6 Ų146.686%0.85578%0.775SS**  trans-145.4145.6161.9-86.2-71.5000110.1V721V721-Y723 HydrophobicContact CG1-CD2 3.97Å; V721-Y723 HydrophobicContact CG1-CE2 4.09Å
724L43.9Very low35.4Very low123 Ų123145.9 Ų145.964%0.64478%0.777SS**  trans-104.3154.6-154.4-68.7164.9000114.7E722E722-L724 HydrophobicContact CG-CD2 4.48Å
725D47.9Very low36.5Very low133 Ų133141.8 Ų141.871%0.71177%0.771SS**  trans40.3134138.3-53.6-18.6000121
726L38.3Very low36.3Very low175 Ų175142.1 Ų142.192%0.91677%0.774SS**  -162.7156.294.3-100.2168.7000113.6
727D43.3Very low36.2Very low134 Ų134142.6 Ų142.672%0.71777%0.77SS**  trans-89.6166.7-177.2179.835.4000112.4
728L35.7Very low36.2Very low162 Ų162147.8 Ų147.885%0.84877%0.773SS**  trans154.9151.7135-81171.6000114.5
729D33Very low36.3Very low156 Ų156150 Ų15083%0.83478%0.779SS**  trans-114.4173.8-166.5-153.4-20.8000113.2
730S29.9Very low36Very low111 Ų111151.1 Ų151.178%0.77678%0.784SS**  trans75.5146.2169.6-153.50000118
731G28.8Very low35.8Very low57 Ų57148 Ų14859%0.58878%0.782SS**  cis161.2-177.1-3.400000113.2
732K29.9Very low35.5Very low209 Ų209149 Ų14991%0.90979%0.794SS**  trans77.3159.7175.1-49.5158.3179.5163.60115.2
733S26.6Very low34.9Very low115 Ų115145.8 Ų145.880%0.80480%0.802SS**  cis-155.1-1790.9-160.30000112
734T29.1Very low34.8Very low132 Ų132141.9 Ų141.981%0.8181%0.806SS**  trans-109.6-152-17359.20000114.5
735P58.4Low34.1Very low114 Ų114139.6 Ų139.674%0.7481%0.812SS**  -130.3177-121.140.6-19.9000117.9
736P45.2Very low33.4Very low126 Ų126138.8 Ų138.882%0.81882%0.817SS**  trans-138.5177.9158.339.7-25.4000114.8
737R28.6Very low33.2Very low220 Ų220135.3 Ų135.383%0.8381%0.808SS**  cis179114.7-46.8169.5177.4160136.3-7.5110
738K30.1Very low32.7Very low178 Ų178135.7 Ų135.777%0.77482%0.815SS**  trans47.8125.8159.6-64.8-170.6174.7-170.40121.3
739Q31Very low32.8Very low174 Ų174132.8 Ų132.881%0.81381%0.814SS**  161.4135.7114.2-85-161.394.500108.9
740K31.2Very low32.8Very low187 Ų187131.9 Ų131.981%0.81381%0.809SS**  cis95.589.942.1-169.7-154.1175.7-169.80112.9
741S28.1Very low33.4Very low120 Ų120135.3 Ų135.384%0.83981%0.813SS**  trans-157.1168.2155.458.30000110.4
742S29.1Very low34.1Very low133 Ų133142.9 Ų142.993%0.9382%0.824SS**  trans-116.6151.1-172.9-48.10000111.6
743G29Very low34.8Very low84 Ų84138.1 Ų138.187%0.86681%0.812SS**  trans-164.4141.7171.800000111.4
744S33.4Very low35.5Very low136 Ų136139.5 Ų139.595%0.95181%0.81SS**  trans-102.5148-178-169.30000111.4
745G30Very low36.2Very low75 Ų75142.2 Ų142.277%0.77381%0.807SS**  trans-171.6144.1177.500000110.6
746S32.2Very low36Very low116 Ų116142.3 Ų142.381%0.81181%0.805SS**  trans-97.1160.8-167.1-155.90000114.9
747S35.4Very low36.5Very low103 Ų103142.7 Ų142.772%0.7281%0.805SS**  trans-28.9131.416955.70000118.4
748V31.4Very low37.9Very low142 Ų142137.4 Ų137.486%0.86180%0.796SS**  trans-131141.9131179.30000106.8
749A39.5Very low39.6Very low100 Ų100131.7 Ų131.783%0.82678%0.775SS**  trans-87.3132.1173.600000109.8
750D32.6Very low41.2Very low137 Ų137130.7 Ų130.773%0.73377%0.77SS**  trans-123.8136.5171.6177.436.1000108.2R752D750-R752 VanDerWaalsContact C-N 3.31Å; D750-R752 PolarHBondContact O-N 3.13Å
751E41.2Very low42.8Very low183 Ų183129.3 Ų129.386%0.85577%0.766SS**  trans-80.479.1-169.4-166.7177.6135.400110.4V753E751-V753 PolarHBondContact O-N 3.49Å
752R44.3Very low44.2Very low217 Ų217130 Ų13082%0.81975%0.754SS**  trans-61.6108.8174.2-67.2-178.2-175.4154.15.5109.5D750 D754D750-R752 VanDerWaalsContact C-N 3.31Å; D750-R752 PolarHBondContact O-N 3.13Å; R752-D754 PolarHBondContact O-N 3.34Å
753V43.8Very low45.9Very low108 Ų108126 Ų12666%0.65572%0.724SS**  trans-50.9106.6161178.50000107.3E751 Y755E751-V753 PolarHBondContact O-N 3.49Å; V753-Y755 HydrophobicContact CB-CD2 4.37Å; V753-Y755 HydrophobicContact CB-CE2 4.23Å; V753-Y755 HydrophobicContact CG1-CD2 4.06Å; V753-Y755 HydrophobicContact CG1-CE2 3.92Å; V753-Y755 WeakPolarHBondContact O-CD2 3.39Å; V753-Y755 PolarHBondContact O-N 3Å
754D41.4Very low47.6Very low144 Ų144127 Ų12777%0.7771%0.709SS**  trans-75.881.2-176.7-163.726.6000108.7R752 V756R752-D754 PolarHBondContact O-N 3.34Å; D754-V756 PolarHBondContact O-N 3.13Å
755Y43.8Very low49.3Very low189 Ų189123 Ų12374%0.74168%0.684SS**  trans-58.294.1167.2-79.7-86.4000107.5V753 V757V753-Y755 HydrophobicContact CB-CD2 4.37Å; V753-Y755 HydrophobicContact CB-CE2 4.23Å; V753-Y755 HydrophobicContact CG1-CD2 4.06Å; V753-Y755 HydrophobicContact CG1-CE2 3.92Å; V753-Y755 WeakPolarHBondContact O-CD2 3.39Å; V753-Y755 PolarHBondContact O-N 3Å; Y755-V757 VanDerWaalsContact C-N 3.33Å; Y755-V757 PolarHBondContact O-N 3.15Å
756V54.3Low50.9Low116 Ų116125.5 Ų125.570%0.70368%0.679SS**  trans-51.4101.8173.4177.20000107.3D754 V758D754-V756 PolarHBondContact O-N 3.13Å; V756-V758 VanDerWaalsContact C-N 3.32Å; V756-V758 WeakPolarHBondContact O-CG2 3.39Å; V756-V758 PolarHBondContact O-N 3.17Å
757V57Low52.7Low134 Ų134126.6 Ų126.681%0.81267%0.669SS**  trans-63.5100.2179.9175.80000105.6Y755 D759Y755-V757 VanDerWaalsContact C-N 3.33Å; Y755-V757 PolarHBondContact O-N 3.15Å; V757-D759 VanDerWaalsContact C-N 3.27Å; V757-D759 PolarHBondContact O-N 2.88Å
758V57.9Low54.3Low109 Ų109125.1 Ų125.166%0.66166%0.659SS**  trans-67.496.1-175.6-167.30000106.6V756 Q760 T763V756-V758 VanDerWaalsContact C-N 3.32Å; V756-V758 WeakPolarHBondContact O-CG2 3.39Å; V756-V758 PolarHBondContact O-N 3.17Å; V758-Q760 PolarHBondContact O-N 3.41Å; V758-T763 WeakPolarHBondContact CG1-OG1 3.2Å; V758-T763 PolarHBondContact O-OG1 2.78Å
759D64.1Low56.2Low59 Ų59122 Ų12232%0.31664%0.64SS.*  trans-37.5113.2-173.4173.8-16.2000109.6V757 Q761 K762 T763V757-D759 VanDerWaalsContact C-N 3.27Å; V757-D759 PolarHBondContact O-N 2.88Å; D759-Q761 PolarHBondContact O-N 3.23Å; D759-Q761 WeakPolarHBondContact OD1-CB 3.27Å; D759-Q761 PolarHBondContact OD1-N 2.92Å; D759-K762 HydrophobicContact CB-CB 3.99Å; D759-K762 HydrophobicContact CB-CD 4.04Å; D759-K762 HydrophobicContact CB-CG 4.01Å; D759-K762 CarbonylContact O-C 3.58Å; D759-K762 WeakPolarHBondContact O-CA 3.43Å; D759-K762 PolarHBondContact O-N 3.12Å; D759-K762 PolarHBondContact OD1-N 2.8Å; D759-K762 WeakPolarHBondContact OD2-CE 3.21Å; D759-K762 WeakPolarHBondContact OD2-CG 3.49Å; D759-K762 IonicContact OD2-NZ 2.7Å; D759-K762 PolarHBondContact OD2-NZ 3.23Å; D759-T763 PolarHBondContact O-N 3.11Å; D759-T763 PolarHBondContact O-OG1 3.37Å
760Q65.5Low57.7Low152 Ų152126.8 Ų126.871%0.7164%0.637SS**Hα-helixtrans-66-27.9-168.5-156.4172.253.300110.4V758 T763 L764V758-Q760 PolarHBondContact O-N 3.41Å; Q760-T763 PolarHBondContact O-N 2.91Å; Q760-L764 VanDerWaalsContact O-CB 3.31Å; Q760-L764 WeakPolarHBondContact O-CB 3.22Å; Q760-L764 WeakPolarHBondContact O-CD1 3.12Å; Q760-L764 WeakPolarHBondContact O-CG 3.35Å; Q760-L764 PolarHBondContact O-N 2.96Å
761Q64.6Low59.2Low158 Ų158126.5 Ų126.574%0.73863%0.631SS**Hα-helixtrans-71.5-40.7172.4-61.1-173.4-10.200111.6D759 T763 L764 A765D759-Q761 PolarHBondContact O-N 3.23Å; D759-Q761 WeakPolarHBondContact OD1-CB 3.27Å; D759-Q761 PolarHBondContact OD1-N 2.92Å; Q761-T763 VanDerWaalsContact C-N 3.34Å; Q761-T763 PolarHBondContact O-N 2.96Å; Q761-L764 PolarHBondContact O-N 3.09Å; Q761-A765 VanDerWaalsContact O-CB 3.25Å; Q761-A765 WeakPolarHBondContact O-CB 3.45Å; Q761-A765 PolarHBondContact O-N 3.12Å
762K57Low60.4Low136 Ų136120.5 Ų120.559%0.59161%0.613SS**Hα-helixtrans-65.3-36.6172.1-69.7-176.8-17498.20112.4D759 A765 L766D759-K762 HydrophobicContact CB-CB 3.99Å; D759-K762 HydrophobicContact CB-CD 4.04Å; D759-K762 HydrophobicContact CB-CG 4.01Å; D759-K762 CarbonylContact O-C 3.58Å; D759-K762 WeakPolarHBondContact O-CA 3.43Å; D759-K762 PolarHBondContact O-N 3.12Å; D759-K762 PolarHBondContact OD1-N 2.8Å; D759-K762 WeakPolarHBondContact OD2-CE 3.21Å; D759-K762 WeakPolarHBondContact OD2-CG 3.49Å; D759-K762 IonicContact OD2-NZ 2.7Å; D759-K762 PolarHBondContact OD2-NZ 3.23Å; K762-A765 PolarHBondContact O-N 3.09Å; K762-L766 WeakPolarHBondContact O-CB 3.44Å; K762-L766 PolarHBondContact O-N 2.73Å
763T64.9Low61.1Low49 Ų49119.1 Ų119.130%0.30161%0.608SS.*Hα-helixtrans-67.3-42.4176.6-53.20000111.3V758 D759 Q760 Q761 L766 K767V758-T763 WeakPolarHBondContact CG1-OG1 3.2Å; V758-T763 PolarHBondContact O-OG1 2.78Å; D759-T763 PolarHBondContact O-N 3.11Å; D759-T763 PolarHBondContact O-OG1 3.37Å; Q760-T763 PolarHBondContact O-N 2.91Å; Q761-T763 VanDerWaalsContact C-N 3.34Å; Q761-T763 PolarHBondContact O-N 2.96Å; T763-L766 PolarHBondContact O-N 3.39Å; T763-K767 PolarHBondContact O-N 2.9Å
764L66.1Low61.7Low104 Ų104118.1 Ų118.155%0.54560%0.602SS.*Hα-helixtrans-68.4-38.7173.8-72.6168000111.8Q760 Q761 K767 S768Q760-L764 VanDerWaalsContact O-CB 3.31Å; Q760-L764 WeakPolarHBondContact O-CB 3.22Å; Q760-L764 WeakPolarHBondContact O-CD1 3.12Å; Q760-L764 WeakPolarHBondContact O-CG 3.35Å; Q760-L764 PolarHBondContact O-N 2.96Å; Q761-L764 PolarHBondContact O-N 3.09Å; L764-K767 PolarHBondContact O-N 3.34Å; L764-S768 VanDerWaalsContact O-CB 3.24Å; L764-S768 WeakPolarHBondContact O-CB 3.25Å; L764-S768 PolarHBondContact O-N 2.73Å
765A68.1Low62.2Low52 Ų52116 Ų11643%0.4359%0.591SS.*Hα-helixtrans-63.8-39.9173.800000112Q761 K762 T769Q761-A765 VanDerWaalsContact O-CB 3.25Å; Q761-A765 WeakPolarHBondContact O-CB 3.45Å; Q761-A765 PolarHBondContact O-N 3.12Å; K762-A765 PolarHBondContact O-N 3.09Å; A765-T769 VanDerWaalsContact O-CB 3.24Å; A765-T769 WeakPolarHBondContact O-CB 3.48Å; A765-T769 PolarHBondContact O-N 3.3Å; A765-T769 PolarHBondContact O-OG1 3.02Å
766L64.7Low62.6Low128 Ų128109.2 Ų109.267%0.6758%0.578SS**Hα-helixtrans-66.3-39.4173.6-88.7162.3000112.5K762 T763 R770K762-L766 WeakPolarHBondContact O-CB 3.44Å; K762-L766 PolarHBondContact O-N 2.73Å; T763-L766 PolarHBondContact O-N 3.39Å; L766-R770 VanDerWaalsContact O-CB 3.29Å; L766-R770 WeakPolarHBondContact O-CB 3.5Å; L766-R770 PolarHBondContact O-N 3.21Å
767K68.9Low62.4Low138 Ų138112.4 Ų112.460%0.658%0.577SS**Hα-helixtrans-65.5-51.9172.8-78.6-173174.3-1730111.7T763 L764 T769 R770 E771T763-K767 PolarHBondContact O-N 2.9Å; L764-K767 PolarHBondContact O-N 3.34Å; K767-T769 VanDerWaalsContact C-N 3.32Å; K767-T769 PolarHBondContact O-N 3.28Å; K767-R770 CarbonylContact O-C 3.59Å; K767-R770 WeakPolarHBondContact O-CA 3.28Å; K767-R770 WeakPolarHBondContact O-CB 3.44Å; K767-R770 PolarHBondContact O-N 3.48Å; K767-R770 VanDerWaalsContact O-N 3.08Å; K767-E771 VanDerWaalsContact O-CB 3.31Å; K767-E771 WeakPolarHBondContact O-CB 3.27Å; K767-E771 PolarHBondContact O-N 3.04Å
768S69.8Low61.9Low72 Ų72112.2 Ų112.250%0.50357%0.567SS.*Hα-helixtrans-60.8-38.5178.9175.90000112.3L764 E771 A772L764-S768 VanDerWaalsContact O-CB 3.24Å; L764-S768 WeakPolarHBondContact O-CB 3.25Å; L764-S768 PolarHBondContact O-N 2.73Å; S768-E771 PolarHBondContact O-N 2.67Å; S768-A772 VanDerWaalsContact O-CB 3.32Å; S768-A772 WeakPolarHBondContact O-CB 3.26Å; S768-A772 PolarHBondContact O-N 2.69Å
769T71.5Confident61.4Low76 Ų76109.8 Ų109.847%0.46656%0.555SS.*Hα-helixtrans-64.6-46.6172.1-56.30000110.9A765 K767 E771 A772 W773A765-T769 VanDerWaalsContact O-CB 3.24Å; A765-T769 WeakPolarHBondContact O-CB 3.48Å; A765-T769 PolarHBondContact O-N 3.3Å; A765-T769 PolarHBondContact O-OG1 3.02Å; K767-T769 VanDerWaalsContact C-N 3.32Å; K767-T769 PolarHBondContact O-N 3.28Å; T769-E771 VanDerWaalsContact C-N 3.25Å; T769-E771 PolarHBondContact O-N 2.82Å; T769-A772 PolarHBondContact O-N 3.21Å; T769-W773 WeakPolarHBondContact O-CB 3.07Å; T769-W773 PolarHBondContact O-N 2.63Å
770R70.1Confident60.4Low201 Ų201112.6 Ų112.676%0.75858%0.575SS**Hα-helixtrans-59.2-38176.4176.4178.3174.6175.2-2112.2L766 K767 T774L766-R770 VanDerWaalsContact O-CB 3.29Å; L766-R770 WeakPolarHBondContact O-CB 3.5Å; L766-R770 PolarHBondContact O-N 3.21Å; K767-R770 CarbonylContact O-C 3.59Å; K767-R770 WeakPolarHBondContact O-CA 3.28Å; K767-R770 WeakPolarHBondContact O-CB 3.44Å; K767-R770 PolarHBondContact O-N 3.48Å; K767-R770 VanDerWaalsContact O-N 3.08Å; R770-T774 PolarHBondContact O-N 3.45Å; R770-T774 PolarHBondContact O-OG1 3.11Å
771E65.2Low59.2Low132 Ų132113.3 Ų113.362%0.61758%0.578SS**Hα-helixtrans-73.1-45.8-179.1-168.7160.7-146.500111.8K767 S768 T769 W773 T774 D775K767-E771 VanDerWaalsContact O-CB 3.31Å; K767-E771 WeakPolarHBondContact O-CB 3.27Å; K767-E771 PolarHBondContact O-N 3.04Å; S768-E771 PolarHBondContact O-N 2.67Å; T769-E771 VanDerWaalsContact C-N 3.25Å; T769-E771 PolarHBondContact O-N 2.82Å; E771-W773 VanDerWaalsContact C-N 3.28Å; E771-W773 PolarHBondContact O-N 2.95Å; E771-T774 WeakPolarHBondContact CA-OG1 3.41Å; E771-T774 PolarHBondContact O-N 3.12Å; E771-T774 PolarHBondContact O-OG1 3.38Å; E771-D775 PolarHBondContact O-N 2.62Å
772A65.7Low58.1Low56 Ų56110.4 Ų110.446%0.46358%0.575SS.*Hα-helixtrans-61.6-33.4172.600000112.9S768 T769 T774 G776S768-A772 VanDerWaalsContact O-CB 3.32Å; S768-A772 WeakPolarHBondContact O-CB 3.26Å; S768-A772 PolarHBondContact O-N 2.69Å; T769-A772 PolarHBondContact O-N 3.21Å; A772-T774 VanDerWaalsContact C-N 3.27Å; A772-T774 PolarHBondContact O-N 2.81Å; A772-G776 PolarHBondContact O-N 2.87Å
773W59.7Low57.3Low189 Ų189112 Ų11272%0.71659%0.585SS**Hα-helixtrans-74.2-13.8174.3-80.356.3000113.9T769 E771T769-W773 WeakPolarHBondContact O-CB 3.07Å; T769-W773 PolarHBondContact O-N 2.63Å; E771-W773 VanDerWaalsContact C-N 3.28Å; E771-W773 PolarHBondContact O-N 2.95Å
774T55.9Low55.8Low86 Ų86115.7 Ų115.753%0.52861%0.607SS.*Hα-helixtrans-93.4-40.4167.241.90000112.5R770 E771 A772 R777R770-T774 PolarHBondContact O-N 3.45Å; R770-T774 PolarHBondContact O-OG1 3.11Å; E771-T774 WeakPolarHBondContact CA-OG1 3.41Å; E771-T774 PolarHBondContact O-N 3.12Å; E771-T774 PolarHBondContact O-OG1 3.38Å; A772-T774 VanDerWaalsContact C-N 3.27Å; A772-T774 PolarHBondContact O-N 2.81Å; T774-R777 PolarHBondContact O-N 3.18Å; T774-R777 VanDerWaalsContact O-N 3.14Å
775D50.7Low54.5Low101 Ų101116.5 Ų116.554%0.5462%0.619SS.*Hα-helixtrans-62.7-46.8179.3-176.537.6000111.6E771 R777 Q778 S779E771-D775 PolarHBondContact O-N 2.62Å; D775-R777 PolarHBondContact O-N 3.42Å; D775-Q778 WeakPolarHBondContact O-CA 3.38Å; D775-Q778 PolarHBondContact O-N 2.56Å; D775-S779 PolarHBondContact O-N 2.84Å; D775-S779 PolarHBondContact O-OG 3.4Å
776G52.7Low53.3Low45 Ų45120.6 Ų120.646%0.46464%0.639SS.*THydrogen-bonded Turntrans-64.77.5173.800000116A772A772-G776 PolarHBondContact O-N 2.87Å
777R50.8Low51.8Low183 Ų183123.9 Ų123.969%0.69165%0.648SS**THydrogen-bonded Turntrans-114.6-1.4167.5-64.9178.9174-88.1-2.5113.3T774 D775T774-R777 PolarHBondContact O-N 3.18Å; T774-R777 VanDerWaalsContact O-N 3.14Å; D775-R777 PolarHBondContact O-N 3.42Å
778Q47.2Very low50.1Low130 Ų130121.6 Ų121.661%0.60765%0.649SS**THydrogen-bonded Turntrans-107.8-41.3173.4-61.7-69.2-10400110.1D775 T780 E781D775-Q778 WeakPolarHBondContact O-CA 3.38Å; D775-Q778 PolarHBondContact O-N 2.56Å; Q778-T780 PolarHBondContact O-N 2.62Å; Q778-E781 PolarHBondContact O-N 3.28Å
779S46.6Very low48.3Very low58 Ų58124.6 Ų124.641%0.40666%0.664SS.*THydrogen-bonded Turntrans-63.8-14.1178.9-6.40000114.2D775 S782D775-S779 PolarHBondContact O-N 2.84Å; D775-S779 PolarHBondContact O-OG 3.4Å; S779-S782 PolarHBondContact O-OG 3.26Å
780T42.2Very low46.6Very low118 Ų118133.5 Ų133.572%0.72470%0.696SS**THydrogen-bonded Turntrans-87.5-4.3175.2570000114.5Q778Q778-T780 PolarHBondContact O-N 2.62Å
781E41.2Very low45.4Very low167 Ų167130.1 Ų130.178%0.7869%0.693SS**THydrogen-bonded Turntrans-102.4-14.5178-161.1167.9127.500112.3Q778Q778-E781 PolarHBondContact O-N 3.28Å
782S41.3Very low44.4Very low97 Ų97130 Ų13068%0.67870%0.697SS**SBendtrans-1001.1-167.953.90000116.6S779S779-S782 PolarHBondContact O-OG 3.26Å
783E40.2Very low43.2Very low169 Ų169134.1 Ų134.179%0.7971%0.71SS**  trans-129.283.7-178.6-161.3178.4156.200113.6
784T34Very low42.2Very low127 Ų127130.9 Ų130.978%0.77971%0.71SS**  trans-127.6104.5157.456.10000109.4
785P37.9Very low41.4Very low122 Ų122133.7 Ų133.779%0.79272%0.721SS**  trans-71.8145.1-178.328.7-34.4000112.1
786T42.2Very low40.8Very low137 Ų137135.9 Ų135.984%0.8473%0.733SS**  trans-85.1131.4179.246.20000112
787K33.5Very low39.9Very low197 Ų197142.4 Ų142.486%0.85775%0.753SS**  trans-170.7119.3136.7-112.1-178.4179.5177.60116.7
788S33.5Very low39.1Very low90 Ų90139.2 Ų139.263%0.62976%0.757SS**  46.1127.8125.669.10000123
789V32.4Very low38.4Very low136 Ų136140 Ų14082%0.82477%0.77SS**  trans73.7111.3135.31760000118.4
790K35.5Very low37.6Very low262 Ų262147.5 Ų147.5100%1.13980%0.803SS**  -130.60110.9-170.861.9176.8-176.30109.7

Retrieved 790 of 790 residues in 374 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).