A0A087Y4Q4_POEFO Loading...

Cell division cycle protein 27 homolog

AlphaFold DB , UniProt , Accession A0A087Y4Q4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 439 aa.

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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
1M38.7Very low37.3Very low248 Ų248145.2 Ų145.2100%1.22287%0.869SS**  0104.60-86.5169.2156.300105.8
2A34.2Very low38.3Very low103 Ų103149 Ų14985%0.85187%0.871SS**  trans-84127.4-178.600000108.7
3E34.1Very low40.3Very low191 Ų191145.2 Ų145.289%0.89387%0.867SS**  trans-67.2128171.4-72.6172.4153.400108.8
4K36Very low43Very low205 Ų205142.7 Ų142.789%0.89184%0.84SS**  trans-82.3109.7169.3-87.8-179.7170.5-177.60107.4E6K4-E6 PolarHBondContact O-N 3.49Å
5E33.3Very low46.1Very low193 Ų193138.9 Ų138.990%0.90282%0.818SS**  trans-74.1117.1157-79.2-179.1151.200108.5S7E5-S7 PolarHBondContact O-N 3.35Å
6E34.8Very low48.9Very low183 Ų183135.7 Ų135.786%0.85579%0.793SS**  trans-67.3113.2166.6-74.8177.7144.500109K4 S8K4-E6 PolarHBondContact O-N 3.49Å; E6-S8 VanDerWaalsContact C-N 3.34Å; E6-S8 PolarHBondContact O-N 3.07Å
7S35.6Very low51.4Low121 Ų121130.4 Ų130.485%0.84676%0.76SS**  trans-77.187.8165.673.90000109.1E5 G9E5-S7 PolarHBondContact O-N 3.35Å; S7-G9 PolarHBondContact O-N 3.27Å
8S38.8Very low53.8Low107 Ų107128.3 Ų128.375%0.74874%0.742SS**  trans-69.9110.3163.158.90000108.5E6 A10E6-S8 VanDerWaalsContact C-N 3.34Å; E6-S8 PolarHBondContact O-N 3.07Å; S8-A10 PolarHBondContact O-N 3.36Å
9G39.2Very low55.9Low81 Ų81125.1 Ų125.184%0.83572%0.721SS**  trans-62.8101170.300000110.2S7 G11S7-G9 PolarHBondContact O-N 3.27Å; G9-G11 PolarHBondContact O-N 2.99Å
10A40.9Very low57.9Low92 Ų92119.1 Ų119.176%0.7669%0.686SS**  trans-72.9112.1167.400000108.1S8 E12S8-A10 PolarHBondContact O-N 3.36Å; A10-E12 PolarHBondContact O-N 3.31Å
11G44.8Very low59.8Low73 Ų73117.4 Ų117.475%0.75367%0.671SS**PPolyproline II helixtrans-62.5122.6165.800000108.9G9 A13G9-G11 PolarHBondContact O-N 2.99Å; G11-A13 PolarHBondContact O-N 3.33Å
12E49.1Very low62.6Low191 Ų191108.5 Ų108.589%0.89363%0.626SS**PPolyproline II helixtrans-56.5126.8176.1-72.9178.5153.700110A10 K14A10-E12 PolarHBondContact O-N 3.31Å; E12-K14 PolarHBondContact O-N 2.72Å
13A64.8Low65.6Low100 Ų100104.7 Ų104.783%0.82659%0.592SS**PPolyproline II helixtrans-65125.7176.600000109.7G11G11-A13 PolarHBondContact O-N 3.33Å
14K78.3Confident68.6Low110 Ų11095.6 Ų95.648%0.47855%0.549SS..PPolyproline II helixtrans-60.3138.9179.1-65.6-173.8-176.1-171.70110.7E12 I19 E22E12-K14 PolarHBondContact O-N 2.72Å; K14-I19 HydrophobicContact CB-CG1 4.08Å; K14-E22 WeakPolarHBondContact CE-OE1 3.39Å; K14-E22 IonicContact NZ-OE1 2.72Å; K14-E22 PolarHBondContact NZ-OE1 2.65Å; K14-E22 IonicContact NZ-OE2 2.65Å; K14-E22 PolarHBondContact NZ-OE2 3.36Å
15T89.1Confident71.6Confident85 Ų8588.2 Ų88.252%0.52152%0.52SS..PPolyproline II helixtrans-70.8154.8173.766.30000110.8L17 Q18 I19T15-L17 PolarHBondContact O-N 3.11Å; T15-Q18 WeakPolarHBondContact O-CB 3.39Å; T15-Q18 PolarHBondContact O-N 2.75Å; T15-Q18 WeakPolarHBondContact OG1-CB 3.36Å; T15-Q18 PolarHBondContact OG1-N 2.92Å; T15-I19 PolarHBondContact O-N 3.42Å
16E90.6Very high74.7Confident88 Ų8884.2 Ų84.241%0.41150%0.501SS..Hα-helixtrans-54.9-39.9176.6-71.7-77.1-169.100112.5Q18 I19 I20 K64E16-Q18 VanDerWaalsContact C-N 3.32Å; E16-Q18 PolarHBondContact O-N 3.1Å; E16-I19 PolarHBondContact O-N 3.34Å; E16-I20 WeakPolarHBondContact O-CG1 3.18Å; E16-I20 PolarHBondContact O-N 2.88Å; E16-K64 VanDerWaalsContact CD-NZ 3.25Å; E16-K64 IonicContact OE1-NZ 2.75Å; E16-K64 PolarHBondContact OE1-NZ 2.88Å; E16-K64 WeakPolarHBondContact OE2-CE 3.43Å; E16-K64 IonicContact OE2-NZ 3.11Å; E16-K64 PolarHBondContact OE2-NZ 2.99Å; E16-K64 VanDerWaalsContact OE2-NZ 3.11Å
17L91.8Very high77.7Confident45 Ų4575.5 Ų75.524%0.23646%0.46CS..Hα-helixtrans-64.7-36.3176.3-73.1169.7000112.5T15 I20 K21 L68 F74T15-L17 PolarHBondContact O-N 3.11Å; L17-I20 PolarHBondContact O-N 3.31Å; L17-K21 WeakPolarHBondContact O-CB 3.34Å; L17-K21 PolarHBondContact O-N 3.43Å; L17-L68 HydrophobicContact CD2-CD1 4.03Å; L17-F74 HydrophobicContact CD2-CB 3.92Å
18Q94.3Very high80.6Confident93 Ų9370.8 Ų70.844%0.43543%0.425SS..Hα-helixtrans-68.6-39.4177.3-171.3168.115.600111.5T15 E16 K21 E22T15-Q18 WeakPolarHBondContact O-CB 3.39Å; T15-Q18 PolarHBondContact O-N 2.75Å; T15-Q18 WeakPolarHBondContact OG1-CB 3.36Å; T15-Q18 PolarHBondContact OG1-N 2.92Å; E16-Q18 VanDerWaalsContact C-N 3.32Å; E16-Q18 PolarHBondContact O-N 3.1Å; Q18-K21 PolarHBondContact O-N 3.17Å; Q18-E22 VanDerWaalsContact O-CG 3.31Å; Q18-E22 WeakPolarHBondContact O-CG 3.35Å; Q18-E22 PolarHBondContact O-N 2.98Å
19I94.6Very high83.4Confident68 Ų6870.4 Ų70.435%0.34941%0.414SS..Hα-helixtrans-61.8-46.4173.9-63.6168.5000110.2K14 T15 E16 K21 E22 L23K14-I19 HydrophobicContact CB-CG1 4.08Å; T15-I19 PolarHBondContact O-N 3.42Å; E16-I19 PolarHBondContact O-N 3.34Å; I19-K21 VanDerWaalsContact C-N 3.35Å; I19-K21 PolarHBondContact O-N 3.03Å; I19-E22 PolarHBondContact O-N 3.43Å; I19-L23 HydrophobicContact CG2-CD1 4.31Å; I19-L23 WeakPolarHBondContact O-CG 3.31Å; I19-L23 PolarHBondContact O-N 3.32Å
20I95.8Very high86.2Confident4 Ų468.8 Ų68.82%0.02138%0.384CS..Hα-helixtrans-59.9-45.4177.8-72.3169.5000111.4E16 L17 L23 V24 L61 K64 L68 F74 Q77E16-I20 WeakPolarHBondContact O-CG1 3.18Å; E16-I20 PolarHBondContact O-N 2.88Å; L17-I20 PolarHBondContact O-N 3.31Å; I20-L23 PolarHBondContact O-N 3.06Å; I20-V24 WeakPolarHBondContact O-CG2 3.45Å; I20-V24 PolarHBondContact O-N 3.32Å; I20-V24 VanDerWaalsContact O-N 3.12Å; I20-L61 HydrophobicContact CG2-CD1 3.99Å; I20-L61 HydrophobicContact CG2-CD2 4.11Å; I20-L61 HydrophobicContact CG2-CG 3.8Å; I20-K64 HydrophobicContact CD1-CB 4.09Å; I20-K64 HydrophobicContact CD1-CG 4.21Å; I20-L68 HydrophobicContact CD1-CD1 3.67Å; I20-F74 HydrophobicContact CD1-CD2 3.69Å; I20-F74 HydrophobicContact CD1-CE2 3.84Å; I20-Q77 HydrophobicContact CG2-CB 3.65Å; I20-Q77 HydrophobicContact CG2-CG 4.09Å
21K96.5Very high88.8Confident85 Ų8566.9 Ų66.937%0.3736%0.357SS..Hα-helixtrans-60.9-45.6177.5-179.8171.9179.2168.20111.9L17 Q18 I19 L23 V24 D25 Q77L17-K21 WeakPolarHBondContact O-CB 3.34Å; L17-K21 PolarHBondContact O-N 3.43Å; Q18-K21 PolarHBondContact O-N 3.17Å; I19-K21 VanDerWaalsContact C-N 3.35Å; I19-K21 PolarHBondContact O-N 3.03Å; K21-L23 VanDerWaalsContact C-N 3.34Å; K21-L23 PolarHBondContact O-N 3.44Å; K21-V24 PolarHBondContact O-N 3.31Å; K21-D25 WeakPolarHBondContact O-CB 3.37Å; K21-D25 VanDerWaalsContact O-CG 3.29Å; K21-D25 PolarHBondContact O-N 3.26Å; K21-Q77 HydrophobicContact CB-CG 4.36Å
22E97.5Very high91.1Very high60 Ų6066.4 Ų66.428%0.2834%0.338SS..Hα-helixtrans-60.7-41.3177.7-74172.9-177.900112.2K14 Q18 I19 V24 D25 E26K14-E22 WeakPolarHBondContact CE-OE1 3.39Å; K14-E22 IonicContact NZ-OE1 2.72Å; K14-E22 PolarHBondContact NZ-OE1 2.65Å; K14-E22 IonicContact NZ-OE2 2.65Å; K14-E22 PolarHBondContact NZ-OE2 3.36Å; Q18-E22 VanDerWaalsContact O-CG 3.31Å; Q18-E22 WeakPolarHBondContact O-CG 3.35Å; Q18-E22 PolarHBondContact O-N 2.98Å; I19-E22 PolarHBondContact O-N 3.43Å; E22-V24 VanDerWaalsContact C-N 3.33Å; E22-V24 PolarHBondContact O-N 3.01Å; E22-D25 PolarHBondContact O-N 3.45Å; E22-E26 WeakPolarHBondContact O-CG 3.42Å; E22-E26 PolarHBondContact O-N 3.4Å
23L97.7Very high93.3Very high23 Ų2358.7 Ų58.712%0.1230%0.304CS..Hα-helixtrans-60.6-41.8175.5-70.8172.1000112.4I19 I20 K21 L27 T57 R60I19-L23 HydrophobicContact CG2-CD1 4.31Å; I19-L23 WeakPolarHBondContact O-CG 3.31Å; I19-L23 PolarHBondContact O-N 3.32Å; I20-L23 PolarHBondContact O-N 3.06Å; K21-L23 VanDerWaalsContact C-N 3.34Å; K21-L23 PolarHBondContact O-N 3.44Å; L23-L27 PolarHBondContact O-N 3.43Å; L23-L27 VanDerWaalsContact O-N 3.12Å; L23-T57 HydrophobicContact CB-CG2 4.23Å; L23-R60 HydrophobicContact CD1-CB 4.15Å
24V98.1Very high94.8Very high0 Ų053.9 Ų53.90%027%0.265CS..Hα-helixtrans-72.1-38178.1174.60000111.2I20 K21 E22 E26 L27 H28 T57 L61 Q77 R80 C81I20-V24 WeakPolarHBondContact O-CG2 3.45Å; I20-V24 PolarHBondContact O-N 3.32Å; I20-V24 VanDerWaalsContact O-N 3.12Å; K21-V24 PolarHBondContact O-N 3.31Å; E22-V24 VanDerWaalsContact C-N 3.33Å; E22-V24 PolarHBondContact O-N 3.01Å; V24-E26 VanDerWaalsContact C-N 3.34Å; V24-L27 WeakPolarHBondContact O-CB 3.49Å; V24-L27 PolarHBondContact O-N 2.97Å; V24-H28 PolarHBondContact O-CD2 3Å; V24-H28 PolarHBondContact O-N 3.33Å; V24-T57 HydrophobicContact CG2-CG2 4.15Å; V24-L61 HydrophobicContact CG2-CD1 4.36Å; V24-L61 HydrophobicContact CG2-CD2 4.13Å; V24-Q77 HydrophobicContact CG2-CB 4.22Å; V24-R80 HydrophobicContact CG1-CB 3.56Å; V24-C81 HydrophobicContact CG2-CB 4.24Å
25D98.1Very high95.7Very high51 Ų5150.4 Ų50.427%0.27325%0.25SC..Hα-helixtrans-61.7-42173.3-71.7-21.6000111K21 E22 L27 H28 N29 R80K21-D25 WeakPolarHBondContact O-CB 3.37Å; K21-D25 VanDerWaalsContact O-CG 3.29Å; K21-D25 PolarHBondContact O-N 3.26Å; E22-D25 PolarHBondContact O-N 3.45Å; D25-L27 VanDerWaalsContact C-N 3.33Å; D25-L27 PolarHBondContact O-N 2.93Å; D25-H28 PolarHBondContact O-N 2.6Å; D25-N29 WeakPolarHBondContact O-CB 3.26Å; D25-N29 PolarHBondContact O-N 3.03Å; D25-N29 PolarHBondContact O-ND2 3.4Å; D25-R80 IonicContact OD1-CZ 2.68Å; D25-R80 IonicContact OD1-NH1 3.58Å; D25-R80 PolarHBondContact OD1-NH1 3.06Å; D25-R80 IonicContact OD1-NH2 3.64Å; D25-R80 PolarHBondContact OD1-NH2 2.99Å
26E98Very high95.9Very high108 Ų10851.9 Ų51.951%0.50525%0.251SS..Hα-helixtrans-62.1-37.3173.9-76177.9-166.600113.1E22 V24 F30E22-E26 WeakPolarHBondContact O-CG 3.42Å; E22-E26 PolarHBondContact O-N 3.4Å; V24-E26 VanDerWaalsContact C-N 3.34Å; E26-F30 VanDerWaalsContact O-CB 3.28Å; E26-F30 WeakPolarHBondContact O-CB 3.48Å; E26-F30 PolarHBondContact O-N 3.33Å
27L98.3Very high96Very high0 Ų052.6 Ų52.60%026%0.262CS..Hα-helixtrans-64.4-47.2174.3169.862.9000111.6L23 V24 D25 F30 R31 K53 M54 T57 C81 V84L23-L27 PolarHBondContact O-N 3.43Å; L23-L27 VanDerWaalsContact O-N 3.12Å; V24-L27 WeakPolarHBondContact O-CB 3.49Å; V24-L27 PolarHBondContact O-N 2.97Å; D25-L27 VanDerWaalsContact C-N 3.33Å; D25-L27 PolarHBondContact O-N 2.93Å; L27-F30 WeakPolarHBondContact O-CB 3.43Å; L27-F30 PolarHBondContact O-N 3.1Å; L27-R31 PolarHBondContact O-N 3.09Å; L27-R31 VanDerWaalsContact O-N 3.1Å; L27-K53 HydrophobicContact CD1-CB 3.91Å; L27-K53 HydrophobicContact CD1-CD 4.09Å; L27-K53 HydrophobicContact CD1-CG 3.86Å; L27-M54 HydrophobicContact CD1-CB 4.32Å; L27-M54 HydrophobicContact CD2-CB 4.3Å; L27-M54 HydrophobicContact CD2-CG 4.4Å; L27-T57 HydrophobicContact CD2-CG2 4.31Å; L27-C81 HydrophobicContact CD2-CB 4.38Å; L27-V84 HydrophobicContact CD1-CG1 4.39Å; L27-V84 HydrophobicContact CD1-CG2 4.2Å; L27-V84 HydrophobicContact CD2-CB 4.28Å; L27-V84 HydrophobicContact CD2-CG1 4.16Å; L27-V84 HydrophobicContact CD2-CG2 4.44Å; L27-V84 HydrophobicContact CG-CB 4.4Å; L27-V84 HydrophobicContact CG-CG1 4.46Å; L27-V84 HydrophobicContact CG-CG2 4.02Å
28H97.1Very high96.2Very high23 Ų2352.5 Ų52.511%0.10626%0.26CS..Hα-helixtrans-66-43177.6-84.6-86.1000112.1V24 D25 F30 R31 D32 R80V24-H28 PolarHBondContact O-CD2 3Å; V24-H28 PolarHBondContact O-N 3.33Å; D25-H28 PolarHBondContact O-N 2.6Å; H28-F30 VanDerWaalsContact C-N 3.29Å; H28-F30 PolarHBondContact O-N 3.1Å; H28-R31 PolarHBondContact ND1-NH2 3.33Å; H28-R31 VanDerWaalsContact ND1-NH2 3.18Å; H28-R31 PolarHBondContact O-N 3.17Å; H28-R31 VanDerWaalsContact O-N 3.14Å; H28-D32 WeakPolarHBondContact O-CB 3.43Å; H28-D32 VanDerWaalsContact O-CG 3.27Å; H28-D32 PolarHBondContact O-N 3.41Å; H28-R80 PolarHBondContact NE2-O 3.23Å
29N96.8Very high96.3Very high99 Ų9949.1 Ų49.153%0.52925%0.249SC..Hα-helixtrans-59.7-40.7175-73.1-23.9000111.5D25 R31 D32 C33D25-N29 WeakPolarHBondContact O-CB 3.26Å; D25-N29 PolarHBondContact O-N 3.03Å; D25-N29 PolarHBondContact O-ND2 3.4Å; N29-R31 PolarHBondContact O-N 3.47Å; N29-D32 PolarHBondContact O-N 3.13Å; N29-C33 VanDerWaalsContact O-CB 3.27Å; N29-C33 WeakPolarHBondContact O-CB 3.37Å; N29-C33 PolarHBondContact O-N 3.28Å
30F97.4Very high96.3Very high46 Ų4648.1 Ų48.120%0.20225%0.246CC..Hα-helixtrans-60.7-42.7174.6176.5-98.8000112.6E26 L27 H28 Y34 H38 D49 V50 K53E26-F30 VanDerWaalsContact O-CB 3.28Å; E26-F30 WeakPolarHBondContact O-CB 3.48Å; E26-F30 PolarHBondContact O-N 3.33Å; L27-F30 WeakPolarHBondContact O-CB 3.43Å; L27-F30 PolarHBondContact O-N 3.1Å; H28-F30 VanDerWaalsContact C-N 3.29Å; H28-F30 PolarHBondContact O-N 3.1Å; F30-Y34 HydrophobicContact CE1-CD2 4.14Å; F30-Y34 HydrophobicContact CE1-CE2 4.29Å; F30-Y34 HydrophobicContact CE2-CD2 4.49Å; F30-Y34 HydrophobicContact CZ-CD2 4.01Å; F30-Y34 AromaticContact CZ-CE2 3.93Å; F30-Y34 HydrophobicContact CZ-CE2 3.93Å; F30-Y34 WeakPolarHBondContact O-CA 3.39Å; F30-Y34 WeakPolarHBondContact O-CB 3.42Å; F30-Y34 PolarHBondContact O-N 3.23Å; F30-H38 AromaticContact CE2-CE1 3.83Å; F30-D49 HydrophobicContact CE1-CB 4.15Å; F30-D49 HydrophobicContact CZ-CB 4.05Å; F30-V50 HydrophobicContact CD1-CG2 4.13Å; F30-V50 HydrophobicContact CE1-CG2 4.02Å; F30-K53 HydrophobicContact CB-CD 3.63Å; F30-K53 HydrophobicContact CD1-CB 4.33Å; F30-K53 HydrophobicContact CD1-CD 3.42Å; F30-K53 VanDerWaalsContact CD1-CD 3.42Å; F30-K53 HydrophobicContact CD2-CD 4.06Å; F30-K53 HydrophobicContact CE1-CB 4.38Å; F30-K53 HydrophobicContact CE1-CD 4.05Å; F30-K53 HydrophobicContact CG-CD 3.41Å; F30-K53 VanDerWaalsContact CG-CD 3.41Å
31R96.1Very high96.2Very high52 Ų5255.8 Ų55.820%0.19628%0.282CS..Hα-helixtrans-67.3-47176.9179.4-160.464.3-171.5-0.1112.2L27 H28 N29 R46 V50 V84L27-R31 PolarHBondContact O-N 3.09Å; L27-R31 VanDerWaalsContact O-N 3.1Å; H28-R31 PolarHBondContact ND1-NH2 3.33Å; H28-R31 VanDerWaalsContact ND1-NH2 3.18Å; H28-R31 PolarHBondContact O-N 3.17Å; H28-R31 VanDerWaalsContact O-N 3.14Å; N29-R31 PolarHBondContact O-N 3.47Å; R31-R46 VanDerWaalsContact CG-NH2 3.32Å; R31-R46 PolarHBondContact O-NH2 3.32Å; R31-V50 HydrophobicContact CB-CG1 4.19Å; R31-V50 HydrophobicContact CB-CG2 4Å; R31-V50 HydrophobicContact CG-CG1 4.14Å; R31-V50 HydrophobicContact CG-CG2 4.08Å; R31-V84 HydrophobicContact CB-CG2 4.06Å; R31-V84 VanDerWaalsContact CD-O 3.31Å; R31-V84 WeakPolarHBondContact CD-O 3.46Å; R31-V84 HydrophobicContact CG-CG2 4.28Å; R31-V84 PolarHBondContact NH1-O 2.94Å
32D94.2Very high96.2Very high63 Ų6353.8 Ų53.834%0.33727%0.274SS..Hα-helixtrans-76.3-34.1-170.6-66.6-15.5000111.4H28 N29 I222H28-D32 WeakPolarHBondContact O-CB 3.43Å; H28-D32 VanDerWaalsContact O-CG 3.27Å; H28-D32 PolarHBondContact O-N 3.41Å; N29-D32 PolarHBondContact O-N 3.13Å; D32-I222 HydrophobicContact CB-CG2 4.48Å
33C95.2Very high96.1Very high29 Ų2951.2 Ų51.220%0.19626%0.263CS..THydrogen-bonded Turntrans-104.722.3179.2-52.80000112.5N29 F35 E36N29-C33 VanDerWaalsContact O-CB 3.27Å; N29-C33 WeakPolarHBondContact O-CB 3.37Å; N29-C33 PolarHBondContact O-N 3.28Å; C33-F35 VanDerWaalsContact C-N 3.27Å; C33-F35 PolarHBondContact O-N 2.99Å; C33-E36 HydrophobicContact CB-CB 4.36Å; C33-E36 HydrophobicContact CB-CG 4.13Å; C33-E36 WeakPolarHBondContact O-CB 3.33Å; C33-E36 PolarHBondContact O-N 3.42Å
34Y96.4Very high96Very high0 Ų051.8 Ų51.80%028%0.275CS..Hα-helixtrans-52-45.8-175.9-173.4-95000112F30 E36 T37 H38 R46 D49F30-Y34 HydrophobicContact CE1-CD2 4.14Å; F30-Y34 HydrophobicContact CE1-CE2 4.29Å; F30-Y34 HydrophobicContact CE2-CD2 4.49Å; F30-Y34 HydrophobicContact CZ-CD2 4.01Å; F30-Y34 AromaticContact CZ-CE2 3.93Å; F30-Y34 HydrophobicContact CZ-CE2 3.93Å; F30-Y34 WeakPolarHBondContact O-CA 3.39Å; F30-Y34 WeakPolarHBondContact O-CB 3.42Å; F30-Y34 PolarHBondContact O-N 3.23Å; Y34-E36 VanDerWaalsContact C-N 3.27Å; Y34-E36 PolarHBondContact O-N 2.99Å; Y34-T37 PolarHBondContact O-N 3.15Å; Y34-T37 PolarHBondContact O-OG1 3.01Å; Y34-T37 VanDerWaalsContact O-OG1 3.1Å; Y34-H38 HydrophobicContact CD1-CB 4.02Å; Y34-H38 AromaticContact CD2-ND1 3.82Å; Y34-H38 HydrophobicContact CE1-CB 3.65Å; Y34-H38 AromaticContact CE1-CG 3.87Å; Y34-H38 AromaticContact CE2-CE1 3.93Å; Y34-H38 AromaticContact CE2-CG 3.95Å; Y34-H38 AromaticContact CE2-ND1 3.76Å; Y34-H38 AromaticContact CZ-CD2 3.96Å; Y34-H38 AromaticContact CZ-CG 3.69Å; Y34-H38 AromaticContact CZ-ND1 3.98Å; Y34-H38 WeakPolarHBondContact O-CB 3.44Å; Y34-H38 PolarHBondContact O-N 3.02Å; Y34-H38 PolarHBondContact O-ND1 3.09Å; Y34-H38 VanDerWaalsContact O-ND1 3.08Å; Y34-R46 HydrophobicContact CD1-CB 3.86Å; Y34-R46 HydrophobicContact CD1-CG 3.66Å; Y34-R46 HydrophobicContact CD2-CG 3.97Å; Y34-R46 HydrophobicContact CE1-CB 3.58Å; Y34-R46 HydrophobicContact CE1-CG 3.91Å; Y34-R46 HydrophobicContact CE2-CB 4.27Å; Y34-R46 HydrophobicContact CE2-CG 4.19Å; Y34-R46 HydrophobicContact CG-CB 4.32Å; Y34-R46 HydrophobicContact CG-CG 3.7Å; Y34-R46 VanDerWaalsContact CZ-CA 3.5Å; Y34-D49 HydrophobicContact CE2-CB 4.01Å; Y34-D49 PolarHBondContact OH-OD2 2.83Å
35F95.4Very high95.9Very high37 Ų3758.6 Ų58.616%0.16230%0.3CS..Hα-helixtrans-77-2.8179.9-63.1-67.8000115.4C33 T37 H38 A43 L256C33-F35 VanDerWaalsContact C-N 3.27Å; C33-F35 PolarHBondContact O-N 2.99Å; F35-T37 VanDerWaalsContact C-N 3.33Å; F35-H38 CarbonylContact C-O 3.53Å; F35-H38 WeakPolarHBondContact CA-O 3.27Å; F35-A43 HydrophobicContact CE1-CB 3.73Å; F35-A43 HydrophobicContact CZ-CB 3.84Å; F35-L256 HydrophobicContact CD2-CD2 4.2Å; F35-L256 HydrophobicContact CE1-CD2 4.46Å; F35-L256 HydrophobicContact CE2-CD2 3.96Å; F35-L256 HydrophobicContact CZ-CD2 4.11Å; F35-L256 WeakPolarHBondContact CZ-O 3.32Å
36E94Very high95.7Very high115 Ų11558.9 Ų58.954%0.53730%0.298SS..Hα-helixtrans-81.4-19.7168-60.7-162.1134.300111.8C33 Y34C33-E36 HydrophobicContact CB-CB 4.36Å; C33-E36 HydrophobicContact CB-CG 4.13Å; C33-E36 WeakPolarHBondContact O-CB 3.33Å; C33-E36 PolarHBondContact O-N 3.42Å; Y34-E36 VanDerWaalsContact C-N 3.27Å; Y34-E36 PolarHBondContact O-N 2.99Å
37T93.3Very high95.6Very high104 Ų10456.3 Ų56.364%0.63829%0.287SS*.Hα-helixtrans-117.9-19.9-176.350.90000113.6Y34 F35Y34-T37 PolarHBondContact O-N 3.15Å; Y34-T37 PolarHBondContact O-OG1 3.01Å; Y34-T37 VanDerWaalsContact O-OG1 3.1Å; F35-T37 VanDerWaalsContact C-N 3.33Å
38H95.8Very high95.5Very high43 Ų4358.5 Ų58.520%0.19931%0.31CS..SBendtrans-122.1146.4179.7-57.578.6000110.1F30 Y34 F35 E42F30-H38 AromaticContact CE2-CE1 3.83Å; Y34-H38 HydrophobicContact CD1-CB 4.02Å; Y34-H38 AromaticContact CD2-ND1 3.82Å; Y34-H38 HydrophobicContact CE1-CB 3.65Å; Y34-H38 AromaticContact CE1-CG 3.87Å; Y34-H38 AromaticContact CE2-CE1 3.93Å; Y34-H38 AromaticContact CE2-CG 3.95Å; Y34-H38 AromaticContact CE2-ND1 3.76Å; Y34-H38 AromaticContact CZ-CD2 3.96Å; Y34-H38 AromaticContact CZ-CG 3.69Å; Y34-H38 AromaticContact CZ-ND1 3.98Å; Y34-H38 WeakPolarHBondContact O-CB 3.44Å; Y34-H38 PolarHBondContact O-N 3.02Å; Y34-H38 PolarHBondContact O-ND1 3.09Å; Y34-H38 VanDerWaalsContact O-ND1 3.08Å; F35-H38 CarbonylContact C-O 3.53Å; F35-H38 WeakPolarHBondContact CA-O 3.27Å; H38-E42 WeakPolarHBondContact CA-OE2 3.46Å; H38-E42 HydrophobicContact CB-CB 4.24Å; H38-E42 WeakPolarHBondContact CB-OE2 3.32Å; H38-E42 IonicContact CD2-OE1 3.96Å; H38-E42 IonicContact CD2-OE2 2.76Å
39G95.1Very high95.5Very high21 Ų2159.4 Ų59.422%0.21632%0.316CS..  trans-71.2163.3175.900000112.7E41 E42G39-E41 WeakPolarHBondContact CA-OE1 3.41Å; G39-E41 PolarHBondContact O-N 2.94Å; G39-E42 PolarHBondContact N-OE2 3.08Å; G39-E42 WeakPolarHBondContact O-CB 3.28Å; G39-E42 PolarHBondContact O-N 3.31Å
40V94.8Very high95.5Very high47 Ų4754.9 Ų54.929%0.28529%0.292SS..G310 helixtrans-65.9-29178178.30000110.9E42 A43 A255V40-E42 PolarHBondContact O-N 3.25Å; V40-A43 WeakPolarHBondContact O-CB 3.47Å; V40-A43 PolarHBondContact O-N 3.31Å; V40-A255 HydrophobicContact CG1-CB 3.82Å; V40-A255 VanDerWaalsContact CG1-O 3.28Å; V40-A255 WeakPolarHBondContact CG1-O 3.16Å
41E94.9Very high95.5Very high165 Ų16557.9 Ų57.977%0.77130%0.304SS*.G310 helixtrans-60-19.8171.962.3-80.1-172.500113.7G39G39-E41 WeakPolarHBondContact CA-OE1 3.41Å; G39-E41 PolarHBondContact O-N 2.94Å
42E95.8Very high95.6Very high44 Ų4460.6 Ų60.621%0.20632%0.319CS..G310 helixtrans-93-1.9177.6-54-177.682.200112.7H38 G39 V40 G44 R45H38-E42 WeakPolarHBondContact CA-OE2 3.46Å; H38-E42 HydrophobicContact CB-CB 4.24Å; H38-E42 WeakPolarHBondContact CB-OE2 3.32Å; H38-E42 IonicContact CD2-OE1 3.96Å; H38-E42 IonicContact CD2-OE2 2.76Å; G39-E42 PolarHBondContact N-OE2 3.08Å; G39-E42 WeakPolarHBondContact O-CB 3.28Å; G39-E42 PolarHBondContact O-N 3.31Å; V40-E42 PolarHBondContact O-N 3.25Å; E42-G44 PolarHBondContact O-N 3.21Å; E42-G44 VanDerWaalsContact O-N 3.07Å; E42-R45 WeakPolarHBondContact O-CB 3.44Å; E42-R45 PolarHBondContact O-N 3.2Å; E42-R45 IonicContact OE1-CZ 3.76Å; E42-R45 IonicContact OE1-NH2 3.71Å; E42-R45 PolarHBondContact OE1-NH2 3.48Å
43A95.7Very high95.8Very high5 Ų560.3 Ų60.34%0.04132%0.315CS..G310 helixtrans-51.8-37.2-175.500000113.7F35 V40 R45 R46 A255 P258F35-A43 HydrophobicContact CE1-CB 3.73Å; F35-A43 HydrophobicContact CZ-CB 3.84Å; V40-A43 WeakPolarHBondContact O-CB 3.47Å; V40-A43 PolarHBondContact O-N 3.31Å; A43-R45 PolarHBondContact O-N 3.38Å; A43-R46 VanDerWaalsContact O-CB 3.22Å; A43-R46 WeakPolarHBondContact O-CB 3.47Å; A43-R46 PolarHBondContact O-N 3.49Å; A43-R46 VanDerWaalsContact O-N 3.16Å; A43-A255 WeakPolarHBondContact CB-O 3.45Å; A43-P258 HydrophobicContact CB-CG 3.85Å
44G94.8Very high95.9Very high36 Ų3659.9 Ų59.937%0.37131%0.311SS..G310 helixtrans-65.6-17.8178.500000114.7E42E42-G44 PolarHBondContact O-N 3.21Å; E42-G44 VanDerWaalsContact O-N 3.07Å
45R95.8Very high96Very high142 Ų14264.5 Ų64.554%0.53633%0.332SS..G310 helixtrans-92.9-16.3176.2-62.3-166.6-68.5176.9-4.6113.4E42 A43 D47 G48 D49E42-R45 WeakPolarHBondContact O-CB 3.44Å; E42-R45 PolarHBondContact O-N 3.2Å; E42-R45 IonicContact OE1-CZ 3.76Å; E42-R45 IonicContact OE1-NH2 3.71Å; E42-R45 PolarHBondContact OE1-NH2 3.48Å; A43-R45 PolarHBondContact O-N 3.38Å; R45-D47 VanDerWaalsContact C-N 3.34Å; R45-D47 PolarHBondContact O-N 3.36Å; R45-G48 WeakPolarHBondContact O-CA 3.44Å; R45-G48 PolarHBondContact O-N 2.96Å; R45-D49 PolarHBondContact O-N 2.91Å
46R95.5Very high96.1Very high58 Ų5867.2 Ų67.222%0.21935%0.345CS..Hα-helixtrans-47.8-52.7-173178.7-179.4172.3-85.75.4113.1R31 Y34 A43 G48 D49 V50R31-R46 VanDerWaalsContact CG-NH2 3.32Å; R31-R46 PolarHBondContact O-NH2 3.32Å; Y34-R46 HydrophobicContact CD1-CB 3.86Å; Y34-R46 HydrophobicContact CD1-CG 3.66Å; Y34-R46 HydrophobicContact CD2-CG 3.97Å; Y34-R46 HydrophobicContact CE1-CB 3.58Å; Y34-R46 HydrophobicContact CE1-CG 3.91Å; Y34-R46 HydrophobicContact CE2-CB 4.27Å; Y34-R46 HydrophobicContact CE2-CG 4.19Å; Y34-R46 HydrophobicContact CG-CB 4.32Å; Y34-R46 HydrophobicContact CG-CG 3.7Å; Y34-R46 VanDerWaalsContact CZ-CA 3.5Å; A43-R46 VanDerWaalsContact O-CB 3.22Å; A43-R46 WeakPolarHBondContact O-CB 3.47Å; A43-R46 PolarHBondContact O-N 3.49Å; A43-R46 VanDerWaalsContact O-N 3.16Å; R46-G48 VanDerWaalsContact C-N 3.29Å; R46-G48 PolarHBondContact O-N 2.85Å; R46-D49 PolarHBondContact O-N 2.69Å; R46-V50 HydrophobicContact CG-CG2 4.31Å; R46-V50 WeakPolarHBondContact O-CB 3.36Å; R46-V50 VanDerWaalsContact O-CG2 3.24Å; R46-V50 WeakPolarHBondContact O-CG2 3.43Å; R46-V50 PolarHBondContact O-N 3.2Å
47D94.4Very high96.3Very high53 Ų5362.1 Ų62.128%0.28332%0.322SS..Hα-helixtrans-67.5-33.4-175.1-62.9-21.3000112R45 K51R45-D47 VanDerWaalsContact C-N 3.34Å; R45-D47 PolarHBondContact O-N 3.36Å; D47-K51 WeakPolarHBondContact O-CB 3.49Å; D47-K51 PolarHBondContact O-N 2.95Å
48G96.1Very high96.6Very high46 Ų4658.4 Ų58.447%0.47430%0.298SS..Hα-helixtrans-65.7-47.2172.900000112.1R45 R46 K51 Q52R45-G48 WeakPolarHBondContact O-CA 3.44Å; R45-G48 PolarHBondContact O-N 2.96Å; R46-G48 VanDerWaalsContact C-N 3.29Å; R46-G48 PolarHBondContact O-N 2.85Å; G48-K51 PolarHBondContact O-N 3.33Å; G48-Q52 PolarHBondContact O-N 3.44Å
49D97.1Very high96.6Very high43 Ų4362.1 Ų62.123%0.2332%0.317CS..Hα-helixtrans-65-42.2179.1-63.1-18000111.5F30 Y34 R45 R46 K51 Q52 K53F30-D49 HydrophobicContact CE1-CB 4.15Å; F30-D49 HydrophobicContact CZ-CB 4.05Å; Y34-D49 HydrophobicContact CE2-CB 4.01Å; Y34-D49 PolarHBondContact OH-OD2 2.83Å; R45-D49 PolarHBondContact O-N 2.91Å; R46-D49 PolarHBondContact O-N 2.69Å; D49-K51 VanDerWaalsContact C-N 3.34Å; D49-Q52 PolarHBondContact O-N 3.39Å; D49-K53 PolarHBondContact O-N 3.24Å
50V97.6Very high96.7Very high4 Ų467.3 Ų67.32%0.02433%0.33CS..Hα-helixtrans-62.9-42.9175.8169.90000110.5F30 R31 R46 K53 M54 V84F30-V50 HydrophobicContact CD1-CG2 4.13Å; F30-V50 HydrophobicContact CE1-CG2 4.02Å; R31-V50 HydrophobicContact CB-CG1 4.19Å; R31-V50 HydrophobicContact CB-CG2 4Å; R31-V50 HydrophobicContact CG-CG1 4.14Å; R31-V50 HydrophobicContact CG-CG2 4.08Å; R46-V50 HydrophobicContact CG-CG2 4.31Å; R46-V50 WeakPolarHBondContact O-CB 3.36Å; R46-V50 VanDerWaalsContact O-CG2 3.24Å; R46-V50 WeakPolarHBondContact O-CG2 3.43Å; R46-V50 PolarHBondContact O-N 3.2Å; V50-K53 PolarHBondContact O-N 3.12Å; V50-M54 WeakPolarHBondContact O-CB 3.24Å; V50-M54 PolarHBondContact O-N 2.88Å; V50-V84 HydrophobicContact CG1-CG1 4.07Å; V50-V84 HydrophobicContact CG1-CG2 3.79Å
51K97.6Very high96.8Very high108 Ų10865.1 Ų65.147%0.4732%0.317SS..Hα-helixtrans-64.5-41.9176.4-176.2178.2178.6178.80112D47 G48 D49 M54 E55 T85D47-K51 WeakPolarHBondContact O-CB 3.49Å; D47-K51 PolarHBondContact O-N 2.95Å; G48-K51 PolarHBondContact O-N 3.33Å; D49-K51 VanDerWaalsContact C-N 3.34Å; K51-M54 HydrophobicContact CG-CE 4.18Å; K51-M54 VanDerWaalsContact O-CB 3.31Å; K51-M54 WeakPolarHBondContact O-CB 3.4Å; K51-M54 PolarHBondContact O-N 3.2Å; K51-E55 VanDerWaalsContact CE-OE1 3.22Å; K51-E55 WeakPolarHBondContact CE-OE1 3.3Å; K51-E55 WeakPolarHBondContact O-CG 3.26Å; K51-E55 PolarHBondContact O-N 2.6Å; K51-T85 HydrophobicContact CB-CG2 4.36Å
52Q98Very high96.8Very high109 Ų10961.7 Ų61.751%0.50930%0.301SS..Hα-helixtrans-61.4-48.5175.9-176.4-174.7-20.600111G48 D49 M54 E55 E56G48-Q52 PolarHBondContact O-N 3.44Å; D49-Q52 PolarHBondContact O-N 3.39Å; Q52-M54 PolarHBondContact O-N 3.07Å; Q52-E55 PolarHBondContact O-N 3.03Å; Q52-E55 VanDerWaalsContact O-N 3.15Å; Q52-E56 PolarHBondContact NE2-OE1 3.01Å; Q52-E56 WeakPolarHBondContact O-CG 3.46Å; Q52-E56 PolarHBondContact O-N 3.1Å
53K98.1Very high96.8Very high58 Ų5866.4 Ų66.425%0.25232%0.323SS..Hα-helixtrans-62.7-34.5177.8-166.5178.9180119.60111.9L27 F30 D49 V50 T57L27-K53 HydrophobicContact CD1-CB 3.91Å; L27-K53 HydrophobicContact CD1-CD 4.09Å; L27-K53 HydrophobicContact CD1-CG 3.86Å; F30-K53 HydrophobicContact CB-CD 3.63Å; F30-K53 HydrophobicContact CD1-CB 4.33Å; F30-K53 HydrophobicContact CD1-CD 3.42Å; F30-K53 VanDerWaalsContact CD1-CD 3.42Å; F30-K53 HydrophobicContact CD2-CD 4.06Å; F30-K53 HydrophobicContact CE1-CB 4.38Å; F30-K53 HydrophobicContact CE1-CD 4.05Å; F30-K53 HydrophobicContact CG-CD 3.41Å; F30-K53 VanDerWaalsContact CG-CD 3.41Å; D49-K53 PolarHBondContact O-N 3.24Å; V50-K53 PolarHBondContact O-N 3.12Å; K53-T57 WeakPolarHBondContact O-CB 3.46Å; K53-T57 PolarHBondContact O-N 3.35Å; K53-T57 PolarHBondContact O-OG1 3.12Å; K53-T57 VanDerWaalsContact O-OG1 3.06Å
54M98.4Very high96.6Very high20 Ų2068.8 Ų68.810%0.09933%0.332CS..Hα-helixtrans-60.5-48.6172.8-177.8-163.268.600111.5L27 V50 K51 Q52 T57 L58 C81 V84 T85L27-M54 HydrophobicContact CD1-CB 4.32Å; L27-M54 HydrophobicContact CD2-CB 4.3Å; L27-M54 HydrophobicContact CD2-CG 4.4Å; V50-M54 WeakPolarHBondContact O-CB 3.24Å; V50-M54 PolarHBondContact O-N 2.88Å; K51-M54 HydrophobicContact CG-CE 4.18Å; K51-M54 VanDerWaalsContact O-CB 3.31Å; K51-M54 WeakPolarHBondContact O-CB 3.4Å; K51-M54 PolarHBondContact O-N 3.2Å; Q52-M54 PolarHBondContact O-N 3.07Å; M54-T57 PolarHBondContact O-N 3.22Å; M54-L58 VanDerWaalsContact O-CB 3.3Å; M54-L58 WeakPolarHBondContact O-CB 3.35Å; M54-L58 PolarHBondContact O-N 2.93Å; M54-C81 VanDerWaalsContact CG-O 3.26Å; M54-C81 WeakPolarHBondContact CG-O 3.31Å; M54-V84 HydrophobicContact CB-CG1 3.64Å; M54-V84 HydrophobicContact CG-CG1 3.54Å; M54-V84 HydrophobicContact SD-CG1 3.68Å; M54-T85 HydrophobicContact SD-CG2 3.97Å
55E98.2Very high96.6Very high96 Ų9669.6 Ų69.645%0.44933%0.326SS..Hα-helixtrans-62.6-42.8179.9-71169.8-176.800111.3K51 Q52 L58 M59K51-E55 VanDerWaalsContact CE-OE1 3.22Å; K51-E55 WeakPolarHBondContact CE-OE1 3.3Å; K51-E55 WeakPolarHBondContact O-CG 3.26Å; K51-E55 PolarHBondContact O-N 2.6Å; Q52-E55 PolarHBondContact O-N 3.03Å; Q52-E55 VanDerWaalsContact O-N 3.15Å; E55-L58 PolarHBondContact O-N 2.96Å; E55-M59 WeakPolarHBondContact O-CG 3.47Å; E55-M59 PolarHBondContact O-N 3.16Å
56E98.1Very high96.4Very high94 Ų9469.3 Ų69.344%0.43934%0.335SS..Hα-helixtrans-61.7-43.3175-69.8174.4-167.400112.6Q52Q52-E56 PolarHBondContact NE2-OE1 3.01Å; Q52-E56 WeakPolarHBondContact O-CG 3.46Å; Q52-E56 PolarHBondContact O-N 3.1Å
57T98.2Very high96.2Very high8 Ų873.2 Ų73.25%0.04936%0.359CS..Hα-helixtrans-66.5-43.4176-650000111L23 V24 L27 K53 M54 M59 R60 L61L23-T57 HydrophobicContact CB-CG2 4.23Å; V24-T57 HydrophobicContact CG2-CG2 4.15Å; L27-T57 HydrophobicContact CD2-CG2 4.31Å; K53-T57 WeakPolarHBondContact O-CB 3.46Å; K53-T57 PolarHBondContact O-N 3.35Å; K53-T57 PolarHBondContact O-OG1 3.12Å; K53-T57 VanDerWaalsContact O-OG1 3.06Å; M54-T57 PolarHBondContact O-N 3.22Å; T57-M59 VanDerWaalsContact C-N 3.34Å; T57-M59 PolarHBondContact O-N 3.01Å; T57-R60 WeakPolarHBondContact O-CB 3.13Å; T57-R60 PolarHBondContact O-N 2.87Å; T57-R60 VanDerWaalsContact O-N 3.13Å; T57-L61 HydrophobicContact CG2-CD1 3.94Å; T57-L61 VanDerWaalsContact O-CD1 3.26Å; T57-L61 WeakPolarHBondContact O-CD1 3.42Å; T57-L61 PolarHBondContact O-N 3.28Å; T57-L61 VanDerWaalsContact O-N 3.17Å
58L97.9Very high96.2Very high26 Ų2671.9 Ų71.914%0.13635%0.352CS..Hα-helixtrans-59.9-43.2179.8-177.863.7000111.7M54 E55 R60 L61 E62 K78 L82M54-L58 VanDerWaalsContact O-CB 3.3Å; M54-L58 WeakPolarHBondContact O-CB 3.35Å; M54-L58 PolarHBondContact O-N 2.93Å; E55-L58 PolarHBondContact O-N 2.96Å; L58-R60 VanDerWaalsContact C-N 3.26Å; L58-R60 PolarHBondContact O-N 3.36Å; L58-L61 WeakPolarHBondContact O-CB 3.46Å; L58-L61 PolarHBondContact O-N 3.39Å; L58-E62 HydrophobicContact CD1-CG 4.49Å; L58-E62 HydrophobicContact CG-CG 4.43Å; L58-E62 WeakPolarHBondContact O-CG 3.35Å; L58-E62 PolarHBondContact O-N 3.33Å; L58-K78 HydrophobicContact CD1-CG 4.28Å; L58-L82 HydrophobicContact CD1-CD2 4.04Å; L58-L82 HydrophobicContact CD1-CG 4.23Å; L58-L82 HydrophobicContact CD2-CD2 3.7Å
59M97.4Very high95.9Very high121 Ų12173.3 Ų73.360%0.59635%0.345SS*.Hα-helixtrans-54.6-42.6175.6-76.5179.957.100112.2E55 T57 L61 E62 E63E55-M59 WeakPolarHBondContact O-CG 3.47Å; E55-M59 PolarHBondContact O-N 3.16Å; T57-M59 VanDerWaalsContact C-N 3.34Å; T57-M59 PolarHBondContact O-N 3.01Å; M59-L61 VanDerWaalsContact C-N 3.33Å; M59-L61 PolarHBondContact O-N 2.88Å; M59-E62 PolarHBondContact O-N 2.83Å; M59-E63 PolarHBondContact O-N 3.3Å
60R96.5Very high95.7Very high131 Ų13178 Ų7849%0.49437%0.365SS..Hα-helixtrans-67.5-33.6177.9-64.8-179.8-178.5176.73.6112.7L23 T57 L58L23-R60 HydrophobicContact CD1-CB 4.15Å; T57-R60 WeakPolarHBondContact O-CB 3.13Å; T57-R60 PolarHBondContact O-N 2.87Å; T57-R60 VanDerWaalsContact O-N 3.13Å; L58-R60 VanDerWaalsContact C-N 3.26Å; L58-R60 PolarHBondContact O-N 3.36Å
61L95.9Very high95.7Very high0 Ų080.5 Ų80.50%038%0.379CS..Hα-helixtrans-70-38.5175.5-89.665.2000111.2I20 V24 T57 L58 M59 E63 K64 E65 F74 K78 C81I20-L61 HydrophobicContact CG2-CD1 3.99Å; I20-L61 HydrophobicContact CG2-CD2 4.11Å; I20-L61 HydrophobicContact CG2-CG 3.8Å; V24-L61 HydrophobicContact CG2-CD1 4.36Å; V24-L61 HydrophobicContact CG2-CD2 4.13Å; T57-L61 HydrophobicContact CG2-CD1 3.94Å; T57-L61 VanDerWaalsContact O-CD1 3.26Å; T57-L61 WeakPolarHBondContact O-CD1 3.42Å; T57-L61 PolarHBondContact O-N 3.28Å; T57-L61 VanDerWaalsContact O-N 3.17Å; L58-L61 WeakPolarHBondContact O-CB 3.46Å; L58-L61 PolarHBondContact O-N 3.39Å; M59-L61 VanDerWaalsContact C-N 3.33Å; M59-L61 PolarHBondContact O-N 2.88Å; L61-E63 VanDerWaalsContact C-N 3.31Å; L61-E63 PolarHBondContact O-N 3.27Å; L61-K64 PolarHBondContact O-N 3.33Å; L61-K64 VanDerWaalsContact O-N 3.1Å; L61-E65 PolarHBondContact O-N 2.66Å; L61-F74 HydrophobicContact CB-CE2 4.43Å; L61-F74 WeakPolarHBondContact O-CZ 3.21Å; L61-K78 HydrophobicContact CD2-CB 4.13Å; L61-C81 HydrophobicContact CD2-CB 4.27Å
62E95.3Very high95.6Very high93 Ų9376.1 Ų76.144%0.43536%0.362SS..Hα-helixtrans-63.5-33.2179.1-72.4177.416700112.5L58 M59 K64 E65L58-E62 HydrophobicContact CD1-CG 4.49Å; L58-E62 HydrophobicContact CG-CG 4.43Å; L58-E62 WeakPolarHBondContact O-CG 3.35Å; L58-E62 PolarHBondContact O-N 3.33Å; M59-E62 PolarHBondContact O-N 2.83Å; E62-K64 PolarHBondContact O-N 2.82Å; E62-K64 VanDerWaalsContact O-N 3.09Å; E62-E65 WeakPolarHBondContact O-CB 3.39Å; E62-E65 PolarHBondContact O-N 2.75Å; E62-E65 VanDerWaalsContact O-N 3.1Å
63E95.2Very high95.6Very high144 Ų14473.2 Ų73.267%0.67335%0.349SS*.THydrogen-bonded Turntrans-57.6-24.5173.1-68.8176.9-177.200113.5M59 L61M59-E63 PolarHBondContact O-N 3.3Å; L61-E63 VanDerWaalsContact C-N 3.31Å; L61-E63 PolarHBondContact O-N 3.27Å
64K93.5Very high95.5Very high55 Ų5570.4 Ų70.424%0.23934%0.337CS..THydrogen-bonded Turntrans-105.8-2.6-177.7-53.8-64.6178.8167.90112.8E16 I20 L61 E62 D66 I67 L68 F74E16-K64 VanDerWaalsContact CD-NZ 3.25Å; E16-K64 IonicContact OE1-NZ 2.75Å; E16-K64 PolarHBondContact OE1-NZ 2.88Å; E16-K64 WeakPolarHBondContact OE2-CE 3.43Å; E16-K64 IonicContact OE2-NZ 3.11Å; E16-K64 PolarHBondContact OE2-NZ 2.99Å; E16-K64 VanDerWaalsContact OE2-NZ 3.11Å; I20-K64 HydrophobicContact CD1-CB 4.09Å; I20-K64 HydrophobicContact CD1-CG 4.21Å; L61-K64 PolarHBondContact O-N 3.33Å; L61-K64 VanDerWaalsContact O-N 3.1Å; E62-K64 PolarHBondContact O-N 2.82Å; E62-K64 VanDerWaalsContact O-N 3.09Å; K64-D66 PolarHBondContact O-N 2.91Å; K64-I67 PolarHBondContact O-N 3.36Å; K64-L68 HydrophobicContact CB-CD1 4Å; K64-L68 PolarHBondContact O-N 3.22Å; K64-F74 HydrophobicContact CB-CE2 4.39Å
65E93.2Very high95.5Very high53 Ų5369.5 Ų69.525%0.24833%0.332CS..Hα-helixtrans-63.3-42.3-171.5-179.3159.1-158.400112.7L61 E62 I67 L68 K69 F74 K78L61-E65 PolarHBondContact O-N 2.66Å; E62-E65 WeakPolarHBondContact O-CB 3.39Å; E62-E65 PolarHBondContact O-N 2.75Å; E62-E65 VanDerWaalsContact O-N 3.1Å; E65-I67 PolarHBondContact O-N 3.46Å; E65-I67 VanDerWaalsContact O-N 3.09Å; E65-L68 PolarHBondContact O-N 2.85Å; E65-K69 HydrophobicContact CG-CB 4.18Å; E65-K69 WeakPolarHBondContact O-CA 3.22Å; E65-K69 WeakPolarHBondContact O-CB 3.46Å; E65-K69 WeakPolarHBondContact O-CG 3.39Å; E65-K69 PolarHBondContact O-N 3.14Å; E65-F74 HydrophobicContact CB-CE1 4.28Å; E65-F74 HydrophobicContact CB-CZ 4.01Å; E65-F74 HydrophobicContact CG-CE1 4.23Å; E65-F74 HydrophobicContact CG-CZ 4.44Å; E65-K78 IonicContact OE1-NZ 3.14Å; E65-K78 PolarHBondContact OE1-NZ 3.46Å; E65-K78 IonicContact OE2-NZ 3.93Å; E65-K78 PolarHBondContact OE2-NZ 2.77Å
66D91.9Very high95.5Very high136 Ų13665 Ų6573%0.72731%0.311SS*.Hα-helixtrans-57.7-31.4-179.6-81.5-32.5000113.3K64K64-D66 PolarHBondContact O-N 2.91Å
67I92.2Very high95.5Very high139 Ų13960.6 Ų60.671%0.71329%0.29SS*.Hα-helixtrans-88.8-39.3-178-53.1171.6000110.6K64 E65K64-I67 PolarHBondContact O-N 3.36Å; E65-I67 PolarHBondContact O-N 3.46Å; E65-I67 VanDerWaalsContact O-N 3.09Å
68L93.4Very high95.5Very high26 Ų2661.1 Ų61.114%0.13629%0.292CS..Hα-helixtrans-108.3-1.2-167.6-60.3179000114.9L17 I20 K64 E65 H70 N71 F74L17-L68 HydrophobicContact CD2-CD1 4.03Å; I20-L68 HydrophobicContact CD1-CD1 3.67Å; K64-L68 HydrophobicContact CB-CD1 4Å; K64-L68 PolarHBondContact O-N 3.22Å; E65-L68 PolarHBondContact O-N 2.85Å; L68-H70 PolarHBondContact O-N 3.14Å; L68-N71 VanDerWaalsContact O-CB 3.28Å; L68-N71 WeakPolarHBondContact O-CB 3.22Å; L68-N71 PolarHBondContact O-N 2.83Å; L68-F74 HydrophobicContact CB-CB 3.85Å; L68-F74 HydrophobicContact CB-CD1 3.93Å; L68-F74 HydrophobicContact CB-CD2 3.68Å; L68-F74 HydrophobicContact CB-CE1 4.43Å; L68-F74 HydrophobicContact CB-CE2 4.2Å; L68-F74 HydrophobicContact CB-CG 3.52Å; L68-F74 HydrophobicContact CD1-CD2 3.84Å; L68-F74 HydrophobicContact CD1-CE2 4.39Å; L68-F74 HydrophobicContact CD1-CG 4.42Å; L68-F74 HydrophobicContact CG-CD2 4.43Å; L68-F74 WeakPolarHBondContact O-CD1 3.33Å
69K91Very high95.5Very high76 Ų7659.9 Ų59.933%0.3329%0.286SS..THydrogen-bonded Turntrans-55.2-18-175.861.5-173.2177.2-164.80116.5E65 R98E65-K69 HydrophobicContact CG-CB 4.18Å; E65-K69 WeakPolarHBondContact O-CA 3.22Å; E65-K69 WeakPolarHBondContact O-CB 3.46Å; E65-K69 WeakPolarHBondContact O-CG 3.39Å; E65-K69 PolarHBondContact O-N 3.14Å; K69-R98 PolarHBondContact O-NH2 3.01Å
70H92.9Very high95.5Very high140 Ų14055 Ų5565%0.64826%0.261SS*.THydrogen-bonded Turntrans-104.15.8177.2-61.4-60000113.4L68L68-H70 PolarHBondContact O-N 3.14Å
71N96.1Very high95.6Very high58 Ų5848.8 Ų48.831%0.3124%0.237SC..  trans-90.9127.7176.2-175.9-68.4000110.2L68 E73 F74 L75L68-N71 VanDerWaalsContact O-CB 3.28Å; L68-N71 WeakPolarHBondContact O-CB 3.22Å; L68-N71 PolarHBondContact O-N 2.83Å; N71-E73 PolarHBondContact O-N 2.8Å; N71-E73 WeakPolarHBondContact OD1-CA 3.47Å; N71-E73 VanDerWaalsContact OD1-CB 3.3Å; N71-E73 WeakPolarHBondContact OD1-CB 3.28Å; N71-E73 PolarHBondContact OD1-N 3.06Å; N71-F74 HydrophobicContact CB-CB 4.01Å; N71-F74 PolarHBondContact O-N 3.17Å; N71-F74 PolarHBondContact OD1-N 3.21Å; N71-F74 VanDerWaalsContact OD1-N 3.09Å; N71-L75 WeakPolarHBondContact O-CG 3.3Å; N71-L75 PolarHBondContact O-N 3.18Å; N71-L75 VanDerWaalsContact O-N 3.09Å
72A96.8Very high95.7Very high15 Ų1549.6 Ų49.612%0.12424%0.241CC..Hα-helixtrans-64.3-39.2-176.600000112.7L75 L76 L102 D103 L106A72-L75 PolarHBondContact O-N 3.41Å; A72-L76 WeakPolarHBondContact O-CB 3.15Å; A72-L76 PolarHBondContact O-N 3.06Å; A72-L102 HydrophobicContact CB-CB 3.85Å; A72-L102 HydrophobicContact CB-CD1 4.49Å; A72-D103 HydrophobicContact CB-CB 3.9Å; A72-L106 HydrophobicContact CB-CD1 3.64Å
73E96.4Very high95.8Very high48 Ų4845.6 Ų45.622%0.22422%0.223CC..Hα-helixtrans-66.7-42.6177.3-174.261.4-154.700111.1N71 L75 L76 Q77N71-E73 PolarHBondContact O-N 2.8Å; N71-E73 WeakPolarHBondContact OD1-CA 3.47Å; N71-E73 VanDerWaalsContact OD1-CB 3.3Å; N71-E73 WeakPolarHBondContact OD1-CB 3.28Å; N71-E73 PolarHBondContact OD1-N 3.06Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 2.97Å; E73-L76 WeakPolarHBondContact O-CB 3.41Å; E73-L76 PolarHBondContact O-N 3.38Å; E73-Q77 WeakPolarHBondContact O-CG 3.4Å; E73-Q77 PolarHBondContact O-N 2.8Å; E73-Q77 PolarHBondContact OE1-NE2 2.9Å
74F97.6Very high95.8Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-59.4-45.5174.6175.4-100.4000111.9L17 I20 L61 K64 E65 L68 N71 L76 Q77 K78L17-F74 HydrophobicContact CD2-CB 3.92Å; I20-F74 HydrophobicContact CD1-CD2 3.69Å; I20-F74 HydrophobicContact CD1-CE2 3.84Å; L61-F74 HydrophobicContact CB-CE2 4.43Å; L61-F74 WeakPolarHBondContact O-CZ 3.21Å; K64-F74 HydrophobicContact CB-CE2 4.39Å; E65-F74 HydrophobicContact CB-CE1 4.28Å; E65-F74 HydrophobicContact CB-CZ 4.01Å; E65-F74 HydrophobicContact CG-CE1 4.23Å; E65-F74 HydrophobicContact CG-CZ 4.44Å; L68-F74 HydrophobicContact CB-CB 3.85Å; L68-F74 HydrophobicContact CB-CD1 3.93Å; L68-F74 HydrophobicContact CB-CD2 3.68Å; L68-F74 HydrophobicContact CB-CE1 4.43Å; L68-F74 HydrophobicContact CB-CE2 4.2Å; L68-F74 HydrophobicContact CB-CG 3.52Å; L68-F74 HydrophobicContact CD1-CD2 3.84Å; L68-F74 HydrophobicContact CD1-CE2 4.39Å; L68-F74 HydrophobicContact CD1-CG 4.42Å; L68-F74 HydrophobicContact CG-CD2 4.43Å; L68-F74 WeakPolarHBondContact O-CD1 3.33Å; N71-F74 HydrophobicContact CB-CB 4.01Å; N71-F74 PolarHBondContact O-N 3.17Å; N71-F74 PolarHBondContact OD1-N 3.21Å; N71-F74 VanDerWaalsContact OD1-N 3.09Å; F74-L76 VanDerWaalsContact C-N 3.32Å; F74-L76 PolarHBondContact O-N 3.41Å; F74-Q77 PolarHBondContact O-N 3.43Å; F74-K78 HydrophobicContact CE1-CD 4.41Å; F74-K78 PolarHBondContact O-N 3.23Å
75L98.2Very high95.8Very high1 Ų137.5 Ų37.51%0.00519%0.188CC..Hα-helixtrans-63.3-37.9177.4-70.9166.7000112N71 A72 E73 G79 C95 R98 A99 L102N71-L75 WeakPolarHBondContact O-CG 3.3Å; N71-L75 PolarHBondContact O-N 3.18Å; N71-L75 VanDerWaalsContact O-N 3.09Å; A72-L75 PolarHBondContact O-N 3.41Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 2.97Å; L75-G79 PolarHBondContact O-N 3.43Å; L75-C95 HydrophobicContact CD2-CB 4.29Å; L75-R98 HydrophobicContact CD1-CB 3.9Å; L75-A99 HydrophobicContact CB-CB 3.93Å; L75-L102 HydrophobicContact CD1-CD1 3.61Å
76L98.1Very high95.7Very high2 Ų239 Ų391%0.0120%0.203CC..Hα-helixtrans-58.9-52.2170.7165.661000110.8A72 E73 F74 K78 G79 R80 L96 E108 A109 I112A72-L76 WeakPolarHBondContact O-CB 3.15Å; A72-L76 PolarHBondContact O-N 3.06Å; E73-L76 WeakPolarHBondContact O-CB 3.41Å; E73-L76 PolarHBondContact O-N 3.38Å; F74-L76 VanDerWaalsContact C-N 3.32Å; F74-L76 PolarHBondContact O-N 3.41Å; L76-K78 PolarHBondContact O-N 2.91Å; L76-G79 CarbonylContact O-C 3.57Å; L76-G79 PolarHBondContact O-N 3.35Å; L76-G79 VanDerWaalsContact O-N 3.16Å; L76-R80 HydrophobicContact CD1-CG 3.99Å; L76-R80 WeakPolarHBondContact O-CG 3.5Å; L76-R80 PolarHBondContact O-N 3.16Å; L76-L96 HydrophobicContact CD1-CD2 4.23Å; L76-E108 HydrophobicContact CD1-CB 4.29Å; L76-E108 HydrophobicContact CD1-CG 4.16Å; L76-E108 HydrophobicContact CD2-CB 4.22Å; L76-A109 HydrophobicContact CD1-CB 3.96Å; L76-I112 HydrophobicContact CD1-CD1 3.5Å; L76-I112 VanDerWaalsContact CD1-CD1 3.5Å
77Q98.2Very high95.8Very high0 Ų038.4 Ų38.40%020%0.199CC..Hα-helixtrans-63.8-38.9-178.3-63.3-50.7-3600112.6I20 K21 V24 E73 F74 R80 C81I20-Q77 HydrophobicContact CG2-CB 3.65Å; I20-Q77 HydrophobicContact CG2-CG 4.09Å; K21-Q77 HydrophobicContact CB-CG 4.36Å; V24-Q77 HydrophobicContact CG2-CB 4.22Å; E73-Q77 WeakPolarHBondContact O-CG 3.4Å; E73-Q77 PolarHBondContact O-N 2.8Å; E73-Q77 PolarHBondContact OE1-NE2 2.9Å; F74-Q77 PolarHBondContact O-N 3.43Å; Q77-R80 WeakPolarHBondContact O-CB 3.45Å; Q77-R80 PolarHBondContact O-N 3.46Å; Q77-C81 WeakPolarHBondContact O-CB 3.31Å; Q77-C81 PolarHBondContact O-N 3.09Å
78K98.1Very high96Very high19 Ų1935.5 Ų35.58%0.08318%0.181CC..Hα-helixtrans-63.5-43.4172.4-172.7169.8178172.60111.7L58 L61 E65 F74 L76 C81 L82L58-K78 HydrophobicContact CD1-CG 4.28Å; L61-K78 HydrophobicContact CD2-CB 4.13Å; E65-K78 IonicContact OE1-NZ 3.14Å; E65-K78 PolarHBondContact OE1-NZ 3.46Å; E65-K78 IonicContact OE2-NZ 3.93Å; E65-K78 PolarHBondContact OE2-NZ 2.77Å; F74-K78 HydrophobicContact CE1-CD 4.41Å; F74-K78 PolarHBondContact O-N 3.23Å; L76-K78 PolarHBondContact O-N 2.91Å; K78-C81 PolarHBondContact O-N 3.09Å; K78-L82 HydrophobicContact CG-CD1 4.1Å; K78-L82 WeakPolarHBondContact O-CG 3.38Å; K78-L82 PolarHBondContact O-N 2.94Å; K78-L82 VanDerWaalsContact O-N 3.08Å
79G97.9Very high96.2Very high0 Ų035.4 Ų35.40%018%0.183CC..Hα-helixtrans-61-41.917400000113.2L75 L76 L82 N83L75-G79 PolarHBondContact O-N 3.43Å; L76-G79 CarbonylContact O-C 3.57Å; L76-G79 PolarHBondContact O-N 3.35Å; L76-G79 VanDerWaalsContact O-N 3.16Å; G79-L82 PolarHBondContact O-N 3.48Å; G79-N83 VanDerWaalsContact O-CB 3.27Å; G79-N83 WeakPolarHBondContact O-CB 3.49Å; G79-N83 PolarHBondContact O-N 2.84Å
80R98Very high96.5Very high19 Ų1934.8 Ų34.87%0.07219%0.192CC..Hα-helixtrans-59.2-51.2174.1-78.5-179.465-175.4-16.1112.1V24 D25 H28 L76 Q77 L82 N83 V84 E108 I112V24-R80 HydrophobicContact CG1-CB 3.56Å; D25-R80 IonicContact OD1-CZ 2.68Å; D25-R80 IonicContact OD1-NH1 3.58Å; D25-R80 PolarHBondContact OD1-NH1 3.06Å; D25-R80 IonicContact OD1-NH2 3.64Å; D25-R80 PolarHBondContact OD1-NH2 2.99Å; H28-R80 PolarHBondContact NE2-O 3.23Å; L76-R80 HydrophobicContact CD1-CG 3.99Å; L76-R80 WeakPolarHBondContact O-CG 3.5Å; L76-R80 PolarHBondContact O-N 3.16Å; Q77-R80 WeakPolarHBondContact O-CB 3.45Å; Q77-R80 PolarHBondContact O-N 3.46Å; R80-L82 VanDerWaalsContact C-N 3.32Å; R80-L82 PolarHBondContact O-N 2.93Å; R80-N83 PolarHBondContact O-N 2.92Å; R80-V84 PolarHBondContact O-N 3.43Å; R80-E108 VanDerWaalsContact CD-OE1 3.22Å; R80-E108 WeakPolarHBondContact CD-OE1 3.47Å; R80-E108 IonicContact CZ-OE1 2.6Å; R80-E108 IonicContact NE-OE1 3.46Å; R80-E108 PolarHBondContact NE-OE1 3.38Å; R80-E108 VanDerWaalsContact NE-OE1 3.14Å; R80-E108 IonicContact NH1-OE1 2.63Å; R80-E108 PolarHBondContact NH1-OE1 3.39Å; R80-E108 IonicContact NH1-OE2 2.69Å; R80-I112 HydrophobicContact CB-CD1 4.44Å; R80-I112 HydrophobicContact CG-CD1 3.19Å; R80-I112 HydrophobicContact CG-CG1 4.4Å
81C98.3Very high96.7Very high0 Ų030.4 Ų30.40%018%0.18CC..Hα-helixtrans-53.2-51.4177.1-173.80000110.7V24 L27 M54 L61 Q77 K78 N83 V84V24-C81 HydrophobicContact CG2-CB 4.24Å; L27-C81 HydrophobicContact CD2-CB 4.38Å; M54-C81 VanDerWaalsContact CG-O 3.26Å; M54-C81 WeakPolarHBondContact CG-O 3.31Å; L61-C81 HydrophobicContact CD2-CB 4.27Å; Q77-C81 WeakPolarHBondContact O-CB 3.31Å; Q77-C81 PolarHBondContact O-N 3.09Å; K78-C81 PolarHBondContact O-N 3.09Å; C81-N83 PolarHBondContact O-N 3.37Å; C81-V84 VanDerWaalsContact O-CG1 3.3Å; C81-V84 WeakPolarHBondContact O-CG1 3.38Å; C81-V84 PolarHBondContact O-N 3.34Å
82L97.6Very high96.8Very high17 Ų1727.6 Ų27.69%0.08917%0.165CC..Hα-helixtrans-70.1-14.8-179.3-67.5167.9000114.4L58 K78 G79 R80 A91 A92L58-L82 HydrophobicContact CD1-CD2 4.04Å; L58-L82 HydrophobicContact CD1-CG 4.23Å; L58-L82 HydrophobicContact CD2-CD2 3.7Å; K78-L82 HydrophobicContact CG-CD1 4.1Å; K78-L82 WeakPolarHBondContact O-CG 3.38Å; K78-L82 PolarHBondContact O-N 2.94Å; K78-L82 VanDerWaalsContact O-N 3.08Å; G79-L82 PolarHBondContact O-N 3.48Å; R80-L82 VanDerWaalsContact C-N 3.32Å; R80-L82 PolarHBondContact O-N 2.93Å; L82-A91 HydrophobicContact CD1-CB 3.84Å; L82-A92 HydrophobicContact CB-CB 3.71Å; L82-A92 HydrophobicContact CD1-CB 4.48Å
83N96.7Very high96.8Very high10 Ų1028.4 Ų28.45%0.05317%0.166CC..THydrogen-bonded Turntrans-93.5-2.4179.3-172.359.6000113.3G79 R80 C81 T85 I112 D115 Q116 K119G79-N83 VanDerWaalsContact O-CB 3.27Å; G79-N83 WeakPolarHBondContact O-CB 3.49Å; G79-N83 PolarHBondContact O-N 2.84Å; R80-N83 PolarHBondContact O-N 2.92Å; C81-N83 PolarHBondContact O-N 3.37Å; N83-T85 VanDerWaalsContact C-N 3.25Å; N83-T85 PolarHBondContact O-N 3.43Å; N83-I112 HydrophobicContact CB-CG2 3.67Å; N83-D115 PolarHBondContact ND2-OD2 3.29Å; N83-D115 PolarHBondContact OD1-OD2 2.92Å; N83-D115 VanDerWaalsContact OD1-OD2 3.09Å; N83-Q116 PolarHBondContact OD1-NE2 3.05Å; N83-K119 PolarHBondContact O-NZ 3.38Å; N83-K119 PolarHBondContact OD1-NZ 3.28Å
84V96.2Very high96.9Very high6 Ų631.7 Ų31.74%0.03618%0.182CC..SBendtrans-64.8-30.4-172.8740000112.9L27 R31 V50 M54 R80 C81L27-V84 HydrophobicContact CD1-CG1 4.39Å; L27-V84 HydrophobicContact CD1-CG2 4.2Å; L27-V84 HydrophobicContact CD2-CB 4.28Å; L27-V84 HydrophobicContact CD2-CG1 4.16Å; L27-V84 HydrophobicContact CD2-CG2 4.44Å; L27-V84 HydrophobicContact CG-CB 4.4Å; L27-V84 HydrophobicContact CG-CG1 4.46Å; L27-V84 HydrophobicContact CG-CG2 4.02Å; R31-V84 HydrophobicContact CB-CG2 4.06Å; R31-V84 VanDerWaalsContact CD-O 3.31Å; R31-V84 WeakPolarHBondContact CD-O 3.46Å; R31-V84 HydrophobicContact CG-CG2 4.28Å; R31-V84 PolarHBondContact NH1-O 2.94Å; V50-V84 HydrophobicContact CG1-CG1 4.07Å; V50-V84 HydrophobicContact CG1-CG2 3.79Å; M54-V84 HydrophobicContact CB-CG1 3.64Å; M54-V84 HydrophobicContact CG-CG1 3.54Å; M54-V84 HydrophobicContact SD-CG1 3.68Å; R80-V84 PolarHBondContact O-N 3.43Å; C81-V84 VanDerWaalsContact O-CG1 3.3Å; C81-V84 WeakPolarHBondContact O-CG1 3.38Å; C81-V84 PolarHBondContact O-N 3.34Å
85T93.1Very high96.9Very high22 Ų2232.1 Ų32.114%0.13519%0.185CC..SBendtrans-84.3156.8177.256.20000112.1K51 M54 N83 D87 K119K51-T85 HydrophobicContact CB-CG2 4.36Å; M54-T85 HydrophobicContact SD-CG2 3.97Å; N83-T85 VanDerWaalsContact C-N 3.25Å; N83-T85 PolarHBondContact O-N 3.43Å; T85-D87 VanDerWaalsContact C-N 3.26Å; T85-D87 PolarHBondContact O-N 3.08Å; T85-K119 PolarHBondContact O-NZ 3.17Å
86P90.9Very high96.9Very high86 Ų8632.1 Ų32.156%0.55818%0.184SC*.SBendtrans-63.7-27.6179-22.934.7000114.3K119P86-K119 WeakPolarHBondContact O-CD 3.4Å; P86-K119 WeakPolarHBondContact O-CE 3.49Å; P86-K119 WeakPolarHBondContact O-CG 3.31Å
87D93.2Very high96.9Very high122 Ų12233 Ų3365%0.65219%0.191SC*.SBendtrans-70.8149.6-175-61.4-47000113.7T85T85-D87 VanDerWaalsContact C-N 3.26Å; T85-D87 PolarHBondContact O-N 3.08Å
88F96.4Very high96.9Very high78 Ų7836.5 Ų36.534%0.34220%0.204SC..  trans-64.3137.6170.7167.3-105.2000111.5A90 E93 Q116 K119 K120F88-A90 HydrophobicContact CE1-CB 4Å; F88-A90 HydrophobicContact CZ-CB 4.06Å; F88-E93 HydrophobicContact CE2-CB 4.13Å; F88-E93 VanDerWaalsContact CE2-OE2 3.24Å; F88-E93 WeakPolarHBondContact CE2-OE2 3.28Å; F88-E93 HydrophobicContact CZ-CB 4.43Å; F88-E93 WeakPolarHBondContact CZ-OE2 3.22Å; F88-Q116 VanDerWaalsContact CD2-OE1 3.29Å; F88-K119 HydrophobicContact CB-CB 4.07Å; F88-K120 HydrophobicContact CD2-CB 3.81Å; F88-K120 HydrophobicContact CD2-CD 4.42Å; F88-K120 HydrophobicContact CD2-CG 4.28Å; F88-K120 HydrophobicContact CE2-CB 4.09Å; F88-K120 HydrophobicContact CE2-CD 3.87Å; F88-K120 HydrophobicContact CE2-CG 4.2Å; F88-K120 HydrophobicContact CG-CB 4.27Å; F88-K120 HydrophobicContact CZ-CD 4.03Å; F88-K120 HydrophobicContact CZ-CG 4.42Å
89S97.7Very high96.9Very high24 Ų2435.6 Ų35.617%0.16820%0.2CC..  trans-126.6108.2178.1176.30000110.7A91 A92 E93 Q116S89-A91 PolarHBondContact O-N 2.76Å; S89-A92 WeakPolarHBondContact O-CB 3.3Å; S89-A92 PolarHBondContact O-N 3.03Å; S89-A92 PolarHBondContact OG-N 3.26Å; S89-E93 PolarHBondContact O-N 3.13Å; S89-Q116 PolarHBondContact O-OE1 3.42Å; S89-Q116 VanDerWaalsContact O-OE1 3.06Å
90A97.6Very high96.9Very high64 Ų6436.1 Ų36.153%0.52920%0.204SC..Hα-helixtrans-58.7-33.8176.500000112.5F88 E93 E94F88-A90 HydrophobicContact CE1-CB 4Å; F88-A90 HydrophobicContact CZ-CB 4.06Å; A90-E93 PolarHBondContact O-N 3.05Å; A90-E94 PolarHBondContact O-N 3.18Å
91A97.4Very high96.9Very high47 Ų4743.2 Ų43.239%0.38824%0.235SC..Hα-helixtrans-67.9-37.2175.500000112L82 S89 C95L82-A91 HydrophobicContact CD1-CB 3.84Å; S89-A91 PolarHBondContact O-N 2.76Å; A91-C95 WeakPolarHBondContact O-CB 3.47Å; A91-C95 PolarHBondContact O-N 3.18Å; A91-C95 PolarHBondContact O-SG 3.25Å
92A97.9Very high96.9Very high0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-64.9-47.7172.600000110.9L82 S89 E94 C95 L96 Q116L82-A92 HydrophobicContact CB-CB 3.71Å; L82-A92 HydrophobicContact CD1-CB 4.48Å; S89-A92 WeakPolarHBondContact O-CB 3.3Å; S89-A92 PolarHBondContact O-N 3.03Å; S89-A92 PolarHBondContact OG-N 3.26Å; A92-E94 VanDerWaalsContact C-N 3.3Å; A92-E94 PolarHBondContact O-N 3.42Å; A92-C95 PolarHBondContact O-N 3.31Å; A92-L96 HydrophobicContact CB-CD1 4.33Å; A92-L96 WeakPolarHBondContact O-CB 3.48Å; A92-L96 VanDerWaalsContact O-CD1 3.31Å; A92-L96 WeakPolarHBondContact O-CD1 3.2Å; A92-L96 WeakPolarHBondContact O-CG 3.2Å; A92-L96 PolarHBondContact O-N 3.22Å; A92-Q116 HydrophobicContact CB-CG 4.03Å
93E98.3Very high96.8Very high32 Ų3249.8 Ų49.815%0.1527%0.269CS..Hα-helixtrans-54-46.5176.5-176.1-175.916600111F88 S89 A90 S97 L113 Y117 K120F88-E93 HydrophobicContact CE2-CB 4.13Å; F88-E93 VanDerWaalsContact CE2-OE2 3.24Å; F88-E93 WeakPolarHBondContact CE2-OE2 3.28Å; F88-E93 HydrophobicContact CZ-CB 4.43Å; F88-E93 WeakPolarHBondContact CZ-OE2 3.22Å; S89-E93 PolarHBondContact O-N 3.13Å; A90-E93 PolarHBondContact O-N 3.05Å; E93-S97 WeakPolarHBondContact O-CB 3.42Å; E93-S97 PolarHBondContact O-N 3.08Å; E93-S97 PolarHBondContact O-OG 2.82Å; E93-L113 HydrophobicContact CG-CD1 4.14Å; E93-Y117 HydrophobicContact CG-CE1 4.47Å; E93-Y117 WeakPolarHBondContact OE1-CE1 3.49Å; E93-Y117 PolarHBondContact OE1-OH 2.98Å; E93-K120 IonicContact OE1-NZ 3.84Å; E93-K120 PolarHBondContact OE1-NZ 3.48Å; E93-K120 VanDerWaalsContact OE1-NZ 3.14Å; E93-K120 IonicContact OE2-NZ 3.72Å; E93-K120 PolarHBondContact OE2-NZ 3.19Å
94E97.9Very high96.8Very high117 Ų11752.1 Ų52.155%0.54729%0.285SS..Hα-helixtrans-63.4-49.1178.8-171-171.1154.100112.2A90 A92 L96 S97 R98A90-E94 PolarHBondContact O-N 3.18Å; A92-E94 VanDerWaalsContact C-N 3.3Å; A92-E94 PolarHBondContact O-N 3.42Å; E94-L96 PolarHBondContact O-N 2.81Å; E94-S97 PolarHBondContact O-N 3.21Å; E94-R98 VanDerWaalsContact O-CG 3.31Å; E94-R98 WeakPolarHBondContact O-CG 3.34Å; E94-R98 PolarHBondContact O-N 2.68Å; E94-R98 IonicContact OE1-NH1 3.39Å
95C97.8Very high96.8Very high9 Ų955.9 Ų55.96%0.06131%0.311CS..Hα-helixtrans-59.3-48.4-180-69.10000111.1L75 A91 A92 R98 A99L75-C95 HydrophobicContact CD2-CB 4.29Å; A91-C95 WeakPolarHBondContact O-CB 3.47Å; A91-C95 PolarHBondContact O-N 3.18Å; A91-C95 PolarHBondContact O-SG 3.25Å; A92-C95 PolarHBondContact O-N 3.31Å; C95-R98 PolarHBondContact O-N 2.89Å; C95-A99 PolarHBondContact O-N 3.01Å
96L98.3Very high97Very high0 Ų056.1 Ų56.10%031%0.311CS..Hα-helixtrans-69.4-39.9-177.2-64.9162000111.9L76 A92 E94 R98 A99 V100 A109 I112 L113 Q116L76-L96 HydrophobicContact CD1-CD2 4.23Å; A92-L96 HydrophobicContact CB-CD1 4.33Å; A92-L96 WeakPolarHBondContact O-CB 3.48Å; A92-L96 VanDerWaalsContact O-CD1 3.31Å; A92-L96 WeakPolarHBondContact O-CD1 3.2Å; A92-L96 WeakPolarHBondContact O-CG 3.2Å; A92-L96 PolarHBondContact O-N 3.22Å; E94-L96 PolarHBondContact O-N 2.81Å; L96-R98 PolarHBondContact O-N 3.41Å; L96-A99 WeakPolarHBondContact O-CB 3.33Å; L96-A99 PolarHBondContact O-N 3.5Å; L96-A99 VanDerWaalsContact O-N 3.16Å; L96-V100 WeakPolarHBondContact O-CG2 3.49Å; L96-V100 PolarHBondContact O-N 3.46Å; L96-A109 HydrophobicContact CD2-CB 4.46Å; L96-I112 HydrophobicContact CD1-CB 3.94Å; L96-I112 HydrophobicContact CD1-CG2 3.39Å; L96-I112 HydrophobicContact CD2-CB 3.96Å; L96-I112 HydrophobicContact CD2-CD1 4.38Å; L96-I112 HydrophobicContact CD2-CG2 4Å; L96-I112 HydrophobicContact CG-CG2 4.34Å; L96-L113 HydrophobicContact CB-CB 4.03Å; L96-L113 HydrophobicContact CB-CD1 4.07Å; L96-Q116 HydrophobicContact CD1-CG 4.05Å
97S98.1Very high97.3Very high21 Ų2152.8 Ų52.815%0.14729%0.289CS..Hα-helixtrans-60.9-34.4174-65.90000112.3E93 E94 V100 K101E93-S97 WeakPolarHBondContact O-CB 3.42Å; E93-S97 PolarHBondContact O-N 3.08Å; E93-S97 PolarHBondContact O-OG 2.82Å; E94-S97 PolarHBondContact O-N 3.21Å; S97-V100 WeakPolarHBondContact O-CG2 3.41Å; S97-K101 WeakPolarHBondContact O-CD 3.49Å; S97-K101 VanDerWaalsContact O-CG 3.26Å; S97-K101 WeakPolarHBondContact O-CG 3.43Å
98R98.1Very high97.5Very high74 Ų7450.5 Ų50.528%0.27927%0.274SS..Hα-helixtrans-75.1-40.4173.9-71.1169.457.9-161-9.9111.4K69 L75 E94 C95 L96 K101 L102K69-R98 PolarHBondContact O-NH2 3.01Å; L75-R98 HydrophobicContact CD1-CB 3.9Å; E94-R98 VanDerWaalsContact O-CG 3.31Å; E94-R98 WeakPolarHBondContact O-CG 3.34Å; E94-R98 PolarHBondContact O-N 2.68Å; E94-R98 IonicContact OE1-NH1 3.39Å; C95-R98 PolarHBondContact O-N 2.89Å; L96-R98 PolarHBondContact O-N 3.41Å; R98-K101 PolarHBondContact O-N 3.35Å; R98-L102 WeakPolarHBondContact O-CG 3.41Å; R98-L102 PolarHBondContact O-N 3.07Å
99A98Very high97.6Very high0 Ų046.8 Ų46.80%026%0.258CS..Hα-helixtrans-57-51.5177.500000111.6L75 C95 L96 K101 L102 D103 A109L75-A99 HydrophobicContact CB-CB 3.93Å; C95-A99 PolarHBondContact O-N 3.01Å; L96-A99 WeakPolarHBondContact O-CB 3.33Å; L96-A99 PolarHBondContact O-N 3.5Å; L96-A99 VanDerWaalsContact O-N 3.16Å; A99-K101 PolarHBondContact O-N 3.03Å; A99-L102 PolarHBondContact O-N 3.17Å; A99-L102 VanDerWaalsContact O-N 3.15Å; A99-D103 PolarHBondContact O-N 2.99Å; A99-A109 HydrophobicContact CB-CB 4.13Å
100V97.5Very high97.6Very high11 Ų1148.2 Ų48.27%0.06726%0.26CS..Hα-helixtrans-66.8-21179.6-59.30000113.8L96 S97 D103 P104 A109 W110 L113L96-V100 WeakPolarHBondContact O-CG2 3.49Å; L96-V100 PolarHBondContact O-N 3.46Å; S97-V100 WeakPolarHBondContact O-CG2 3.41Å; V100-D103 CarbonylContact O-C 3.55Å; V100-P104 VanDerWaalsContact O-CA 3.25Å; V100-P104 WeakPolarHBondContact O-CA 3.33Å; V100-A109 HydrophobicContact CG1-CB 3.67Å; V100-W110 HydrophobicContact CB-CD2 4.18Å; V100-W110 HydrophobicContact CB-CH2 4.44Å; V100-W110 HydrophobicContact CB-CZ2 3.97Å; V100-W110 HydrophobicContact CG1-CD2 3.78Å; V100-W110 HydrophobicContact CG1-CE3 4.31Å; V100-W110 HydrophobicContact CG1-CG 3.87Å; V100-W110 HydrophobicContact CG1-CZ2 4.49Å; V100-W110 HydrophobicContact CG2-CH2 4.36Å; V100-W110 HydrophobicContact CG2-CZ2 4.35Å; V100-L113 HydrophobicContact CG2-CD2 4.09Å
101K97.5Very high97.7Very high167 Ų16745.6 Ų45.673%0.72624%0.237SC*.Hα-helixtrans-79.7-36.2173.5-75.6173.4-174.4174.90112.3S97 R98 A99S97-K101 WeakPolarHBondContact O-CD 3.49Å; S97-K101 VanDerWaalsContact O-CG 3.26Å; S97-K101 WeakPolarHBondContact O-CG 3.43Å; R98-K101 PolarHBondContact O-N 3.35Å; A99-K101 PolarHBondContact O-N 3.03Å
102L97.8Very high97.7Very high96 Ų9644.2 Ų44.250%0.50322%0.223SC..Hα-helixtrans-75.6-39.8178.5-70.8170.3000111.3A72 L75 R98 A99A72-L102 HydrophobicContact CB-CB 3.85Å; A72-L102 HydrophobicContact CB-CD1 4.49Å; L75-L102 HydrophobicContact CD1-CD1 3.61Å; R98-L102 WeakPolarHBondContact O-CG 3.41Å; R98-L102 PolarHBondContact O-N 3.07Å; A99-L102 PolarHBondContact O-N 3.17Å; A99-L102 VanDerWaalsContact O-N 3.15Å
103D97.1Very high97.7Very high59 Ų5944.5 Ų44.532%0.31623%0.225SC..  trans-138.396174.4-174.4-3.6000110.4A72 A99 V100 C105 L106A72-D103 HydrophobicContact CB-CB 3.9Å; A99-D103 PolarHBondContact O-N 2.99Å; V100-D103 CarbonylContact O-C 3.55Å; D103-C105 PolarHBondContact O-N 2.9Å; D103-C105 WeakPolarHBondContact OD1-CB 3.29Å; D103-C105 PolarHBondContact OD1-N 3.25Å; D103-L106 HydrophobicContact CB-CD1 3.82Å; D103-L106 HydrophobicContact CB-CG 3.81Å; D103-L106 PolarHBondContact O-N 3.5Å
104P96.1Very high97.7Very high60 Ų6043 Ų4339%0.3922%0.217SC..THydrogen-bonded Turntrans-62-19.4177.7-24.935.3000114.4V100 L106 W110 H136V100-P104 VanDerWaalsContact O-CA 3.25Å; V100-P104 WeakPolarHBondContact O-CA 3.33Å; P104-L106 VanDerWaalsContact C-N 3.28Å; P104-L106 PolarHBondContact O-N 3.31Å; P104-W110 PolarHBondContact O-NE1 2.79Å; P104-H136 PolarHBondContact O-CD2 3.09Å; P104-H136 VanDerWaalsContact O-CD2 3.29Å; P104-H136 PolarHBondContact O-NE2 2.99Å
105C96.2Very high97.7Very high84 Ų8439.4 Ų39.457%0.56820%0.202SC*.THydrogen-bonded Turntrans-82.2-3.9-179.3-65.50000113D103 V107D103-C105 PolarHBondContact O-N 2.9Å; D103-C105 WeakPolarHBondContact OD1-CB 3.29Å; D103-C105 PolarHBondContact OD1-N 3.25Å; C105-V107 VanDerWaalsContact C-N 3.3Å; C105-V107 PolarHBondContact O-N 3.35Å
106L96.5Very high97.7Very high28 Ų2839 Ų3915%0.14720%0.199CC..  trans-72.781.7174.9-69.1177.5000111.6A72 D103 P104 E108 A109 W110A72-L106 HydrophobicContact CB-CD1 3.64Å; D103-L106 HydrophobicContact CB-CD1 3.82Å; D103-L106 HydrophobicContact CB-CG 3.81Å; D103-L106 PolarHBondContact O-N 3.5Å; P104-L106 VanDerWaalsContact C-N 3.28Å; P104-L106 PolarHBondContact O-N 3.31Å; L106-E108 PolarHBondContact O-N 3.08Å; L106-A109 HydrophobicContact CB-CB 3.85Å; L106-A109 WeakPolarHBondContact O-CB 3.38Å; L106-A109 PolarHBondContact O-N 3.32Å; L106-W110 PolarHBondContact O-N 2.97Å
107V97.8Very high97.7Very high15 Ų1540.9 Ų40.99%0.09121%0.207CC..Hα-helixtrans-54.4-39.4179.3171.20000112.3C105 A109 W110 N111 A133 H136 E137 N139C105-V107 VanDerWaalsContact C-N 3.3Å; C105-V107 PolarHBondContact O-N 3.35Å; V107-A109 PolarHBondContact O-N 3.15Å; V107-W110 PolarHBondContact O-N 3.42Å; V107-N111 PolarHBondContact O-N 3.15Å; V107-N111 PolarHBondContact O-ND2 2.88Å; V107-A133 HydrophobicContact CG1-CB 4.3Å; V107-H136 HydrophobicContact CG2-CB 4.03Å; V107-E137 HydrophobicContact CG2-CB 3.58Å; V107-N139 HydrophobicContact CG1-CB 4.41Å; V107-N139 WeakPolarHBondContact CG1-ND2 3.45Å
108E97.6Very high97.6Very high74 Ų7442.4 Ų42.435%0.34621%0.209SC..Hα-helixtrans-63.5-40.9177.3-165.9178.3178.700111.7L76 R80 L106 W110 N111 I112L76-E108 HydrophobicContact CD1-CB 4.29Å; L76-E108 HydrophobicContact CD1-CG 4.16Å; L76-E108 HydrophobicContact CD2-CB 4.22Å; R80-E108 VanDerWaalsContact CD-OE1 3.22Å; R80-E108 WeakPolarHBondContact CD-OE1 3.47Å; R80-E108 IonicContact CZ-OE1 2.6Å; R80-E108 IonicContact NE-OE1 3.46Å; R80-E108 PolarHBondContact NE-OE1 3.38Å; R80-E108 VanDerWaalsContact NE-OE1 3.14Å; R80-E108 IonicContact NH1-OE1 2.63Å; R80-E108 PolarHBondContact NH1-OE1 3.39Å; R80-E108 IonicContact NH1-OE2 2.69Å; L106-E108 PolarHBondContact O-N 3.08Å; E108-W110 PolarHBondContact O-N 3.3Å; E108-N111 WeakPolarHBondContact O-CB 3.3Å; E108-N111 PolarHBondContact O-N 2.97Å; E108-N111 VanDerWaalsContact O-N 3.17Å; E108-I112 HydrophobicContact CG-CD1 3.82Å; E108-I112 WeakPolarHBondContact O-CD1 3.36Å; E108-I112 VanDerWaalsContact O-CG1 3.29Å; E108-I112 WeakPolarHBondContact O-CG1 3.37Å; E108-I112 PolarHBondContact O-N 3.06Å
109A98.1Very high97.5Very high0 Ų041.4 Ų41.40%021%0.207CC..Hα-helixtrans-63.5-41.2177.300000111.8L76 L96 A99 V100 L106 V107 N111 I112 L113L76-A109 HydrophobicContact CD1-CB 3.96Å; L96-A109 HydrophobicContact CD2-CB 4.46Å; A99-A109 HydrophobicContact CB-CB 4.13Å; V100-A109 HydrophobicContact CG1-CB 3.67Å; L106-A109 HydrophobicContact CB-CB 3.85Å; L106-A109 WeakPolarHBondContact O-CB 3.38Å; L106-A109 PolarHBondContact O-N 3.32Å; V107-A109 PolarHBondContact O-N 3.15Å; A109-N111 VanDerWaalsContact C-N 3.34Å; A109-N111 PolarHBondContact O-N 3.23Å; A109-I112 PolarHBondContact O-N 3.04Å; A109-L113 VanDerWaalsContact O-CB 3.24Å; A109-L113 WeakPolarHBondContact O-CB 3.41Å; A109-L113 PolarHBondContact O-N 3.01Å
110W98.6Very high97.4Very high54 Ų5446.3 Ų46.321%0.20523%0.228CC..Hα-helixtrans-60.8-42.4172.8-75.3107000112.5V100 P104 L106 V107 E108 L113 G114 C129 A133V100-W110 HydrophobicContact CB-CD2 4.18Å; V100-W110 HydrophobicContact CB-CH2 4.44Å; V100-W110 HydrophobicContact CB-CZ2 3.97Å; V100-W110 HydrophobicContact CG1-CD2 3.78Å; V100-W110 HydrophobicContact CG1-CE3 4.31Å; V100-W110 HydrophobicContact CG1-CG 3.87Å; V100-W110 HydrophobicContact CG1-CZ2 4.49Å; V100-W110 HydrophobicContact CG2-CH2 4.36Å; V100-W110 HydrophobicContact CG2-CZ2 4.35Å; P104-W110 PolarHBondContact O-NE1 2.79Å; L106-W110 PolarHBondContact O-N 2.97Å; V107-W110 PolarHBondContact O-N 3.42Å; E108-W110 PolarHBondContact O-N 3.3Å; W110-L113 PolarHBondContact O-N 3.33Å; W110-G114 PolarHBondContact O-N 2.78Å; W110-C129 HydrophobicContact CE3-CB 4.18Å; W110-C129 WeakPolarHBondContact O-CB 3.4Å; W110-A133 HydrophobicContact CB-CB 3.69Å; W110-A133 HydrophobicContact CG-CB 4.39Å
111N98.3Very high97.3Very high10 Ų1048.4 Ų48.45%0.05325%0.252CS..Hα-helixtrans-63.8-44.8178.9-77-34.9000112.3V107 E108 A109 G114 D115 F130 N139 V141 S142V107-N111 PolarHBondContact O-N 3.15Å; V107-N111 PolarHBondContact O-ND2 2.88Å; E108-N111 WeakPolarHBondContact O-CB 3.3Å; E108-N111 PolarHBondContact O-N 2.97Å; E108-N111 VanDerWaalsContact O-N 3.17Å; A109-N111 VanDerWaalsContact C-N 3.34Å; A109-N111 PolarHBondContact O-N 3.23Å; N111-G114 PolarHBondContact O-N 3.16Å; N111-D115 PolarHBondContact O-N 3.31Å; N111-F130 VanDerWaalsContact O-CE1 3.25Å; N111-F130 WeakPolarHBondContact O-CE1 3.36Å; N111-N139 PolarHBondContact ND2-OD1 3.49Å; N111-V141 HydrophobicContact CB-CG1 3.87Å; N111-S142 VanDerWaalsContact CG-OG 3.27Å; N111-S142 PolarHBondContact ND2-OG 3.14Å; N111-S142 WeakPolarHBondContact OD1-CA 3.29Å; N111-S142 WeakPolarHBondContact OD1-CB 3.4Å; N111-S142 PolarHBondContact OD1-N 3.2Å; N111-S142 PolarHBondContact OD1-OG 2.73Å
112I98.1Very high97.3Very high18 Ų1843.8 Ų43.89%0.09224%0.235CC..Hα-helixtrans-72.8-34.7-179.2-57.1153.9000110.4L76 R80 N83 L96 E108 A109 G114 D115 Q116L76-I112 HydrophobicContact CD1-CD1 3.5Å; L76-I112 VanDerWaalsContact CD1-CD1 3.5Å; R80-I112 HydrophobicContact CB-CD1 4.44Å; R80-I112 HydrophobicContact CG-CD1 3.19Å; R80-I112 HydrophobicContact CG-CG1 4.4Å; N83-I112 HydrophobicContact CB-CG2 3.67Å; L96-I112 HydrophobicContact CD1-CB 3.94Å; L96-I112 HydrophobicContact CD1-CG2 3.39Å; L96-I112 HydrophobicContact CD2-CB 3.96Å; L96-I112 HydrophobicContact CD2-CD1 4.38Å; L96-I112 HydrophobicContact CD2-CG2 4Å; L96-I112 HydrophobicContact CG-CG2 4.34Å; E108-I112 HydrophobicContact CG-CD1 3.82Å; E108-I112 WeakPolarHBondContact O-CD1 3.36Å; E108-I112 VanDerWaalsContact O-CG1 3.29Å; E108-I112 WeakPolarHBondContact O-CG1 3.37Å; E108-I112 PolarHBondContact O-N 3.06Å; A109-I112 PolarHBondContact O-N 3.04Å; I112-G114 VanDerWaalsContact C-N 3.31Å; I112-G114 PolarHBondContact O-N 3.21Å; I112-D115 WeakPolarHBondContact O-CB 3.27Å; I112-D115 PolarHBondContact O-N 2.65Å; I112-Q116 PolarHBondContact O-N 3.16Å
113L98.4Very high97.2Very high6 Ų640.5 Ų40.53%0.03122%0.218CC..Hα-helixtrans-62.9-40.9172.6-176.458.6000111.3E93 L96 V100 A109 W110 D115 Q116 Y117E93-L113 HydrophobicContact CG-CD1 4.14Å; L96-L113 HydrophobicContact CB-CB 4.03Å; L96-L113 HydrophobicContact CB-CD1 4.07Å; V100-L113 HydrophobicContact CG2-CD2 4.09Å; A109-L113 VanDerWaalsContact O-CB 3.24Å; A109-L113 WeakPolarHBondContact O-CB 3.41Å; A109-L113 PolarHBondContact O-N 3.01Å; W110-L113 PolarHBondContact O-N 3.33Å; L113-D115 VanDerWaalsContact C-N 3.32Å; L113-D115 PolarHBondContact O-N 3.03Å; L113-Q116 WeakPolarHBondContact O-CB 3.35Å; L113-Q116 PolarHBondContact O-N 3.46Å; L113-Y117 HydrophobicContact CD1-CD2 4.27Å; L113-Y117 HydrophobicContact CD1-CE2 3.75Å; L113-Y117 HydrophobicContact CD2-CE2 4.22Å; L113-Y117 HydrophobicContact CG-CD2 4.08Å; L113-Y117 HydrophobicContact CG-CE2 3.7Å; L113-Y117 VanDerWaalsContact O-CD2 3.3Å; L113-Y117 WeakPolarHBondContact O-CD2 3.49Å; L113-Y117 PolarHBondContact O-N 3.33Å
114G98.2Very high97.2Very high0 Ų041.9 Ų41.90%023%0.229CC..Hα-helixtrans-61.5-38.7173.600000113W110 N111 I112 Y117 W118 S126 F130W110-G114 PolarHBondContact O-N 2.78Å; N111-G114 PolarHBondContact O-N 3.16Å; I112-G114 VanDerWaalsContact C-N 3.31Å; I112-G114 PolarHBondContact O-N 3.21Å; G114-Y117 PolarHBondContact O-N 2.93Å; G114-W118 PolarHBondContact O-N 2.8Å; G114-S126 WeakPolarHBondContact O-CB 3.44Å; G114-S126 PolarHBondContact O-OG 2.69Å; G114-F130 VanDerWaalsContact C-CZ 3.42Å
115D97Very high97.3Very high42 Ų4239.9 Ų39.923%0.22522%0.217CC..Hα-helixtrans-66.3-38.6173.4-173.148.8000112.1N83 N111 I112 L113 Y117 W118 K119N83-D115 PolarHBondContact ND2-OD2 3.29Å; N83-D115 PolarHBondContact OD1-OD2 2.92Å; N83-D115 VanDerWaalsContact OD1-OD2 3.09Å; N111-D115 PolarHBondContact O-N 3.31Å; I112-D115 WeakPolarHBondContact O-CB 3.27Å; I112-D115 PolarHBondContact O-N 2.65Å; L113-D115 VanDerWaalsContact C-N 3.32Å; L113-D115 PolarHBondContact O-N 3.03Å; D115-Y117 PolarHBondContact O-N 3.42Å; D115-W118 VanDerWaalsContact O-CB 3.3Å; D115-W118 WeakPolarHBondContact O-CB 3.31Å; D115-W118 PolarHBondContact O-N 2.97Å; D115-K119 WeakPolarHBondContact O-CG 3.45Å; D115-K119 PolarHBondContact O-N 3.35Å; D115-K119 VanDerWaalsContact OD2-CE 3.26Å; D115-K119 WeakPolarHBondContact OD2-CE 3.19Å; D115-K119 IonicContact OD2-NZ 3.94Å; D115-K119 PolarHBondContact OD2-NZ 3.26Å
116Q97.9Very high97.4Very high0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-62.6-43172.7-77.9-65.6-49.500112.3N83 F88 S89 A92 L96 I112 L113 W118 K119 K120N83-Q116 PolarHBondContact OD1-NE2 3.05Å; F88-Q116 VanDerWaalsContact CD2-OE1 3.29Å; S89-Q116 PolarHBondContact O-OE1 3.42Å; S89-Q116 VanDerWaalsContact O-OE1 3.06Å; A92-Q116 HydrophobicContact CB-CG 4.03Å; L96-Q116 HydrophobicContact CD1-CG 4.05Å; I112-Q116 PolarHBondContact O-N 3.16Å; L113-Q116 WeakPolarHBondContact O-CB 3.35Å; L113-Q116 PolarHBondContact O-N 3.46Å; Q116-W118 VanDerWaalsContact C-N 3.3Å; Q116-W118 PolarHBondContact O-N 3.25Å; Q116-K119 PolarHBondContact O-N 3.05Å; Q116-K120 WeakPolarHBondContact O-CB 3.38Å; Q116-K120 PolarHBondContact O-N 3.46Å
117Y98.2Very high97.5Very high39 Ų3937.2 Ų37.215%0.15320%0.195CC..Hα-helixtrans-65.4-34.1174-75.8-54.6000112.8E93 L113 G114 D115 K120 G121 D122 A125E93-Y117 HydrophobicContact CG-CE1 4.47Å; E93-Y117 WeakPolarHBondContact OE1-CE1 3.49Å; E93-Y117 PolarHBondContact OE1-OH 2.98Å; L113-Y117 HydrophobicContact CD1-CD2 4.27Å; L113-Y117 HydrophobicContact CD1-CE2 3.75Å; L113-Y117 HydrophobicContact CD2-CE2 4.22Å; L113-Y117 HydrophobicContact CG-CD2 4.08Å; L113-Y117 HydrophobicContact CG-CE2 3.7Å; L113-Y117 VanDerWaalsContact O-CD2 3.3Å; L113-Y117 WeakPolarHBondContact O-CD2 3.49Å; L113-Y117 PolarHBondContact O-N 3.33Å; G114-Y117 PolarHBondContact O-N 2.93Å; D115-Y117 PolarHBondContact O-N 3.42Å; Y117-K120 HydrophobicContact CD1-CD 4.25Å; Y117-K120 PolarHBondContact O-N 3.25Å; Y117-G121 PolarHBondContact O-N 3.02Å; Y117-G121 VanDerWaalsContact O-N 3.15Å; Y117-D122 HydrophobicContact CD1-CB 4.19Å; Y117-D122 PolarHBondContact O-N 3.23Å; Y117-A125 HydrophobicContact CD1-CB 3.63Å; Y117-A125 HydrophobicContact CD2-CB 3.7Å; Y117-A125 HydrophobicContact CE1-CB 4.02Å; Y117-A125 HydrophobicContact CE2-CB 4.04Å; Y117-A125 HydrophobicContact CG-CB 3.5Å; Y117-A125 VanDerWaalsContact CG-CB 3.5Å
118W96.3Very high97.5Very high54 Ų5441.2 Ų41.221%0.20522%0.216CC..Hα-helixtrans-60.3-51.8171.5175.9-94.9000111.4G114 D115 Q116 K120 G121 L123 M148 V149 Q152G114-W118 PolarHBondContact O-N 2.8Å; D115-W118 VanDerWaalsContact O-CB 3.3Å; D115-W118 WeakPolarHBondContact O-CB 3.31Å; D115-W118 PolarHBondContact O-N 2.97Å; Q116-W118 VanDerWaalsContact C-N 3.3Å; Q116-W118 PolarHBondContact O-N 3.25Å; W118-K120 PolarHBondContact O-N 3.18Å; W118-G121 WeakPolarHBondContact O-CA 3.31Å; W118-G121 PolarHBondContact O-N 2.84Å; W118-L123 HydrophobicContact CD2-CD2 4.2Å; W118-L123 HydrophobicContact CE3-CD2 3.29Å; W118-L123 HydrophobicContact CH2-CD2 4.47Å; W118-L123 HydrophobicContact CZ3-CD2 3.43Å; W118-L123 VanDerWaalsContact CZ3-CD2 3.43Å; W118-M148 HydrophobicContact CH2-CB 4.39Å; W118-M148 HydrophobicContact CZ2-CE 4.33Å; W118-V149 HydrophobicContact CE3-CG2 3.66Å; W118-V149 HydrophobicContact CZ3-CB 4.25Å; W118-V149 HydrophobicContact CZ3-CG2 3.72Å; W118-Q152 HydrophobicContact CH2-CB 4.01Å; W118-Q152 HydrophobicContact CH2-CG 3.77Å; W118-Q152 HydrophobicContact CZ3-CB 4.21Å; W118-Q152 HydrophobicContact CZ3-CG 4.47Å
119K95.4Very high97.5Very high53 Ų5338 Ų3823%0.2320%0.201CC..Hα-helixtrans-60.1-31.5176.7-67.9170.9177-179.50113N83 T85 P86 F88 D115 Q116 G121N83-K119 PolarHBondContact O-NZ 3.38Å; N83-K119 PolarHBondContact OD1-NZ 3.28Å; T85-K119 PolarHBondContact O-NZ 3.17Å; P86-K119 WeakPolarHBondContact O-CD 3.4Å; P86-K119 WeakPolarHBondContact O-CE 3.49Å; P86-K119 WeakPolarHBondContact O-CG 3.31Å; F88-K119 HydrophobicContact CB-CB 4.07Å; D115-K119 WeakPolarHBondContact O-CG 3.45Å; D115-K119 PolarHBondContact O-N 3.35Å; D115-K119 VanDerWaalsContact OD2-CE 3.26Å; D115-K119 WeakPolarHBondContact OD2-CE 3.19Å; D115-K119 IonicContact OD2-NZ 3.94Å; D115-K119 PolarHBondContact OD2-NZ 3.26Å; Q116-K119 PolarHBondContact O-N 3.05Å; K119-G121 VanDerWaalsContact C-N 3.28Å
120K96.3Very high97.6Very high102 Ų10238.1 Ų38.144%0.44320%0.202SC..THydrogen-bonded Turntrans-75-13.7174-166.2177-174.21690113.5F88 E93 Q116 Y117 W118 D122F88-K120 HydrophobicContact CD2-CB 3.81Å; F88-K120 HydrophobicContact CD2-CD 4.42Å; F88-K120 HydrophobicContact CD2-CG 4.28Å; F88-K120 HydrophobicContact CE2-CB 4.09Å; F88-K120 HydrophobicContact CE2-CD 3.87Å; F88-K120 HydrophobicContact CE2-CG 4.2Å; F88-K120 HydrophobicContact CG-CB 4.27Å; F88-K120 HydrophobicContact CZ-CD 4.03Å; F88-K120 HydrophobicContact CZ-CG 4.42Å; E93-K120 IonicContact OE1-NZ 3.84Å; E93-K120 PolarHBondContact OE1-NZ 3.48Å; E93-K120 VanDerWaalsContact OE1-NZ 3.14Å; E93-K120 IonicContact OE2-NZ 3.72Å; E93-K120 PolarHBondContact OE2-NZ 3.19Å; Q116-K120 WeakPolarHBondContact O-CB 3.38Å; Q116-K120 PolarHBondContact O-N 3.46Å; Y117-K120 HydrophobicContact CD1-CD 4.25Å; Y117-K120 PolarHBondContact O-N 3.25Å; W118-K120 PolarHBondContact O-N 3.18Å; K120-D122 VanDerWaalsContact C-N 3.34Å
121G95.4Very high97.5Very high56 Ų5637.9 Ų37.958%0.57721%0.206SC*.THydrogen-bonded Turntrans81.46.1-173.800000114.7Y117 W118 K119 L123Y117-G121 PolarHBondContact O-N 3.02Å; Y117-G121 VanDerWaalsContact O-N 3.15Å; W118-G121 WeakPolarHBondContact O-CA 3.31Å; W118-G121 PolarHBondContact O-N 2.84Å; K119-G121 VanDerWaalsContact C-N 3.28Å; G121-L123 PolarHBondContact O-N 3.34Å; G121-L123 VanDerWaalsContact O-N 3.14Å
122D97.3Very high97.5Very high69 Ų6937.9 Ų37.937%0.36921%0.209SC..  trans-86.778.3175.5-168.1-19.1000110.6Y117 K120 V124 A125 S126Y117-D122 HydrophobicContact CD1-CB 4.19Å; Y117-D122 PolarHBondContact O-N 3.23Å; K120-D122 VanDerWaalsContact C-N 3.34Å; D122-V124 PolarHBondContact O-N 3.19Å; D122-V124 PolarHBondContact OD1-N 3.43Å; D122-A125 HydrophobicContact CB-CB 4.13Å; D122-A125 PolarHBondContact O-N 3.18Å; D122-A125 WeakPolarHBondContact OD1-CB 3.48Å; D122-A125 PolarHBondContact OD1-N 3.14Å; D122-A125 WeakPolarHBondContact OD2-CB 3.28Å; D122-S126 WeakPolarHBondContact O-CB 3.29Å; D122-S126 PolarHBondContact O-N 2.96Å
123L96.4Very high97.4Very high28 Ų2837 Ų3715%0.14720%0.204CC..Hα-helixtrans-63-26.4-177.7-58.5-174.1000113.2W118 G121 K127 V149 Q152 L153W118-L123 HydrophobicContact CD2-CD2 4.2Å; W118-L123 HydrophobicContact CE3-CD2 3.29Å; W118-L123 HydrophobicContact CH2-CD2 4.47Å; W118-L123 HydrophobicContact CZ3-CD2 3.43Å; W118-L123 VanDerWaalsContact CZ3-CD2 3.43Å; G121-L123 PolarHBondContact O-N 3.34Å; G121-L123 VanDerWaalsContact O-N 3.14Å; L123-K127 WeakPolarHBondContact O-CB 3.35Å; L123-K127 PolarHBondContact O-N 3.13Å; L123-V149 HydrophobicContact CB-CG1 4.5Å; L123-V149 WeakPolarHBondContact O-CG1 3.35Å; L123-Q152 HydrophobicContact CD1-CB 4.04Å; L123-Q152 WeakPolarHBondContact CD1-O 3.47Å; L123-L153 HydrophobicContact CB-CD2 3.69Å
124V97.3Very high97.4Very high88 Ų8838.8 Ų38.853%0.53321%0.213SC..Hα-helixtrans-75-47.5179.4178.50000110.1D122 S126 K127 N128 L153D122-V124 PolarHBondContact O-N 3.19Å; D122-V124 PolarHBondContact OD1-N 3.43Å; V124-S126 VanDerWaalsContact C-N 3.29Å; V124-S126 PolarHBondContact O-N 3.19Å; V124-K127 PolarHBondContact O-N 2.87Å; V124-N128 VanDerWaalsContact O-CG 3.23Å; V124-N128 PolarHBondContact O-N 2.88Å; V124-N128 PolarHBondContact O-ND2 3.16Å; V124-L153 HydrophobicContact CG2-CD2 4.42Å
125A97.9Very high97.3Very high17 Ų1746.1 Ų46.114%0.1425%0.248CC..Hα-helixtrans-62.6-38.7174.400000111.6Y117 D122 N128 C129Y117-A125 HydrophobicContact CD1-CB 3.63Å; Y117-A125 HydrophobicContact CD2-CB 3.7Å; Y117-A125 HydrophobicContact CE1-CB 4.02Å; Y117-A125 HydrophobicContact CE2-CB 4.04Å; Y117-A125 HydrophobicContact CG-CB 3.5Å; Y117-A125 VanDerWaalsContact CG-CB 3.5Å; D122-A125 HydrophobicContact CB-CB 4.13Å; D122-A125 PolarHBondContact O-N 3.18Å; D122-A125 WeakPolarHBondContact OD1-CB 3.48Å; D122-A125 PolarHBondContact OD1-N 3.14Å; D122-A125 WeakPolarHBondContact OD2-CB 3.28Å; A125-N128 PolarHBondContact O-N 3.45Å; A125-C129 PolarHBondContact O-N 2.87Å; A125-C129 PolarHBondContact O-SG 2.91Å
126S98.3Very high97.3Very high0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-58.8-50.3174-172.20000112G114 D122 V124 N128 C129 F130 V149G114-S126 WeakPolarHBondContact O-CB 3.44Å; G114-S126 PolarHBondContact O-OG 2.69Å; D122-S126 WeakPolarHBondContact O-CB 3.29Å; D122-S126 PolarHBondContact O-N 2.96Å; V124-S126 VanDerWaalsContact C-N 3.29Å; V124-S126 PolarHBondContact O-N 3.19Å; S126-N128 VanDerWaalsContact C-N 3.31Å; S126-N128 PolarHBondContact O-N 3.32Å; S126-C129 PolarHBondContact O-N 2.94Å; S126-F130 WeakPolarHBondContact O-CD2 3.43Å; S126-F130 PolarHBondContact O-N 3.04Å; S126-F130 VanDerWaalsContact O-N 3.16Å; S126-F130 WeakPolarHBondContact OG-CE2 3.35Å; S126-V149 WeakPolarHBondContact OG-CG2 3.41Å
127K98.3Very high97.2Very high57 Ų5753.9 Ų53.925%0.24828%0.282CS..Hα-helixtrans-54.8-45.8173.8174.7172.3179.3170.90112.1L123 V124 C129 F130 T131 L146 V149 L150 L153L123-K127 WeakPolarHBondContact O-CB 3.35Å; L123-K127 PolarHBondContact O-N 3.13Å; V124-K127 PolarHBondContact O-N 2.87Å; K127-C129 VanDerWaalsContact C-N 3.31Å; K127-C129 PolarHBondContact O-N 3.02Å; K127-F130 PolarHBondContact O-N 3.27Å; K127-T131 WeakPolarHBondContact O-CB 3.39Å; K127-T131 PolarHBondContact O-N 2.92Å; K127-T131 PolarHBondContact O-OG1 3.29Å; K127-L146 HydrophobicContact CB-CD1 4.47Å; K127-L146 HydrophobicContact CG-CD1 3.83Å; K127-V149 HydrophobicContact CB-CG1 3.85Å; K127-L150 HydrophobicContact CD-CD2 4.36Å; K127-L153 HydrophobicContact CD-CD1 3.74Å
128N98.1Very high97.2Very high99 Ų9957.4 Ų57.453%0.52930%0.298SS..Hα-helixtrans-62.4-39.9-178.1-69.4-19.8000111.3V124 A125 S126 T131 G132V124-N128 VanDerWaalsContact O-CG 3.23Å; V124-N128 PolarHBondContact O-N 2.88Å; V124-N128 PolarHBondContact O-ND2 3.16Å; A125-N128 PolarHBondContact O-N 3.45Å; S126-N128 VanDerWaalsContact C-N 3.31Å; S126-N128 PolarHBondContact O-N 3.32Å; N128-T131 PolarHBondContact O-N 2.87Å; N128-G132 PolarHBondContact O-N 2.97Å
129C98.5Very high97.3Very high6 Ų655.8 Ų55.84%0.04129%0.294CS..Hα-helixtrans-63.9-48.6177.2-66.10000112.3W110 A125 S126 K127 T131 G132 A133W110-C129 HydrophobicContact CE3-CB 4.18Å; W110-C129 WeakPolarHBondContact O-CB 3.4Å; A125-C129 PolarHBondContact O-N 2.87Å; A125-C129 PolarHBondContact O-SG 2.91Å; S126-C129 PolarHBondContact O-N 2.94Å; K127-C129 VanDerWaalsContact C-N 3.31Å; K127-C129 PolarHBondContact O-N 3.02Å; C129-T131 VanDerWaalsContact C-N 3.32Å; C129-T131 PolarHBondContact O-N 3.08Å; C129-G132 PolarHBondContact O-N 3.19Å; C129-A133 PolarHBondContact O-N 3.42Å
130F98.5Very high97.4Very high3 Ų356 Ų561%0.01330%0.295CS..Hα-helixtrans-66.5-35.6178.7-58.5-47.8000112.5N111 G114 S126 K127 A133 L134 N145 L146 V149N111-F130 VanDerWaalsContact O-CE1 3.25Å; N111-F130 WeakPolarHBondContact O-CE1 3.36Å; G114-F130 VanDerWaalsContact C-CZ 3.42Å; S126-F130 WeakPolarHBondContact O-CD2 3.43Å; S126-F130 PolarHBondContact O-N 3.04Å; S126-F130 VanDerWaalsContact O-N 3.16Å; S126-F130 WeakPolarHBondContact OG-CE2 3.35Å; K127-F130 PolarHBondContact O-N 3.27Å; F130-A133 PolarHBondContact O-N 2.79Å; F130-L134 WeakPolarHBondContact O-CG 3.25Å; F130-L134 PolarHBondContact O-N 2.98Å; F130-L134 VanDerWaalsContact O-N 3.16Å; F130-N145 HydrophobicContact CD1-CB 3.77Å; F130-N145 HydrophobicContact CD2-CB 3.76Å; F130-N145 HydrophobicContact CE1-CB 3.43Å; F130-N145 VanDerWaalsContact CE1-CB 3.43Å; F130-N145 VanDerWaalsContact CE1-ND2 3.29Å; F130-N145 WeakPolarHBondContact CE1-ND2 3.24Å; F130-N145 HydrophobicContact CE2-CB 3.42Å; F130-N145 VanDerWaalsContact CE2-CB 3.42Å; F130-N145 HydrophobicContact CG-CB 3.95Å; F130-N145 HydrophobicContact CZ-CB 3.27Å; F130-L146 HydrophobicContact CB-CB 4Å; F130-L146 HydrophobicContact CB-CD1 4.44Å; F130-V149 HydrophobicContact CD2-CG2 3.95Å; F130-V149 HydrophobicContact CE2-CG2 3.71Å
131T98.1Very high97.5Very high49 Ų4953.6 Ų53.630%0.30129%0.288SS..Hα-helixtrans-65.1-43.2173.7-53.30000110.8K127 N128 C129 L134 Q135K127-T131 WeakPolarHBondContact O-CB 3.39Å; K127-T131 PolarHBondContact O-N 2.92Å; K127-T131 PolarHBondContact O-OG1 3.29Å; N128-T131 PolarHBondContact O-N 2.87Å; C129-T131 VanDerWaalsContact C-N 3.32Å; C129-T131 PolarHBondContact O-N 3.08Å; T131-L134 PolarHBondContact O-N 3.02Å; T131-Q135 WeakPolarHBondContact O-CG 3.17Å; T131-Q135 PolarHBondContact O-N 3.45Å
132G96.7Very high97.6Very high10 Ų1050.9 Ų50.910%0.10326%0.261CS..Hα-helixtrans-61-45.6175.600000112.3N128 C129 L134 Q135 H136N128-G132 PolarHBondContact O-N 2.97Å; C129-G132 PolarHBondContact O-N 3.19Å; G132-L134 VanDerWaalsContact C-N 3.29Å; G132-L134 PolarHBondContact O-N 3.26Å; G132-Q135 WeakPolarHBondContact O-CB 3.44Å; G132-Q135 PolarHBondContact O-N 2.88Å; G132-H136 PolarHBondContact O-CD2 3.43Å; G132-H136 VanDerWaalsContact O-CD2 3.27Å; G132-H136 PolarHBondContact O-N 3.47Å
133A97.9Very high97.7Very high0 Ų047.8 Ų47.80%024%0.244CC..Hα-helixtrans-54.3-44.9174.700000112.2V107 W110 C129 F130 Q135 H136 E137 S142V107-A133 HydrophobicContact CG1-CB 4.3Å; W110-A133 HydrophobicContact CB-CB 3.69Å; W110-A133 HydrophobicContact CG-CB 4.39Å; C129-A133 PolarHBondContact O-N 3.42Å; F130-A133 PolarHBondContact O-N 2.79Å; A133-Q135 VanDerWaalsContact C-N 3.29Å; A133-Q135 PolarHBondContact O-N 3.02Å; A133-H136 PolarHBondContact O-N 3.47Å; A133-H136 VanDerWaalsContact O-N 3.16Å; A133-E137 PolarHBondContact O-N 3.41Å; A133-S142 WeakPolarHBondContact CB-OG 3.49Å
134L97.8Very high97.8Very high43 Ų4347.8 Ų47.823%0.22524%0.242CC..Hα-helixtrans-69.5-20.6179-70.2171.4000114.3F130 T131 G132 H136 L143 L146F130-L134 WeakPolarHBondContact O-CG 3.25Å; F130-L134 PolarHBondContact O-N 2.98Å; F130-L134 VanDerWaalsContact O-N 3.16Å; T131-L134 PolarHBondContact O-N 3.02Å; G132-L134 VanDerWaalsContact C-N 3.29Å; G132-L134 PolarHBondContact O-N 3.26Å; L134-H136 VanDerWaalsContact C-N 3.31Å; L134-L143 HydrophobicContact CD1-CD2 4.03Å; L134-L143 HydrophobicContact CD2-CD2 3.95Å; L134-L143 HydrophobicContact CD2-CG 3.97Å; L134-L146 HydrophobicContact CD1-CD2 3.84Å
135Q96.8Very high97.8Very high154 Ų15445.1 Ų45.172%0.7223%0.225SC*.Hα-helixtrans-71.8-28.4172.3-69.5173.85.200112T131 G132 A133T131-Q135 WeakPolarHBondContact O-CG 3.17Å; T131-Q135 PolarHBondContact O-N 3.45Å; G132-Q135 WeakPolarHBondContact O-CB 3.44Å; G132-Q135 PolarHBondContact O-N 2.88Å; A133-Q135 VanDerWaalsContact C-N 3.29Å; A133-Q135 PolarHBondContact O-N 3.02Å
136H96.1Very high97.8Very high85 Ų8544.8 Ų44.839%0.39422%0.221SC..Hα-helixtrans-87.4-49.9177.8-68.8-73000111.9P104 V107 G132 A133 L134P104-H136 PolarHBondContact O-CD2 3.09Å; P104-H136 VanDerWaalsContact O-CD2 3.29Å; P104-H136 PolarHBondContact O-NE2 2.99Å; V107-H136 HydrophobicContact CG2-CB 4.03Å; G132-H136 PolarHBondContact O-CD2 3.43Å; G132-H136 VanDerWaalsContact O-CD2 3.27Å; G132-H136 PolarHBondContact O-N 3.47Å; A133-H136 PolarHBondContact O-N 3.47Å; A133-H136 VanDerWaalsContact O-N 3.16Å; L134-H136 VanDerWaalsContact C-N 3.31Å
137E96.8Very high97.8Very high119 Ų11944.8 Ų44.856%0.55622%0.221SC*.  trans-149.9129.7-179.9-165.9-171.4147.100111.4V107 A133 N139V107-E137 HydrophobicContact CG2-CB 3.58Å; A133-E137 PolarHBondContact O-N 3.41Å; E137-N139 PolarHBondContact O-N 3.41Å; E137-N139 PolarHBondContact O-ND2 3.27Å
138K97.1Very high97.7Very high113 Ų11344.2 Ų44.249%0.49122%0.22SC..  trans-69.6115.3171.3-173177.9-174.3171.70109.8L143 E174 L178K138-L143 HydrophobicContact CG-CD1 4.39Å; K138-E174 WeakPolarHBondContact CE-OE2 3.4Å; K138-E174 IonicContact NZ-OE2 2.68Å; K138-E174 PolarHBondContact NZ-OE2 3.23Å; K138-L178 HydrophobicContact CG-CD1 4.32Å
139N97.9Very high97.7Very high20 Ų2039.6 Ų39.611%0.10720%0.195CC..  trans-142.3154.4-177.172.189.1000111.7V107 N111 E137 V141 S142 L143V107-N139 HydrophobicContact CG1-CB 4.41Å; V107-N139 WeakPolarHBondContact CG1-ND2 3.45Å; N111-N139 PolarHBondContact ND2-OD1 3.49Å; E137-N139 PolarHBondContact O-N 3.41Å; E137-N139 PolarHBondContact O-ND2 3.27Å; N139-V141 PolarHBondContact O-N 3.24Å; N139-V141 PolarHBondContact OD1-N 3.19Å; N139-S142 PolarHBondContact ND2-OG 3.05Å; N139-S142 PolarHBondContact OD1-N 3.37Å; N139-S142 PolarHBondContact OD1-OG 3.21Å; N139-L143 VanDerWaalsContact O-CG 3.3Å; N139-L143 WeakPolarHBondContact O-CG 3.26Å; N139-L143 PolarHBondContact O-N 2.67Å
140K97.8Very high97.6Very high59 Ų5939.3 Ų39.326%0.25719%0.193SC..Hα-helixtrans-68.9-29.1-175.164.3178.1-172.9163.10114.3R144 A175 L178 D179 D182K140-R144 WeakPolarHBondContact O-CB 3.48Å; K140-R144 VanDerWaalsContact O-CG 3.25Å; K140-R144 WeakPolarHBondContact O-CG 3.44Å; K140-R144 PolarHBondContact O-N 2.85Å; K140-R144 VanDerWaalsContact O-N 3.08Å; K140-R144 PolarHBondContact O-NE 3.27Å; K140-A175 HydrophobicContact CB-CB 4.44Å; K140-L178 HydrophobicContact CB-CB 4.36Å; K140-L178 HydrophobicContact CB-CD1 4.27Å; K140-D179 HydrophobicContact CD-CB 3.81Å; K140-D179 IonicContact NZ-OD2 3.35Å; K140-D179 PolarHBondContact NZ-OD2 3.18Å; K140-D182 WeakPolarHBondContact CD-OD2 3.48Å; K140-D182 IonicContact NZ-OD2 2.66Å; K140-D182 PolarHBondContact NZ-OD2 3.47Å
141V98Very high97.4Very high50 Ų5040.3 Ų40.330%0.30320%0.196SC..Hα-helixtrans-66.6-51.7-180-178.60000109.9N111 N139 L143 R144 N145N111-V141 HydrophobicContact CB-CG1 3.87Å; N139-V141 PolarHBondContact O-N 3.24Å; N139-V141 PolarHBondContact OD1-N 3.19Å; V141-L143 VanDerWaalsContact C-N 3.34Å; V141-L143 PolarHBondContact O-N 2.95Å; V141-R144 PolarHBondContact O-N 2.93Å; V141-N145 VanDerWaalsContact O-CG 3.28Å; V141-N145 PolarHBondContact O-N 3.09Å; V141-N145 PolarHBondContact O-OD1 3.49Å
142S98.4Very high97.2Very high0 Ų041.9 Ų41.90%020%0.201CC..Hα-helixtrans-62.4-40.9179.5-49.40000112N111 A133 N139 N145 L146N111-S142 VanDerWaalsContact CG-OG 3.27Å; N111-S142 PolarHBondContact ND2-OG 3.14Å; N111-S142 WeakPolarHBondContact OD1-CA 3.29Å; N111-S142 WeakPolarHBondContact OD1-CB 3.4Å; N111-S142 PolarHBondContact OD1-N 3.2Å; N111-S142 PolarHBondContact OD1-OG 2.73Å; A133-S142 WeakPolarHBondContact CB-OG 3.49Å; N139-S142 PolarHBondContact ND2-OG 3.05Å; N139-S142 PolarHBondContact OD1-N 3.37Å; N139-S142 PolarHBondContact OD1-OG 3.21Å; S142-N145 PolarHBondContact O-N 3.23Å; S142-L146 WeakPolarHBondContact O-CB 3.25Å; S142-L146 PolarHBondContact O-N 3.32Å
143L98.7Very high96.9Very high4 Ų442.1 Ų42.12%0.02120%0.199CC..Hα-helixtrans-61.2-46.6177.5-70.2171.6000112L134 K138 N139 V141 S147 L171 E174 A175 L178L134-L143 HydrophobicContact CD1-CD2 4.03Å; L134-L143 HydrophobicContact CD2-CD2 3.95Å; L134-L143 HydrophobicContact CD2-CG 3.97Å; K138-L143 HydrophobicContact CG-CD1 4.39Å; N139-L143 VanDerWaalsContact O-CG 3.3Å; N139-L143 WeakPolarHBondContact O-CG 3.26Å; N139-L143 PolarHBondContact O-N 2.67Å; V141-L143 VanDerWaalsContact C-N 3.34Å; V141-L143 PolarHBondContact O-N 2.95Å; L143-S147 VanDerWaalsContact O-CB 3.3Å; L143-S147 WeakPolarHBondContact O-CB 3.48Å; L143-S147 PolarHBondContact O-N 3.32Å; L143-L171 HydrophobicContact CD2-CD2 3.55Å; L143-E174 HydrophobicContact CD1-CB 3.87Å; L143-E174 HydrophobicContact CD2-CB 4.41Å; L143-A175 HydrophobicContact CB-CB 3.87Å; L143-A175 HydrophobicContact CD1-CB 4.47Å; L143-L178 HydrophobicContact CD1-CD1 3.62Å; L143-L178 HydrophobicContact CD1-CG 4.41Å
144R98.2Very high96.5Very high27 Ų2747.5 Ų47.510%0.10223%0.234CC..Hα-helixtrans-60.4-50.5176-76.7175.9-72.6-179.36.9111.6K140 V141 S147 M148 A175 D182 S185 I188K140-R144 WeakPolarHBondContact O-CB 3.48Å; K140-R144 VanDerWaalsContact O-CG 3.25Å; K140-R144 WeakPolarHBondContact O-CG 3.44Å; K140-R144 PolarHBondContact O-N 2.85Å; K140-R144 VanDerWaalsContact O-N 3.08Å; K140-R144 PolarHBondContact O-NE 3.27Å; V141-R144 PolarHBondContact O-N 2.93Å; R144-S147 VanDerWaalsContact O-CB 3.28Å; R144-S147 WeakPolarHBondContact O-CB 3.5Å; R144-S147 PolarHBondContact O-N 2.93Å; R144-M148 WeakPolarHBondContact O-CG 3.45Å; R144-M148 PolarHBondContact O-N 3.08Å; R144-A175 HydrophobicContact CG-CB 3.76Å; R144-D182 IonicContact CZ-OD2 3.35Å; R144-D182 IonicContact NE-OD2 3.75Å; R144-D182 IonicContact NH1-OD1 2.72Å; R144-D182 IonicContact NH1-OD2 3.98Å; R144-D182 PolarHBondContact NH1-OD2 3.02Å; R144-S185 VanDerWaalsContact CD-OG 3.28Å; R144-S185 WeakPolarHBondContact CD-OG 3.2Å; R144-I188 HydrophobicContact CB-CG1 4.24Å; R144-I188 HydrophobicContact CB-CG2 4.49Å; R144-I188 HydrophobicContact CG-CB 4.43Å; R144-I188 HydrophobicContact CG-CG1 4.24Å
145N98Very high96.1Very high33 Ų3347.3 Ų47.318%0.17624%0.235CC..Hα-helixtrans-71-37.3-173.5-62.9-1.6000111.2F130 V141 S142 S147 M148 V149F130-N145 HydrophobicContact CD1-CB 3.77Å; F130-N145 HydrophobicContact CD2-CB 3.76Å; F130-N145 HydrophobicContact CE1-CB 3.43Å; F130-N145 VanDerWaalsContact CE1-CB 3.43Å; F130-N145 VanDerWaalsContact CE1-ND2 3.29Å; F130-N145 WeakPolarHBondContact CE1-ND2 3.24Å; F130-N145 HydrophobicContact CE2-CB 3.42Å; F130-N145 VanDerWaalsContact CE2-CB 3.42Å; F130-N145 HydrophobicContact CG-CB 3.95Å; F130-N145 HydrophobicContact CZ-CB 3.27Å; V141-N145 VanDerWaalsContact O-CG 3.28Å; V141-N145 PolarHBondContact O-N 3.09Å; V141-N145 PolarHBondContact O-OD1 3.49Å; S142-N145 PolarHBondContact O-N 3.23Å; N145-S147 VanDerWaalsContact C-N 3.32Å; N145-S147 PolarHBondContact O-N 3.02Å; N145-M148 WeakPolarHBondContact O-CB 3.44Å; N145-M148 PolarHBondContact O-N 3.47Å; N145-V149 VanDerWaalsContact O-CG2 3.31Å; N145-V149 WeakPolarHBondContact O-CG2 3.46Å; N145-V149 PolarHBondContact O-N 2.92Å
146L98.2Very high95.5Very high9 Ų945.1 Ų45.15%0.04723%0.234CC..Hα-helixtrans-63-40.3171.9-174.659.4000111.4K127 F130 L134 S142 M148 V149 L150 L171K127-L146 HydrophobicContact CB-CD1 4.47Å; K127-L146 HydrophobicContact CG-CD1 3.83Å; F130-L146 HydrophobicContact CB-CB 4Å; F130-L146 HydrophobicContact CB-CD1 4.44Å; L134-L146 HydrophobicContact CD1-CD2 3.84Å; S142-L146 WeakPolarHBondContact O-CB 3.25Å; S142-L146 PolarHBondContact O-N 3.32Å; L146-M148 VanDerWaalsContact C-N 3.33Å; L146-M148 PolarHBondContact O-N 3.45Å; L146-V149 PolarHBondContact O-N 2.91Å; L146-L150 HydrophobicContact CD1-CG 4.31Å; L146-L150 HydrophobicContact CG-CD1 4.25Å; L146-L150 HydrophobicContact CG-CG 4.45Å; L146-L150 VanDerWaalsContact O-CG 3.29Å; L146-L150 WeakPolarHBondContact O-CG 3.48Å; L146-L150 PolarHBondContact O-N 2.72Å; L146-L171 HydrophobicContact CB-CD1 4.16Å; L146-L171 HydrophobicContact CD2-CD1 3.73Å; L146-L171 HydrophobicContact CD2-CD2 4.21Å; L146-L171 HydrophobicContact CG-CD1 3.65Å
147S98.3Very high95.2Very high0 Ų044.4 Ų44.40%023%0.233CC..Hα-helixtrans-57.1-44.8172.3173.10000111.7L143 R144 N145 R151 S168L143-S147 VanDerWaalsContact O-CB 3.3Å; L143-S147 WeakPolarHBondContact O-CB 3.48Å; L143-S147 PolarHBondContact O-N 3.32Å; R144-S147 VanDerWaalsContact O-CB 3.28Å; R144-S147 WeakPolarHBondContact O-CB 3.5Å; R144-S147 PolarHBondContact O-N 2.93Å; N145-S147 VanDerWaalsContact C-N 3.32Å; N145-S147 PolarHBondContact O-N 3.02Å; S147-R151 WeakPolarHBondContact O-CG 3.44Å; S147-R151 PolarHBondContact O-NH1 2.95Å; S147-R151 PolarHBondContact OG-NH1 3.46Å; S147-S168 WeakPolarHBondContact CB-O 3.24Å; S147-S168 WeakPolarHBondContact O-CB 3.22Å; S147-S168 PolarHBondContact O-OG 3.13Å; S147-S168 PolarHBondContact OG-O 3.28Å; S147-S168 PolarHBondContact OG-OG 2.91Å
148M97Very high94.6Very high46 Ų4646.2 Ų46.223%0.22724%0.239CC..Hα-helixtrans-61.6-49.8175.4-66.7170.266.100111.8W118 R144 N145 L146 L150 R151 I188W118-M148 HydrophobicContact CH2-CB 4.39Å; W118-M148 HydrophobicContact CZ2-CE 4.33Å; R144-M148 WeakPolarHBondContact O-CG 3.45Å; R144-M148 PolarHBondContact O-N 3.08Å; N145-M148 WeakPolarHBondContact O-CB 3.44Å; N145-M148 PolarHBondContact O-N 3.47Å; L146-M148 VanDerWaalsContact C-N 3.33Å; L146-M148 PolarHBondContact O-N 3.45Å; M148-L150 PolarHBondContact O-N 3.02Å; M148-R151 PolarHBondContact O-N 3.45Å; M148-I188 HydrophobicContact CE-CD1 4.47Å; M148-I188 HydrophobicContact CG-CD1 3.7Å; M148-I188 HydrophobicContact CG-CG1 4.38Å; M148-I188 HydrophobicContact CG-CG2 4.18Å; M148-I188 HydrophobicContact SD-CD1 3.53Å; M148-I188 VanDerWaalsContact SD-CD1 3.53Å; M148-I188 HydrophobicContact SD-CG1 4.28Å
149V97Very high94.1Very high1 Ų146.7 Ų46.71%0.00625%0.247CC..Hα-helixtrans-58.9-46.7-177.4174.30000112W118 L123 S126 K127 F130 N145 L146 R151 Q152 L153W118-V149 HydrophobicContact CE3-CG2 3.66Å; W118-V149 HydrophobicContact CZ3-CB 4.25Å; W118-V149 HydrophobicContact CZ3-CG2 3.72Å; L123-V149 HydrophobicContact CB-CG1 4.5Å; L123-V149 WeakPolarHBondContact O-CG1 3.35Å; S126-V149 WeakPolarHBondContact OG-CG2 3.41Å; K127-V149 HydrophobicContact CB-CG1 3.85Å; F130-V149 HydrophobicContact CD2-CG2 3.95Å; F130-V149 HydrophobicContact CE2-CG2 3.71Å; N145-V149 VanDerWaalsContact O-CG2 3.31Å; N145-V149 WeakPolarHBondContact O-CG2 3.46Å; N145-V149 PolarHBondContact O-N 2.92Å; L146-V149 PolarHBondContact O-N 2.91Å; V149-R151 PolarHBondContact O-N 3.34Å; V149-Q152 PolarHBondContact O-N 3.01Å; V149-L153 HydrophobicContact CG1-CD1 4.13Å; V149-L153 HydrophobicContact CG1-CD2 4.23Å; V149-L153 HydrophobicContact CG1-CG 3.93Å; V149-L153 WeakPolarHBondContact O-CG 3.33Å; V149-L153 PolarHBondContact O-N 3.34Å
150L96.4Very high93.7Very high0 Ų049.7 Ų49.70%026%0.261CS..Hα-helixtrans-57.5-35.2-178.2-73.2172.7000113.1K127 L146 M148 Q152 L153 H164 E167 L171K127-L150 HydrophobicContact CD-CD2 4.36Å; L146-L150 HydrophobicContact CD1-CG 4.31Å; L146-L150 HydrophobicContact CG-CD1 4.25Å; L146-L150 HydrophobicContact CG-CG 4.45Å; L146-L150 VanDerWaalsContact O-CG 3.29Å; L146-L150 WeakPolarHBondContact O-CG 3.48Å; L146-L150 PolarHBondContact O-N 2.72Å; M148-L150 PolarHBondContact O-N 3.02Å; L150-Q152 VanDerWaalsContact C-N 3.32Å; L150-Q152 PolarHBondContact O-N 3.06Å; L150-L153 HydrophobicContact CD2-CD1 3.91Å; L150-H164 HydrophobicContact CB-CB 4.24Å; L150-H164 WeakPolarHBondContact O-CB 3.3Å; L150-E167 HydrophobicContact CD1-CB 4.05Å; L150-E167 HydrophobicContact CD1-CG 3.65Å; L150-L171 HydrophobicContact CD1-CD1 3.44Å; L150-L171 VanDerWaalsContact CD1-CD1 3.44Å
151R94.6Very high93.4Very high24 Ų2449.6 Ų49.69%0.09126%0.261CS..Hα-helixtrans-74.7-22.5179.6-57.3-167.5-52.9-87.8-5.7113.4S147 M148 V149 H161 S168 N191 S195S147-R151 WeakPolarHBondContact O-CG 3.44Å; S147-R151 PolarHBondContact O-NH1 2.95Å; S147-R151 PolarHBondContact OG-NH1 3.46Å; M148-R151 PolarHBondContact O-N 3.45Å; V149-R151 PolarHBondContact O-N 3.34Å; R151-H161 PolarHBondContact O-CE1 3.14Å; R151-S168 WeakPolarHBondContact CD-OG 3.48Å; R151-S168 WeakPolarHBondContact CG-OG 3.3Å; R151-S168 PolarHBondContact NH1-OG 3.48Å; R151-N191 VanDerWaalsContact NH2-CB 3.32Å; R151-S195 VanDerWaalsContact CD-OG 3.3Å; R151-S195 WeakPolarHBondContact CD-OG 3.2Å; R151-S195 PolarHBondContact NE-OG 3.36Å
152Q92.9Very high93.1Very high83 Ų8347.6 Ų47.639%0.38825%0.251SS..Hα-helixtrans-101.2-12179.5-65.9-160.96.400113.8W118 L123 V149 L150W118-Q152 HydrophobicContact CH2-CB 4.01Å; W118-Q152 HydrophobicContact CH2-CG 3.77Å; W118-Q152 HydrophobicContact CZ3-CB 4.21Å; W118-Q152 HydrophobicContact CZ3-CG 4.47Å; L123-Q152 HydrophobicContact CD1-CB 4.04Å; L123-Q152 WeakPolarHBondContact CD1-O 3.47Å; V149-Q152 PolarHBondContact O-N 3.01Å; L150-Q152 VanDerWaalsContact C-N 3.32Å; L150-Q152 PolarHBondContact O-N 3.06Å
153L91.9Very high92.9Very high15 Ų1554.4 Ų54.48%0.07928%0.28CS..SBendtrans-57.6130178.9-82.8169.1000111.7L123 V124 K127 V149 L150 T155L123-L153 HydrophobicContact CB-CD2 3.69Å; V124-L153 HydrophobicContact CG2-CD2 4.42Å; K127-L153 HydrophobicContact CD-CD1 3.74Å; V149-L153 HydrophobicContact CG1-CD1 4.13Å; V149-L153 HydrophobicContact CG1-CD2 4.23Å; V149-L153 HydrophobicContact CG1-CG 3.93Å; V149-L153 WeakPolarHBondContact O-CG 3.33Å; V149-L153 PolarHBondContact O-N 3.34Å; L150-L153 HydrophobicContact CD2-CD1 3.91Å; L153-T155 PolarHBondContact O-N 3.46Å
154P88.9Confident92.7Very high112 Ų11256 Ų5673%0.72729%0.287SS*.  trans-59.9131.9170.8-22.332.8000110.2
155T88.3Confident92.6Very high39 Ų3954.7 Ų54.724%0.23928%0.282CS..  trans-127.3144.9177.557.50000110.8L153 N157 Q160 H161 H164L153-T155 PolarHBondContact O-N 3.46Å; T155-N157 VanDerWaalsContact C-N 3.26Å; T155-N157 PolarHBondContact O-N 3.32Å; T155-N157 PolarHBondContact OG1-O 2.95Å; T155-Q160 HydrophobicContact CG2-CB 4.29Å; T155-H161 HydrophobicContact CG2-CB 4.33Å; T155-H161 WeakPolarHBondContact OG1-CB 3.37Å; T155-H164 VanDerWaalsContact CG2-ND1 3.32Å; T155-H164 WeakPolarHBondContact CG2-ND1 3.3Å
156P85.9Confident92.5Very high108 Ų10857.3 Ų57.370%0.70130%0.296SS*.SBendtrans-68.8-21.9-178.929.2-36.9000113.6
157N88.5Confident92.5Very high71 Ų7160.9 Ų60.938%0.3831%0.312SS..SBendtrans-152.3165.6179.66251.6000112.3T155 D159 Q160 H161T155-N157 VanDerWaalsContact C-N 3.26Å; T155-N157 PolarHBondContact O-N 3.32Å; T155-N157 PolarHBondContact OG1-O 2.95Å; N157-D159 VanDerWaalsContact C-N 3.3Å; N157-D159 PolarHBondContact O-N 3.21Å; N157-D159 PolarHBondContact OD1-N 3.49Å; N157-Q160 PolarHBondContact O-N 2.91Å; N157-Q160 WeakPolarHBondContact OD1-CG 3.34Å; N157-Q160 PolarHBondContact OD1-N 3.01Å; N157-H161 PolarHBondContact O-N 2.72Å
158K84.4Confident92.5Very high156 Ų15660.9 Ų60.968%0.67831%0.312SS*.Hα-helixtrans-63.9-31.6-178.2-69-171.5176-173.80113.5H161 G162K158-H161 WeakPolarHBondContact O-CB 3.35Å; K158-H161 PolarHBondContact O-N 3.24Å; K158-G162 PolarHBondContact O-N 3.28Å
159D87.6Confident92.5Very high124 Ų12458.8 Ų58.866%0.66330%0.302SS*.Hα-helixtrans-68-42.2-179.1-62.4-19.7000111.3N157 G162 K163N157-D159 VanDerWaalsContact C-N 3.3Å; N157-D159 PolarHBondContact O-N 3.21Å; N157-D159 PolarHBondContact OD1-N 3.49Å; D159-G162 PolarHBondContact O-N 3.05Å; D159-K163 WeakPolarHBondContact O-CG 3.5Å; D159-K163 PolarHBondContact O-N 2.9Å; D159-K163 VanDerWaalsContact O-N 3.08Å
160Q89.8Confident92.6Very high83 Ų8362.6 Ų62.639%0.38832%0.323SS..Hα-helixtrans-66.3-40.3173.9-72.1-173.212.900111.5T155 N157 G162 K163 H164T155-Q160 HydrophobicContact CG2-CB 4.29Å; N157-Q160 PolarHBondContact O-N 2.91Å; N157-Q160 WeakPolarHBondContact OD1-CG 3.34Å; N157-Q160 PolarHBondContact OD1-N 3.01Å; Q160-G162 VanDerWaalsContact C-N 3.34Å; Q160-G162 PolarHBondContact O-N 3.46Å; Q160-K163 PolarHBondContact O-N 3.37Å; Q160-H164 PolarHBondContact O-N 3.39Å
161H90.6Very high92.7Very high56 Ų5663.4 Ų63.426%0.25933%0.327SS..Hα-helixtrans-58.5-46.5173-171.655.7000111.7R151 T155 N157 K158 K163 H164 V165 N199R151-H161 PolarHBondContact O-CE1 3.14Å; T155-H161 HydrophobicContact CG2-CB 4.33Å; T155-H161 WeakPolarHBondContact OG1-CB 3.37Å; N157-H161 PolarHBondContact O-N 2.72Å; K158-H161 WeakPolarHBondContact O-CB 3.35Å; K158-H161 PolarHBondContact O-N 3.24Å; H161-K163 VanDerWaalsContact C-N 3.3Å; H161-K163 PolarHBondContact O-N 2.89Å; H161-H164 PolarHBondContact O-N 3.03Å; H161-H164 VanDerWaalsContact O-N 3.17Å; H161-V165 WeakPolarHBondContact O-CG2 3.4Å; H161-V165 PolarHBondContact O-N 2.76Å; H161-N199 PolarHBondContact CD2-ND2 3.35Å; H161-N199 VanDerWaalsContact CD2-ND2 3.27Å
162G91.4Very high92.9Very high9 Ų962.3 Ų62.39%0.09332%0.323CS..Hα-helixtrans-59.6-38.1177.200000113.1K158 D159 Q160 V165 L166 N199K158-G162 PolarHBondContact O-N 3.28Å; D159-G162 PolarHBondContact O-N 3.05Å; Q160-G162 VanDerWaalsContact C-N 3.34Å; Q160-G162 PolarHBondContact O-N 3.46Å; G162-V165 PolarHBondContact O-N 3.16Å; G162-L166 WeakPolarHBondContact O-CG 3.26Å; G162-L166 PolarHBondContact O-N 3.15Å; G162-N199 WeakPolarHBondContact CA-OD1 3.37Å
163K94.2Very high93.2Very high143 Ų14362.3 Ų62.362%0.62232%0.319SS*.Hα-helixtrans-63.2-46173.4-71176.4-177.2-178.30112.3D159 Q160 H161 V165 L166 E167D159-K163 WeakPolarHBondContact O-CG 3.5Å; D159-K163 PolarHBondContact O-N 2.9Å; D159-K163 VanDerWaalsContact O-N 3.08Å; Q160-K163 PolarHBondContact O-N 3.37Å; H161-K163 VanDerWaalsContact C-N 3.3Å; H161-K163 PolarHBondContact O-N 2.89Å; K163-V165 VanDerWaalsContact C-N 3.28Å; K163-V165 PolarHBondContact O-N 2.93Å; K163-L166 PolarHBondContact O-N 3.43Å; K163-E167 PolarHBondContact O-N 2.95Å
164H95.2Very high93.5Very high36 Ų3664.5 Ų64.517%0.16733%0.329CS..Hα-helixtrans-61.9-37.3175.7-70.2169.9000112.2L150 T155 Q160 H161 E167 S168L150-H164 HydrophobicContact CB-CB 4.24Å; L150-H164 WeakPolarHBondContact O-CB 3.3Å; T155-H164 VanDerWaalsContact CG2-ND1 3.32Å; T155-H164 WeakPolarHBondContact CG2-ND1 3.3Å; Q160-H164 PolarHBondContact O-N 3.39Å; H161-H164 PolarHBondContact O-N 3.03Å; H161-H164 VanDerWaalsContact O-N 3.17Å; H164-E167 PolarHBondContact O-N 3.37Å; H164-S168 WeakPolarHBondContact O-CB 3.14Å; H164-S168 PolarHBondContact O-N 3.47Å
165V95.4Very high94Very high0 Ų059.1 Ų59.10%029%0.294CS..Hα-helixtrans-65.8-41.1176.5172.20000111.4H161 G162 K163 S168 V169 L196 N199H161-V165 WeakPolarHBondContact O-CG2 3.4Å; H161-V165 PolarHBondContact O-N 2.76Å; G162-V165 PolarHBondContact O-N 3.16Å; K163-V165 VanDerWaalsContact C-N 3.28Å; K163-V165 PolarHBondContact O-N 2.93Å; V165-S168 WeakPolarHBondContact O-CB 3.14Å; V165-S168 PolarHBondContact O-N 2.98Å; V165-V169 WeakPolarHBondContact O-CG2 3.47Å; V165-V169 PolarHBondContact O-N 3.38Å; V165-V169 VanDerWaalsContact O-N 3.15Å; V165-L196 VanDerWaalsContact CG1-CA 3.48Å; V165-L196 HydrophobicContact CG1-CB 3.89Å; V165-L196 HydrophobicContact CG1-CD1 4.04Å; V165-N199 HydrophobicContact CG1-CB 4.43Å
166L96.3Very high94.5Very high89 Ų8957.8 Ų57.847%0.46629%0.286SS..Hα-helixtrans-63.5-48.4174.6-72.5167.4000111.8G162 K163 S168 V169 D170 L196G162-L166 WeakPolarHBondContact O-CG 3.26Å; G162-L166 PolarHBondContact O-N 3.15Å; K163-L166 PolarHBondContact O-N 3.43Å; L166-S168 VanDerWaalsContact C-N 3.26Å; L166-S168 PolarHBondContact O-N 3.46Å; L166-V169 WeakPolarHBondContact O-CB 3.36Å; L166-V169 PolarHBondContact O-N 2.96Å; L166-V169 VanDerWaalsContact O-N 3.1Å; L166-D170 PolarHBondContact O-N 2.93Å; L166-D170 VanDerWaalsContact O-N 3.16Å; L166-L196 HydrophobicContact CD2-CD1 3.63Å; L166-L196 HydrophobicContact CG-CD1 4.25Å
167E97.8Very high95.1Very high83 Ų8359.4 Ų59.439%0.38828%0.284SS..Hα-helixtrans-59.1-39.4176.3-173.5-178177.300111.5L150 K163 H164 V169 D170 L171L150-E167 HydrophobicContact CD1-CB 4.05Å; L150-E167 HydrophobicContact CD1-CG 3.65Å; K163-E167 PolarHBondContact O-N 2.95Å; H164-E167 PolarHBondContact O-N 3.37Å; E167-V169 VanDerWaalsContact C-N 3.32Å; E167-V169 PolarHBondContact O-N 3.21Å; E167-D170 PolarHBondContact O-N 2.92Å; E167-L171 HydrophobicContact CG-CD1 4.18Å; E167-L171 WeakPolarHBondContact O-CG 3.48Å; E167-L171 PolarHBondContact O-N 3.4Å
168S98.2Very high95.5Very high0 Ų060.1 Ų60.10%029%0.287CS..Hα-helixtrans-59.9-39.5175.2177.50000113S147 R151 H164 V165 L166 A172S147-S168 WeakPolarHBondContact CB-O 3.24Å; S147-S168 WeakPolarHBondContact O-CB 3.22Å; S147-S168 PolarHBondContact O-OG 3.13Å; S147-S168 PolarHBondContact OG-O 3.28Å; S147-S168 PolarHBondContact OG-OG 2.91Å; R151-S168 WeakPolarHBondContact CD-OG 3.48Å; R151-S168 WeakPolarHBondContact CG-OG 3.3Å; R151-S168 PolarHBondContact NH1-OG 3.48Å; H164-S168 WeakPolarHBondContact O-CB 3.14Å; H164-S168 PolarHBondContact O-N 3.47Å; V165-S168 WeakPolarHBondContact O-CB 3.14Å; V165-S168 PolarHBondContact O-N 2.98Å; L166-S168 VanDerWaalsContact C-N 3.26Å; L166-S168 PolarHBondContact O-N 3.46Å; S168-A172 WeakPolarHBondContact O-CB 3.13Å; S168-A172 PolarHBondContact O-N 3.37Å
169V98.3Very high96.2Very high3 Ų355.3 Ų55.32%0.01827%0.269CS..Hα-helixtrans-65.8-43.1175.9170.50000110.8V165 L166 E167 A172 R173 A192 Y193 L196V165-V169 WeakPolarHBondContact O-CG2 3.47Å; V165-V169 PolarHBondContact O-N 3.38Å; V165-V169 VanDerWaalsContact O-N 3.15Å; L166-V169 WeakPolarHBondContact O-CB 3.36Å; L166-V169 PolarHBondContact O-N 2.96Å; L166-V169 VanDerWaalsContact O-N 3.1Å; E167-V169 VanDerWaalsContact C-N 3.32Å; E167-V169 PolarHBondContact O-N 3.21Å; V169-A172 PolarHBondContact O-N 2.91Å; V169-R173 WeakPolarHBondContact O-CG 3.18Å; V169-R173 PolarHBondContact O-N 3.1Å; V169-A192 HydrophobicContact CB-CB 4.4Å; V169-A192 HydrophobicContact CG2-CB 3.7Å; V169-Y193 HydrophobicContact CG1-CD1 4.15Å; V169-Y193 HydrophobicContact CG1-CE1 3.68Å; V169-Y193 HydrophobicContact CG2-CD1 4.38Å; V169-L196 HydrophobicContact CG2-CB 4.17Å; V169-L196 HydrophobicContact CG2-CD2 4.17Å
170D98.5Very high96.6Very high80 Ų8053.6 Ų53.643%0.42827%0.265SS..Hα-helixtrans-64.9-46.1-179.8-68.7-26.9000111.3L166 E167 A172 R173 E174L166-D170 PolarHBondContact O-N 2.93Å; L166-D170 VanDerWaalsContact O-N 3.16Å; E167-D170 PolarHBondContact O-N 2.92Å; D170-A172 PolarHBondContact O-N 3.48Å; D170-R173 WeakPolarHBondContact O-CB 3.4Å; D170-R173 PolarHBondContact O-N 3.03Å; D170-R173 IonicContact OD1-NH1 3.18Å; D170-R173 PolarHBondContact OD1-NH1 3.43Å; D170-E174 WeakPolarHBondContact O-CG 3.5Å; D170-E174 PolarHBondContact O-N 3.32Å
171L98.7Very high96.9Very high18 Ų1852.2 Ų52.29%0.09427%0.273CS..Hα-helixtrans-60.6-41.9175.3-69.1166.8000112.7L143 L146 L150 E167 E174 A175L143-L171 HydrophobicContact CD2-CD2 3.55Å; L146-L171 HydrophobicContact CB-CD1 4.16Å; L146-L171 HydrophobicContact CD2-CD1 3.73Å; L146-L171 HydrophobicContact CD2-CD2 4.21Å; L146-L171 HydrophobicContact CG-CD1 3.65Å; L150-L171 HydrophobicContact CD1-CD1 3.44Å; L150-L171 VanDerWaalsContact CD1-CD1 3.44Å; E167-L171 HydrophobicContact CG-CD1 4.18Å; E167-L171 WeakPolarHBondContact O-CG 3.48Å; E167-L171 PolarHBondContact O-N 3.4Å; L171-E174 PolarHBondContact O-N 2.97Å; L171-A175 PolarHBondContact O-N 3.32Å
172A98.6Very high97.2Very high0 Ų050.4 Ų50.40%027%0.266CS..Hα-helixtrans-66.2-37.4177.200000112.2S168 V169 D170 A175 V176 I188 L189 A192S168-A172 WeakPolarHBondContact O-CB 3.13Å; S168-A172 PolarHBondContact O-N 3.37Å; V169-A172 PolarHBondContact O-N 2.91Å; D170-A172 PolarHBondContact O-N 3.48Å; A172-A175 PolarHBondContact O-N 3.41Å; A172-V176 WeakPolarHBondContact O-CG2 3.46Å; A172-V176 PolarHBondContact O-N 2.55Å; A172-V176 VanDerWaalsContact O-N 3.13Å; A172-I188 HydrophobicContact CB-CG2 4.19Å; A172-L189 HydrophobicContact CB-CB 4.02Å; A172-L189 HydrophobicContact CB-CD1 3.87Å; A172-A192 HydrophobicContact CB-CB 4.22Å
173R98.7Very high97.5Very high84 Ų8450 Ų5032%0.31726%0.262SS..Hα-helixtrans-63.5-43172.9-75.2173.3179158.2-3.8111.2V169 D170 A175 V176 Q177 L189 Y193V169-R173 WeakPolarHBondContact O-CG 3.18Å; V169-R173 PolarHBondContact O-N 3.1Å; D170-R173 WeakPolarHBondContact O-CB 3.4Å; D170-R173 PolarHBondContact O-N 3.03Å; D170-R173 IonicContact OD1-NH1 3.18Å; D170-R173 PolarHBondContact OD1-NH1 3.43Å; R173-A175 VanDerWaalsContact C-N 3.32Å; R173-A175 PolarHBondContact O-N 3.5Å; R173-V176 PolarHBondContact O-N 3.2Å; R173-Q177 VanDerWaalsContact O-CG 3.3Å; R173-Q177 WeakPolarHBondContact O-CG 3.3Å; R173-Q177 PolarHBondContact O-N 3.16Å; R173-L189 HydrophobicContact CG-CD1 3.67Å; R173-L189 HydrophobicContact CG-CD2 4.31Å; R173-Y193 PolarHBondContact NE-OH 2.96Å; R173-Y193 PolarHBondContact NH2-OH 3.41Å
174E98.6Very high97.7Very high60 Ų6045.3 Ų45.328%0.2825%0.245SC..Hα-helixtrans-62.4-40176.7-71.5-174.6-125.100111.7K138 L143 D170 L171 V176 Q177 L178K138-E174 WeakPolarHBondContact CE-OE2 3.4Å; K138-E174 IonicContact NZ-OE2 2.68Å; K138-E174 PolarHBondContact NZ-OE2 3.23Å; L143-E174 HydrophobicContact CD1-CB 3.87Å; L143-E174 HydrophobicContact CD2-CB 4.41Å; D170-E174 WeakPolarHBondContact O-CG 3.5Å; D170-E174 PolarHBondContact O-N 3.32Å; L171-E174 PolarHBondContact O-N 2.97Å; E174-V176 PolarHBondContact O-N 3.3Å; E174-Q177 WeakPolarHBondContact O-CB 3.3Å; E174-Q177 PolarHBondContact O-N 3.31Å; E174-Q177 VanDerWaalsContact O-N 3.16Å; E174-L178 WeakPolarHBondContact O-CG 3.26Å; E174-L178 PolarHBondContact O-N 3.27Å
175A98.6Very high97.8Very high0 Ų043.6 Ų43.60%024%0.237CC..Hα-helixtrans-59.4-45.4174.500000112.2K140 L143 R144 L171 A172 R173 Q177 L178 D179K140-A175 HydrophobicContact CB-CB 4.44Å; L143-A175 HydrophobicContact CB-CB 3.87Å; L143-A175 HydrophobicContact CD1-CB 4.47Å; R144-A175 HydrophobicContact CG-CB 3.76Å; L171-A175 PolarHBondContact O-N 3.32Å; A172-A175 PolarHBondContact O-N 3.41Å; R173-A175 VanDerWaalsContact C-N 3.32Å; R173-A175 PolarHBondContact O-N 3.5Å; A175-Q177 VanDerWaalsContact C-N 3.31Å; A175-Q177 PolarHBondContact O-N 3.01Å; A175-L178 PolarHBondContact O-N 3.29Å; A175-D179 PolarHBondContact O-N 3.16Å
176V98.6Very high98Very high11 Ų1145.4 Ų45.47%0.06724%0.244CC..Hα-helixtrans-64.1-34.7174.8168.50000112.1A172 R173 E174 L178 D179 P180 W186 L189A172-V176 WeakPolarHBondContact O-CG2 3.46Å; A172-V176 PolarHBondContact O-N 2.55Å; A172-V176 VanDerWaalsContact O-N 3.13Å; R173-V176 PolarHBondContact O-N 3.2Å; E174-V176 PolarHBondContact O-N 3.3Å; V176-L178 VanDerWaalsContact C-N 3.33Å; V176-D179 CarbonylContact O-C 3.02Å; V176-D179 PolarHBondContact O-N 3.48Å; V176-P180 VanDerWaalsContact O-CA 3.31Å; V176-P180 WeakPolarHBondContact O-CA 3.36Å; V176-P180 WeakPolarHBondContact O-CD 3.36Å; V176-W186 HydrophobicContact CG1-CD2 4.03Å; V176-W186 HydrophobicContact CG1-CE3 4.26Å; V176-W186 HydrophobicContact CG1-CH2 3.52Å; V176-W186 HydrophobicContact CG1-CZ2 3.27Å; V176-W186 HydrophobicContact CG1-CZ3 4.03Å; V176-W186 HydrophobicContact CG2-CD2 4.07Å; V176-W186 HydrophobicContact CG2-CE3 4.24Å; V176-W186 HydrophobicContact CG2-CG 4.35Å; V176-L189 HydrophobicContact CG2-CB 4.25Å; V176-L189 HydrophobicContact CG2-CD2 4.03Å
177Q98.4Very high98.1Very high141 Ų14141.4 Ų41.466%0.65922%0.223SC*.Hα-helixtrans-67.6-33.7176.9-74.317010.300112.4R173 E174 A175R173-Q177 VanDerWaalsContact O-CG 3.3Å; R173-Q177 WeakPolarHBondContact O-CG 3.3Å; R173-Q177 PolarHBondContact O-N 3.16Å; E174-Q177 WeakPolarHBondContact O-CB 3.3Å; E174-Q177 PolarHBondContact O-N 3.31Å; E174-Q177 VanDerWaalsContact O-N 3.16Å; A175-Q177 VanDerWaalsContact C-N 3.31Å; A175-Q177 PolarHBondContact O-N 3.01Å
178L98.3Very high98.1Very high86 Ų8638 Ų3845%0.4521%0.208SC..Hα-helixtrans-68.9-34.9175.3-67.4-178.1000112.2K138 K140 L143 E174 A175 V176K138-L178 HydrophobicContact CG-CD1 4.32Å; K140-L178 HydrophobicContact CB-CB 4.36Å; K140-L178 HydrophobicContact CB-CD1 4.27Å; L143-L178 HydrophobicContact CD1-CD1 3.62Å; L143-L178 HydrophobicContact CD1-CG 4.41Å; E174-L178 WeakPolarHBondContact O-CG 3.26Å; E174-L178 PolarHBondContact O-N 3.27Å; A175-L178 PolarHBondContact O-N 3.29Å; V176-L178 VanDerWaalsContact C-N 3.33Å
179D97.5Very high98.1Very high55 Ų5538.4 Ų38.429%0.29421%0.209SC..  trans-147.193.4176.6-174.6-3.8000111.4K140 A175 V176 G181 D182K140-D179 HydrophobicContact CD-CB 3.81Å; K140-D179 IonicContact NZ-OD2 3.35Å; K140-D179 PolarHBondContact NZ-OD2 3.18Å; A175-D179 PolarHBondContact O-N 3.16Å; V176-D179 CarbonylContact O-C 3.02Å; V176-D179 PolarHBondContact O-N 3.48Å; D179-G181 PolarHBondContact O-N 2.9Å; D179-G181 PolarHBondContact OD1-N 3.38Å; D179-D182 HydrophobicContact CB-CB 4.03Å; D179-D182 WeakPolarHBondContact O-CB 3.2Å; D179-D182 PolarHBondContact O-N 3.23Å; D179-D182 PolarHBondContact OD1-N 3.05Å
180P97.4Very high98.1Very high88 Ų8838.2 Ų38.257%0.57121%0.208SC*.THydrogen-bonded Turntrans-66.8-13.8179.7-23.634.7000114.5V176 W186V176-P180 VanDerWaalsContact O-CA 3.31Å; V176-P180 WeakPolarHBondContact O-CA 3.36Å; V176-P180 WeakPolarHBondContact O-CD 3.36Å; P180-W186 PolarHBondContact O-NE1 2.85Å
181G96.4Very high98.1Very high55 Ų5534.8 Ų34.857%0.56719%0.19SC*.THydrogen-bonded Turntrans-88.2-11.1177.600000113.8D179 G183D179-G181 PolarHBondContact O-N 2.9Å; D179-G181 PolarHBondContact OD1-N 3.38Å; G181-G183 PolarHBondContact O-N 3.18Å
182D96.8Very high98Very high18 Ų1833.9 Ų33.910%0.09619%0.185CC..  trans-77104-176.9-178.23.6000112K140 R144 D179 T184 S185 W186K140-D182 WeakPolarHBondContact CD-OD2 3.48Å; K140-D182 IonicContact NZ-OD2 2.66Å; K140-D182 PolarHBondContact NZ-OD2 3.47Å; R144-D182 IonicContact CZ-OD2 3.35Å; R144-D182 IonicContact NE-OD2 3.75Å; R144-D182 IonicContact NH1-OD1 2.72Å; R144-D182 IonicContact NH1-OD2 3.98Å; R144-D182 PolarHBondContact NH1-OD2 3.02Å; D179-D182 HydrophobicContact CB-CB 4.03Å; D179-D182 WeakPolarHBondContact O-CB 3.2Å; D179-D182 PolarHBondContact O-N 3.23Å; D179-D182 PolarHBondContact OD1-N 3.05Å; D182-T184 VanDerWaalsContact C-N 3.27Å; D182-T184 PolarHBondContact O-N 3Å; D182-T184 WeakPolarHBondContact OD1-CB 3.36Å; D182-T184 PolarHBondContact OD1-N 3.19Å; D182-T184 VanDerWaalsContact OD1-N 3.08Å; D182-S185 VanDerWaalsContact CG-OG 3.31Å; D182-S185 WeakPolarHBondContact O-CB 3.37Å; D182-S185 PolarHBondContact O-N 3.4Å; D182-S185 VanDerWaalsContact O-N 3.14Å; D182-S185 PolarHBondContact OD1-N 3.3Å; D182-S185 PolarHBondContact OD2-OG 3.48Å; D182-W186 PolarHBondContact O-N 3.11Å
183G97.3Very high98Very high1 Ų134.9 Ų34.91%0.0119%0.189CC..Hα-helixtrans-57.1-38.3177.800000113.3G181 S185 W186 C187 S217G181-G183 PolarHBondContact O-N 3.18Å; G183-S185 PolarHBondContact O-N 2.85Å; G183-W186 WeakPolarHBondContact O-CB 3.46Å; G183-W186 PolarHBondContact O-N 3.42Å; G183-C187 PolarHBondContact O-N 3.15Å; G183-S217 WeakPolarHBondContact O-CB 3.36Å; G183-S217 PolarHBondContact O-OG 2.89Å
184T97.3Very high97.8Very high43 Ų4330.9 Ų30.926%0.26417%0.174SC..Hα-helixtrans-64.3-40.9177.7-54.80000111.2D182 W186 C187 I188 M226D182-T184 VanDerWaalsContact C-N 3.27Å; D182-T184 PolarHBondContact O-N 3Å; D182-T184 WeakPolarHBondContact OD1-CB 3.36Å; D182-T184 PolarHBondContact OD1-N 3.19Å; D182-T184 VanDerWaalsContact OD1-N 3.08Å; T184-W186 VanDerWaalsContact C-N 3.32Å; T184-W186 PolarHBondContact O-N 2.88Å; T184-C187 WeakPolarHBondContact O-CB 3.43Å; T184-C187 PolarHBondContact O-N 2.99Å; T184-C187 VanDerWaalsContact O-N 3.16Å; T184-I188 WeakPolarHBondContact O-CG1 3.27Å; T184-I188 PolarHBondContact O-N 3.2Å; T184-M226 HydrophobicContact CG2-SD 4.47Å
185S98.4Very high97.6Very high0 Ų028.3 Ų28.30%016%0.163CC..Hα-helixtrans-60.5-41.8174.8-69.80000111.8R144 D182 G183 I188 L189R144-S185 VanDerWaalsContact CD-OG 3.28Å; R144-S185 WeakPolarHBondContact CD-OG 3.2Å; D182-S185 VanDerWaalsContact CG-OG 3.31Å; D182-S185 WeakPolarHBondContact O-CB 3.37Å; D182-S185 PolarHBondContact O-N 3.4Å; D182-S185 VanDerWaalsContact O-N 3.14Å; D182-S185 PolarHBondContact OD1-N 3.3Å; D182-S185 PolarHBondContact OD2-OG 3.48Å; G183-S185 PolarHBondContact O-N 2.85Å; S185-I188 PolarHBondContact O-N 3.46Å; S185-L189 PolarHBondContact O-N 3.2Å
186W98.6Very high97.4Very high39 Ų3928.5 Ų28.515%0.14816%0.164CC..Hα-helixtrans-65.1-37.3173.5-77.1109.4000113.2V176 P180 D182 G183 T184 L189 G190 A213 K216V176-W186 HydrophobicContact CG1-CD2 4.03Å; V176-W186 HydrophobicContact CG1-CE3 4.26Å; V176-W186 HydrophobicContact CG1-CH2 3.52Å; V176-W186 HydrophobicContact CG1-CZ2 3.27Å; V176-W186 HydrophobicContact CG1-CZ3 4.03Å; V176-W186 HydrophobicContact CG2-CD2 4.07Å; V176-W186 HydrophobicContact CG2-CE3 4.24Å; V176-W186 HydrophobicContact CG2-CG 4.35Å; P180-W186 PolarHBondContact O-NE1 2.85Å; D182-W186 PolarHBondContact O-N 3.11Å; G183-W186 WeakPolarHBondContact O-CB 3.46Å; G183-W186 PolarHBondContact O-N 3.42Å; T184-W186 VanDerWaalsContact C-N 3.32Å; T184-W186 PolarHBondContact O-N 2.88Å; W186-L189 HydrophobicContact CE3-CD2 3.93Å; W186-L189 HydrophobicContact CZ3-CD2 3.74Å; W186-L189 PolarHBondContact O-N 3.46Å; W186-G190 PolarHBondContact O-N 3.47Å; W186-A213 HydrophobicContact CE3-CB 4.03Å; W186-K216 HydrophobicContact CB-CB 4.23Å; W186-K216 HydrophobicContact CD2-CB 3.72Å; W186-K216 HydrophobicContact CD2-CD 3.65Å; W186-K216 HydrophobicContact CD2-CG 4.37Å; W186-K216 HydrophobicContact CE3-CB 4.15Å; W186-K216 HydrophobicContact CE3-CD 3.63Å; W186-K216 HydrophobicContact CG-CB 3.75Å; W186-K216 HydrophobicContact CH2-CD 3.49Å; W186-K216 VanDerWaalsContact CH2-CD 3.49Å; W186-K216 HydrophobicContact CZ2-CD 3.45Å; W186-K216 VanDerWaalsContact CZ2-CD 3.45Å; W186-K216 HydrophobicContact CZ3-CD 3.55Å
187C98.2Very high97.2Very high5 Ų528 Ų283%0.03416%0.161CC..Hα-helixtrans-60.8-48.6175-165.40000111.3G183 T184 L189 G190 N191 S217 M226G183-C187 PolarHBondContact O-N 3.15Å; T184-C187 WeakPolarHBondContact O-CB 3.43Å; T184-C187 PolarHBondContact O-N 2.99Å; T184-C187 VanDerWaalsContact O-N 3.16Å; C187-L189 VanDerWaalsContact C-N 3.3Å; C187-L189 PolarHBondContact O-N 3.28Å; C187-G190 WeakPolarHBondContact O-CA 3.16Å; C187-G190 PolarHBondContact O-N 2.92Å; C187-G190 VanDerWaalsContact O-N 3.1Å; C187-N191 PolarHBondContact O-N 2.87Å; C187-N191 PolarHBondContact O-OD1 3.42Å; C187-S217 WeakPolarHBondContact CB-OG 3.47Å; C187-M226 HydrophobicContact CB-CE 3.75Å
188I98.2Very high96.8Very high12 Ų1222.1 Ų22.16%0.06213%0.133CC..Hα-helixtrans-63.7-37.3178.9-62.1-47.4000111.4R144 M148 A172 T184 S185 G190 N191 A192R144-I188 HydrophobicContact CB-CG1 4.24Å; R144-I188 HydrophobicContact CB-CG2 4.49Å; R144-I188 HydrophobicContact CG-CB 4.43Å; R144-I188 HydrophobicContact CG-CG1 4.24Å; M148-I188 HydrophobicContact CE-CD1 4.47Å; M148-I188 HydrophobicContact CG-CD1 3.7Å; M148-I188 HydrophobicContact CG-CG1 4.38Å; M148-I188 HydrophobicContact CG-CG2 4.18Å; M148-I188 HydrophobicContact SD-CD1 3.53Å; M148-I188 VanDerWaalsContact SD-CD1 3.53Å; M148-I188 HydrophobicContact SD-CG1 4.28Å; A172-I188 HydrophobicContact CB-CG2 4.19Å; T184-I188 WeakPolarHBondContact O-CG1 3.27Å; T184-I188 PolarHBondContact O-N 3.2Å; S185-I188 PolarHBondContact O-N 3.46Å; I188-G190 VanDerWaalsContact C-N 3.35Å; I188-N191 PolarHBondContact O-N 2.98Å; I188-A192 WeakPolarHBondContact O-CB 3.44Å; I188-A192 PolarHBondContact O-N 3.44Å
189L98.6Very high96.3Very high7 Ų720.7 Ų20.74%0.03713%0.126CC..Hα-helixtrans-64.3-39.7173-178.658000112.2A172 R173 V176 S185 W186 C187 A192 Y193 A213A172-L189 HydrophobicContact CB-CB 4.02Å; A172-L189 HydrophobicContact CB-CD1 3.87Å; R173-L189 HydrophobicContact CG-CD1 3.67Å; R173-L189 HydrophobicContact CG-CD2 4.31Å; V176-L189 HydrophobicContact CG2-CB 4.25Å; V176-L189 HydrophobicContact CG2-CD2 4.03Å; S185-L189 PolarHBondContact O-N 3.2Å; W186-L189 HydrophobicContact CE3-CD2 3.93Å; W186-L189 HydrophobicContact CZ3-CD2 3.74Å; W186-L189 PolarHBondContact O-N 3.46Å; C187-L189 VanDerWaalsContact C-N 3.3Å; C187-L189 PolarHBondContact O-N 3.28Å; L189-A192 PolarHBondContact O-N 3.23Å; L189-Y193 HydrophobicContact CD1-CD2 3.9Å; L189-Y193 HydrophobicContact CD1-CE2 3.48Å; L189-Y193 VanDerWaalsContact CD1-CE2 3.48Å; L189-Y193 HydrophobicContact CD2-CE2 3.98Å; L189-Y193 HydrophobicContact CG-CD2 3.87Å; L189-Y193 HydrophobicContact CG-CE2 3.54Å; L189-Y193 VanDerWaalsContact O-CD2 3.27Å; L189-Y193 WeakPolarHBondContact O-CD2 3.45Å; L189-Y193 PolarHBondContact O-N 2.86Å; L189-A213 HydrophobicContact CB-CB 4.45Å; L189-A213 HydrophobicContact CG-CB 4.32Å
190G98.2Very high95.6Very high0 Ų020.8 Ų20.80%013%0.13CC..Hα-helixtrans-58.4-48.2171.700000112.1W186 C187 I188 A192 Y193 L194 Y214W186-G190 PolarHBondContact O-N 3.47Å; C187-G190 WeakPolarHBondContact O-CA 3.16Å; C187-G190 PolarHBondContact O-N 2.92Å; C187-G190 VanDerWaalsContact O-N 3.1Å; I188-G190 VanDerWaalsContact C-N 3.35Å; G190-A192 VanDerWaalsContact C-N 3.31Å; G190-A192 PolarHBondContact O-N 2.9Å; G190-Y193 PolarHBondContact O-N 2.74Å; G190-L194 WeakPolarHBondContact O-CB 3.24Å; G190-L194 PolarHBondContact O-N 3.23Å; G190-Y214 VanDerWaalsContact C-CZ 3.43Å; G190-Y214 VanDerWaalsContact C-OH 3.29Å; G190-Y214 PolarHBondContact O-OH 3.44Å
191N97.8Very high94.8Very high7 Ų719.4 Ų19.44%0.03713%0.132CC..Hα-helixtrans-61.3-39.4176.5-69.31.9000111.5R151 C187 I188 L194 S195 Y214 N232R151-N191 VanDerWaalsContact NH2-CB 3.32Å; C187-N191 PolarHBondContact O-N 2.87Å; C187-N191 PolarHBondContact O-OD1 3.42Å; I188-N191 PolarHBondContact O-N 2.98Å; N191-L194 WeakPolarHBondContact O-CB 3.31Å; N191-L194 PolarHBondContact O-N 3.19Å; N191-S195 PolarHBondContact O-N 3.2Å; N191-S195 PolarHBondContact O-OG 2.86Å; N191-Y214 WeakPolarHBondContact CA-OH 3.43Å; N191-Y214 PolarHBondContact N-OH 2.97Å; N191-Y214 VanDerWaalsContact OD1-CE1 3.26Å; N191-Y214 WeakPolarHBondContact OD1-CE1 3.44Å; N191-Y214 PolarHBondContact OD1-OH 3.41Å; N191-N232 PolarHBondContact ND2-ND2 3.49Å; N191-N232 PolarHBondContact OD1-ND2 3.16Å
192A97.7Very high94.4Very high0 Ų017.8 Ų17.80%011%0.11CC..Hα-helixtrans-65.6-44.7177.800000112.3V169 A172 I188 L189 G190 L194 S195 L196V169-A192 HydrophobicContact CB-CB 4.4Å; V169-A192 HydrophobicContact CG2-CB 3.7Å; A172-A192 HydrophobicContact CB-CB 4.22Å; I188-A192 WeakPolarHBondContact O-CB 3.44Å; I188-A192 PolarHBondContact O-N 3.44Å; L189-A192 PolarHBondContact O-N 3.23Å; G190-A192 VanDerWaalsContact C-N 3.31Å; G190-A192 PolarHBondContact O-N 2.9Å; A192-L194 VanDerWaalsContact C-N 3.32Å; A192-L194 PolarHBondContact O-N 3.02Å; A192-S195 PolarHBondContact O-N 3.5Å; A192-L196 WeakPolarHBondContact O-CB 3.12Å; A192-L196 PolarHBondContact O-N 3.33Å
193Y97.9Very high94Very high20 Ų2020.1 Ų20.18%0.07812%0.122CC..Hα-helixtrans-65.2-35.4173.8-76.2-50.9000112.8V169 R173 L189 G190 L196 F197 Q209V169-Y193 HydrophobicContact CG1-CD1 4.15Å; V169-Y193 HydrophobicContact CG1-CE1 3.68Å; V169-Y193 HydrophobicContact CG2-CD1 4.38Å; R173-Y193 PolarHBondContact NE-OH 2.96Å; R173-Y193 PolarHBondContact NH2-OH 3.41Å; L189-Y193 HydrophobicContact CD1-CD2 3.9Å; L189-Y193 HydrophobicContact CD1-CE2 3.48Å; L189-Y193 VanDerWaalsContact CD1-CE2 3.48Å; L189-Y193 HydrophobicContact CD2-CE2 3.98Å; L189-Y193 HydrophobicContact CG-CD2 3.87Å; L189-Y193 HydrophobicContact CG-CE2 3.54Å; L189-Y193 VanDerWaalsContact O-CD2 3.27Å; L189-Y193 WeakPolarHBondContact O-CD2 3.45Å; L189-Y193 PolarHBondContact O-N 2.86Å; G190-Y193 PolarHBondContact O-N 2.74Å; Y193-L196 HydrophobicContact CD1-CD2 4.42Å; Y193-L196 PolarHBondContact O-N 3.43Å; Y193-F197 WeakPolarHBondContact O-CB 3.37Å; Y193-F197 PolarHBondContact O-N 3.31Å; Y193-Q209 HydrophobicContact CD1-CB 4.05Å; Y193-Q209 HydrophobicContact CD2-CB 3.78Å; Y193-Q209 HydrophobicContact CE1-CB 4.14Å; Y193-Q209 VanDerWaalsContact CE1-OE1 3.3Å; Y193-Q209 HydrophobicContact CE2-CB 3.84Å; Y193-Q209 HydrophobicContact CG-CB 3.88Å
194L95.6Very high93.7Very high0 Ų024.1 Ų24.10%015%0.148CC..Hα-helixtrans-61.8-46.7174.5-176.264000110.8G190 N191 A192 L196 F197 F198 A210 Y214 N232 L236 Y438G190-L194 WeakPolarHBondContact O-CB 3.24Å; G190-L194 PolarHBondContact O-N 3.23Å; N191-L194 WeakPolarHBondContact O-CB 3.31Å; N191-L194 PolarHBondContact O-N 3.19Å; A192-L194 VanDerWaalsContact C-N 3.32Å; A192-L194 PolarHBondContact O-N 3.02Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L194-L196 PolarHBondContact O-N 2.94Å; L194-F197 WeakPolarHBondContact O-CB 3.12Å; L194-F197 PolarHBondContact O-N 2.99Å; L194-F198 HydrophobicContact CD1-CD2 4.07Å; L194-F198 HydrophobicContact CD1-CE2 3.6Å; L194-F198 HydrophobicContact CG-CD2 4.32Å; L194-F198 HydrophobicContact CG-CE2 4.2Å; L194-F198 VanDerWaalsContact O-CD2 3.31Å; L194-F198 WeakPolarHBondContact O-CD2 3.49Å; L194-F198 PolarHBondContact O-N 3.33Å; L194-A210 HydrophobicContact CB-CB 4.5Å; L194-Y214 WeakPolarHBondContact CD2-OH 3.16Å; L194-N232 HydrophobicContact CD2-CB 4.38Å; L194-L236 HydrophobicContact CD1-CB 3.76Å; L194-L236 HydrophobicContact CD1-CD1 3.68Å; L194-L236 HydrophobicContact CD1-CD2 3.98Å; L194-L236 HydrophobicContact CD1-CG 4Å; L194-Y438 HydrophobicContact CB-CE1 4.35Å; L194-Y438 HydrophobicContact CD2-CD1 3.54Å; L194-Y438 HydrophobicContact CD2-CE1 3.4Å; L194-Y438 HydrophobicContact CG-CD1 4.07Å; L194-Y438 HydrophobicContact CG-CE1 3.44Å; L194-Y438 VanDerWaalsContact CG-CE1 3.44Å
195S93.9Very high93.5Very high6 Ų627.6 Ų27.64%0.04216%0.161CC..Hα-helixtrans-63.1-39.9174.1-56.30000112.6R151 N191 A192 F197 F198 N199 Y438R151-S195 VanDerWaalsContact CD-OG 3.3Å; R151-S195 WeakPolarHBondContact CD-OG 3.2Å; R151-S195 PolarHBondContact NE-OG 3.36Å; N191-S195 PolarHBondContact O-N 3.2Å; N191-S195 PolarHBondContact O-OG 2.86Å; A192-S195 PolarHBondContact O-N 3.5Å; S195-F197 VanDerWaalsContact C-N 3.34Å; S195-F197 PolarHBondContact O-N 3.43Å; S195-F198 PolarHBondContact O-N 3.33Å; S195-N199 VanDerWaalsContact O-CB 3.3Å; S195-N199 WeakPolarHBondContact O-CB 3.25Å; S195-N199 PolarHBondContact O-N 2.96Å; S195-Y438 WeakPolarHBondContact CA-OH 3.49Å; S195-Y438 WeakPolarHBondContact OG-CD2 3.19Å; S195-Y438 WeakPolarHBondContact OG-CE2 3.38Å
196L94.1Very high93.3Very high5 Ų529.5 Ų29.53%0.02617%0.169CC..Hα-helixtrans-62.6-41.5175.7-175.265.3000111.8V165 L166 V169 A192 Y193 L194 F198 N199 C200 F206V165-L196 VanDerWaalsContact CG1-CA 3.48Å; V165-L196 HydrophobicContact CG1-CB 3.89Å; V165-L196 HydrophobicContact CG1-CD1 4.04Å; L166-L196 HydrophobicContact CD2-CD1 3.63Å; L166-L196 HydrophobicContact CG-CD1 4.25Å; V169-L196 HydrophobicContact CG2-CB 4.17Å; V169-L196 HydrophobicContact CG2-CD2 4.17Å; A192-L196 WeakPolarHBondContact O-CB 3.12Å; A192-L196 PolarHBondContact O-N 3.33Å; Y193-L196 HydrophobicContact CD1-CD2 4.42Å; Y193-L196 PolarHBondContact O-N 3.43Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L194-L196 PolarHBondContact O-N 2.94Å; L196-F198 PolarHBondContact O-N 3.23Å; L196-N199 PolarHBondContact O-N 2.99Å; L196-C200 WeakPolarHBondContact CD1-SG 3.43Å; L196-C200 WeakPolarHBondContact O-CB 3.35Å; L196-C200 PolarHBondContact O-N 3.35Å; L196-F206 HydrophobicContact CD2-CD1 3.65Å; L196-F206 HydrophobicContact CD2-CD2 4.23Å; L196-F206 HydrophobicContact CD2-CE1 3.54Å; L196-F206 HydrophobicContact CD2-CE2 4.12Å; L196-F206 HydrophobicContact CD2-CG 4.03Å; L196-F206 HydrophobicContact CD2-CZ 3.8Å; L196-F206 HydrophobicContact CG-CD1 4.3Å; L196-F206 HydrophobicContact CG-CD2 4.03Å; L196-F206 HydrophobicContact CG-CE1 4.35Å; L196-F206 HydrophobicContact CG-CE2 4.06Å; L196-F206 HydrophobicContact CG-CG 4.17Å; L196-F206 HydrophobicContact CG-CZ 4.23Å
197F93.9Very high93.2Very high1 Ų127.6 Ų27.60%0.00416%0.162CC..Hα-helixtrans-55.7-51.6175.5170.9-105.3000111.4Y193 L194 S195 N199 Q202 N203 F206 L236 Y239Y193-F197 WeakPolarHBondContact O-CB 3.37Å; Y193-F197 PolarHBondContact O-N 3.31Å; L194-F197 WeakPolarHBondContact O-CB 3.12Å; L194-F197 PolarHBondContact O-N 2.99Å; S195-F197 VanDerWaalsContact C-N 3.34Å; S195-F197 PolarHBondContact O-N 3.43Å; F197-N199 VanDerWaalsContact C-N 3.33Å; F197-N199 PolarHBondContact O-N 2.86Å; F197-Q202 HydrophobicContact CD1-CG 4.27Å; F197-Q202 HydrophobicContact CD2-CB 4.22Å; F197-Q202 HydrophobicContact CE1-CB 4.08Å; F197-Q202 HydrophobicContact CE1-CG 3.86Å; F197-Q202 VanDerWaalsContact CE2-CA 3.47Å; F197-Q202 HydrophobicContact CE2-CB 3.65Å; F197-Q202 HydrophobicContact CE2-CG 4.31Å; F197-Q202 VanDerWaalsContact CE2-O 3.32Å; F197-Q202 WeakPolarHBondContact CE2-O 3.48Å; F197-Q202 HydrophobicContact CZ-CB 3.59Å; F197-Q202 HydrophobicContact CZ-CG 3.9Å; F197-Q202 WeakPolarHBondContact O-CA 3.4Å; F197-Q202 PolarHBondContact O-N 3.19Å; F197-N203 WeakPolarHBondContact CD2-O 3.36Å; F197-F206 HydrophobicContact CB-CB 3.85Å; F197-F206 HydrophobicContact CD2-CB 4.33Å; F197-L236 HydrophobicContact CD1-CD1 4.11Å; F197-L236 HydrophobicContact CE1-CD1 3.95Å; F197-L236 HydrophobicContact CZ-CD1 4.48Å; F197-Y239 AromaticContact CE1-CD1 3.55Å; F197-Y239 HydrophobicContact CE1-CD1 3.55Å; F197-Y239 AromaticContact CE1-CE1 3.67Å; F197-Y239 HydrophobicContact CE1-CE1 3.67Å; F197-Y239 HydrophobicContact CE1-CG 4.19Å; F197-Y239 AromaticContact CZ-CD1 3.55Å; F197-Y239 HydrophobicContact CZ-CD1 3.55Å; F197-Y239 AromaticContact CZ-CE1 3.4Å; F197-Y239 HydrophobicContact CZ-CE1 3.4Å; F197-Y239 VanDerWaalsContact CZ-CE1 3.4Å
198F90.2Very high93.1Very high16 Ų1632.9 Ų32.97%0.0719%0.186CC..Hα-helixtrans-72.4-23.9179.3-73.9-73.1000113.9L194 S195 L196 Q202 Y239 V434 V436 Y438L194-F198 HydrophobicContact CD1-CD2 4.07Å; L194-F198 HydrophobicContact CD1-CE2 3.6Å; L194-F198 HydrophobicContact CG-CD2 4.32Å; L194-F198 HydrophobicContact CG-CE2 4.2Å; L194-F198 VanDerWaalsContact O-CD2 3.31Å; L194-F198 WeakPolarHBondContact O-CD2 3.49Å; L194-F198 PolarHBondContact O-N 3.33Å; S195-F198 PolarHBondContact O-N 3.33Å; L196-F198 PolarHBondContact O-N 3.23Å; F198-Q202 HydrophobicContact CD1-CG 4.17Å; F198-Q202 PolarHBondContact O-NE2 2.9Å; F198-Y239 AromaticContact CE1-CD2 3.57Å; F198-Y239 HydrophobicContact CE1-CD2 3.57Å; F198-Y239 AromaticContact CE1-CE2 3.75Å; F198-Y239 HydrophobicContact CE1-CE2 3.75Å; F198-Y239 HydrophobicContact CE1-CG 4.06Å; F198-Y239 AromaticContact CZ-CD2 3.86Å; F198-Y239 HydrophobicContact CZ-CD2 3.86Å; F198-Y239 HydrophobicContact CZ-CE2 4.46Å; F198-Y239 AromaticContact CZ-CG 3.95Å; F198-Y239 HydrophobicContact CZ-CG 3.95Å; F198-V434 HydrophobicContact CD1-CG1 4.4Å; F198-V434 WeakPolarHBondContact CD1-O 3.13Å; F198-V434 HydrophobicContact CE1-CG1 4.04Å; F198-V436 HydrophobicContact CD1-CG2 4.19Å; F198-V436 HydrophobicContact CD2-CB 4.17Å; F198-V436 HydrophobicContact CD2-CG2 4.13Å; F198-V436 HydrophobicContact CE1-CG2 3.66Å; F198-V436 HydrophobicContact CE2-CB 3.91Å; F198-V436 HydrophobicContact CE2-CG2 3.54Å; F198-V436 HydrophobicContact CG-CG2 4.42Å; F198-V436 HydrophobicContact CZ-CB 4.19Å; F198-V436 HydrophobicContact CZ-CG2 3.3Å; F198-Y438 WeakPolarHBondContact CB-OH 3.45Å; F198-Y438 HydrophobicContact CD2-CE1 4.3Å; F198-Y438 WeakPolarHBondContact CD2-OH 3.38Å
199N87.9Confident93.1Very high56 Ų5634.9 Ų34.930%0.29920%0.196SC..Hα-helixtrans-79.8-36.4177.2-164.3-85.8000113H161 G162 V165 S195 L196 F197 G201H161-N199 PolarHBondContact CD2-ND2 3.35Å; H161-N199 VanDerWaalsContact CD2-ND2 3.27Å; G162-N199 WeakPolarHBondContact CA-OD1 3.37Å; V165-N199 HydrophobicContact CG1-CB 4.43Å; S195-N199 VanDerWaalsContact O-CB 3.3Å; S195-N199 WeakPolarHBondContact O-CB 3.25Å; S195-N199 PolarHBondContact O-N 2.96Å; L196-N199 PolarHBondContact O-N 2.99Å; F197-N199 VanDerWaalsContact C-N 3.33Å; F197-N199 PolarHBondContact O-N 2.86Å; N199-G201 PolarHBondContact O-N 2.87Å
200C83.5Confident93.1Very high57 Ų5734.6 Ų34.639%0.38519%0.194SC..THydrogen-bonded Turntrans-102.544-173.4-64.10000113.5L196 Q202 F206L196-C200 WeakPolarHBondContact CD1-SG 3.43Å; L196-C200 WeakPolarHBondContact O-CB 3.35Å; L196-C200 PolarHBondContact O-N 3.35Å; C200-Q202 VanDerWaalsContact C-N 3.28Å; C200-Q202 PolarHBondContact O-N 2.68Å; C200-F206 HydrophobicContact CB-CD2 4.36Å; C200-F206 HydrophobicContact CB-CE2 3.9Å
201G80.7Confident93.1Very high59 Ų5935.6 Ų35.661%0.60820%0.199SC*.THydrogen-bonded Turntrans65.127.7172.500000114.6N199 N203N199-G201 PolarHBondContact O-N 2.87Å; G201-N203 PolarHBondContact O-N 2.86Å
202Q88.6Confident93.1Very high22 Ų2238.3 Ų38.310%0.10322%0.219CC..THydrogen-bonded Turntrans58.643.5174.2-60.188.316.600114F197 F198 C200 P204 Y239 V434F197-Q202 HydrophobicContact CD1-CG 4.27Å; F197-Q202 HydrophobicContact CD2-CB 4.22Å; F197-Q202 HydrophobicContact CE1-CB 4.08Å; F197-Q202 HydrophobicContact CE1-CG 3.86Å; F197-Q202 VanDerWaalsContact CE2-CA 3.47Å; F197-Q202 HydrophobicContact CE2-CB 3.65Å; F197-Q202 HydrophobicContact CE2-CG 4.31Å; F197-Q202 VanDerWaalsContact CE2-O 3.32Å; F197-Q202 WeakPolarHBondContact CE2-O 3.48Å; F197-Q202 HydrophobicContact CZ-CB 3.59Å; F197-Q202 HydrophobicContact CZ-CG 3.9Å; F197-Q202 WeakPolarHBondContact O-CA 3.4Å; F197-Q202 PolarHBondContact O-N 3.19Å; F198-Q202 HydrophobicContact CD1-CG 4.17Å; F198-Q202 PolarHBondContact O-NE2 2.9Å; C200-Q202 VanDerWaalsContact C-N 3.28Å; C200-Q202 PolarHBondContact O-N 2.68Å; Q202-P204 VanDerWaalsContact O-CD 3.31Å; Q202-P204 WeakPolarHBondContact O-CD 3.18Å; Q202-Y239 HydrophobicContact CB-CE1 4.27Å; Q202-Y239 HydrophobicContact CG-CE1 4.2Å; Q202-Y239 WeakPolarHBondContact CG-OH 3.39Å; Q202-V434 PolarHBondContact NE2-O 3.26Å
203N88.4Confident93.2Very high67 Ų6738.4 Ų38.436%0.35822%0.22SC..  trans-59.4119.2172.3-178.7-21.2000110.6F197 G201 Q205 F206F197-N203 WeakPolarHBondContact CD2-O 3.36Å; G201-N203 PolarHBondContact O-N 2.86Å; N203-Q205 PolarHBondContact O-N 2.63Å; N203-Q205 WeakPolarHBondContact OD1-CB 3.31Å; N203-Q205 PolarHBondContact OD1-N 3.29Å; N203-F206 HydrophobicContact CB-CD2 3.78Å; N203-F206 HydrophobicContact CB-CE2 3.97Å; N203-F206 PolarHBondContact O-N 2.9Å
204P89.7Confident93.2Very high84 Ų8437.5 Ų37.555%0.54522%0.216SC..Hα-helixtrans-56.2-24.8-177-27.435.5000114.8Q202 F206 S207 Q208Q202-P204 VanDerWaalsContact O-CD 3.31Å; Q202-P204 WeakPolarHBondContact O-CD 3.18Å; P204-F206 PolarHBondContact O-N 3.15Å; P204-S207 PolarHBondContact O-N 3.35Å; P204-S207 PolarHBondContact O-OG 3.25Å; P204-Q208 WeakPolarHBondContact O-CG 2.98Å; P204-Q208 PolarHBondContact O-N 3.14Å
205Q94.3Very high93.3Very high117 Ų11740.2 Ų40.255%0.54724%0.238SC..Hα-helixtrans-59.7-38176-173.7176.19.400112N203 Q208 Q209N203-Q205 PolarHBondContact O-N 2.63Å; N203-Q205 WeakPolarHBondContact OD1-CB 3.31Å; N203-Q205 PolarHBondContact OD1-N 3.29Å; Q205-Q208 PolarHBondContact O-N 3.34Å; Q205-Q209 VanDerWaalsContact O-CG 3.31Å; Q205-Q209 WeakPolarHBondContact O-CG 3.36Å; Q205-Q209 PolarHBondContact O-N 3.02Å
206F94.3Very high93.5Very high39 Ų3944.6 Ų44.617%0.17126%0.257CS..Hα-helixtrans-73.9-35.1-179.7-59.3-42.8000112.1L196 F197 C200 N203 P204 Q209 A210L196-F206 HydrophobicContact CD2-CD1 3.65Å; L196-F206 HydrophobicContact CD2-CD2 4.23Å; L196-F206 HydrophobicContact CD2-CE1 3.54Å; L196-F206 HydrophobicContact CD2-CE2 4.12Å; L196-F206 HydrophobicContact CD2-CG 4.03Å; L196-F206 HydrophobicContact CD2-CZ 3.8Å; L196-F206 HydrophobicContact CG-CD1 4.3Å; L196-F206 HydrophobicContact CG-CD2 4.03Å; L196-F206 HydrophobicContact CG-CE1 4.35Å; L196-F206 HydrophobicContact CG-CE2 4.06Å; L196-F206 HydrophobicContact CG-CG 4.17Å; L196-F206 HydrophobicContact CG-CZ 4.23Å; F197-F206 HydrophobicContact CB-CB 3.85Å; F197-F206 HydrophobicContact CD2-CB 4.33Å; C200-F206 HydrophobicContact CB-CD2 4.36Å; C200-F206 HydrophobicContact CB-CE2 3.9Å; N203-F206 HydrophobicContact CB-CD2 3.78Å; N203-F206 HydrophobicContact CB-CE2 3.97Å; N203-F206 PolarHBondContact O-N 2.9Å; P204-F206 PolarHBondContact O-N 3.15Å; F206-Q209 PolarHBondContact O-N 2.91Å; F206-A210 WeakPolarHBondContact O-CB 3.47Å; F206-A210 PolarHBondContact O-N 2.89Å
207S95.2Very high93.7Very high0 Ų044.4 Ų44.40%026%0.256CS..Hα-helixtrans-65.4-41.217362.50000111.5P204 Q209 A210 L211 E240P204-S207 PolarHBondContact O-N 3.35Å; P204-S207 PolarHBondContact O-OG 3.25Å; S207-Q209 PolarHBondContact O-N 2.92Å; S207-A210 PolarHBondContact O-N 3.39Å; S207-L211 WeakPolarHBondContact O-CG 3.34Å; S207-L211 PolarHBondContact O-N 3.46Å; S207-E240 WeakPolarHBondContact CB-OE1 3.44Å; S207-E240 PolarHBondContact OG-OE1 3.26Å
208Q97Very high93.8Very high116 Ų11645.8 Ų45.854%0.54227%0.267SS..Hα-helixtrans-62.5-40.8174-64.6-53.1-4900112.6P204 Q205 S212P204-Q208 WeakPolarHBondContact O-CG 2.98Å; P204-Q208 PolarHBondContact O-N 3.14Å; Q205-Q208 PolarHBondContact O-N 3.34Å; Q208-S212 WeakPolarHBondContact O-CB 3.36Å; Q208-S212 PolarHBondContact O-N 3.3Å
209Q98.1Very high94.1Very high54 Ų5449 Ų4925%0.25230%0.297SS..Hα-helixtrans-64.1-42.4175.1-75.4176.9-3000112.2Y193 Q205 F206 S207 S212 A213Y193-Q209 HydrophobicContact CD1-CB 4.05Å; Y193-Q209 HydrophobicContact CD2-CB 3.78Å; Y193-Q209 HydrophobicContact CE1-CB 4.14Å; Y193-Q209 VanDerWaalsContact CE1-OE1 3.3Å; Y193-Q209 HydrophobicContact CE2-CB 3.84Å; Y193-Q209 HydrophobicContact CG-CB 3.88Å; Q205-Q209 VanDerWaalsContact O-CG 3.31Å; Q205-Q209 WeakPolarHBondContact O-CG 3.36Å; Q205-Q209 PolarHBondContact O-N 3.02Å; F206-Q209 PolarHBondContact O-N 2.91Å; S207-Q209 PolarHBondContact O-N 2.92Å; Q209-S212 PolarHBondContact O-N 2.93Å; Q209-A213 WeakPolarHBondContact O-CB 3.27Å; Q209-A213 PolarHBondContact O-N 2.98Å
210A98.2Very high94.5Very high0 Ų048.7 Ų48.70%030%0.295CS..Hα-helixtrans-61.5-50.5175.400000111.5L194 F206 S207 S212 A213 Y214 L236L194-A210 HydrophobicContact CB-CB 4.5Å; F206-A210 WeakPolarHBondContact O-CB 3.47Å; F206-A210 PolarHBondContact O-N 2.89Å; S207-A210 PolarHBondContact O-N 3.39Å; A210-S212 VanDerWaalsContact C-N 3.31Å; A210-S212 PolarHBondContact O-N 3.19Å; A210-A213 PolarHBondContact O-N 3.4Å; A210-A213 VanDerWaalsContact O-N 3.15Å; A210-Y214 HydrophobicContact CB-CE2 4.25Å; A210-Y214 WeakPolarHBondContact O-CD2 3.33Å; A210-Y214 PolarHBondContact O-N 3.35Å; A210-L236 HydrophobicContact CB-CD2 3.63Å
211L98.1Very high94.8Very high22 Ų2253.4 Ų53.412%0.11531%0.309CS..Hα-helixtrans-60.1-39.7178-70.3176.4000112.2S207 Y214 A215 R233 L236 F237S207-L211 WeakPolarHBondContact O-CG 3.34Å; S207-L211 PolarHBondContact O-N 3.46Å; L211-Y214 PolarHBondContact O-N 2.95Å; L211-A215 WeakPolarHBondContact O-CB 3.49Å; L211-A215 PolarHBondContact O-N 2.83Å; L211-R233 HydrophobicContact CD2-CG 4.17Å; L211-L236 HydrophobicContact CD2-CB 4.48Å; L211-L236 HydrophobicContact CD2-CD2 3.77Å; L211-L236 HydrophobicContact CD2-CG 4.16Å; L211-L236 HydrophobicContact CG-CD2 3.67Å; L211-L236 HydrophobicContact CG-CG 4.32Å; L211-F237 HydrophobicContact CD1-CD1 4.42Å; L211-F237 HydrophobicContact CD1-CE1 4Å; L211-F237 HydrophobicContact CD2-CD1 3.88Å; L211-F237 HydrophobicContact CD2-CE1 3.46Å; L211-F237 VanDerWaalsContact CD2-CE1 3.46Å; L211-F237 HydrophobicContact CD2-CE2 4.4Å; L211-F237 HydrophobicContact CD2-CZ 3.76Å; L211-F237 HydrophobicContact CG-CE1 4.36Å
212S98.3Very high95.4Very high64 Ų6453.9 Ų53.945%0.44830%0.297SS..Hα-helixtrans-65-41.1175.4178.50000112.3Q208 Q209 A210 A215 K216Q208-S212 WeakPolarHBondContact O-CB 3.36Å; Q208-S212 PolarHBondContact O-N 3.3Å; Q209-S212 PolarHBondContact O-N 2.93Å; A210-S212 VanDerWaalsContact C-N 3.31Å; A210-S212 PolarHBondContact O-N 3.19Å; S212-A215 PolarHBondContact O-N 2.87Å; S212-K216 PolarHBondContact O-N 3.35Å
213A98.6Very high95.7Very high2 Ų252.8 Ų52.82%0.01729%0.292CS..Hα-helixtrans-65.3-44.4176.400000111.5W186 L189 Q209 A210 A215 K216 S217W186-A213 HydrophobicContact CE3-CB 4.03Å; L189-A213 HydrophobicContact CB-CB 4.45Å; L189-A213 HydrophobicContact CG-CB 4.32Å; Q209-A213 WeakPolarHBondContact O-CB 3.27Å; Q209-A213 PolarHBondContact O-N 2.98Å; A210-A213 PolarHBondContact O-N 3.4Å; A210-A213 VanDerWaalsContact O-N 3.15Å; A213-A215 VanDerWaalsContact C-N 3.31Å; A213-A215 PolarHBondContact O-N 3.48Å; A213-K216 PolarHBondContact O-N 3.32Å; A213-S217 PolarHBondContact O-N 3.4Å
214Y98.5Very high96Very high0 Ų051.1 Ų51.10%029%0.285CS..Hα-helixtrans-63.1-35.6174.5-64.6-47.3000113.2G190 N191 L194 A210 L211 K216 S217 A218 L229 R233G190-Y214 VanDerWaalsContact C-CZ 3.43Å; G190-Y214 VanDerWaalsContact C-OH 3.29Å; G190-Y214 PolarHBondContact O-OH 3.44Å; N191-Y214 WeakPolarHBondContact CA-OH 3.43Å; N191-Y214 PolarHBondContact N-OH 2.97Å; N191-Y214 VanDerWaalsContact OD1-CE1 3.26Å; N191-Y214 WeakPolarHBondContact OD1-CE1 3.44Å; N191-Y214 PolarHBondContact OD1-OH 3.41Å; L194-Y214 WeakPolarHBondContact CD2-OH 3.16Å; A210-Y214 HydrophobicContact CB-CE2 4.25Å; A210-Y214 WeakPolarHBondContact O-CD2 3.33Å; A210-Y214 PolarHBondContact O-N 3.35Å; L211-Y214 PolarHBondContact O-N 2.95Å; Y214-K216 VanDerWaalsContact C-N 3.31Å; Y214-K216 PolarHBondContact O-N 2.97Å; Y214-S217 PolarHBondContact O-N 3.3Å; Y214-A218 WeakPolarHBondContact O-CB 3.36Å; Y214-A218 PolarHBondContact O-N 3.29Å; Y214-L229 HydrophobicContact CD1-CD1 3.5Å; Y214-L229 VanDerWaalsContact CD1-CD1 3.5Å; Y214-L229 HydrophobicContact CE1-CD1 4.35Å; Y214-L229 HydrophobicContact CG-CD1 4.1Å; Y214-R233 HydrophobicContact CD2-CB 3.83Å; Y214-R233 HydrophobicContact CD2-CG 3.97Å; Y214-R233 HydrophobicContact CE2-CB 4.26Å; Y214-R233 HydrophobicContact CG-CB 4.1Å; Y214-R233 HydrophobicContact CG-CG 4.33Å
215A98.1Very high96.3Very high57 Ų5748.2 Ų48.247%0.47127%0.268SS..Hα-helixtrans-63.4-38.3175.300000112L211 S212 A213 A219L211-A215 WeakPolarHBondContact O-CB 3.49Å; L211-A215 PolarHBondContact O-N 2.83Å; S212-A215 PolarHBondContact O-N 2.87Å; A213-A215 VanDerWaalsContact C-N 3.31Å; A213-A215 PolarHBondContact O-N 3.48Å; A215-A219 PolarHBondContact O-N 3.32Å
216K98.3Very high96.3Very high99 Ų9944.8 Ų44.843%0.4325%0.252SS..Hα-helixtrans-68.7-41.5174-68.9179.6-179.3-176.80112.2W186 S212 A213 Y214 A219W186-K216 HydrophobicContact CB-CB 4.23Å; W186-K216 HydrophobicContact CD2-CB 3.72Å; W186-K216 HydrophobicContact CD2-CD 3.65Å; W186-K216 HydrophobicContact CD2-CG 4.37Å; W186-K216 HydrophobicContact CE3-CB 4.15Å; W186-K216 HydrophobicContact CE3-CD 3.63Å; W186-K216 HydrophobicContact CG-CB 3.75Å; W186-K216 HydrophobicContact CH2-CD 3.49Å; W186-K216 VanDerWaalsContact CH2-CD 3.49Å; W186-K216 HydrophobicContact CZ2-CD 3.45Å; W186-K216 VanDerWaalsContact CZ2-CD 3.45Å; W186-K216 HydrophobicContact CZ3-CD 3.55Å; S212-K216 PolarHBondContact O-N 3.35Å; A213-K216 PolarHBondContact O-N 3.32Å; Y214-K216 VanDerWaalsContact C-N 3.31Å; Y214-K216 PolarHBondContact O-N 2.97Å; K216-A219 WeakPolarHBondContact O-CB 3.4Å; K216-A219 PolarHBondContact O-N 3.37Å
217S97.9Very high96.4Very high0 Ų044 Ų440%025%0.251CS..Hα-helixtrans-58.1-47.1172.9178.30000111.6G183 C187 A213 Y214 A219 D220 A223 L229G183-S217 WeakPolarHBondContact O-CB 3.36Å; G183-S217 PolarHBondContact O-OG 2.89Å; C187-S217 WeakPolarHBondContact CB-OG 3.47Å; A213-S217 PolarHBondContact O-N 3.4Å; Y214-S217 PolarHBondContact O-N 3.3Å; S217-A219 PolarHBondContact O-N 3.05Å; S217-A219 VanDerWaalsContact O-N 3.13Å; S217-D220 WeakPolarHBondContact O-CB 3.28Å; S217-D220 PolarHBondContact O-N 2.73Å; S217-A223 WeakPolarHBondContact O-CB 3.37Å; S217-L229 WeakPolarHBondContact OG-CD2 3.44Å
218A96.4Very high96.4Very high30 Ų3047.2 Ų47.225%0.24827%0.268CS..THydrogen-bonded Turntrans-67.5-13.1-179.700000114.3Y214 L229Y214-A218 WeakPolarHBondContact O-CB 3.36Å; Y214-A218 PolarHBondContact O-N 3.29Å; A218-L229 HydrophobicContact CB-CD2 4.15Å
219A96.4Very high96.5Very high85 Ų8541.7 Ų41.770%0.70224%0.242SC*.THydrogen-bonded Turntrans-83.3-17.717400000112.8A215 K216 S217A215-A219 PolarHBondContact O-N 3.32Å; K216-A219 WeakPolarHBondContact O-CB 3.4Å; K216-A219 PolarHBondContact O-N 3.37Å; S217-A219 PolarHBondContact O-N 3.05Å; S217-A219 VanDerWaalsContact O-N 3.13Å
220D95.3Very high96.5Very high49 Ų4939.7 Ų39.726%0.26223%0.233SC..SBendtrans-80.6135.3171.7172.3-108.9000110.5S217 I222 A223 S224S217-D220 WeakPolarHBondContact O-CB 3.28Å; S217-D220 PolarHBondContact O-N 2.73Å; D220-I222 PolarHBondContact O-N 2.82Å; D220-I222 PolarHBondContact OD1-N 2.98Å; D220-A223 HydrophobicContact CB-CB 3.98Å; D220-A223 WeakPolarHBondContact OD1-CB 3.47Å; D220-A223 PolarHBondContact OD1-N 3.09Å; D220-S224 WeakPolarHBondContact O-CB 3.39Å; D220-S224 PolarHBondContact O-N 3.13Å; D220-S224 PolarHBondContact O-OG 3.4Å
221K91.5Very high96.5Very high155 Ų15539.8 Ų39.867%0.67423%0.233SC*.THydrogen-bonded Turntrans-63.4-46-171.5-69.1-177.5178.1-177.90112S224K221-S224 PolarHBondContact O-OG 3.41Å
222I91.6Very high96.4Very high69 Ų6938.7 Ų38.735%0.35423%0.228SC..THydrogen-bonded Turntrans-70.6-51.4-177.6-63.1174.5000108.9D32 D220 S224 S225D32-I222 HydrophobicContact CB-CG2 4.48Å; D220-I222 PolarHBondContact O-N 2.82Å; D220-I222 PolarHBondContact OD1-N 2.98Å; I222-S224 VanDerWaalsContact C-N 3.27Å; I222-S224 PolarHBondContact O-N 2.81Å; I222-S225 WeakPolarHBondContact O-CB 3.31Å; I222-S225 PolarHBondContact O-N 2.81Å
223A94.6Very high96.4Very high0 Ų038 Ų380%022%0.215CC..G310 helixtrans-62.6-31.2-178.900000113.4S217 D220 S225 M226 L229S217-A223 WeakPolarHBondContact O-CB 3.37Å; D220-A223 HydrophobicContact CB-CB 3.98Å; D220-A223 WeakPolarHBondContact OD1-CB 3.47Å; D220-A223 PolarHBondContact OD1-N 3.09Å; A223-S225 PolarHBondContact O-N 3.13Å; A223-S225 VanDerWaalsContact O-N 3.07Å; A223-M226 HydrophobicContact CB-CE 3.54Å; A223-M226 HydrophobicContact CB-SD 4.48Å; A223-M226 WeakPolarHBondContact O-CB 3.41Å; A223-M226 PolarHBondContact O-N 3.31Å; A223-L229 VanDerWaalsContact O-CD2 3.29Å; A223-L229 WeakPolarHBondContact O-CD2 3.39Å
224S95.5Very high96.3Very high31 Ų3137.9 Ų37.922%0.21721%0.214CC..G310 helixtrans-61.5-15.617578.30000113.9D220 K221 I222 H230D220-S224 WeakPolarHBondContact O-CB 3.39Å; D220-S224 PolarHBondContact O-N 3.13Å; D220-S224 PolarHBondContact O-OG 3.4Å; K221-S224 PolarHBondContact O-OG 3.41Å; I222-S224 VanDerWaalsContact C-N 3.27Å; I222-S224 PolarHBondContact O-N 2.81Å; S224-H230 PolarHBondContact O-NE2 3.48Å
225S95.6Very high96.2Very high24 Ų2438.3 Ų38.317%0.16822%0.216CC..G310 helixtrans-100.14.3177.4-54.30000113.5I222 A223 P227I222-S225 WeakPolarHBondContact O-CB 3.31Å; I222-S225 PolarHBondContact O-N 2.81Å; A223-S225 PolarHBondContact O-N 3.13Å; A223-S225 VanDerWaalsContact O-N 3.07Å; S225-P227 WeakPolarHBondContact O-CD 3.47Å
226M95Very high96.1Very high44 Ų4435.6 Ų35.622%0.21719%0.194CC..  trans-78.7121.2173.3-63.7-176.5-52.100110.4T184 C187 A223 D228 L229 H230T184-M226 HydrophobicContact CG2-SD 4.47Å; C187-M226 HydrophobicContact CB-CE 3.75Å; A223-M226 HydrophobicContact CB-CE 3.54Å; A223-M226 HydrophobicContact CB-SD 4.48Å; A223-M226 WeakPolarHBondContact O-CB 3.41Å; A223-M226 PolarHBondContact O-N 3.31Å; M226-D228 VanDerWaalsContact C-N 3.35Å; M226-D228 PolarHBondContact O-N 3.23Å; M226-L229 HydrophobicContact CB-CB 4.24Å; M226-L229 HydrophobicContact CE-CB 4.41Å; M226-L229 WeakPolarHBondContact O-CB 3.41Å; M226-L229 PolarHBondContact O-N 3.08Å; M226-H230 PolarHBondContact O-CD2 2.96Å
227P96.6Very high96Very high24 Ų2432.1 Ų32.116%0.15618%0.179CC..Hα-helixtrans-58.5-44178-20.829.6000112.7S225 L229 H230 F231 L256 D257 W260S225-P227 WeakPolarHBondContact O-CD 3.47Å; P227-L229 VanDerWaalsContact C-N 3.26Å; P227-L229 PolarHBondContact O-N 3Å; P227-H230 PolarHBondContact O-N 3.41Å; P227-H230 VanDerWaalsContact O-N 3.09Å; P227-F231 PolarHBondContact O-N 3.17Å; P227-F231 VanDerWaalsContact O-N 3.08Å; P227-L256 HydrophobicContact CB-CB 4.27Å; P227-L256 HydrophobicContact CG-CB 3.87Å; P227-D257 HydrophobicContact CB-CB 4.02Å; P227-D257 HydrophobicContact CG-CB 3.65Å; P227-W260 HydrophobicContact CB-CE3 3.95Å; P227-W260 HydrophobicContact CB-CZ3 3.84Å
228D95.8Very high95.9Very high67 Ų6733.7 Ų33.736%0.35819%0.185SC..Hα-helixtrans-59.8-34.1-176.6-58.7-54.7000113.1M226 H230 F231 N232M226-D228 VanDerWaalsContact C-N 3.35Å; M226-D228 PolarHBondContact O-N 3.23Å; D228-H230 PolarHBondContact O-N 3.32Å; D228-F231 PolarHBondContact O-N 3.4Å; D228-N232 VanDerWaalsContact O-CB 3.24Å; D228-N232 WeakPolarHBondContact O-CB 3.3Å; D228-N232 PolarHBondContact O-N 2.9Å; D228-N232 PolarHBondContact O-ND2 3.23Å
229L97.4Very high95.8Very high0 Ų032.3 Ų32.30%017%0.174CC..Hα-helixtrans-57.6-49.8175.9168.361.9000110.8Y214 S217 A218 A223 M226 P227 R233Y214-L229 HydrophobicContact CD1-CD1 3.5Å; Y214-L229 VanDerWaalsContact CD1-CD1 3.5Å; Y214-L229 HydrophobicContact CE1-CD1 4.35Å; Y214-L229 HydrophobicContact CG-CD1 4.1Å; S217-L229 WeakPolarHBondContact OG-CD2 3.44Å; A218-L229 HydrophobicContact CB-CD2 4.15Å; A223-L229 VanDerWaalsContact O-CD2 3.29Å; A223-L229 WeakPolarHBondContact O-CD2 3.39Å; M226-L229 HydrophobicContact CB-CB 4.24Å; M226-L229 HydrophobicContact CE-CB 4.41Å; M226-L229 WeakPolarHBondContact O-CB 3.41Å; M226-L229 PolarHBondContact O-N 3.08Å; P227-L229 VanDerWaalsContact C-N 3.26Å; P227-L229 PolarHBondContact O-N 3Å; L229-R233 WeakPolarHBondContact O-CB 3.45Å; L229-R233 PolarHBondContact O-N 2.68Å; L229-R233 VanDerWaalsContact O-N 3.11Å
230H98.4Very high95.7Very high12 Ų1229.9 Ų29.96%0.05615%0.148CC..Hα-helixtrans-72.2-39-176.5-65-74.9000111.3S224 M226 P227 D228 R233 A234 G249 R252 A253 L256S224-H230 PolarHBondContact O-NE2 3.48Å; M226-H230 PolarHBondContact O-CD2 2.96Å; P227-H230 PolarHBondContact O-N 3.41Å; P227-H230 VanDerWaalsContact O-N 3.09Å; D228-H230 PolarHBondContact O-N 3.32Å; H230-R233 PolarHBondContact ND1-NH2 3.44Å; H230-R233 VanDerWaalsContact ND1-NH2 3.13Å; H230-A234 WeakPolarHBondContact O-CB 3.49Å; H230-A234 PolarHBondContact O-N 3.3Å; H230-G249 WeakPolarHBondContact CB-O 3.46Å; H230-R252 HydrophobicContact CB-CB 4.26Å; H230-R252 HydrophobicContact CB-CG 4.24Å; H230-A253 HydrophobicContact CB-CB 4.16Å; H230-L256 VanDerWaalsContact CD2-CD1 3.49Å; H230-L256 WeakPolarHBondContact CD2-CD1 3.37Å
231F98.1Very high95.7Very high1 Ų127.8 Ų27.80%0.00414%0.136CC..Hα-helixtrans-65.4-50.4178-176-98.2000112.6P227 D228 R233 A234 N235 Y250 A253 W260 E262 P263 K266 H439P227-F231 PolarHBondContact O-N 3.17Å; P227-F231 VanDerWaalsContact O-N 3.08Å; D228-F231 PolarHBondContact O-N 3.4Å; F231-R233 VanDerWaalsContact C-N 3.33Å; F231-R233 PolarHBondContact O-N 3.18Å; F231-A234 WeakPolarHBondContact O-CB 3.29Å; F231-A234 PolarHBondContact O-N 2.76Å; F231-A234 VanDerWaalsContact O-N 3.15Å; F231-N235 WeakPolarHBondContact CD1-ND2 3.17Å; F231-N235 WeakPolarHBondContact CE1-ND2 3.08Å; F231-N235 PolarHBondContact O-N 3.47Å; F231-N235 PolarHBondContact O-ND2 2.98Å; F231-Y250 AromaticContact CD2-CD1 3.82Å; F231-Y250 HydrophobicContact CD2-CD1 3.82Å; F231-Y250 AromaticContact CD2-CE1 3.96Å; F231-Y250 HydrophobicContact CD2-CE1 3.96Å; F231-Y250 HydrophobicContact CE2-CD1 4.05Å; F231-Y250 AromaticContact CE2-CE1 3.93Å; F231-Y250 HydrophobicContact CE2-CE1 3.93Å; F231-A253 HydrophobicContact CB-CB 3.98Å; F231-W260 HydrophobicContact CB-CH2 3.33Å; F231-W260 HydrophobicContact CB-CZ2 4.31Å; F231-W260 HydrophobicContact CB-CZ3 3.75Å; F231-W260 AromaticContact CD1-CH2 3.48Å; F231-W260 HydrophobicContact CD1-CH2 3.48Å; F231-W260 VanDerWaalsContact CD1-CH2 3.48Å; F231-W260 AromaticContact CD1-CZ2 3.72Å; F231-W260 HydrophobicContact CD1-CZ2 3.72Å; F231-W260 AromaticContact CD2-CH2 3.75Å; F231-W260 HydrophobicContact CD2-CH2 3.75Å; F231-W260 AromaticContact CD2-CZ2 3.94Å; F231-W260 HydrophobicContact CD2-CZ2 3.94Å; F231-W260 HydrophobicContact CD2-CZ3 4.4Å; F231-W260 HydrophobicContact CE1-CH2 4.17Å; F231-W260 AromaticContact CE1-CZ2 3.93Å; F231-W260 HydrophobicContact CE1-CZ2 3.93Å; F231-W260 HydrophobicContact CE2-CH2 4.4Å; F231-W260 HydrophobicContact CE2-CZ2 4.13Å; F231-W260 AromaticContact CG-CH2 3.22Å; F231-W260 HydrophobicContact CG-CH2 3.22Å; F231-W260 AromaticContact CG-CZ2 3.72Å; F231-W260 HydrophobicContact CG-CZ2 3.72Å; F231-W260 HydrophobicContact CG-CZ3 4.04Å; F231-W260 HydrophobicContact CZ-CZ2 4.13Å; F231-E262 HydrophobicContact CE2-CG 4.03Å; F231-E262 HydrophobicContact CZ-CG 3.84Å; F231-P263 HydrophobicContact CD2-CB 3.9Å; F231-P263 HydrophobicContact CD2-CG 3.67Å; F231-P263 HydrophobicContact CE2-CB 4.3Å; F231-P263 HydrophobicContact CE2-CG 4.09Å; F231-K266 HydrophobicContact CE2-CG 3.91Å; F231-K266 HydrophobicContact CZ-CG 4.29Å; F231-H439 AromaticContact CE1-CD2 3.75Å
232N96.7Very high96Very high0 Ų024.3 Ų24.30%012%0.124CC..Hα-helixtrans-65.3-37.5179.9-74.1-33.6000111.6N191 L194 D228 N235 L236 H439N191-N232 PolarHBondContact ND2-ND2 3.49Å; N191-N232 PolarHBondContact OD1-ND2 3.16Å; L194-N232 HydrophobicContact CD2-CB 4.38Å; D228-N232 VanDerWaalsContact O-CB 3.24Å; D228-N232 WeakPolarHBondContact O-CB 3.3Å; D228-N232 PolarHBondContact O-N 2.9Å; D228-N232 PolarHBondContact O-ND2 3.23Å; N232-N235 PolarHBondContact O-N 2.93Å; N232-L236 PolarHBondContact O-N 2.87Å; N232-H439 PolarHBondContact ND2-O 3.15Å
233R98Very high96.2Very high49 Ų4921.2 Ų21.219%0.18511%0.108CC..Hα-helixtrans-65.2-41.5171.9-175.9176.463.3176.80.3112.1L211 Y214 L229 H230 F231 N235 L236 F237L211-R233 HydrophobicContact CD2-CG 4.17Å; Y214-R233 HydrophobicContact CD2-CB 3.83Å; Y214-R233 HydrophobicContact CD2-CG 3.97Å; Y214-R233 HydrophobicContact CE2-CB 4.26Å; Y214-R233 HydrophobicContact CG-CB 4.1Å; Y214-R233 HydrophobicContact CG-CG 4.33Å; L229-R233 WeakPolarHBondContact O-CB 3.45Å; L229-R233 PolarHBondContact O-N 2.68Å; L229-R233 VanDerWaalsContact O-N 3.11Å; H230-R233 PolarHBondContact ND1-NH2 3.44Å; H230-R233 VanDerWaalsContact ND1-NH2 3.13Å; F231-R233 VanDerWaalsContact C-N 3.33Å; F231-R233 PolarHBondContact O-N 3.18Å; R233-N235 VanDerWaalsContact C-N 3.34Å; R233-N235 PolarHBondContact O-N 3.47Å; R233-L236 PolarHBondContact O-N 2.99Å; R233-F237 HydrophobicContact CG-CD2 3.87Å; R233-F237 HydrophobicContact CG-CE2 3.46Å; R233-F237 VanDerWaalsContact CG-CE2 3.46Å; R233-F237 HydrophobicContact CG-CZ 4.1Å; R233-F237 WeakPolarHBondContact O-CD2 3.42Å; R233-F237 PolarHBondContact O-N 3.4Å
234A97.8Very high96.4Very high0 Ų022.1 Ų22.10%012%0.116CC..Hα-helixtrans-62.2-39.7177.200000112.2H230 F231 L236 F237 Y238 A246 Y250H230-A234 WeakPolarHBondContact O-CB 3.49Å; H230-A234 PolarHBondContact O-N 3.3Å; F231-A234 WeakPolarHBondContact O-CB 3.29Å; F231-A234 PolarHBondContact O-N 2.76Å; F231-A234 VanDerWaalsContact O-N 3.15Å; A234-L236 VanDerWaalsContact C-N 3.31Å; A234-L236 PolarHBondContact O-N 3.44Å; A234-F237 PolarHBondContact O-N 2.74Å; A234-Y238 WeakPolarHBondContact O-CB 3.35Å; A234-Y238 PolarHBondContact O-N 3.13Å; A234-A246 WeakPolarHBondContact CB-O 3.37Å; A234-Y250 HydrophobicContact CB-CD1 3.55Å; A234-Y250 HydrophobicContact CB-CD2 4.3Å; A234-Y250 HydrophobicContact CB-CE1 3.49Å; A234-Y250 VanDerWaalsContact CB-CE1 3.49Å; A234-Y250 HydrophobicContact CB-CE2 4.26Å; A234-Y250 HydrophobicContact CB-CG 3.96Å
235N95.1Very high96.5Very high8 Ų822.6 Ų22.64%0.04312%0.12CC..Hα-helixtrans-59.3-41.7174-73-27.4000112F231 N232 R233 Y238 Y239 Y250 M354 V436F231-N235 WeakPolarHBondContact CD1-ND2 3.17Å; F231-N235 WeakPolarHBondContact CE1-ND2 3.08Å; F231-N235 PolarHBondContact O-N 3.47Å; F231-N235 PolarHBondContact O-ND2 2.98Å; N232-N235 PolarHBondContact O-N 2.93Å; R233-N235 VanDerWaalsContact C-N 3.34Å; R233-N235 PolarHBondContact O-N 3.47Å; N235-Y238 PolarHBondContact O-N 3.42Å; N235-Y239 PolarHBondContact O-N 2.66Å; N235-Y239 VanDerWaalsContact O-N 3.08Å; N235-Y250 WeakPolarHBondContact OD1-CE1 3.46Å; N235-Y250 PolarHBondContact OD1-OH 2.93Å; N235-M354 WeakPolarHBondContact O-CE 3.37Å; N235-V436 HydrophobicContact CB-CG1 4.45Å
236L95.6Very high96.6Very high0 Ų021.5 Ų21.50%011%0.112CC..Hα-helixtrans-66.8-43.5175.6-174.753000112L194 F197 A210 L211 N232 R233 A234 Y238 Y239 E240L194-L236 HydrophobicContact CD1-CB 3.76Å; L194-L236 HydrophobicContact CD1-CD1 3.68Å; L194-L236 HydrophobicContact CD1-CD2 3.98Å; L194-L236 HydrophobicContact CD1-CG 4Å; F197-L236 HydrophobicContact CD1-CD1 4.11Å; F197-L236 HydrophobicContact CE1-CD1 3.95Å; F197-L236 HydrophobicContact CZ-CD1 4.48Å; A210-L236 HydrophobicContact CB-CD2 3.63Å; L211-L236 HydrophobicContact CD2-CB 4.48Å; L211-L236 HydrophobicContact CD2-CD2 3.77Å; L211-L236 HydrophobicContact CD2-CG 4.16Å; L211-L236 HydrophobicContact CG-CD2 3.67Å; L211-L236 HydrophobicContact CG-CG 4.32Å; N232-L236 PolarHBondContact O-N 2.87Å; R233-L236 PolarHBondContact O-N 2.99Å; A234-L236 VanDerWaalsContact C-N 3.31Å; A234-L236 PolarHBondContact O-N 3.44Å; L236-Y238 VanDerWaalsContact C-N 3.29Å; L236-Y238 PolarHBondContact O-N 2.96Å; L236-Y239 PolarHBondContact O-N 2.94Å; L236-E240 HydrophobicContact CD1-CG 4.23Å; L236-E240 WeakPolarHBondContact O-CG 3.39Å; L236-E240 PolarHBondContact O-N 3.03Å
237F97.1Very high96.8Very high27 Ų2719.4 Ų19.412%0.11810%0.101CC..Hα-helixtrans-59.8-40.1174.7-75.3-44.6000112.4L211 R233 A234 E240 E241 M242 C245 A246L211-F237 HydrophobicContact CD1-CD1 4.42Å; L211-F237 HydrophobicContact CD1-CE1 4Å; L211-F237 HydrophobicContact CD2-CD1 3.88Å; L211-F237 HydrophobicContact CD2-CE1 3.46Å; L211-F237 VanDerWaalsContact CD2-CE1 3.46Å; L211-F237 HydrophobicContact CD2-CE2 4.4Å; L211-F237 HydrophobicContact CD2-CZ 3.76Å; L211-F237 HydrophobicContact CG-CE1 4.36Å; R233-F237 HydrophobicContact CG-CD2 3.87Å; R233-F237 HydrophobicContact CG-CE2 3.46Å; R233-F237 VanDerWaalsContact CG-CE2 3.46Å; R233-F237 HydrophobicContact CG-CZ 4.1Å; R233-F237 WeakPolarHBondContact O-CD2 3.42Å; R233-F237 PolarHBondContact O-N 3.4Å; A234-F237 PolarHBondContact O-N 2.74Å; F237-E240 CarbonylContact O-C 3.6Å; F237-E240 PolarHBondContact O-N 3.41Å; F237-E241 PolarHBondContact O-N 3.47Å; F237-E241 VanDerWaalsContact O-N 3.13Å; F237-M242 HydrophobicContact CB-CB 3.99Å; F237-M242 HydrophobicContact CD1-CB 3.81Å; F237-M242 HydrophobicContact CD1-CE 3.81Å; F237-M242 HydrophobicContact CD1-CG 4.25Å; F237-M242 HydrophobicContact CD1-SD 3.56Å; F237-M242 VanDerWaalsContact CD1-SD 3.56Å; F237-M242 HydrophobicContact CE1-CE 3.6Å; F237-M242 HydrophobicContact CE1-SD 3.78Å; F237-M242 HydrophobicContact CG-CB 4.24Å; F237-M242 WeakPolarHBondContact O-CA 3.43Å; F237-M242 PolarHBondContact O-N 3.45Å; F237-C245 HydrophobicContact CB-CB 4.1Å; F237-C245 HydrophobicContact CD1-CB 3.91Å; F237-C245 HydrophobicContact CD2-CB 3.43Å; F237-C245 VanDerWaalsContact CD2-CB 3.43Å; F237-C245 HydrophobicContact CE1-CB 4.12Å; F237-C245 HydrophobicContact CE2-CB 3.64Å; F237-C245 HydrophobicContact CG-CB 3.57Å; F237-C245 HydrophobicContact CZ-CB 3.99Å; F237-A246 HydrophobicContact CB-CB 3.98Å
238Y95.3Very high96.9Very high32 Ų3223.9 Ų23.913%0.12512%0.12CC..Hα-helixtrans-62.5-43.5176.8-178.7-127.7000111.3A234 N235 L236 E240 E241 F243 L270 M354A234-Y238 WeakPolarHBondContact O-CB 3.35Å; A234-Y238 PolarHBondContact O-N 3.13Å; N235-Y238 PolarHBondContact O-N 3.42Å; L236-Y238 VanDerWaalsContact C-N 3.29Å; L236-Y238 PolarHBondContact O-N 2.96Å; Y238-E240 VanDerWaalsContact C-N 3.34Å; Y238-E240 PolarHBondContact O-N 3.34Å; Y238-E241 PolarHBondContact O-N 3.02Å; Y238-F243 AromaticContact CD2-CD1 3.71Å; Y238-F243 HydrophobicContact CD2-CD1 3.71Å; Y238-F243 AromaticContact CD2-CE1 3.62Å; Y238-F243 HydrophobicContact CD2-CE1 3.62Å; Y238-F243 AromaticContact CE2-CD1 3.99Å; Y238-F243 HydrophobicContact CE2-CD1 3.99Å; Y238-F243 AromaticContact CE2-CE1 3.61Å; Y238-F243 HydrophobicContact CE2-CE1 3.61Å; Y238-L270 HydrophobicContact CD2-CD1 3.92Å; Y238-L270 HydrophobicContact CD2-CD2 4.07Å; Y238-L270 HydrophobicContact CE2-CD1 3.59Å; Y238-M354 HydrophobicContact CD1-CE 3.57Å; Y238-M354 HydrophobicContact CD1-CG 3.9Å; Y238-M354 HydrophobicContact CD1-SD 3.28Å; Y238-M354 WeakPolarHBondContact CD1-SD 3.31Å; Y238-M354 HydrophobicContact CE1-CB 4.26Å; Y238-M354 HydrophobicContact CE1-CE 4.32Å; Y238-M354 HydrophobicContact CE1-CG 3.79Å; Y238-M354 HydrophobicContact CE1-SD 3.81Å; Y238-M354 HydrophobicContact CG-CE 4.47Å; Y238-M354 HydrophobicContact CG-SD 4.05Å
239Y93.8Very high97Very high2 Ų220.8 Ų20.81%0.00811%0.105CC..Hα-helixtrans-62-41.9175.9-173.8-89.2000112.6F197 F198 Q202 N235 L236 E241 M354 Y373 R412 V434F197-Y239 AromaticContact CE1-CD1 3.55Å; F197-Y239 HydrophobicContact CE1-CD1 3.55Å; F197-Y239 AromaticContact CE1-CE1 3.67Å; F197-Y239 HydrophobicContact CE1-CE1 3.67Å; F197-Y239 HydrophobicContact CE1-CG 4.19Å; F197-Y239 AromaticContact CZ-CD1 3.55Å; F197-Y239 HydrophobicContact CZ-CD1 3.55Å; F197-Y239 AromaticContact CZ-CE1 3.4Å; F197-Y239 HydrophobicContact CZ-CE1 3.4Å; F197-Y239 VanDerWaalsContact CZ-CE1 3.4Å; F198-Y239 AromaticContact CE1-CD2 3.57Å; F198-Y239 HydrophobicContact CE1-CD2 3.57Å; F198-Y239 AromaticContact CE1-CE2 3.75Å; F198-Y239 HydrophobicContact CE1-CE2 3.75Å; F198-Y239 HydrophobicContact CE1-CG 4.06Å; F198-Y239 AromaticContact CZ-CD2 3.86Å; F198-Y239 HydrophobicContact CZ-CD2 3.86Å; F198-Y239 HydrophobicContact CZ-CE2 4.46Å; F198-Y239 AromaticContact CZ-CG 3.95Å; F198-Y239 HydrophobicContact CZ-CG 3.95Å; Q202-Y239 HydrophobicContact CB-CE1 4.27Å; Q202-Y239 HydrophobicContact CG-CE1 4.2Å; Q202-Y239 WeakPolarHBondContact CG-OH 3.39Å; N235-Y239 PolarHBondContact O-N 2.66Å; N235-Y239 VanDerWaalsContact O-N 3.08Å; L236-Y239 PolarHBondContact O-N 2.94Å; Y239-E241 PolarHBondContact O-N 3.45Å; Y239-M354 WeakPolarHBondContact CA-SD 3.28Å; Y239-M354 VanDerWaalsContact CB-SD 3.53Å; Y239-M354 HydrophobicContact CD2-CB 4.38Å; Y239-M354 HydrophobicContact CD2-CG 4.45Å; Y239-M354 HydrophobicContact CD2-SD 3.85Å; Y239-M354 HydrophobicContact CG-SD 4.19Å; Y239-M354 PolarHBondContact N-SD 3.02Å; Y239-M354 VanDerWaalsContact N-SD 3.4Å; Y239-Y373 HydrophobicContact CD2-CD1 4.04Å; Y239-Y373 AromaticContact CD2-CE1 3.89Å; Y239-Y373 HydrophobicContact CD2-CE1 3.89Å; Y239-Y373 AromaticContact CE2-CD1 3.49Å; Y239-Y373 HydrophobicContact CE2-CD1 3.49Å; Y239-Y373 VanDerWaalsContact CE2-CD1 3.49Å; Y239-Y373 AromaticContact CE2-CE1 3.82Å; Y239-Y373 HydrophobicContact CE2-CE1 3.82Å; Y239-Y373 HydrophobicContact CG-CE1 4.4Å; Y239-Y373 AromaticContact CZ-CD1 3.84Å; Y239-Y373 PolarHBondContact O-OH 3Å; Y239-R412 PolarHBondContact O-NH1 2.98Å; Y239-V434 HydrophobicContact CD2-CG1 4.44Å; Y239-V434 HydrophobicContact CE2-CB 4.21Å; Y239-V434 HydrophobicContact CE2-CG1 4.17Å; Y239-V434 HydrophobicContact CE2-CG2 4.36Å
240E94.4Very high97.1Very high33 Ų3321 Ų2115%0.15411%0.105CC..THydrogen-bonded Turntrans-78.66.2179.2-68.3-72.4-175.300113.2S207 L236 F237 Y238 M242 K395S207-E240 WeakPolarHBondContact CB-OE1 3.44Å; S207-E240 PolarHBondContact OG-OE1 3.26Å; L236-E240 HydrophobicContact CD1-CG 4.23Å; L236-E240 WeakPolarHBondContact O-CG 3.39Å; L236-E240 PolarHBondContact O-N 3.03Å; F237-E240 CarbonylContact O-C 3.6Å; F237-E240 PolarHBondContact O-N 3.41Å; Y238-E240 VanDerWaalsContact C-N 3.34Å; Y238-E240 PolarHBondContact O-N 3.34Å; E240-M242 HydrophobicContact CB-CG 4.35Å; E240-M242 PolarHBondContact O-N 3.37Å; E240-K395 PolarHBondContact O-NZ 3.13Å
241E95.9Very high97.1Very high6 Ų622.1 Ų22.13%0.02811%0.114CC..THydrogen-bonded Turntrans6024.8-178.6-54.4163.8-133.900113.5F237 Y238 Y239 F243 M371 Y373 K395 H397 S410 R412F237-E241 PolarHBondContact O-N 3.47Å; F237-E241 VanDerWaalsContact O-N 3.13Å; Y238-E241 PolarHBondContact O-N 3.02Å; Y239-E241 PolarHBondContact O-N 3.45Å; E241-F243 HydrophobicContact CB-CE2 3.84Å; E241-F243 HydrophobicContact CB-CZ 3.84Å; E241-F243 HydrophobicContact CG-CE2 4.33Å; E241-F243 HydrophobicContact CG-CZ 3.95Å; E241-F243 PolarHBondContact O-N 2.84Å; E241-F243 VanDerWaalsContact O-N 3.13Å; E241-M371 HydrophobicContact CG-SD 3.98Å; E241-Y373 WeakPolarHBondContact CG-OH 3.42Å; E241-Y373 WeakPolarHBondContact OE1-CE2 3.23Å; E241-Y373 PolarHBondContact OE1-OH 2.97Å; E241-K395 HydrophobicContact CB-CD 4.11Å; E241-K395 IonicContact OE1-NZ 3.54Å; E241-K395 WeakPolarHBondContact OE2-CD 3.49Å; E241-K395 IonicContact OE2-NZ 3.55Å; E241-H397 IonicContact OE2-CE1 2.87Å; E241-H397 IonicContact OE2-NE2 3.4Å; E241-S410 PolarHBondContact OE2-OG 2.8Å; E241-R412 VanDerWaalsContact OE1-CB 3.32Å; E241-R412 WeakPolarHBondContact OE1-CB 3.23Å; E241-R412 WeakPolarHBondContact OE1-CD 3.23Å; E241-R412 WeakPolarHBondContact OE1-CG 3.26Å; E241-R412 IonicContact OE1-CZ 3.93Å; E241-R412 IonicContact OE1-NE 3.91Å; E241-R412 IonicContact OE1-NH1 2.84Å; E241-R412 PolarHBondContact OE1-NH1 3.48Å
242M97Very high97.1Very high82 Ų8226.1 Ų26.140%0.40413%0.129SC..  trans-85.761.5170.4-63.3-177.363.200109.5F237 E240 G244 C245 A246F237-M242 HydrophobicContact CB-CB 3.99Å; F237-M242 HydrophobicContact CD1-CB 3.81Å; F237-M242 HydrophobicContact CD1-CE 3.81Å; F237-M242 HydrophobicContact CD1-CG 4.25Å; F237-M242 HydrophobicContact CD1-SD 3.56Å; F237-M242 VanDerWaalsContact CD1-SD 3.56Å; F237-M242 HydrophobicContact CE1-CE 3.6Å; F237-M242 HydrophobicContact CE1-SD 3.78Å; F237-M242 HydrophobicContact CG-CB 4.24Å; F237-M242 WeakPolarHBondContact O-CA 3.43Å; F237-M242 PolarHBondContact O-N 3.45Å; E240-M242 HydrophobicContact CB-CG 4.35Å; E240-M242 PolarHBondContact O-N 3.37Å; M242-G244 VanDerWaalsContact C-N 3.31Å; M242-G244 PolarHBondContact O-N 3.45Å; M242-C245 HydrophobicContact CB-CB 4.32Å; M242-C245 PolarHBondContact O-N 2.92Å; M242-A246 PolarHBondContact O-N 3.24Å
243F97.4Very high97.1Very high4 Ų426.1 Ų26.12%0.01813%0.129CC..Hα-helixtrans-60.5-33.5-167.5-61.5-57.9000114.6Y238 E241 A246 L247 L270 Y273 L274 M371 H397 I399 F408Y238-F243 AromaticContact CD2-CD1 3.71Å; Y238-F243 HydrophobicContact CD2-CD1 3.71Å; Y238-F243 AromaticContact CD2-CE1 3.62Å; Y238-F243 HydrophobicContact CD2-CE1 3.62Å; Y238-F243 AromaticContact CE2-CD1 3.99Å; Y238-F243 HydrophobicContact CE2-CD1 3.99Å; Y238-F243 AromaticContact CE2-CE1 3.61Å; Y238-F243 HydrophobicContact CE2-CE1 3.61Å; E241-F243 HydrophobicContact CB-CE2 3.84Å; E241-F243 HydrophobicContact CB-CZ 3.84Å; E241-F243 HydrophobicContact CG-CE2 4.33Å; E241-F243 HydrophobicContact CG-CZ 3.95Å; E241-F243 PolarHBondContact O-N 2.84Å; E241-F243 VanDerWaalsContact O-N 3.13Å; F243-A246 PolarHBondContact O-N 3.31Å; F243-L247 WeakPolarHBondContact O-CG 3.33Å; F243-L247 PolarHBondContact O-N 3Å; F243-L270 HydrophobicContact CD1-CD1 3.76Å; F243-L270 HydrophobicContact CD1-CD2 4.45Å; F243-L270 HydrophobicContact CE1-CD1 4.33Å; F243-L270 HydrophobicContact CG-CD1 4.45Å; F243-Y273 HydrophobicContact CE1-CE1 4.48Å; F243-Y273 HydrophobicContact CZ-CE1 4.32Å; F243-L274 HydrophobicContact CB-CD1 4.34Å; F243-L274 HydrophobicContact CB-CD2 4.37Å; F243-L274 HydrophobicContact CD2-CD2 4.1Å; F243-L274 HydrophobicContact CG-CD2 4.14Å; F243-M371 HydrophobicContact CE2-CE 3.9Å; F243-M371 HydrophobicContact CE2-SD 4.31Å; F243-M371 HydrophobicContact CZ-CE 3.95Å; F243-M371 HydrophobicContact CZ-SD 3.97Å; F243-H397 AromaticContact CD2-CE1 3.98Å; F243-H397 AromaticContact CD2-ND1 3.68Å; F243-H397 AromaticContact CE2-CE1 3.71Å; F243-H397 AromaticContact CE2-ND1 3.86Å; F243-I399 HydrophobicContact CB-CD1 3.65Å; F243-I399 HydrophobicContact CB-CG1 4.24Å; F243-I399 HydrophobicContact CD2-CD1 3.94Å; F243-I399 HydrophobicContact CG-CD1 4.24Å; F243-F408 HydrophobicContact CD2-CZ 4.5Å; F243-F408 HydrophobicContact CE2-CZ 4.32Å
244G98.1Very high97.1Very high18 Ų1824.5 Ų24.519%0.18613%0.127CC..Hα-helixtrans-62.6-51.5174.700000112M242 A246 L247 E248M242-G244 VanDerWaalsContact C-N 3.31Å; M242-G244 PolarHBondContact O-N 3.45Å; G244-A246 VanDerWaalsContact C-N 3.26Å; G244-A246 PolarHBondContact O-N 2.98Å; G244-L247 PolarHBondContact O-N 3.24Å; G244-E248 WeakPolarHBondContact O-CG 3.36Å; G244-E248 PolarHBondContact O-N 3.34Å
245C98.2Very high97.1Very high42 Ų4226.2 Ų26.228%0.28414%0.141SC..Hα-helixtrans-61.1-34.3176.1-60.50000112.8F237 M242 G249F237-C245 HydrophobicContact CB-CB 4.1Å; F237-C245 HydrophobicContact CD1-CB 3.91Å; F237-C245 HydrophobicContact CD2-CB 3.43Å; F237-C245 VanDerWaalsContact CD2-CB 3.43Å; F237-C245 HydrophobicContact CE1-CB 4.12Å; F237-C245 HydrophobicContact CE2-CB 3.64Å; F237-C245 HydrophobicContact CG-CB 3.57Å; F237-C245 HydrophobicContact CZ-CB 3.99Å; M242-C245 HydrophobicContact CB-CB 4.32Å; M242-C245 PolarHBondContact O-N 2.92Å; C245-G249 PolarHBondContact O-N 2.93Å
246A98Very high97.2Very high0 Ų026 Ų260%014%0.14CC..Hα-helixtrans-65.4-47174.900000111.9A234 F237 M242 F243 G244 E248 G249 Y250 L270A234-A246 WeakPolarHBondContact CB-O 3.37Å; F237-A246 HydrophobicContact CB-CB 3.98Å; M242-A246 PolarHBondContact O-N 3.24Å; F243-A246 PolarHBondContact O-N 3.31Å; G244-A246 VanDerWaalsContact C-N 3.26Å; G244-A246 PolarHBondContact O-N 2.98Å; A246-E248 PolarHBondContact O-N 3.14Å; A246-G249 PolarHBondContact O-N 2.72Å; A246-Y250 HydrophobicContact CB-CE2 4.18Å; A246-Y250 WeakPolarHBondContact O-CD2 3.04Å; A246-Y250 PolarHBondContact O-N 2.91Å; A246-L270 HydrophobicContact CB-CD2 3.9Å
247L98.4Very high97.3Very high0 Ų028 Ų280%015%0.151CC..Hα-helixtrans-60.2-43.6176.4-73.7169.4000112.3F243 G244 S251 E267 L270 L271 L274 I399 H401F243-L247 WeakPolarHBondContact O-CG 3.33Å; F243-L247 PolarHBondContact O-N 3Å; G244-L247 PolarHBondContact O-N 3.24Å; L247-S251 VanDerWaalsContact O-CB 3.3Å; L247-S251 WeakPolarHBondContact O-CB 3.35Å; L247-S251 PolarHBondContact O-N 3.32Å; L247-E267 HydrophobicContact CD2-CG 3.88Å; L247-L270 HydrophobicContact CD2-CB 3.89Å; L247-L270 HydrophobicContact CD2-CD2 3.76Å; L247-L270 HydrophobicContact CD2-CG 3.73Å; L247-L270 HydrophobicContact CG-CD2 3.69Å; L247-L270 HydrophobicContact CG-CG 4Å; L247-L271 HydrophobicContact CD1-CD2 3.92Å; L247-L271 HydrophobicContact CD2-CD2 3.94Å; L247-L271 HydrophobicContact CD2-CG 3.79Å; L247-L274 HydrophobicContact CD1-CD1 3.93Å; L247-I399 HydrophobicContact CD1-CG2 4.16Å; L247-H401 HydrophobicContact CB-CB 4.33Å; L247-H401 HydrophobicContact CD1-CB 3.7Å
248E98.3Very high97.2Very high118 Ų11830 Ų3055%0.55117%0.166SC*.Hα-helixtrans-60.2-45.6175-72.2173.4-17800111.7G244 A246 S251 R252G244-E248 WeakPolarHBondContact O-CG 3.36Å; G244-E248 PolarHBondContact O-N 3.34Å; A246-E248 PolarHBondContact O-N 3.14Å; E248-S251 PolarHBondContact O-N 2.96Å; E248-R252 WeakPolarHBondContact O-CB 3.43Å; E248-R252 PolarHBondContact O-N 3.35Å
249G98.4Very high97.1Very high3 Ų333.3 Ų33.33%0.03119%0.186CC..Hα-helixtrans-66.7-42.8-179.900000113H230 C245 A246 R252 A253H230-G249 WeakPolarHBondContact CB-O 3.46Å; C245-G249 PolarHBondContact O-N 2.93Å; A246-G249 PolarHBondContact O-N 2.72Å; G249-R252 PolarHBondContact O-N 3.06Å; G249-A253 WeakPolarHBondContact O-CB 3.43Å; G249-A253 PolarHBondContact O-N 2.98Å
250Y98.4Very high97.2Very high4 Ų435.1 Ų35.12%0.01619%0.193CC..Hα-helixtrans-62.8-45174-66.3-44.1000111.9F231 A234 N235 A246 R252 A253 A254 K266 L270F231-Y250 AromaticContact CD2-CD1 3.82Å; F231-Y250 HydrophobicContact CD2-CD1 3.82Å; F231-Y250 AromaticContact CD2-CE1 3.96Å; F231-Y250 HydrophobicContact CD2-CE1 3.96Å; F231-Y250 HydrophobicContact CE2-CD1 4.05Å; F231-Y250 AromaticContact CE2-CE1 3.93Å; F231-Y250 HydrophobicContact CE2-CE1 3.93Å; A234-Y250 HydrophobicContact CB-CD1 3.55Å; A234-Y250 HydrophobicContact CB-CD2 4.3Å; A234-Y250 HydrophobicContact CB-CE1 3.49Å; A234-Y250 VanDerWaalsContact CB-CE1 3.49Å; A234-Y250 HydrophobicContact CB-CE2 4.26Å; A234-Y250 HydrophobicContact CB-CG 3.96Å; N235-Y250 WeakPolarHBondContact OD1-CE1 3.46Å; N235-Y250 PolarHBondContact OD1-OH 2.93Å; A246-Y250 HydrophobicContact CB-CE2 4.18Å; A246-Y250 WeakPolarHBondContact O-CD2 3.04Å; A246-Y250 PolarHBondContact O-N 2.91Å; Y250-R252 VanDerWaalsContact C-N 3.29Å; Y250-R252 PolarHBondContact O-N 3.33Å; Y250-A253 PolarHBondContact O-N 3.35Å; Y250-A254 WeakPolarHBondContact O-CB 3.43Å; Y250-A254 PolarHBondContact O-N 3.16Å; Y250-K266 HydrophobicContact CD1-CB 3.8Å; Y250-K266 HydrophobicContact CD1-CG 4.45Å; Y250-K266 HydrophobicContact CD2-CB 3.96Å; Y250-K266 HydrophobicContact CE1-CB 3.76Å; Y250-K266 HydrophobicContact CE1-CG 4.09Å; Y250-K266 HydrophobicContact CE2-CB 3.91Å; Y250-K266 HydrophobicContact CG-CB 3.92Å; Y250-L270 HydrophobicContact CE2-CD2 4.28Å
251S98.3Very high97.3Very high35 Ų3540.2 Ų40.225%0.24522%0.217CC..Hα-helixtrans-62.4-36.9176.6-177.90000112L247 E248 A255L247-S251 VanDerWaalsContact O-CB 3.3Å; L247-S251 WeakPolarHBondContact O-CB 3.35Å; L247-S251 PolarHBondContact O-N 3.32Å; E248-S251 PolarHBondContact O-N 2.96Å; S251-A255 WeakPolarHBondContact O-CB 3.43Å; S251-A255 PolarHBondContact O-N 2.9Å; S251-A255 VanDerWaalsContact O-N 3.08Å
252R98Very high97.3Very high85 Ų8542.7 Ų42.732%0.32123%0.228SC..Hα-helixtrans-70.7-41.6177.4-179.357.4177.6178.32.1112H230 E248 G249 Y250 A255 L256H230-R252 HydrophobicContact CB-CB 4.26Å; H230-R252 HydrophobicContact CB-CG 4.24Å; E248-R252 WeakPolarHBondContact O-CB 3.43Å; E248-R252 PolarHBondContact O-N 3.35Å; G249-R252 PolarHBondContact O-N 3.06Å; Y250-R252 VanDerWaalsContact C-N 3.29Å; Y250-R252 PolarHBondContact O-N 3.33Å; R252-A255 PolarHBondContact O-N 2.86Å; R252-L256 HydrophobicContact CG-CD1 4.05Å; R252-L256 WeakPolarHBondContact O-CG 3.31Å; R252-L256 PolarHBondContact O-N 3.49Å
253A98.4Very high97.3Very high0 Ų038.8 Ų38.80%021%0.209CC..Hα-helixtrans-61.1-47.7174.900000111.3H230 F231 G249 Y250 A255 L256 D257 W260 P263H230-A253 HydrophobicContact CB-CB 4.16Å; F231-A253 HydrophobicContact CB-CB 3.98Å; G249-A253 WeakPolarHBondContact O-CB 3.43Å; G249-A253 PolarHBondContact O-N 2.98Å; Y250-A253 PolarHBondContact O-N 3.35Å; A253-A255 VanDerWaalsContact C-N 3.26Å; A253-A255 PolarHBondContact O-N 2.71Å; A253-L256 PolarHBondContact O-N 3.26Å; A253-L256 VanDerWaalsContact O-N 3.15Å; A253-D257 PolarHBondContact O-N 3.22Å; A253-W260 HydrophobicContact CB-CZ3 4.32Å; A253-P263 HydrophobicContact CB-CB 3.81Å; A253-P263 HydrophobicContact CB-CG 3.92Å
254A98.2Very high97.3Very high16 Ų1643.6 Ų43.613%0.13223%0.234CC..Hα-helixtrans-61-32.8176.200000113.2Y250 D257 P258 P263 L264Y250-A254 WeakPolarHBondContact O-CB 3.43Å; Y250-A254 PolarHBondContact O-N 3.16Å; A254-D257 CarbonylContact O-C 3.58Å; A254-P258 WeakPolarHBondContact O-CA 3.32Å; A254-P263 HydrophobicContact CB-CB 4.09Å; A254-L264 HydrophobicContact CB-CB 4.32Å
255A97.6Very high97.2Very high36 Ų3647.5 Ų47.530%0.29825%0.248SC..Hα-helixtrans-73.9-33.4176.900000112.6V40 A43 S251 R252 A253V40-A255 HydrophobicContact CG1-CB 3.82Å; V40-A255 VanDerWaalsContact CG1-O 3.28Å; V40-A255 WeakPolarHBondContact CG1-O 3.16Å; A43-A255 WeakPolarHBondContact CB-O 3.45Å; S251-A255 WeakPolarHBondContact O-CB 3.43Å; S251-A255 PolarHBondContact O-N 2.9Å; S251-A255 VanDerWaalsContact O-N 3.08Å; R252-A255 PolarHBondContact O-N 2.86Å; A253-A255 VanDerWaalsContact C-N 3.26Å; A253-A255 PolarHBondContact O-N 2.71Å
256L97.1Very high97Very high4 Ų448.2 Ų48.22%0.02125%0.246CC..Hα-helixtrans-79.7-28178.8-72.1168.7000112.8F35 P227 H230 R252 A253F35-L256 HydrophobicContact CD2-CD2 4.2Å; F35-L256 HydrophobicContact CE1-CD2 4.46Å; F35-L256 HydrophobicContact CE2-CD2 3.96Å; F35-L256 HydrophobicContact CZ-CD2 4.11Å; F35-L256 WeakPolarHBondContact CZ-O 3.32Å; P227-L256 HydrophobicContact CB-CB 4.27Å; P227-L256 HydrophobicContact CG-CB 3.87Å; H230-L256 VanDerWaalsContact CD2-CD1 3.49Å; H230-L256 WeakPolarHBondContact CD2-CD1 3.37Å; R252-L256 HydrophobicContact CG-CD1 4.05Å; R252-L256 WeakPolarHBondContact O-CG 3.31Å; R252-L256 PolarHBondContact O-N 3.49Å; A253-L256 PolarHBondContact O-N 3.26Å; A253-L256 VanDerWaalsContact O-N 3.15Å
257D96.4Very high97Very high42 Ų4248.5 Ų48.523%0.22525%0.247CC..  trans-138.590.9172.2-174.8-6.9000110.6P227 A253 A254 N259 W260P227-D257 HydrophobicContact CB-CB 4.02Å; P227-D257 HydrophobicContact CG-CB 3.65Å; A253-D257 PolarHBondContact O-N 3.22Å; A254-D257 CarbonylContact O-C 3.58Å; D257-N259 PolarHBondContact O-N 2.66Å; D257-N259 WeakPolarHBondContact OD1-CB 3.33Å; D257-N259 PolarHBondContact OD1-N 3.49Å; D257-W260 HydrophobicContact CB-CB 4.13Å; D257-W260 PolarHBondContact O-N 2.81Å; D257-W260 PolarHBondContact OD1-N 3.3Å; D257-W260 VanDerWaalsContact OD1-N 3.16Å
258P96.3Very high96.9Very high69 Ų6954.7 Ų54.745%0.44827%0.274SS..THydrogen-bonded Turntrans-68.7-16.1177.8-22.835.1000114.5A43 A254A43-P258 HydrophobicContact CB-CG 3.85Å; A254-P258 WeakPolarHBondContact O-CA 3.32Å
259N93.3Very high96.7Very high101 Ų10152.7 Ų52.754%0.5427%0.265SS..THydrogen-bonded Turntrans-84.3-18.2179-63.4-33.7000111.3D257 E261D257-N259 PolarHBondContact O-N 2.66Å; D257-N259 WeakPolarHBondContact OD1-CB 3.33Å; D257-N259 PolarHBondContact OD1-N 3.49Å; N259-E261 PolarHBondContact O-N 3.3Å
260W94.8Very high96.5Very high40 Ų4052.8 Ų52.815%0.15227%0.265CS..  trans-83104.7171.2-175.326.1000110.8P227 F231 A253 D257 P263 H439P227-W260 HydrophobicContact CB-CE3 3.95Å; P227-W260 HydrophobicContact CB-CZ3 3.84Å; F231-W260 HydrophobicContact CB-CH2 3.33Å; F231-W260 HydrophobicContact CB-CZ2 4.31Å; F231-W260 HydrophobicContact CB-CZ3 3.75Å; F231-W260 AromaticContact CD1-CH2 3.48Å; F231-W260 HydrophobicContact CD1-CH2 3.48Å; F231-W260 VanDerWaalsContact CD1-CH2 3.48Å; F231-W260 AromaticContact CD1-CZ2 3.72Å; F231-W260 HydrophobicContact CD1-CZ2 3.72Å; F231-W260 AromaticContact CD2-CH2 3.75Å; F231-W260 HydrophobicContact CD2-CH2 3.75Å; F231-W260 AromaticContact CD2-CZ2 3.94Å; F231-W260 HydrophobicContact CD2-CZ2 3.94Å; F231-W260 HydrophobicContact CD2-CZ3 4.4Å; F231-W260 HydrophobicContact CE1-CH2 4.17Å; F231-W260 AromaticContact CE1-CZ2 3.93Å; F231-W260 HydrophobicContact CE1-CZ2 3.93Å; F231-W260 HydrophobicContact CE2-CH2 4.4Å; F231-W260 HydrophobicContact CE2-CZ2 4.13Å; F231-W260 AromaticContact CG-CH2 3.22Å; F231-W260 HydrophobicContact CG-CH2 3.22Å; F231-W260 AromaticContact CG-CZ2 3.72Å; F231-W260 HydrophobicContact CG-CZ2 3.72Å; F231-W260 HydrophobicContact CG-CZ3 4.04Å; F231-W260 HydrophobicContact CZ-CZ2 4.13Å; A253-W260 HydrophobicContact CB-CZ3 4.32Å; D257-W260 HydrophobicContact CB-CB 4.13Å; D257-W260 PolarHBondContact O-N 2.81Å; D257-W260 PolarHBondContact OD1-N 3.3Å; D257-W260 VanDerWaalsContact OD1-N 3.16Å; W260-P263 VanDerWaalsContact CD2-CD 3.4Å; W260-P263 HydrophobicContact CD2-CG 3.39Å; W260-P263 HydrophobicContact CE3-CG 3.34Å; W260-P263 HydrophobicContact CG-CG 4.01Å; W260-P263 HydrophobicContact CH2-CG 4.02Å; W260-P263 HydrophobicContact CZ2-CG 4.01Å; W260-P263 HydrophobicContact CZ3-CG 3.67Å; W260-P263 WeakPolarHBondContact O-CD 3.47Å; W260-H439 HydrophobicContact CZ2-CB 4.38Å; W260-H439 AromaticContact CZ2-CD2 3.57Å
261E96.1Very high96.4Very high140 Ų14053.9 Ų53.965%0.65427%0.271SS*.Hα-helixtrans-72-30.5-174.6-63-176.8164.300113.5N259 L264 E265N259-E261 PolarHBondContact O-N 3.3Å; E261-L264 WeakPolarHBondContact O-CB 3.46Å; E261-L264 PolarHBondContact O-N 3.4Å; E261-L264 VanDerWaalsContact O-N 3.14Å; E261-E265 PolarHBondContact O-N 2.86Å
262E96Very high96.3Very high57 Ų5756.9 Ų56.927%0.26628%0.281SS..Hα-helixtrans-59.4-44.9-169.5-171.7177.3179.100114.2F231 L264 E265 K266 H439F231-E262 HydrophobicContact CE2-CG 4.03Å; F231-E262 HydrophobicContact CZ-CG 3.84Å; E262-L264 VanDerWaalsContact C-N 3.29Å; E262-L264 PolarHBondContact O-N 3.1Å; E262-E265 PolarHBondContact O-N 2.93Å; E262-K266 HydrophobicContact CG-CG 4.22Å; E262-K266 VanDerWaalsContact O-CG 3.31Å; E262-K266 WeakPolarHBondContact O-CG 3.49Å; E262-K266 PolarHBondContact O-N 2.97Å; E262-K266 WeakPolarHBondContact OE1-CE 3.49Å; E262-K266 IonicContact OE1-NZ 3Å; E262-H439 IonicContact OE2-CD2 3.27Å; E262-H439 IonicContact OE2-CE1 2.73Å; E262-H439 IonicContact OE2-NE2 2.85Å; E262-H439 PolarHBondContact OE2-NE2 3.47Å
263P97.6Very high96.1Very high0 Ų053.1 Ų53.10%027%0.267CS..Hα-helixtrans-58.3-40.6176.6-22.232.3000112.8F231 A253 A254 W260 K266 E267F231-P263 HydrophobicContact CD2-CB 3.9Å; F231-P263 HydrophobicContact CD2-CG 3.67Å; F231-P263 HydrophobicContact CE2-CB 4.3Å; F231-P263 HydrophobicContact CE2-CG 4.09Å; A253-P263 HydrophobicContact CB-CB 3.81Å; A253-P263 HydrophobicContact CB-CG 3.92Å; A254-P263 HydrophobicContact CB-CB 4.09Å; W260-P263 VanDerWaalsContact CD2-CD 3.4Å; W260-P263 HydrophobicContact CD2-CG 3.39Å; W260-P263 HydrophobicContact CE3-CG 3.34Å; W260-P263 HydrophobicContact CG-CG 4.01Å; W260-P263 HydrophobicContact CH2-CG 4.02Å; W260-P263 HydrophobicContact CZ2-CG 4.01Å; W260-P263 HydrophobicContact CZ3-CG 3.67Å; W260-P263 WeakPolarHBondContact O-CD 3.47Å; P263-K266 PolarHBondContact O-N 3.34Å; P263-E267 PolarHBondContact O-N 3.15Å
264L96.8Very high96Very high105 Ų10553.1 Ų53.155%0.5527%0.267SS..Hα-helixtrans-65.6-41.9177.2-17865.2000111.2A254 E261 E262 E267 K268A254-L264 HydrophobicContact CB-CB 4.32Å; E261-L264 WeakPolarHBondContact O-CB 3.46Å; E261-L264 PolarHBondContact O-N 3.4Å; E261-L264 VanDerWaalsContact O-N 3.14Å; E262-L264 VanDerWaalsContact C-N 3.29Å; E262-L264 PolarHBondContact O-N 3.1Å; L264-E267 PolarHBondContact O-N 3.4Å; L264-K268 WeakPolarHBondContact O-CB 3.4Å; L264-K268 PolarHBondContact O-N 3.34Å
265E95.8Very high95.9Very high101 Ų10156.9 Ų56.947%0.47228%0.281SS..Hα-helixtrans-62.3-44174.7-67.7-168.5155.500112.1E261 E262 K268 Q269E261-E265 PolarHBondContact O-N 2.86Å; E262-E265 PolarHBondContact O-N 2.93Å; E265-K268 PolarHBondContact O-N 3.44Å; E265-Q269 WeakPolarHBondContact O-CB 3.32Å; E265-Q269 WeakPolarHBondContact O-CG 3.11Å; E265-Q269 PolarHBondContact O-N 3.23Å
266K95.6Very high95.8Very high56 Ų5660.3 Ų60.324%0.24329%0.29CS..Hα-helixtrans-62.8-43.4177.2-67.3-63.3-178.2-172.70111.8F231 Y250 E262 P263 Q269 L270F231-K266 HydrophobicContact CE2-CG 3.91Å; F231-K266 HydrophobicContact CZ-CG 4.29Å; Y250-K266 HydrophobicContact CD1-CB 3.8Å; Y250-K266 HydrophobicContact CD1-CG 4.45Å; Y250-K266 HydrophobicContact CD2-CB 3.96Å; Y250-K266 HydrophobicContact CE1-CB 3.76Å; Y250-K266 HydrophobicContact CE1-CG 4.09Å; Y250-K266 HydrophobicContact CE2-CB 3.91Å; Y250-K266 HydrophobicContact CG-CB 3.92Å; E262-K266 HydrophobicContact CG-CG 4.22Å; E262-K266 VanDerWaalsContact O-CG 3.31Å; E262-K266 WeakPolarHBondContact O-CG 3.49Å; E262-K266 PolarHBondContact O-N 2.97Å; E262-K266 WeakPolarHBondContact OE1-CE 3.49Å; E262-K266 IonicContact OE1-NZ 3Å; P263-K266 PolarHBondContact O-N 3.34Å; K266-Q269 PolarHBondContact O-N 2.85Å; K266-L270 WeakPolarHBondContact O-CB 3.4Å; K266-L270 PolarHBondContact O-N 3.48Å
267E96.9Very high95.7Very high7 Ų760.1 Ų60.13%0.03329%0.289CS..Hα-helixtrans-58-50175.1-168.2-167.5163.700110.7L247 P263 L264 L270 L271 H401 K402L247-E267 HydrophobicContact CD2-CG 3.88Å; P263-E267 PolarHBondContact O-N 3.15Å; L264-E267 PolarHBondContact O-N 3.4Å; E267-L270 PolarHBondContact O-N 3.15Å; E267-L271 HydrophobicContact CG-CD1 4.4Å; E267-L271 WeakPolarHBondContact O-CG 3.06Å; E267-L271 PolarHBondContact O-N 3.33Å; E267-H401 IonicContact OE1-CD2 2.83Å; E267-H401 IonicContact OE1-CE1 3.14Å; E267-H401 IonicContact OE1-NE2 3.11Å; E267-H401 PolarHBondContact OE1-NE2 3.05Å; E267-K402 WeakPolarHBondContact OE1-CE 3.44Å; E267-K402 IonicContact OE1-NZ 3.87Å; E267-K402 PolarHBondContact OE1-NZ 3.5Å; E267-K402 IonicContact OE2-NZ 2.75Å
268K95.6Very high95.7Very high130 Ų13059 Ų5957%0.56528%0.284SS*.Hα-helixtrans-60.3-48.4178.7179.4-179.1171.9-175.70112L264 E265 L270 L271 E272L264-K268 WeakPolarHBondContact O-CB 3.4Å; L264-K268 PolarHBondContact O-N 3.34Å; E265-K268 PolarHBondContact O-N 3.44Å; K268-L270 VanDerWaalsContact C-N 3.27Å; K268-L270 PolarHBondContact O-N 2.82Å; K268-L271 PolarHBondContact O-N 3.27Å; K268-E272 WeakPolarHBondContact CE-OE1 3.31Å; K268-E272 WeakPolarHBondContact O-CG 3.15Å; K268-E272 PolarHBondContact O-N 2.96Å
269Q94.4Very high95.7Very high76 Ų7659.6 Ų59.636%0.35528%0.28SS..Hα-helixtrans-60.3-37.6179.4-74170.821.100112E265 K266 Y273E265-Q269 WeakPolarHBondContact O-CB 3.32Å; E265-Q269 WeakPolarHBondContact O-CG 3.11Å; E265-Q269 PolarHBondContact O-N 3.23Å; K266-Q269 PolarHBondContact O-N 2.85Å; Q269-Y273 WeakPolarHBondContact O-CB 3.47Å; Q269-Y273 PolarHBondContact O-N 3.39Å
270L95.4Very high95.9Very high4 Ų455.8 Ų55.82%0.02126%0.26CS..Hα-helixtrans-69.8-43.1176.8-179.349.5000111.7Y238 F243 A246 L247 Y250 K266 E267 K268 Y273 L274Y238-L270 HydrophobicContact CD2-CD1 3.92Å; Y238-L270 HydrophobicContact CD2-CD2 4.07Å; Y238-L270 HydrophobicContact CE2-CD1 3.59Å; F243-L270 HydrophobicContact CD1-CD1 3.76Å; F243-L270 HydrophobicContact CD1-CD2 4.45Å; F243-L270 HydrophobicContact CE1-CD1 4.33Å; F243-L270 HydrophobicContact CG-CD1 4.45Å; A246-L270 HydrophobicContact CB-CD2 3.9Å; L247-L270 HydrophobicContact CD2-CB 3.89Å; L247-L270 HydrophobicContact CD2-CD2 3.76Å; L247-L270 HydrophobicContact CD2-CG 3.73Å; L247-L270 HydrophobicContact CG-CD2 3.69Å; L247-L270 HydrophobicContact CG-CG 4Å; Y250-L270 HydrophobicContact CE2-CD2 4.28Å; K266-L270 WeakPolarHBondContact O-CB 3.4Å; K266-L270 PolarHBondContact O-N 3.48Å; E267-L270 PolarHBondContact O-N 3.15Å; K268-L270 VanDerWaalsContact C-N 3.27Å; K268-L270 PolarHBondContact O-N 2.82Å; L270-Y273 HydrophobicContact CD1-CD1 4.07Å; L270-Y273 WeakPolarHBondContact O-CB 3.49Å; L270-Y273 PolarHBondContact O-N 3.18Å; L270-L274 HydrophobicContact CD1-CD1 4.14Å; L270-L274 HydrophobicContact CD1-CD2 4.47Å; L270-L274 HydrophobicContact CD1-CG 4.02Å; L270-L274 HydrophobicContact CG-CD1 4.21Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.4Å; L270-L274 PolarHBondContact O-N 3.24Å
271L96.3Very high96Very high27 Ų2755.2 Ų55.214%0.14126%0.259CS..Hα-helixtrans-60.9-46.1174.9-72.2172.1000112.3L247 E267 K268 Y273 L274 E275 Y406L247-L271 HydrophobicContact CD1-CD2 3.92Å; L247-L271 HydrophobicContact CD2-CD2 3.94Å; L247-L271 HydrophobicContact CD2-CG 3.79Å; E267-L271 HydrophobicContact CG-CD1 4.4Å; E267-L271 WeakPolarHBondContact O-CG 3.06Å; E267-L271 PolarHBondContact O-N 3.33Å; K268-L271 PolarHBondContact O-N 3.27Å; L271-Y273 VanDerWaalsContact C-N 3.29Å; L271-Y273 PolarHBondContact O-N 3.18Å; L271-L274 PolarHBondContact O-N 3.46Å; L271-E275 WeakPolarHBondContact O-CB 3.3Å; L271-E275 PolarHBondContact O-N 2.92Å; L271-Y406 HydrophobicContact CD2-CE2 4.11Å; L271-Y406 PolarHBondContact O-OH 3.22Å
272E95.1Very high95.9Very high99 Ų9956.5 Ų56.546%0.46327%0.265SS..Hα-helixtrans-62-38.2175.9-72.4176.5-175.800111.8K268 K276K268-E272 WeakPolarHBondContact CE-OE1 3.31Å; K268-E272 WeakPolarHBondContact O-CG 3.15Å; K268-E272 PolarHBondContact O-N 2.96Å; E272-K276 VanDerWaalsContact O-CB 3.23Å; E272-K276 WeakPolarHBondContact O-CB 3.35Å; E272-K276 PolarHBondContact O-N 3.31Å
273Y94.8Very high95.9Very high6 Ų656.2 Ų56.22%0.02427%0.266CS..Hα-helixtrans-62.5-51.3174.1170.6-113.4000112F243 Q269 L270 L271 E275 K276 V277 L348 T357 M371F243-Y273 HydrophobicContact CE1-CE1 4.48Å; F243-Y273 HydrophobicContact CZ-CE1 4.32Å; Q269-Y273 WeakPolarHBondContact O-CB 3.47Å; Q269-Y273 PolarHBondContact O-N 3.39Å; L270-Y273 HydrophobicContact CD1-CD1 4.07Å; L270-Y273 WeakPolarHBondContact O-CB 3.49Å; L270-Y273 PolarHBondContact O-N 3.18Å; L271-Y273 VanDerWaalsContact C-N 3.29Å; L271-Y273 PolarHBondContact O-N 3.18Å; Y273-E275 VanDerWaalsContact C-N 3.33Å; Y273-E275 PolarHBondContact O-N 3.29Å; Y273-K276 PolarHBondContact O-N 2.83Å; Y273-V277 HydrophobicContact CD2-CG2 3.66Å; Y273-V277 HydrophobicContact CE1-CG2 4.2Å; Y273-V277 HydrophobicContact CE2-CG2 3.36Å; Y273-V277 HydrophobicContact CG-CG2 4.29Å; Y273-V277 WeakPolarHBondContact O-CB 3.2Å; Y273-V277 VanDerWaalsContact O-CG2 3.26Å; Y273-V277 WeakPolarHBondContact O-CG2 3.49Å; Y273-V277 PolarHBondContact O-N 3.45Å; Y273-L348 HydrophobicContact CD2-CD1 4.33Å; Y273-L348 HydrophobicContact CE2-CD1 4.2Å; Y273-T357 HydrophobicContact CE2-CG2 4.15Å; Y273-T357 WeakPolarHBondContact OH-CG2 3.08Å; Y273-T357 PolarHBondContact OH-OG1 3.18Å; Y273-M371 WeakPolarHBondContact OH-CE 3.33Å
274L95.9Very high95.9Very high0 Ų058.6 Ų58.60%028%0.276CS..Hα-helixtrans-63.1-40.4-178.2-67.6172.5000111.6F243 L247 L270 L271 T278 I399 Y406 F408F243-L274 HydrophobicContact CB-CD1 4.34Å; F243-L274 HydrophobicContact CB-CD2 4.37Å; F243-L274 HydrophobicContact CD2-CD2 4.1Å; F243-L274 HydrophobicContact CG-CD2 4.14Å; L247-L274 HydrophobicContact CD1-CD1 3.93Å; L270-L274 HydrophobicContact CD1-CD1 4.14Å; L270-L274 HydrophobicContact CD1-CD2 4.47Å; L270-L274 HydrophobicContact CD1-CG 4.02Å; L270-L274 HydrophobicContact CG-CD1 4.21Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.4Å; L270-L274 PolarHBondContact O-N 3.24Å; L271-L274 PolarHBondContact O-N 3.46Å; L274-T278 WeakPolarHBondContact O-CB 3.23Å; L274-T278 WeakPolarHBondContact O-CG2 3.35Å; L274-T278 PolarHBondContact O-N 3.37Å; L274-T278 PolarHBondContact O-OG1 3Å; L274-I399 HydrophobicContact CD1-CD1 4.16Å; L274-I399 HydrophobicContact CD1-CG2 4.43Å; L274-I399 HydrophobicContact CD2-CD1 3.9Å; L274-Y406 HydrophobicContact CB-CD1 3.85Å; L274-Y406 HydrophobicContact CB-CD2 3.95Å; L274-Y406 HydrophobicContact CB-CE1 3.79Å; L274-Y406 HydrophobicContact CB-CE2 3.9Å; L274-Y406 HydrophobicContact CB-CG 3.91Å; L274-Y406 HydrophobicContact CD1-CD2 3.9Å; L274-Y406 HydrophobicContact CD1-CE2 3.96Å; L274-F408 HydrophobicContact CD2-CE1 4Å; L274-F408 HydrophobicContact CD2-CZ 4.09Å
275E95.9Very high95.8Very high94 Ų9454.4 Ų54.444%0.43926%0.258SS..Hα-helixtrans-62.3-49.2174.9-174.7165.9179.900111.6L271 Y273 V277 T278 E279 K404 Y406L271-E275 WeakPolarHBondContact O-CB 3.3Å; L271-E275 PolarHBondContact O-N 2.92Å; Y273-E275 VanDerWaalsContact C-N 3.33Å; Y273-E275 PolarHBondContact O-N 3.29Å; E275-V277 PolarHBondContact O-N 3.19Å; E275-T278 PolarHBondContact O-N 3.49Å; E275-T278 PolarHBondContact O-OG1 3.3Å; E275-E279 WeakPolarHBondContact O-CB 3.46Å; E275-E279 PolarHBondContact O-N 3.08Å; E275-K404 IonicContact OE2-NZ 3.68Å; E275-K404 PolarHBondContact OE2-NZ 3.17Å; E275-Y406 HydrophobicContact CB-CE1 4.04Å
276K95.3Very high95.8Very high109 Ų10956.3 Ų56.347%0.47427%0.265SS..Hα-helixtrans-64.4-41.1178.7-169.3174.3-172.7-1780112.4E272 Y273 L280 L348E272-K276 VanDerWaalsContact O-CB 3.23Å; E272-K276 WeakPolarHBondContact O-CB 3.35Å; E272-K276 PolarHBondContact O-N 3.31Å; Y273-K276 PolarHBondContact O-N 2.83Å; K276-L280 HydrophobicContact CG-CD1 3.91Å; K276-L280 WeakPolarHBondContact O-CB 3.21Å; K276-L280 WeakPolarHBondContact O-CD1 3.43Å; K276-L280 WeakPolarHBondContact O-CG 3.17Å; K276-L280 PolarHBondContact O-N 3.26Å; K276-L348 HydrophobicContact CD-CD2 3.58Å; K276-L348 HydrophobicContact CG-CD1 4.43Å; K276-L348 HydrophobicContact CG-CD2 3.98Å
277V95.3Very high95.8Very high0 Ų054.6 Ų54.60%026%0.259CS..Hα-helixtrans-62.1-51177.61650000110.4Y273 E275 E279 L280 I281 L348 T357 V369 F408Y273-V277 HydrophobicContact CD2-CG2 3.66Å; Y273-V277 HydrophobicContact CE1-CG2 4.2Å; Y273-V277 HydrophobicContact CE2-CG2 3.36Å; Y273-V277 HydrophobicContact CG-CG2 4.29Å; Y273-V277 WeakPolarHBondContact O-CB 3.2Å; Y273-V277 VanDerWaalsContact O-CG2 3.26Å; Y273-V277 WeakPolarHBondContact O-CG2 3.49Å; Y273-V277 PolarHBondContact O-N 3.45Å; E275-V277 PolarHBondContact O-N 3.19Å; V277-E279 PolarHBondContact O-N 3.13Å; V277-L280 PolarHBondContact O-N 3.05Å; V277-I281 HydrophobicContact CG1-CD1 3.83Å; V277-I281 HydrophobicContact CG1-CG1 4.43Å; V277-I281 VanDerWaalsContact O-CG1 3.23Å; V277-I281 WeakPolarHBondContact O-CG1 3.36Å; V277-I281 PolarHBondContact O-N 3.03Å; V277-L348 HydrophobicContact CG2-CD1 3.44Å; V277-L348 VanDerWaalsContact CG2-CD1 3.44Å; V277-T357 HydrophobicContact CG2-CG2 4.37Å; V277-V369 HydrophobicContact CG1-CG2 3.56Å; V277-F408 HydrophobicContact CG1-CD2 4.4Å; V277-F408 HydrophobicContact CG1-CE2 4.25Å; V277-F408 HydrophobicContact CG1-CZ 4.47Å
278T96.3Very high95.8Very high19 Ų1962.5 Ų62.512%0.11729%0.293CS..Hα-helixtrans-64.2-41-178.448.90000112.4L274 E275 L280 I281 Q282 Y406 F408L274-T278 WeakPolarHBondContact O-CB 3.23Å; L274-T278 WeakPolarHBondContact O-CG2 3.35Å; L274-T278 PolarHBondContact O-N 3.37Å; L274-T278 PolarHBondContact O-OG1 3Å; E275-T278 PolarHBondContact O-N 3.49Å; E275-T278 PolarHBondContact O-OG1 3.3Å; T278-L280 PolarHBondContact O-N 3.02Å; T278-I281 PolarHBondContact O-N 3.35Å; T278-Q282 WeakPolarHBondContact O-CG 3.34Å; T278-Q282 PolarHBondContact O-N 3.12Å; T278-Q282 VanDerWaalsContact O-N 3.13Å; T278-Y406 HydrophobicContact CG2-CD1 3.94Å; T278-Y406 HydrophobicContact CG2-CG 4.46Å; T278-F408 HydrophobicContact CG2-CD1 3.78Å; T278-F408 HydrophobicContact CG2-CE1 4.39Å; T278-F408 HydrophobicContact CG2-CG 4.45Å
279E96.9Very high95.8Very high81 Ų8160.7 Ų60.738%0.37929%0.293SS..Hα-helixtrans-58.5-47.6173.4-169.8-156.3150.900111.4E275 V277 I281 Q282 N283 K286E275-E279 WeakPolarHBondContact O-CB 3.46Å; E275-E279 PolarHBondContact O-N 3.08Å; V277-E279 PolarHBondContact O-N 3.13Å; E279-I281 PolarHBondContact O-N 3.47Å; E279-Q282 PolarHBondContact O-N 3.02Å; E279-N283 PolarHBondContact O-N 2.9Å; E279-N283 VanDerWaalsContact O-N 3.08Å; E279-N283 PolarHBondContact O-ND2 2.97Å; E279-N283 VanDerWaalsContact O-ND2 3.13Å; E279-N283 PolarHBondContact O-OD1 2.8Å; E279-K286 WeakPolarHBondContact OE1-CE 3.42Å; E279-K286 IonicContact OE1-NZ 2.74Å; E279-K286 PolarHBondContact OE1-NZ 2.84Å
280L97.2Very high95.9Very high21 Ų2167.2 Ų67.211%0.1132%0.315CS..Hα-helixtrans-69.4-31-176.9-71.4171.4000113.1K276 V277 T278 N283 K284 G285 F346 L348K276-L280 HydrophobicContact CG-CD1 3.91Å; K276-L280 WeakPolarHBondContact O-CB 3.21Å; K276-L280 WeakPolarHBondContact O-CD1 3.43Å; K276-L280 WeakPolarHBondContact O-CG 3.17Å; K276-L280 PolarHBondContact O-N 3.26Å; V277-L280 PolarHBondContact O-N 3.05Å; T278-L280 PolarHBondContact O-N 3.02Å; L280-N283 WeakPolarHBondContact CA-OD1 3.22Å; L280-N283 PolarHBondContact O-OD1 2.88Å; L280-K284 CarbonylContact O-C 3.55Å; L280-K284 WeakPolarHBondContact O-CA 3.41Å; L280-K284 PolarHBondContact O-N 3.01Å; L280-G285 PolarHBondContact O-N 3.16Å; L280-F346 HydrophobicContact CB-CD1 3.67Å; L280-F346 HydrophobicContact CB-CD2 4.03Å; L280-F346 HydrophobicContact CB-CE1 3.59Å; L280-F346 HydrophobicContact CB-CE2 3.97Å; L280-F346 HydrophobicContact CB-CG 3.89Å; L280-F346 HydrophobicContact CB-CZ 3.75Å; L280-F346 HydrophobicContact CD1-CB 4.37Å; L280-F346 HydrophobicContact CD1-CD2 3.72Å; L280-F346 HydrophobicContact CD1-CE2 4.11Å; L280-F346 HydrophobicContact CD1-CG 4.02Å; L280-F346 HydrophobicContact CD2-CB 4.43Å; L280-F346 HydrophobicContact CG-CD2 4.45Å; L280-F346 HydrophobicContact CG-CG 4.37Å; L280-F346 WeakPolarHBondContact O-CE1 3.45Å; L280-L348 HydrophobicContact CD1-CD1 4.17Å; L280-L348 HydrophobicContact CD1-CD2 3.66Å; L280-L348 HydrophobicContact CD1-CG 4.06Å
281I96.4Very high95.9Very high28 Ų2873.7 Ų73.714%0.14434%0.339CS..Hα-helixtrans-63.9-51.3170.8-65.6164.7000109.7V277 T278 E279 N283 K284 F346 C367 V369 F408V277-I281 HydrophobicContact CG1-CD1 3.83Å; V277-I281 HydrophobicContact CG1-CG1 4.43Å; V277-I281 VanDerWaalsContact O-CG1 3.23Å; V277-I281 WeakPolarHBondContact O-CG1 3.36Å; V277-I281 PolarHBondContact O-N 3.03Å; T278-I281 PolarHBondContact O-N 3.35Å; E279-I281 PolarHBondContact O-N 3.47Å; I281-N283 VanDerWaalsContact C-N 3.3Å; I281-N283 PolarHBondContact O-N 2.99Å; I281-K284 PolarHBondContact O-N 3.46Å; I281-F346 HydrophobicContact CG1-CZ 4.29Å; I281-C367 HydrophobicContact CG2-CB 4.24Å; I281-V369 HydrophobicContact CD1-CG2 3.33Å; I281-V369 HydrophobicContact CG1-CG2 3.53Å; I281-F408 HydrophobicContact CD1-CB 3.56Å; I281-F408 HydrophobicContact CD1-CD2 4.06Å; I281-F408 HydrophobicContact CD1-CG 3.97Å
282Q95.5Very high95.9Very high167 Ų16772.6 Ų72.678%0.7833%0.333SS*.Hα-helixtrans-60.6-38.6-175.5-72.7176.10.800112.4T278 E279T278-Q282 WeakPolarHBondContact O-CG 3.34Å; T278-Q282 PolarHBondContact O-N 3.12Å; T278-Q282 VanDerWaalsContact O-N 3.13Å; E279-Q282 PolarHBondContact O-N 3.02Å
283N95.6Very high95.9Very high51 Ų5174.1 Ų74.127%0.27334%0.338SS..THydrogen-bonded Turntrans-99.49.4-179.569.331.9000114.3E279 L280 I281 G285 K286E279-N283 PolarHBondContact O-N 2.9Å; E279-N283 VanDerWaalsContact O-N 3.08Å; E279-N283 PolarHBondContact O-ND2 2.97Å; E279-N283 VanDerWaalsContact O-ND2 3.13Å; E279-N283 PolarHBondContact O-OD1 2.8Å; L280-N283 WeakPolarHBondContact CA-OD1 3.22Å; L280-N283 PolarHBondContact O-OD1 2.88Å; I281-N283 VanDerWaalsContact C-N 3.3Å; I281-N283 PolarHBondContact O-N 2.99Å; N283-G285 VanDerWaalsContact C-N 3.3Å; N283-G285 PolarHBondContact O-N 2.59Å; N283-G285 PolarHBondContact OD1-N 3.49Å; N283-G285 VanDerWaalsContact OD1-N 3.12Å; N283-K286 HydrophobicContact CB-CG 4.39Å; N283-K286 WeakPolarHBondContact ND2-CE 3.31Å; N283-K286 WeakPolarHBondContact ND2-CG 3.39Å; N283-K286 WeakPolarHBondContact O-CA 3.23Å; N283-K286 PolarHBondContact O-N 3.41Å; N283-K286 PolarHBondContact OD1-N 2.99Å
284K96.4Very high95.9Very high49 Ų4977.4 Ų77.421%0.21336%0.359CS..G310 helixtrans49.649.1-178.5-60.2172.4178.9161.40112.1L280 I281 K286 V287 L292 V361 E365 C367L280-K284 CarbonylContact O-C 3.55Å; L280-K284 WeakPolarHBondContact O-CA 3.41Å; L280-K284 PolarHBondContact O-N 3.01Å; I281-K284 PolarHBondContact O-N 3.46Å; K284-K286 PolarHBondContact O-N 3.06Å; K284-V287 WeakPolarHBondContact O-CB 3.44Å; K284-V287 WeakPolarHBondContact O-CG2 3.4Å; K284-V287 PolarHBondContact O-N 3.4Å; K284-L292 HydrophobicContact CD-CD2 3.66Å; K284-V361 HydrophobicContact CB-CG2 4.39Å; K284-V361 HydrophobicContact CD-CG2 4.48Å; K284-V361 HydrophobicContact CG-CG2 4.21Å; K284-E365 WeakPolarHBondContact CE-O 3.31Å; K284-E365 VanDerWaalsContact NZ-CB 3.34Å; K284-E365 PolarHBondContact NZ-O 2.88Å; K284-E365 IonicContact NZ-OE2 3.15Å; K284-E365 PolarHBondContact NZ-OE2 2.61Å; K284-C367 HydrophobicContact CG-CB 4.43Å
285G95.3Very high95.9Very high17 Ų1778.1 Ų78.118%0.17536%0.363CS..G310 helixtrans66.121.7179.900000114.6L280 N283 V287L280-G285 PolarHBondContact O-N 3.16Å; N283-G285 VanDerWaalsContact C-N 3.3Å; N283-G285 PolarHBondContact O-N 2.59Å; N283-G285 PolarHBondContact OD1-N 3.49Å; N283-G285 VanDerWaalsContact OD1-N 3.12Å; G285-V287 PolarHBondContact O-N 3.3Å; G285-V287 VanDerWaalsContact O-N 3.17Å
286K95.8Very high95.8Very high142 Ų14274.8 Ų74.862%0.61735%0.348SS*.G310 helixtrans57.324.2-172.7-54.3178.6-178.3176.30112.9E279 N283 K284 K288E279-K286 WeakPolarHBondContact OE1-CE 3.42Å; E279-K286 IonicContact OE1-NZ 2.74Å; E279-K286 PolarHBondContact OE1-NZ 2.84Å; N283-K286 HydrophobicContact CB-CG 4.39Å; N283-K286 WeakPolarHBondContact ND2-CE 3.31Å; N283-K286 WeakPolarHBondContact ND2-CG 3.39Å; N283-K286 WeakPolarHBondContact O-CA 3.23Å; N283-K286 PolarHBondContact O-N 3.41Å; N283-K286 PolarHBondContact OD1-N 2.99Å; K284-K286 PolarHBondContact O-N 3.06Å; K286-K288 PolarHBondContact O-N 2.88Å
287V96.3Very high95.6Very high19 Ų1973.8 Ų73.812%0.11536%0.355CS..  trans-70.7121.6177.1178.70000109.4K284 G285 T289 R291 L292 M295 V345K284-V287 WeakPolarHBondContact O-CB 3.44Å; K284-V287 WeakPolarHBondContact O-CG2 3.4Å; K284-V287 PolarHBondContact O-N 3.4Å; G285-V287 PolarHBondContact O-N 3.3Å; G285-V287 VanDerWaalsContact O-N 3.17Å; V287-T289 PolarHBondContact O-N 2.73Å; V287-R291 HydrophobicContact CG1-CB 4.08Å; V287-R291 HydrophobicContact CG1-CG 4.08Å; V287-L292 HydrophobicContact CG1-CB 4.08Å; V287-M295 HydrophobicContact CG1-SD 4.12Å; V287-V345 HydrophobicContact CG2-CB 4.01Å; V287-V345 HydrophobicContact CG2-CG1 4.26Å; V287-V345 WeakPolarHBondContact CG2-O 3.23Å
288K96.2Very high95.2Very high173 Ų17378.5 Ų78.575%0.75238%0.38SS*.  trans-55.1137.4177.4-64.8-176.1179.7-178.90111.1K286 R290 R291 L292K286-K288 PolarHBondContact O-N 2.88Å; K288-R290 VanDerWaalsContact C-N 3.28Å; K288-R290 PolarHBondContact O-N 3.28Å; K288-R290 VanDerWaalsContact O-N 3.11Å; K288-R291 WeakPolarHBondContact O-CA 3.41Å; K288-R291 WeakPolarHBondContact O-CB 3.34Å; K288-R291 PolarHBondContact O-N 3.44Å; K288-L292 PolarHBondContact O-N 2.88Å
289T95.3Very high94.9Very high93 Ų9379.1 Ų79.157%0.57138%0.382SS*.Hα-helixtrans-50-42.7-177.1-46.40000113.8V287 R291 L292 K293V287-T289 PolarHBondContact O-N 2.73Å; T289-R291 PolarHBondContact O-N 3Å; T289-L292 PolarHBondContact O-N 3.41Å; T289-K293 WeakPolarHBondContact O-CG 3.14Å; T289-K293 PolarHBondContact O-N 2.9Å
290R96.2Very high94.1Very high213 Ų21379.1 Ų79.180%0.80439%0.385SS*.Hα-helixtrans-62.4-43177.3-175.3178.2176.9-177.6-0.5112.1K288 K293 T294K288-R290 VanDerWaalsContact C-N 3.28Å; K288-R290 PolarHBondContact O-N 3.28Å; K288-R290 VanDerWaalsContact O-N 3.11Å; R290-K293 PolarHBondContact O-N 3.23Å; R290-T294 PolarHBondContact O-N 3Å; R290-T294 VanDerWaalsContact O-N 3.15Å; R290-T294 PolarHBondContact O-OG1 3.24Å; R290-T294 VanDerWaalsContact O-OG1 3.13Å
291R96.1Very high93.2Very high139 Ų13983.1 Ų83.153%0.52541%0.41SS..Hα-helixtrans-67-41.1178-177.3176.2-179.6-169.1-3.7110.7V287 K288 T289 T294 M295V287-R291 HydrophobicContact CG1-CB 4.08Å; V287-R291 HydrophobicContact CG1-CG 4.08Å; K288-R291 WeakPolarHBondContact O-CA 3.41Å; K288-R291 WeakPolarHBondContact O-CB 3.34Å; K288-R291 PolarHBondContact O-N 3.44Å; T289-R291 PolarHBondContact O-N 3Å; R291-T294 PolarHBondContact O-N 3.26Å; R291-M295 HydrophobicContact CG-CE 3.87Å; R291-M295 HydrophobicContact CG-SD 4.3Å; R291-M295 VanDerWaalsContact NE-CE 3.27Å; R291-M295 WeakPolarHBondContact O-CG 3.27Å; R291-M295 PolarHBondContact O-N 2.88Å
292L96.1Very high92.5Very high5 Ų585.9 Ų85.93%0.02643%0.432CS..Hα-helixtrans-59.7-48.6175.7-177.663.9000111.2K284 V287 K288 T289 T294 M295 L296 V345 V361K284-L292 HydrophobicContact CD-CD2 3.66Å; V287-L292 HydrophobicContact CG1-CB 4.08Å; K288-L292 PolarHBondContact O-N 2.88Å; T289-L292 PolarHBondContact O-N 3.41Å; L292-T294 VanDerWaalsContact C-N 3.29Å; L292-T294 PolarHBondContact O-N 3.34Å; L292-M295 WeakPolarHBondContact O-CB 3.32Å; L292-M295 PolarHBondContact O-N 3.2Å; L292-L296 HydrophobicContact CD1-CD1 4.17Å; L292-L296 HydrophobicContact CD1-CG 4.19Å; L292-L296 HydrophobicContact CG-CD1 4.02Å; L292-L296 HydrophobicContact CG-CG 4.38Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 3.05Å; L292-V345 HydrophobicContact CD1-CG1 4.1Å; L292-V361 HydrophobicContact CD1-CB 4.4Å; L292-V361 HydrophobicContact CD1-CG1 4.21Å
293K95.4Very high91.9Very high130 Ų13078.3 Ų78.357%0.56540%0.398SS*.Hα-helixtrans-56.5-42.1176-72.9-178.5177.6-173.60112.5T289 R290 L296 S297T289-K293 WeakPolarHBondContact O-CG 3.14Å; T289-K293 PolarHBondContact O-N 2.9Å; R290-K293 PolarHBondContact O-N 3.23Å; K293-L296 PolarHBondContact O-N 2.77Å; K293-S297 WeakPolarHBondContact O-CB 3.38Å; K293-S297 PolarHBondContact O-N 3.41Å; K293-S297 PolarHBondContact O-OG 3.48Å
294T95.3Very high91.6Very high75 Ų7576.3 Ų76.346%0.4639%0.387SS..Hα-helixtrans-65.7-37.6174.9-56.50000112.9R290 R291 L292 S297 N298R290-T294 PolarHBondContact O-N 3Å; R290-T294 VanDerWaalsContact O-N 3.15Å; R290-T294 PolarHBondContact O-OG1 3.24Å; R290-T294 VanDerWaalsContact O-OG1 3.13Å; R291-T294 PolarHBondContact O-N 3.26Å; L292-T294 VanDerWaalsContact C-N 3.29Å; L292-T294 PolarHBondContact O-N 3.34Å; T294-S297 PolarHBondContact O-OG 3.3Å; T294-N298 PolarHBondContact O-ND2 3.41Å
295M94.9Very high91.3Very high16 Ų1675 Ų758%0.07939%0.387CS..Hα-helixtrans-64-45.6175.1-72.3169167.200111V287 R291 L292 N298 K343 I383V287-M295 HydrophobicContact CG1-SD 4.12Å; R291-M295 HydrophobicContact CG-CE 3.87Å; R291-M295 HydrophobicContact CG-SD 4.3Å; R291-M295 VanDerWaalsContact NE-CE 3.27Å; R291-M295 WeakPolarHBondContact O-CG 3.27Å; R291-M295 PolarHBondContact O-N 2.88Å; L292-M295 WeakPolarHBondContact O-CB 3.32Å; L292-M295 PolarHBondContact O-N 3.2Å; M295-N298 PolarHBondContact O-N 3.27Å; M295-K343 HydrophobicContact CB-CB 4.36Å; M295-K343 HydrophobicContact CB-CG 4.08Å; M295-K343 WeakPolarHBondContact O-CE 3.47Å; M295-I383 HydrophobicContact CE-CG2 3.77Å
296L94.2Very high91.1Very high23 Ų2376.2 Ų76.212%0.1239%0.392CS..Hα-helixtrans-72.6-33.2-177.4-63.7-179.2000112.9L292 K293 N298 L299 K343 V361 D362 E365L292-L296 HydrophobicContact CD1-CD1 4.17Å; L292-L296 HydrophobicContact CD1-CG 4.19Å; L292-L296 HydrophobicContact CG-CD1 4.02Å; L292-L296 HydrophobicContact CG-CG 4.38Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 3.05Å; K293-L296 PolarHBondContact O-N 2.77Å; L296-N298 PolarHBondContact O-N 2.93Å; L296-L299 HydrophobicContact CD2-CD2 4.45Å; L296-L299 VanDerWaalsContact O-CB 3.25Å; L296-L299 WeakPolarHBondContact O-CB 3.16Å; L296-L299 PolarHBondContact O-N 2.88Å; L296-K343 HydrophobicContact CD2-CB 4.45Å; L296-K343 HydrophobicContact CD2-CG 4.28Å; L296-V361 HydrophobicContact CD1-CG1 4.37Å; L296-V361 HydrophobicContact CD2-CG1 4.31Å; L296-D362 WeakPolarHBondContact CD1-O 3.4Å; L296-D362 VanDerWaalsContact CD2-O 3.23Å; L296-D362 WeakPolarHBondContact CD2-O 3.43Å; L296-E365 HydrophobicContact CD1-CG 3.92Å
297S91.9Very high91Very high89 Ų8969.4 Ų69.462%0.62236%0.363SS*.Hα-helixtrans-62.8-23.8173.264.90000113K293 T294K293-S297 WeakPolarHBondContact O-CB 3.38Å; K293-S297 PolarHBondContact O-N 3.41Å; K293-S297 PolarHBondContact O-OG 3.48Å; T294-S297 PolarHBondContact O-OG 3.3Å
298N86.9Confident90.8Very high99 Ų9972 Ų7253%0.52938%0.381SS..THydrogen-bonded Turntrans-91.90.9177.4-63.8-12.3000112.7T294 M295 L296 N300T294-N298 PolarHBondContact O-ND2 3.41Å; M295-N298 PolarHBondContact O-N 3.27Å; L296-N298 PolarHBondContact O-N 2.93Å; N298-N300 PolarHBondContact O-N 2.86Å
299L88.2Confident90.7Very high31 Ų3165.8 Ų65.816%0.16236%0.36CS..  trans-82.2100.1175.8-164.365.6000108.4L296 L341 K343L296-L299 HydrophobicContact CD2-CD2 4.45Å; L296-L299 VanDerWaalsContact O-CB 3.25Å; L296-L299 WeakPolarHBondContact O-CB 3.16Å; L296-L299 PolarHBondContact O-N 2.88Å; L299-L341 HydrophobicContact CD1-CD1 3.57Å; L299-L341 HydrophobicContact CD1-CD2 4.17Å; L299-L341 HydrophobicContact CD1-CG 3.67Å; L299-L341 HydrophobicContact CD2-CG 4.28Å; L299-L341 HydrophobicContact CG-CD1 4.43Å; L299-L341 HydrophobicContact CG-CD2 4.2Å; L299-L341 HydrophobicContact CG-CG 4Å; L299-K343 HydrophobicContact CD1-CD 4.18Å; L299-K343 HydrophobicContact CD1-CG 4.09Å
300N81.8Confident90.6Very high81 Ų8166.1 Ų66.143%0.43336%0.363SS..  trans-120.9164-178.464.626000111.3N298 S302 A303N298-N300 PolarHBondContact O-N 2.86Å; N300-S302 VanDerWaalsContact CG-OG 3.28Å; N300-S302 PolarHBondContact ND2-OG 3.35Å; N300-S302 PolarHBondContact O-N 3.38Å; N300-S302 WeakPolarHBondContact OD1-CB 3.32Å; N300-S302 PolarHBondContact OD1-N 2.94Å; N300-S302 PolarHBondContact OD1-OG 3.06Å; N300-A303 VanDerWaalsContact O-CB 3.24Å; N300-A303 WeakPolarHBondContact O-CB 3.41Å; N300-A303 PolarHBondContact O-N 3.47Å; N300-A303 PolarHBondContact OD1-N 3.25Å
301T77.8Confident90.4Very high105 Ų10564 Ų6464%0.64436%0.362SS*.G310 helixtrans-63.6-20-18048.30000113.2A303 L304T301-A303 PolarHBondContact O-N 3.08Å; T301-L304 VanDerWaalsContact O-CB 3.23Å; T301-L304 WeakPolarHBondContact O-CB 3.46Å; T301-L304 WeakPolarHBondContact O-CG 3.2Å; T301-L304 PolarHBondContact O-N 3.35Å; T301-L304 VanDerWaalsContact O-N 3.09Å
302S82.3Confident90.3Very high87 Ų8758.5 Ų58.561%0.60834%0.343SS*.G310 helixtrans-64-24.5173.782.40000112.6N300 L304 G305N300-S302 VanDerWaalsContact CG-OG 3.28Å; N300-S302 PolarHBondContact ND2-OG 3.35Å; N300-S302 PolarHBondContact O-N 3.38Å; N300-S302 WeakPolarHBondContact OD1-CB 3.32Å; N300-S302 PolarHBondContact OD1-N 2.94Å; N300-S302 PolarHBondContact OD1-OG 3.06Å; S302-L304 PolarHBondContact O-N 2.88Å; S302-G305 PolarHBondContact O-N 3.17Å; S302-G305 VanDerWaalsContact O-N 3.11Å
303A83.1Confident90.2Very high8 Ų866.5 Ų66.57%0.06637%0.372CS..G310 helixtrans-66.3-18.1174.800000113.4N300 T301 G305 L341 V388N300-A303 VanDerWaalsContact O-CB 3.24Å; N300-A303 WeakPolarHBondContact O-CB 3.41Å; N300-A303 PolarHBondContact O-N 3.47Å; N300-A303 PolarHBondContact OD1-N 3.25Å; T301-A303 PolarHBondContact O-N 3.08Å; A303-G305 PolarHBondContact O-N 2.74Å; A303-L341 HydrophobicContact CB-CD1 3.98Å; A303-L341 HydrophobicContact CB-CD2 4.4Å; A303-V388 WeakPolarHBondContact O-CG2 3.47Å
304L87.7Confident89.9Confident9 Ų960.5 Ų60.55%0.04735%0.347CS..G310 helixtrans-60.2-25.1172-67.4172.8000112.1T301 S302 C307 P324 A339 L341 V388T301-L304 VanDerWaalsContact O-CB 3.23Å; T301-L304 WeakPolarHBondContact O-CB 3.46Å; T301-L304 WeakPolarHBondContact O-CG 3.2Å; T301-L304 PolarHBondContact O-N 3.35Å; T301-L304 VanDerWaalsContact O-N 3.09Å; S302-L304 PolarHBondContact O-N 2.88Å; L304-C307 HydrophobicContact CB-CB 4.43Å; L304-C307 WeakPolarHBondContact O-CB 3.39Å; L304-C307 PolarHBondContact O-N 2.77Å; L304-P324 HydrophobicContact CD1-CB 4.27Å; L304-P324 HydrophobicContact CD1-CG 4.07Å; L304-P324 HydrophobicContact CD2-CB 4.24Å; L304-A339 HydrophobicContact CD2-CB 4Å; L304-L341 HydrophobicContact CD2-CD2 4.37Å; L304-V388 HydrophobicContact CD2-CG1 4.19Å; L304-V388 HydrophobicContact CD2-CG2 4.44Å
305G90.3Very high89.5Confident20 Ų2060.2 Ų60.221%0.20635%0.347CS..G310 helixtrans49.6-127177.900000111.2S302 A303 C307 S308S302-G305 PolarHBondContact O-N 3.17Å; S302-G305 VanDerWaalsContact O-N 3.11Å; A303-G305 PolarHBondContact O-N 2.74Å; G305-C307 PolarHBondContact O-N 2.99Å; G305-C307 VanDerWaalsContact O-N 3.12Å; G305-S308 PolarHBondContact O-N 2.85Å; G305-S308 VanDerWaalsContact O-N 3.16Å; G305-S308 PolarHBondContact O-OG 3.49Å
306P92.2Very high89.3Confident43 Ų4362.7 Ų62.728%0.27937%0.366SS..G310 helixtrans-52.3-32.7179.3-28.635.5000115.2S308 S309 F312 I420 L425P306-S308 PolarHBondContact O-N 2.84Å; P306-S308 VanDerWaalsContact O-N 3.11Å; P306-S309 VanDerWaalsContact O-CB 3.3Å; P306-S309 WeakPolarHBondContact O-CB 3.39Å; P306-S309 PolarHBondContact O-N 3.46Å; P306-F312 HydrophobicContact CB-CD2 3.78Å; P306-F312 HydrophobicContact CB-CE2 4.03Å; P306-F312 WeakPolarHBondContact O-CB 3.44Å; P306-F312 WeakPolarHBondContact O-CD2 3.28Å; P306-I420 HydrophobicContact CB-CD1 4.43Å; P306-I420 HydrophobicContact CG-CD1 4.46Å; P306-L425 HydrophobicContact CG-CD1 4.29Å; P306-L425 HydrophobicContact CG-CG 4.11Å
307C93.2Very high89.1Confident0 Ų063.4 Ų63.40%038%0.378CS..G310 helixtrans-63.9-17.7-177.7-69.80000114.3L304 G305 S309 F312 S321 L322 I420L304-C307 HydrophobicContact CB-CB 4.43Å; L304-C307 WeakPolarHBondContact O-CB 3.39Å; L304-C307 PolarHBondContact O-N 2.77Å; G305-C307 PolarHBondContact O-N 2.99Å; G305-C307 VanDerWaalsContact O-N 3.12Å; C307-S309 VanDerWaalsContact C-N 3.29Å; C307-F312 WeakPolarHBondContact SG-CZ 3.32Å; C307-S321 WeakPolarHBondContact O-CA 3.38Å; C307-L322 HydrophobicContact CB-CB 4.28Å; C307-L322 HydrophobicContact CB-CD1 4.27Å; C307-L322 HydrophobicContact CB-CG 4.36Å; C307-L322 PolarHBondContact O-N 3.35Å; C307-I420 HydrophobicContact CB-CD1 4.3Å; C307-I420 WeakPolarHBondContact SG-CD1 3.33Å
308S93Very high89.1Confident72 Ų7264.7 Ų64.750%0.50337%0.369SS..G310 helixtrans-77.6-14.7174.964.40000113.3G305 P306 S321G305-S308 PolarHBondContact O-N 2.85Å; G305-S308 VanDerWaalsContact O-N 3.16Å; G305-S308 PolarHBondContact O-OG 3.49Å; P306-S308 PolarHBondContact O-N 2.84Å; P306-S308 VanDerWaalsContact O-N 3.11Å; S308-S321 WeakPolarHBondContact O-CB 3.13Å
309S92.8Very high89.4Confident43 Ų4363.9 Ų63.930%0.30137%0.368SS..SBendtrans-78.4135.4-175.8-179.90000112.2P306 C307 Q311 F312 G320 S321P306-S309 VanDerWaalsContact O-CB 3.3Å; P306-S309 WeakPolarHBondContact O-CB 3.39Å; P306-S309 PolarHBondContact O-N 3.46Å; C307-S309 VanDerWaalsContact C-N 3.29Å; S309-Q311 PolarHBondContact O-N 2.91Å; S309-Q311 VanDerWaalsContact O-N 3.1Å; S309-Q311 PolarHBondContact OG-N 3.3Å; S309-Q311 VanDerWaalsContact OG-N 3.15Å; S309-F312 VanDerWaalsContact O-CB 3.25Å; S309-F312 WeakPolarHBondContact O-CB 3.33Å; S309-F312 PolarHBondContact O-N 3.21Å; S309-G320 CarbonylContact O-C 3.47Å; S309-S321 WeakPolarHBondContact O-CA 3.32Å; S309-S321 PolarHBondContact O-N 3.45Å
310P92.9Very high89.7Confident100 Ų10063 Ų6365%0.64937%0.367SS*.THydrogen-bonded Turntrans-60.2-16.7169.2-22.533.4000114.1G320P310-G320 WeakPolarHBondContact O-CA 3.46Å
311Q93.3Very high90.3Very high168 Ų16862 Ų6279%0.78537%0.366SS*.THydrogen-bonded Turntrans-97.80.9178.7-60.3178.34.500112.7S309 R313S309-Q311 PolarHBondContact O-N 2.91Å; S309-Q311 VanDerWaalsContact O-N 3.1Å; S309-Q311 PolarHBondContact OG-N 3.3Å; S309-Q311 VanDerWaalsContact OG-N 3.15Å; Q311-R313 PolarHBondContact O-N 3.32Å
312F93.2Very high91.1Very high25 Ų2557.3 Ų57.311%0.1134%0.337CS..  trans-60.9130178.3-179-107.1000110.3P306 C307 S309 A314 V319 G320 L322 P390P306-F312 HydrophobicContact CB-CD2 3.78Å; P306-F312 HydrophobicContact CB-CE2 4.03Å; P306-F312 WeakPolarHBondContact O-CB 3.44Å; P306-F312 WeakPolarHBondContact O-CD2 3.28Å; C307-F312 WeakPolarHBondContact SG-CZ 3.32Å; S309-F312 VanDerWaalsContact O-CB 3.25Å; S309-F312 WeakPolarHBondContact O-CB 3.33Å; S309-F312 PolarHBondContact O-N 3.21Å; F312-A314 HydrophobicContact CD1-CB 4.32Å; F312-A314 HydrophobicContact CE1-CB 3.91Å; F312-V319 CarbonylContact O-C 3.56Å; F312-V319 VanDerWaalsContact O-CA 3.29Å; F312-V319 WeakPolarHBondContact O-CA 3.25Å; F312-G320 PolarHBondContact O-N 3.49Å; F312-L322 HydrophobicContact CD1-CD1 4.22Å; F312-L322 HydrophobicContact CD1-CG 4.04Å; F312-L322 HydrophobicContact CE1-CD1 3.71Å; F312-L322 HydrophobicContact CE1-CG 4.06Å; F312-P390 HydrophobicContact CE1-CB 4.31Å; F312-P390 HydrophobicContact CZ-CB 4.24Å; F312-P390 HydrophobicContact CZ-CG 4.19Å
313R93.1Very high91.7Very high172 Ų17257.8 Ų57.865%0.64933%0.33SS*.BIsolated β-bridgetrans-100.4110.1173-175.3178.8-69.2-902.8108.3Q311 R318Q311-R313 PolarHBondContact O-N 3.32Å; R313-R318 CarbonylContact C-O 3.52Å; R313-R318 WeakPolarHBondContact CA-O 3.4Å
314A90.5Very high92.3Very high5 Ų560.2 Ų60.24%0.04135%0.345CS..  trans-73.9163.9178.700000111.7F312 S316 G317 R318 L322 E391F312-A314 HydrophobicContact CD1-CB 4.32Å; F312-A314 HydrophobicContact CE1-CB 3.91Å; A314-S316 PolarHBondContact O-N 3.27Å; A314-G317 WeakPolarHBondContact O-CA 3.46Å; A314-G317 PolarHBondContact O-N 3Å; A314-R318 HydrophobicContact CB-CB 4.28Å; A314-R318 PolarHBondContact N-O 2.76Å; A314-L322 HydrophobicContact CB-CD2 4.32Å; A314-E391 HydrophobicContact CB-CG 4.13Å; A314-E391 WeakPolarHBondContact CB-OE2 3.35Å
315P87.4Confident92.7Very high68 Ų6864.9 Ų64.944%0.44236%0.362SS..THydrogen-bonded Turntrans-58.2-32.5180-2535.8000113.8G317 P390 L418P315-G317 PolarHBondContact O-N 3.19Å; P315-P390 HydrophobicContact CG-CB 4.35Å; P315-L418 HydrophobicContact CB-CD2 4.14Å; P315-L418 HydrophobicContact CG-CD2 3.99Å
316S88.8Confident92.9Very high69 Ų6965.7 Ų65.748%0.48336%0.363SS..THydrogen-bonded Turntrans-67.9-7.8173.661.70000114.6A314 R318 E391A314-S316 PolarHBondContact O-N 3.27Å; S316-R318 VanDerWaalsContact C-N 3.33Å; S316-R318 WeakPolarHBondContact OG-CB 3.38Å; S316-R318 PolarHBondContact OG-N 2.95Å; S316-E391 WeakPolarHBondContact CB-OE2 3.13Å; S316-E391 PolarHBondContact N-OE2 3.31Å; S316-E391 VanDerWaalsContact N-OE2 3.13Å; S316-E391 VanDerWaalsContact OG-CD 3.26Å; S316-E391 PolarHBondContact OG-OE1 2.92Å; S316-E391 PolarHBondContact OG-OE2 3.27Å
317G90Very high93.2Very high37 Ų3763.7 Ų63.738%0.38135%0.35SS..SBendtrans88.9-6.8-172.200000114.1A314 P315A314-G317 WeakPolarHBondContact O-CA 3.46Å; A314-G317 PolarHBondContact O-N 3Å; P315-G317 PolarHBondContact O-N 3.19Å
318R91.9Very high93.3Very high116 Ų11666.3 Ų66.344%0.43837%0.369SS..  trans-56.9135.9173.1172.5179.4164.6165.1-9.2110.6R313 A314 S316 S321 G337R313-R318 CarbonylContact C-O 3.52Å; R313-R318 WeakPolarHBondContact CA-O 3.4Å; A314-R318 HydrophobicContact CB-CB 4.28Å; A314-R318 PolarHBondContact N-O 2.76Å; S316-R318 VanDerWaalsContact C-N 3.33Å; S316-R318 WeakPolarHBondContact OG-CB 3.38Å; S316-R318 PolarHBondContact OG-N 2.95Å; R318-S321 PolarHBondContact NH2-O 3.47Å; R318-G337 VanDerWaalsContact CZ-CA 3.48Å
319V94.7Very high93.5Very high82 Ų8265.6 Ų65.650%0.49736%0.364SS..BIsolated β-bridgetrans-104.9129.2171-178.10000109.1F312F312-V319 CarbonylContact O-C 3.56Å; F312-V319 VanDerWaalsContact O-CA 3.29Å; F312-V319 WeakPolarHBondContact O-CA 3.25Å
320G93.8Very high93.8Very high14 Ų1463.9 Ų63.914%0.14435%0.351CS..SBendtrans146.3166179.200000112.7S309 P310 F312S309-G320 CarbonylContact O-C 3.47Å; P310-G320 WeakPolarHBondContact O-CA 3.46Å; F312-G320 PolarHBondContact O-N 3.49Å
321S94.6Very high94Very high59 Ų5963.4 Ų63.441%0.41335%0.346SS..PPolyproline II helixtrans-65149.6171.953.50000111C307 S308 S309 R318C307-S321 WeakPolarHBondContact O-CA 3.38Å; S308-S321 WeakPolarHBondContact O-CB 3.13Å; S309-S321 WeakPolarHBondContact O-CA 3.32Å; S309-S321 PolarHBondContact O-N 3.45Å; R318-S321 PolarHBondContact NH2-O 3.47Å
322L95.6Very high94.2Very high7 Ų762.1 Ų62.14%0.03734%0.34CS..PPolyproline II helixtrans-99.9141.9174.1-58.3-172.9000110.7C307 F312 A314 G337 A339 P390 E391C307-L322 HydrophobicContact CB-CB 4.28Å; C307-L322 HydrophobicContact CB-CD1 4.27Å; C307-L322 HydrophobicContact CB-CG 4.36Å; C307-L322 PolarHBondContact O-N 3.35Å; F312-L322 HydrophobicContact CD1-CD1 4.22Å; F312-L322 HydrophobicContact CD1-CG 4.04Å; F312-L322 HydrophobicContact CE1-CD1 3.71Å; F312-L322 HydrophobicContact CE1-CG 4.06Å; A314-L322 HydrophobicContact CB-CD2 4.32Å; L322-G337 WeakPolarHBondContact CA-O 3.17Å; L322-A339 HydrophobicContact CB-CB 3.92Å; L322-A339 HydrophobicContact CD1-CB 4.25Å; L322-P390 HydrophobicContact CD1-CB 3.62Å; L322-E391 HydrophobicContact CD1-CG 4.37Å; L322-E391 HydrophobicContact CD2-CG 4.32Å
323E94.4Very high94.3Very high96 Ų9661.8 Ų61.845%0.44934%0.343SS..EExtended strand (participates in β ladder)trans-84.7121.9176.9-170.1-174.5-173.700110.3R325 G337 V338 A339E323-R325 VanDerWaalsContact CD-CZ 3.45Å; E323-R325 VanDerWaalsContact CD-NE 3.28Å; E323-R325 PolarHBondContact O-N 2.67Å; E323-R325 IonicContact OE1-CZ 2.67Å; E323-R325 IonicContact OE1-NE 2.72Å; E323-R325 PolarHBondContact OE1-NE 2.75Å; E323-R325 IonicContact OE1-NH1 3.27Å; E323-R325 IonicContact OE1-NH2 3.78Å; E323-R325 PolarHBondContact OE1-NH2 3.44Å; E323-R325 IonicContact OE2-CZ 3.91Å; E323-R325 VanDerWaalsContact OE2-CZ 3.31Å; E323-R325 IonicContact OE2-NE 3.38Å; E323-R325 PolarHBondContact OE2-NE 3.03Å; E323-R325 VanDerWaalsContact OE2-NE 3.12Å; E323-R325 IonicContact OE2-NH2 3.59Å; E323-R325 PolarHBondContact OE2-NH2 3.48Å; E323-G337 PolarHBondContact N-O 3.17Å; E323-V338 CarbonylContact O-C 3.51Å; E323-V338 WeakPolarHBondContact O-CA 3.33Å; E323-V338 WeakPolarHBondContact O-CB 3.38Å; E323-A339 PolarHBondContact O-N 3.04Å
324P94.6Very high94.5Very high59 Ų5958.7 Ų58.738%0.38334%0.336SS..EExtended strand (participates in β ladder)trans-65129.3172.826.8-32.8000110.5L304 A339L304-P324 HydrophobicContact CD1-CB 4.27Å; L304-P324 HydrophobicContact CD1-CG 4.07Å; L304-P324 HydrophobicContact CD2-CB 4.24Å; P324-A339 WeakPolarHBondContact CA-O 3.37Å
325R95.7Very high94.8Very high108 Ų10859.3 Ų59.341%0.40834%0.339SS..EExtended strand (participates in β ladder)trans-124.4141.8177.2-71.9-66-176.2171-3.5111.5E323 L330 V338 A339E323-R325 VanDerWaalsContact CD-CZ 3.45Å; E323-R325 VanDerWaalsContact CD-NE 3.28Å; E323-R325 PolarHBondContact O-N 2.67Å; E323-R325 IonicContact OE1-CZ 2.67Å; E323-R325 IonicContact OE1-NE 2.72Å; E323-R325 PolarHBondContact OE1-NE 2.75Å; E323-R325 IonicContact OE1-NH1 3.27Å; E323-R325 IonicContact OE1-NH2 3.78Å; E323-R325 PolarHBondContact OE1-NH2 3.44Å; E323-R325 IonicContact OE2-CZ 3.91Å; E323-R325 VanDerWaalsContact OE2-CZ 3.31Å; E323-R325 IonicContact OE2-NE 3.38Å; E323-R325 PolarHBondContact OE2-NE 3.03Å; E323-R325 VanDerWaalsContact OE2-NE 3.12Å; E323-R325 IonicContact OE2-NH2 3.59Å; E323-R325 PolarHBondContact OE2-NH2 3.48Å; R325-L330 HydrophobicContact CB-CD2 4.35Å; R325-V338 HydrophobicContact CB-CB 4.41Å; R325-V338 HydrophobicContact CG-CB 3.88Å; R325-V338 HydrophobicContact CG-CG1 3.77Å; R325-A339 PolarHBondContact N-O 2.96Å
326P95.9Very high95.2Very high37 Ų3758 Ų5824%0.2434%0.338CS..  trans-57.9145.3170.5-21.632.3000111.2S328 S329 D362 E364P326-S328 PolarHBondContact O-N 3.25Å; P326-S329 WeakPolarHBondContact O-CB 3.48Å; P326-S329 PolarHBondContact O-N 3.11Å; P326-S329 PolarHBondContact O-OG 2.84Å; P326-D362 WeakPolarHBondContact CA-OD2 3.44Å; P326-E364 VanDerWaalsContact CB-CD 3.48Å; P326-E364 HydrophobicContact CB-CG 4.22Å; P326-E364 WeakPolarHBondContact CG-OE1 3.37Å
327L97.4Very high95.5Very high1 Ų155 Ų551%0.00532%0.317CS..G310 helixtrans-61.1-32.8179.8-73.4-172.7000112.9S329 L330 A340 M360 D362 T366 L368 I411L327-S329 VanDerWaalsContact C-N 3.26Å; L327-S329 PolarHBondContact O-N 3.31Å; L327-L330 HydrophobicContact CD2-CD1 3.87Å; L327-L330 PolarHBondContact O-N 2.84Å; L327-A340 HydrophobicContact CD2-CB 3.79Å; L327-M360 HydrophobicContact CD1-CE 4.08Å; L327-M360 HydrophobicContact CD1-CG 4.12Å; L327-M360 HydrophobicContact CD2-CE 3.4Å; L327-M360 VanDerWaalsContact CD2-CE 3.4Å; L327-M360 HydrophobicContact CD2-SD 4.5Å; L327-M360 HydrophobicContact CG-CE 4.4Å; L327-D362 HydrophobicContact CB-CB 4.29Å; L327-D362 VanDerWaalsContact CB-OD2 3.28Å; L327-D362 WeakPolarHBondContact CB-OD2 3.4Å; L327-D362 HydrophobicContact CD1-CB 3.78Å; L327-D362 HydrophobicContact CG-CB 3.73Å; L327-D362 PolarHBondContact N-OD2 3.05Å; L327-T366 HydrophobicContact CB-CG2 3.84Å; L327-T366 WeakPolarHBondContact CD1-O 3.42Å; L327-L368 HydrophobicContact CB-CD1 3.48Å; L327-L368 VanDerWaalsContact CB-CD1 3.48Å; L327-L368 HydrophobicContact CD1-CD1 3.99Å; L327-L368 HydrophobicContact CD2-CD1 4.26Å; L327-L368 HydrophobicContact CG-CD1 4.09Å; L327-I411 HydrophobicContact CD2-CD1 4.39Å
328S96.9Very high95.8Very high55 Ų5554.2 Ų54.239%0.38531%0.305SS..G310 helixtrans-61.4-33174.861.30000112.9P326 E364P326-S328 PolarHBondContact O-N 3.25Å; S328-E364 PolarHBondContact OG-OE2 3.33Å
329S97.1Very high96Very high57 Ų5748.7 Ų48.740%0.39928%0.284SS..G310 helixtrans-84.1-11.9-174.975.10000114.4P326 L327P326-S329 WeakPolarHBondContact O-CB 3.48Å; P326-S329 PolarHBondContact O-N 3.11Å; P326-S329 PolarHBondContact O-OG 2.84Å; L327-S329 VanDerWaalsContact C-N 3.26Å; L327-S329 PolarHBondContact O-N 3.31Å
330L97.6Very high96.2Very high7 Ų744.8 Ų44.84%0.03726%0.26CS..PPolyproline II helixtrans-68.3134.7-179.6-60.7176.7000111.2R325 L327 N335 V338 A340 P392 V394 I411R325-L330 HydrophobicContact CB-CD2 4.35Å; L327-L330 HydrophobicContact CD2-CD1 3.87Å; L327-L330 PolarHBondContact O-N 2.84Å; L330-N335 HydrophobicContact CD2-CB 4.41Å; L330-V338 HydrophobicContact CD2-CG2 4.18Å; L330-A340 HydrophobicContact CD1-CB 3.98Å; L330-P392 HydrophobicContact CD1-CB 4.48Å; L330-P392 HydrophobicContact CD1-CG 4Å; L330-P392 HydrophobicContact CD2-CG 3.9Å; L330-V394 HydrophobicContact CB-CG2 3.82Å; L330-V394 HydrophobicContact CD1-CG2 4.01Å; L330-I411 HydrophobicContact CD1-CD1 4Å
331T96.9Very high96.3Very high89 Ų8945.1 Ų45.155%0.54626%0.259SS..PPolyproline II helixtrans-96.7158.418061.30000111.1N335 V394T331-N335 PolarHBondContact N-OD1 3.34Å; T331-N335 PolarHBondContact O-ND2 2.9Å; T331-N335 PolarHBondContact O-OD1 3.43Å; T331-N335 PolarHBondContact OG1-OD1 2.8Å; T331-V394 WeakPolarHBondContact O-CB 3.43Å
332H97.3Very high96.4Very high141 Ų14142.3 Ų42.365%0.65324%0.239SC*.SBendtrans-61.5138.5176.4177.757.8000111.3V394H332-V394 WeakPolarHBondContact CA-O 3.45Å; H332-V394 PolarHBondContact ND1-O 2.88Å
333G96.8Very high96.5Very high18 Ų1842.8 Ų42.819%0.18624%0.241CC..EExtended strand (participates in β ladder)trans91.5-159.1-176.800000112.7N335 N393 V394G333-N335 PolarHBondContact O-ND2 3.27Å; G333-N393 VanDerWaalsContact C-OD1 3.23Å; G333-N393 CarbonylContact O-C 3.54Å; G333-N393 WeakPolarHBondContact O-CA 3.3Å; G333-N393 PolarHBondContact O-OD1 2.95Å; G333-V394 PolarHBondContact N-O 3.42Å; G333-V394 PolarHBondContact O-N 3.26Å
334H96.6Very high96.7Very high108 Ų10838.2 Ų38.250%0.522%0.22SC..EExtended strand (participates in β ladder)trans-75.8122.8-177.5178.572.6000111.5E391H334-E391 IonicContact CE1-OE2 2.73Å
335N97.4Very high96.8Very high18 Ų1835.4 Ų35.410%0.09620%0.201CC..  trans-101.290.1175.2-62.9-101.2000109L330 T331 G333 V338 E391 P392L330-N335 HydrophobicContact CD2-CB 4.41Å; T331-N335 PolarHBondContact N-OD1 3.34Å; T331-N335 PolarHBondContact O-ND2 2.9Å; T331-N335 PolarHBondContact O-OD1 3.43Å; T331-N335 PolarHBondContact OG1-OD1 2.8Å; G333-N335 PolarHBondContact O-ND2 3.27Å; N335-V338 HydrophobicContact CB-CG2 3.56Å; N335-V338 WeakPolarHBondContact O-CG2 3.24Å; N335-E391 CarbonylContact O-C 3.55Å; N335-E391 WeakPolarHBondContact O-CA 3.5Å; N335-P392 HydrophobicContact CB-CG 4.13Å; N335-P392 PolarHBondContact N-O 3.15Å; N335-P392 PolarHBondContact ND2-O 3.39Å
336G96.1Very high96.9Very high41 Ų4130.6 Ų30.642%0.42318%0.184SC..THydrogen-bonded Turntrans-71.5143-17700000113.3V338G336-V338 VanDerWaalsContact C-N 3.26Å; G336-V338 PolarHBondContact O-N 3.39Å
337G95.2Very high96.9Very high4 Ų431.1 Ų31.14%0.04119%0.188CC..THydrogen-bonded Turntrans76.51.2176.100000117.6R318 L322 E323 E391R318-G337 VanDerWaalsContact CZ-CA 3.48Å; L322-G337 WeakPolarHBondContact CA-O 3.17Å; E323-G337 PolarHBondContact N-O 3.17Å; G337-E391 PolarHBondContact N-OE1 3.32Å
338V96.2Very high96.5Very high21 Ų2131.6 Ų31.613%0.12719%0.19CC..EExtended strand (participates in β ladder)trans-116.5159.3-178-52.20000111.1E323 R325 L330 N335 G336 E391 P392E323-V338 CarbonylContact O-C 3.51Å; E323-V338 WeakPolarHBondContact O-CA 3.33Å; E323-V338 WeakPolarHBondContact O-CB 3.38Å; R325-V338 HydrophobicContact CB-CB 4.41Å; R325-V338 HydrophobicContact CG-CB 3.88Å; R325-V338 HydrophobicContact CG-CG1 3.77Å; L330-V338 HydrophobicContact CD2-CG2 4.18Å; N335-V338 HydrophobicContact CB-CG2 3.56Å; N335-V338 WeakPolarHBondContact O-CG2 3.24Å; G336-V338 VanDerWaalsContact C-N 3.26Å; G336-V338 PolarHBondContact O-N 3.39Å; V338-E391 WeakPolarHBondContact O-CA 3.41Å; V338-E391 PolarHBondContact O-N 3.49Å; V338-P392 HydrophobicContact CG2-CG 4.32Å
339A96.4Very high95.4Very high0 Ų032.5 Ų32.50%020%0.201CC..EExtended strand (participates in β ladder)trans-123127.3174.100000109.9L304 L322 E323 P324 R325 V388L304-A339 HydrophobicContact CD2-CB 4Å; L322-A339 HydrophobicContact CB-CB 3.92Å; L322-A339 HydrophobicContact CD1-CB 4.25Å; E323-A339 PolarHBondContact O-N 3.04Å; P324-A339 WeakPolarHBondContact CA-O 3.37Å; R325-A339 PolarHBondContact N-O 2.96Å; A339-V388 HydrophobicContact CB-CG1 3.8Å
340A97.1Very high93.4Very high0 Ų032.7 Ų32.70%020%0.203CC..EExtended strand (participates in β ladder)trans-85.1127.9168.200000109.1L327 L330 M360 V388 V389 P392 I411L327-A340 HydrophobicContact CD2-CB 3.79Å; L330-A340 HydrophobicContact CD1-CB 3.98Å; A340-M360 HydrophobicContact CB-CE 4.15Å; A340-V388 CarbonylContact O-C 3.59Å; A340-V388 VanDerWaalsContact O-CA 3.23Å; A340-V388 WeakPolarHBondContact O-CA 3.45Å; A340-V389 HydrophobicContact CB-CB 4.3Å; A340-V389 PolarHBondContact N-O 3.36Å; A340-V389 PolarHBondContact O-N 3.47Å; A340-P392 HydrophobicContact CB-CB 4.26Å; A340-P392 HydrophobicContact CB-CG 4Å; A340-I411 HydrophobicContact CB-CD1 4.06Å
341L96.3Very high91.2Very high21 Ų2141.7 Ų41.711%0.1124%0.244CC..EExtended strand (participates in β ladder)trans-126.3127.6-178.8171.257.4000110L299 A303 L304 V387 V388L299-L341 HydrophobicContact CD1-CD1 3.57Å; L299-L341 HydrophobicContact CD1-CD2 4.17Å; L299-L341 HydrophobicContact CD1-CG 3.67Å; L299-L341 HydrophobicContact CD2-CG 4.28Å; L299-L341 HydrophobicContact CG-CD1 4.43Å; L299-L341 HydrophobicContact CG-CD2 4.2Å; L299-L341 HydrophobicContact CG-CG 4Å; A303-L341 HydrophobicContact CB-CD1 3.98Å; A303-L341 HydrophobicContact CB-CD2 4.4Å; L304-L341 HydrophobicContact CD2-CD2 4.37Å; L341-V387 WeakPolarHBondContact CA-O 3.41Å; L341-V388 HydrophobicContact CD1-CG2 3.93Å
342G97.1Very high89.3Confident0 Ų040.8 Ų40.80%025%0.253CS..EExtended strand (participates in β ladder)trans-154.7174.2178.100000114.2V361 S386 V387G342-V361 CarbonylContact C-O 3.52Å; G342-V361 VanDerWaalsContact CA-O 3.25Å; G342-V361 WeakPolarHBondContact CA-O 3.2Å; G342-S386 WeakPolarHBondContact O-CA 3.44Å; G342-V387 PolarHBondContact N-O 3.42Å; G342-V387 PolarHBondContact O-N 3.44Å
343K97.7Very high88Confident17 Ų1737.2 Ų37.27%0.07423%0.234CC..EExtended strand (participates in β ladder)trans-101.6132.6172.5-72.4-61.2-159.71750110.8M295 L296 L299 V345 M360 V361 G384 D385 S386M295-K343 HydrophobicContact CB-CB 4.36Å; M295-K343 HydrophobicContact CB-CG 4.08Å; M295-K343 WeakPolarHBondContact O-CE 3.47Å; L296-K343 HydrophobicContact CD2-CB 4.45Å; L296-K343 HydrophobicContact CD2-CG 4.28Å; L299-K343 HydrophobicContact CD1-CD 4.18Å; L299-K343 HydrophobicContact CD1-CG 4.09Å; K343-V345 PolarHBondContact O-N 2.96Å; K343-M360 CarbonylContact O-C 3.59Å; K343-M360 VanDerWaalsContact O-CA 3.22Å; K343-M360 WeakPolarHBondContact O-CA 3.32Å; K343-V361 PolarHBondContact N-O 3.31Å; K343-V361 PolarHBondContact O-N 3.12Å; K343-G384 WeakPolarHBondContact CD-O 3.27Å; K343-G384 PolarHBondContact NZ-O 3.2Å; K343-D385 WeakPolarHBondContact CA-O 3.28Å; K343-D385 WeakPolarHBondContact CD-O 3.37Å; K343-S386 WeakPolarHBondContact CE-OG 3.43Å; K343-S386 PolarHBondContact NZ-OG 3.36Å
344V98Very high87.1Confident0 Ų037.4 Ų37.40%023%0.23CC..EExtended strand (participates in β ladder)trans-67.2127.5175.4-178.60000109.9F358 G359 V381 L382 G384 D385 V387V344-F358 HydrophobicContact CG1-CB 4.3Å; V344-F358 HydrophobicContact CG1-CD2 4.3Å; V344-F358 HydrophobicContact CG2-CD2 3.98Å; V344-F358 HydrophobicContact CG2-CE2 4.18Å; V344-G359 CarbonylContact C-O 3.5Å; V344-G359 WeakPolarHBondContact CA-O 3.45Å; V344-V381 HydrophobicContact CG1-CG2 4.1Å; V344-V381 HydrophobicContact CG2-CB 4.11Å; V344-V381 HydrophobicContact CG2-CG2 3.75Å; V344-L382 VanDerWaalsContact CB-O 3.31Å; V344-L382 WeakPolarHBondContact CB-O 3.48Å; V344-G384 PolarHBondContact O-N 2.84Å; V344-D385 HydrophobicContact CG2-CB 4.1Å; V344-D385 PolarHBondContact N-O 2.89Å; V344-V387 HydrophobicContact CG2-CG2 3.56Å
345V98Very high86.8Confident0 Ų033 Ų330%021%0.212CC..EExtended strand (participates in β ladder)trans-114.5-24.7-178.8-70.50000113.9V287 L292 K343 G359 V361V287-V345 HydrophobicContact CG2-CB 4.01Å; V287-V345 HydrophobicContact CG2-CG1 4.26Å; V287-V345 WeakPolarHBondContact CG2-O 3.23Å; L292-V345 HydrophobicContact CD1-CG1 4.1Å; K343-V345 PolarHBondContact O-N 2.96Å; V345-G359 WeakPolarHBondContact CG2-O 3.25Å; V345-G359 PolarHBondContact N-O 2.77Å; V345-V361 HydrophobicContact CB-CG2 4.27Å; V345-V361 HydrophobicContact CG1-CB 4.04Å; V345-V361 HydrophobicContact CG1-CG2 3.58Å; V345-V361 HydrophobicContact CG2-CG2 3.7Å
346F97.2Very high86.6Confident8 Ų833.2 Ų33.24%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-152.6159.417063.9-96.1000109.6L280 I281 L348 F358 G359 V369L280-F346 HydrophobicContact CB-CD1 3.67Å; L280-F346 HydrophobicContact CB-CD2 4.03Å; L280-F346 HydrophobicContact CB-CE1 3.59Å; L280-F346 HydrophobicContact CB-CE2 3.97Å; L280-F346 HydrophobicContact CB-CG 3.89Å; L280-F346 HydrophobicContact CB-CZ 3.75Å; L280-F346 HydrophobicContact CD1-CB 4.37Å; L280-F346 HydrophobicContact CD1-CD2 3.72Å; L280-F346 HydrophobicContact CD1-CE2 4.11Å; L280-F346 HydrophobicContact CD1-CG 4.02Å; L280-F346 HydrophobicContact CD2-CB 4.43Å; L280-F346 HydrophobicContact CG-CD2 4.45Å; L280-F346 HydrophobicContact CG-CG 4.37Å; L280-F346 WeakPolarHBondContact O-CE1 3.45Å; I281-F346 HydrophobicContact CG1-CZ 4.29Å; F346-L348 HydrophobicContact CD2-CG 4.27Å; F346-L348 HydrophobicContact CE2-CD1 4.42Å; F346-L348 HydrophobicContact CE2-CG 4.42Å; F346-F358 VanDerWaalsContact O-CA 3.3Å; F346-F358 WeakPolarHBondContact O-CA 3.03Å; F346-F358 VanDerWaalsContact O-CB 3.24Å; F346-F358 WeakPolarHBondContact O-CB 3.22Å; F346-G359 VanDerWaalsContact CE1-CA 3.44Å; F346-G359 VanDerWaalsContact CE2-N 3.35Å; F346-G359 VanDerWaalsContact CZ-CA 3.42Å; F346-G359 PolarHBondContact O-N 2.84Å; F346-V369 HydrophobicContact CZ-CG2 4.32Å
347S95.1Very high86.6Confident48 Ų4831.4 Ų31.434%0.33619%0.193SC..EExtended strand (participates in β ladder)trans-130.9148.7166.457.90000109.8
348L90.4Very high86.7Confident10 Ų1031.2 Ų31.25%0.05219%0.191CC..EExtended strand (participates in β ladder)trans-121.288.3172.4-65.1178000106.2Y273 K276 V277 L280 F346 T357Y273-L348 HydrophobicContact CD2-CD1 4.33Å; Y273-L348 HydrophobicContact CE2-CD1 4.2Å; K276-L348 HydrophobicContact CD-CD2 3.58Å; K276-L348 HydrophobicContact CG-CD1 4.43Å; K276-L348 HydrophobicContact CG-CD2 3.98Å; V277-L348 HydrophobicContact CG2-CD1 3.44Å; V277-L348 VanDerWaalsContact CG2-CD1 3.44Å; L280-L348 HydrophobicContact CD1-CD1 4.17Å; L280-L348 HydrophobicContact CD1-CD2 3.66Å; L280-L348 HydrophobicContact CD1-CG 4.06Å; F346-L348 HydrophobicContact CD2-CG 4.27Å; F346-L348 HydrophobicContact CE2-CD1 4.42Å; F346-L348 HydrophobicContact CE2-CG 4.42Å; L348-T357 PolarHBondContact N-O 3.11Å; L348-T357 PolarHBondContact O-N 3.11Å
349A72.3Confident86.8Confident74 Ų7430.2 Ų30.261%0.61219%0.185SC*.  trans-83.8136.4162.200000107.9F356A349-F356 HydrophobicContact CB-CE2 4.16Å
350S55.7Low86.9Confident61 Ų6130.2 Ų30.243%0.42719%0.185SC..  trans-164.6145.1154.863.60000112.5R353S350-R353 VanDerWaalsContact OG-CD 3.23Å; S350-R353 WeakPolarHBondContact OG-CD 3.28Å; S350-R353 PolarHBondContact OG-NE 3Å; S350-R353 VanDerWaalsContact OG-NE 3.16Å
351Q52.1Low86.9Confident196 Ų19630.2 Ų30.292%0.91619%0.185SC*.THydrogen-bonded Turntrans-38.1135.1165.9-68.2172.2-20.100112.2
352G57.4Low86.9Confident71 Ų7129.3 Ų29.373%0.73218%0.181SC*.THydrogen-bonded Turntrans80.511171.100000117.1
353R68.3Low86.7Confident66 Ų6633.6 Ų33.625%0.24921%0.211CC..  trans-107152.5179-63.7-168.7177.8174-3.5113.2S350 A355S350-R353 VanDerWaalsContact OG-CD 3.23Å; S350-R353 WeakPolarHBondContact OG-CD 3.28Å; S350-R353 PolarHBondContact OG-NE 3Å; S350-R353 VanDerWaalsContact OG-NE 3.16Å; R353-A355 PolarHBondContact O-N 2.91Å
354M78.9Confident86.6Confident22 Ų2237.9 Ų37.911%0.10823%0.231CC..SBendtrans-75.7-19.3-174.6-67.6-178.9176.500114.8N235 Y238 Y239 Y373 V436N235-M354 WeakPolarHBondContact O-CE 3.37Å; Y238-M354 HydrophobicContact CD1-CE 3.57Å; Y238-M354 HydrophobicContact CD1-CG 3.9Å; Y238-M354 HydrophobicContact CD1-SD 3.28Å; Y238-M354 WeakPolarHBondContact CD1-SD 3.31Å; Y238-M354 HydrophobicContact CE1-CB 4.26Å; Y238-M354 HydrophobicContact CE1-CE 4.32Å; Y238-M354 HydrophobicContact CE1-CG 3.79Å; Y238-M354 HydrophobicContact CE1-SD 3.81Å; Y238-M354 HydrophobicContact CG-CE 4.47Å; Y238-M354 HydrophobicContact CG-SD 4.05Å; Y239-M354 WeakPolarHBondContact CA-SD 3.28Å; Y239-M354 VanDerWaalsContact CB-SD 3.53Å; Y239-M354 HydrophobicContact CD2-CB 4.38Å; Y239-M354 HydrophobicContact CD2-CG 4.45Å; Y239-M354 HydrophobicContact CD2-SD 3.85Å; Y239-M354 HydrophobicContact CG-SD 4.19Å; Y239-M354 PolarHBondContact N-SD 3.02Å; Y239-M354 VanDerWaalsContact N-SD 3.4Å; M354-Y373 HydrophobicContact CB-CE1 4.03Å; M354-Y373 VanDerWaalsContact O-CD1 3.28Å; M354-Y373 WeakPolarHBondContact O-CD1 3.23Å; M354-V436 HydrophobicContact CE-CG2 3.98Å
355A90.1Very high86.4Confident15 Ų1541.5 Ų41.512%0.12425%0.248CC..EExtended strand (participates in β ladder)trans-145.8143.4-177.200000112.6R353 T357 M371 V372 Y373R353-A355 PolarHBondContact O-N 2.91Å; A355-T357 PolarHBondContact O-N 2.84Å; A355-M371 HydrophobicContact CB-CB 4.28Å; A355-V372 CarbonylContact C-O 3.53Å; A355-V372 VanDerWaalsContact CA-O 3.25Å; A355-V372 WeakPolarHBondContact CA-O 3.39Å; A355-V372 WeakPolarHBondContact CB-O 2.99Å; A355-Y373 HydrophobicContact CB-CD1 3.98Å; A355-Y373 HydrophobicContact CB-CD2 3.94Å; A355-Y373 HydrophobicContact CB-CE1 3.86Å; A355-Y373 HydrophobicContact CB-CE2 3.77Å; A355-Y373 HydrophobicContact CB-CG 4.03Å
356F93.8Very high86.4Confident23 Ų2343.5 Ų43.510%0.10126%0.26CS..EExtended strand (participates in β ladder)trans-73.1122.3164.7-177.7-85.4000109A349 F358 V372 T375 W379 V381A349-F356 HydrophobicContact CB-CE2 4.16Å; F356-F358 AromaticContact CD1-CD1 3.91Å; F356-F358 HydrophobicContact CD1-CD1 3.91Å; F356-F358 HydrophobicContact CE1-CB 4.13Å; F356-F358 AromaticContact CE1-CD1 3.78Å; F356-F358 HydrophobicContact CE1-CD1 3.78Å; F356-F358 HydrophobicContact CE1-CG 4.38Å; F356-V372 PolarHBondContact N-O 3.17Å; F356-V372 PolarHBondContact O-N 2.85Å; F356-T375 HydrophobicContact CB-CG2 3.99Å; F356-W379 HydrophobicContact CB-CE3 4.29Å; F356-W379 HydrophobicContact CB-CZ3 3.94Å; F356-W379 HydrophobicContact CD1-CE3 4.36Å; F356-W379 HydrophobicContact CD1-CH2 4.37Å; F356-W379 AromaticContact CD1-CZ3 3.6Å; F356-W379 HydrophobicContact CD1-CZ3 3.6Å; F356-W379 HydrophobicContact CE1-CZ3 4.27Å; F356-W379 HydrophobicContact CG-CE3 4.18Å; F356-W379 AromaticContact CG-CZ3 3.8Å; F356-W379 HydrophobicContact CG-CZ3 3.8Å; F356-V381 HydrophobicContact CE1-CG2 3.87Å; F356-V381 HydrophobicContact CZ-CG2 4.44Å
357T95.5Very high86.4Confident2 Ų244.1 Ų44.11%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-111.8133.7-174.7-58.50000110.6Y273 V277 L348 A355 V369 V370 M371Y273-T357 HydrophobicContact CE2-CG2 4.15Å; Y273-T357 WeakPolarHBondContact OH-CG2 3.08Å; Y273-T357 PolarHBondContact OH-OG1 3.18Å; V277-T357 HydrophobicContact CG2-CG2 4.37Å; L348-T357 PolarHBondContact N-O 3.11Å; L348-T357 PolarHBondContact O-N 3.11Å; A355-T357 PolarHBondContact O-N 2.84Å; T357-V369 HydrophobicContact CG2-CG1 3.35Å; T357-V370 WeakPolarHBondContact CA-O 3.1Å; T357-M371 HydrophobicContact CG2-CG 4.45Å
358F97.6Very high86.5Confident0 Ų042 Ų420%025%0.25CS..EExtended strand (participates in β ladder)trans-141.9155.3170.665.5-89.7000111.7V344 F346 F356 M360 V369 V370 V372 V381 V387 L419V344-F358 HydrophobicContact CG1-CB 4.3Å; V344-F358 HydrophobicContact CG1-CD2 4.3Å; V344-F358 HydrophobicContact CG2-CD2 3.98Å; V344-F358 HydrophobicContact CG2-CE2 4.18Å; F346-F358 VanDerWaalsContact O-CA 3.3Å; F346-F358 WeakPolarHBondContact O-CA 3.03Å; F346-F358 VanDerWaalsContact O-CB 3.24Å; F346-F358 WeakPolarHBondContact O-CB 3.22Å; F356-F358 AromaticContact CD1-CD1 3.91Å; F356-F358 HydrophobicContact CD1-CD1 3.91Å; F356-F358 HydrophobicContact CE1-CB 4.13Å; F356-F358 AromaticContact CE1-CD1 3.78Å; F356-F358 HydrophobicContact CE1-CD1 3.78Å; F356-F358 HydrophobicContact CE1-CG 4.38Å; F358-M360 HydrophobicContact CE2-CB 4.27Å; F358-V369 CarbonylContact O-C 3.52Å; F358-V369 WeakPolarHBondContact O-CA 3.41Å; F358-V370 HydrophobicContact CD1-CB 4.17Å; F358-V370 HydrophobicContact CD2-CB 4.19Å; F358-V370 HydrophobicContact CD2-CG2 4.34Å; F358-V370 HydrophobicContact CE1-CB 3.71Å; F358-V370 HydrophobicContact CE1-CG1 3.75Å; F358-V370 HydrophobicContact CE2-CB 3.7Å; F358-V370 HydrophobicContact CE2-CG1 4.32Å; F358-V370 HydrophobicContact CE2-CG2 3.67Å; F358-V370 HydrophobicContact CG-CB 4.4Å; F358-V370 HydrophobicContact CZ-CB 3.44Å; F358-V370 VanDerWaalsContact CZ-CB 3.44Å; F358-V370 HydrophobicContact CZ-CG1 3.58Å; F358-V370 HydrophobicContact CZ-CG2 3.79Å; F358-V370 PolarHBondContact N-O 2.88Å; F358-V370 PolarHBondContact O-N 3.05Å; F358-V372 HydrophobicContact CD1-CG2 4.29Å; F358-V372 HydrophobicContact CE1-CG2 3.62Å; F358-V381 HydrophobicContact CB-CG2 4.09Å; F358-V381 HydrophobicContact CD1-CG2 3.66Å; F358-V381 HydrophobicContact CD2-CG2 4.05Å; F358-V381 HydrophobicContact CE1-CG2 4Å; F358-V381 HydrophobicContact CE2-CG2 4.38Å; F358-V381 HydrophobicContact CG-CG2 3.67Å; F358-V381 HydrophobicContact CZ-CG2 4.36Å; F358-V387 HydrophobicContact CE2-CB 4.39Å; F358-V387 HydrophobicContact CE2-CG1 4.29Å; F358-V387 HydrophobicContact CE2-CG2 4.25Å; F358-V387 HydrophobicContact CZ-CB 4.5Å; F358-V387 HydrophobicContact CZ-CG1 3.95Å; F358-V387 HydrophobicContact CZ-CG2 4.39Å; F358-L419 HydrophobicContact CE1-CD1 4.43Å
359G98.1Very high86.9Confident0 Ų041.6 Ų41.60%025%0.248CC..EExtended strand (participates in β ladder)trans-94.8137.3171.100000110.5V344 V345 F346 L368V344-G359 CarbonylContact C-O 3.5Å; V344-G359 WeakPolarHBondContact CA-O 3.45Å; V345-G359 WeakPolarHBondContact CG2-O 3.25Å; V345-G359 PolarHBondContact N-O 2.77Å; F346-G359 VanDerWaalsContact CE1-CA 3.44Å; F346-G359 VanDerWaalsContact CE2-N 3.35Å; F346-G359 VanDerWaalsContact CZ-CA 3.42Å; F346-G359 PolarHBondContact O-N 2.84Å; G359-L368 WeakPolarHBondContact CA-O 3.2Å
360M97.2Very high88.1Confident0 Ų038 Ų380%022%0.219CC..EExtended strand (participates in β ladder)trans-122.1147.5169.768.6171.7177.500111.8L327 A340 K343 F358 C367 L368 V370 V389 I411L327-M360 HydrophobicContact CD1-CE 4.08Å; L327-M360 HydrophobicContact CD1-CG 4.12Å; L327-M360 HydrophobicContact CD2-CE 3.4Å; L327-M360 VanDerWaalsContact CD2-CE 3.4Å; L327-M360 HydrophobicContact CD2-SD 4.5Å; L327-M360 HydrophobicContact CG-CE 4.4Å; A340-M360 HydrophobicContact CB-CE 4.15Å; K343-M360 CarbonylContact O-C 3.59Å; K343-M360 VanDerWaalsContact O-CA 3.22Å; K343-M360 WeakPolarHBondContact O-CA 3.32Å; F358-M360 HydrophobicContact CE2-CB 4.27Å; M360-C367 WeakPolarHBondContact O-CA 3.45Å; M360-L368 PolarHBondContact N-O 2.97Å; M360-L368 PolarHBondContact O-N 3.19Å; M360-V370 HydrophobicContact CE-CG2 3.7Å; M360-V370 HydrophobicContact CG-CG2 3.91Å; M360-V370 HydrophobicContact SD-CG2 3.84Å; M360-V389 HydrophobicContact CE-CG2 4.49Å; M360-I411 HydrophobicContact CE-CD1 3.27Å; M360-I411 HydrophobicContact CE-CG1 4.32Å
361V97.8Very high90Very high0 Ų035.2 Ų35.20%020%0.199CC..EExtended strand (participates in β ladder)trans-123.3134.5178.1179.90000110.1K284 L292 L296 G342 K343 V345 E365 T366 C367K284-V361 HydrophobicContact CB-CG2 4.39Å; K284-V361 HydrophobicContact CD-CG2 4.48Å; K284-V361 HydrophobicContact CG-CG2 4.21Å; L292-V361 HydrophobicContact CD1-CB 4.4Å; L292-V361 HydrophobicContact CD1-CG1 4.21Å; L296-V361 HydrophobicContact CD1-CG1 4.37Å; L296-V361 HydrophobicContact CD2-CG1 4.31Å; G342-V361 CarbonylContact C-O 3.52Å; G342-V361 VanDerWaalsContact CA-O 3.25Å; G342-V361 WeakPolarHBondContact CA-O 3.2Å; K343-V361 PolarHBondContact N-O 3.31Å; K343-V361 PolarHBondContact O-N 3.12Å; V345-V361 HydrophobicContact CB-CG2 4.27Å; V345-V361 HydrophobicContact CG1-CB 4.04Å; V345-V361 HydrophobicContact CG1-CG2 3.58Å; V345-V361 HydrophobicContact CG2-CG2 3.7Å; V361-E365 HydrophobicContact CG1-CB 4.43Å; V361-T366 WeakPolarHBondContact CA-O 3.45Å; V361-C367 HydrophobicContact CG2-CB 3.83Å
362D96.3Very high92.1Very high3 Ų325.9 Ų25.92%0.01616%0.155CC..  trans-96.3-174.3176.872.2-5.9000113.4L296 P326 L327 E364 E365 T366L296-D362 WeakPolarHBondContact CD1-O 3.4Å; L296-D362 VanDerWaalsContact CD2-O 3.23Å; L296-D362 WeakPolarHBondContact CD2-O 3.43Å; P326-D362 WeakPolarHBondContact CA-OD2 3.44Å; L327-D362 HydrophobicContact CB-CB 4.29Å; L327-D362 VanDerWaalsContact CB-OD2 3.28Å; L327-D362 WeakPolarHBondContact CB-OD2 3.4Å; L327-D362 HydrophobicContact CD1-CB 3.78Å; L327-D362 HydrophobicContact CG-CB 3.73Å; L327-D362 PolarHBondContact N-OD2 3.05Å; D362-E364 PolarHBondContact O-N 3.38Å; D362-E364 PolarHBondContact OD1-N 2.84Å; D362-E364 VanDerWaalsContact OD1-N 3.11Å; D362-E365 PolarHBondContact O-N 3.38Å; D362-E365 PolarHBondContact OD1-N 2.84Å; D362-T366 PolarHBondContact N-O 3.24Å; D362-T366 WeakPolarHBondContact OD1-CB 3.34Å; D362-T366 PolarHBondContact OD1-N 3.13Å
363S93.4Very high93.8Very high90 Ų9022.7 Ų22.763%0.62912%0.121SC*.THydrogen-bonded Turntrans-65.2-21.5178.952.10000114.6
364E95.1Very high94.9Very high106 Ų10620.1 Ų20.150%0.49511%0.112SC..THydrogen-bonded Turntrans-87.37174.1-64.4-173.8175.500112.1P326 S328 D362 T366P326-E364 VanDerWaalsContact CB-CD 3.48Å; P326-E364 HydrophobicContact CB-CG 4.22Å; P326-E364 WeakPolarHBondContact CG-OE1 3.37Å; S328-E364 PolarHBondContact OG-OE2 3.33Å; D362-E364 PolarHBondContact O-N 3.38Å; D362-E364 PolarHBondContact OD1-N 2.84Å; D362-E364 VanDerWaalsContact OD1-N 3.11Å; E364-T366 PolarHBondContact O-N 3.17Å
365E95.2Very high95.4Very high77 Ų7720.5 Ų20.536%0.3612%0.116SC..  trans5821.9-173.6-52.1-166.2-167.700114.7K284 L296 V361 D362K284-E365 WeakPolarHBondContact CE-O 3.31Å; K284-E365 VanDerWaalsContact NZ-CB 3.34Å; K284-E365 PolarHBondContact NZ-O 2.88Å; K284-E365 IonicContact NZ-OE2 3.15Å; K284-E365 PolarHBondContact NZ-OE2 2.61Å; L296-E365 HydrophobicContact CD1-CG 3.92Å; V361-E365 HydrophobicContact CG1-CB 4.43Å; D362-E365 PolarHBondContact O-N 3.38Å; D362-E365 PolarHBondContact OD1-N 2.84Å
366T96.8Very high95.3Very high41 Ų4120 Ų2025%0.25211%0.111SC..  trans-75.6131.8172.6-62.70000108.7L327 V361 D362 E364 L368L327-T366 HydrophobicContact CB-CG2 3.84Å; L327-T366 WeakPolarHBondContact CD1-O 3.42Å; V361-T366 WeakPolarHBondContact CA-O 3.45Å; D362-T366 PolarHBondContact N-O 3.24Å; D362-T366 WeakPolarHBondContact OD1-CB 3.34Å; D362-T366 PolarHBondContact OD1-N 3.13Å; E364-T366 PolarHBondContact O-N 3.17Å; T366-L368 HydrophobicContact CG2-CD1 3.88Å
367C97.5Very high94.9Very high22 Ų2226.8 Ų26.815%0.14915%0.149CC..EExtended strand (participates in β ladder)trans-107.6126.9178-167.30000110.9I281 K284 M360 V361I281-C367 HydrophobicContact CG2-CB 4.24Å; K284-C367 HydrophobicContact CG-CB 4.43Å; M360-C367 WeakPolarHBondContact O-CA 3.45Å; V361-C367 HydrophobicContact CG2-CB 3.83Å
368L97.6Very high94.4Very high4 Ų433.5 Ų33.52%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-122.9155166.9-83.598.5000110.9L327 G359 M360 T366 V394 K409 I411L327-L368 HydrophobicContact CB-CD1 3.48Å; L327-L368 VanDerWaalsContact CB-CD1 3.48Å; L327-L368 HydrophobicContact CD1-CD1 3.99Å; L327-L368 HydrophobicContact CD2-CD1 4.26Å; L327-L368 HydrophobicContact CG-CD1 4.09Å; G359-L368 WeakPolarHBondContact CA-O 3.2Å; M360-L368 PolarHBondContact N-O 2.97Å; M360-L368 PolarHBondContact O-N 3.19Å; T366-L368 HydrophobicContact CG2-CD1 3.88Å; L368-V394 HydrophobicContact CD2-CG1 4.44Å; L368-K409 HydrophobicContact CD2-CB 3.49Å; L368-K409 VanDerWaalsContact CD2-CB 3.49Å; L368-K409 HydrophobicContact CD2-CD 4.45Å; L368-K409 HydrophobicContact CG-CB 4.06Å; L368-I411 HydrophobicContact CD2-CG1 4.04Å
369V97.4Very high94.1Very high0 Ų034.6 Ų34.60%019%0.189CC..EExtended strand (participates in β ladder)trans-84.7141.7168.1179.20000109.4V277 I281 F346 T357 F358 M371 F408 K409 S410 I411V277-V369 HydrophobicContact CG1-CG2 3.56Å; I281-V369 HydrophobicContact CD1-CG2 3.33Å; I281-V369 HydrophobicContact CG1-CG2 3.53Å; F346-V369 HydrophobicContact CZ-CG2 4.32Å; T357-V369 HydrophobicContact CG2-CG1 3.35Å; F358-V369 CarbonylContact O-C 3.52Å; F358-V369 WeakPolarHBondContact O-CA 3.41Å; V369-M371 HydrophobicContact CG1-CE 4Å; V369-M371 HydrophobicContact CG1-CG 4.03Å; V369-F408 HydrophobicContact CG2-CD2 4.38Å; V369-K409 PolarHBondContact N-O 2.78Å; V369-S410 CarbonylContact O-C 3.48Å; V369-S410 WeakPolarHBondContact O-CA 3.42Å; V369-I411 PolarHBondContact O-N 3.18Å
370V98.1Very high93.8Very high0 Ų036.3 Ų36.30%021%0.206CC..EExtended strand (participates in β ladder)trans-116127168-173.20000107.8T357 F358 M360 V372 V389 I411 V413T357-V370 WeakPolarHBondContact CA-O 3.1Å; F358-V370 HydrophobicContact CD1-CB 4.17Å; F358-V370 HydrophobicContact CD2-CB 4.19Å; F358-V370 HydrophobicContact CD2-CG2 4.34Å; F358-V370 HydrophobicContact CE1-CB 3.71Å; F358-V370 HydrophobicContact CE1-CG1 3.75Å; F358-V370 HydrophobicContact CE2-CB 3.7Å; F358-V370 HydrophobicContact CE2-CG1 4.32Å; F358-V370 HydrophobicContact CE2-CG2 3.67Å; F358-V370 HydrophobicContact CG-CB 4.4Å; F358-V370 HydrophobicContact CZ-CB 3.44Å; F358-V370 VanDerWaalsContact CZ-CB 3.44Å; F358-V370 HydrophobicContact CZ-CG1 3.58Å; F358-V370 HydrophobicContact CZ-CG2 3.79Å; F358-V370 PolarHBondContact N-O 2.88Å; F358-V370 PolarHBondContact O-N 3.05Å; M360-V370 HydrophobicContact CE-CG2 3.7Å; M360-V370 HydrophobicContact CG-CG2 3.91Å; M360-V370 HydrophobicContact SD-CG2 3.84Å; V370-V372 HydrophobicContact CG1-CG2 3.99Å; V370-V389 HydrophobicContact CG1-CG2 4.4Å; V370-I411 WeakPolarHBondContact CA-O 3.34Å; V370-I411 HydrophobicContact CG2-CB 4.39Å; V370-V413 HydrophobicContact CG1-CG2 3.67Å
371M96.6Very high93.7Very high1 Ų136.5 Ų36.51%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-110.8112.2177.7-62.2173.8-174.100108.1E241 F243 Y273 A355 T357 V369 Y373 F408 I411 V413E241-M371 HydrophobicContact CG-SD 3.98Å; F243-M371 HydrophobicContact CE2-CE 3.9Å; F243-M371 HydrophobicContact CE2-SD 4.31Å; F243-M371 HydrophobicContact CZ-CE 3.95Å; F243-M371 HydrophobicContact CZ-SD 3.97Å; Y273-M371 WeakPolarHBondContact OH-CE 3.33Å; A355-M371 HydrophobicContact CB-CB 4.28Å; T357-M371 HydrophobicContact CG2-CG 4.45Å; V369-M371 HydrophobicContact CG1-CE 4Å; V369-M371 HydrophobicContact CG1-CG 4.03Å; M371-Y373 HydrophobicContact CB-CE2 3.98Å; M371-F408 HydrophobicContact CE-CE2 3.78Å; M371-F408 HydrophobicContact CE-CZ 4.21Å; M371-I411 PolarHBondContact N-O 2.89Å; M371-V413 PolarHBondContact O-N 3.04Å
372V95.8Very high93.6Very high0 Ų042.6 Ų42.60%024%0.24CC..EExtended strand (participates in β ladder)trans-106.7118.2-176-166.70000109.6A355 F356 F358 V370 T375 W379 V413 P416 L419A355-V372 CarbonylContact C-O 3.53Å; A355-V372 VanDerWaalsContact CA-O 3.25Å; A355-V372 WeakPolarHBondContact CA-O 3.39Å; A355-V372 WeakPolarHBondContact CB-O 2.99Å; F356-V372 PolarHBondContact N-O 3.17Å; F356-V372 PolarHBondContact O-N 2.85Å; F358-V372 HydrophobicContact CD1-CG2 4.29Å; F358-V372 HydrophobicContact CE1-CG2 3.62Å; V370-V372 HydrophobicContact CG1-CG2 3.99Å; V372-T375 HydrophobicContact CB-CG2 3.97Å; V372-T375 HydrophobicContact CG1-CG2 3.64Å; V372-T375 WeakPolarHBondContact O-CG2 3.36Å; V372-W379 HydrophobicContact CB-CH2 4.13Å; V372-W379 HydrophobicContact CB-CZ3 3.98Å; V372-W379 HydrophobicContact CG1-CH2 3.88Å; V372-W379 HydrophobicContact CG1-CZ3 3.93Å; V372-W379 HydrophobicContact CG2-CH2 3.99Å; V372-W379 HydrophobicContact CG2-CZ3 4.22Å; V372-V413 CarbonylContact C-O 3.59Å; V372-V413 WeakPolarHBondContact CA-O 3.49Å; V372-V413 HydrophobicContact CG1-CB 4.37Å; V372-V413 HydrophobicContact CG1-CG1 4.21Å; V372-V413 HydrophobicContact CG2-CB 4.29Å; V372-P416 HydrophobicContact CG1-CB 4.07Å; V372-L419 HydrophobicContact CG1-CD1 4.14Å; V372-L419 HydrophobicContact CG2-CD1 3.78Å
373Y92.9Very high93.7Very high5 Ų546.1 Ų46.12%0.0226%0.258CS..EExtended strand (participates in β ladder)trans-95.2167.4-179.4-69.8-99.5000111.3Y239 E241 M354 A355 M371 T375 R412 V413 P416Y239-Y373 HydrophobicContact CD2-CD1 4.04Å; Y239-Y373 AromaticContact CD2-CE1 3.89Å; Y239-Y373 HydrophobicContact CD2-CE1 3.89Å; Y239-Y373 AromaticContact CE2-CD1 3.49Å; Y239-Y373 HydrophobicContact CE2-CD1 3.49Å; Y239-Y373 VanDerWaalsContact CE2-CD1 3.49Å; Y239-Y373 AromaticContact CE2-CE1 3.82Å; Y239-Y373 HydrophobicContact CE2-CE1 3.82Å; Y239-Y373 HydrophobicContact CG-CE1 4.4Å; Y239-Y373 AromaticContact CZ-CD1 3.84Å; Y239-Y373 PolarHBondContact O-OH 3Å; E241-Y373 WeakPolarHBondContact CG-OH 3.42Å; E241-Y373 WeakPolarHBondContact OE1-CE2 3.23Å; E241-Y373 PolarHBondContact OE1-OH 2.97Å; M354-Y373 HydrophobicContact CB-CE1 4.03Å; M354-Y373 VanDerWaalsContact O-CD1 3.28Å; M354-Y373 WeakPolarHBondContact O-CD1 3.23Å; A355-Y373 HydrophobicContact CB-CD1 3.98Å; A355-Y373 HydrophobicContact CB-CD2 3.94Å; A355-Y373 HydrophobicContact CB-CE1 3.86Å; A355-Y373 HydrophobicContact CB-CE2 3.77Å; A355-Y373 HydrophobicContact CB-CG 4.03Å; M371-Y373 HydrophobicContact CB-CE2 3.98Å; Y373-T375 PolarHBondContact O-N 2.86Å; Y373-R412 HydrophobicContact CD2-CG 4.38Å; Y373-R412 HydrophobicContact CE2-CG 4.22Å; Y373-R412 PolarHBondContact OH-NH1 3.1Å; Y373-V413 PolarHBondContact N-O 3.27Å; Y373-P416 VanDerWaalsContact O-CD 3.28Å; Y373-P416 WeakPolarHBondContact O-CD 3.48Å
374N90.6Very high93.8Very high11 Ų1142.8 Ų42.86%0.05924%0.237CC..SBendtrans55.937.7178.2-61.5-46.4000113.1D414 Q431 I432 P433 V434N374-D414 PolarHBondContact ND2-O 3.24Å; N374-Q431 HydrophobicContact CB-CG 4.11Å; N374-Q431 CarbonylContact O-C 3.56Å; N374-Q431 WeakPolarHBondContact O-CA 3.43Å; N374-Q431 WeakPolarHBondContact O-CG 3.37Å; N374-I432 CarbonylContact C-O 3.4Å; N374-I432 WeakPolarHBondContact CA-O 3.35Å; N374-I432 PolarHBondContact O-N 3.13Å; N374-P433 WeakPolarHBondContact OD1-CA 3.39Å; N374-V434 PolarHBondContact OD1-N 3.42Å
375T90.4Very high93.8Very high30 Ų3039 Ų3918%0.18422%0.221CC..BIsolated β-bridgetrans-88.7139.8-178.355.10000111.4F356 V372 Y373 W379 P416F356-T375 HydrophobicContact CB-CG2 3.99Å; V372-T375 HydrophobicContact CB-CG2 3.97Å; V372-T375 HydrophobicContact CG1-CG2 3.64Å; V372-T375 WeakPolarHBondContact O-CG2 3.36Å; Y373-T375 PolarHBondContact O-N 2.86Å; T375-W379 HydrophobicContact CG2-CD2 4.21Å; T375-W379 HydrophobicContact CG2-CE3 3.35Å; T375-W379 HydrophobicContact CG2-CZ3 3.55Å; T375-P416 HydrophobicContact CG2-CB 4.39Å; T375-P416 HydrophobicContact CG2-CG 4.22Å
376A88.1Confident93.9Very high4 Ų435.8 Ų35.83%0.03321%0.207CC..  trans-65.7149.6167.700000111.2N378 W379 Q429 S430 I432A376-N378 WeakPolarHBondContact CB-OD1 3.38Å; A376-N378 PolarHBondContact O-N 3.15Å; A376-N378 VanDerWaalsContact O-N 3.11Å; A376-W379 HydrophobicContact CB-CB 4.27Å; A376-W379 WeakPolarHBondContact O-CB 3.25Å; A376-W379 PolarHBondContact O-N 2.66Å; A376-Q429 WeakPolarHBondContact CB-O 3.35Å; A376-S430 WeakPolarHBondContact CB-O 3.25Å; A376-S430 PolarHBondContact N-O 3.06Å; A376-I432 HydrophobicContact CB-CD1 3.77Å; A376-I432 HydrophobicContact CB-CG1 3.76Å
377D84.3Confident93.9Very high167 Ų16733.9 Ų33.989%0.89320%0.195SC*.THydrogen-bonded Turntrans-58.9-28-177.4-66.8-28.6000113.6
378N86.1Confident94Very high143 Ų14332.8 Ų32.877%0.76519%0.188SC*.THydrogen-bonded Turntrans-91.91.6178.467.3-15.9000113.6A376A376-N378 WeakPolarHBondContact CB-OD1 3.38Å; A376-N378 PolarHBondContact O-N 3.15Å; A376-N378 VanDerWaalsContact O-N 3.11Å
379W91Very high94Very high22 Ų2232.8 Ų32.88%0.08319%0.188CC..  trans-90146-179.6-176.184000112F356 V372 T375 A376 V381 P416 L419 Q426F356-W379 HydrophobicContact CB-CE3 4.29Å; F356-W379 HydrophobicContact CB-CZ3 3.94Å; F356-W379 HydrophobicContact CD1-CE3 4.36Å; F356-W379 HydrophobicContact CD1-CH2 4.37Å; F356-W379 AromaticContact CD1-CZ3 3.6Å; F356-W379 HydrophobicContact CD1-CZ3 3.6Å; F356-W379 HydrophobicContact CE1-CZ3 4.27Å; F356-W379 HydrophobicContact CG-CE3 4.18Å; F356-W379 AromaticContact CG-CZ3 3.8Å; F356-W379 HydrophobicContact CG-CZ3 3.8Å; V372-W379 HydrophobicContact CB-CH2 4.13Å; V372-W379 HydrophobicContact CB-CZ3 3.98Å; V372-W379 HydrophobicContact CG1-CH2 3.88Å; V372-W379 HydrophobicContact CG1-CZ3 3.93Å; V372-W379 HydrophobicContact CG2-CH2 3.99Å; V372-W379 HydrophobicContact CG2-CZ3 4.22Å; T375-W379 HydrophobicContact CG2-CD2 4.21Å; T375-W379 HydrophobicContact CG2-CE3 3.35Å; T375-W379 HydrophobicContact CG2-CZ3 3.55Å; A376-W379 HydrophobicContact CB-CB 4.27Å; A376-W379 WeakPolarHBondContact O-CB 3.25Å; A376-W379 PolarHBondContact O-N 2.66Å; W379-V381 HydrophobicContact CH2-CG1 4.35Å; W379-V381 HydrophobicContact CZ2-CG1 4.25Å; W379-P416 HydrophobicContact CD2-CB 3.87Å; W379-P416 HydrophobicContact CE3-CB 4.33Å; W379-P416 HydrophobicContact CG-CB 4.44Å; W379-P416 HydrophobicContact CH2-CB 4.13Å; W379-P416 HydrophobicContact CZ2-CB 3.65Å; W379-P416 HydrophobicContact CZ3-CB 4.43Å; W379-L419 HydrophobicContact CH2-CD1 3.66Å; W379-L419 HydrophobicContact CZ2-CD1 3.81Å; W379-Q426 VanDerWaalsContact NE1-OE1 3.1Å
380G92.4Very high94Very high36 Ų3633.2 Ų33.237%0.37119%0.19SC..  trans177.4175.9172.500000112.3
381V95.2Very high93.9Very high5 Ų533.7 Ų33.73%0.0319%0.193CC..  trans-117.3151.3173.2-64.70000110.9V344 F356 F358 W379 V387 V421V344-V381 HydrophobicContact CG1-CG2 4.1Å; V344-V381 HydrophobicContact CG2-CB 4.11Å; V344-V381 HydrophobicContact CG2-CG2 3.75Å; F356-V381 HydrophobicContact CE1-CG2 3.87Å; F356-V381 HydrophobicContact CZ-CG2 4.44Å; F358-V381 HydrophobicContact CB-CG2 4.09Å; F358-V381 HydrophobicContact CD1-CG2 3.66Å; F358-V381 HydrophobicContact CD2-CG2 4.05Å; F358-V381 HydrophobicContact CE1-CG2 4Å; F358-V381 HydrophobicContact CE2-CG2 4.38Å; F358-V381 HydrophobicContact CG-CG2 3.67Å; F358-V381 HydrophobicContact CZ-CG2 4.36Å; W379-V381 HydrophobicContact CH2-CG1 4.35Å; W379-V381 HydrophobicContact CZ2-CG1 4.25Å; V381-V387 HydrophobicContact CG1-CG2 4.2Å; V381-V421 HydrophobicContact CG1-CG1 4.16Å; V381-V421 HydrophobicContact CG1-CG2 3.77Å
382L95.8Very high94Very high127 Ų12733.7 Ų33.767%0.66519%0.193SC*.  trans-100.3150.9-177.6-59.7177.5000111.6V344 G384 D385V344-L382 VanDerWaalsContact CB-O 3.31Å; V344-L382 WeakPolarHBondContact CB-O 3.48Å; L382-G384 PolarHBondContact O-N 2.91Å; L382-D385 WeakPolarHBondContact CB-OD2 3.38Å; L382-D385 PolarHBondContact N-OD2 2.91Å; L382-D385 VanDerWaalsContact O-CB 3.29Å; L382-D385 WeakPolarHBondContact O-CB 3.48Å; L382-D385 PolarHBondContact O-N 3.02Å
383I96.7Very high94.1Very high77 Ų7736.1 Ų36.140%0.39521%0.206SC..THydrogen-bonded Turntrans-59.1121.9174.5-63.5174.1000109.8M295M295-I383 HydrophobicContact CE-CG2 3.77Å
384G95.8Very high94.3Very high20 Ų2036 Ų3621%0.20621%0.206CC..THydrogen-bonded Turntrans100.5-10-17700000115K343 V344 L382K343-G384 WeakPolarHBondContact CD-O 3.27Å; K343-G384 PolarHBondContact NZ-O 3.2Å; V344-G384 PolarHBondContact O-N 2.84Å; L382-G384 PolarHBondContact O-N 2.91Å
385D96.4Very high94.6Very high28 Ų2837.3 Ų37.315%0.1521%0.211CC..  trans-60.2142.9171.8-75.7-19.1000110.7K343 V344 L382 V421 N422K343-D385 WeakPolarHBondContact CA-O 3.28Å; K343-D385 WeakPolarHBondContact CD-O 3.37Å; V344-D385 HydrophobicContact CG2-CB 4.1Å; V344-D385 PolarHBondContact N-O 2.89Å; L382-D385 WeakPolarHBondContact CB-OD2 3.38Å; L382-D385 PolarHBondContact N-OD2 2.91Å; L382-D385 VanDerWaalsContact O-CB 3.29Å; L382-D385 WeakPolarHBondContact O-CB 3.48Å; L382-D385 PolarHBondContact O-N 3.02Å; D385-V421 HydrophobicContact CB-CG1 4.11Å; D385-N422 WeakPolarHBondContact CA-OD1 3.35Å; D385-N422 VanDerWaalsContact CG-ND2 3.34Å; D385-N422 PolarHBondContact OD1-ND2 2.89Å
386S96.9Very high94.9Very high9 Ų943.5 Ų43.56%0.06323%0.231CC..EExtended strand (participates in β ladder)trans-83.8124.3166.2-640000108.8G342 K343 V421 N422G342-S386 WeakPolarHBondContact O-CA 3.44Å; K343-S386 WeakPolarHBondContact CE-OG 3.43Å; K343-S386 PolarHBondContact NZ-OG 3.36Å; S386-V421 CarbonylContact O-C 3.59Å; S386-V421 WeakPolarHBondContact O-CA 3.49Å; S386-N422 PolarHBondContact N-OD1 3.34Å; S386-N422 PolarHBondContact O-N 3.03Å
387V97.4Very high95.4Very high0 Ų043.8 Ų43.80%023%0.231CC..EExtended strand (participates in β ladder)trans-119.5135.1176.5-178.60000109.6L341 G342 V344 F358 V381 L419 I420 V421L341-V387 WeakPolarHBondContact CA-O 3.41Å; G342-V387 PolarHBondContact N-O 3.42Å; G342-V387 PolarHBondContact O-N 3.44Å; V344-V387 HydrophobicContact CG2-CG2 3.56Å; F358-V387 HydrophobicContact CE2-CB 4.39Å; F358-V387 HydrophobicContact CE2-CG1 4.29Å; F358-V387 HydrophobicContact CE2-CG2 4.25Å; F358-V387 HydrophobicContact CZ-CB 4.5Å; F358-V387 HydrophobicContact CZ-CG1 3.95Å; F358-V387 HydrophobicContact CZ-CG2 4.39Å; V381-V387 HydrophobicContact CG1-CG2 4.2Å; V387-L419 HydrophobicContact CG1-CD2 4.15Å; V387-I420 CarbonylContact C-O 3.58Å; V387-I420 WeakPolarHBondContact CA-O 3.23Å; V387-V421 HydrophobicContact CG2-CG2 4.35Å
388V97.6Very high96Very high0 Ų040.1 Ų40.10%022%0.219CC..EExtended strand (participates in β ladder)trans-111131.8168.6-169.70000108.5A303 L304 A339 A340 L341 I420A303-V388 WeakPolarHBondContact O-CG2 3.47Å; L304-V388 HydrophobicContact CD2-CG1 4.19Å; L304-V388 HydrophobicContact CD2-CG2 4.44Å; A339-V388 HydrophobicContact CB-CG1 3.8Å; A340-V388 CarbonylContact O-C 3.59Å; A340-V388 VanDerWaalsContact O-CA 3.23Å; A340-V388 WeakPolarHBondContact O-CA 3.45Å; L341-V388 HydrophobicContact CD1-CG2 3.93Å; V388-I420 HydrophobicContact CB-CB 4.01Å; V388-I420 HydrophobicContact CB-CD1 4.43Å; V388-I420 HydrophobicContact CG2-CB 4.21Å; V388-I420 HydrophobicContact CG2-CG2 4.4Å; V388-I420 PolarHBondContact N-O 2.91Å; V388-I420 PolarHBondContact O-N 3.05Å
389V97.9Very high96.6Very high4 Ų433.7 Ų33.72%0.02418%0.184CC..EExtended strand (participates in β ladder)trans-108.7105.7166.6-167.70000108.4A340 M360 V370 P392 I411 V413 L419A340-V389 HydrophobicContact CB-CB 4.3Å; A340-V389 PolarHBondContact N-O 3.36Å; A340-V389 PolarHBondContact O-N 3.47Å; M360-V389 HydrophobicContact CE-CG2 4.49Å; V370-V389 HydrophobicContact CG1-CG2 4.4Å; V389-P392 HydrophobicContact CB-CB 4.4Å; V389-P392 HydrophobicContact CG1-CB 4.13Å; V389-I411 HydrophobicContact CG1-CG2 3.91Å; V389-V413 HydrophobicContact CG1-CG2 3.75Å; V389-V413 HydrophobicContact CG2-CG2 4.48Å; V389-L419 HydrophobicContact CB-CD2 4.4Å; V389-L419 HydrophobicContact CG1-CD2 4.36Å; V389-L419 HydrophobicContact CG2-CD2 3.78Å
390P97.1Very high96.9Very high8 Ų836.9 Ų36.95%0.05221%0.207CC..EExtended strand (participates in β ladder)trans-65.8134.8172.2-17.432000110.5F312 P315 L322 L418F312-P390 HydrophobicContact CE1-CB 4.31Å; F312-P390 HydrophobicContact CZ-CB 4.24Å; F312-P390 HydrophobicContact CZ-CG 4.19Å; P315-P390 HydrophobicContact CG-CB 4.35Å; L322-P390 HydrophobicContact CD1-CB 3.62Å; P390-L418 WeakPolarHBondContact CD-O 3.47Å; P390-L418 WeakPolarHBondContact CG-O 3.01Å
391E97Very high97.1Very high10 Ų1036 Ų365%0.04719%0.193CC..SBendtrans45.757.3176.4-53.1-168.6129.200114.3A314 S316 L322 H334 N335 G337 V338 N393A314-E391 HydrophobicContact CB-CG 4.13Å; A314-E391 WeakPolarHBondContact CB-OE2 3.35Å; S316-E391 WeakPolarHBondContact CB-OE2 3.13Å; S316-E391 PolarHBondContact N-OE2 3.31Å; S316-E391 VanDerWaalsContact N-OE2 3.13Å; S316-E391 VanDerWaalsContact OG-CD 3.26Å; S316-E391 PolarHBondContact OG-OE1 2.92Å; S316-E391 PolarHBondContact OG-OE2 3.27Å; L322-E391 HydrophobicContact CD1-CG 4.37Å; L322-E391 HydrophobicContact CD2-CG 4.32Å; H334-E391 IonicContact CE1-OE2 2.73Å; N335-E391 CarbonylContact O-C 3.55Å; N335-E391 WeakPolarHBondContact O-CA 3.5Å; G337-E391 PolarHBondContact N-OE1 3.32Å; V338-E391 WeakPolarHBondContact O-CA 3.41Å; V338-E391 PolarHBondContact O-N 3.49Å; E391-N393 PolarHBondContact O-N 3.02Å
392P97.9Very high97Very high1 Ų142.2 Ų42.21%0.00622%0.219CC..  trans-61.1135-167.427.3-35.8000112.1L330 N335 V338 A340 V389 V394 I411L330-P392 HydrophobicContact CD1-CB 4.48Å; L330-P392 HydrophobicContact CD1-CG 4Å; L330-P392 HydrophobicContact CD2-CG 3.9Å; N335-P392 HydrophobicContact CB-CG 4.13Å; N335-P392 PolarHBondContact N-O 3.15Å; N335-P392 PolarHBondContact ND2-O 3.39Å; V338-P392 HydrophobicContact CG2-CG 4.32Å; A340-P392 HydrophobicContact CB-CB 4.26Å; A340-P392 HydrophobicContact CB-CG 4Å; V389-P392 HydrophobicContact CB-CB 4.4Å; V389-P392 HydrophobicContact CG1-CB 4.13Å; P392-V394 HydrophobicContact CB-CG2 4.45Å; P392-I411 HydrophobicContact CB-CD1 3.92Å; P392-I411 HydrophobicContact CB-CG2 3.6Å
393N97.8Very high96.9Very high51 Ų5144.2 Ų44.227%0.27323%0.231SC..EExtended strand (participates in β ladder)trans-94.1104.2171.4-174.118.2000109.9G333 E391 I411 R412G333-N393 VanDerWaalsContact C-OD1 3.23Å; G333-N393 CarbonylContact O-C 3.54Å; G333-N393 WeakPolarHBondContact O-CA 3.3Å; G333-N393 PolarHBondContact O-OD1 2.95Å; E391-N393 PolarHBondContact O-N 3.02Å; N393-I411 WeakPolarHBondContact O-CA 3.49Å; N393-R412 PolarHBondContact O-N 2.89Å
394V98.4Very high96.9Very high3 Ų344.6 Ų44.62%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-96.2128.3-172.5176.10000111.2L330 T331 H332 G333 L368 P392 S410 I411L330-V394 HydrophobicContact CB-CG2 3.82Å; L330-V394 HydrophobicContact CD1-CG2 4.01Å; T331-V394 WeakPolarHBondContact O-CB 3.43Å; H332-V394 WeakPolarHBondContact CA-O 3.45Å; H332-V394 PolarHBondContact ND1-O 2.88Å; G333-V394 PolarHBondContact N-O 3.42Å; G333-V394 PolarHBondContact O-N 3.26Å; L368-V394 HydrophobicContact CD2-CG1 4.44Å; P392-V394 HydrophobicContact CB-CG2 4.45Å; V394-S410 CarbonylContact C-O 3.59Å; V394-S410 VanDerWaalsContact CA-O 3.27Å; V394-S410 WeakPolarHBondContact CA-O 3.48Å; V394-I411 HydrophobicContact CG2-CG1 4.07Å
395K97.6Very high97Very high38 Ų3847.8 Ų47.817%0.16525%0.248CC..EExtended strand (participates in β ladder)trans-109139.1171.4-69.4-169.9-174.5167.20110.9E240 E241 K409 S410E240-K395 PolarHBondContact O-NZ 3.13Å; E241-K395 HydrophobicContact CB-CD 4.11Å; E241-K395 IonicContact OE1-NZ 3.54Å; E241-K395 WeakPolarHBondContact OE2-CD 3.49Å; E241-K395 IonicContact OE2-NZ 3.55Å; K395-K409 CarbonylContact O-C 3.1Å; K395-K409 VanDerWaalsContact O-CA 3.32Å; K395-K409 WeakPolarHBondContact O-CA 3.39Å; K395-S410 PolarHBondContact N-O 3.18Å; K395-S410 PolarHBondContact O-N 2.82Å
396R96.6Very high97Very high161 Ų16147 Ų4761%0.60824%0.243SC*.EExtended strand (participates in β ladder)trans-97.5126.8167.9-176.8178.9-177.8-167.3-3.2107.9D407R396-D407 IonicContact NH2-OD2 3.81Å; R396-D407 PolarHBondContact NH2-OD2 3.29Å
397H97.8Very high97Very high9 Ų951 Ų514%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-107120.9177.5-60.8-71.3000108.3E241 F243 I399 D407 F408 S410E241-H397 IonicContact OE2-CE1 2.87Å; E241-H397 IonicContact OE2-NE2 3.4Å; F243-H397 AromaticContact CD2-CE1 3.98Å; F243-H397 AromaticContact CD2-ND1 3.68Å; F243-H397 AromaticContact CE2-CE1 3.71Å; F243-H397 AromaticContact CE2-ND1 3.86Å; H397-I399 HydrophobicContact CB-CD1 4Å; H397-I399 HydrophobicContact CB-CG1 4.45Å; H397-D407 VanDerWaalsContact O-CA 3.31Å; H397-D407 WeakPolarHBondContact O-CA 3.45Å; H397-F408 HydrophobicContact CB-CD1 3.89Å; H397-F408 HydrophobicContact CB-CD2 4.4Å; H397-F408 HydrophobicContact CB-CE1 3.64Å; H397-F408 HydrophobicContact CB-CE2 4.18Å; H397-F408 HydrophobicContact CB-CG 4.26Å; H397-F408 HydrophobicContact CB-CZ 3.79Å; H397-F408 WeakPolarHBondContact CB-O 3.49Å; H397-F408 AromaticContact CD2-CD2 3.76Å; H397-F408 AromaticContact CD2-CE2 3.32Å; H397-F408 WeakPolarHBondContact CD2-CE2 3.48Å; H397-F408 AromaticContact CD2-CZ 3.66Å; H397-F408 AromaticContact CG-CE2 3.83Å; H397-F408 AromaticContact CG-CZ 3.67Å; H397-F408 PolarHBondContact N-O 3.43Å; H397-F408 PolarHBondContact O-N 3.29Å; H397-F408 VanDerWaalsContact O-N 3.09Å; H397-S410 PolarHBondContact NE2-OG 2.98Å
398S97.4Very high97Very high91 Ų9151.5 Ų51.564%0.63627%0.267SS*.EExtended strand (participates in β ladder)trans-131.3100.5168.6-171.30000106.1
399I98.2Very high97Very high7 Ų755.7 Ų55.74%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-119.7130.4-168.1-57.3151.6000107.2F243 L247 L274 H397 S405 Y406 F408F243-I399 HydrophobicContact CB-CD1 3.65Å; F243-I399 HydrophobicContact CB-CG1 4.24Å; F243-I399 HydrophobicContact CD2-CD1 3.94Å; F243-I399 HydrophobicContact CG-CD1 4.24Å; L247-I399 HydrophobicContact CD1-CG2 4.16Å; L274-I399 HydrophobicContact CD1-CD1 4.16Å; L274-I399 HydrophobicContact CD1-CG2 4.43Å; L274-I399 HydrophobicContact CD2-CD1 3.9Å; H397-I399 HydrophobicContact CB-CD1 4Å; H397-I399 HydrophobicContact CB-CG1 4.45Å; I399-S405 CarbonylContact O-C 3.34Å; I399-S405 VanDerWaalsContact O-CA 3.27Å; I399-S405 WeakPolarHBondContact O-CA 3.29Å; I399-Y406 HydrophobicContact CB-CD2 4.33Å; I399-Y406 HydrophobicContact CG2-CD2 4.25Å; I399-Y406 PolarHBondContact N-O 3.09Å; I399-Y406 PolarHBondContact O-N 3.25Å; I399-F408 HydrophobicContact CD1-CE1 4.13Å
400T97.1Very high97Very high90 Ų9055.5 Ų55.555%0.55228%0.284SS*.EExtended strand (participates in β ladder)trans-128.8127.8168.8-61.30000107.6K404 S405T400-K404 WeakPolarHBondContact CA-O 3.46Å; T400-S405 PolarHBondContact OG1-OG 3.04Å
401H97.2Very high97.1Very high18 Ų1855.1 Ų55.18%0.08328%0.281CS..EExtended strand (participates in β ladder)trans-147.5123.2178-175.471000109.1L247 E267 D403 K404L247-H401 HydrophobicContact CB-CB 4.33Å; L247-H401 HydrophobicContact CD1-CB 3.7Å; E267-H401 IonicContact OE1-CD2 2.83Å; E267-H401 IonicContact OE1-CE1 3.14Å; E267-H401 IonicContact OE1-NE2 3.11Å; E267-H401 PolarHBondContact OE1-NE2 3.05Å; H401-D403 PolarHBondContact O-N 2.81Å; H401-K404 PolarHBondContact N-O 3.42Å; H401-K404 PolarHBondContact O-N 2.89Å; H401-K404 VanDerWaalsContact O-N 3.14Å
402K93.6Very high97.1Very high135 Ų13555.4 Ų55.459%0.58728%0.282SS*.THydrogen-bonded Turntrans51.4-129.9-169.6-60.7170.2174.2165.60109.2E267 K404E267-K402 WeakPolarHBondContact OE1-CE 3.44Å; E267-K402 IonicContact OE1-NZ 3.87Å; E267-K402 PolarHBondContact OE1-NZ 3.5Å; E267-K402 IonicContact OE2-NZ 2.75Å; K402-K404 VanDerWaalsContact C-N 3.35Å; K402-K404 PolarHBondContact O-N 2.89Å
403D93.6Very high97Very high168 Ų16855.6 Ų55.690%0.89828%0.283SS*.THydrogen-bonded Turntrans-91.813.1-178-53.7-51.2000114.1H401H401-D403 PolarHBondContact O-N 2.81Å
404K95.5Very high96.8Very high85 Ų8556.6 Ų56.637%0.3729%0.288SS..EExtended strand (participates in β ladder)trans-114.9141.2-178.6-64.5-168.2179.3-174.80111.7E275 T400 H401 K402 Y406E275-K404 IonicContact OE2-NZ 3.68Å; E275-K404 PolarHBondContact OE2-NZ 3.17Å; T400-K404 WeakPolarHBondContact CA-O 3.46Å; H401-K404 PolarHBondContact N-O 3.42Å; H401-K404 PolarHBondContact O-N 2.89Å; H401-K404 VanDerWaalsContact O-N 3.14Å; K402-K404 VanDerWaalsContact C-N 3.35Å; K402-K404 PolarHBondContact O-N 2.89Å; K404-Y406 HydrophobicContact CB-CE2 4.01Å; K404-Y406 WeakPolarHBondContact CD-OH 3.33Å
405S97.3Very high96.6Very high87 Ų8757 Ų5761%0.60829%0.291SS*.EExtended strand (participates in β ladder)trans-130.3140.7175.2-60.70000111.4I399 T400I399-S405 CarbonylContact O-C 3.34Å; I399-S405 VanDerWaalsContact O-CA 3.27Å; I399-S405 WeakPolarHBondContact O-CA 3.29Å; T400-S405 PolarHBondContact OG1-OG 3.04Å
406Y97.9Very high96.5Very high11 Ų1155.2 Ų55.24%0.04328%0.283CS..EExtended strand (participates in β ladder)trans-132.5125.7-179.2-50.1-81.2000109.6L271 L274 E275 T278 I399 K404L271-Y406 HydrophobicContact CD2-CE2 4.11Å; L271-Y406 PolarHBondContact O-OH 3.22Å; L274-Y406 HydrophobicContact CB-CD1 3.85Å; L274-Y406 HydrophobicContact CB-CD2 3.95Å; L274-Y406 HydrophobicContact CB-CE1 3.79Å; L274-Y406 HydrophobicContact CB-CE2 3.9Å; L274-Y406 HydrophobicContact CB-CG 3.91Å; L274-Y406 HydrophobicContact CD1-CD2 3.9Å; L274-Y406 HydrophobicContact CD1-CE2 3.96Å; E275-Y406 HydrophobicContact CB-CE1 4.04Å; T278-Y406 HydrophobicContact CG2-CD1 3.94Å; T278-Y406 HydrophobicContact CG2-CG 4.46Å; I399-Y406 HydrophobicContact CB-CD2 4.33Å; I399-Y406 HydrophobicContact CG2-CD2 4.25Å; I399-Y406 PolarHBondContact N-O 3.09Å; I399-Y406 PolarHBondContact O-N 3.25Å; K404-Y406 HydrophobicContact CB-CE2 4.01Å; K404-Y406 WeakPolarHBondContact CD-OH 3.33Å
407D97.1Very high96.4Very high95 Ų9550.4 Ų50.451%0.50827%0.27SS..EExtended strand (participates in β ladder)trans-126.7120.5172.5-168.7-46.3000109.5R396 H397R396-D407 IonicContact NH2-OD2 3.81Å; R396-D407 PolarHBondContact NH2-OD2 3.29Å; H397-D407 VanDerWaalsContact O-CA 3.31Å; H397-D407 WeakPolarHBondContact O-CA 3.45Å
408F97.3Very high96.2Very high10 Ų1052.9 Ų52.94%0.04428%0.283CS..EExtended strand (participates in β ladder)trans-159.6166.9175.165-80.1000112.1F243 L274 V277 T278 I281 V369 M371 H397 I399F243-F408 HydrophobicContact CD2-CZ 4.5Å; F243-F408 HydrophobicContact CE2-CZ 4.32Å; L274-F408 HydrophobicContact CD2-CE1 4Å; L274-F408 HydrophobicContact CD2-CZ 4.09Å; V277-F408 HydrophobicContact CG1-CD2 4.4Å; V277-F408 HydrophobicContact CG1-CE2 4.25Å; V277-F408 HydrophobicContact CG1-CZ 4.47Å; T278-F408 HydrophobicContact CG2-CD1 3.78Å; T278-F408 HydrophobicContact CG2-CE1 4.39Å; T278-F408 HydrophobicContact CG2-CG 4.45Å; I281-F408 HydrophobicContact CD1-CB 3.56Å; I281-F408 HydrophobicContact CD1-CD2 4.06Å; I281-F408 HydrophobicContact CD1-CG 3.97Å; V369-F408 HydrophobicContact CG2-CD2 4.38Å; M371-F408 HydrophobicContact CE-CE2 3.78Å; M371-F408 HydrophobicContact CE-CZ 4.21Å; H397-F408 HydrophobicContact CB-CD1 3.89Å; H397-F408 HydrophobicContact CB-CD2 4.4Å; H397-F408 HydrophobicContact CB-CE1 3.64Å; H397-F408 HydrophobicContact CB-CE2 4.18Å; H397-F408 HydrophobicContact CB-CG 4.26Å; H397-F408 HydrophobicContact CB-CZ 3.79Å; H397-F408 WeakPolarHBondContact CB-O 3.49Å; H397-F408 AromaticContact CD2-CD2 3.76Å; H397-F408 AromaticContact CD2-CE2 3.32Å; H397-F408 WeakPolarHBondContact CD2-CE2 3.48Å; H397-F408 AromaticContact CD2-CZ 3.66Å; H397-F408 AromaticContact CG-CE2 3.83Å; H397-F408 AromaticContact CG-CZ 3.67Å; H397-F408 PolarHBondContact N-O 3.43Å; H397-F408 PolarHBondContact O-N 3.29Å; H397-F408 VanDerWaalsContact O-N 3.09Å; I399-F408 HydrophobicContact CD1-CE1 4.13Å
409K97.5Very high96.2Very high87 Ų8748.6 Ų48.638%0.37825%0.253SS..EExtended strand (participates in β ladder)trans-107.5140.2169.3-64.4-177.8-178.9-178.80110.3L368 V369 K395L368-K409 HydrophobicContact CD2-CB 3.49Å; L368-K409 VanDerWaalsContact CD2-CB 3.49Å; L368-K409 HydrophobicContact CD2-CD 4.45Å; L368-K409 HydrophobicContact CG-CB 4.06Å; V369-K409 PolarHBondContact N-O 2.78Å; K395-K409 CarbonylContact O-C 3.1Å; K395-K409 VanDerWaalsContact O-CA 3.32Å; K395-K409 WeakPolarHBondContact O-CA 3.39Å
410S98Very high96.1Very high0 Ų048.2 Ų48.20%025%0.251CS..EExtended strand (participates in β ladder)trans-120.8160.5170.173.60000111.5E241 V369 V394 K395 H397E241-S410 PolarHBondContact OE2-OG 2.8Å; V369-S410 CarbonylContact O-C 3.48Å; V369-S410 WeakPolarHBondContact O-CA 3.42Å; V394-S410 CarbonylContact C-O 3.59Å; V394-S410 VanDerWaalsContact CA-O 3.27Å; V394-S410 WeakPolarHBondContact CA-O 3.48Å; K395-S410 PolarHBondContact N-O 3.18Å; K395-S410 PolarHBondContact O-N 2.82Å; H397-S410 PolarHBondContact NE2-OG 2.98Å
411I98.5Very high96Very high0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-111.5121.2162.9-52.3-173000107.7L327 L330 A340 M360 L368 V369 V370 M371 V389 P392 N393 V394 V413L327-I411 HydrophobicContact CD2-CD1 4.39Å; L330-I411 HydrophobicContact CD1-CD1 4Å; A340-I411 HydrophobicContact CB-CD1 4.06Å; M360-I411 HydrophobicContact CE-CD1 3.27Å; M360-I411 HydrophobicContact CE-CG1 4.32Å; L368-I411 HydrophobicContact CD2-CG1 4.04Å; V369-I411 PolarHBondContact O-N 3.18Å; V370-I411 WeakPolarHBondContact CA-O 3.34Å; V370-I411 HydrophobicContact CG2-CB 4.39Å; M371-I411 PolarHBondContact N-O 2.89Å; V389-I411 HydrophobicContact CG1-CG2 3.91Å; P392-I411 HydrophobicContact CB-CD1 3.92Å; P392-I411 HydrophobicContact CB-CG2 3.6Å; N393-I411 WeakPolarHBondContact O-CA 3.49Å; V394-I411 HydrophobicContact CG2-CG1 4.07Å; I411-V413 HydrophobicContact CG2-CG2 4.3Å
412R97.2Very high95.8Very high17 Ų1747.8 Ų47.86%0.06425%0.246CC..EExtended strand (participates in β ladder)trans-83.6133.6173.8179.9178.6-179.991.42.4110Y239 E241 Y373 N393 D414Y239-R412 PolarHBondContact O-NH1 2.98Å; E241-R412 VanDerWaalsContact OE1-CB 3.32Å; E241-R412 WeakPolarHBondContact OE1-CB 3.23Å; E241-R412 WeakPolarHBondContact OE1-CD 3.23Å; E241-R412 WeakPolarHBondContact OE1-CG 3.26Å; E241-R412 IonicContact OE1-CZ 3.93Å; E241-R412 IonicContact OE1-NE 3.91Å; E241-R412 IonicContact OE1-NH1 2.84Å; E241-R412 PolarHBondContact OE1-NH1 3.48Å; Y373-R412 HydrophobicContact CD2-CG 4.38Å; Y373-R412 HydrophobicContact CE2-CG 4.22Å; Y373-R412 PolarHBondContact OH-NH1 3.1Å; N393-R412 PolarHBondContact O-N 2.89Å; R412-D414 IonicContact CZ-OD1 3.31Å; R412-D414 VanDerWaalsContact CZ-OD1 3.27Å; R412-D414 IonicContact NE-OD1 2.77Å; R412-D414 PolarHBondContact NE-OD1 2.97Å; R412-D414 IonicContact NH2-OD1 3.12Å; R412-D414 PolarHBondContact NH2-OD1 3.12Å
413V96.6Very high95.7Very high4 Ų442.4 Ų42.42%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-131.9110.9176.1-176.50000108.8V370 M371 V372 Y373 V389 I411 S415 L418 L419V370-V413 HydrophobicContact CG1-CG2 3.67Å; M371-V413 PolarHBondContact O-N 3.04Å; V372-V413 CarbonylContact C-O 3.59Å; V372-V413 WeakPolarHBondContact CA-O 3.49Å; V372-V413 HydrophobicContact CG1-CB 4.37Å; V372-V413 HydrophobicContact CG1-CG1 4.21Å; V372-V413 HydrophobicContact CG2-CB 4.29Å; Y373-V413 PolarHBondContact N-O 3.27Å; V389-V413 HydrophobicContact CG1-CG2 3.75Å; V389-V413 HydrophobicContact CG2-CG2 4.48Å; I411-V413 HydrophobicContact CG2-CG2 4.3Å; V413-S415 VanDerWaalsContact C-N 3.27Å; V413-S415 VanDerWaalsContact CG1-O 3.27Å; V413-S415 WeakPolarHBondContact CG1-O 3.39Å; V413-S415 PolarHBondContact O-N 3.08Å; V413-L418 HydrophobicContact CG1-CB 4.09Å; V413-L418 HydrophobicContact CG1-CD1 4.46Å; V413-L419 HydrophobicContact CG1-CD2 3.95Å; V413-L419 HydrophobicContact CG1-CG 4.05Å; V413-L419 HydrophobicContact CG2-CD2 4.13Å
414D93.5Very high95.7Very high72 Ų7242 Ų4239%0.38522%0.219SC..SBendtrans-73.6-16.4-171.7-65.5-50.7000114.4N374 R412N374-D414 PolarHBondContact ND2-O 3.24Å; R412-D414 IonicContact CZ-OD1 3.31Å; R412-D414 VanDerWaalsContact CZ-OD1 3.27Å; R412-D414 IonicContact NE-OD1 2.77Å; R412-D414 PolarHBondContact NE-OD1 2.97Å; R412-D414 IonicContact NH2-OD1 3.12Å; R412-D414 PolarHBondContact NH2-OD1 3.12Å
415S93.4Very high95.5Very high12 Ų1242.7 Ų42.78%0.08423%0.227CC..  trans-151.8141.6176.41650000111.1V413 L417 L418 Q431V413-S415 VanDerWaalsContact C-N 3.27Å; V413-S415 VanDerWaalsContact CG1-O 3.27Å; V413-S415 WeakPolarHBondContact CG1-O 3.39Å; V413-S415 PolarHBondContact O-N 3.08Å; S415-L417 PolarHBondContact O-N 3.35Å; S415-L417 VanDerWaalsContact O-N 3.15Å; S415-L417 WeakPolarHBondContact OG-CB 3.24Å; S415-L417 WeakPolarHBondContact OG-CG 3.18Å; S415-L417 PolarHBondContact OG-N 2.9Å; S415-L418 WeakPolarHBondContact O-CB 3.13Å; S415-L418 PolarHBondContact O-N 2.81Å; S415-L418 VanDerWaalsContact O-N 3.1Å; S415-Q431 PolarHBondContact OG-OE1 2.96Å
416P94.5Very high95.3Very high0 Ų040.4 Ų40.40%021%0.206CC..G310 helixtrans-60.2-23172.925.5-33.9000112.7V372 Y373 T375 W379 L418 L419 Q426 S430 Q431V372-P416 HydrophobicContact CG1-CB 4.07Å; Y373-P416 VanDerWaalsContact O-CD 3.28Å; Y373-P416 WeakPolarHBondContact O-CD 3.48Å; T375-P416 HydrophobicContact CG2-CB 4.39Å; T375-P416 HydrophobicContact CG2-CG 4.22Å; W379-P416 HydrophobicContact CD2-CB 3.87Å; W379-P416 HydrophobicContact CE3-CB 4.33Å; W379-P416 HydrophobicContact CG-CB 4.44Å; W379-P416 HydrophobicContact CH2-CB 4.13Å; W379-P416 HydrophobicContact CZ2-CB 3.65Å; W379-P416 HydrophobicContact CZ3-CB 4.43Å; P416-L418 PolarHBondContact O-N 2.8Å; P416-L418 VanDerWaalsContact O-N 3.13Å; P416-L419 WeakPolarHBondContact O-CB 3.36Å; P416-L419 PolarHBondContact O-N 3.1Å; P416-Q426 WeakPolarHBondContact O-CB 3.33Å; P416-Q426 WeakPolarHBondContact O-CG 3.35Å; P416-S430 VanDerWaalsContact CG-O 3.23Å; P416-S430 WeakPolarHBondContact CG-O 3.43Å; P416-Q431 HydrophobicContact CG-CB 4.22Å
417L94.4Very high95Very high61 Ų6144.2 Ų44.232%0.31923%0.228SC..G310 helixtrans-61.8-20.3176.9-56.6-173.7000113.4S415 L419 Q426 N427 Q431S415-L417 PolarHBondContact O-N 3.35Å; S415-L417 VanDerWaalsContact O-N 3.15Å; S415-L417 WeakPolarHBondContact OG-CB 3.24Å; S415-L417 WeakPolarHBondContact OG-CG 3.18Å; S415-L417 PolarHBondContact OG-N 2.9Å; L417-L419 VanDerWaalsContact C-N 3.27Å; L417-Q426 HydrophobicContact CD2-CB 4.33Å; L417-N427 WeakPolarHBondContact CD2-O 3.05Å; L417-Q431 HydrophobicContact CG-CB 4.37Å
418L94.9Very high94.5Very high61 Ų6143.6 Ų43.632%0.31924%0.236SC..G310 helixtrans-80.2-10.6177.4-54.6-179.9000112.5P315 P390 V413 S415 P416P315-L418 HydrophobicContact CB-CD2 4.14Å; P315-L418 HydrophobicContact CG-CD2 3.99Å; P390-L418 WeakPolarHBondContact CD-O 3.47Å; P390-L418 WeakPolarHBondContact CG-O 3.01Å; V413-L418 HydrophobicContact CG1-CB 4.09Å; V413-L418 HydrophobicContact CG1-CD1 4.46Å; S415-L418 WeakPolarHBondContact O-CB 3.13Å; S415-L418 PolarHBondContact O-N 2.81Å; S415-L418 VanDerWaalsContact O-N 3.1Å; P416-L418 PolarHBondContact O-N 2.8Å; P416-L418 VanDerWaalsContact O-N 3.13Å
419L96.3Very high94Very high0 Ų050.7 Ų50.70%027%0.269CS..  trans-91147.2-178.4-62.3179.4000112.4F358 V372 W379 V387 V389 V413 P416 L417 V421 Q426F358-L419 HydrophobicContact CE1-CD1 4.43Å; V372-L419 HydrophobicContact CG1-CD1 4.14Å; V372-L419 HydrophobicContact CG2-CD1 3.78Å; W379-L419 HydrophobicContact CH2-CD1 3.66Å; W379-L419 HydrophobicContact CZ2-CD1 3.81Å; V387-L419 HydrophobicContact CG1-CD2 4.15Å; V389-L419 HydrophobicContact CB-CD2 4.4Å; V389-L419 HydrophobicContact CG1-CD2 4.36Å; V389-L419 HydrophobicContact CG2-CD2 3.78Å; V413-L419 HydrophobicContact CG1-CD2 3.95Å; V413-L419 HydrophobicContact CG1-CG 4.05Å; V413-L419 HydrophobicContact CG2-CD2 4.13Å; P416-L419 WeakPolarHBondContact O-CB 3.36Å; P416-L419 PolarHBondContact O-N 3.1Å; L417-L419 VanDerWaalsContact C-N 3.27Å; L419-V421 HydrophobicContact CB-CG2 4.42Å; L419-Q426 HydrophobicContact CB-CG 4.28Å
420I95.7Very high93.4Very high0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-111.7118.9164.7-59.9160.1000107.3P306 C307 V387 V388 G423 K424 L425P306-I420 HydrophobicContact CB-CD1 4.43Å; P306-I420 HydrophobicContact CG-CD1 4.46Å; C307-I420 HydrophobicContact CB-CD1 4.3Å; C307-I420 WeakPolarHBondContact SG-CD1 3.33Å; V387-I420 CarbonylContact C-O 3.58Å; V387-I420 WeakPolarHBondContact CA-O 3.23Å; V388-I420 HydrophobicContact CB-CB 4.01Å; V388-I420 HydrophobicContact CB-CD1 4.43Å; V388-I420 HydrophobicContact CG2-CB 4.21Å; V388-I420 HydrophobicContact CG2-CG2 4.4Å; V388-I420 PolarHBondContact N-O 2.91Å; V388-I420 PolarHBondContact O-N 3.05Å; I420-G423 VanDerWaalsContact CG2-C 3.4Å; I420-K424 CarbonylContact C-O 3.57Å; I420-K424 WeakPolarHBondContact CA-O 3.29Å; I420-L425 HydrophobicContact CG1-CD2 3.82Å
421V95.6Very high92.7Very high16 Ų1650.4 Ų50.410%0.09727%0.27CS..EExtended strand (participates in β ladder)trans-114.1123.6-179.8-175.80000107.9V381 D385 S386 V387 L419 G423 K424 Q426V381-V421 HydrophobicContact CG1-CG1 4.16Å; V381-V421 HydrophobicContact CG1-CG2 3.77Å; D385-V421 HydrophobicContact CB-CG1 4.11Å; S386-V421 CarbonylContact O-C 3.59Å; S386-V421 WeakPolarHBondContact O-CA 3.49Å; V387-V421 HydrophobicContact CG2-CG2 4.35Å; L419-V421 HydrophobicContact CB-CG2 4.42Å; V421-G423 PolarHBondContact O-N 3.27Å; V421-K424 PolarHBondContact N-O 3.3Å; V421-K424 PolarHBondContact O-N 3.1Å; V421-Q426 VanDerWaalsContact CG2-NE2 3.32Å
422N94.1Very high91.9Very high82 Ų8254.4 Ų54.444%0.43929%0.29SS..THydrogen-bonded Turntrans50.541.1-177.3-61.4-37.4000112.7D385 S386 K424D385-N422 WeakPolarHBondContact CA-OD1 3.35Å; D385-N422 VanDerWaalsContact CG-ND2 3.34Å; D385-N422 PolarHBondContact OD1-ND2 2.89Å; S386-N422 PolarHBondContact N-OD1 3.34Å; S386-N422 PolarHBondContact O-N 3.03Å; N422-K424 VanDerWaalsContact C-N 3.32Å; N422-K424 PolarHBondContact O-N 2.74Å
423G91.8Very high90.6Very high23 Ų2356.7 Ų56.724%0.23731%0.308CS..THydrogen-bonded Turntrans78.54.8179.400000115.5I420 V421I420-G423 VanDerWaalsContact CG2-C 3.4Å; V421-G423 PolarHBondContact O-N 3.27Å
424K91.9Very high89.2Confident158 Ų15857.6 Ų57.669%0.68731%0.313SS*.EExtended strand (participates in β ladder)trans-118.2141-177.9-61.2-178.6-177.6179.10112.4I420 V421 N422 Q426I420-K424 CarbonylContact C-O 3.57Å; I420-K424 WeakPolarHBondContact CA-O 3.29Å; V421-K424 PolarHBondContact N-O 3.3Å; V421-K424 PolarHBondContact O-N 3.1Å; N422-K424 VanDerWaalsContact C-N 3.32Å; N422-K424 PolarHBondContact O-N 2.74Å; K424-Q426 PolarHBondContact O-NE2 2.99Å
425L92.1Very high87.8Confident100 Ų10059.2 Ų59.252%0.52433%0.33SS..EExtended strand (participates in β ladder)trans-67.3150.1170.1-69.5166.9000110.7P306 I420P306-L425 HydrophobicContact CG-CD1 4.29Å; P306-L425 HydrophobicContact CG-CG 4.11Å; I420-L425 HydrophobicContact CG1-CD2 3.82Å
426Q93.6Very high86.2Confident39 Ų3959.7 Ų59.718%0.18233%0.333CS..PPolyproline II helixtrans-76152.1173.5-52.6-50.8-77.200110.8W379 P416 L417 L419 V421 K424W379-Q426 VanDerWaalsContact NE1-OE1 3.1Å; P416-Q426 WeakPolarHBondContact O-CB 3.33Å; P416-Q426 WeakPolarHBondContact O-CG 3.35Å; L417-Q426 HydrophobicContact CD2-CB 4.33Å; L419-Q426 HydrophobicContact CB-CG 4.28Å; V421-Q426 VanDerWaalsContact CG2-NE2 3.32Å; K424-Q426 PolarHBondContact O-NE2 2.99Å
427N90.3Very high84.2Confident91 Ų9164.8 Ų64.849%0.48737%0.368SS..PPolyproline II helixtrans-89160.5-179.564.633.1000111.3L417 Q429 S430L417-N427 WeakPolarHBondContact CD2-O 3.05Å; N427-Q429 PolarHBondContact O-N 3.11Å; N427-Q429 VanDerWaalsContact O-N 3.12Å; N427-Q429 PolarHBondContact OD1-N 3.02Å; N427-S430 WeakPolarHBondContact O-CB 3.46Å; N427-S430 PolarHBondContact O-N 3.16Å; N427-S430 PolarHBondContact O-OG 3.12Å; N427-S430 VanDerWaalsContact O-OG 3.08Å; N427-S430 PolarHBondContact OD1-N 3.3Å; N427-S430 VanDerWaalsContact OD1-N 3.1Å; N427-S430 PolarHBondContact OD1-OG 3.31Å
428A87.6Confident82.4Confident83 Ų8364 Ų6469%0.68636%0.361SS*.G310 helixtrans-58.6-27.7-179.300000114S430 Q431A428-S430 PolarHBondContact O-N 3.27Å; A428-Q431 PolarHBondContact O-N 3.11Å
429Q87.3Confident80.3Confident159 Ų15965.8 Ų65.874%0.74337%0.368SS*.G310 helixtrans-69.3-12.7177.5-64.6175.3-11.200113.1A376 N427 Q431A376-Q429 WeakPolarHBondContact CB-O 3.35Å; N427-Q429 PolarHBondContact O-N 3.11Å; N427-Q429 VanDerWaalsContact O-N 3.12Å; N427-Q429 PolarHBondContact OD1-N 3.02Å; Q429-Q431 PolarHBondContact O-N 2.58Å
430S83.6Confident79.5Confident8 Ų869.1 Ų69.16%0.05639%0.386CS..G310 helixtrans-74.5-13.5177.9-58.50000113.1A376 P416 N427 A428A376-S430 WeakPolarHBondContact CB-O 3.25Å; A376-S430 PolarHBondContact N-O 3.06Å; P416-S430 VanDerWaalsContact CG-O 3.23Å; P416-S430 WeakPolarHBondContact CG-O 3.43Å; N427-S430 WeakPolarHBondContact O-CB 3.46Å; N427-S430 PolarHBondContact O-N 3.16Å; N427-S430 PolarHBondContact O-OG 3.12Å; N427-S430 VanDerWaalsContact O-OG 3.08Å; N427-S430 PolarHBondContact OD1-N 3.3Å; N427-S430 VanDerWaalsContact OD1-N 3.1Å; N427-S430 PolarHBondContact OD1-OG 3.31Å; A428-S430 PolarHBondContact O-N 3.27Å
431Q84.9Confident78.7Confident72 Ų7272.7 Ų72.734%0.33641%0.406SS..BIsolated β-bridgetrans-110.5130.2-172.5178172-20.200112.5N374 S415 P416 L417 A428 Q429N374-Q431 HydrophobicContact CB-CG 4.11Å; N374-Q431 CarbonylContact O-C 3.56Å; N374-Q431 WeakPolarHBondContact O-CA 3.43Å; N374-Q431 WeakPolarHBondContact O-CG 3.37Å; S415-Q431 PolarHBondContact OG-OE1 2.96Å; P416-Q431 HydrophobicContact CG-CB 4.22Å; L417-Q431 HydrophobicContact CG-CB 4.37Å; A428-Q431 PolarHBondContact O-N 3.11Å; Q429-Q431 PolarHBondContact O-N 2.58Å
432I80Confident77.7Confident84 Ų8475.9 Ų75.943%0.43142%0.424SS..  trans-133127.8167.9-64.3-179000107.9N374 A376 V434N374-I432 CarbonylContact C-O 3.4Å; N374-I432 WeakPolarHBondContact CA-O 3.35Å; N374-I432 PolarHBondContact O-N 3.13Å; A376-I432 HydrophobicContact CB-CD1 3.77Å; A376-I432 HydrophobicContact CB-CG1 3.76Å; I432-V434 PolarHBondContact O-N 3.44Å
433P71.3Confident76.8Confident65 Ų6575.5 Ų75.542%0.42242%0.423SS..  trans-59.8135.2177.9-22.733000112.2N374N374-P433 WeakPolarHBondContact OD1-CA 3.39Å
434V66.9Low75.8Confident24 Ų2478.8 Ų78.815%0.14543%0.434CS..  trans-66.6132.3172.3177.90000109.6F198 Q202 Y239 N374 I432F198-V434 HydrophobicContact CD1-CG1 4.4Å; F198-V434 WeakPolarHBondContact CD1-O 3.13Å; F198-V434 HydrophobicContact CE1-CG1 4.04Å; Q202-V434 PolarHBondContact NE2-O 3.26Å; Y239-V434 HydrophobicContact CD2-CG1 4.44Å; Y239-V434 HydrophobicContact CE2-CB 4.21Å; Y239-V434 HydrophobicContact CE2-CG1 4.17Å; Y239-V434 HydrophobicContact CE2-CG2 4.36Å; N374-V434 PolarHBondContact OD1-N 3.42Å; I432-V434 PolarHBondContact O-N 3.44Å
435S62.9Low74.8Confident105 Ų10573.5 Ų73.573%0.73442%0.417SS*.  trans-116.4145.4168.957.50000110.1
436V59.6Low73.5Confident23 Ų2371.6 Ų71.614%0.13941%0.41CS..  trans-118.6132.3172177.40000107.9F198 N235 M354 Y438F198-V436 HydrophobicContact CD1-CG2 4.19Å; F198-V436 HydrophobicContact CD2-CB 4.17Å; F198-V436 HydrophobicContact CD2-CG2 4.13Å; F198-V436 HydrophobicContact CE1-CG2 3.66Å; F198-V436 HydrophobicContact CE2-CB 3.91Å; F198-V436 HydrophobicContact CE2-CG2 3.54Å; F198-V436 HydrophobicContact CG-CG2 4.42Å; F198-V436 HydrophobicContact CZ-CB 4.19Å; F198-V436 HydrophobicContact CZ-CG2 3.3Å; N235-V436 HydrophobicContact CB-CG1 4.45Å; M354-V436 HydrophobicContact CE-CG2 3.98Å; V436-Y438 HydrophobicContact CB-CE1 3.91Å; V436-Y438 HydrophobicContact CG1-CD1 4.21Å; V436-Y438 HydrophobicContact CG1-CE1 3.88Å; V436-Y438 WeakPolarHBondContact O-CE2 3.3Å; V436-Y438 VanDerWaalsContact O-CZ 3.23Å
437S53.5Low72Confident106 Ų10674.2 Ų74.274%0.74143%0.427SS*.  trans-78.6134.5167.1-57.90000108.1
438Y57.3Low70.5Confident46 Ų4672.8 Ų72.818%0.1842%0.422CS..  trans-106.3142.4178.3-44.9-71.9000108.7L194 S195 F198 V436L194-Y438 HydrophobicContact CB-CE1 4.35Å; L194-Y438 HydrophobicContact CD2-CD1 3.54Å; L194-Y438 HydrophobicContact CD2-CE1 3.4Å; L194-Y438 HydrophobicContact CG-CD1 4.07Å; L194-Y438 HydrophobicContact CG-CE1 3.44Å; L194-Y438 VanDerWaalsContact CG-CE1 3.44Å; S195-Y438 WeakPolarHBondContact CA-OH 3.49Å; S195-Y438 WeakPolarHBondContact OG-CD2 3.19Å; S195-Y438 WeakPolarHBondContact OG-CE2 3.38Å; F198-Y438 WeakPolarHBondContact CB-OH 3.45Å; F198-Y438 HydrophobicContact CD2-CE1 4.3Å; F198-Y438 WeakPolarHBondContact CD2-OH 3.38Å; V436-Y438 HydrophobicContact CB-CE1 3.91Å; V436-Y438 HydrophobicContact CG1-CD1 4.21Å; V436-Y438 HydrophobicContact CG1-CE1 3.88Å; V436-Y438 WeakPolarHBondContact O-CE2 3.3Å; V436-Y438 VanDerWaalsContact O-CZ 3.23Å
439H50.8Low68.9Low98 Ų9871.8 Ų71.845%0.45440%0.398SS..  trans-89.10161.1-67.2-74.1000109.4F231 N232 W260 E262F231-H439 AromaticContact CE1-CD2 3.75Å; N232-H439 PolarHBondContact ND2-O 3.15Å; W260-H439 HydrophobicContact CZ2-CB 4.38Å; W260-H439 AromaticContact CZ2-CD2 3.57Å; E262-H439 IonicContact OE2-CD2 3.27Å; E262-H439 IonicContact OE2-CE1 2.73Å; E262-H439 IonicContact OE2-NE2 2.85Å; E262-H439 PolarHBondContact OE2-NE2 3.47Å

Retrieved 439 of 439 residues in 903.6 ms (Link to these results)

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