A0A3Q0KI71_SCHMA Loading...

ADP/ATP translocase

Catalyzes the exchange of ADP and ATP across the membrane.

AlphaFold DB , UniProt , Accession A0A3Q0KI71, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 311 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
1M25.7Very low58.4Low219 Ų21998 Ų98100%1.07956%0.557SS**  0126.20-82152.761.800109.1
2G33.5Very low60.9Low60 Ų6094.3 Ų94.362%0.61954%0.542SS*.  trans-74.2152.7173.600000110.6G4G2-G4 PolarHBondContact O-N 3.29Å
3E38.6Very low62.6Low102 Ų10297.1 Ų97.148%0.47754%0.544SS..SBendtrans-64.626.7178-59.8-175.8152.600114K28 Y87 Q91E3-K28 IonicContact OE1-NZ 3.11Å; E3-K28 PolarHBondContact OE1-NZ 2.82Å; E3-K28 IonicContact OE2-NZ 3.9Å; E3-K28 PolarHBondContact OE2-NZ 3.21Å; E3-Y87 HydrophobicContact CB-CE2 3.97Å; E3-Y87 PolarHBondContact O-OH 3.06Å; E3-Q91 PolarHBondContact O-NE2 3.49Å
4G43.3Very low64.4Low50 Ų5094.1 Ų94.152%0.51554%0.538SS..  trans-82.5111.5168.700000108.1G2G2-G4 PolarHBondContact O-N 3.29Å
5G52Low65.8Low28 Ų2891.1 Ų91.129%0.28952%0.517SS..PPolyproline II helixtrans-56.9158.9171.200000110.7E7G5-E7 PolarHBondContact O-N 3Å; G5-E7 VanDerWaalsContact O-N 3.15Å
6K61.6Low67Low165 Ų16586.1 Ų86.172%0.71749%0.489SS*.PPolyproline II helixtrans-55.4123.2168.8-72.7-178.6179.5176.60108.5I8K6-I8 PolarHBondContact O-N 3.02Å
7E68Low68.1Low149 Ų14985.4 Ų85.470%0.69648%0.479SS*.PPolyproline II helixtrans-62.6128.2166.7-72.7-177.7170.600108.3G5G5-E7 PolarHBondContact O-N 3Å; G5-E7 VanDerWaalsContact O-N 3.15Å
8I74.8Confident69.2Low33 Ų3387.1 Ų87.117%0.16949%0.486CS..PPolyproline II helixtrans-87.6121.6174.1-59.1-173.4000108.2K6 G10 L11 N16 K297 A301K6-I8 PolarHBondContact O-N 3.02Å; I8-G10 PolarHBondContact O-N 2.89Å; I8-L11 HydrophobicContact CB-CD1 4.07Å; I8-L11 HydrophobicContact CB-CG 4.38Å; I8-L11 HydrophobicContact CG2-CD1 4.46Å; I8-L11 HydrophobicContact CG2-CG 4.46Å; I8-L11 PolarHBondContact O-N 3.33Å; I8-N16 PolarHBondContact N-OD1 3.35Å; I8-N16 PolarHBondContact O-ND2 3.44Å; I8-K297 HydrophobicContact CD1-CB 3.51Å; I8-K297 WeakPolarHBondContact CD1-O 3.38Å; I8-A301 HydrophobicContact CD1-CB 4.06Å; I8-A301 HydrophobicContact CG2-CB 3.57Å
9K78.6Confident70.2Confident194 Ų19483.8 Ų83.884%0.84347%0.467SS*.THydrogen-bonded Turntrans-58.9130174.8-66.5-175.1177.9-177.40109.5L305K9-L305 WeakPolarHBondContact O-CD1 3.4Å
10G82.3Confident70.9Confident62 Ų6280.4 Ų80.464%0.63945%0.449SS*.THydrogen-bonded Turntrans102.3-21.7178.400000114.6I8 L305I8-G10 PolarHBondContact O-N 2.89Å; G10-L305 WeakPolarHBondContact O-CD2 3.38Å
11L84.3Confident71.8Confident16 Ų1676.6 Ų76.68%0.08443%0.428CS..SBendtrans-83148170.6-62.5-176.4000110.7I8 E15 N16 L19 Y300 A301 R304 L305I8-L11 HydrophobicContact CB-CD1 4.07Å; I8-L11 HydrophobicContact CB-CG 4.38Å; I8-L11 HydrophobicContact CG2-CD1 4.46Å; I8-L11 HydrophobicContact CG2-CG 4.46Å; I8-L11 PolarHBondContact O-N 3.33Å; L11-E15 HydrophobicContact CB-CB 4.12Å; L11-N16 PolarHBondContact O-ND2 3.16Å; L11-L19 HydrophobicContact CD1-CD1 3.61Å; L11-Y300 HydrophobicContact CD1-CD1 4.13Å; L11-Y300 HydrophobicContact CD1-CE1 4.18Å; L11-Y300 HydrophobicContact CD2-CD1 4.46Å; L11-Y300 HydrophobicContact CD2-CE1 4.02Å; L11-A301 HydrophobicContact CD1-CB 4.46Å; L11-R304 HydrophobicContact CD2-CG 4.28Å; L11-L305 HydrophobicContact CD2-CD2 4.49Å
12S88Confident74.9Confident53 Ų5368.2 Ų68.237%0.37139%0.394SS..  trans-64.2161.8172.965.80000111.6A14 E15 N16S12-A14 VanDerWaalsContact C-N 3.27Å; S12-A14 PolarHBondContact O-N 2.69Å; S12-E15 WeakPolarHBondContact CB-OE2 3.13Å; S12-E15 PolarHBondContact N-OE2 3.07Å; S12-E15 PolarHBondContact O-N 2.89Å; S12-E15 WeakPolarHBondContact OG-CB 3.28Å; S12-E15 VanDerWaalsContact OG-CG 3.28Å; S12-E15 WeakPolarHBondContact OG-CG 3.31Å; S12-E15 PolarHBondContact OG-N 2.75Å; S12-E15 PolarHBondContact OG-OE2 2.86Å; S12-N16 PolarHBondContact O-N 3.31Å; S12-N16 PolarHBondContact O-ND2 3.33Å
13F83.7Confident77.5Confident131 Ų13165.6 Ų65.658%0.57537%0.366SS*.Hα-helixtrans-56.8-42.8173.6174.4-97.7000111.8E15 N16 F17F13-E15 PolarHBondContact O-N 2.97Å; F13-N16 PolarHBondContact O-N 3.28Å; F13-F17 VanDerWaalsContact O-CB 3.26Å; F13-F17 WeakPolarHBondContact O-CB 3.42Å; F13-F17 PolarHBondContact O-N 2.89Å
14A86.7Confident79.9Confident56 Ų5661.1 Ų61.146%0.46335%0.347SS..Hα-helixtrans-62.4-43.117900000112S12 F17 L18S12-A14 VanDerWaalsContact C-N 3.27Å; S12-A14 PolarHBondContact O-N 2.69Å; A14-F17 PolarHBondContact O-N 3.35Å; A14-L18 WeakPolarHBondContact O-CB 3.41Å; A14-L18 VanDerWaalsContact O-CG 3.29Å; A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 2.8Å
15E86.3Confident82.3Confident48 Ų4860.9 Ų60.922%0.22434%0.336CS..Hα-helixtrans-63.7-48.9176-74.4168.2114.100111.9L11 S12 F13 F17 L18 L19L11-E15 HydrophobicContact CB-CB 4.12Å; S12-E15 WeakPolarHBondContact CB-OE2 3.13Å; S12-E15 PolarHBondContact N-OE2 3.07Å; S12-E15 PolarHBondContact O-N 2.89Å; S12-E15 WeakPolarHBondContact OG-CB 3.28Å; S12-E15 VanDerWaalsContact OG-CG 3.28Å; S12-E15 WeakPolarHBondContact OG-CG 3.31Å; S12-E15 PolarHBondContact OG-N 2.75Å; S12-E15 PolarHBondContact OG-OE2 2.86Å; F13-E15 PolarHBondContact O-N 2.97Å; E15-F17 VanDerWaalsContact C-N 3.29Å; E15-F17 PolarHBondContact O-N 2.95Å; E15-L18 PolarHBondContact O-N 3.41Å; E15-L19 WeakPolarHBondContact O-CB 3.45Å; E15-L19 VanDerWaalsContact O-CG 3.29Å; E15-L19 WeakPolarHBondContact O-CG 3.31Å; E15-L19 PolarHBondContact O-N 3.14Å
16N85.4Confident84.2Confident12 Ų1263.7 Ų63.76%0.06434%0.343CS..Hα-helixtrans-58.7-41.8177.1-85.4-60.8000111.9I8 L11 S12 F13 S20I8-N16 PolarHBondContact N-OD1 3.35Å; I8-N16 PolarHBondContact O-ND2 3.44Å; L11-N16 PolarHBondContact O-ND2 3.16Å; S12-N16 PolarHBondContact O-N 3.31Å; S12-N16 PolarHBondContact O-ND2 3.33Å; F13-N16 PolarHBondContact O-N 3.28Å; N16-S20 WeakPolarHBondContact O-CB 3.05Å; N16-S20 PolarHBondContact O-N 3.18Å; N16-S20 PolarHBondContact O-OG 2.63Å
17F84.7Confident85.6Confident74 Ų7456.2 Ų56.233%0.32531%0.312SS..Hα-helixtrans-64.7-47.9177.8-178.2-97.2000111.9F13 A14 E15 S20 G21 F88 Q91F13-F17 VanDerWaalsContact O-CB 3.26Å; F13-F17 WeakPolarHBondContact O-CB 3.42Å; F13-F17 PolarHBondContact O-N 2.89Å; A14-F17 PolarHBondContact O-N 3.35Å; E15-F17 VanDerWaalsContact C-N 3.29Å; E15-F17 PolarHBondContact O-N 2.95Å; F17-S20 PolarHBondContact O-N 3.34Å; F17-G21 PolarHBondContact O-N 3.24Å; F17-F88 AromaticContact CE1-CD1 4Å; F17-F88 HydrophobicContact CE1-CD1 4Å; F17-F88 HydrophobicContact CE1-CE1 4.38Å; F17-F88 AromaticContact CZ-CD1 3.86Å; F17-F88 HydrophobicContact CZ-CD1 3.86Å; F17-Q91 HydrophobicContact CE2-CB 4.28Å
18L87.8Confident86.7Confident116 Ų11650.1 Ų50.161%0.60728%0.283SS*.Hα-helixtrans-67.3-43.1179.9-71.6174.5000112.2A14 E15 S20 G21 A22A14-L18 WeakPolarHBondContact O-CB 3.41Å; A14-L18 VanDerWaalsContact O-CG 3.29Å; A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 2.8Å; E15-L18 PolarHBondContact O-N 3.41Å; L18-S20 PolarHBondContact O-N 3.44Å; L18-G21 PolarHBondContact O-N 2.72Å; L18-A22 WeakPolarHBondContact O-CB 3.5Å; L18-A22 PolarHBondContact O-N 3.33Å
19L88.2Confident87.7Confident24 Ų2450.9 Ų50.913%0.12629%0.289CS..Hα-helixtrans-62.4-43.2175.7-72.8171000111.3L11 E15 A22 A23 F293 K297 Y300L11-L19 HydrophobicContact CD1-CD1 3.61Å; E15-L19 WeakPolarHBondContact O-CB 3.45Å; E15-L19 VanDerWaalsContact O-CG 3.29Å; E15-L19 WeakPolarHBondContact O-CG 3.31Å; E15-L19 PolarHBondContact O-N 3.14Å; L19-A22 PolarHBondContact O-N 2.9Å; L19-A23 WeakPolarHBondContact O-CB 3.01Å; L19-A23 PolarHBondContact O-N 3.26Å; L19-F293 VanDerWaalsContact O-CE1 3.25Å; L19-F293 WeakPolarHBondContact O-CE1 3.16Å; L19-K297 HydrophobicContact CB-CD 4.05Å; L19-K297 HydrophobicContact CB-CG 4.2Å; L19-Y300 HydrophobicContact CD1-CD1 3.67Å; L19-Y300 HydrophobicContact CD1-CE1 3.87Å; L19-Y300 HydrophobicContact CD2-CD1 4.39Å
20S85.3Confident88.4Confident15 Ų1544.3 Ų44.311%0.10527%0.271CS..Hα-helixtrans-67.1-38.3176.6-61.40000112.1N16 F17 L18 A23 A24N16-S20 WeakPolarHBondContact O-CB 3.05Å; N16-S20 PolarHBondContact O-N 3.18Å; N16-S20 PolarHBondContact O-OG 2.63Å; F17-S20 PolarHBondContact O-N 3.34Å; L18-S20 PolarHBondContact O-N 3.44Å; S20-A23 WeakPolarHBondContact O-CB 3.37Å; S20-A23 PolarHBondContact O-N 3.35Å; S20-A24 WeakPolarHBondContact O-CB 3.49Å; S20-A24 PolarHBondContact O-N 3.3Å
21G89.9Confident89Confident1 Ų141.8 Ų41.81%0.0124%0.244CC..Hα-helixtrans-61-48.6172.400000112.4F17 L18 A24 V25F17-G21 PolarHBondContact O-N 3.24Å; L18-G21 PolarHBondContact O-N 2.72Å; G21-A24 PolarHBondContact O-N 3.48Å; G21-V25 VanDerWaalsContact O-CG2 3.31Å; G21-V25 WeakPolarHBondContact O-CG2 3.31Å; G21-V25 PolarHBondContact O-N 3.12Å
22A89.6Confident89.6Confident43 Ų4341.3 Ų41.336%0.35524%0.243SC..Hα-helixtrans-60.2-46.517600000111.4L18 L19 A24 V25 I26 F293L18-A22 WeakPolarHBondContact O-CB 3.5Å; L18-A22 PolarHBondContact O-N 3.33Å; L19-A22 PolarHBondContact O-N 2.9Å; A22-A24 VanDerWaalsContact C-N 3.3Å; A22-A24 PolarHBondContact O-N 3.34Å; A22-V25 PolarHBondContact O-N 2.84Å; A22-I26 WeakPolarHBondContact O-CB 3.43Å; A22-I26 VanDerWaalsContact O-CG1 3.28Å; A22-I26 WeakPolarHBondContact O-CG1 3.32Å; A22-I26 PolarHBondContact O-N 3.12Å; A22-F293 HydrophobicContact CB-CZ 4.22Å
23A88.6Confident90Very high5 Ų540.2 Ų40.24%0.04123%0.234CC..Hα-helixtrans-52.6-49.5174.600000111.6L19 S20 I26 A27 F293L19-A23 WeakPolarHBondContact O-CB 3.01Å; L19-A23 PolarHBondContact O-N 3.26Å; S20-A23 WeakPolarHBondContact O-CB 3.37Å; S20-A23 PolarHBondContact O-N 3.35Å; A23-I26 PolarHBondContact O-N 3.39Å; A23-A27 VanDerWaalsContact O-CB 3.27Å; A23-A27 WeakPolarHBondContact O-CB 3.25Å; A23-A27 PolarHBondContact O-N 3.18Å; A23-F293 HydrophobicContact CB-CB 4.22Å; A23-F293 HydrophobicContact CB-CD1 3.11Å; A23-F293 HydrophobicContact CB-CD2 4.23Å; A23-F293 HydrophobicContact CB-CE1 3.35Å; A23-F293 HydrophobicContact CB-CE2 4.42Å; A23-F293 HydrophobicContact CB-CG 3.59Å; A23-F293 HydrophobicContact CB-CZ 4.02Å
24A89.7Confident90.6Very high8 Ų836 Ų367%0.06622%0.217CC..Hα-helixtrans-67.4-41.5-177.300000112.1S20 G21 A22 K28 Y87S20-A24 WeakPolarHBondContact O-CB 3.49Å; S20-A24 PolarHBondContact O-N 3.3Å; G21-A24 PolarHBondContact O-N 3.48Å; A22-A24 VanDerWaalsContact C-N 3.3Å; A22-A24 PolarHBondContact O-N 3.34Å; A24-K28 VanDerWaalsContact O-CB 3.29Å; A24-K28 WeakPolarHBondContact O-CB 3.28Å; A24-K28 WeakPolarHBondContact O-CG 3.19Å; A24-K28 PolarHBondContact O-N 2.92Å; A24-Y87 HydrophobicContact CB-CD1 4.03Å; A24-Y87 HydrophobicContact CB-CD2 3.46Å; A24-Y87 VanDerWaalsContact CB-CD2 3.46Å; A24-Y87 HydrophobicContact CB-CE1 3.93Å; A24-Y87 HydrophobicContact CB-CE2 3.32Å; A24-Y87 HydrophobicContact CB-CG 3.81Å
25V92.8Very high91.1Very high46 Ų4633.7 Ų33.728%0.27920%0.197SC..Hα-helixtrans-64.7-44.1176.8171.20000110.8G21 A22 K28 T29 C84 F88G21-V25 VanDerWaalsContact O-CG2 3.31Å; G21-V25 WeakPolarHBondContact O-CG2 3.31Å; G21-V25 PolarHBondContact O-N 3.12Å; A22-V25 PolarHBondContact O-N 2.84Å; V25-K28 PolarHBondContact O-N 2.63Å; V25-T29 VanDerWaalsContact O-CB 3.25Å; V25-T29 WeakPolarHBondContact O-CB 3.45Å; V25-T29 PolarHBondContact O-N 2.94Å; V25-T29 PolarHBondContact O-OG1 3.46Å; V25-C84 HydrophobicContact CG1-CB 4.37Å; V25-C84 HydrophobicContact CG2-CB 4.2Å; V25-F88 HydrophobicContact CG2-CE2 4.23Å; V25-F88 HydrophobicContact CG2-CZ 4.29Å
26I91.5Very high91.6Very high87 Ų8731.6 Ų31.645%0.44619%0.187SC..Hα-helixtrans-63.7-49.1177.1-69164.9000110.3A22 A23 K28 T29 A30 V289 F293A22-I26 WeakPolarHBondContact O-CB 3.43Å; A22-I26 VanDerWaalsContact O-CG1 3.28Å; A22-I26 WeakPolarHBondContact O-CG1 3.32Å; A22-I26 PolarHBondContact O-N 3.12Å; A23-I26 PolarHBondContact O-N 3.39Å; I26-K28 PolarHBondContact O-N 2.73Å; I26-T29 PolarHBondContact O-N 2.69Å; I26-T29 VanDerWaalsContact O-N 3.13Å; I26-A30 WeakPolarHBondContact O-CB 3.4Å; I26-A30 PolarHBondContact O-N 2.65Å; I26-V289 HydrophobicContact CG2-CG1 4.19Å; I26-F293 HydrophobicContact CD1-CD2 4.26Å; I26-F293 HydrophobicContact CD1-CE2 3.71Å
27A91Very high92.2Very high7 Ų731.3 Ų31.36%0.05819%0.185CC..Hα-helixtrans-59.7-44.2178.400000112.3A23 T29 A30 A31 V289 L290A23-A27 VanDerWaalsContact O-CB 3.27Å; A23-A27 WeakPolarHBondContact O-CB 3.25Å; A23-A27 PolarHBondContact O-N 3.18Å; A27-T29 VanDerWaalsContact C-N 3.32Å; A27-T29 PolarHBondContact O-N 3.25Å; A27-A30 PolarHBondContact O-N 3.2Å; A27-A31 WeakPolarHBondContact O-CB 3.48Å; A27-A31 PolarHBondContact O-N 2.84Å; A27-A31 VanDerWaalsContact O-N 3.08Å; A27-V289 HydrophobicContact CB-CB 4.22Å; A27-V289 HydrophobicContact CB-CG1 3.89Å; A27-L290 HydrophobicContact CB-CD2 3.88Å; A27-L290 HydrophobicContact CB-CG 4.01Å
28K92.6Very high92.8Very high21 Ų2128 Ų289%0.09117%0.171CC..Hα-helixtrans-64.4-37.5176-72.9179.6-155.7-59.50111.6E3 A24 V25 I26 A32 N80 N83E3-K28 IonicContact OE1-NZ 3.11Å; E3-K28 PolarHBondContact OE1-NZ 2.82Å; E3-K28 IonicContact OE2-NZ 3.9Å; E3-K28 PolarHBondContact OE2-NZ 3.21Å; A24-K28 VanDerWaalsContact O-CB 3.29Å; A24-K28 WeakPolarHBondContact O-CB 3.28Å; A24-K28 WeakPolarHBondContact O-CG 3.19Å; A24-K28 PolarHBondContact O-N 2.92Å; V25-K28 PolarHBondContact O-N 2.63Å; I26-K28 PolarHBondContact O-N 2.73Å; K28-A32 WeakPolarHBondContact O-CB 3.19Å; K28-A32 PolarHBondContact O-N 3.16Å; K28-N80 PolarHBondContact O-OD1 3.39Å; K28-N83 WeakPolarHBondContact CD-O 3.48Å
29T95.1Very high93.3Very high49 Ų4922.6 Ų22.630%0.30114%0.143SC..Hα-helixtrans-70.8-41.5178.2-59.60000112.3V25 I26 A27 A31 A32 W77 N80V25-T29 VanDerWaalsContact O-CB 3.25Å; V25-T29 WeakPolarHBondContact O-CB 3.45Å; V25-T29 PolarHBondContact O-N 2.94Å; V25-T29 PolarHBondContact O-OG1 3.46Å; I26-T29 PolarHBondContact O-N 2.69Å; I26-T29 VanDerWaalsContact O-N 3.13Å; A27-T29 VanDerWaalsContact C-N 3.32Å; A27-T29 PolarHBondContact O-N 3.25Å; T29-A31 VanDerWaalsContact C-N 3.33Å; T29-A31 PolarHBondContact O-N 2.66Å; T29-A32 WeakPolarHBondContact O-CB 3.24Å; T29-A32 PolarHBondContact O-N 3.38Å; T29-W77 PolarHBondContact O-NE1 2.89Å; T29-N80 PolarHBondContact OG1-ND2 2.75Å
30A92.9Very high93.8Very high56 Ų5621.4 Ų21.446%0.46314%0.137SC..Hα-helixtrans-63.2-39.4175.300000111.9I26 A27 V289I26-A30 WeakPolarHBondContact O-CB 3.4Å; I26-A30 PolarHBondContact O-N 2.65Å; A27-A30 PolarHBondContact O-N 3.2Å; A30-V289 HydrophobicContact CB-CG2 3.85Å
31A94.6Very high94.4Very high9 Ų921.2 Ų21.27%0.07414%0.135CC..THydrogen-bonded Turntrans-85.1-4.5178.900000114.2A27 T29 I34 E35 R282A27-A31 WeakPolarHBondContact O-CB 3.48Å; A27-A31 PolarHBondContact O-N 2.84Å; A27-A31 VanDerWaalsContact O-N 3.08Å; T29-A31 VanDerWaalsContact C-N 3.33Å; T29-A31 PolarHBondContact O-N 2.66Å; A31-I34 PolarHBondContact O-N 2.94Å; A31-E35 PolarHBondContact O-N 3.17Å; A31-E35 VanDerWaalsContact O-N 3.09Å; A31-R282 HydrophobicContact CB-CG 4.1Å
32A96.4Very high94.8Very high6 Ų621.1 Ų21.15%0.0513%0.134CC..Hα-helixtrans-61.7-40.7-172.700000114.4K28 T29 I34 E35 R36 W77 N80K28-A32 WeakPolarHBondContact O-CB 3.19Å; K28-A32 PolarHBondContact O-N 3.16Å; T29-A32 WeakPolarHBondContact O-CB 3.24Å; T29-A32 PolarHBondContact O-N 3.38Å; A32-I34 PolarHBondContact O-N 3.37Å; A32-E35 PolarHBondContact O-N 3.17Å; A32-R36 PolarHBondContact O-N 3.36Å; A32-W77 HydrophobicContact CB-CG 4.26Å; A32-N80 HydrophobicContact CB-CB 3.95Å
33P97.1Very high95.2Very high30 Ų3019.1 Ų19.120%0.19512%0.117CC..Hα-helixtrans-58.2-44.9176.9-28.137.7000113.1R36 V37 F76 W77P33-R36 PolarHBondContact O-N 2.95Å; P33-V37 WeakPolarHBondContact O-CG2 3.31Å; P33-V37 PolarHBondContact O-N 3.01Å; P33-F76 HydrophobicContact CB-CB 3.96Å; P33-F76 HydrophobicContact CB-CD1 4.22Å; P33-F76 HydrophobicContact CB-CG 4.39Å; P33-F76 HydrophobicContact CG-CB 4.2Å; P33-W77 HydrophobicContact CG-CD2 4.23Å; P33-W77 HydrophobicContact CG-CE3 4.45Å; P33-W77 HydrophobicContact CG-CH2 3.75Å; P33-W77 HydrophobicContact CG-CZ2 3.46Å; P33-W77 VanDerWaalsContact CG-CZ2 3.46Å; P33-W77 HydrophobicContact CG-CZ3 4.24Å
34I96.3Very high95.6Very high43 Ų4319.2 Ų19.222%0.22112%0.117CC..Hα-helixtrans-66-41.8179.1-59.4162.1000110A31 A32 R36 V37 K38 A278 L281 R282 A285A31-I34 PolarHBondContact O-N 2.94Å; A32-I34 PolarHBondContact O-N 3.37Å; I34-R36 PolarHBondContact O-N 2.83Å; I34-V37 PolarHBondContact O-N 3.16Å; I34-K38 PolarHBondContact O-N 3.32Å; I34-A278 HydrophobicContact CG2-CB 4.37Å; I34-A278 VanDerWaalsContact CG2-O 3.27Å; I34-A278 WeakPolarHBondContact CG2-O 3.43Å; I34-L281 HydrophobicContact CD1-CD2 4.26Å; I34-L281 HydrophobicContact CD1-CG 4.11Å; I34-L281 HydrophobicContact CG1-CD2 4.47Å; I34-L281 HydrophobicContact CG2-CB 4.31Å; I34-L281 HydrophobicContact CG2-CD2 4.32Å; I34-L281 HydrophobicContact CG2-CG 4.36Å; I34-R282 HydrophobicContact CB-CB 4.48Å; I34-R282 HydrophobicContact CG2-CB 3.9Å; I34-A285 HydrophobicContact CD1-CB 4Å
35E96.4Very high96Very high8 Ų820 Ų204%0.03712%0.12CC..Hα-helixtrans-62-42.8175.1-179.679.6144.100112.1A31 A32 V37 K38 L39 R142 R282A31-E35 PolarHBondContact O-N 3.17Å; A31-E35 VanDerWaalsContact O-N 3.09Å; A32-E35 PolarHBondContact O-N 3.17Å; E35-V37 VanDerWaalsContact C-N 3.32Å; E35-V37 PolarHBondContact O-N 3.15Å; E35-K38 WeakPolarHBondContact O-CB 3.42Å; E35-K38 PolarHBondContact O-N 2.75Å; E35-K38 WeakPolarHBondContact OE2-CD 3.47Å; E35-L39 HydrophobicContact CG-CD1 4.11Å; E35-L39 HydrophobicContact CG-CG 4.45Å; E35-L39 WeakPolarHBondContact O-CG 3.17Å; E35-L39 PolarHBondContact O-N 3.37Å; E35-R142 IonicContact OE1-CZ 3.56Å; E35-R142 IonicContact OE1-NE 3.52Å; E35-R142 IonicContact OE1-NH1 2.75Å; E35-R142 PolarHBondContact OE1-NH1 2.85Å; E35-R142 IonicContact OE1-NH2 3.29Å; E35-R142 PolarHBondContact OE1-NH2 3.18Å; E35-R282 WeakPolarHBondContact OE2-CD 3.42Å; E35-R282 IonicContact OE2-CZ 2.74Å; E35-R282 IonicContact OE2-NE 2.74Å; E35-R282 PolarHBondContact OE2-NE 2.99Å
36R97.7Very high96.1Very high4 Ų418.2 Ų18.22%0.01511%0.109CC..Hα-helixtrans-61.9-45.6178.9-169.8-174.7-179.2-148.73.9110.2A32 P33 I34 K38 L39 L40 T67 E71 P75 F76 A146 N149A32-R36 PolarHBondContact O-N 3.36Å; P33-R36 PolarHBondContact O-N 2.95Å; I34-R36 PolarHBondContact O-N 2.83Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 3.11Å; R36-L39 PolarHBondContact O-N 3.15Å; R36-L39 VanDerWaalsContact O-N 3.15Å; R36-L40 HydrophobicContact CG-CD1 4.04Å; R36-L40 HydrophobicContact CG-CG 4.29Å; R36-L40 VanDerWaalsContact O-CG 3.26Å; R36-L40 WeakPolarHBondContact O-CG 3.44Å; R36-L40 PolarHBondContact O-N 2.76Å; R36-T67 VanDerWaalsContact NH1-CG2 3.32Å; R36-E71 IonicContact CZ-OE2 3.29Å; R36-E71 IonicContact NH1-OE2 3.66Å; R36-E71 PolarHBondContact NH1-OE2 2.74Å; R36-E71 IonicContact NH2-OE1 3.93Å; R36-E71 IonicContact NH2-OE2 3.31Å; R36-E71 PolarHBondContact NH2-OE2 3.16Å; R36-P75 WeakPolarHBondContact CD-O 3.29Å; R36-P75 PolarHBondContact NE-O 3.47Å; R36-P75 VanDerWaalsContact NE-O 3.16Å; R36-P75 PolarHBondContact NH1-O 3.11Å; R36-F76 WeakPolarHBondContact CB-O 3.42Å; R36-A146 HydrophobicContact CG-CB 4.36Å; R36-A146 PolarHBondContact NE-O 2.95Å; R36-N149 PolarHBondContact NH2-OD1 3.16Å
37V97.7Very high96.4Very high5 Ų514.1 Ų14.13%0.039%0.087CC..Hα-helixtrans-60.9-41.2176.5176.50000111.6P33 I34 E35 L39 L40 V41 V60 C63 F76P33-V37 WeakPolarHBondContact O-CG2 3.31Å; P33-V37 PolarHBondContact O-N 3.01Å; I34-V37 PolarHBondContact O-N 3.16Å; E35-V37 VanDerWaalsContact C-N 3.32Å; E35-V37 PolarHBondContact O-N 3.15Å; V37-L39 PolarHBondContact O-N 2.68Å; V37-L40 PolarHBondContact O-N 3.25Å; V37-V41 HydrophobicContact CG1-CG2 4.38Å; V37-V41 WeakPolarHBondContact O-CG2 3.13Å; V37-V41 PolarHBondContact O-N 3.23Å; V37-V60 HydrophobicContact CG1-CB 4.39Å; V37-V60 HydrophobicContact CG1-CG1 3.65Å; V37-C63 HydrophobicContact CG1-CB 4.2Å; V37-F76 HydrophobicContact CG2-CD1 4.14Å; V37-F76 HydrophobicContact CG2-CE1 3.74Å
38K97.9Very high96.5Very high6 Ų616.2 Ų16.23%0.02610%0.097CC..Hα-helixtrans-53.4-54.3171.6178.7-149.3164.9177.70110.5I34 E35 R36 L40 V41 Q42 Y234 D237 A278 N279I34-K38 PolarHBondContact O-N 3.32Å; E35-K38 WeakPolarHBondContact O-CB 3.42Å; E35-K38 PolarHBondContact O-N 2.75Å; E35-K38 WeakPolarHBondContact OE2-CD 3.47Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 3.11Å; K38-L40 PolarHBondContact O-N 3.4Å; K38-V41 PolarHBondContact O-N 2.93Å; K38-Q42 WeakPolarHBondContact O-CB 3.17Å; K38-Q42 PolarHBondContact O-N 2.77Å; K38-Y234 WeakPolarHBondContact CE-OH 3.47Å; K38-D237 IonicContact NZ-OD2 3.37Å; K38-D237 PolarHBondContact NZ-OD2 2.77Å; K38-A278 HydrophobicContact CB-CB 3.81Å; K38-A278 HydrophobicContact CG-CB 4.43Å; K38-N279 HydrophobicContact CD-CB 3.87Å; K38-N279 HydrophobicContact CG-CB 4.23Å; K38-N279 PolarHBondContact NZ-OD1 3.21Å; K38-N279 VanDerWaalsContact NZ-OD1 3.12Å
39L98.4Very high96.6Very high1 Ų121 Ų211%0.00512%0.118CC..Hα-helixtrans-62.9-42.3-176-70.6172.7000111.8E35 R36 V37 Q42 N43 R142 A146 N147 R241E35-L39 HydrophobicContact CG-CD1 4.11Å; E35-L39 HydrophobicContact CG-CG 4.45Å; E35-L39 WeakPolarHBondContact O-CG 3.17Å; E35-L39 PolarHBondContact O-N 3.37Å; R36-L39 PolarHBondContact O-N 3.15Å; R36-L39 VanDerWaalsContact O-N 3.15Å; V37-L39 PolarHBondContact O-N 2.68Å; L39-Q42 PolarHBondContact O-N 2.82Å; L39-N43 WeakPolarHBondContact O-CB 3.34Å; L39-N43 PolarHBondContact O-N 3.27Å; L39-N43 PolarHBondContact O-ND2 2.84Å; L39-R142 HydrophobicContact CD1-CG 4.5Å; L39-A146 HydrophobicContact CB-CB 4.16Å; L39-A146 HydrophobicContact CD1-CB 3.49Å; L39-A146 VanDerWaalsContact CD1-CB 3.49Å; L39-A146 HydrophobicContact CG-CB 4.48Å; L39-N147 PolarHBondContact O-OD1 3.31Å; L39-R241 HydrophobicContact CD2-CG 4.43Å
40L98.2Very high96.4Very high0 Ų019.7 Ų19.70%011%0.109CC..Hα-helixtrans-59.5-49.7177.3-71170000111.6R36 V37 K38 N43 Q44 M47 Y57 C63 T67 N147 N149R36-L40 HydrophobicContact CG-CD1 4.04Å; R36-L40 HydrophobicContact CG-CG 4.29Å; R36-L40 VanDerWaalsContact O-CG 3.26Å; R36-L40 WeakPolarHBondContact O-CG 3.44Å; R36-L40 PolarHBondContact O-N 2.76Å; V37-L40 PolarHBondContact O-N 3.25Å; K38-L40 PolarHBondContact O-N 3.4Å; L40-N43 PolarHBondContact O-N 3.26Å; L40-Q44 WeakPolarHBondContact O-CA 3.47Å; L40-Q44 WeakPolarHBondContact O-CB 3.46Å; L40-Q44 PolarHBondContact O-N 2.88Å; L40-M47 HydrophobicContact CD2-CE 3.56Å; L40-M47 HydrophobicContact CD2-SD 3.82Å; L40-Y57 HydrophobicContact CB-CE2 4.1Å; L40-C63 VanDerWaalsContact CB-SG 3.53Å; L40-T67 HydrophobicContact CD1-CG2 4.36Å; L40-N147 WeakPolarHBondContact CA-OD1 3.35Å; L40-N147 PolarHBondContact N-OD1 3.23Å; L40-N149 VanDerWaalsContact CD2-OD1 3.28Å; L40-N149 WeakPolarHBondContact CD2-OD1 3.43Å
41V98.1Very high96.4Very high10 Ų1017.4 Ų17.46%0.0619%0.09CC..Hα-helixtrans-66.7-41.5178.2176.10000111V37 K38 N43 Q44 Y57 C63 K274V37-V41 HydrophobicContact CG1-CG2 4.38Å; V37-V41 WeakPolarHBondContact O-CG2 3.13Å; V37-V41 PolarHBondContact O-N 3.23Å; K38-V41 PolarHBondContact O-N 2.93Å; V41-N43 VanDerWaalsContact C-N 3.3Å; V41-N43 PolarHBondContact O-N 3.14Å; V41-Q44 WeakPolarHBondContact O-CG 3.25Å; V41-Y57 HydrophobicContact CG2-CD2 4.3Å; V41-C63 HydrophobicContact CG2-CB 3.62Å; V41-K274 HydrophobicContact CG1-CB 4.13Å
42Q98.3Very high96.3Very high0 Ų018.1 Ų18.10%09%0.091CC..Hα-helixtrans-65.6-29.4-179.4-174.1179.537.600113.1K38 L39 Y234 D237 T238 R242 K274K38-Q42 WeakPolarHBondContact O-CB 3.17Å; K38-Q42 PolarHBondContact O-N 2.77Å; L39-Q42 PolarHBondContact O-N 2.82Å; Q42-Y234 PolarHBondContact NE2-OH 2.95Å; Q42-D237 PolarHBondContact NE2-OD2 3.41Å; Q42-T238 HydrophobicContact CG-CG2 4.07Å; Q42-T238 PolarHBondContact NE2-OG1 3.46Å; Q42-R242 PolarHBondContact O-NE 3.44Å; Q42-R242 PolarHBondContact O-NH2 3.07Å; Q42-K274 WeakPolarHBondContact CB-O 3.2Å
43N98.4Very high96.2Very high0 Ų017.9 Ų17.90%09%0.089CC..THydrogen-bonded Turntrans-112.910.5-175.8-62-74.3000114.1L39 L40 V41 D45 E46 M47 N147 R241 R242 M245L39-N43 WeakPolarHBondContact O-CB 3.34Å; L39-N43 PolarHBondContact O-N 3.27Å; L39-N43 PolarHBondContact O-ND2 2.84Å; L40-N43 PolarHBondContact O-N 3.26Å; V41-N43 VanDerWaalsContact C-N 3.3Å; V41-N43 PolarHBondContact O-N 3.14Å; N43-D45 VanDerWaalsContact C-N 3.29Å; N43-D45 PolarHBondContact O-N 2.81Å; N43-E46 WeakPolarHBondContact O-CB 3.48Å; N43-E46 PolarHBondContact O-N 3.26Å; N43-M47 WeakPolarHBondContact O-CG 3.32Å; N43-M47 PolarHBondContact O-N 2.91Å; N43-N147 PolarHBondContact ND2-ND2 2.92Å; N43-R241 VanDerWaalsContact OD1-CB 3.27Å; N43-R241 WeakPolarHBondContact OD1-CB 3.26Å; N43-R241 PolarHBondContact OD1-O 2.89Å; N43-R242 PolarHBondContact OD1-N 3.37Å; N43-M245 HydrophobicContact CB-CG 4.35Å
44Q97.2Very high96Very high7 Ų720.5 Ų20.53%0.03310%0.102CC..Hα-helixtrans-56.4-38-170.566.5179.4-12.200114.2L40 V41 E46 M47 I48 L53 Y57 K274L40-Q44 WeakPolarHBondContact O-CA 3.47Å; L40-Q44 WeakPolarHBondContact O-CB 3.46Å; L40-Q44 PolarHBondContact O-N 2.88Å; V41-Q44 WeakPolarHBondContact O-CG 3.25Å; Q44-E46 VanDerWaalsContact C-N 3.31Å; Q44-E46 PolarHBondContact O-N 3.43Å; Q44-M47 CarbonylContact O-C 3.54Å; Q44-M47 WeakPolarHBondContact O-CA 3.29Å; Q44-M47 WeakPolarHBondContact O-CB 3.26Å; Q44-M47 PolarHBondContact O-N 2.93Å; Q44-M47 VanDerWaalsContact O-N 3.11Å; Q44-I48 VanDerWaalsContact O-CG1 3.31Å; Q44-I48 WeakPolarHBondContact O-CG1 3.49Å; Q44-I48 PolarHBondContact O-N 2.9Å; Q44-L53 HydrophobicContact CB-CD2 3.7Å; Q44-Y57 HydrophobicContact CB-CD2 3.95Å; Q44-Y57 HydrophobicContact CB-CE2 4.23Å; Q44-Y57 VanDerWaalsContact OE1-CD2 3.26Å; Q44-K274 HydrophobicContact CG-CD 4.4Å
45D97Very high95.9Very high24 Ų2424.3 Ų24.313%0.12812%0.116CC..Hα-helixtrans-72.2-29.1-177.4-35.1-100000111.2N43 I48 K49 R242 E267 K274N43-D45 VanDerWaalsContact C-N 3.29Å; N43-D45 PolarHBondContact O-N 2.81Å; D45-I48 PolarHBondContact O-N 3.4Å; D45-K49 WeakPolarHBondContact O-CG 3.37Å; D45-K49 PolarHBondContact O-N 3.31Å; D45-K49 VanDerWaalsContact O-N 3.1Å; D45-R242 IonicContact OD2-CZ 2.66Å; D45-R242 IonicContact OD2-NH1 3.37Å; D45-R242 PolarHBondContact OD2-NH1 3.28Å; D45-R242 VanDerWaalsContact OD2-NH1 3.14Å; D45-R242 IonicContact OD2-NH2 3.47Å; D45-R242 PolarHBondContact OD2-NH2 3.31Å; D45-E267 HydrophobicContact CB-CG 4.47Å; D45-K274 VanDerWaalsContact CG-NZ 3.31Å; D45-K274 IonicContact OD1-NZ 2.95Å; D45-K274 PolarHBondContact OD1-NZ 3.44Å; D45-K274 IonicContact OD2-NZ 2.95Å; D45-K274 PolarHBondContact OD2-NZ 3.14Å
46E96.5Very high95.9Very high10 Ų1027.1 Ų27.15%0.04714%0.136CC..Hα-helixtrans-69.6-38.6167.7-63.3-51.5123.200111.8N43 Q44 I48 K49 Q50 R242 M245 Y253N43-E46 WeakPolarHBondContact O-CB 3.48Å; N43-E46 PolarHBondContact O-N 3.26Å; Q44-E46 VanDerWaalsContact C-N 3.31Å; Q44-E46 PolarHBondContact O-N 3.43Å; E46-I48 VanDerWaalsContact C-N 3.25Å; E46-I48 PolarHBondContact O-N 3.08Å; E46-K49 PolarHBondContact O-N 3.29Å; E46-K49 IonicContact OE1-NZ 2.65Å; E46-K49 PolarHBondContact OE1-NZ 3.1Å; E46-Q50 WeakPolarHBondContact O-CB 3.38Å; E46-Q50 WeakPolarHBondContact O-CG 3.49Å; E46-Q50 PolarHBondContact O-N 3.04Å; E46-R242 HydrophobicContact CG-CB 4.39Å; E46-R242 IonicContact OE1-NH1 3.93Å; E46-M245 HydrophobicContact CB-CB 3.99Å; E46-M245 HydrophobicContact CB-CG 4.39Å; E46-M245 HydrophobicContact CG-CB 4.21Å; E46-Y253 PolarHBondContact OE1-OH 3.22Å
47M95.9Very high95.9Very high0 Ų027.5 Ų27.50%014%0.137CC..Hα-helixtrans-62.4-35.3174.8-63.5172.361.900111.8L40 N43 Q44 Q50 G51 R52 L53 N147 N149 M245L40-M47 HydrophobicContact CD2-CE 3.56Å; L40-M47 HydrophobicContact CD2-SD 3.82Å; N43-M47 WeakPolarHBondContact O-CG 3.32Å; N43-M47 PolarHBondContact O-N 2.91Å; Q44-M47 CarbonylContact O-C 3.54Å; Q44-M47 WeakPolarHBondContact O-CA 3.29Å; Q44-M47 WeakPolarHBondContact O-CB 3.26Å; Q44-M47 PolarHBondContact O-N 2.93Å; Q44-M47 VanDerWaalsContact O-N 3.11Å; M47-Q50 CarbonylContact O-C 3.59Å; M47-Q50 PolarHBondContact O-N 3.05Å; M47-G51 PolarHBondContact O-N 3.16Å; M47-G51 VanDerWaalsContact O-N 3.17Å; M47-R52 HydrophobicContact CB-CB 4.19Å; M47-R52 WeakPolarHBondContact O-CA 3.36Å; M47-R52 PolarHBondContact O-N 3.29Å; M47-L53 HydrophobicContact CB-CB 3.84Å; M47-L53 HydrophobicContact CE-CB 4.42Å; M47-L53 PolarHBondContact O-N 3.28Å; M47-N147 HydrophobicContact CG-CB 4.24Å; M47-N147 HydrophobicContact SD-CB 4.15Å; M47-N149 HydrophobicContact CE-CB 3.84Å; M47-N149 WeakPolarHBondContact CE-ND2 3.43Å; M47-M245 HydrophobicContact CG-CE 4.49Å
48I95Very high95.8Very high51 Ų5133.5 Ų33.526%0.26217%0.174SC..Hα-helixtrans-66.1-48.7174.7-67.1166000110.5Q44 D45 E46 Q50 G51 L53 P56Q44-I48 VanDerWaalsContact O-CG1 3.31Å; Q44-I48 WeakPolarHBondContact O-CG1 3.49Å; Q44-I48 PolarHBondContact O-N 2.9Å; D45-I48 PolarHBondContact O-N 3.4Å; E46-I48 VanDerWaalsContact C-N 3.25Å; E46-I48 PolarHBondContact O-N 3.08Å; I48-Q50 PolarHBondContact O-N 3.28Å; I48-G51 PolarHBondContact O-N 3.19Å; I48-L53 WeakPolarHBondContact CA-O 3.46Å; I48-L53 HydrophobicContact CD1-CD2 4.33Å; I48-L53 HydrophobicContact CG1-CB 3.89Å; I48-L53 HydrophobicContact CG1-CD2 4.03Å; I48-L53 HydrophobicContact CG1-CG 4.08Å; I48-P56 HydrophobicContact CD1-CB 4.34Å; I48-P56 HydrophobicContact CD1-CG 3.67Å
49K93.3Very high95.5Very high122 Ų12234.5 Ų34.553%0.5319%0.186SC..Hα-helixtrans-55.6-33.4175.1-68.3168.9-165.1166.90111.9D45 E46 E267D45-K49 WeakPolarHBondContact O-CG 3.37Å; D45-K49 PolarHBondContact O-N 3.31Å; D45-K49 VanDerWaalsContact O-N 3.1Å; E46-K49 PolarHBondContact O-N 3.29Å; E46-K49 IonicContact OE1-NZ 2.65Å; E46-K49 PolarHBondContact OE1-NZ 3.1Å; K49-E267 IonicContact NZ-OE1 3.51Å
50Q92.3Very high95.4Very high22 Ų2237.4 Ų37.410%0.10320%0.203CC..THydrogen-bonded Turntrans-86-1.6179-65.3174.322.100114.2E46 M47 I48 R52 M245 Q249E46-Q50 WeakPolarHBondContact O-CB 3.38Å; E46-Q50 WeakPolarHBondContact O-CG 3.49Å; E46-Q50 PolarHBondContact O-N 3.04Å; M47-Q50 CarbonylContact O-C 3.59Å; M47-Q50 PolarHBondContact O-N 3.05Å; I48-Q50 PolarHBondContact O-N 3.28Å; Q50-R52 HydrophobicContact CB-CG 4Å; Q50-R52 PolarHBondContact O-N 2.9Å; Q50-M245 PolarHBondContact NE2-O 3.47Å; Q50-Q249 HydrophobicContact CG-CG 4.27Å
51G91.8Very high95.3Very high8 Ų843.5 Ų43.58%0.08224%0.235CC..THydrogen-bonded Turntrans66.424.4-176.700000114.1M47 I48 S151M47-G51 PolarHBondContact O-N 3.16Å; M47-G51 VanDerWaalsContact O-N 3.17Å; I48-G51 PolarHBondContact O-N 3.19Å; G51-S151 PolarHBondContact O-OG 3.02Å
52R92Very high95.2Very high23 Ų2344.9 Ų44.99%0.08724%0.242CC..SBendtrans-95.6-17.8176.5-57.1-46.8-179.399.61.7113.6M47 Q50 D148 N149 E159M47-R52 HydrophobicContact CB-CB 4.19Å; M47-R52 WeakPolarHBondContact O-CA 3.36Å; M47-R52 PolarHBondContact O-N 3.29Å; Q50-R52 HydrophobicContact CB-CG 4Å; Q50-R52 PolarHBondContact O-N 2.9Å; R52-D148 IonicContact CZ-OD1 3.73Å; R52-D148 IonicContact NH1-OD1 2.71Å; R52-D148 PolarHBondContact NH1-OD1 2.99Å; R52-N149 HydrophobicContact CB-CB 4.46Å; R52-N149 PolarHBondContact NH1-O 3.2Å; R52-E159 VanDerWaalsContact NH2-CA 3.32Å; R52-E159 VanDerWaalsContact NH2-CG 3.29Å; R52-E159 IonicContact NH2-OE2 3.9Å
53L94.6Very high95.2Very high2 Ų244.9 Ų44.91%0.0124%0.242CC..  trans-130.4132.7172.4-172.463.9000108Q44 M47 I48 K55 Y57 R66Q44-L53 HydrophobicContact CB-CD2 3.7Å; M47-L53 HydrophobicContact CB-CB 3.84Å; M47-L53 HydrophobicContact CE-CB 4.42Å; M47-L53 PolarHBondContact O-N 3.28Å; I48-L53 WeakPolarHBondContact CA-O 3.46Å; I48-L53 HydrophobicContact CD1-CD2 4.33Å; I48-L53 HydrophobicContact CG1-CB 3.89Å; I48-L53 HydrophobicContact CG1-CD2 4.03Å; I48-L53 HydrophobicContact CG1-CG 4.08Å; L53-K55 WeakPolarHBondContact CD2-O 3.31Å; L53-K55 WeakPolarHBondContact CG-O 3.49Å; L53-Y57 HydrophobicContact CD1-CD1 4.45Å; L53-Y57 HydrophobicContact CD1-CE1 3.72Å; L53-Y57 HydrophobicContact CD1-CE2 4.16Å; L53-Y57 HydrophobicContact CD2-CD2 3.96Å; L53-Y57 HydrophobicContact CD2-CE1 4.48Å; L53-Y57 HydrophobicContact CD2-CE2 3.66Å; L53-Y57 HydrophobicContact CD2-CG 4.49Å; L53-R66 VanDerWaalsContact CD1-NH2 3.3Å
54D92.4Very high95.1Very high85 Ų8547.2 Ų47.246%0.45526%0.256SS..SBendtrans-77.2-39-17959-40.3000112.1R66 A152D54-R66 IonicContact OD1-CZ 3.8Å; D54-R66 IonicContact OD1-NH2 3.88Å; D54-R66 PolarHBondContact OD1-NH2 2.91Å; D54-A152 HydrophobicContact CB-CB 3.98Å
55K94.7Very high95.2Very high122 Ų12250.9 Ų50.953%0.5328%0.276SS..SBendtrans-150.7154.2179.664.5-176.2176.9-179.60111.3L53 R66L53-K55 WeakPolarHBondContact CD2-O 3.31Å; L53-K55 WeakPolarHBondContact CG-O 3.49Å; K55-R66 PolarHBondContact O-NH1 3.06Å; K55-R66 PolarHBondContact O-NH2 3.06Å
56P96.6Very high95.1Very high68 Ų6850.9 Ų50.944%0.44227%0.274SS..  trans-52.8148.5177.5-2433.1000112.6I48 R66I48-P56 HydrophobicContact CD1-CB 4.34Å; I48-P56 HydrophobicContact CD1-CG 3.67Å; P56-R66 PolarHBondContact O-NH1 3.46Å
57Y96.9Very high95.1Very high11 Ų1150.4 Ų50.44%0.04327%0.271CS..  trans-71.7138.5164.9-56.4-64.6000109.9L40 V41 Q44 L53 G59 D62 C63 R66 N149L40-Y57 HydrophobicContact CB-CE2 4.1Å; V41-Y57 HydrophobicContact CG2-CD2 4.3Å; Q44-Y57 HydrophobicContact CB-CD2 3.95Å; Q44-Y57 HydrophobicContact CB-CE2 4.23Å; Q44-Y57 VanDerWaalsContact OE1-CD2 3.26Å; L53-Y57 HydrophobicContact CD1-CD1 4.45Å; L53-Y57 HydrophobicContact CD1-CE1 3.72Å; L53-Y57 HydrophobicContact CD1-CE2 4.16Å; L53-Y57 HydrophobicContact CD2-CD2 3.96Å; L53-Y57 HydrophobicContact CD2-CE1 4.48Å; L53-Y57 HydrophobicContact CD2-CE2 3.66Å; L53-Y57 HydrophobicContact CD2-CG 4.49Å; Y57-G59 VanDerWaalsContact C-N 3.27Å; Y57-D62 VanDerWaalsContact CA-OD2 3.28Å; Y57-D62 WeakPolarHBondContact CA-OD2 3.48Å; Y57-C63 HydrophobicContact CD1-CB 3.71Å; Y57-C63 HydrophobicContact CD2-CB 3.98Å; Y57-C63 HydrophobicContact CE1-CB 4.04Å; Y57-C63 HydrophobicContact CE2-CB 4.3Å; Y57-C63 HydrophobicContact CG-CB 3.67Å; Y57-R66 HydrophobicContact CE1-CB 4.33Å; Y57-N149 PolarHBondContact OH-ND2 2.93Å; Y57-N149 VanDerWaalsContact OH-ND2 3.14Å
58T95.7Very high95.1Very high132 Ų13255.7 Ų55.781%0.8130%0.295SS*.SBendtrans-78.5-15.8174.258.90000112.5D62T58-D62 PolarHBondContact N-OD2 2.73Å; T58-D62 WeakPolarHBondContact OG1-CB 3.41Å
59G93.3Very high95.1Very high27 Ų2763 Ų6328%0.27832%0.319SS..SBendtrans173.3-173.317700000112.8Y57 I61 D62 C63Y57-G59 VanDerWaalsContact C-N 3.27Å; G59-I61 VanDerWaalsContact C-N 3.33Å; G59-I61 PolarHBondContact O-N 3.5Å; G59-D62 PolarHBondContact O-N 2.96Å; G59-C63 WeakPolarHBondContact O-CB 3.48Å; G59-C63 PolarHBondContact O-N 2.68Å
60V94.9Very high95Very high61 Ų6161.1 Ų61.137%0.3731%0.312SS..Hα-helixtrans-61.6-39.7-179.6175.40000111.7V37 T64 A278V37-V60 HydrophobicContact CG1-CB 4.39Å; V37-V60 HydrophobicContact CG1-CG1 3.65Å; V60-T64 WeakPolarHBondContact O-CB 3.22Å; V60-T64 PolarHBondContact O-N 3.08Å; V60-T64 PolarHBondContact O-OG1 2.96Å; V60-A278 HydrophobicContact CG2-CB 4.31Å
61I96.1Very high95.1Very high129 Ų12961 Ų6166%0.66231%0.312SS*.Hα-helixtrans-67.4-48.4179.4-61.3175.4000110.6G59 C63 T64 L65G59-I61 VanDerWaalsContact C-N 3.33Å; G59-I61 PolarHBondContact O-N 3.5Å; I61-C63 VanDerWaalsContact C-N 3.35Å; I61-C63 PolarHBondContact O-N 3.5Å; I61-T64 WeakPolarHBondContact O-CB 3.18Å; I61-T64 PolarHBondContact O-N 3.31Å; I61-T64 VanDerWaalsContact O-N 3.13Å; I61-L65 HydrophobicContact CG2-CD1 3.9Å; I61-L65 HydrophobicContact CG2-CG 4.27Å; I61-L65 WeakPolarHBondContact O-CG 3.41Å; I61-L65 PolarHBondContact O-N 3.14Å
62D97.3Very high95.2Very high39 Ų3961.9 Ų61.921%0.20932%0.321CS..Hα-helixtrans-58.5-45.8176177.858.3000111.8Y57 T58 G59 T64 L65 R66Y57-D62 VanDerWaalsContact CA-OD2 3.28Å; Y57-D62 WeakPolarHBondContact CA-OD2 3.48Å; T58-D62 PolarHBondContact N-OD2 2.73Å; T58-D62 WeakPolarHBondContact OG1-CB 3.41Å; G59-D62 PolarHBondContact O-N 2.96Å; D62-T64 VanDerWaalsContact C-N 3.29Å; D62-T64 PolarHBondContact O-N 2.89Å; D62-L65 PolarHBondContact O-N 3.16Å; D62-R66 VanDerWaalsContact CG-CD 3.45Å; D62-R66 WeakPolarHBondContact O-CB 3.4Å; D62-R66 WeakPolarHBondContact O-CG 3.35Å; D62-R66 PolarHBondContact O-N 3.43Å; D62-R66 WeakPolarHBondContact OD1-CD 3.49Å; D62-R66 VanDerWaalsContact OD2-CD 3.27Å; D62-R66 WeakPolarHBondContact OD2-CD 3.34Å; D62-R66 IonicContact OD2-CZ 2.84Å; D62-R66 IonicContact OD2-NH1 2.73Å; D62-R66 PolarHBondContact OD2-NH1 2.78Å
63C97.1Very high95.4Very high0 Ų065.8 Ų65.80%034%0.343CS..Hα-helixtrans-56.1-44.8174.5-178.80000112.1V37 L40 V41 Y57 G59 I61 T67V37-C63 HydrophobicContact CG1-CB 4.2Å; L40-C63 VanDerWaalsContact CB-SG 3.53Å; V41-C63 HydrophobicContact CG2-CB 3.62Å; Y57-C63 HydrophobicContact CD1-CB 3.71Å; Y57-C63 HydrophobicContact CD2-CB 3.98Å; Y57-C63 HydrophobicContact CE1-CB 4.04Å; Y57-C63 HydrophobicContact CE2-CB 4.3Å; Y57-C63 HydrophobicContact CG-CB 3.67Å; G59-C63 WeakPolarHBondContact O-CB 3.48Å; G59-C63 PolarHBondContact O-N 2.68Å; I61-C63 VanDerWaalsContact C-N 3.35Å; I61-C63 PolarHBondContact O-N 3.5Å; C63-T67 VanDerWaalsContact O-CB 3.23Å; C63-T67 WeakPolarHBondContact O-CB 3.26Å; C63-T67 PolarHBondContact O-N 3.3Å; C63-T67 PolarHBondContact O-OG1 3.47Å
64T97.2Very high95.5Very high49 Ų4972.9 Ų72.930%0.30138%0.38SS..Hα-helixtrans-65-50.5-179.9-56.80000110.9V60 I61 D62 R66 T67 F68 F76V60-T64 WeakPolarHBondContact O-CB 3.22Å; V60-T64 PolarHBondContact O-N 3.08Å; V60-T64 PolarHBondContact O-OG1 2.96Å; I61-T64 WeakPolarHBondContact O-CB 3.18Å; I61-T64 PolarHBondContact O-N 3.31Å; I61-T64 VanDerWaalsContact O-N 3.13Å; D62-T64 VanDerWaalsContact C-N 3.29Å; D62-T64 PolarHBondContact O-N 2.89Å; T64-R66 PolarHBondContact O-N 3.16Å; T64-T67 PolarHBondContact O-N 3.47Å; T64-F68 WeakPolarHBondContact O-CB 3.41Å; T64-F68 PolarHBondContact O-N 3.43Å; T64-F76 HydrophobicContact CG2-CE1 4.02Å; T64-F76 HydrophobicContact CG2-CZ 3.85Å; T64-F76 WeakPolarHBondContact O-CZ 3.19Å
65L97.7Very high95.7Very high84 Ų8469.8 Ų69.844%0.4437%0.365SS..Hα-helixtrans-64.2-43-178.5-67.6176.8000112.2I61 D62 F68 R69I61-L65 HydrophobicContact CG2-CD1 3.9Å; I61-L65 HydrophobicContact CG2-CG 4.27Å; I61-L65 WeakPolarHBondContact O-CG 3.41Å; I61-L65 PolarHBondContact O-N 3.14Å; D62-L65 PolarHBondContact O-N 3.16Å; L65-F68 PolarHBondContact O-N 2.86Å; L65-R69 WeakPolarHBondContact O-CB 3.3Å; L65-R69 VanDerWaalsContact O-CG 3.26Å; L65-R69 WeakPolarHBondContact O-CG 3.39Å; L65-R69 PolarHBondContact O-N 2.93Å
66R95.8Very high95.8Very high23 Ų2364.6 Ų64.69%0.08734%0.342CS..Hα-helixtrans-65.7-43177-74.3168.565.2-172.70.5111.6L53 D54 K55 P56 Y57 D62 T64 F68 R69 Q70L53-R66 VanDerWaalsContact CD1-NH2 3.3Å; D54-R66 IonicContact OD1-CZ 3.8Å; D54-R66 IonicContact OD1-NH2 3.88Å; D54-R66 PolarHBondContact OD1-NH2 2.91Å; K55-R66 PolarHBondContact O-NH1 3.06Å; K55-R66 PolarHBondContact O-NH2 3.06Å; P56-R66 PolarHBondContact O-NH1 3.46Å; Y57-R66 HydrophobicContact CE1-CB 4.33Å; D62-R66 VanDerWaalsContact CG-CD 3.45Å; D62-R66 WeakPolarHBondContact O-CB 3.4Å; D62-R66 WeakPolarHBondContact O-CG 3.35Å; D62-R66 PolarHBondContact O-N 3.43Å; D62-R66 WeakPolarHBondContact OD1-CD 3.49Å; D62-R66 VanDerWaalsContact OD2-CD 3.27Å; D62-R66 WeakPolarHBondContact OD2-CD 3.34Å; D62-R66 IonicContact OD2-CZ 2.84Å; D62-R66 IonicContact OD2-NH1 2.73Å; D62-R66 PolarHBondContact OD2-NH1 2.78Å; T64-R66 PolarHBondContact O-N 3.16Å; R66-F68 PolarHBondContact O-N 2.91Å; R66-R69 PolarHBondContact O-N 3.48Å; R66-Q70 VanDerWaalsContact O-CB 3.28Å; R66-Q70 WeakPolarHBondContact O-CB 3.49Å; R66-Q70 VanDerWaalsContact O-CG 3.23Å; R66-Q70 WeakPolarHBondContact O-CG 3.46Å; R66-Q70 PolarHBondContact O-N 3.45Å
67T95.6Very high95.9Very high0 Ų065.9 Ų65.90%034%0.338CS..Hα-helixtrans-60.6-46176.2-59.20000111.1R36 L40 C63 T64 Q70 E71 F76R36-T67 VanDerWaalsContact NH1-CG2 3.32Å; L40-T67 HydrophobicContact CD1-CG2 4.36Å; C63-T67 VanDerWaalsContact O-CB 3.23Å; C63-T67 WeakPolarHBondContact O-CB 3.26Å; C63-T67 PolarHBondContact O-N 3.3Å; C63-T67 PolarHBondContact O-OG1 3.47Å; T64-T67 PolarHBondContact O-N 3.47Å; T67-Q70 PolarHBondContact O-N 2.92Å; T67-E71 PolarHBondContact O-N 3.04Å; T67-F76 HydrophobicContact CG2-CE1 4.13Å; T67-F76 HydrophobicContact CG2-CE2 4.27Å; T67-F76 HydrophobicContact CG2-CZ 3.95Å
68F96.7Very high95.9Very high111 Ų11167.7 Ų67.749%0.48735%0.345SS..Hα-helixtrans-63.2-45.5178-176.5-101.8000112.1T64 L65 R66 Q70 G72 L73 F76T64-F68 WeakPolarHBondContact O-CB 3.41Å; T64-F68 PolarHBondContact O-N 3.43Å; L65-F68 PolarHBondContact O-N 2.86Å; R66-F68 PolarHBondContact O-N 2.91Å; F68-Q70 PolarHBondContact O-N 3.19Å; F68-G72 WeakPolarHBondContact O-CA 3.45Å; F68-G72 PolarHBondContact O-N 2.97Å; F68-L73 HydrophobicContact CE2-CB 4.08Å; F68-L73 HydrophobicContact CE2-CD1 4.38Å; F68-F76 HydrophobicContact CB-CE2 4Å; F68-F76 HydrophobicContact CB-CZ 4.26Å; F68-F76 HydrophobicContact CD2-CE2 4.2Å
69R94.5Very high96Very high205 Ų20561.9 Ų61.977%0.77431%0.311SS*.Hα-helixtrans-64.6-37.7178.2-73.9175.6179.3177.20.3113L65 R66L65-R69 WeakPolarHBondContact O-CB 3.3Å; L65-R69 VanDerWaalsContact O-CG 3.26Å; L65-R69 WeakPolarHBondContact O-CG 3.39Å; L65-R69 PolarHBondContact O-N 2.93Å; R66-R69 PolarHBondContact O-N 3.48Å
70Q92.3Very high96.2Very high82 Ų8261.4 Ų61.438%0.38330%0.302SS..Hα-helixtrans-84.3-33.7-175.2-71.4175.9-17.800113.4R66 T67 F68R66-Q70 VanDerWaalsContact O-CB 3.28Å; R66-Q70 WeakPolarHBondContact O-CB 3.49Å; R66-Q70 VanDerWaalsContact O-CG 3.23Å; R66-Q70 WeakPolarHBondContact O-CG 3.46Å; R66-Q70 PolarHBondContact O-N 3.45Å; T67-Q70 PolarHBondContact O-N 2.92Å; F68-Q70 PolarHBondContact O-N 3.19Å
71E93.1Very high96.3Very high20 Ų2063.6 Ų63.69%0.09331%0.311CS..Hα-helixtrans-127.6-10.2-170.2-37-169.1144.500114.7R36 T67 P75 N149 K150 R158R36-E71 IonicContact CZ-OE2 3.29Å; R36-E71 IonicContact NH1-OE2 3.66Å; R36-E71 PolarHBondContact NH1-OE2 2.74Å; R36-E71 IonicContact NH2-OE1 3.93Å; R36-E71 IonicContact NH2-OE2 3.31Å; R36-E71 PolarHBondContact NH2-OE2 3.16Å; T67-E71 PolarHBondContact O-N 3.04Å; E71-P75 HydrophobicContact CB-CB 3.92Å; E71-P75 HydrophobicContact CB-CG 3.6Å; E71-P75 WeakPolarHBondContact O-CD 3.43Å; E71-P75 VanDerWaalsContact O-CG 3.27Å; E71-P75 WeakPolarHBondContact O-CG 3.49Å; E71-P75 WeakPolarHBondContact OE2-CB 3.16Å; E71-N149 VanDerWaalsContact OE1-CA 3.25Å; E71-N149 WeakPolarHBondContact OE1-CA 3.45Å; E71-K150 HydrophobicContact CG-CD 4.46Å; E71-K150 HydrophobicContact CG-CG 4.43Å; E71-K150 PolarHBondContact OE1-N 3.33Å; E71-R158 VanDerWaalsContact CD-NH1 3.34Å; E71-R158 IonicContact OE1-CZ 2.9Å; E71-R158 IonicContact OE1-NH1 3.73Å; E71-R158 PolarHBondContact OE1-NH1 3.41Å; E71-R158 IonicContact OE1-NH2 3.59Å; E71-R158 PolarHBondContact OE1-NH2 3.49Å; E71-R158 IonicContact OE2-CZ 3.82Å; E71-R158 IonicContact OE2-NH1 2.69Å; E71-R158 PolarHBondContact OE2-NH1 3.08Å; E71-R158 VanDerWaalsContact OE2-NH1 3.15Å; E71-R158 IonicContact OE2-NH2 3.69Å; E71-R158 PolarHBondContact OE2-NH2 2.94Å
72G94.7Very high96.4Very high27 Ų2757.4 Ų57.428%0.27828%0.279SS..  trans81.7-162.7-175.300000113.6F68F68-G72 WeakPolarHBondContact O-CA 3.45Å; F68-G72 PolarHBondContact O-N 2.97Å
73L96.6Very high96.3Very high105 Ų10555.9 Ų55.955%0.5527%0.271SS..SBendtrans-80.9-47.1-173-174.860.5000113.9F68 P75 F76 W77F68-L73 HydrophobicContact CE2-CB 4.08Å; F68-L73 HydrophobicContact CE2-CD1 4.38Å; L73-P75 VanDerWaalsContact C-N 3.31Å; L73-F76 HydrophobicContact CD1-CD2 4.34Å; L73-F76 VanDerWaalsContact O-CD2 3.29Å; L73-F76 WeakPolarHBondContact O-CD2 3.35Å; L73-F76 PolarHBondContact O-N 2.81Å; L73-W77 HydrophobicContact CD1-CZ3 4.39Å; L73-W77 HydrophobicContact CG-CZ3 4.37Å
74L96.3Very high96.2Very high151 Ų15156.5 Ų56.579%0.79128%0.275SS*.G310 helixtrans-56-36.5-173.6-65.8177.6000114.6F76 W77L74-F76 PolarHBondContact O-N 3.29Å; L74-W77 PolarHBondContact O-N 2.78Å
75P95.7Very high96.2Very high20 Ų2057.6 Ų57.613%0.1328%0.279CS..G310 helixtrans-59.9-20.5-178.7-31.542.8000114.5R36 E71 L73 W77 R78R36-P75 WeakPolarHBondContact CD-O 3.29Å; R36-P75 PolarHBondContact NE-O 3.47Å; R36-P75 VanDerWaalsContact NE-O 3.16Å; R36-P75 PolarHBondContact NH1-O 3.11Å; E71-P75 HydrophobicContact CB-CB 3.92Å; E71-P75 HydrophobicContact CB-CG 3.6Å; E71-P75 WeakPolarHBondContact O-CD 3.43Å; E71-P75 VanDerWaalsContact O-CG 3.27Å; E71-P75 WeakPolarHBondContact O-CG 3.49Å; E71-P75 WeakPolarHBondContact OE2-CB 3.16Å; L73-P75 VanDerWaalsContact C-N 3.31Å; P75-W77 PolarHBondContact O-N 3.32Å; P75-R78 WeakPolarHBondContact O-CB 3.3Å; P75-R78 PolarHBondContact O-N 2.9Å
76F97.8Very high96.1Very high13 Ų1355.4 Ų55.46%0.05727%0.265CS..G310 helixtrans-54.7-19.9175.3-79-79.1000114.4P33 R36 V37 T64 T67 F68 L73 L74P33-F76 HydrophobicContact CB-CB 3.96Å; P33-F76 HydrophobicContact CB-CD1 4.22Å; P33-F76 HydrophobicContact CB-CG 4.39Å; P33-F76 HydrophobicContact CG-CB 4.2Å; R36-F76 WeakPolarHBondContact CB-O 3.42Å; V37-F76 HydrophobicContact CG2-CD1 4.14Å; V37-F76 HydrophobicContact CG2-CE1 3.74Å; T64-F76 HydrophobicContact CG2-CE1 4.02Å; T64-F76 HydrophobicContact CG2-CZ 3.85Å; T64-F76 WeakPolarHBondContact O-CZ 3.19Å; T67-F76 HydrophobicContact CG2-CE1 4.13Å; T67-F76 HydrophobicContact CG2-CE2 4.27Å; T67-F76 HydrophobicContact CG2-CZ 3.95Å; F68-F76 HydrophobicContact CB-CE2 4Å; F68-F76 HydrophobicContact CB-CZ 4.26Å; F68-F76 HydrophobicContact CD2-CE2 4.2Å; L73-F76 HydrophobicContact CD1-CD2 4.34Å; L73-F76 VanDerWaalsContact O-CD2 3.29Å; L73-F76 WeakPolarHBondContact O-CD2 3.35Å; L73-F76 PolarHBondContact O-N 2.81Å; L74-F76 PolarHBondContact O-N 3.29Å
77W98Very high95.9Very high94 Ų9454.6 Ų54.636%0.35626%0.262SS..G310 helixtrans-96.74.1174-73.4-95000114.6T29 A32 P33 L73 L74 P75 G79 N80T29-W77 PolarHBondContact O-NE1 2.89Å; A32-W77 HydrophobicContact CB-CG 4.26Å; P33-W77 HydrophobicContact CG-CD2 4.23Å; P33-W77 HydrophobicContact CG-CE3 4.45Å; P33-W77 HydrophobicContact CG-CH2 3.75Å; P33-W77 HydrophobicContact CG-CZ2 3.46Å; P33-W77 VanDerWaalsContact CG-CZ2 3.46Å; P33-W77 HydrophobicContact CG-CZ3 4.24Å; L73-W77 HydrophobicContact CD1-CZ3 4.39Å; L73-W77 HydrophobicContact CG-CZ3 4.37Å; L74-W77 PolarHBondContact O-N 2.78Å; P75-W77 PolarHBondContact O-N 3.32Å; W77-G79 PolarHBondContact O-N 3.26Å; W77-N80 HydrophobicContact CB-CB 4.42Å; W77-N80 WeakPolarHBondContact O-CB 3.27Å; W77-N80 PolarHBondContact O-N 3.2Å
78R97.9Very high95.6Very high50 Ų5058.2 Ų58.219%0.18928%0.278CS..THydrogen-bonded Turntrans-63.3125-179.7-167.3178.7177.4742.5110.3P75 L145 A146 D148 F160P75-R78 WeakPolarHBondContact O-CB 3.3Å; P75-R78 PolarHBondContact O-N 2.9Å; R78-L145 VanDerWaalsContact CD-O 3.26Å; R78-L145 WeakPolarHBondContact CD-O 3.32Å; R78-L145 HydrophobicContact CG-CB 4.46Å; R78-L145 VanDerWaalsContact CG-O 3.32Å; R78-L145 WeakPolarHBondContact CG-O 3.28Å; R78-L145 PolarHBondContact NE-O 3.18Å; R78-A146 WeakPolarHBondContact O-CA 3.38Å; R78-D148 IonicContact CZ-OD2 3.02Å; R78-D148 IonicContact NE-OD2 2.82Å; R78-D148 IonicContact NH2-OD2 3.97Å; R78-D148 PolarHBondContact NH2-OD2 2.88Å; R78-F160 PolarHBondContact NH2-O 3.27Å
79G97.1Very high95.4Very high9 Ų955.4 Ų55.49%0.09327%0.27CS..THydrogen-bonded Turntrans88.8-1.6-17200000114.5W77 P82 R142W77-G79 PolarHBondContact O-N 3.26Å; G79-P82 WeakPolarHBondContact O-CD 3.28Å; G79-P82 VanDerWaalsContact O-CG 3.29Å; G79-P82 WeakPolarHBondContact O-CG 3.23Å; G79-R142 WeakPolarHBondContact O-CG 3.05Å
80N97.4Very high95.3Very high18 Ų1847.1 Ų47.110%0.09624%0.243CC..Hα-helixtrans-71.7-30.6177.1-170.647.4000113.3K28 T29 A32 W77 N83 C84K28-N80 PolarHBondContact O-OD1 3.39Å; T29-N80 PolarHBondContact OG1-ND2 2.75Å; A32-N80 HydrophobicContact CB-CB 3.95Å; W77-N80 HydrophobicContact CB-CB 4.42Å; W77-N80 WeakPolarHBondContact O-CB 3.27Å; W77-N80 PolarHBondContact O-N 3.2Å; N80-N83 WeakPolarHBondContact O-CA 3.13Å; N80-N83 VanDerWaalsContact O-CB 3.28Å; N80-N83 WeakPolarHBondContact O-CB 3.15Å; N80-N83 PolarHBondContact O-N 3.24Å; N80-N83 VanDerWaalsContact O-N 3.11Å; N80-C84 PolarHBondContact ND2-SG 3.23Å; N80-C84 PolarHBondContact O-N 3.14Å; N80-C84 PolarHBondContact O-SG 2.84Å; N80-C84 VanDerWaalsContact O-SG 3.32Å
81L97.4Very high95.2Very high106 Ų10644.9 Ų44.956%0.55523%0.232SC*.Hα-helixtrans-55.5-56.5177.8176.862.5000112.9N83 C84 L85L81-N83 PolarHBondContact O-N 3Å; L81-C84 PolarHBondContact O-N 3.24Å; L81-C84 VanDerWaalsContact O-N 3.09Å; L81-L85 HydrophobicContact CD1-CD1 4.04Å; L81-L85 HydrophobicContact CD1-CG 4.02Å; L81-L85 HydrophobicContact CG-CD1 3.99Å; L81-L85 HydrophobicContact CG-CG 4.4Å; L81-L85 WeakPolarHBondContact O-CG 3.11Å; L81-L85 PolarHBondContact O-N 2.89Å
82P97.8Very high95Very high0 Ų046.6 Ų46.60%025%0.25CS..Hα-helixtrans-61.6-29.1176.622.9-33.5000112.7G79 R86 L138 A141 R142 L145 L163G79-P82 WeakPolarHBondContact O-CD 3.28Å; G79-P82 VanDerWaalsContact O-CG 3.29Å; G79-P82 WeakPolarHBondContact O-CG 3.23Å; P82-R86 VanDerWaalsContact O-CB 3.28Å; P82-R86 WeakPolarHBondContact O-CB 3.28Å; P82-R86 PolarHBondContact O-N 3.38Å; P82-L138 HydrophobicContact CB-CB 4.47Å; P82-L138 HydrophobicContact CB-CD2 4.09Å; P82-A141 HydrophobicContact CB-CB 4.39Å; P82-R142 HydrophobicContact CB-CB 4.37Å; P82-R142 HydrophobicContact CG-CB 3.92Å; P82-L145 HydrophobicContact CG-CD1 4.2Å; P82-L163 HydrophobicContact CB-CD1 4Å; P82-L163 HydrophobicContact CG-CD1 4.35Å
83N95.2Very high94.9Very high6 Ų646.3 Ų46.33%0.03224%0.242CC..Hα-helixtrans-65.1-40.8173.9-174.640.8000112.7K28 N80 L81 R142K28-N83 WeakPolarHBondContact CD-O 3.48Å; N80-N83 WeakPolarHBondContact O-CA 3.13Å; N80-N83 VanDerWaalsContact O-CB 3.28Å; N80-N83 WeakPolarHBondContact O-CB 3.15Å; N80-N83 PolarHBondContact O-N 3.24Å; N80-N83 VanDerWaalsContact O-N 3.11Å; L81-N83 PolarHBondContact O-N 3Å; N83-R142 HydrophobicContact CB-CG 4.43Å; N83-R142 VanDerWaalsContact CG-NH2 3.25Å; N83-R142 PolarHBondContact ND2-NH2 3.09Å; N83-R142 VanDerWaalsContact ND2-NH2 3.13Å; N83-R142 PolarHBondContact OD1-NH1 3.34Å; N83-R142 PolarHBondContact OD1-NH2 2.9Å
84C96.3Very high94.5Very high13 Ų1344.6 Ų44.69%0.08823%0.234CC..Hα-helixtrans-70.3-48.3176.3-66.50000111V25 N80 L81 R86 Y87V25-C84 HydrophobicContact CG1-CB 4.37Å; V25-C84 HydrophobicContact CG2-CB 4.2Å; N80-C84 PolarHBondContact ND2-SG 3.23Å; N80-C84 PolarHBondContact O-N 3.14Å; N80-C84 PolarHBondContact O-SG 2.84Å; N80-C84 VanDerWaalsContact O-SG 3.32Å; L81-C84 PolarHBondContact O-N 3.24Å; L81-C84 VanDerWaalsContact O-N 3.09Å; C84-R86 PolarHBondContact O-N 2.87Å; C84-Y87 WeakPolarHBondContact O-CB 3.41Å; C84-Y87 PolarHBondContact O-N 3.09Å; C84-Y87 VanDerWaalsContact O-N 3.1Å
85L95.9Very high94Very high72 Ų7245.3 Ų45.338%0.37723%0.231SC..Hα-helixtrans-56.3-38.9177.8-72.3174.8000112L81 Y87 F88 P89 L163L81-L85 HydrophobicContact CD1-CD1 4.04Å; L81-L85 HydrophobicContact CD1-CG 4.02Å; L81-L85 HydrophobicContact CG-CD1 3.99Å; L81-L85 HydrophobicContact CG-CG 4.4Å; L81-L85 WeakPolarHBondContact O-CG 3.11Å; L81-L85 PolarHBondContact O-N 2.89Å; L85-Y87 PolarHBondContact O-N 3.35Å; L85-Y87 VanDerWaalsContact O-N 3.09Å; L85-F88 PolarHBondContact O-N 2.91Å; L85-P89 WeakPolarHBondContact O-CD 3.42Å; L85-L163 HydrophobicContact CD1-CD2 3.69Å
86R95Very high93.7Very high39 Ų3946.9 Ų46.915%0.14725%0.245CC..THydrogen-bonded Turntrans-57.5-25.9-179.8-171.3177.361.773.43.5113.6P82 C84 T90 V135 L138 D139P82-R86 VanDerWaalsContact O-CB 3.28Å; P82-R86 WeakPolarHBondContact O-CB 3.28Å; P82-R86 PolarHBondContact O-N 3.38Å; C84-R86 PolarHBondContact O-N 2.87Å; R86-T90 VanDerWaalsContact O-CB 3.32Å; R86-T90 WeakPolarHBondContact O-CB 3.28Å; R86-T90 PolarHBondContact O-N 2.79Å; R86-T90 PolarHBondContact O-OG1 3.26Å; R86-V135 HydrophobicContact CG-CB 4.08Å; R86-V135 HydrophobicContact CG-CG2 4.25Å; R86-L138 HydrophobicContact CB-CB 4.19Å; R86-L138 HydrophobicContact CB-CD1 3.94Å; R86-L138 HydrophobicContact CG-CB 4.39Å; R86-L138 HydrophobicContact CG-CD1 4.35Å; R86-D139 VanDerWaalsContact CD-OD1 3.24Å; R86-D139 WeakPolarHBondContact CD-OD1 3.27Å; R86-D139 IonicContact CZ-OD1 3.9Å; R86-D139 IonicContact NE-OD1 2.9Å; R86-D139 PolarHBondContact NE-OD1 2.9Å; R86-D139 VanDerWaalsContact NE-OD1 3.11Å
87Y91.7Very high93.3Very high6 Ų649.2 Ų49.22%0.02426%0.255CS..Hα-helixtrans-58.2-51.3-179.8-177.9-99.7000111.8E3 A24 C84 L85 T90 Q91E3-Y87 HydrophobicContact CB-CE2 3.97Å; E3-Y87 PolarHBondContact O-OH 3.06Å; A24-Y87 HydrophobicContact CB-CD1 4.03Å; A24-Y87 HydrophobicContact CB-CD2 3.46Å; A24-Y87 VanDerWaalsContact CB-CD2 3.46Å; A24-Y87 HydrophobicContact CB-CE1 3.93Å; A24-Y87 HydrophobicContact CB-CE2 3.32Å; A24-Y87 HydrophobicContact CB-CG 3.81Å; C84-Y87 WeakPolarHBondContact O-CB 3.41Å; C84-Y87 PolarHBondContact O-N 3.09Å; C84-Y87 VanDerWaalsContact O-N 3.1Å; L85-Y87 PolarHBondContact O-N 3.35Å; L85-Y87 VanDerWaalsContact O-N 3.09Å; Y87-T90 WeakPolarHBondContact O-CB 3.26Å; Y87-T90 PolarHBondContact O-N 3.34Å; Y87-Q91 HydrophobicContact CD1-CG 4.08Å; Y87-Q91 HydrophobicContact CD2-CG 4.44Å; Y87-Q91 HydrophobicContact CE1-CG 3.66Å; Y87-Q91 HydrophobicContact CE2-CG 4.08Å; Y87-Q91 HydrophobicContact CG-CG 4.46Å; Y87-Q91 VanDerWaalsContact CZ-NE2 3.3Å; Y87-Q91 WeakPolarHBondContact O-CG 3.17Å; Y87-Q91 PolarHBondContact O-N 3.48Å; Y87-Q91 PolarHBondContact OH-NE2 3.28Å
88F90.5Very high92.7Very high76 Ų7650.6 Ų50.633%0.33326%0.264SS..Hα-helixtrans-65.1-48.8-172.2-55.3-87.5000113.5F17 V25 L85 T90 Q91 A92F17-F88 AromaticContact CE1-CD1 4Å; F17-F88 HydrophobicContact CE1-CD1 4Å; F17-F88 HydrophobicContact CE1-CE1 4.38Å; F17-F88 AromaticContact CZ-CD1 3.86Å; F17-F88 HydrophobicContact CZ-CD1 3.86Å; V25-F88 HydrophobicContact CG2-CE2 4.23Å; V25-F88 HydrophobicContact CG2-CZ 4.29Å; L85-F88 PolarHBondContact O-N 2.91Å; F88-T90 VanDerWaalsContact C-N 3.27Å; F88-T90 PolarHBondContact O-N 3.11Å; F88-Q91 PolarHBondContact O-N 3.44Å; F88-A92 PolarHBondContact O-N 3.11Å
89P92.3Very high92.1Very high51 Ų5153.7 Ų53.733%0.33128%0.284SS..Hα-helixtrans-61.8-36.4173.5-23.935.9000112.2L85 Q91 A92 L93 V135L85-P89 WeakPolarHBondContact O-CD 3.42Å; P89-Q91 VanDerWaalsContact C-N 3.31Å; P89-Q91 PolarHBondContact O-N 3.47Å; P89-A92 PolarHBondContact O-N 3.05Å; P89-L93 WeakPolarHBondContact O-CB 3.28Å; P89-L93 WeakPolarHBondContact O-CD1 3.29Å; P89-L93 WeakPolarHBondContact O-CG 3.33Å; P89-L93 PolarHBondContact O-N 3.41Å; P89-V135 HydrophobicContact CB-CG1 3.83Å
90T92.1Very high91.8Very high32 Ų3260.1 Ų60.120%0.19631%0.31CS..Hα-helixtrans-61.9-41.7176.3-56.40000111.1R86 Y87 F88 N94R86-T90 VanDerWaalsContact O-CB 3.32Å; R86-T90 WeakPolarHBondContact O-CB 3.28Å; R86-T90 PolarHBondContact O-N 2.79Å; R86-T90 PolarHBondContact O-OG1 3.26Å; Y87-T90 WeakPolarHBondContact O-CB 3.26Å; Y87-T90 PolarHBondContact O-N 3.34Å; F88-T90 VanDerWaalsContact C-N 3.27Å; F88-T90 PolarHBondContact O-N 3.11Å; T90-N94 WeakPolarHBondContact O-CB 3.36Å; T90-N94 PolarHBondContact O-N 3.4Å
91Q89.4Confident91.4Very high34 Ų3460.1 Ų60.116%0.15931%0.31CS..Hα-helixtrans-67.8-42.5175.8-65.8-59.2-11.400112.2E3 F17 Y87 F88 P89 L93 N94 F95E3-Q91 PolarHBondContact O-NE2 3.49Å; F17-Q91 HydrophobicContact CE2-CB 4.28Å; Y87-Q91 HydrophobicContact CD1-CG 4.08Å; Y87-Q91 HydrophobicContact CD2-CG 4.44Å; Y87-Q91 HydrophobicContact CE1-CG 3.66Å; Y87-Q91 HydrophobicContact CE2-CG 4.08Å; Y87-Q91 HydrophobicContact CG-CG 4.46Å; Y87-Q91 VanDerWaalsContact CZ-NE2 3.3Å; Y87-Q91 WeakPolarHBondContact O-CG 3.17Å; Y87-Q91 PolarHBondContact O-N 3.48Å; Y87-Q91 PolarHBondContact OH-NE2 3.28Å; F88-Q91 PolarHBondContact O-N 3.44Å; P89-Q91 VanDerWaalsContact C-N 3.31Å; P89-Q91 PolarHBondContact O-N 3.47Å; Q91-L93 VanDerWaalsContact C-N 3.33Å; Q91-L93 PolarHBondContact O-N 3.05Å; Q91-N94 WeakPolarHBondContact O-CB 3.45Å; Q91-N94 PolarHBondContact O-N 2.76Å; Q91-F95 PolarHBondContact O-N 3.17Å
92A89.7Confident90.8Very high57 Ų5761.7 Ų61.747%0.47131%0.312SS..Hα-helixtrans-60.3-42.1176.200000112F88 P89 F95 A96F88-A92 PolarHBondContact O-N 3.11Å; P89-A92 PolarHBondContact O-N 3.05Å; A92-F95 PolarHBondContact O-N 3.38Å; A92-A96 VanDerWaalsContact O-CB 3.29Å; A92-A96 WeakPolarHBondContact O-CB 2.9Å; A92-A96 PolarHBondContact O-N 2.89Å
93L92Very high90.3Very high20 Ų2064.7 Ų64.711%0.10533%0.333CS..Hα-helixtrans-68.2-38.2176.8-66.7164.7000111.9P89 Q91 A96 F97 F134 V135P89-L93 WeakPolarHBondContact O-CB 3.28Å; P89-L93 WeakPolarHBondContact O-CD1 3.29Å; P89-L93 WeakPolarHBondContact O-CG 3.33Å; P89-L93 PolarHBondContact O-N 3.41Å; Q91-L93 VanDerWaalsContact C-N 3.33Å; Q91-L93 PolarHBondContact O-N 3.05Å; L93-A96 PolarHBondContact O-N 2.7Å; L93-F97 HydrophobicContact CB-CD2 4.3Å; L93-F97 HydrophobicContact CD2-CD2 3.88Å; L93-F97 HydrophobicContact CD2-CE2 3.52Å; L93-F97 WeakPolarHBondContact O-CB 3.48Å; L93-F97 WeakPolarHBondContact O-CD2 3.3Å; L93-F97 PolarHBondContact O-N 3.14Å; L93-F134 HydrophobicContact CD1-CB 3.7Å; L93-F134 HydrophobicContact CD1-CD2 4.07Å; L93-F134 HydrophobicContact CD1-CG 4.17Å; L93-F134 HydrophobicContact CD2-CB 4.29Å; L93-F134 HydrophobicContact CD2-CD2 3.48Å; L93-F134 VanDerWaalsContact CD2-CD2 3.48Å; L93-F134 HydrophobicContact CD2-CE2 3.91Å; L93-F134 HydrophobicContact CD2-CG 3.87Å; L93-F134 HydrophobicContact CG-CD2 4.44Å; L93-V135 HydrophobicContact CD1-CG1 3.54Å
94N88.3Confident90.1Very high70 Ų7067.9 Ų67.937%0.37436%0.361SS..Hα-helixtrans-58.8-51172.8-167.3-55.6000110T90 Q91 A96 F97 K98T90-N94 WeakPolarHBondContact O-CB 3.36Å; T90-N94 PolarHBondContact O-N 3.4Å; Q91-N94 WeakPolarHBondContact O-CB 3.45Å; Q91-N94 PolarHBondContact O-N 2.76Å; N94-A96 PolarHBondContact O-N 2.73Å; N94-F97 PolarHBondContact O-N 2.82Å; N94-K98 WeakPolarHBondContact O-CA 3.44Å; N94-K98 WeakPolarHBondContact O-CB 3.49Å; N94-K98 PolarHBondContact O-N 3.32Å; N94-K98 WeakPolarHBondContact OD1-CD 3.43Å
95F86.1Confident89.7Confident166 Ų16670.4 Ų70.473%0.72837%0.37SS*.Hα-helixtrans-59.3-44.1176.9-176.5-99.9000112.6Q91 A92Q91-F95 PolarHBondContact O-N 3.17Å; A92-F95 PolarHBondContact O-N 3.38Å
96A89.4Confident89.2Confident52 Ų5273 Ų7343%0.4338%0.38SS..Hα-helixtrans-72.2-32.6-176.200000114.3A92 L93 N94A92-A96 VanDerWaalsContact O-CB 3.29Å; A92-A96 WeakPolarHBondContact O-CB 2.9Å; A92-A96 PolarHBondContact O-N 2.89Å; L93-A96 PolarHBondContact O-N 2.7Å; N94-A96 PolarHBondContact O-N 2.73Å
97F89Confident88.8Confident62 Ų6275.1 Ų75.127%0.27239%0.392SS..Hα-helixtrans-121.5-13.4-167.2-62.2-68.3000115.4L93 N94 D99 K100 V101 L130 F134L93-F97 HydrophobicContact CB-CD2 4.3Å; L93-F97 HydrophobicContact CD2-CD2 3.88Å; L93-F97 HydrophobicContact CD2-CE2 3.52Å; L93-F97 WeakPolarHBondContact O-CB 3.48Å; L93-F97 WeakPolarHBondContact O-CD2 3.3Å; L93-F97 PolarHBondContact O-N 3.14Å; N94-F97 PolarHBondContact O-N 2.82Å; F97-D99 PolarHBondContact O-N 3.02Å; F97-K100 PolarHBondContact O-N 3.38Å; F97-V101 HydrophobicContact CB-CG2 4.48Å; F97-V101 WeakPolarHBondContact O-CG2 3.21Å; F97-V101 PolarHBondContact O-N 2.92Å; F97-L130 HydrophobicContact CB-CD2 3.86Å; F97-L130 HydrophobicContact CD1-CD2 3.81Å; F97-L130 HydrophobicContact CD2-CD2 4.03Å; F97-L130 HydrophobicContact CE1-CD2 4.35Å; F97-L130 HydrophobicContact CG-CD2 3.63Å; F97-F134 HydrophobicContact CE2-CE2 4.38Å
98K85.6Confident88.6Confident123 Ų12379.6 Ų79.654%0.53542%0.416SS..Hα-helixtrans-53.8-49.3-175.2173-178.7175.3-170.40112.5N94 V101 K102N94-K98 WeakPolarHBondContact O-CA 3.44Å; N94-K98 WeakPolarHBondContact O-CB 3.49Å; N94-K98 PolarHBondContact O-N 3.32Å; N94-K98 WeakPolarHBondContact OD1-CD 3.43Å; K98-V101 PolarHBondContact O-N 3.43Å; K98-K102 VanDerWaalsContact O-CB 3.27Å; K98-K102 WeakPolarHBondContact O-CB 3.48Å; K98-K102 PolarHBondContact O-N 3.04Å
99D86.6Confident88.5Confident116 Ų11686.2 Ų86.262%0.6245%0.445SS*.Hα-helixtrans-71.4-36.7-176.1-64.8-28.6000112F97 K102 S103F97-D99 PolarHBondContact O-N 3.02Å; D99-K102 PolarHBondContact O-N 2.71Å; D99-S103 VanDerWaalsContact O-CB 3.31Å; D99-S103 WeakPolarHBondContact O-CB 3.44Å; D99-S103 PolarHBondContact O-N 2.88Å; D99-S103 PolarHBondContact O-OG 3.04Å
100K90.6Very high88.5Confident144 Ų14491.1 Ų91.163%0.62647%0.468SS*.Hα-helixtrans-63.9-42.6175.4-65.6-174.8179-175.30112.4F97 S103 A104F97-K100 PolarHBondContact O-N 3.38Å; K100-S103 PolarHBondContact O-OG 3.03Å; K100-A104 WeakPolarHBondContact O-CB 3.43Å; K100-A104 PolarHBondContact O-N 3.14Å
101V88.1Confident88.5Confident17 Ų1791 Ų9110%0.10347%0.466CS..Hα-helixtrans-72.5-38.9177.5-179.50000110.5F97 K98 S103 A104 F105 S123 A126 A127 L130F97-V101 HydrophobicContact CB-CG2 4.48Å; F97-V101 WeakPolarHBondContact O-CG2 3.21Å; F97-V101 PolarHBondContact O-N 2.92Å; K98-V101 PolarHBondContact O-N 3.43Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 2.91Å; V101-A104 PolarHBondContact O-N 3.34Å; V101-F105 HydrophobicContact CG1-CD2 4.12Å; V101-F105 HydrophobicContact CG1-CE2 4.3Å; V101-F105 WeakPolarHBondContact O-CD2 3.27Å; V101-F105 PolarHBondContact O-N 2.6Å; V101-S123 VanDerWaalsContact CG1-O 3.25Å; V101-S123 WeakPolarHBondContact CG1-O 3.24Å; V101-S123 PolarHBondContact O-OG 3.17Å; V101-A126 HydrophobicContact CG1-CB 4.24Å; V101-A127 HydrophobicContact CB-CB 4.24Å; V101-A127 HydrophobicContact CG1-CB 3.84Å; V101-A127 HydrophobicContact CG2-CB 4.29Å; V101-L130 HydrophobicContact CG2-CD2 4.35Å
102K84.8Confident88.7Confident140 Ų14093.5 Ų93.561%0.60949%0.486SS*.Hα-helixtrans-64-40.6175.8-170.5179.2178.2-171.90111.5K98 D99 F105 Q106K98-K102 VanDerWaalsContact O-CB 3.27Å; K98-K102 WeakPolarHBondContact O-CB 3.48Å; K98-K102 PolarHBondContact O-N 3.04Å; D99-K102 PolarHBondContact O-N 2.71Å; K102-F105 CarbonylContact O-C 3.58Å; K102-F105 PolarHBondContact O-N 2.84Å; K102-Q106 WeakPolarHBondContact O-CG 3.17Å; K102-Q106 PolarHBondContact O-N 3.14Å
103S88.5Confident88.7Confident63 Ų6397 Ų9744%0.44149%0.487SS..Hα-helixtrans-64.7-39.5178.466.50000112.3D99 K100 V101 F105 Q106D99-S103 VanDerWaalsContact O-CB 3.31Å; D99-S103 WeakPolarHBondContact O-CB 3.44Å; D99-S103 PolarHBondContact O-N 2.88Å; D99-S103 PolarHBondContact O-OG 3.04Å; K100-S103 PolarHBondContact O-OG 3.03Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 2.91Å; S103-F105 PolarHBondContact O-N 3.29Å; S103-Q106 WeakPolarHBondContact O-CG 3.11Å; S103-Q106 PolarHBondContact O-N 3.4Å
104A89.8Confident88.8Confident73 Ų73101.3 Ų101.360%0.60351%0.51SS*.Hα-helixtrans-65.7-21.7179.100000114.1K100 V101K100-A104 WeakPolarHBondContact O-CB 3.43Å; K100-A104 PolarHBondContact O-N 3.14Å; V101-A104 PolarHBondContact O-N 3.34Å
105F88.6Confident89Confident65 Ų65101 Ų10129%0.28551%0.511SS..THydrogen-bonded Turntrans-125.335.1-177.6-63.7-78.3000111.8V101 K102 S103 Q107 V122 A126V101-F105 HydrophobicContact CG1-CD2 4.12Å; V101-F105 HydrophobicContact CG1-CE2 4.3Å; V101-F105 WeakPolarHBondContact O-CD2 3.27Å; V101-F105 PolarHBondContact O-N 2.6Å; K102-F105 CarbonylContact O-C 3.58Å; K102-F105 PolarHBondContact O-N 2.84Å; S103-F105 PolarHBondContact O-N 3.29Å; F105-Q107 PolarHBondContact O-N 3.17Å; F105-V122 HydrophobicContact CD1-CG1 4.06Å; F105-V122 HydrophobicContact CE1-CB 4.41Å; F105-V122 HydrophobicContact CE1-CG1 3.45Å; F105-V122 VanDerWaalsContact CE1-CG1 3.45Å; F105-V122 HydrophobicContact CZ-CG1 3.84Å; F105-A126 HydrophobicContact CE2-CB 3.78Å; F105-A126 HydrophobicContact CZ-CB 4.19Å
106Q85.5Confident89.3Confident127 Ų12794 Ų9459%0.59348%0.483SS*.PPolyproline II helixtrans-57.8133.4179.8-80.6173.7-3.700111.8K102 S103 K119K102-Q106 WeakPolarHBondContact O-CG 3.17Å; K102-Q106 PolarHBondContact O-N 3.14Å; S103-Q106 WeakPolarHBondContact O-CG 3.11Å; S103-Q106 PolarHBondContact O-N 3.4Å; Q106-K119 WeakPolarHBondContact O-CD 3.37Å; Q106-K119 PolarHBondContact O-NZ 3.04Å
107Q85.5Confident89.5Confident83 Ų8393 Ų9339%0.38847%0.47SS..PPolyproline II helixtrans-82.2134170.4-62.9-179.8-35.300108.9F105 D111 A116 K119 N120F105-Q107 PolarHBondContact O-N 3.17Å; Q107-D111 WeakPolarHBondContact CA-OD2 3.38Å; Q107-A116 HydrophobicContact CG-CB 4.45Å; Q107-A116 PolarHBondContact NE2-O 3.1Å; Q107-K119 HydrophobicContact CG-CB 4.22Å; Q107-K119 HydrophobicContact CG-CD 4.33Å; Q107-N120 PolarHBondContact NE2-ND2 3.4Å; Q107-N120 PolarHBondContact NE2-OD1 2.89Å
108N89.3Confident89.7Confident100 Ų10097.1 Ų97.154%0.53548%0.484SS..PPolyproline II helixtrans-84151.8167.5-56.6-44.7000108.7D110 D111N108-D110 PolarHBondContact O-N 3.16Å; N108-D111 WeakPolarHBondContact CB-OD1 3.48Å; N108-D111 PolarHBondContact N-OD2 2.93Å; N108-D111 PolarHBondContact ND2-OD1 3.16Å; N108-D111 WeakPolarHBondContact O-CB 2.95Å; N108-D111 PolarHBondContact O-N 3.41Å; N108-D111 VanDerWaalsContact O-N 3.14Å
109K87.6Confident90Very high216 Ų21693.6 Ų93.694%0.93947%0.469SS*.THydrogen-bonded Turntrans-60.1-30.4178.2-69.6-176.3177.9178.10112.5
110D92.3Very high90.3Very high153 Ų15391.2 Ų91.282%0.81846%0.456SS*.THydrogen-bonded Turntrans-94.23.8-178-48.1-49.5000113.2N108 P112N108-D110 PolarHBondContact O-N 3.16Å; D110-P112 WeakPolarHBondContact O-CD 3.02Å
111D91.5Very high90.4Very high30 Ų3084.7 Ų84.716%0.1643%0.429CS..  trans-61.5128.5177.6-78.5-18.9000109.6Q107 N108 V115 A116 K119Q107-D111 WeakPolarHBondContact CA-OD2 3.38Å; N108-D111 WeakPolarHBondContact CB-OD1 3.48Å; N108-D111 PolarHBondContact N-OD2 2.93Å; N108-D111 PolarHBondContact ND2-OD1 3.16Å; N108-D111 WeakPolarHBondContact O-CB 2.95Å; N108-D111 PolarHBondContact O-N 3.41Å; N108-D111 VanDerWaalsContact O-N 3.14Å; D111-V115 HydrophobicContact CB-CB 4.33Å; D111-V115 HydrophobicContact CB-CG1 4.2Å; D111-A116 HydrophobicContact CB-CB 4.27Å; D111-K119 IonicContact OD1-NZ 2.7Å; D111-K119 PolarHBondContact OD1-NZ 3.45Å; D111-K119 WeakPolarHBondContact OD2-CD 3.11Å; D111-K119 WeakPolarHBondContact OD2-CE 3.43Å; D111-K119 IonicContact OD2-NZ 3.85Å; D111-K119 PolarHBondContact OD2-NZ 3.49Å
112P94.2Very high90.6Very high87 Ų8786.9 Ų86.957%0.56544%0.442SS*.  trans-54.8147.4170.6-2533.6000110.8D110 L114 V115 A116D110-P112 WeakPolarHBondContact O-CD 3.02Å; P112-L114 PolarHBondContact O-N 3.44Å; P112-V115 HydrophobicContact CB-CG2 4.32Å; P112-V115 HydrophobicContact CG-CG2 4.3Å; P112-V115 WeakPolarHBondContact O-CA 3.23Å; P112-V115 WeakPolarHBondContact O-CB 3.14Å; P112-V115 PolarHBondContact O-N 3.21Å; P112-A116 PolarHBondContact O-N 3.13Å
113Y90.4Very high91Very high129 Ų12981 Ų8151%0.50642%0.419SS..Hα-helixtrans-46.8-45.6-176.3169.3-99.5000113.2V115 A116 F117 D202Y113-V115 PolarHBondContact O-N 3.01Å; Y113-A116 PolarHBondContact O-N 3.24Å; Y113-F117 WeakPolarHBondContact O-CB 3.28Å; Y113-F117 PolarHBondContact O-N 2.91Å; Y113-D202 HydrophobicContact CE2-CB 4.47Å
114L92.1Very high91.1Very high112 Ų11278.5 Ų78.559%0.58640%0.402SS*.Hα-helixtrans-62.4-40.9179-68.6178.7000112.3P112 F117 Y118P112-L114 PolarHBondContact O-N 3.44Å; L114-F117 PolarHBondContact O-N 3.26Å; L114-Y118 HydrophobicContact CB-CD2 4.49Å; L114-Y118 WeakPolarHBondContact O-CB 3.25Å; L114-Y118 WeakPolarHBondContact O-CD2 3.18Å; L114-Y118 PolarHBondContact O-N 3.34Å
115V94.1Very high91.2Very high63 Ų6375.2 Ų75.238%0.38238%0.376SS..Hα-helixtrans-65.1-47.2177.51770000110.2D111 P112 Y113 F117 Y118 K119D111-V115 HydrophobicContact CB-CB 4.33Å; D111-V115 HydrophobicContact CB-CG1 4.2Å; P112-V115 HydrophobicContact CB-CG2 4.32Å; P112-V115 HydrophobicContact CG-CG2 4.3Å; P112-V115 WeakPolarHBondContact O-CA 3.23Å; P112-V115 WeakPolarHBondContact O-CB 3.14Å; P112-V115 PolarHBondContact O-N 3.21Å; Y113-V115 PolarHBondContact O-N 3.01Å; V115-F117 PolarHBondContact O-N 2.63Å; V115-Y118 PolarHBondContact O-N 2.97Å; V115-K119 HydrophobicContact CG1-CD 4.26Å; V115-K119 WeakPolarHBondContact O-CB 3.37Å; V115-K119 WeakPolarHBondContact O-CG 3.35Å; V115-K119 PolarHBondContact O-N 3.29Å
116A92.3Very high91.4Very high19 Ų1973.9 Ų73.916%0.15738%0.377CS..Hα-helixtrans-57.7-50175.700000110.7Q107 D111 P112 Y113 Y118 K119 N120Q107-A116 HydrophobicContact CG-CB 4.45Å; Q107-A116 PolarHBondContact NE2-O 3.1Å; D111-A116 HydrophobicContact CB-CB 4.27Å; P112-A116 PolarHBondContact O-N 3.13Å; Y113-A116 PolarHBondContact O-N 3.24Å; A116-Y118 PolarHBondContact O-N 3.39Å; A116-K119 PolarHBondContact O-N 2.94Å; A116-N120 PolarHBondContact O-N 3.47Å
117F92.9Very high91.7Very high31 Ų3169.2 Ų69.214%0.13636%0.359CS..Hα-helixtrans-55.1-50.9176.7175.3-98.1000112.2Y113 L114 V115 K119 N120 V121 G195 F198Y113-F117 WeakPolarHBondContact O-CB 3.28Å; Y113-F117 PolarHBondContact O-N 2.91Å; L114-F117 PolarHBondContact O-N 3.26Å; V115-F117 PolarHBondContact O-N 2.63Å; F117-K119 PolarHBondContact O-N 2.89Å; F117-N120 WeakPolarHBondContact O-CB 3.31Å; F117-N120 PolarHBondContact O-N 2.97Å; F117-V121 HydrophobicContact CD1-CG2 4.39Å; F117-V121 HydrophobicContact CD2-CG2 4.45Å; F117-V121 HydrophobicContact CE1-CG2 3.97Å; F117-V121 HydrophobicContact CE2-CG2 4.01Å; F117-V121 HydrophobicContact CZ-CG2 3.77Å; F117-V121 WeakPolarHBondContact O-CG2 3.34Å; F117-V121 PolarHBondContact O-N 2.86Å; F117-G195 WeakPolarHBondContact CZ-O 3.26Å; F117-F198 HydrophobicContact CD2-CB 4.29Å; F117-F198 HydrophobicContact CE2-CB 3.7Å
118Y93Very high92.1Very high149 Ų14965.8 Ų65.858%0.58435%0.347SS*.Hα-helixtrans-61.1-44.5177.8-82.1-64.4000112.2L114 V115 A116 N120 V121 V122L114-Y118 HydrophobicContact CB-CD2 4.49Å; L114-Y118 WeakPolarHBondContact O-CB 3.25Å; L114-Y118 WeakPolarHBondContact O-CD2 3.18Å; L114-Y118 PolarHBondContact O-N 3.34Å; V115-Y118 PolarHBondContact O-N 2.97Å; A116-Y118 PolarHBondContact O-N 3.39Å; Y118-N120 VanDerWaalsContact C-N 3.31Å; Y118-N120 PolarHBondContact O-N 3.04Å; Y118-V121 PolarHBondContact O-N 3.12Å; Y118-V122 WeakPolarHBondContact O-CB 3.32Å; Y118-V122 VanDerWaalsContact O-CG2 3.29Å; Y118-V122 WeakPolarHBondContact O-CG2 3.44Å; Y118-V122 PolarHBondContact O-N 3.09Å
119K93Very high92.3Very high49 Ų4962.2 Ų62.221%0.21333%0.331CS..Hα-helixtrans-57.3-43.6175.1-76.2179.3175.6-176.50111.6Q106 Q107 D111 V115 A116 F117 S123Q106-K119 WeakPolarHBondContact O-CD 3.37Å; Q106-K119 PolarHBondContact O-NZ 3.04Å; Q107-K119 HydrophobicContact CG-CB 4.22Å; Q107-K119 HydrophobicContact CG-CD 4.33Å; D111-K119 IonicContact OD1-NZ 2.7Å; D111-K119 PolarHBondContact OD1-NZ 3.45Å; D111-K119 WeakPolarHBondContact OD2-CD 3.11Å; D111-K119 WeakPolarHBondContact OD2-CE 3.43Å; D111-K119 IonicContact OD2-NZ 3.85Å; D111-K119 PolarHBondContact OD2-NZ 3.49Å; V115-K119 HydrophobicContact CG1-CD 4.26Å; V115-K119 WeakPolarHBondContact O-CB 3.37Å; V115-K119 WeakPolarHBondContact O-CG 3.35Å; V115-K119 PolarHBondContact O-N 3.29Å; A116-K119 PolarHBondContact O-N 2.94Å; F117-K119 PolarHBondContact O-N 2.89Å; K119-S123 WeakPolarHBondContact O-CB 3.38Å; K119-S123 PolarHBondContact O-N 2.85Å
120N91.5Very high92.6Very high65 Ų6554.6 Ų54.635%0.34830%0.3SS..Hα-helixtrans-63-47177-88.1-13.9000112.4Q107 A116 F117 Y118 G124Q107-N120 PolarHBondContact NE2-ND2 3.4Å; Q107-N120 PolarHBondContact NE2-OD1 2.89Å; A116-N120 PolarHBondContact O-N 3.47Å; F117-N120 WeakPolarHBondContact O-CB 3.31Å; F117-N120 PolarHBondContact O-N 2.97Å; Y118-N120 VanDerWaalsContact C-N 3.31Å; Y118-N120 PolarHBondContact O-N 3.04Å; N120-G124 PolarHBondContact O-N 2.91Å
121V93.9Very high92.7Very high8 Ų848.6 Ų48.65%0.04827%0.27CS..Hα-helixtrans-63.8-46.2179.7172.70000110.9F117 Y118 G124 G125 I191 R194 F198F117-V121 HydrophobicContact CD1-CG2 4.39Å; F117-V121 HydrophobicContact CD2-CG2 4.45Å; F117-V121 HydrophobicContact CE1-CG2 3.97Å; F117-V121 HydrophobicContact CE2-CG2 4.01Å; F117-V121 HydrophobicContact CZ-CG2 3.77Å; F117-V121 WeakPolarHBondContact O-CG2 3.34Å; F117-V121 PolarHBondContact O-N 2.86Å; Y118-V121 PolarHBondContact O-N 3.12Å; V121-G124 PolarHBondContact O-N 3.37Å; V121-G125 PolarHBondContact O-N 2.93Å; V121-I191 HydrophobicContact CG1-CG2 3.94Å; V121-R194 HydrophobicContact CG1-CB 4.46Å; V121-F198 HydrophobicContact CG2-CD2 4.4Å
122V92.5Very high92.9Very high62 Ų6247.8 Ų47.838%0.37627%0.266SS..Hα-helixtrans-69-42.6-179.9175.10000111.4F105 Y118 G124 G125 A126F105-V122 HydrophobicContact CD1-CG1 4.06Å; F105-V122 HydrophobicContact CE1-CB 4.41Å; F105-V122 HydrophobicContact CE1-CG1 3.45Å; F105-V122 VanDerWaalsContact CE1-CG1 3.45Å; F105-V122 HydrophobicContact CZ-CG1 3.84Å; Y118-V122 WeakPolarHBondContact O-CB 3.32Å; Y118-V122 VanDerWaalsContact O-CG2 3.29Å; Y118-V122 WeakPolarHBondContact O-CG2 3.44Å; Y118-V122 PolarHBondContact O-N 3.09Å; V122-G124 VanDerWaalsContact C-N 3.33Å; V122-G124 PolarHBondContact O-N 2.83Å; V122-G125 CarbonylContact O-C 3.5Å; V122-G125 WeakPolarHBondContact O-CA 3.45Å; V122-G125 PolarHBondContact O-N 3.44Å; V122-G125 VanDerWaalsContact O-N 3.14Å; V122-A126 WeakPolarHBondContact O-CB 3.19Å; V122-A126 PolarHBondContact O-N 3.37Å
123S92.4Very high93Very high18 Ų1846.7 Ų46.713%0.12626%0.257CS..Hα-helixtrans-56.4-48.9174.3-175.10000111.2V101 K119 A126 A127V101-S123 VanDerWaalsContact CG1-O 3.25Å; V101-S123 WeakPolarHBondContact CG1-O 3.24Å; V101-S123 PolarHBondContact O-OG 3.17Å; K119-S123 WeakPolarHBondContact O-CB 3.38Å; K119-S123 PolarHBondContact O-N 2.85Å; S123-A126 PolarHBondContact O-N 2.99Å; S123-A127 WeakPolarHBondContact O-CB 3.41Å; S123-A127 PolarHBondContact O-N 2.88Å
124G90.3Very high93.3Very high10 Ų1046 Ų4610%0.10326%0.257CS..Hα-helixtrans-56.9-55.3172.500000110.8N120 V121 V122 A126 A127 G128 R194N120-G124 PolarHBondContact O-N 2.91Å; V121-G124 PolarHBondContact O-N 3.37Å; V122-G124 VanDerWaalsContact C-N 3.33Å; V122-G124 PolarHBondContact O-N 2.83Å; G124-A126 VanDerWaalsContact C-N 3.31Å; G124-A126 PolarHBondContact O-N 3.49Å; G124-A127 PolarHBondContact O-N 3.36Å; G124-A127 VanDerWaalsContact O-N 3.15Å; G124-G128 PolarHBondContact O-N 2.89Å; G124-R194 VanDerWaalsContact CA-CZ 3.4Å; G124-R194 PolarHBondContact O-NH1 3.45Å
125G92.7Very high93.5Very high4 Ų440.8 Ų40.84%0.04123%0.23CC..Hα-helixtrans-46.8-51.9178.100000112.9V121 V122 G128 A129V121-G125 PolarHBondContact O-N 2.93Å; V122-G125 CarbonylContact O-C 3.5Å; V122-G125 WeakPolarHBondContact O-CA 3.45Å; V122-G125 PolarHBondContact O-N 3.44Å; V122-G125 VanDerWaalsContact O-N 3.14Å; G125-G128 PolarHBondContact O-N 3.35Å; G125-A129 WeakPolarHBondContact O-CB 3.39Å; G125-A129 PolarHBondContact O-N 3.43Å
126A92.6Very high93.7Very high37 Ų3737.8 Ų37.831%0.30621%0.212SC..Hα-helixtrans-62-47.517800000112.3V101 F105 V122 S123 G124 G128 A129 L130V101-A126 HydrophobicContact CG1-CB 4.24Å; F105-A126 HydrophobicContact CE2-CB 3.78Å; F105-A126 HydrophobicContact CZ-CB 4.19Å; V122-A126 WeakPolarHBondContact O-CB 3.19Å; V122-A126 PolarHBondContact O-N 3.37Å; S123-A126 PolarHBondContact O-N 2.99Å; G124-A126 VanDerWaalsContact C-N 3.31Å; G124-A126 PolarHBondContact O-N 3.49Å; A126-G128 VanDerWaalsContact C-N 3.27Å; A126-G128 PolarHBondContact O-N 3.46Å; A126-A129 PolarHBondContact O-N 3.02Å; A126-L130 VanDerWaalsContact O-CB 3.31Å; A126-L130 WeakPolarHBondContact O-CB 3.39Å; A126-L130 PolarHBondContact O-N 2.72Å
127A92.5Very high93.9Very high28 Ų2837.8 Ų37.823%0.23121%0.211CC..Hα-helixtrans-59.9-40176.200000112V101 S123 G124 S131V101-A127 HydrophobicContact CB-CB 4.24Å; V101-A127 HydrophobicContact CG1-CB 3.84Å; V101-A127 HydrophobicContact CG2-CB 4.29Å; S123-A127 WeakPolarHBondContact O-CB 3.41Å; S123-A127 PolarHBondContact O-N 2.88Å; G124-A127 PolarHBondContact O-N 3.36Å; G124-A127 VanDerWaalsContact O-N 3.15Å; A127-S131 WeakPolarHBondContact O-CB 3.48Å; A127-S131 PolarHBondContact O-N 3.41Å; A127-S131 PolarHBondContact O-OG 3.04Å
128G92.8Very high94.2Very high12 Ų1237.3 Ų37.312%0.12421%0.21CC..Hα-helixtrans-67.3-48177.300000112.1G124 G125 A126 S131 L132G124-G128 PolarHBondContact O-N 2.89Å; G125-G128 PolarHBondContact O-N 3.35Å; A126-G128 VanDerWaalsContact C-N 3.27Å; A126-G128 PolarHBondContact O-N 3.46Å; G128-S131 WeakPolarHBondContact O-CB 3.24Å; G128-S131 PolarHBondContact O-N 3.24Å; G128-L132 WeakPolarHBondContact O-CG 3.25Å; G128-L132 PolarHBondContact O-N 3.37Å
129A94.2Very high94.4Very high24 Ų2430.7 Ų30.720%0.19818%0.184CC..Hα-helixtrans-60.8-44.7177.100000111.8G125 A126 S131 L132 V133 C187G125-A129 WeakPolarHBondContact O-CB 3.39Å; G125-A129 PolarHBondContact O-N 3.43Å; A126-A129 PolarHBondContact O-N 3.02Å; A129-S131 VanDerWaalsContact C-N 3.32Å; A129-S131 PolarHBondContact O-N 2.84Å; A129-L132 WeakPolarHBondContact O-CB 3.13Å; A129-L132 PolarHBondContact O-N 3.46Å; A129-L132 VanDerWaalsContact O-N 3.16Å; A129-V133 PolarHBondContact O-N 3.49Å; A129-V133 VanDerWaalsContact O-N 3.16Å; A129-C187 HydrophobicContact CB-CB 4.22Å
130L93.7Very high94.7Very high56 Ų5628.4 Ų28.429%0.29317%0.174SC..Hα-helixtrans-59.4-44174.4179.761.8000111.3F97 V101 A126 L132 V133 F134F97-L130 HydrophobicContact CB-CD2 3.86Å; F97-L130 HydrophobicContact CD1-CD2 3.81Å; F97-L130 HydrophobicContact CD2-CD2 4.03Å; F97-L130 HydrophobicContact CE1-CD2 4.35Å; F97-L130 HydrophobicContact CG-CD2 3.63Å; V101-L130 HydrophobicContact CG2-CD2 4.35Å; A126-L130 VanDerWaalsContact O-CB 3.31Å; A126-L130 WeakPolarHBondContact O-CB 3.39Å; A126-L130 PolarHBondContact O-N 2.72Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 3.28Å; L130-V133 WeakPolarHBondContact O-CB 3.44Å; L130-V133 PolarHBondContact O-N 2.67Å; L130-F134 HydrophobicContact CD1-CE2 4.26Å; L130-F134 WeakPolarHBondContact O-CD2 3.31Å
131S94.6Very high95Very high27 Ų2725.3 Ų25.319%0.18916%0.158CC..Hα-helixtrans-60.7-42.7176.2-59.50000111.4A127 G128 A129 V133 F134 V135A127-S131 WeakPolarHBondContact O-CB 3.48Å; A127-S131 PolarHBondContact O-N 3.41Å; A127-S131 PolarHBondContact O-OG 3.04Å; G128-S131 WeakPolarHBondContact O-CB 3.24Å; G128-S131 PolarHBondContact O-N 3.24Å; A129-S131 VanDerWaalsContact C-N 3.32Å; A129-S131 PolarHBondContact O-N 2.84Å; S131-V133 PolarHBondContact O-N 2.98Å; S131-F134 PolarHBondContact O-N 2.98Å; S131-F134 VanDerWaalsContact O-N 3.16Å; S131-V135 WeakPolarHBondContact O-CG2 3.4Å; S131-V135 PolarHBondContact O-N 3.05Å
132L96Very high95.2Very high13 Ų1325.8 Ų25.87%0.06816%0.159CC..Hα-helixtrans-59.8-32.7177.6-69.3-172.4000112.2G128 A129 L130 F134 V135 Y136 F183 I190G128-L132 WeakPolarHBondContact O-CG 3.25Å; G128-L132 PolarHBondContact O-N 3.37Å; A129-L132 WeakPolarHBondContact O-CB 3.13Å; A129-L132 PolarHBondContact O-N 3.46Å; A129-L132 VanDerWaalsContact O-N 3.16Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 3.28Å; L132-F134 PolarHBondContact O-N 2.98Å; L132-F134 VanDerWaalsContact O-N 3.08Å; L132-V135 HydrophobicContact CD2-CG2 4.37Å; L132-V135 PolarHBondContact O-N 3.21Å; L132-Y136 HydrophobicContact CB-CD2 4.31Å; L132-Y136 HydrophobicContact CD1-CD2 4.17Å; L132-Y136 HydrophobicContact CD2-CD2 4.12Å; L132-Y136 HydrophobicContact CG-CD2 4.43Å; L132-Y136 WeakPolarHBondContact O-CA 3.26Å; L132-Y136 WeakPolarHBondContact O-CB 3.44Å; L132-Y136 PolarHBondContact O-N 3.1Å; L132-F183 HydrophobicContact CB-CD2 4.19Å; L132-F183 HydrophobicContact CB-CE2 3.58Å; L132-F183 HydrophobicContact CB-CZ 4.45Å; L132-I190 HydrophobicContact CD1-CD1 3.66Å; L132-I190 HydrophobicContact CG-CD1 4.09Å
133V96.1Very high95.5Very high64 Ų6422.8 Ų22.839%0.38814%0.141SC..Hα-helixtrans-50.5-40.6176.8175.50000111.4A129 L130 S131 Y180 F183A129-V133 PolarHBondContact O-N 3.49Å; A129-V133 VanDerWaalsContact O-N 3.16Å; L130-V133 WeakPolarHBondContact O-CB 3.44Å; L130-V133 PolarHBondContact O-N 2.67Å; S131-V133 PolarHBondContact O-N 2.98Å; V133-Y180 WeakPolarHBondContact O-CE1 3.22Å; V133-Y180 PolarHBondContact O-OH 2.81Å; V133-F183 HydrophobicContact CG2-CE2 4.42Å; V133-F183 HydrophobicContact CG2-CZ 4Å
134F95.3Very high95.8Very high114 Ų11422.1 Ų22.150%0.514%0.135SC..Hα-helixtrans-90.9-39.2-178.3-60.9-83.7000113.2L93 F97 L130 S131 L132L93-F134 HydrophobicContact CD1-CB 3.7Å; L93-F134 HydrophobicContact CD1-CD2 4.07Å; L93-F134 HydrophobicContact CD1-CG 4.17Å; L93-F134 HydrophobicContact CD2-CB 4.29Å; L93-F134 HydrophobicContact CD2-CD2 3.48Å; L93-F134 VanDerWaalsContact CD2-CD2 3.48Å; L93-F134 HydrophobicContact CD2-CE2 3.91Å; L93-F134 HydrophobicContact CD2-CG 3.87Å; L93-F134 HydrophobicContact CG-CD2 4.44Å; F97-F134 HydrophobicContact CE2-CE2 4.38Å; L130-F134 HydrophobicContact CD1-CE2 4.26Å; L130-F134 WeakPolarHBondContact O-CD2 3.31Å; S131-F134 PolarHBondContact O-N 2.98Å; S131-F134 VanDerWaalsContact O-N 3.16Å; L132-F134 PolarHBondContact O-N 2.98Å; L132-F134 VanDerWaalsContact O-N 3.08Å
135V96.7Very high96.2Very high4 Ų422 Ų222%0.02413%0.132CC..Hα-helixtrans-102.8-6.5-168.5-47.30000114.7R86 P89 L93 S131 L132 S137 L138 D139R86-V135 HydrophobicContact CG-CB 4.08Å; R86-V135 HydrophobicContact CG-CG2 4.25Å; P89-V135 HydrophobicContact CB-CG1 3.83Å; L93-V135 HydrophobicContact CD1-CG1 3.54Å; S131-V135 WeakPolarHBondContact O-CG2 3.4Å; S131-V135 PolarHBondContact O-N 3.05Å; L132-V135 HydrophobicContact CD2-CG2 4.37Å; L132-V135 PolarHBondContact O-N 3.21Å; V135-S137 PolarHBondContact O-N 2.63Å; V135-L138 WeakPolarHBondContact O-CB 3.23Å; V135-L138 PolarHBondContact O-N 3.46Å; V135-L138 VanDerWaalsContact O-N 3.14Å; V135-D139 PolarHBondContact O-N 3.25Å
136Y98Very high96.4Very high0 Ų021.9 Ų21.90%013%0.131CC..Hα-helixtrans-61.6-34.5-176.4-169.1-94.5000112.9L132 L138 D139 Y140 L179 Y180 R181 G182 F183 S186 R240 M244L132-Y136 HydrophobicContact CB-CD2 4.31Å; L132-Y136 HydrophobicContact CD1-CD2 4.17Å; L132-Y136 HydrophobicContact CD2-CD2 4.12Å; L132-Y136 HydrophobicContact CG-CD2 4.43Å; L132-Y136 WeakPolarHBondContact O-CA 3.26Å; L132-Y136 WeakPolarHBondContact O-CB 3.44Å; L132-Y136 PolarHBondContact O-N 3.1Å; Y136-L138 PolarHBondContact O-N 3.42Å; Y136-D139 WeakPolarHBondContact O-CB 3.39Å; Y136-D139 PolarHBondContact O-N 2.88Å; Y136-Y140 PolarHBondContact O-N 3.02Å; Y136-L179 VanDerWaalsContact CD1-O 3.26Å; Y136-L179 WeakPolarHBondContact CD1-O 3.29Å; Y136-L179 WeakPolarHBondContact CE1-O 3.4Å; Y136-Y180 HydrophobicContact CD1-CD1 4.01Å; Y136-Y180 HydrophobicContact CD1-CG 4.37Å; Y136-Y180 HydrophobicContact CG-CD1 4.33Å; Y136-R181 PolarHBondContact OH-O 3.13Å; Y136-G182 VanDerWaalsContact OH-CA 3.28Å; Y136-G182 WeakPolarHBondContact OH-CA 3.26Å; Y136-G182 PolarHBondContact OH-O 3Å; Y136-F183 HydrophobicContact CD1-CD2 4.45Å; Y136-F183 AromaticContact CD2-CD2 3.97Å; Y136-F183 HydrophobicContact CD2-CD2 3.97Å; Y136-F183 HydrophobicContact CE1-CB 4.29Å; Y136-F183 HydrophobicContact CE2-CB 4.45Å; Y136-F183 HydrophobicContact CE2-CD2 4.44Å; Y136-F183 AromaticContact CG-CD2 3.96Å; Y136-F183 HydrophobicContact CG-CD2 3.96Å; Y136-F183 PolarHBondContact OH-N 3.28Å; Y136-F183 VanDerWaalsContact OH-N 3.14Å; Y136-S186 VanDerWaalsContact CE2-OG 3.25Å; Y136-S186 WeakPolarHBondContact CE2-OG 3.42Å; Y136-S186 PolarHBondContact OH-OG 3.13Å; Y136-R240 VanDerWaalsContact CE2-NH2 3.31Å; Y136-M244 HydrophobicContact CE1-CE 3.72Å; Y136-M244 HydrophobicContact CE2-CE 3.71Å; Y136-M244 WeakPolarHBondContact OH-CE 3.42Å
137S97.9Very high96.7Very high18 Ų1820.2 Ų20.213%0.12612%0.117CC..Hα-helixtrans-62-30.4179.477.40000112.5V135 Y140 A141 Y167V135-S137 PolarHBondContact O-N 2.63Å; S137-Y140 WeakPolarHBondContact O-CB 3.49Å; S137-A141 WeakPolarHBondContact O-CB 3.31Å; S137-A141 PolarHBondContact O-N 3.15Å; S137-Y167 PolarHBondContact O-OH 2.83Å; S137-Y167 PolarHBondContact OG-OH 2.93Å
138L98Very high96.9Very high22 Ų2219 Ų1912%0.11511%0.107CC..Hα-helixtrans-72.9-37.1173.3-67.9170.7000111.9P82 R86 V135 Y136 Y140 A141 R142P82-L138 HydrophobicContact CB-CB 4.47Å; P82-L138 HydrophobicContact CB-CD2 4.09Å; R86-L138 HydrophobicContact CB-CB 4.19Å; R86-L138 HydrophobicContact CB-CD1 3.94Å; R86-L138 HydrophobicContact CG-CB 4.39Å; R86-L138 HydrophobicContact CG-CD1 4.35Å; V135-L138 WeakPolarHBondContact O-CB 3.23Å; V135-L138 PolarHBondContact O-N 3.46Å; V135-L138 VanDerWaalsContact O-N 3.14Å; Y136-L138 PolarHBondContact O-N 3.42Å; L138-Y140 VanDerWaalsContact C-N 3.34Å; L138-A141 PolarHBondContact O-N 3.41Å; L138-R142 VanDerWaalsContact O-CB 3.3Å; L138-R142 WeakPolarHBondContact O-CB 3.36Å; L138-R142 PolarHBondContact O-N 2.94Å
139D98Very high96.9Very high10 Ų1018.4 Ų18.45%0.05310%0.101CC..Hα-helixtrans-64.6-41172.5-83.7-30.7000111.5R86 V135 Y136 T143 R240 R241 M244R86-D139 VanDerWaalsContact CD-OD1 3.24Å; R86-D139 WeakPolarHBondContact CD-OD1 3.27Å; R86-D139 IonicContact CZ-OD1 3.9Å; R86-D139 IonicContact NE-OD1 2.9Å; R86-D139 PolarHBondContact NE-OD1 2.9Å; R86-D139 VanDerWaalsContact NE-OD1 3.11Å; V135-D139 PolarHBondContact O-N 3.25Å; Y136-D139 WeakPolarHBondContact O-CB 3.39Å; Y136-D139 PolarHBondContact O-N 2.88Å; D139-T143 PolarHBondContact O-N 3.36Å; D139-T143 PolarHBondContact O-OG1 2.92Å; D139-R240 VanDerWaalsContact CB-NH2 3.3Å; D139-R240 VanDerWaalsContact CG-NH2 3.33Å; D139-R240 IonicContact OD2-CZ 2.7Å; D139-R240 IonicContact OD2-NH1 2.87Å; D139-R240 IonicContact OD2-NH2 3.42Å; D139-R240 PolarHBondContact OD2-NH2 3.4Å; D139-R241 PolarHBondContact O-NH1 3.41Å; D139-M244 HydrophobicContact CB-CE 4.1Å
140Y98.7Very high96.9Very high0 Ų021.5 Ų21.50%011%0.11CC..Hα-helixtrans-58.8-52.4172.2169.1-89.4000110.9Y136 S137 L138 R142 T143 R144 V166 T170 G178 L179 M244 S247Y136-Y140 PolarHBondContact O-N 3.02Å; S137-Y140 WeakPolarHBondContact O-CB 3.49Å; L138-Y140 VanDerWaalsContact C-N 3.34Å; Y140-R142 VanDerWaalsContact C-N 3.31Å; Y140-R142 PolarHBondContact O-N 2.83Å; Y140-T143 PolarHBondContact O-N 3.47Å; Y140-T143 VanDerWaalsContact O-N 3.08Å; Y140-R144 HydrophobicContact CD1-CG 4.19Å; Y140-R144 HydrophobicContact CD2-CG 4.4Å; Y140-R144 HydrophobicContact CE1-CG 3.64Å; Y140-R144 HydrophobicContact CE2-CG 3.89Å; Y140-R144 VanDerWaalsContact CZ-CG 3.45Å; Y140-R144 WeakPolarHBondContact O-CG 3.39Å; Y140-R144 PolarHBondContact O-N 2.94Å; Y140-V166 HydrophobicContact CD1-CG1 4.27Å; Y140-V166 HydrophobicContact CE1-CG1 3.73Å; Y140-T170 HydrophobicContact CE1-CG2 4.03Å; Y140-T170 WeakPolarHBondContact CE1-OG1 3.37Å; Y140-T170 PolarHBondContact OH-OG1 3.17Å; Y140-G178 WeakPolarHBondContact CE2-O 3.39Å; Y140-L179 WeakPolarHBondContact CB-O 3.06Å; Y140-L179 HydrophobicContact CD1-CD2 3.63Å; Y140-L179 HydrophobicContact CE1-CD2 3.65Å; Y140-M244 HydrophobicContact CD2-CB 3.97Å; Y140-M244 HydrophobicContact CD2-CG 4.12Å; Y140-M244 HydrophobicContact CE2-CB 4.44Å; Y140-M244 WeakPolarHBondContact CE2-O 3.33Å; Y140-S247 WeakPolarHBondContact OH-CB 3.29Å
141A98.6Very high96.5Very high0 Ų019.1 Ų19.10%010%0.097CC..Hα-helixtrans-63.1-38.2-177.700000112.7P82 S137 L138 R144 L145 L163 V166 Y167P82-A141 HydrophobicContact CB-CB 4.39Å; S137-A141 WeakPolarHBondContact O-CB 3.31Å; S137-A141 PolarHBondContact O-N 3.15Å; L138-A141 PolarHBondContact O-N 3.41Å; A141-R144 PolarHBondContact O-N 3.34Å; A141-L145 WeakPolarHBondContact O-CB 3.43Å; A141-L145 WeakPolarHBondContact O-CG 3.45Å; A141-L145 PolarHBondContact O-N 3.19Å; A141-L163 HydrophobicContact CB-CD1 3.39Å; A141-V166 HydrophobicContact CB-CG1 4.1Å; A141-Y167 HydrophobicContact CB-CE2 4.46Å
142R98.4Very high95.6Very high18 Ų1820.5 Ų20.57%0.06811%0.111CC..Hα-helixtrans-57-50.1170.7176.3-174.3-168.1-172.57.3111.5E35 L39 G79 P82 N83 L138 Y140 L145 A146E35-R142 IonicContact OE1-CZ 3.56Å; E35-R142 IonicContact OE1-NE 3.52Å; E35-R142 IonicContact OE1-NH1 2.75Å; E35-R142 PolarHBondContact OE1-NH1 2.85Å; E35-R142 IonicContact OE1-NH2 3.29Å; E35-R142 PolarHBondContact OE1-NH2 3.18Å; L39-R142 HydrophobicContact CD1-CG 4.5Å; G79-R142 WeakPolarHBondContact O-CG 3.05Å; P82-R142 HydrophobicContact CB-CB 4.37Å; P82-R142 HydrophobicContact CG-CB 3.92Å; N83-R142 HydrophobicContact CB-CG 4.43Å; N83-R142 VanDerWaalsContact CG-NH2 3.25Å; N83-R142 PolarHBondContact ND2-NH2 3.09Å; N83-R142 VanDerWaalsContact ND2-NH2 3.13Å; N83-R142 PolarHBondContact OD1-NH1 3.34Å; N83-R142 PolarHBondContact OD1-NH2 2.9Å; L138-R142 VanDerWaalsContact O-CB 3.3Å; L138-R142 WeakPolarHBondContact O-CB 3.36Å; L138-R142 PolarHBondContact O-N 2.94Å; Y140-R142 VanDerWaalsContact C-N 3.31Å; Y140-R142 PolarHBondContact O-N 2.83Å; R142-L145 PolarHBondContact O-N 2.66Å; R142-A146 WeakPolarHBondContact O-CB 3.36Å; R142-A146 PolarHBondContact O-N 2.81Å
143T98.5Very high94.6Very high0 Ų027.6 Ų27.60%014%0.141CC..Hα-helixtrans-64.2-42.4-179.3-69.80000111.8D139 Y140 N147 R241 M244 M245D139-T143 PolarHBondContact O-N 3.36Å; D139-T143 PolarHBondContact O-OG1 2.92Å; Y140-T143 PolarHBondContact O-N 3.47Å; Y140-T143 VanDerWaalsContact O-N 3.08Å; T143-N147 WeakPolarHBondContact O-CB 3.45Å; T143-N147 PolarHBondContact O-N 3.37Å; T143-N147 PolarHBondContact O-ND2 2.86Å; T143-R241 HydrophobicContact CG2-CB 4.37Å; T143-R241 WeakPolarHBondContact OG1-CD 3.39Å; T143-R241 PolarHBondContact OG1-NH1 3.01Å; T143-M244 HydrophobicContact CG2-CB 4Å; T143-M244 HydrophobicContact CG2-SD 4.06Å; T143-M245 HydrophobicContact CG2-CG 4.32Å; T143-M245 HydrophobicContact CG2-SD 3.98Å
144R98.4Very high93.5Very high3 Ų331.6 Ų31.61%0.01115%0.153CC..Hα-helixtrans-61.3-50.4175.3-65.9-62.5-69.3148.1-4.2111.4Y140 A141 D148 E159 F160 V166 M244 M245Y140-R144 HydrophobicContact CD1-CG 4.19Å; Y140-R144 HydrophobicContact CD2-CG 4.4Å; Y140-R144 HydrophobicContact CE1-CG 3.64Å; Y140-R144 HydrophobicContact CE2-CG 3.89Å; Y140-R144 VanDerWaalsContact CZ-CG 3.45Å; Y140-R144 WeakPolarHBondContact O-CG 3.39Å; Y140-R144 PolarHBondContact O-N 2.94Å; A141-R144 PolarHBondContact O-N 3.34Å; R144-D148 VanDerWaalsContact O-CB 3.29Å; R144-D148 WeakPolarHBondContact O-CB 3.38Å; R144-D148 PolarHBondContact O-N 3.42Å; R144-D148 VanDerWaalsContact O-N 3.14Å; R144-E159 IonicContact CZ-OE1 2.63Å; R144-E159 IonicContact CZ-OE2 2.98Å; R144-E159 IonicContact NH2-OE1 3.79Å; R144-E159 PolarHBondContact NH2-OE1 2.79Å; R144-E159 IonicContact NH2-OE2 3.01Å; R144-E159 PolarHBondContact NH2-OE2 3.05Å; R144-F160 HydrophobicContact CB-CD2 4.37Å; R144-F160 HydrophobicContact CB-CE2 3.84Å; R144-F160 HydrophobicContact CB-CZ 4.42Å; R144-F160 HydrophobicContact CG-CE2 4.49Å; R144-V166 HydrophobicContact CB-CG1 4.15Å; R144-V166 HydrophobicContact CB-CG2 4.44Å; R144-V166 HydrophobicContact CG-CG1 4.3Å; R144-M244 WeakPolarHBondContact CD-O 3.4Å; R144-M245 PolarHBondContact NH1-O 3.05Å; R144-M245 VanDerWaalsContact NH1-O 3.16Å
145L98.4Very high92.7Very high8 Ų829.9 Ų29.94%0.04217%0.168CC..Hα-helixtrans-66.5-41.6-178-73.8169.8000113.5R78 P82 A141 R142 N147 D148 F160 V166R78-L145 VanDerWaalsContact CD-O 3.26Å; R78-L145 WeakPolarHBondContact CD-O 3.32Å; R78-L145 HydrophobicContact CG-CB 4.46Å; R78-L145 VanDerWaalsContact CG-O 3.32Å; R78-L145 WeakPolarHBondContact CG-O 3.28Å; R78-L145 PolarHBondContact NE-O 3.18Å; P82-L145 HydrophobicContact CG-CD1 4.2Å; A141-L145 WeakPolarHBondContact O-CB 3.43Å; A141-L145 WeakPolarHBondContact O-CG 3.45Å; A141-L145 PolarHBondContact O-N 3.19Å; R142-L145 PolarHBondContact O-N 2.66Å; L145-N147 VanDerWaalsContact C-N 3.29Å; L145-N147 PolarHBondContact O-N 3.29Å; L145-D148 WeakPolarHBondContact O-CB 3.41Å; L145-D148 PolarHBondContact O-N 3.31Å; L145-F160 HydrophobicContact CD2-CB 3.83Å; L145-V166 HydrophobicContact CD1-CG2 4.26Å; L145-V166 HydrophobicContact CD2-CG2 3.73Å; L145-V166 HydrophobicContact CG-CG2 3.7Å
146A98.2Very high92.2Very high2 Ų231.3 Ų31.32%0.01718%0.184CC..Hα-helixtrans-62.6-38.7-177.900000112.2R36 L39 R78 R142R36-A146 HydrophobicContact CG-CB 4.36Å; R36-A146 PolarHBondContact NE-O 2.95Å; L39-A146 HydrophobicContact CB-CB 4.16Å; L39-A146 HydrophobicContact CD1-CB 3.49Å; L39-A146 VanDerWaalsContact CD1-CB 3.49Å; L39-A146 HydrophobicContact CG-CB 4.48Å; R78-A146 WeakPolarHBondContact O-CA 3.38Å; R142-A146 WeakPolarHBondContact O-CB 3.36Å; R142-A146 PolarHBondContact O-N 2.81Å
147N98.1Very high91.9Very high1 Ų135.3 Ų35.31%0.00521%0.208CC..THydrogen-bonded Turntrans-89.5-1.2-179.8-65.4-61.6000113.9L39 L40 N43 M47 T143 L145 N149 M245L39-N147 PolarHBondContact O-OD1 3.31Å; L40-N147 WeakPolarHBondContact CA-OD1 3.35Å; L40-N147 PolarHBondContact N-OD1 3.23Å; N43-N147 PolarHBondContact ND2-ND2 2.92Å; M47-N147 HydrophobicContact CG-CB 4.24Å; M47-N147 HydrophobicContact SD-CB 4.15Å; T143-N147 WeakPolarHBondContact O-CB 3.45Å; T143-N147 PolarHBondContact O-N 3.37Å; T143-N147 PolarHBondContact O-ND2 2.86Å; L145-N147 VanDerWaalsContact C-N 3.29Å; L145-N147 PolarHBondContact O-N 3.29Å; N147-N149 PolarHBondContact O-N 3.43Å; N147-M245 HydrophobicContact CB-CE 3.44Å; N147-M245 VanDerWaalsContact CB-CE 3.44Å; N147-M245 HydrophobicContact CB-SD 3.85Å
148D96.1Very high91.7Very high3 Ų337.2 Ų37.22%0.01621%0.212CC..  trans-79.365.2-179.2-179.129.2000111.2R52 R78 R144 L145 R158 E159 F160R52-D148 IonicContact CZ-OD1 3.73Å; R52-D148 IonicContact NH1-OD1 2.71Å; R52-D148 PolarHBondContact NH1-OD1 2.99Å; R78-D148 IonicContact CZ-OD2 3.02Å; R78-D148 IonicContact NE-OD2 2.82Å; R78-D148 IonicContact NH2-OD2 3.97Å; R78-D148 PolarHBondContact NH2-OD2 2.88Å; R144-D148 VanDerWaalsContact O-CB 3.29Å; R144-D148 WeakPolarHBondContact O-CB 3.38Å; R144-D148 PolarHBondContact O-N 3.42Å; R144-D148 VanDerWaalsContact O-N 3.14Å; L145-D148 WeakPolarHBondContact O-CB 3.41Å; L145-D148 PolarHBondContact O-N 3.31Å; D148-R158 PolarHBondContact O-NH1 2.91Å; D148-E159 WeakPolarHBondContact OD1-CA 3.42Å; D148-E159 WeakPolarHBondContact OD1-CB 3.14Å; D148-E159 PolarHBondContact OD1-N 3.42Å; D148-E159 PolarHBondContact OD2-N 3.39Å; D148-F160 HydrophobicContact CB-CD2 4.16Å; D148-F160 PolarHBondContact OD2-N 3.28Å
149N94.2Very high91.6Very high0 Ų037.9 Ų37.90%022%0.215CC..PPolyproline II helixtrans-64.2151.2173.6-83.911.6000111.2R36 L40 M47 R52 Y57 E71 N147 S151R36-N149 PolarHBondContact NH2-OD1 3.16Å; L40-N149 VanDerWaalsContact CD2-OD1 3.28Å; L40-N149 WeakPolarHBondContact CD2-OD1 3.43Å; M47-N149 HydrophobicContact CE-CB 3.84Å; M47-N149 WeakPolarHBondContact CE-ND2 3.43Å; R52-N149 HydrophobicContact CB-CB 4.46Å; R52-N149 PolarHBondContact NH1-O 3.2Å; Y57-N149 PolarHBondContact OH-ND2 2.93Å; Y57-N149 VanDerWaalsContact OH-ND2 3.14Å; E71-N149 VanDerWaalsContact OE1-CA 3.25Å; E71-N149 WeakPolarHBondContact OE1-CA 3.45Å; N147-N149 PolarHBondContact O-N 3.43Å; N149-S151 PolarHBondContact O-N 3.27Å
150K92.3Very high91.5Very high89 Ų8937.5 Ų37.539%0.38721%0.213SC..PPolyproline II helixtrans-53.5127165.9-71.8-173.2177.7-179.30108.4E71 A152 G156 R158E71-K150 HydrophobicContact CG-CD 4.46Å; E71-K150 HydrophobicContact CG-CG 4.43Å; E71-K150 PolarHBondContact OE1-N 3.33Å; K150-A152 PolarHBondContact O-N 2.92Å; K150-G156 WeakPolarHBondContact CB-O 3.49Å; K150-G156 WeakPolarHBondContact CD-O 3.29Å; K150-G156 VanDerWaalsContact CG-O 3.31Å; K150-G156 WeakPolarHBondContact CG-O 3.44Å; K150-R158 HydrophobicContact CG-CG 4.12Å
151S85.5Confident91.4Very high5 Ų544.3 Ų44.34%0.03525%0.249CC..PPolyproline II helixtrans-64.3126.3-175.3-179.70000111G51 N149 K153 K154 G156 T157G51-S151 PolarHBondContact O-OG 3.02Å; N149-S151 PolarHBondContact O-N 3.27Å; S151-K153 PolarHBondContact O-N 3.5Å; S151-K153 PolarHBondContact OG-N 2.68Å; S151-K153 VanDerWaalsContact OG-N 3.16Å; S151-K154 WeakPolarHBondContact OG-CB 3.32Å; S151-K154 PolarHBondContact OG-N 3.45Å; S151-G156 WeakPolarHBondContact O-CA 3.44Å; S151-G156 PolarHBondContact O-N 3.18Å; S151-G156 VanDerWaalsContact O-N 3.12Å; S151-T157 PolarHBondContact N-O 3.08Å
152A76.4Confident91.3Very high57 Ų5745.4 Ų45.447%0.47126%0.261SS..THydrogen-bonded Turntrans-65.7-22.9170.500000112.5D54 K150D54-A152 HydrophobicContact CB-CB 3.98Å; K150-A152 PolarHBondContact O-N 2.92Å
153K75Confident91.3Very high161 Ų16146 Ų4670%0.727%0.265SS*.THydrogen-bonded Turntrans-104.6-30.1-175.5-63.4-173.8179-178.70114.3S151S151-K153 PolarHBondContact O-N 3.5Å; S151-K153 PolarHBondContact OG-N 2.68Å; S151-K153 VanDerWaalsContact OG-N 3.16Å
154K74.1Confident91.3Very high148 Ų14851.8 Ų51.864%0.64330%0.3SS*.THydrogen-bonded Turntrans-108.254.3-171.9-60.1-174.2177.9-175.30112.6S151 G156 T157S151-K154 WeakPolarHBondContact OG-CB 3.32Å; S151-K154 PolarHBondContact OG-N 3.45Å; K154-G156 VanDerWaalsContact C-N 3.26Å; K154-G156 PolarHBondContact O-N 3.25Å; K154-G156 VanDerWaalsContact O-N 3.16Å; K154-T157 PolarHBondContact O-N 3.16Å; K154-T157 PolarHBondContact O-OG1 3.26Å
155G77.5Confident91.3Very high79 Ų7953.3 Ų53.381%0.81431%0.308SS*.THydrogen-bonded Turntrans61.627172.400000115.1T157G155-T157 VanDerWaalsContact C-N 3.3Å; G155-T157 PolarHBondContact O-N 3.24Å
156G85.3Confident91.3Very high34 Ų3452.9 Ų52.935%0.35131%0.306SS..THydrogen-bonded Turntrans73.117176.600000115.3K150 S151 K154K150-G156 WeakPolarHBondContact CB-O 3.49Å; K150-G156 WeakPolarHBondContact CD-O 3.29Å; K150-G156 VanDerWaalsContact CG-O 3.31Å; K150-G156 WeakPolarHBondContact CG-O 3.44Å; S151-G156 WeakPolarHBondContact O-CA 3.44Å; S151-G156 PolarHBondContact O-N 3.18Å; S151-G156 VanDerWaalsContact O-N 3.12Å; K154-G156 VanDerWaalsContact C-N 3.26Å; K154-G156 PolarHBondContact O-N 3.25Å; K154-G156 VanDerWaalsContact O-N 3.16Å
157T91.9Very high91.3Very high84 Ų8455 Ų5552%0.51531%0.314SS..  trans-86.1157.1178.559.20000112.6S151 K154 G155S151-T157 PolarHBondContact N-O 3.08Å; K154-T157 PolarHBondContact O-N 3.16Å; K154-T157 PolarHBondContact O-OG1 3.26Å; G155-T157 VanDerWaalsContact C-N 3.3Å; G155-T157 PolarHBondContact O-N 3.24Å
158R94.6Very high91.4Very high57 Ų5757.6 Ų57.622%0.21534%0.336CS..  trans-96.7163.4176-66.5-164.7-171.4-82.81.1111.3E71 D148 K150E71-R158 VanDerWaalsContact CD-NH1 3.34Å; E71-R158 IonicContact OE1-CZ 2.9Å; E71-R158 IonicContact OE1-NH1 3.73Å; E71-R158 PolarHBondContact OE1-NH1 3.41Å; E71-R158 IonicContact OE1-NH2 3.59Å; E71-R158 PolarHBondContact OE1-NH2 3.49Å; E71-R158 IonicContact OE2-CZ 3.82Å; E71-R158 IonicContact OE2-NH1 2.69Å; E71-R158 PolarHBondContact OE2-NH1 3.08Å; E71-R158 VanDerWaalsContact OE2-NH1 3.15Å; E71-R158 IonicContact OE2-NH2 3.69Å; E71-R158 PolarHBondContact OE2-NH2 2.94Å; D148-R158 PolarHBondContact O-NH1 2.91Å; K150-R158 HydrophobicContact CG-CG 4.12Å
159E95.1Very high91.5Very high36 Ų3661.3 Ų61.317%0.16835%0.352CS..SBendtrans-77-42.4174.1-152.9173.4144.600111.1R52 R144 D148 K169R52-E159 VanDerWaalsContact NH2-CA 3.32Å; R52-E159 VanDerWaalsContact NH2-CG 3.29Å; R52-E159 IonicContact NH2-OE2 3.9Å; R144-E159 IonicContact CZ-OE1 2.63Å; R144-E159 IonicContact CZ-OE2 2.98Å; R144-E159 IonicContact NH2-OE1 3.79Å; R144-E159 PolarHBondContact NH2-OE1 2.79Å; R144-E159 IonicContact NH2-OE2 3.01Å; R144-E159 PolarHBondContact NH2-OE2 3.05Å; D148-E159 WeakPolarHBondContact OD1-CA 3.42Å; D148-E159 WeakPolarHBondContact OD1-CB 3.14Å; D148-E159 PolarHBondContact OD1-N 3.42Å; D148-E159 PolarHBondContact OD2-N 3.39Å; E159-K169 PolarHBondContact O-NZ 3.32Å
160F97Very high91.7Very high3 Ų361.4 Ų61.41%0.01335%0.353CS..  trans-121.6143.4-169.7-56.2-68.4000110.6R78 R144 L145 D148 D165 V166 K169R78-F160 PolarHBondContact NH2-O 3.27Å; R144-F160 HydrophobicContact CB-CD2 4.37Å; R144-F160 HydrophobicContact CB-CE2 3.84Å; R144-F160 HydrophobicContact CB-CZ 4.42Å; R144-F160 HydrophobicContact CG-CE2 4.49Å; L145-F160 HydrophobicContact CD2-CB 3.83Å; D148-F160 HydrophobicContact CB-CD2 4.16Å; D148-F160 PolarHBondContact OD2-N 3.28Å; F160-D165 VanDerWaalsContact CA-OD2 3.31Å; F160-D165 WeakPolarHBondContact CA-OD2 3.47Å; F160-V166 HydrophobicContact CB-CG2 3.86Å; F160-V166 HydrophobicContact CD1-CB 4.16Å; F160-V166 HydrophobicContact CD1-CG2 3.67Å; F160-V166 HydrophobicContact CD2-CG2 3.88Å; F160-V166 HydrophobicContact CE1-CB 4.37Å; F160-V166 HydrophobicContact CE1-CG2 4.17Å; F160-V166 HydrophobicContact CE2-CG2 4.38Å; F160-V166 HydrophobicContact CG-CB 4.48Å; F160-V166 HydrophobicContact CG-CG2 3.51Å; F160-K169 HydrophobicContact CD1-CB 4.5Å; F160-K169 HydrophobicContact CD1-CD 3.88Å; F160-K169 HydrophobicContact CE1-CB 3.98Å; F160-K169 HydrophobicContact CE1-CD 3.99Å
161N96.3Very high92Very high142 Ų14262 Ų6276%0.75936%0.356SS*.SBendtrans-89.8-18.6173-67.6-36.3000112.4D165N161-D165 HydrophobicContact CB-CB 4.28Å; N161-D165 PolarHBondContact N-OD2 2.93Å
162G97.1Very high92.6Very high24 Ų2471 Ų7125%0.24739%0.394CS..SBendtrans170.3-168.5-179.900000112V164 D165 V166G162-V164 PolarHBondContact O-N 3.28Å; G162-D165 PolarHBondContact O-N 2.87Å; G162-V166 PolarHBondContact O-N 3.38Å; G162-V166 VanDerWaalsContact O-N 3.12Å
163L98Very high93.6Very high31 Ų3171.1 Ų71.116%0.16239%0.391CS..Hα-helixtrans-58.7-48.8-176.4-179.557.5000112.8P82 L85 A141 D165 V166 Y167P82-L163 HydrophobicContact CB-CD1 4Å; P82-L163 HydrophobicContact CG-CD1 4.35Å; L85-L163 HydrophobicContact CD1-CD2 3.69Å; A141-L163 HydrophobicContact CB-CD1 3.39Å; L163-D165 VanDerWaalsContact C-N 3.29Å; L163-D165 PolarHBondContact O-N 2.95Å; L163-V166 WeakPolarHBondContact O-CB 3.39Å; L163-V166 PolarHBondContact O-N 3.45Å; L163-Y167 HydrophobicContact CD1-CD2 4.01Å; L163-Y167 HydrophobicContact CD1-CE2 3.44Å; L163-Y167 VanDerWaalsContact CD1-CE2 3.44Å; L163-Y167 HydrophobicContact CD2-CE2 4.5Å; L163-Y167 HydrophobicContact CG-CD2 4.14Å; L163-Y167 HydrophobicContact CG-CE2 3.79Å; L163-Y167 VanDerWaalsContact O-CD2 3.24Å; L163-Y167 WeakPolarHBondContact O-CD2 3.33Å; L163-Y167 PolarHBondContact O-N 3.48Å
164V98.3Very high94.7Very high121 Ų12164.8 Ų64.873%0.73337%0.365SS*.Hα-helixtrans-60.8-40.5-179.8178.80000111.2G162 V166 Y167 A168G162-V164 PolarHBondContact O-N 3.28Å; V164-V166 VanDerWaalsContact C-N 3.34Å; V164-V166 PolarHBondContact O-N 3.11Å; V164-Y167 PolarHBondContact O-N 3.24Å; V164-A168 WeakPolarHBondContact O-CB 3.3Å; V164-A168 PolarHBondContact O-N 3.35Å
165D98.4Very high95.8Very high34 Ų3459.1 Ų59.118%0.18235%0.349CS..Hα-helixtrans-67.7-32.7179.5-169.235.8000112.3F160 N161 G162 L163 K169F160-D165 VanDerWaalsContact CA-OD2 3.31Å; F160-D165 WeakPolarHBondContact CA-OD2 3.47Å; N161-D165 HydrophobicContact CB-CB 4.28Å; N161-D165 PolarHBondContact N-OD2 2.93Å; G162-D165 PolarHBondContact O-N 2.87Å; L163-D165 VanDerWaalsContact C-N 3.29Å; L163-D165 PolarHBondContact O-N 2.95Å; D165-K169 VanDerWaalsContact O-CB 3.31Å; D165-K169 WeakPolarHBondContact O-CB 3.4Å; D165-K169 WeakPolarHBondContact O-CG 3.44Å; D165-K169 PolarHBondContact O-N 2.85Å; D165-K169 WeakPolarHBondContact OD1-CD 3.42Å; D165-K169 WeakPolarHBondContact OD1-CE 3.47Å; D165-K169 IonicContact OD1-NZ 3.28Å; D165-K169 PolarHBondContact OD1-NZ 3.46Å; D165-K169 IonicContact OD2-NZ 2.75Å; D165-K169 PolarHBondContact OD2-NZ 2.79Å
166V98.5Very high96.7Very high0 Ų060.7 Ų60.70%034%0.337CS..Hα-helixtrans-59.6-51.2169.9175.30000110.6Y140 A141 R144 L145 F160 G162 L163 V164 T170Y140-V166 HydrophobicContact CD1-CG1 4.27Å; Y140-V166 HydrophobicContact CE1-CG1 3.73Å; A141-V166 HydrophobicContact CB-CG1 4.1Å; R144-V166 HydrophobicContact CB-CG1 4.15Å; R144-V166 HydrophobicContact CB-CG2 4.44Å; R144-V166 HydrophobicContact CG-CG1 4.3Å; L145-V166 HydrophobicContact CD1-CG2 4.26Å; L145-V166 HydrophobicContact CD2-CG2 3.73Å; L145-V166 HydrophobicContact CG-CG2 3.7Å; F160-V166 HydrophobicContact CB-CG2 3.86Å; F160-V166 HydrophobicContact CD1-CB 4.16Å; F160-V166 HydrophobicContact CD1-CG2 3.67Å; F160-V166 HydrophobicContact CD2-CG2 3.88Å; F160-V166 HydrophobicContact CE1-CB 4.37Å; F160-V166 HydrophobicContact CE1-CG2 4.17Å; F160-V166 HydrophobicContact CE2-CG2 4.38Å; F160-V166 HydrophobicContact CG-CB 4.48Å; F160-V166 HydrophobicContact CG-CG2 3.51Å; G162-V166 PolarHBondContact O-N 3.38Å; G162-V166 VanDerWaalsContact O-N 3.12Å; L163-V166 WeakPolarHBondContact O-CB 3.39Å; L163-V166 PolarHBondContact O-N 3.45Å; V164-V166 VanDerWaalsContact C-N 3.34Å; V164-V166 PolarHBondContact O-N 3.11Å; V166-T170 VanDerWaalsContact O-CB 3.31Å; V166-T170 WeakPolarHBondContact O-CB 3.43Å; V166-T170 PolarHBondContact O-N 3.46Å; V166-T170 PolarHBondContact O-OG1 2.89Å
167Y98.5Very high97.3Very high45 Ų4562.3 Ų62.318%0.17635%0.347CS..Hα-helixtrans-60.5-50.3179.1-75.5-72.9000111.4S137 A141 L163 V164 K169 T170 F171 L179S137-Y167 PolarHBondContact O-OH 2.83Å; S137-Y167 PolarHBondContact OG-OH 2.93Å; A141-Y167 HydrophobicContact CB-CE2 4.46Å; L163-Y167 HydrophobicContact CD1-CD2 4.01Å; L163-Y167 HydrophobicContact CD1-CE2 3.44Å; L163-Y167 VanDerWaalsContact CD1-CE2 3.44Å; L163-Y167 HydrophobicContact CD2-CE2 4.5Å; L163-Y167 HydrophobicContact CG-CD2 4.14Å; L163-Y167 HydrophobicContact CG-CE2 3.79Å; L163-Y167 VanDerWaalsContact O-CD2 3.24Å; L163-Y167 WeakPolarHBondContact O-CD2 3.33Å; L163-Y167 PolarHBondContact O-N 3.48Å; V164-Y167 PolarHBondContact O-N 3.24Å; Y167-K169 PolarHBondContact O-N 3.15Å; Y167-T170 PolarHBondContact O-N 3.31Å; Y167-F171 HydrophobicContact CD1-CE2 4.11Å; Y167-F171 WeakPolarHBondContact O-CB 3.25Å; Y167-F171 WeakPolarHBondContact O-CD2 3.32Å; Y167-F171 WeakPolarHBondContact O-CG 3.46Å; Y167-F171 PolarHBondContact O-N 3.32Å; Y167-L179 HydrophobicContact CD1-CD1 3.79Å; Y167-L179 HydrophobicContact CD1-CD2 3.71Å; Y167-L179 HydrophobicContact CD1-CG 4.43Å; Y167-L179 HydrophobicContact CE1-CD1 3.94Å; Y167-L179 HydrophobicContact CE1-CD2 3.94Å
168A98.6Very high97.6Very high57 Ų5758.3 Ų58.347%0.47132%0.323SS..Hα-helixtrans-57.6-48-178.400000112.2V164 K172V164-A168 WeakPolarHBondContact O-CB 3.3Å; V164-A168 PolarHBondContact O-N 3.35Å; A168-K172 WeakPolarHBondContact O-CB 3.43Å; A168-K172 PolarHBondContact O-N 3.28Å; A168-K172 VanDerWaalsContact O-N 3.07Å
169K98.5Very high97.7Very high80 Ų8055.9 Ų55.935%0.34831%0.314SS..Hα-helixtrans-68.4-40.8179.4-76172.3174.9159.90112.4E159 F160 D165 Y167 K172 S173E159-K169 PolarHBondContact O-NZ 3.32Å; F160-K169 HydrophobicContact CD1-CB 4.5Å; F160-K169 HydrophobicContact CD1-CD 3.88Å; F160-K169 HydrophobicContact CE1-CB 3.98Å; F160-K169 HydrophobicContact CE1-CD 3.99Å; D165-K169 VanDerWaalsContact O-CB 3.31Å; D165-K169 WeakPolarHBondContact O-CB 3.4Å; D165-K169 WeakPolarHBondContact O-CG 3.44Å; D165-K169 PolarHBondContact O-N 2.85Å; D165-K169 WeakPolarHBondContact OD1-CD 3.42Å; D165-K169 WeakPolarHBondContact OD1-CE 3.47Å; D165-K169 IonicContact OD1-NZ 3.28Å; D165-K169 PolarHBondContact OD1-NZ 3.46Å; D165-K169 IonicContact OD2-NZ 2.75Å; D165-K169 PolarHBondContact OD2-NZ 2.79Å; Y167-K169 PolarHBondContact O-N 3.15Å; K169-K172 PolarHBondContact O-N 3.13Å; K169-S173 PolarHBondContact O-N 3.5Å; K169-S173 PolarHBondContact O-OG 2.99Å
170T98.5Very high97.9Very high3 Ų357.6 Ų57.62%0.01832%0.319CS..Hα-helixtrans-67.1-41.6177.7-600000112.1Y140 V166 Y167 K172 S173 D174 G175 L179Y140-T170 HydrophobicContact CE1-CG2 4.03Å; Y140-T170 WeakPolarHBondContact CE1-OG1 3.37Å; Y140-T170 PolarHBondContact OH-OG1 3.17Å; V166-T170 VanDerWaalsContact O-CB 3.31Å; V166-T170 WeakPolarHBondContact O-CB 3.43Å; V166-T170 PolarHBondContact O-N 3.46Å; V166-T170 PolarHBondContact O-OG1 2.89Å; Y167-T170 PolarHBondContact O-N 3.31Å; T170-K172 VanDerWaalsContact C-N 3.3Å; T170-K172 PolarHBondContact O-N 2.86Å; T170-S173 PolarHBondContact O-N 3.31Å; T170-S173 PolarHBondContact O-OG 2.93Å; T170-D174 PolarHBondContact O-N 3.08Å; T170-G175 PolarHBondContact O-N 3.33Å; T170-L179 HydrophobicContact CG2-CD2 3.69Å; T170-L179 HydrophobicContact CG2-CG 4.04Å
171F98.3Very high98Very high102 Ų10260 Ų6045%0.44733%0.328SS..Hα-helixtrans-61.1-41.2174.2-78.7-58.8000111.5Y167 G175 I176 L179Y167-F171 HydrophobicContact CD1-CE2 4.11Å; Y167-F171 WeakPolarHBondContact O-CB 3.25Å; Y167-F171 WeakPolarHBondContact O-CD2 3.32Å; Y167-F171 WeakPolarHBondContact O-CG 3.46Å; Y167-F171 PolarHBondContact O-N 3.32Å; F171-G175 VanDerWaalsContact O-CA 3.28Å; F171-G175 WeakPolarHBondContact O-CA 3.34Å; F171-G175 PolarHBondContact O-N 3.43Å; F171-I176 HydrophobicContact CE1-CB 4.08Å; F171-I176 HydrophobicContact CE1-CG1 4.29Å; F171-L179 HydrophobicContact CD1-CD1 4.49Å; F171-L179 HydrophobicContact CE1-CD1 3.73Å; F171-L179 HydrophobicContact CE2-CD1 3.99Å; F171-L179 HydrophobicContact CZ-CD1 3.43Å; F171-L179 VanDerWaalsContact CZ-CD1 3.43Å
172K98.3Very high98.1Very high194 Ų19453.4 Ų53.484%0.84330%0.295SS*.Hα-helixtrans-64.5-37.7176.9-174.3175.7-179.6177.10113A168 K169 T170A168-K172 WeakPolarHBondContact O-CB 3.43Å; A168-K172 PolarHBondContact O-N 3.28Å; A168-K172 VanDerWaalsContact O-N 3.07Å; K169-K172 PolarHBondContact O-N 3.13Å; T170-K172 VanDerWaalsContact C-N 3.3Å; T170-K172 PolarHBondContact O-N 2.86Å
173S97.7Very high98.1Very high58 Ų5854.7 Ų54.741%0.40629%0.293SS..Hα-helixtrans-90-33.7-174.267.40000114.9K169 T170 G248K169-S173 PolarHBondContact O-N 3.5Å; K169-S173 PolarHBondContact O-OG 2.99Å; T170-S173 PolarHBondContact O-N 3.31Å; T170-S173 PolarHBondContact O-OG 2.93Å; S173-G248 PolarHBondContact OG-N 3.48Å
174D97.4Very high98.1Very high28 Ų2858.2 Ų58.215%0.1532%0.316CS..Hα-helixtrans-136.8-3.3-168.1-72.5-84.4000113.6T170 G178 R181 S247 G248 K252T170-D174 PolarHBondContact O-N 3.08Å; D174-G178 VanDerWaalsContact CB-CA 3.45Å; D174-R181 IonicContact OD1-CZ 3.66Å; D174-R181 IonicContact OD1-NE 3.51Å; D174-R181 IonicContact OD1-NH2 3.96Å; D174-R181 PolarHBondContact OD1-NH2 2.83Å; D174-S247 WeakPolarHBondContact OD2-CA 3.46Å; D174-S247 VanDerWaalsContact OD2-CB 3.28Å; D174-S247 WeakPolarHBondContact OD2-CB 3.42Å; D174-G248 PolarHBondContact OD2-N 3.35Å; D174-K252 WeakPolarHBondContact OD1-CE 3.44Å; D174-K252 IonicContact OD1-NZ 2.63Å; D174-K252 PolarHBondContact OD1-NZ 2.83Å; D174-K252 IonicContact OD2-NZ 3.83Å
175G97.8Very high98.1Very high29 Ų2953.5 Ų53.530%0.29929%0.286SS..THydrogen-bonded Turntrans60.5-159.3-169.400000112.6T170 F171 A177 G178T170-G175 PolarHBondContact O-N 3.33Å; F171-G175 VanDerWaalsContact O-CA 3.28Å; F171-G175 WeakPolarHBondContact O-CA 3.34Å; F171-G175 PolarHBondContact O-N 3.43Å; G175-A177 VanDerWaalsContact C-N 3.28Å; G175-A177 PolarHBondContact O-N 2.9Å; G175-G178 PolarHBondContact O-N 3.46Å
176I97.5Very high98.1Very high113 Ų11352.1 Ų52.158%0.57928%0.279SS*.G310 helixtrans-62.8-34.4-178.2-166.6164.7000112.6F171 G178 L179 Y180F171-I176 HydrophobicContact CE1-CB 4.08Å; F171-I176 HydrophobicContact CE1-CG1 4.29Å; I176-G178 PolarHBondContact O-N 3.35Å; I176-G178 VanDerWaalsContact O-N 3.16Å; I176-L179 WeakPolarHBondContact O-CB 3.49Å; I176-L179 PolarHBondContact O-N 2.9Å; I176-Y180 HydrophobicContact CG1-CD2 4.41Å; I176-Y180 HydrophobicContact CG1-CE2 4.13Å; I176-Y180 WeakPolarHBondContact O-CD2 3.37Å
177A96.8Very high98Very high68 Ų6853.2 Ų53.256%0.56229%0.287SS*.G310 helixtrans-58.9-29.7178.600000112.3G175 L179 Y180G175-A177 VanDerWaalsContact C-N 3.28Å; G175-A177 PolarHBondContact O-N 2.9Å; A177-L179 VanDerWaalsContact C-N 3.26Å; A177-L179 PolarHBondContact O-N 3.43Å; A177-Y180 PolarHBondContact O-N 2.88Å; A177-Y180 VanDerWaalsContact O-N 3.15Å
178G97.7Very high98Very high0 Ų054.2 Ų54.20%030%0.298CS..G310 helixtrans-60.2-31.1174.900000114.4Y140 D174 G175 I176 Y180 S247Y140-G178 WeakPolarHBondContact CE2-O 3.39Å; D174-G178 VanDerWaalsContact CB-CA 3.45Å; G175-G178 PolarHBondContact O-N 3.46Å; I176-G178 PolarHBondContact O-N 3.35Å; I176-G178 VanDerWaalsContact O-N 3.16Å; G178-Y180 VanDerWaalsContact C-N 3.31Å; G178-S247 WeakPolarHBondContact CA-OG 3.41Å; G178-S247 PolarHBondContact O-OG 3.28Å
179L98.3Very high97.9Very high5 Ų552 Ų523%0.02628%0.281CS..G310 helixtrans-77.4-18.3178.9-61.2173.2000112.7Y136 Y140 Y167 T170 F171 I176 A177Y136-L179 VanDerWaalsContact CD1-O 3.26Å; Y136-L179 WeakPolarHBondContact CD1-O 3.29Å; Y136-L179 WeakPolarHBondContact CE1-O 3.4Å; Y140-L179 WeakPolarHBondContact CB-O 3.06Å; Y140-L179 HydrophobicContact CD1-CD2 3.63Å; Y140-L179 HydrophobicContact CE1-CD2 3.65Å; Y167-L179 HydrophobicContact CD1-CD1 3.79Å; Y167-L179 HydrophobicContact CD1-CD2 3.71Å; Y167-L179 HydrophobicContact CD1-CG 4.43Å; Y167-L179 HydrophobicContact CE1-CD1 3.94Å; Y167-L179 HydrophobicContact CE1-CD2 3.94Å; T170-L179 HydrophobicContact CG2-CD2 3.69Å; T170-L179 HydrophobicContact CG2-CG 4.04Å; F171-L179 HydrophobicContact CD1-CD1 4.49Å; F171-L179 HydrophobicContact CE1-CD1 3.73Å; F171-L179 HydrophobicContact CE2-CD1 3.99Å; F171-L179 HydrophobicContact CZ-CD1 3.43Å; F171-L179 VanDerWaalsContact CZ-CD1 3.43Å; I176-L179 WeakPolarHBondContact O-CB 3.49Å; I176-L179 PolarHBondContact O-N 2.9Å; A177-L179 VanDerWaalsContact C-N 3.26Å; A177-L179 PolarHBondContact O-N 3.43Å
180Y98.3Very high97.8Very high72 Ų7250 Ų5028%0.28227%0.273SS..G310 helixtrans-108.215.7-174.7-70.6-95.1000113.2V133 Y136 I176 A177 G178 G182 F183V133-Y180 WeakPolarHBondContact O-CE1 3.22Å; V133-Y180 PolarHBondContact O-OH 2.81Å; Y136-Y180 HydrophobicContact CD1-CD1 4.01Å; Y136-Y180 HydrophobicContact CD1-CG 4.37Å; Y136-Y180 HydrophobicContact CG-CD1 4.33Å; I176-Y180 HydrophobicContact CG1-CD2 4.41Å; I176-Y180 HydrophobicContact CG1-CE2 4.13Å; I176-Y180 WeakPolarHBondContact O-CD2 3.37Å; A177-Y180 PolarHBondContact O-N 2.88Å; A177-Y180 VanDerWaalsContact O-N 3.15Å; G178-Y180 VanDerWaalsContact C-N 3.31Å; Y180-G182 PolarHBondContact O-N 3.41Å; Y180-G182 VanDerWaalsContact O-N 3.14Å; Y180-F183 HydrophobicContact CD1-CB 4.35Å; Y180-F183 AromaticContact CD1-CD2 3.79Å; Y180-F183 HydrophobicContact CD1-CD2 3.79Å; Y180-F183 HydrophobicContact CD1-CE2 4.37Å; Y180-F183 HydrophobicContact CD1-CG 4.19Å; Y180-F183 HydrophobicContact CE1-CD2 4.36Å; Y180-F183 WeakPolarHBondContact O-CB 3.42Å; Y180-F183 PolarHBondContact O-N 3.46Å
181R98.3Very high97.7Very high53 Ų5353.6 Ų53.620%0.229%0.291CS..THydrogen-bonded Turntrans-61.8118.1174.5-71.2-162.8-177.3-85-12.2111.2Y136 D174 M243 M244 T246 S247 K252Y136-R181 PolarHBondContact OH-O 3.13Å; D174-R181 IonicContact OD1-CZ 3.66Å; D174-R181 IonicContact OD1-NE 3.51Å; D174-R181 IonicContact OD1-NH2 3.96Å; D174-R181 PolarHBondContact OD1-NH2 2.83Å; R181-M243 WeakPolarHBondContact CB-O 3.35Å; R181-M244 VanDerWaalsContact O-CG 3.3Å; R181-M244 WeakPolarHBondContact O-CG 3.47Å; R181-T246 WeakPolarHBondContact CD-OG1 3.45Å; R181-S247 WeakPolarHBondContact CD-OG 3.37Å; R181-S247 PolarHBondContact NE-OG 2.9Å; R181-S247 VanDerWaalsContact NE-OG 3.11Å; R181-K252 VanDerWaalsContact NH2-CD 3.27Å; R181-K252 VanDerWaalsContact NH2-CE 3.29Å
182G98.2Very high97.6Very high5 Ų550.7 Ų50.75%0.05228%0.282CS..THydrogen-bonded Turntrans92.16.9-175.900000114.1Y136 Y180 I185 S186Y136-G182 VanDerWaalsContact OH-CA 3.28Å; Y136-G182 WeakPolarHBondContact OH-CA 3.26Å; Y136-G182 PolarHBondContact OH-O 3Å; Y180-G182 PolarHBondContact O-N 3.41Å; Y180-G182 VanDerWaalsContact O-N 3.14Å; G182-I185 WeakPolarHBondContact O-CG2 3.28Å; G182-S186 PolarHBondContact O-N 3.48Å; G182-S186 VanDerWaalsContact O-N 3.13Å; G182-S186 PolarHBondContact O-OG 2.92Å
183F98.2Very high97.6Very high50 Ų5044.9 Ų44.922%0.21926%0.255CS..Hα-helixtrans-58.3-51-177.6175.9-96.1000112.3L132 V133 Y136 Y180 I185 S186 C187L132-F183 HydrophobicContact CB-CD2 4.19Å; L132-F183 HydrophobicContact CB-CE2 3.58Å; L132-F183 HydrophobicContact CB-CZ 4.45Å; V133-F183 HydrophobicContact CG2-CE2 4.42Å; V133-F183 HydrophobicContact CG2-CZ 4Å; Y136-F183 HydrophobicContact CD1-CD2 4.45Å; Y136-F183 AromaticContact CD2-CD2 3.97Å; Y136-F183 HydrophobicContact CD2-CD2 3.97Å; Y136-F183 HydrophobicContact CE1-CB 4.29Å; Y136-F183 HydrophobicContact CE2-CB 4.45Å; Y136-F183 HydrophobicContact CE2-CD2 4.44Å; Y136-F183 AromaticContact CG-CD2 3.96Å; Y136-F183 HydrophobicContact CG-CD2 3.96Å; Y136-F183 PolarHBondContact OH-N 3.28Å; Y136-F183 VanDerWaalsContact OH-N 3.14Å; Y180-F183 HydrophobicContact CD1-CB 4.35Å; Y180-F183 AromaticContact CD1-CD2 3.79Å; Y180-F183 HydrophobicContact CD1-CD2 3.79Å; Y180-F183 HydrophobicContact CD1-CE2 4.37Å; Y180-F183 HydrophobicContact CD1-CG 4.19Å; Y180-F183 HydrophobicContact CE1-CD2 4.36Å; Y180-F183 WeakPolarHBondContact O-CB 3.42Å; Y180-F183 PolarHBondContact O-N 3.46Å; F183-I185 PolarHBondContact O-N 2.9Å; F183-S186 WeakPolarHBondContact O-CA 3.48Å; F183-S186 WeakPolarHBondContact O-CB 3.39Å; F183-S186 PolarHBondContact O-N 3.28Å; F183-C187 PolarHBondContact O-N 3.49Å; F183-C187 VanDerWaalsContact O-N 3.1Å
184V97.5Very high97.5Very high106 Ų10645.6 Ų45.664%0.64225%0.249SC*.Hα-helixtrans-57.8-49.5-177.31780000111.9S186 C187 V188V184-S186 PolarHBondContact O-N 3.47Å; V184-C187 WeakPolarHBondContact O-CB 3.4Å; V184-C187 PolarHBondContact O-N 2.91Å; V184-C187 VanDerWaalsContact O-N 3.09Å; V184-V188 PolarHBondContact O-N 3.47Å; V184-V188 VanDerWaalsContact O-N 3.12Å
185I98.1Very high97.5Very high21 Ų2145.1 Ų45.111%0.10825%0.251CS..Hα-helixtrans-66.3-22.3178.2-16955.3000112.5G182 F183 V188 G189 I236 I239 R240 M243 S256G182-I185 WeakPolarHBondContact O-CG2 3.28Å; F183-I185 PolarHBondContact O-N 2.9Å; I185-V188 HydrophobicContact CD1-CB 4.28Å; I185-V188 HydrophobicContact CD1-CG1 4.4Å; I185-G189 PolarHBondContact O-N 3.08Å; I185-I236 HydrophobicContact CD1-CG1 4.32Å; I185-I236 HydrophobicContact CD1-CG2 4.07Å; I185-I236 HydrophobicContact CG1-CG2 3.93Å; I185-I236 VanDerWaalsContact O-CG2 3.25Å; I185-I236 WeakPolarHBondContact O-CG2 3.39Å; I185-I239 HydrophobicContact CG1-CG2 4.11Å; I185-I239 HydrophobicContact CG2-CG2 4.43Å; I185-R240 HydrophobicContact CG2-CB 4.19Å; I185-M243 HydrophobicContact CG2-SD 4.11Å; I185-S256 VanDerWaalsContact CB-OG 3.26Å; I185-S256 WeakPolarHBondContact CB-OG 3.46Å; I185-S256 WeakPolarHBondContact CG2-OG 3.28Å
186S98.1Very high97.4Very high5 Ų547.9 Ų47.94%0.03526%0.255CS..Hα-helixtrans-71.9-39.1172.5-51.30000111.8Y136 G182 F183 V184 G189 I190 R240Y136-S186 VanDerWaalsContact CE2-OG 3.25Å; Y136-S186 WeakPolarHBondContact CE2-OG 3.42Å; Y136-S186 PolarHBondContact OH-OG 3.13Å; G182-S186 PolarHBondContact O-N 3.48Å; G182-S186 VanDerWaalsContact O-N 3.13Å; G182-S186 PolarHBondContact O-OG 2.92Å; F183-S186 WeakPolarHBondContact O-CA 3.48Å; F183-S186 WeakPolarHBondContact O-CB 3.39Å; F183-S186 PolarHBondContact O-N 3.28Å; V184-S186 PolarHBondContact O-N 3.47Å; S186-G189 PolarHBondContact O-N 3.02Å; S186-I190 WeakPolarHBondContact O-CG1 3.27Å; S186-I190 PolarHBondContact O-N 3.22Å; S186-R240 WeakPolarHBondContact OG-CD 3.34Å; S186-R240 VanDerWaalsContact OG-CG 3.23Å; S186-R240 WeakPolarHBondContact OG-CG 3.37Å; S186-R240 PolarHBondContact OG-NE 3.2Å
187C97.6Very high97.4Very high24 Ų2444.1 Ų44.116%0.16223%0.233CC..Hα-helixtrans-62.2-44.8172.8-61.20000111.1A129 F183 V184 G189 I190 I191A129-C187 HydrophobicContact CB-CB 4.22Å; F183-C187 PolarHBondContact O-N 3.49Å; F183-C187 VanDerWaalsContact O-N 3.1Å; V184-C187 WeakPolarHBondContact O-CB 3.4Å; V184-C187 PolarHBondContact O-N 2.91Å; V184-C187 VanDerWaalsContact O-N 3.09Å; C187-G189 VanDerWaalsContact C-N 3.33Å; C187-G189 PolarHBondContact O-N 3.43Å; C187-I190 PolarHBondContact O-N 3.36Å; C187-I191 PolarHBondContact O-N 3.09Å
188V97.3Very high97.3Very high66 Ų6643.8 Ų43.840%0.422%0.219SC..Hα-helixtrans-58.9-45.9173.2176.20000110.7V184 I185 I190 I191 V192V184-V188 PolarHBondContact O-N 3.47Å; V184-V188 VanDerWaalsContact O-N 3.12Å; I185-V188 HydrophobicContact CD1-CB 4.28Å; I185-V188 HydrophobicContact CD1-CG1 4.4Å; V188-I190 VanDerWaalsContact C-N 3.27Å; V188-I190 PolarHBondContact O-N 3.43Å; V188-I191 PolarHBondContact O-N 3.35Å; V188-I191 VanDerWaalsContact O-N 3.08Å; V188-V192 HydrophobicContact CG1-CG2 4.12Å; V188-V192 WeakPolarHBondContact O-CG2 3.43Å; V188-V192 PolarHBondContact O-N 2.74Å
189G97.9Very high97.1Very high11 Ų1144.6 Ų44.611%0.11323%0.228CC..Hα-helixtrans-57.7-36.9178.400000114I185 S186 C187 Y193I185-G189 PolarHBondContact O-N 3.08Å; S186-G189 PolarHBondContact O-N 3.02Å; C187-G189 VanDerWaalsContact C-N 3.33Å; C187-G189 PolarHBondContact O-N 3.43Å; G189-Y193 VanDerWaalsContact O-CB 3.25Å; G189-Y193 WeakPolarHBondContact O-CB 3.18Å; G189-Y193 PolarHBondContact O-N 3.43Å
190I96.2Very high97.1Very high36 Ų3646.6 Ų46.619%0.18524%0.239CC..Hα-helixtrans-63.8-45.1175.4-68164000110.8L132 S186 C187 V188 R194L132-I190 HydrophobicContact CD1-CD1 3.66Å; L132-I190 HydrophobicContact CG-CD1 4.09Å; S186-I190 WeakPolarHBondContact O-CG1 3.27Å; S186-I190 PolarHBondContact O-N 3.22Å; C187-I190 PolarHBondContact O-N 3.36Å; V188-I190 VanDerWaalsContact C-N 3.27Å; V188-I190 PolarHBondContact O-N 3.43Å; I190-R194 VanDerWaalsContact O-CB 3.27Å; I190-R194 WeakPolarHBondContact O-CB 3.44Å; I190-R194 WeakPolarHBondContact O-CG 3.25Å; I190-R194 PolarHBondContact O-N 2.89Å
191I96.2Very high96.9Very high79 Ų7946 Ų4641%0.40524%0.236SC..Hα-helixtrans-64.3-48.3179.6-65.6171.3000109.9V121 C187 V188 R194 G195V121-I191 HydrophobicContact CG1-CG2 3.94Å; C187-I191 PolarHBondContact O-N 3.09Å; V188-I191 PolarHBondContact O-N 3.35Å; V188-I191 VanDerWaalsContact O-N 3.08Å; I191-R194 PolarHBondContact O-N 3.31Å; I191-G195 PolarHBondContact O-N 3.49Å
192V97.2Very high96.6Very high42 Ų4246.2 Ų46.226%0.25524%0.241SC..Hα-helixtrans-60.6-52.1179.6173.70000110.9V188 R194 G195 F196 I236V188-V192 HydrophobicContact CG1-CG2 4.12Å; V188-V192 WeakPolarHBondContact O-CG2 3.43Å; V188-V192 PolarHBondContact O-N 2.74Å; V192-R194 VanDerWaalsContact C-N 3.31Å; V192-R194 PolarHBondContact O-N 2.92Å; V192-G195 PolarHBondContact O-N 2.97Å; V192-F196 HydrophobicContact CG1-CD2 3.84Å; V192-F196 HydrophobicContact CG1-CE2 3.84Å; V192-F196 VanDerWaalsContact O-CD2 3.27Å; V192-F196 WeakPolarHBondContact O-CD2 3.41Å; V192-F196 PolarHBondContact O-N 2.84Å; V192-F196 VanDerWaalsContact O-N 3.07Å; V192-I236 HydrophobicContact CB-CD1 3.92Å; V192-I236 HydrophobicContact CG1-CD1 3.97Å; V192-I236 HydrophobicContact CG2-CD1 3.8Å
193Y97.6Very high96.4Very high71 Ų7149.9 Ų49.928%0.27826%0.263SS..Hα-helixtrans-56.7-46.1177.8174.1-91.7000111.5G189 Y197G189-Y193 VanDerWaalsContact O-CB 3.25Å; G189-Y193 WeakPolarHBondContact O-CB 3.18Å; G189-Y193 PolarHBondContact O-N 3.43Å; Y193-Y197 HydrophobicContact CE1-CD2 4.37Å; Y193-Y197 HydrophobicContact CE1-CG 4.49Å; Y193-Y197 VanDerWaalsContact O-CB 3.22Å; Y193-Y197 WeakPolarHBondContact O-CB 3.36Å; Y193-Y197 PolarHBondContact O-N 3.29Å
194R95.2Very high96.2Very high73 Ų7349.9 Ų49.928%0.27527%0.265SS..Hα-helixtrans-67.6-40.4-179.4-80.1-174156.5133-15.6113.1V121 G124 I190 I191 V192 Y197 F198V121-R194 HydrophobicContact CG1-CB 4.46Å; G124-R194 VanDerWaalsContact CA-CZ 3.4Å; G124-R194 PolarHBondContact O-NH1 3.45Å; I190-R194 VanDerWaalsContact O-CB 3.27Å; I190-R194 WeakPolarHBondContact O-CB 3.44Å; I190-R194 WeakPolarHBondContact O-CG 3.25Å; I190-R194 PolarHBondContact O-N 2.89Å; I191-R194 PolarHBondContact O-N 3.31Å; V192-R194 VanDerWaalsContact C-N 3.31Å; V192-R194 PolarHBondContact O-N 2.92Å; R194-Y197 PolarHBondContact O-N 3.37Å; R194-F198 HydrophobicContact CB-CD2 4.29Å; R194-F198 HydrophobicContact CB-CE2 4.39Å; R194-F198 HydrophobicContact CG-CE2 4.42Å; R194-F198 VanDerWaalsContact O-CD2 3.28Å; R194-F198 WeakPolarHBondContact O-CD2 3.29Å; R194-F198 PolarHBondContact O-N 3.41Å
195G96.5Very high96Very high18 Ų1849.3 Ų49.319%0.18625%0.254CS..Hα-helixtrans-57.6-51.4175.700000110.9F117 I191 V192 Y197 G199F117-G195 WeakPolarHBondContact CZ-O 3.26Å; I191-G195 PolarHBondContact O-N 3.49Å; V192-G195 PolarHBondContact O-N 2.97Å; G195-Y197 PolarHBondContact O-N 3.26Å; G195-G199 PolarHBondContact O-N 3.02Å
196F97.4Very high95.6Very high87 Ų8753 Ų5338%0.38228%0.279SS..Hα-helixtrans-64.3-40.1175.7-76.9-68.8000112.6V192 L200 S229 I232V192-F196 HydrophobicContact CG1-CD2 3.84Å; V192-F196 HydrophobicContact CG1-CE2 3.84Å; V192-F196 VanDerWaalsContact O-CD2 3.27Å; V192-F196 WeakPolarHBondContact O-CD2 3.41Å; V192-F196 PolarHBondContact O-N 2.84Å; V192-F196 VanDerWaalsContact O-N 3.07Å; F196-L200 WeakPolarHBondContact O-CB 2.87Å; F196-L200 WeakPolarHBondContact O-CD1 3.27Å; F196-L200 WeakPolarHBondContact O-CG 3.35Å; F196-L200 PolarHBondContact O-N 2.95Å; F196-S229 VanDerWaalsContact C-OG 3.26Å; F196-S229 PolarHBondContact O-OG 2.91Å; F196-I232 HydrophobicContact CD1-CD1 3.68Å; F196-I232 HydrophobicContact CD1-CG2 4.35Å; F196-I232 HydrophobicContact CD2-CB 4.25Å; F196-I232 HydrophobicContact CD2-CG2 3.54Å; F196-I232 HydrophobicContact CE1-CD1 3.97Å; F196-I232 HydrophobicContact CE1-CG2 4.13Å; F196-I232 HydrophobicContact CE2-CB 4.42Å; F196-I232 HydrophobicContact CE2-CG2 3.28Å; F196-I232 HydrophobicContact CG-CB 4.47Å; F196-I232 HydrophobicContact CG-CD1 4.01Å; F196-I232 HydrophobicContact CG-CG2 4.09Å; F196-I232 HydrophobicContact CZ-CG2 3.61Å
197Y97Very high95.3Very high34 Ų3458.3 Ų58.313%0.13331%0.306CS..Hα-helixtrans-62.1-54.9-179.1-179.2-86.4000111.6Y193 R194 G195 Y201 V225 S229Y193-Y197 HydrophobicContact CE1-CD2 4.37Å; Y193-Y197 HydrophobicContact CE1-CG 4.49Å; Y193-Y197 VanDerWaalsContact O-CB 3.22Å; Y193-Y197 WeakPolarHBondContact O-CB 3.36Å; Y193-Y197 PolarHBondContact O-N 3.29Å; R194-Y197 PolarHBondContact O-N 3.37Å; G195-Y197 PolarHBondContact O-N 3.26Å; Y197-Y201 WeakPolarHBondContact O-CB 3.48Å; Y197-Y201 PolarHBondContact O-N 2.97Å; Y197-V225 HydrophobicContact CD2-CG1 3.77Å; Y197-V225 HydrophobicContact CE2-CG1 4.09Å; Y197-V225 HydrophobicContact CG-CG1 4.19Å; Y197-V225 VanDerWaalsContact O-CG1 3.32Å; Y197-V225 WeakPolarHBondContact O-CG1 3.49Å; Y197-S229 WeakPolarHBondContact CA-OG 3.45Å; Y197-S229 PolarHBondContact N-OG 3.24Å; Y197-S229 VanDerWaalsContact N-OG 3.1Å
198F94.4Very high94.9Very high61 Ų6163.3 Ų63.327%0.26833%0.325SS..Hα-helixtrans-67.9-41.3-179.9-72.8-63.9000111.2F117 V121 R194 L200 Y201 D202F117-F198 HydrophobicContact CD2-CB 4.29Å; F117-F198 HydrophobicContact CE2-CB 3.7Å; V121-F198 HydrophobicContact CG2-CD2 4.4Å; R194-F198 HydrophobicContact CB-CD2 4.29Å; R194-F198 HydrophobicContact CB-CE2 4.39Å; R194-F198 HydrophobicContact CG-CE2 4.42Å; R194-F198 VanDerWaalsContact O-CD2 3.28Å; R194-F198 WeakPolarHBondContact O-CD2 3.29Å; R194-F198 PolarHBondContact O-N 3.41Å; F198-L200 PolarHBondContact O-N 2.9Å; F198-Y201 PolarHBondContact O-N 3.26Å; F198-D202 VanDerWaalsContact O-CB 3.25Å; F198-D202 WeakPolarHBondContact O-CB 3.19Å; F198-D202 PolarHBondContact O-N 3.24Å
199G94.6Very high94.6Very high18 Ų1861 Ų6119%0.18631%0.31CS..Hα-helixtrans-63.7-44.3-177.200000112G195 T203G195-G199 PolarHBondContact O-N 3.02Å; G199-T203 VanDerWaalsContact O-CB 3.25Å; G199-T203 WeakPolarHBondContact O-CB 3.32Å; G199-T203 PolarHBondContact O-N 2.87Å; G199-T203 PolarHBondContact O-OG1 2.95Å
200L96.4Very high93.9Very high47 Ų4762.7 Ų62.725%0.24633%0.328CS..Hα-helixtrans-67.9-44.4174.2-68.8171.5000111.4F196 F198 T203 L204 V225 T228F196-L200 WeakPolarHBondContact O-CB 2.87Å; F196-L200 WeakPolarHBondContact O-CD1 3.27Å; F196-L200 WeakPolarHBondContact O-CG 3.35Å; F196-L200 PolarHBondContact O-N 2.95Å; F198-L200 PolarHBondContact O-N 2.9Å; L200-T203 PolarHBondContact O-N 3.03Å; L200-L204 HydrophobicContact CB-CD1 4.24Å; L200-L204 WeakPolarHBondContact O-CB 3.19Å; L200-L204 WeakPolarHBondContact O-CD1 3.28Å; L200-L204 WeakPolarHBondContact O-CG 3.49Å; L200-L204 PolarHBondContact O-N 2.95Å; L200-V225 HydrophobicContact CB-CG1 3.98Å; L200-V225 HydrophobicContact CB-CG2 4.13Å; L200-T228 HydrophobicContact CD1-CG2 3.73Å
201Y94.5Very high93.2Very high58 Ų5867.5 Ų67.523%0.22736%0.361CS..Hα-helixtrans-63.4-47-178.7-167.6-98.8000112Y197 F198 T203 L204 K205 L221 V225Y197-Y201 WeakPolarHBondContact O-CB 3.48Å; Y197-Y201 PolarHBondContact O-N 2.97Å; F198-Y201 PolarHBondContact O-N 3.26Å; Y201-T203 VanDerWaalsContact C-N 3.28Å; Y201-T203 PolarHBondContact O-N 3.12Å; Y201-L204 PolarHBondContact O-N 3.13Å; Y201-K205 HydrophobicContact CD1-CB 4.49Å; Y201-K205 HydrophobicContact CD1-CD 4.34Å; Y201-K205 HydrophobicContact CE1-CB 4.36Å; Y201-K205 HydrophobicContact CE1-CD 3.57Å; Y201-K205 WeakPolarHBondContact O-CB 3.25Å; Y201-K205 PolarHBondContact O-N 2.97Å; Y201-L221 HydrophobicContact CE2-CD2 4.38Å; Y201-V225 HydrophobicContact CD2-CG2 4.38Å
202D92.1Very high92.6Very high58 Ų5871.3 Ų71.331%0.3138%0.383SS..Hα-helixtrans-67.7-30.1-178.4-66.7-14.7000111.7Y113 F198 P206Y113-D202 HydrophobicContact CE2-CB 4.47Å; F198-D202 VanDerWaalsContact O-CB 3.25Å; F198-D202 WeakPolarHBondContact O-CB 3.19Å; F198-D202 PolarHBondContact O-N 3.24Å; D202-P206 WeakPolarHBondContact O-CD 3.21Å; D202-P206 WeakPolarHBondContact O-CG 3.32Å
203T93.5Very high92Very high82 Ų8270.8 Ų70.850%0.50338%0.383SS..Hα-helixtrans-77.8-45.9176.2-59.80000111.9G199 L200 Y201 I207G199-T203 VanDerWaalsContact O-CB 3.25Å; G199-T203 WeakPolarHBondContact O-CB 3.32Å; G199-T203 PolarHBondContact O-N 2.87Å; G199-T203 PolarHBondContact O-OG1 2.95Å; L200-T203 PolarHBondContact O-N 3.03Å; Y201-T203 VanDerWaalsContact C-N 3.28Å; Y201-T203 PolarHBondContact O-N 3.12Å; T203-I207 HydrophobicContact CG2-CD1 4.48Å; T203-I207 VanDerWaalsContact O-CD1 3.25Å; T203-I207 WeakPolarHBondContact O-CD1 2.95Å; T203-I207 WeakPolarHBondContact O-CG1 3.39Å
204L94.3Very high91.5Very high50 Ų5069.3 Ų69.326%0.26239%0.389SS..Hα-helixtrans-83.8-31-171.9-62.4170.6000112.1L200 Y201 I207 F208 L221 V225L200-L204 HydrophobicContact CB-CD1 4.24Å; L200-L204 WeakPolarHBondContact O-CB 3.19Å; L200-L204 WeakPolarHBondContact O-CD1 3.28Å; L200-L204 WeakPolarHBondContact O-CG 3.49Å; L200-L204 PolarHBondContact O-N 2.95Å; Y201-L204 PolarHBondContact O-N 3.13Å; L204-I207 PolarHBondContact O-N 3.29Å; L204-I207 VanDerWaalsContact O-N 3.16Å; L204-F208 HydrophobicContact CB-CD2 4.02Å; L204-F208 HydrophobicContact CB-CE2 4.35Å; L204-F208 HydrophobicContact CD2-CD2 4.27Å; L204-F208 HydrophobicContact CD2-CE2 3.72Å; L204-F208 VanDerWaalsContact O-CD2 3.26Å; L204-F208 WeakPolarHBondContact O-CD2 3.5Å; L204-F208 PolarHBondContact O-N 3.37Å; L204-L221 HydrophobicContact CB-CD1 3.68Å; L204-L221 HydrophobicContact CD1-CD1 4.2Å; L204-V225 HydrophobicContact CD1-CG2 4.03Å
205K93.4Very high91.1Very high94 Ų9472.1 Ų72.141%0.40941%0.414SS..Hα-helixtrans-57.1-50.8-178.8168.8174.3179.4-171.30112.6Y201 I207 F208 L209 L221Y201-K205 HydrophobicContact CD1-CB 4.49Å; Y201-K205 HydrophobicContact CD1-CD 4.34Å; Y201-K205 HydrophobicContact CE1-CB 4.36Å; Y201-K205 HydrophobicContact CE1-CD 3.57Å; Y201-K205 WeakPolarHBondContact O-CB 3.25Å; Y201-K205 PolarHBondContact O-N 2.97Å; K205-I207 PolarHBondContact O-N 3.27Å; K205-F208 PolarHBondContact O-N 3.26Å; K205-L209 HydrophobicContact CG-CB 4.24Å; K205-L209 HydrophobicContact CG-CD1 4.1Å; K205-L209 HydrophobicContact CG-CG 4.46Å; K205-L209 WeakPolarHBondContact O-CA 3.33Å; K205-L209 WeakPolarHBondContact O-CB 3.25Å; K205-L209 PolarHBondContact O-N 2.94Å; K205-L221 HydrophobicContact CB-CD2 3.99Å
206P90.8Very high90.7Very high98 Ų9874.6 Ų74.664%0.63643%0.433SS*.Hα-helixtrans-64.6-24.7179-22.134.3000113.9D202D202-P206 WeakPolarHBondContact O-CD 3.21Å; D202-P206 WeakPolarHBondContact O-CG 3.32Å
207I91.4Very high90.4Very high117 Ų11775.1 Ų75.160%0.644%0.439SS*.Hα-helixtrans-78.8-42.7180-60.2172.1000110.9T203 L204 K205T203-I207 HydrophobicContact CG2-CD1 4.48Å; T203-I207 VanDerWaalsContact O-CD1 3.25Å; T203-I207 WeakPolarHBondContact O-CD1 2.95Å; T203-I207 WeakPolarHBondContact O-CG1 3.39Å; L204-I207 PolarHBondContact O-N 3.29Å; L204-I207 VanDerWaalsContact O-N 3.16Å; K205-I207 PolarHBondContact O-N 3.27Å
208F89.5Confident90Very high129 Ų12975.4 Ų75.457%0.56645%0.446SS*.Hα-helixtrans-105-23.2-170.7-67.7-72.7000114.6L204 K205L204-F208 HydrophobicContact CB-CD2 4.02Å; L204-F208 HydrophobicContact CB-CE2 4.35Å; L204-F208 HydrophobicContact CD2-CD2 4.27Å; L204-F208 HydrophobicContact CD2-CE2 3.72Å; L204-F208 VanDerWaalsContact O-CD2 3.26Å; L204-F208 WeakPolarHBondContact O-CD2 3.5Å; L204-F208 PolarHBondContact O-N 3.37Å; K205-F208 PolarHBondContact O-N 3.26Å
209L89.4Confident89.8Confident17 Ų1778.1 Ų78.19%0.08946%0.458CS..  trans-114.9104.3-177.6-52-174.5000109.9K205 A213 I217 L221K205-L209 HydrophobicContact CG-CB 4.24Å; K205-L209 HydrophobicContact CG-CD1 4.1Å; K205-L209 HydrophobicContact CG-CG 4.46Å; K205-L209 WeakPolarHBondContact O-CA 3.33Å; K205-L209 WeakPolarHBondContact O-CB 3.25Å; K205-L209 PolarHBondContact O-N 2.94Å; L209-A213 HydrophobicContact CB-CB 3.72Å; L209-A213 HydrophobicContact CD2-CB 3.83Å; L209-A213 HydrophobicContact CG-CB 4.28Å; L209-I217 HydrophobicContact CD2-CB 4.17Å; L209-I217 HydrophobicContact CD2-CG2 3.49Å; L209-I217 VanDerWaalsContact CD2-CG2 3.49Å; L209-L221 HydrophobicContact CD1-CD2 3.58Å; L209-L221 HydrophobicContact CD2-CD2 4.38Å; L209-L221 HydrophobicContact CG-CD2 3.72Å
210G84.2Confident89.6Confident47 Ų4781.2 Ų81.249%0.48548%0.476SS..  trans-72.2179.4165.400000112.7D212 A213G210-D212 PolarHBondContact O-N 3.47Å; G210-A213 WeakPolarHBondContact O-CB 3.44Å; G210-A213 PolarHBondContact O-N 3.5Å
211P82.1Confident89.5Confident137 Ų13780 Ų8089%0.8947%0.469SS*.THydrogen-bonded Turntrans-54.2-36.7-179.4-26.234.8000114.1
212D83.7Confident89.4Confident159 Ų15977.9 Ų77.985%0.8547%0.465SS*.THydrogen-bonded Turntrans-102.622.7-176.4-56.2-52.6000113.3G210 G214G210-D212 PolarHBondContact O-N 3.47Å; D212-G214 PolarHBondContact O-N 3.3Å; D212-G214 VanDerWaalsContact O-N 3.11Å
213A84.8Confident89.4Confident31 Ų3177.8 Ų77.826%0.25646%0.461SS..  trans-58.8120.5-176.800000111.8L209 G210L209-A213 HydrophobicContact CB-CB 3.72Å; L209-A213 HydrophobicContact CD2-CB 3.83Å; L209-A213 HydrophobicContact CG-CB 4.28Å; G210-A213 WeakPolarHBondContact O-CB 3.44Å; G210-A213 PolarHBondContact O-N 3.5Å
214G87.3Confident89.4Confident40 Ų4075.5 Ų75.541%0.41245%0.453SS..  trans-58.7154.2-179.800000113.2D212 A216 I217 S218D212-G214 PolarHBondContact O-N 3.3Å; D212-G214 VanDerWaalsContact O-N 3.11Å; G214-A216 PolarHBondContact O-N 3.03Å; G214-I217 PolarHBondContact O-N 3.03Å; G214-I217 VanDerWaalsContact O-N 3.15Å; G214-S218 PolarHBondContact O-N 2.91Å; G214-S218 VanDerWaalsContact O-N 3.08Å; G214-S218 PolarHBondContact O-OG 3.15Å
215V86.4Confident89.5Confident132 Ų13273.2 Ų73.280%0.844%0.442SS*.Hα-helixtrans-54.4-38.2-179.1178.90000111.9F219V215-F219 WeakPolarHBondContact O-CB 3.48Å; V215-F219 PolarHBondContact O-N 2.75Å
216A88.3Confident89.6Confident71 Ų7171.2 Ų71.259%0.58744%0.437SS*.Hα-helixtrans-63.5-46.9179.400000112.7G214 F219 C220G214-A216 PolarHBondContact O-N 3.03Å; A216-F219 PolarHBondContact O-N 3.2Å; A216-C220 PolarHBondContact O-N 2.81Å; A216-C220 PolarHBondContact O-SG 3.21Å
217I90.4Very high89.9Confident97 Ų9768 Ų6850%0.49742%0.416SS..Hα-helixtrans-67.5-42.1-179.8-55.5178.4000109.9L209 G214 F219 C220 L221L209-I217 HydrophobicContact CD2-CB 4.17Å; L209-I217 HydrophobicContact CD2-CG2 3.49Å; L209-I217 VanDerWaalsContact CD2-CG2 3.49Å; G214-I217 PolarHBondContact O-N 3.03Å; G214-I217 VanDerWaalsContact O-N 3.15Å; I217-F219 VanDerWaalsContact C-N 3.3Å; I217-F219 PolarHBondContact O-N 2.8Å; I217-C220 PolarHBondContact O-N 3Å; I217-L221 PolarHBondContact O-N 2.6Å
218S89.1Confident90.1Very high40 Ų4065.4 Ų65.428%0.2841%0.405SS..Hα-helixtrans-59.9-40.2175-66.80000112.5G214 G222G214-S218 PolarHBondContact O-N 2.91Å; G214-S218 VanDerWaalsContact O-N 3.08Å; G214-S218 PolarHBondContact O-OG 3.15Å; S218-G222 PolarHBondContact O-N 3.43Å
219F88.7Confident90.5Very high119 Ų11959.3 Ų59.352%0.52238%0.378SS..Hα-helixtrans-65.4-47.5174.3177.2-92.2000111.7V215 A216 I217 L221 G222 Y223 A287V215-F219 WeakPolarHBondContact O-CB 3.48Å; V215-F219 PolarHBondContact O-N 2.75Å; A216-F219 PolarHBondContact O-N 3.2Å; I217-F219 VanDerWaalsContact C-N 3.3Å; I217-F219 PolarHBondContact O-N 2.8Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 3.37Å; F219-G222 PolarHBondContact O-N 2.9Å; F219-Y223 VanDerWaalsContact O-CB 3.28Å; F219-Y223 WeakPolarHBondContact O-CB 3.27Å; F219-Y223 PolarHBondContact O-N 3.14Å; F219-A287 HydrophobicContact CZ-CB 4.37Å
220C91.9Very high90.9Very high83 Ų8359 Ų5956%0.56138%0.38SS*.Hα-helixtrans-58.6-44.7178.3-72.40000111.8A216 I217 Y223 G224A216-C220 PolarHBondContact O-N 2.81Å; A216-C220 PolarHBondContact O-SG 3.21Å; I217-C220 PolarHBondContact O-N 3Å; C220-Y223 PolarHBondContact O-N 3.47Å; C220-G224 PolarHBondContact O-N 3.32Å
221L92.9Very high91.5Very high21 Ų2159.5 Ų59.511%0.1137%0.371CS..Hα-helixtrans-62.2-51.1175.3178.765.5000111.1Y201 L204 K205 L209 I217 F219 Y223 G224 V225Y201-L221 HydrophobicContact CE2-CD2 4.38Å; L204-L221 HydrophobicContact CB-CD1 3.68Å; L204-L221 HydrophobicContact CD1-CD1 4.2Å; K205-L221 HydrophobicContact CB-CD2 3.99Å; L209-L221 HydrophobicContact CD1-CD2 3.58Å; L209-L221 HydrophobicContact CD2-CD2 4.38Å; L209-L221 HydrophobicContact CG-CD2 3.72Å; I217-L221 PolarHBondContact O-N 2.6Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 3.37Å; L221-Y223 VanDerWaalsContact C-N 3.28Å; L221-Y223 PolarHBondContact O-N 2.98Å; L221-G224 PolarHBondContact O-N 3.41Å; L221-V225 HydrophobicContact CD1-CG2 4.21Å; L221-V225 WeakPolarHBondContact O-CG2 3.31Å; L221-V225 PolarHBondContact O-N 3.48Å
222G92.4Very high92.3Very high14 Ų1456.6 Ų56.614%0.14435%0.347CS..Hα-helixtrans-59.9-38.6-179.600000112.8S218 F219 T226S218-G222 PolarHBondContact O-N 3.43Å; F219-G222 PolarHBondContact O-N 2.9Å; G222-T226 WeakPolarHBondContact O-CB 3.34Å; G222-T226 PolarHBondContact O-N 3.44Å; G222-T226 PolarHBondContact O-OG1 2.86Å
223Y92.3Very high93Very high56 Ų5649.7 Ų49.722%0.2231%0.311CS..Hα-helixtrans-71-44.6176.6-170.7-103000111.8F219 C220 L221 V225 T226 V227 I280 V284F219-Y223 VanDerWaalsContact O-CB 3.28Å; F219-Y223 WeakPolarHBondContact O-CB 3.27Å; F219-Y223 PolarHBondContact O-N 3.14Å; C220-Y223 PolarHBondContact O-N 3.47Å; L221-Y223 VanDerWaalsContact C-N 3.28Å; L221-Y223 PolarHBondContact O-N 2.98Å; Y223-V225 PolarHBondContact O-N 2.82Å; Y223-T226 WeakPolarHBondContact O-CB 3.27Å; Y223-T226 PolarHBondContact O-N 3.26Å; Y223-T226 VanDerWaalsContact O-N 3.15Å; Y223-V227 HydrophobicContact CD1-CG2 4.05Å; Y223-V227 HydrophobicContact CE1-CG2 3.54Å; Y223-V227 HydrophobicContact CE2-CG2 4.26Å; Y223-V227 WeakPolarHBondContact O-CG2 3.47Å; Y223-V227 PolarHBondContact O-N 3.5Å; Y223-I280 PolarHBondContact OH-O 2.99Å; Y223-I280 VanDerWaalsContact OH-O 3.08Å; Y223-V284 HydrophobicContact CE1-CG2 4.16Å; Y223-V284 HydrophobicContact CE2-CG2 4.43Å; Y223-V284 WeakPolarHBondContact OH-CG2 3.42Å; Y223-V284 PolarHBondContact OH-N 3.23Å
224G94.7Very high93.6Very high33 Ų3348.4 Ų48.434%0.3430%0.3SS..Hα-helixtrans-57.4-47.3175.200000112.1C220 L221 T226 V227 T228C220-G224 PolarHBondContact O-N 3.32Å; L221-G224 PolarHBondContact O-N 3.41Å; G224-T226 PolarHBondContact O-N 3.26Å; G224-V227 PolarHBondContact O-N 2.86Å; G224-T228 WeakPolarHBondContact O-CB 3.25Å; G224-T228 PolarHBondContact O-N 3.43Å; G224-T228 PolarHBondContact O-OG1 3.49Å; G224-T228 VanDerWaalsContact O-OG1 3.05Å
225V96.2Very high94.1Very high3 Ų348.2 Ų48.22%0.01829%0.292CS..Hα-helixtrans-60-46173.8172.10000111.3Y197 L200 Y201 L204 L221 Y223 V227 T228 S229Y197-V225 HydrophobicContact CD2-CG1 3.77Å; Y197-V225 HydrophobicContact CE2-CG1 4.09Å; Y197-V225 HydrophobicContact CG-CG1 4.19Å; Y197-V225 VanDerWaalsContact O-CG1 3.32Å; Y197-V225 WeakPolarHBondContact O-CG1 3.49Å; L200-V225 HydrophobicContact CB-CG1 3.98Å; L200-V225 HydrophobicContact CB-CG2 4.13Å; Y201-V225 HydrophobicContact CD2-CG2 4.38Å; L204-V225 HydrophobicContact CD1-CG2 4.03Å; L221-V225 HydrophobicContact CD1-CG2 4.21Å; L221-V225 WeakPolarHBondContact O-CG2 3.31Å; L221-V225 PolarHBondContact O-N 3.48Å; Y223-V225 PolarHBondContact O-N 2.82Å; V225-V227 VanDerWaalsContact C-N 3.33Å; V225-V227 PolarHBondContact O-N 2.71Å; V225-T228 PolarHBondContact O-N 3.25Å; V225-S229 WeakPolarHBondContact O-CB 3.33Å; V225-S229 PolarHBondContact O-N 3.35Å; V225-S229 PolarHBondContact O-OG 3.29Å
226T94.9Very high94.7Very high51 Ų5143.4 Ų43.431%0.31326%0.261SS..Hα-helixtrans-56.8-45.5177.8-62.10000112G222 Y223 G224 G230G222-T226 WeakPolarHBondContact O-CB 3.34Å; G222-T226 PolarHBondContact O-N 3.44Å; G222-T226 PolarHBondContact O-OG1 2.86Å; Y223-T226 WeakPolarHBondContact O-CB 3.27Å; Y223-T226 PolarHBondContact O-N 3.26Å; Y223-T226 VanDerWaalsContact O-N 3.15Å; G224-T226 PolarHBondContact O-N 3.26Å; T226-G230 PolarHBondContact O-N 2.82Å
227V96.3Very high95.2Very high31 Ų3141.4 Ų41.419%0.18824%0.24CC..Hα-helixtrans-65.3-49.7178.7169.60000110.6Y223 G224 V225 G230 L231 I280Y223-V227 HydrophobicContact CD1-CG2 4.05Å; Y223-V227 HydrophobicContact CE1-CG2 3.54Å; Y223-V227 HydrophobicContact CE2-CG2 4.26Å; Y223-V227 WeakPolarHBondContact O-CG2 3.47Å; Y223-V227 PolarHBondContact O-N 3.5Å; G224-V227 PolarHBondContact O-N 2.86Å; V225-V227 VanDerWaalsContact C-N 3.33Å; V225-V227 PolarHBondContact O-N 2.71Å; V227-G230 CarbonylContact O-C 3.59Å; V227-G230 PolarHBondContact O-N 3.11Å; V227-L231 HydrophobicContact CG1-CD1 4.01Å; V227-L231 HydrophobicContact CG1-CG 4.42Å; V227-L231 WeakPolarHBondContact O-CG 3.1Å; V227-L231 PolarHBondContact O-N 3.47Å; V227-I280 HydrophobicContact CG1-CD1 3.84Å; V227-I280 HydrophobicContact CG1-CG1 3.99Å; V227-I280 HydrophobicContact CG2-CG2 4.18Å
228T97.4Very high95.6Very high63 Ų6336.8 Ų36.839%0.38722%0.217SC..Hα-helixtrans-62.3-49-178-59.70000111.9L200 G224 V225 G230 L231 I232L200-T228 HydrophobicContact CD1-CG2 3.73Å; G224-T228 WeakPolarHBondContact O-CB 3.25Å; G224-T228 PolarHBondContact O-N 3.43Å; G224-T228 PolarHBondContact O-OG1 3.49Å; G224-T228 VanDerWaalsContact O-OG1 3.05Å; V225-T228 PolarHBondContact O-N 3.25Å; T228-G230 VanDerWaalsContact C-N 3.28Å; T228-G230 PolarHBondContact O-N 3Å; T228-L231 PolarHBondContact O-N 2.95Å; T228-I232 HydrophobicContact CG2-CD1 4.01Å; T228-I232 WeakPolarHBondContact O-CG1 3.29Å; T228-I232 PolarHBondContact O-N 3.39Å
229S97.9Very high96Very high0 Ų035.5 Ų35.50%021%0.207CC..Hα-helixtrans-63.1-36.5175.7-51.70000112.1F196 Y197 V225 S233F196-S229 VanDerWaalsContact C-OG 3.26Å; F196-S229 PolarHBondContact O-OG 2.91Å; Y197-S229 WeakPolarHBondContact CA-OG 3.45Å; Y197-S229 PolarHBondContact N-OG 3.24Å; Y197-S229 VanDerWaalsContact N-OG 3.1Å; V225-S229 WeakPolarHBondContact O-CB 3.33Å; V225-S229 PolarHBondContact O-N 3.35Å; V225-S229 PolarHBondContact O-OG 3.29Å; S229-S233 WeakPolarHBondContact O-CB 3.34Å; S229-S233 PolarHBondContact O-N 3.22Å; S229-S233 PolarHBondContact O-OG 3.44Å
230G97Very high96.5Very high12 Ų1231.3 Ų31.312%0.12419%0.187CC..Hα-helixtrans-62.6-40.6174.600000112.7T226 V227 T228 S233 Y234T226-G230 PolarHBondContact O-N 2.82Å; V227-G230 CarbonylContact O-C 3.59Å; V227-G230 PolarHBondContact O-N 3.11Å; T228-G230 VanDerWaalsContact C-N 3.28Å; T228-G230 PolarHBondContact O-N 3Å; G230-S233 PolarHBondContact O-OG 2.79Å; G230-Y234 WeakPolarHBondContact O-CA 3.49Å; G230-Y234 WeakPolarHBondContact O-CB 3.29Å; G230-Y234 PolarHBondContact O-N 3.41Å
231L97.8Very high96.8Very high57 Ų5728 Ų2830%0.29816%0.163SC..Hα-helixtrans-69.7-44.2177.2-73.2174.1000112.2V227 T228 S233 Y234 M273 A276 I280V227-L231 HydrophobicContact CG1-CD1 4.01Å; V227-L231 HydrophobicContact CG1-CG 4.42Å; V227-L231 WeakPolarHBondContact O-CG 3.1Å; V227-L231 PolarHBondContact O-N 3.47Å; T228-L231 PolarHBondContact O-N 2.95Å; L231-S233 VanDerWaalsContact C-N 3.3Å; L231-S233 PolarHBondContact O-N 2.91Å; L231-Y234 VanDerWaalsContact O-CB 3.25Å; L231-Y234 WeakPolarHBondContact O-CB 3.32Å; L231-Y234 PolarHBondContact O-N 3.01Å; L231-Y234 VanDerWaalsContact O-N 3.15Å; L231-M273 HydrophobicContact CD2-CE 4.02Å; L231-A276 HydrophobicContact CD2-CB 3.88Å; L231-I280 HydrophobicContact CD1-CD1 4.26Å; L231-I280 HydrophobicContact CD2-CD1 4.18Å; L231-I280 HydrophobicContact CG-CD1 4.45Å
232I97.9Very high97.1Very high75 Ų7527 Ų2739%0.38516%0.158SC..Hα-helixtrans-62.7-39.8178.6-64.7166.3000111.2F196 T228 Y234 P235F196-I232 HydrophobicContact CD1-CD1 3.68Å; F196-I232 HydrophobicContact CD1-CG2 4.35Å; F196-I232 HydrophobicContact CD2-CB 4.25Å; F196-I232 HydrophobicContact CD2-CG2 3.54Å; F196-I232 HydrophobicContact CE1-CD1 3.97Å; F196-I232 HydrophobicContact CE1-CG2 4.13Å; F196-I232 HydrophobicContact CE2-CB 4.42Å; F196-I232 HydrophobicContact CE2-CG2 3.28Å; F196-I232 HydrophobicContact CG-CB 4.47Å; F196-I232 HydrophobicContact CG-CD1 4.01Å; F196-I232 HydrophobicContact CG-CG2 4.09Å; F196-I232 HydrophobicContact CZ-CG2 3.61Å; T228-I232 HydrophobicContact CG2-CD1 4.01Å; T228-I232 WeakPolarHBondContact O-CG1 3.29Å; T228-I232 PolarHBondContact O-N 3.39Å; I232-Y234 VanDerWaalsContact C-N 3.34Å; I232-P235 WeakPolarHBondContact O-CD 3.39Å
233S97.6Very high97.4Very high14 Ų1427.1 Ų27.110%0.09816%0.155CC..THydrogen-bonded Turntrans-84.7-4.3177.760.70000114S229 G230 L231 I236 D237S229-S233 WeakPolarHBondContact O-CB 3.34Å; S229-S233 PolarHBondContact O-N 3.22Å; S229-S233 PolarHBondContact O-OG 3.44Å; G230-S233 PolarHBondContact O-OG 2.79Å; L231-S233 VanDerWaalsContact C-N 3.3Å; L231-S233 PolarHBondContact O-N 2.91Å; S233-I236 WeakPolarHBondContact O-CB 3.25Å; S233-I236 PolarHBondContact O-N 3.47Å; S233-I236 VanDerWaalsContact O-N 3.11Å; S233-D237 PolarHBondContact O-N 3.18Å
234Y98.1Very high97.7Very high4 Ų424.5 Ų24.52%0.01615%0.145CC..Hα-helixtrans-61.2-38.4-174.1-160-93.3000114.4K38 Q42 G230 L231 I232 I236 D237 T238 L272 M273 K274 G275 A276 N279K38-Y234 WeakPolarHBondContact CE-OH 3.47Å; Q42-Y234 PolarHBondContact NE2-OH 2.95Å; G230-Y234 WeakPolarHBondContact O-CA 3.49Å; G230-Y234 WeakPolarHBondContact O-CB 3.29Å; G230-Y234 PolarHBondContact O-N 3.41Å; L231-Y234 VanDerWaalsContact O-CB 3.25Å; L231-Y234 WeakPolarHBondContact O-CB 3.32Å; L231-Y234 PolarHBondContact O-N 3.01Å; L231-Y234 VanDerWaalsContact O-N 3.15Å; I232-Y234 VanDerWaalsContact C-N 3.34Å; Y234-I236 PolarHBondContact O-N 3.29Å; Y234-D237 WeakPolarHBondContact O-CB 3.38Å; Y234-D237 PolarHBondContact O-N 3.28Å; Y234-T238 WeakPolarHBondContact CE1-OG1 3.35Å; Y234-T238 PolarHBondContact O-N 3.48Å; Y234-T238 PolarHBondContact O-OG1 2.77Å; Y234-L272 VanDerWaalsContact CD1-O 3.28Å; Y234-L272 WeakPolarHBondContact CD1-O 3.17Å; Y234-M273 HydrophobicContact CD1-CE 4.32Å; Y234-M273 HydrophobicContact CD1-SD 4.11Å; Y234-M273 HydrophobicContact CG-CE 4.4Å; Y234-K274 VanDerWaalsContact CE1-O 3.32Å; Y234-K274 WeakPolarHBondContact CE1-O 3.25Å; Y234-K274 PolarHBondContact OH-O 3.24Å; Y234-G275 PolarHBondContact OH-O 2.71Å; Y234-A276 HydrophobicContact CD1-CB 4.05Å; Y234-A276 HydrophobicContact CD2-CB 4.33Å; Y234-A276 HydrophobicContact CE1-CB 3.97Å; Y234-A276 HydrophobicContact CE2-CB 4.25Å; Y234-A276 HydrophobicContact CG-CB 4.23Å; Y234-A276 PolarHBondContact OH-N 3.38Å; Y234-N279 HydrophobicContact CE2-CB 3.72Å
235P98.5Very high97.8Very high37 Ų3723 Ų2324%0.2413%0.129CC..Hα-helixtrans-55.6-35.9174.3-29.438000113.6I232 T238 I239 L272 M273I232-P235 WeakPolarHBondContact O-CD 3.39Å; P235-T238 PolarHBondContact O-N 3.05Å; P235-I239 WeakPolarHBondContact O-CD1 3.17Å; P235-I239 VanDerWaalsContact O-CG1 3.32Å; P235-I239 WeakPolarHBondContact O-CG1 3.21Å; P235-I239 PolarHBondContact O-N 2.96Å; P235-L272 HydrophobicContact CB-CB 3.99Å; P235-L272 HydrophobicContact CB-CD1 4.24Å; P235-L272 HydrophobicContact CB-CG 4.48Å; P235-L272 HydrophobicContact CG-CB 4.35Å; P235-M273 HydrophobicContact CG-SD 3.81Å
236I98.3Very high97.9Very high30 Ų3022.9 Ų22.915%0.15413%0.128CC..Hα-helixtrans-67.1-42.1176.3-68.5166.5000110.8I185 V192 S233 Y234 T238 I239 R240I185-I236 HydrophobicContact CD1-CG1 4.32Å; I185-I236 HydrophobicContact CD1-CG2 4.07Å; I185-I236 HydrophobicContact CG1-CG2 3.93Å; I185-I236 VanDerWaalsContact O-CG2 3.25Å; I185-I236 WeakPolarHBondContact O-CG2 3.39Å; V192-I236 HydrophobicContact CB-CD1 3.92Å; V192-I236 HydrophobicContact CG1-CD1 3.97Å; V192-I236 HydrophobicContact CG2-CD1 3.8Å; S233-I236 WeakPolarHBondContact O-CB 3.25Å; S233-I236 PolarHBondContact O-N 3.47Å; S233-I236 VanDerWaalsContact O-N 3.11Å; Y234-I236 PolarHBondContact O-N 3.29Å; I236-T238 VanDerWaalsContact C-N 3.34Å; I236-I239 PolarHBondContact O-N 3.04Å; I236-R240 WeakPolarHBondContact O-CB 3.31Å; I236-R240 PolarHBondContact O-N 2.86Å
237D98.3Very high98Very high29 Ų2920.5 Ų20.516%0.15511%0.114CC..Hα-helixtrans-61.2-43.6173-175.456.4000110.5K38 Q42 S233 Y234 I239 R240 R241K38-D237 IonicContact NZ-OD2 3.37Å; K38-D237 PolarHBondContact NZ-OD2 2.77Å; Q42-D237 PolarHBondContact NE2-OD2 3.41Å; S233-D237 PolarHBondContact O-N 3.18Å; Y234-D237 WeakPolarHBondContact O-CB 3.38Å; Y234-D237 PolarHBondContact O-N 3.28Å; D237-I239 PolarHBondContact O-N 3.08Å; D237-R240 WeakPolarHBondContact O-CB 3.5Å; D237-R240 PolarHBondContact O-N 3.21Å; D237-R241 WeakPolarHBondContact O-CG 3.36Å; D237-R241 PolarHBondContact O-N 3.02Å; D237-R241 IonicContact OD1-CZ 2.78Å; D237-R241 IonicContact OD1-NE 3.93Å; D237-R241 PolarHBondContact OD1-NE 3.06Å; D237-R241 IonicContact OD1-NH2 3.92Å
238T98.6Very high98Very high0 Ų021 Ų210%013%0.125CC..Hα-helixtrans-61.5-49177.7-60.70000111.7Q42 Y234 P235 I236 R240 R241 R242 L272Q42-T238 HydrophobicContact CG-CG2 4.07Å; Q42-T238 PolarHBondContact NE2-OG1 3.46Å; Y234-T238 WeakPolarHBondContact CE1-OG1 3.35Å; Y234-T238 PolarHBondContact O-N 3.48Å; Y234-T238 PolarHBondContact O-OG1 2.77Å; P235-T238 PolarHBondContact O-N 3.05Å; I236-T238 VanDerWaalsContact C-N 3.34Å; T238-R240 VanDerWaalsContact C-N 3.31Å; T238-R240 PolarHBondContact O-N 3.15Å; T238-R241 PolarHBondContact O-N 3.35Å; T238-R241 VanDerWaalsContact O-N 3.14Å; T238-R242 HydrophobicContact CG2-CG 4.06Å; T238-R242 WeakPolarHBondContact O-CB 3.22Å; T238-R242 WeakPolarHBondContact O-CG 3.43Å; T238-R242 PolarHBondContact O-N 3.38Å; T238-L272 WeakPolarHBondContact CB-O 3.43Å; T238-L272 HydrophobicContact CG2-CD2 4.26Å; T238-L272 PolarHBondContact OG1-O 3.07Å
239I98.7Very high97.8Very high14 Ų1420.3 Ų20.37%0.07212%0.117CC..Hα-helixtrans-56.3-46.4175.9-68.2159.2000110.9I185 P235 I236 D237 R241 R242 M243 C259 A260 I263 L272I185-I239 HydrophobicContact CG1-CG2 4.11Å; I185-I239 HydrophobicContact CG2-CG2 4.43Å; P235-I239 WeakPolarHBondContact O-CD1 3.17Å; P235-I239 VanDerWaalsContact O-CG1 3.32Å; P235-I239 WeakPolarHBondContact O-CG1 3.21Å; P235-I239 PolarHBondContact O-N 2.96Å; I236-I239 PolarHBondContact O-N 3.04Å; D237-I239 PolarHBondContact O-N 3.08Å; I239-R241 PolarHBondContact O-N 2.86Å; I239-R242 PolarHBondContact O-N 2.89Å; I239-M243 HydrophobicContact CG2-CG 4.46Å; I239-M243 HydrophobicContact CG2-SD 4.09Å; I239-M243 VanDerWaalsContact O-CG 3.29Å; I239-M243 WeakPolarHBondContact O-CG 3.28Å; I239-M243 PolarHBondContact O-N 3.36Å; I239-C259 HydrophobicContact CG2-CB 3.99Å; I239-A260 HydrophobicContact CD1-CB 3.74Å; I239-A260 HydrophobicContact CG1-CB 4.29Å; I239-I263 HydrophobicContact CG1-CD1 4.42Å; I239-L272 HydrophobicContact CD1-CD2 4.27Å; I239-L272 HydrophobicContact CG1-CD2 3.83Å
240R98.6Very high97.5Very high30 Ų3025.4 Ų25.411%0.11316%0.16CC..Hα-helixtrans-53.7-52.4175.5170.2-169.9-175176.62.5111.3Y136 D139 I185 S186 I236 D237 T238 M243 M244Y136-R240 VanDerWaalsContact CE2-NH2 3.31Å; D139-R240 VanDerWaalsContact CB-NH2 3.3Å; D139-R240 VanDerWaalsContact CG-NH2 3.33Å; D139-R240 IonicContact OD2-CZ 2.7Å; D139-R240 IonicContact OD2-NH1 2.87Å; D139-R240 IonicContact OD2-NH2 3.42Å; D139-R240 PolarHBondContact OD2-NH2 3.4Å; I185-R240 HydrophobicContact CG2-CB 4.19Å; S186-R240 WeakPolarHBondContact OG-CD 3.34Å; S186-R240 VanDerWaalsContact OG-CG 3.23Å; S186-R240 WeakPolarHBondContact OG-CG 3.37Å; S186-R240 PolarHBondContact OG-NE 3.2Å; I236-R240 WeakPolarHBondContact O-CB 3.31Å; I236-R240 PolarHBondContact O-N 2.86Å; D237-R240 WeakPolarHBondContact O-CB 3.5Å; D237-R240 PolarHBondContact O-N 3.21Å; T238-R240 VanDerWaalsContact C-N 3.31Å; T238-R240 PolarHBondContact O-N 3.15Å; R240-M243 PolarHBondContact O-N 3.39Å; R240-M244 HydrophobicContact CG-CE 3.94Å; R240-M244 HydrophobicContact CG-SD 4.42Å; R240-M244 VanDerWaalsContact NE-CE 3.26Å; R240-M244 WeakPolarHBondContact O-CG 3.38Å; R240-M244 PolarHBondContact O-N 3.38Å
241R98.6Very high97.3Very high13 Ų1330.9 Ų30.95%0.04919%0.19CC..Hα-helixtrans-67.1-38.7-175.1-61.6-69.1175.1-171.5-0.3111.6L39 N43 D139 T143 D237 T238 I239 M243 M244 M245L39-R241 HydrophobicContact CD2-CG 4.43Å; N43-R241 VanDerWaalsContact OD1-CB 3.27Å; N43-R241 WeakPolarHBondContact OD1-CB 3.26Å; N43-R241 PolarHBondContact OD1-O 2.89Å; D139-R241 PolarHBondContact O-NH1 3.41Å; T143-R241 HydrophobicContact CG2-CB 4.37Å; T143-R241 WeakPolarHBondContact OG1-CD 3.39Å; T143-R241 PolarHBondContact OG1-NH1 3.01Å; D237-R241 WeakPolarHBondContact O-CG 3.36Å; D237-R241 PolarHBondContact O-N 3.02Å; D237-R241 IonicContact OD1-CZ 2.78Å; D237-R241 IonicContact OD1-NE 3.93Å; D237-R241 PolarHBondContact OD1-NE 3.06Å; D237-R241 IonicContact OD1-NH2 3.92Å; T238-R241 PolarHBondContact O-N 3.35Å; T238-R241 VanDerWaalsContact O-N 3.14Å; I239-R241 PolarHBondContact O-N 2.86Å; R241-M243 PolarHBondContact O-N 3.05Å; R241-M244 WeakPolarHBondContact O-CB 3.27Å; R241-M244 PolarHBondContact O-N 3.21Å; R241-M245 WeakPolarHBondContact O-CG 3.39Å; R241-M245 PolarHBondContact O-N 3.44Å
242R98.5Very high97.2Very high0 Ų031.4 Ų31.40%019%0.19CC..Hα-helixtrans-61.8-43.1174.1-64.5-72178.6142.62.8111.7Q42 N43 D45 E46 T238 I239 M244 M245 Y253 I263 E267Q42-R242 PolarHBondContact O-NE 3.44Å; Q42-R242 PolarHBondContact O-NH2 3.07Å; N43-R242 PolarHBondContact OD1-N 3.37Å; D45-R242 IonicContact OD2-CZ 2.66Å; D45-R242 IonicContact OD2-NH1 3.37Å; D45-R242 PolarHBondContact OD2-NH1 3.28Å; D45-R242 VanDerWaalsContact OD2-NH1 3.14Å; D45-R242 IonicContact OD2-NH2 3.47Å; D45-R242 PolarHBondContact OD2-NH2 3.31Å; E46-R242 HydrophobicContact CG-CB 4.39Å; E46-R242 IonicContact OE1-NH1 3.93Å; T238-R242 HydrophobicContact CG2-CG 4.06Å; T238-R242 WeakPolarHBondContact O-CB 3.22Å; T238-R242 WeakPolarHBondContact O-CG 3.43Å; T238-R242 PolarHBondContact O-N 3.38Å; I239-R242 PolarHBondContact O-N 2.89Å; R242-M244 PolarHBondContact O-N 2.7Å; R242-M245 PolarHBondContact O-N 3.27Å; R242-Y253 HydrophobicContact CB-CE2 4.13Å; R242-I263 HydrophobicContact CB-CD1 4.28Å; R242-I263 HydrophobicContact CG-CD1 3.95Å; R242-E267 IonicContact CZ-OE2 3.45Å; R242-E267 IonicContact NH1-OE1 2.82Å; R242-E267 IonicContact NH1-OE2 3.15Å; R242-E267 IonicContact NH2-OE2 2.77Å
243M98.7Very high97.2Very high18 Ų1828.8 Ų28.89%0.08918%0.176CC..Hα-helixtrans-63.1-42.1175-69.9-178.677.800113R181 I185 I239 R240 R241 M245 T246 Y253 S256 C259R181-M243 WeakPolarHBondContact CB-O 3.35Å; I185-M243 HydrophobicContact CG2-SD 4.11Å; I239-M243 HydrophobicContact CG2-CG 4.46Å; I239-M243 HydrophobicContact CG2-SD 4.09Å; I239-M243 VanDerWaalsContact O-CG 3.29Å; I239-M243 WeakPolarHBondContact O-CG 3.28Å; I239-M243 PolarHBondContact O-N 3.36Å; R240-M243 PolarHBondContact O-N 3.39Å; R241-M243 PolarHBondContact O-N 3.05Å; M243-M245 PolarHBondContact O-N 2.96Å; M243-T246 PolarHBondContact O-N 2.7Å; M243-T246 VanDerWaalsContact O-N 3.16Å; M243-T246 PolarHBondContact O-OG1 3.42Å; M243-Y253 HydrophobicContact CG-CD2 4.03Å; M243-S256 PolarHBondContact SD-OG 2.94Å; M243-C259 HydrophobicContact CG-CB 3.94Å; M243-C259 HydrophobicContact SD-CB 4.35Å
244M98.6Very high97.1Very high0 Ų037 Ų370%021%0.209CC..Hα-helixtrans-58.1-29.1176.2-70174.2167.400112.5Y136 D139 Y140 T143 R144 R181 R240 R241 R242 T246Y136-M244 HydrophobicContact CE1-CE 3.72Å; Y136-M244 HydrophobicContact CE2-CE 3.71Å; Y136-M244 WeakPolarHBondContact OH-CE 3.42Å; D139-M244 HydrophobicContact CB-CE 4.1Å; Y140-M244 HydrophobicContact CD2-CB 3.97Å; Y140-M244 HydrophobicContact CD2-CG 4.12Å; Y140-M244 HydrophobicContact CE2-CB 4.44Å; Y140-M244 WeakPolarHBondContact CE2-O 3.33Å; T143-M244 HydrophobicContact CG2-CB 4Å; T143-M244 HydrophobicContact CG2-SD 4.06Å; R144-M244 WeakPolarHBondContact CD-O 3.4Å; R181-M244 VanDerWaalsContact O-CG 3.3Å; R181-M244 WeakPolarHBondContact O-CG 3.47Å; R240-M244 HydrophobicContact CG-CE 3.94Å; R240-M244 HydrophobicContact CG-SD 4.42Å; R240-M244 VanDerWaalsContact NE-CE 3.26Å; R240-M244 WeakPolarHBondContact O-CG 3.38Å; R240-M244 PolarHBondContact O-N 3.38Å; R241-M244 WeakPolarHBondContact O-CB 3.27Å; R241-M244 PolarHBondContact O-N 3.21Å; R242-M244 PolarHBondContact O-N 2.7Å; M244-T246 PolarHBondContact O-N 3.26Å
245M98.3Very high97.1Very high1 Ų139.2 Ų39.21%0.00523%0.226CC..THydrogen-bonded Turntrans-74.7-8.5-178.4-67.7-60.7-71.700114.3N43 E46 M47 Q50 T143 R144 N147 R241 R242 M243 Q249N43-M245 HydrophobicContact CB-CG 4.35Å; E46-M245 HydrophobicContact CB-CB 3.99Å; E46-M245 HydrophobicContact CB-CG 4.39Å; E46-M245 HydrophobicContact CG-CB 4.21Å; M47-M245 HydrophobicContact CG-CE 4.49Å; Q50-M245 PolarHBondContact NE2-O 3.47Å; T143-M245 HydrophobicContact CG2-CG 4.32Å; T143-M245 HydrophobicContact CG2-SD 3.98Å; R144-M245 PolarHBondContact NH1-O 3.05Å; R144-M245 VanDerWaalsContact NH1-O 3.16Å; N147-M245 HydrophobicContact CB-CE 3.44Å; N147-M245 VanDerWaalsContact CB-CE 3.44Å; N147-M245 HydrophobicContact CB-SD 3.85Å; R241-M245 WeakPolarHBondContact O-CG 3.39Å; R241-M245 PolarHBondContact O-N 3.44Å; R242-M245 PolarHBondContact O-N 3.27Å; M243-M245 PolarHBondContact O-N 2.96Å; M245-Q249 WeakPolarHBondContact O-CG 3.01Å
246T97.7Very high97.1Very high2 Ų238.6 Ų38.61%0.01222%0.222CC..THydrogen-bonded Turntrans-92.5-9.6-171.261.60000115.8R181 M243 M244 Q249 K252 Y253R181-T246 WeakPolarHBondContact CD-OG1 3.45Å; M243-T246 PolarHBondContact O-N 2.7Å; M243-T246 VanDerWaalsContact O-N 3.16Å; M243-T246 PolarHBondContact O-OG1 3.42Å; M244-T246 PolarHBondContact O-N 3.26Å; T246-Q249 WeakPolarHBondContact O-CB 3.47Å; T246-Q249 PolarHBondContact O-N 2.88Å; T246-Q249 VanDerWaalsContact O-N 3.14Å; T246-K252 WeakPolarHBondContact O-CE 3.23Å; T246-K252 VanDerWaalsContact O-CG 3.26Å; T246-K252 WeakPolarHBondContact O-CG 3.49Å; T246-Y253 HydrophobicContact CG2-CD2 3.57Å; T246-Y253 HydrophobicContact CG2-CE2 3.79Å
247S97.1Very high97.1Very high1 Ų143.8 Ų43.81%0.00725%0.249CC..THydrogen-bonded Turntrans-66.5139.7172-57.30000110.4Y140 D174 G178 R181 Q249Y140-S247 WeakPolarHBondContact OH-CB 3.29Å; D174-S247 WeakPolarHBondContact OD2-CA 3.46Å; D174-S247 VanDerWaalsContact OD2-CB 3.28Å; D174-S247 WeakPolarHBondContact OD2-CB 3.42Å; G178-S247 WeakPolarHBondContact CA-OG 3.41Å; G178-S247 PolarHBondContact O-OG 3.28Å; R181-S247 WeakPolarHBondContact CD-OG 3.37Å; R181-S247 PolarHBondContact NE-OG 2.9Å; R181-S247 VanDerWaalsContact NE-OG 3.11Å; S247-Q249 PolarHBondContact O-N 3.3Å
248G95Very high97.1Very high41 Ų4145 Ų4542%0.42325%0.254SS..THydrogen-bonded Turntrans75.9-4.8-171.500000114.5S173 D174S173-G248 PolarHBondContact OG-N 3.48Å; D174-G248 PolarHBondContact OD2-N 3.35Å
249Q94.7Very high97.1Very high48 Ų4845 Ų4522%0.22425%0.254CS..SBendtrans-94.6152.2179.2-49.3-51.6-44.900111.4Q50 M245 T246 S247 K252Q50-Q249 HydrophobicContact CG-CG 4.27Å; M245-Q249 WeakPolarHBondContact O-CG 3.01Å; T246-Q249 WeakPolarHBondContact O-CB 3.47Å; T246-Q249 PolarHBondContact O-N 2.88Å; T246-Q249 VanDerWaalsContact O-N 3.14Å; S247-Q249 PolarHBondContact O-N 3.3Å; Q249-K252 VanDerWaalsContact O-CE 3.25Å; Q249-K252 WeakPolarHBondContact O-CE 3.47Å
250A91.9Very high97.1Very high108 Ų10845.4 Ų45.489%0.89326%0.259SS*.SBendtrans-66-39.5178.200000112.2
251V92.1Very high97.1Very high126 Ų12647.1 Ų47.176%0.76428%0.275SS*.SBendtrans-107.1128.7179.3-176.90000109.5
252K95.5Very high97Very high69 Ų6949.4 Ų49.430%0.329%0.287SS..  trans-127.6148-178.3-73.7144.1170.4175.80110.2D174 R181 T246 Q249D174-K252 WeakPolarHBondContact OD1-CE 3.44Å; D174-K252 IonicContact OD1-NZ 2.63Å; D174-K252 PolarHBondContact OD1-NZ 2.83Å; D174-K252 IonicContact OD2-NZ 3.83Å; R181-K252 VanDerWaalsContact NH2-CD 3.27Å; R181-K252 VanDerWaalsContact NH2-CE 3.29Å; T246-K252 WeakPolarHBondContact O-CE 3.23Å; T246-K252 VanDerWaalsContact O-CG 3.26Å; T246-K252 WeakPolarHBondContact O-CG 3.49Å; Q249-K252 VanDerWaalsContact O-CE 3.25Å; Q249-K252 WeakPolarHBondContact O-CE 3.47Å
253Y97.6Very high97Very high20 Ų2049.4 Ų49.48%0.07829%0.287CS..  trans-69.7132.4170.6-61.1-65.2000110.8E46 R242 M243 T246 H258 C259 E262E46-Y253 PolarHBondContact OE1-OH 3.22Å; R242-Y253 HydrophobicContact CB-CE2 4.13Å; M243-Y253 HydrophobicContact CG-CD2 4.03Å; T246-Y253 HydrophobicContact CG2-CD2 3.57Å; T246-Y253 HydrophobicContact CG2-CE2 3.79Å; Y253-H258 AromaticContact CD1-ND1 3.74Å; Y253-C259 VanDerWaalsContact CD1-CA 3.44Å; Y253-C259 HydrophobicContact CD1-CB 3.73Å; Y253-C259 HydrophobicContact CD2-CB 3.94Å; Y253-C259 HydrophobicContact CE1-CB 4.1Å; Y253-C259 HydrophobicContact CE2-CB 4.31Å; Y253-C259 WeakPolarHBondContact CE2-SG 3.44Å; Y253-C259 HydrophobicContact CG-CB 3.6Å; Y253-C259 VanDerWaalsContact CZ-SG 3.57Å; Y253-E262 HydrophobicContact CD1-CG 4.49Å; Y253-E262 HydrophobicContact CE1-CB 3.88Å; Y253-E262 HydrophobicContact CE1-CG 4.23Å
254K96.2Very high97Very high185 Ų18552.5 Ų52.580%0.80430%0.303SS*.SBendtrans-72.3-34.2179.4-59.9178.7-176.8176.50112.5H258K254-H258 HydrophobicContact CB-CB 4.27Å
255S97.6Very high97Very high52 Ų5260.4 Ų60.436%0.36434%0.338SS..SBendtrans-156.6171.3179.770.80000110I257 H258 C259S255-I257 VanDerWaalsContact C-N 3.28Å; S255-I257 PolarHBondContact O-N 2.9Å; S255-I257 PolarHBondContact OG-N 3.37Å; S255-H258 PolarHBondContact O-N 3.01Å; S255-H258 PolarHBondContact OG-N 3.4Å; S255-C259 PolarHBondContact O-N 3.41Å
256S97.9Very high96.9Very high23 Ų2365.2 Ų65.216%0.16136%0.363CS..Hα-helixtrans-67.2-30.9175.2-52.30000112.6I185 M243 C259 A260I185-S256 VanDerWaalsContact CB-OG 3.26Å; I185-S256 WeakPolarHBondContact CB-OG 3.46Å; I185-S256 WeakPolarHBondContact CG2-OG 3.28Å; M243-S256 PolarHBondContact SD-OG 2.94Å; S256-C259 PolarHBondContact O-N 3.37Å; S256-A260 WeakPolarHBondContact O-CB 3.49Å; S256-A260 PolarHBondContact O-N 3.17Å
257I98.3Very high96.8Very high140 Ų14067.1 Ų67.172%0.71837%0.372SS*.Hα-helixtrans-68.5-43.4173.1-59.6173.1000110S255 C259 A260 S261S255-I257 VanDerWaalsContact C-N 3.28Å; S255-I257 PolarHBondContact O-N 2.9Å; S255-I257 PolarHBondContact OG-N 3.37Å; I257-C259 VanDerWaalsContact C-N 3.33Å; I257-C259 PolarHBondContact O-N 3.32Å; I257-A260 PolarHBondContact O-N 2.97Å; I257-S261 WeakPolarHBondContact O-CB 3.5Å; I257-S261 PolarHBondContact O-N 3.37Å
258H98.3Very high96.9Very high55 Ų5568.1 Ų68.126%0.25538%0.382SS..Hα-helixtrans-61.4-42.3174.1-177.8-81.8000111.2Y253 K254 S255 S261 E262Y253-H258 AromaticContact CD1-ND1 3.74Å; K254-H258 HydrophobicContact CB-CB 4.27Å; S255-H258 PolarHBondContact O-N 3.01Å; S255-H258 PolarHBondContact OG-N 3.4Å; H258-S261 PolarHBondContact O-N 2.9Å; H258-E262 WeakPolarHBondContact O-CB 3.46Å; H258-E262 VanDerWaalsContact O-CG 3.3Å; H258-E262 WeakPolarHBondContact O-CG 3.2Å; H258-E262 PolarHBondContact O-N 3.05Å
259C98.6Very high96.9Very high0 Ų070.7 Ų70.70%039%0.392CS..Hα-helixtrans-60.4-46.3174-175.40000112.2I239 M243 Y253 S255 S256 I257 E262 I263I239-C259 HydrophobicContact CG2-CB 3.99Å; M243-C259 HydrophobicContact CG-CB 3.94Å; M243-C259 HydrophobicContact SD-CB 4.35Å; Y253-C259 VanDerWaalsContact CD1-CA 3.44Å; Y253-C259 HydrophobicContact CD1-CB 3.73Å; Y253-C259 HydrophobicContact CD2-CB 3.94Å; Y253-C259 HydrophobicContact CE1-CB 4.1Å; Y253-C259 HydrophobicContact CE2-CB 4.31Å; Y253-C259 WeakPolarHBondContact CE2-SG 3.44Å; Y253-C259 HydrophobicContact CG-CB 3.6Å; Y253-C259 VanDerWaalsContact CZ-SG 3.57Å; S255-C259 PolarHBondContact O-N 3.41Å; S256-C259 PolarHBondContact O-N 3.37Å; I257-C259 VanDerWaalsContact C-N 3.33Å; I257-C259 PolarHBondContact O-N 3.32Å; C259-E262 PolarHBondContact O-N 3.5Å; C259-I263 WeakPolarHBondContact O-CD1 3.43Å; C259-I263 VanDerWaalsContact O-CG1 3.24Å; C259-I263 WeakPolarHBondContact O-CG1 3.42Å; C259-I263 PolarHBondContact O-N 2.87Å
260A98.5Very high97Very high22 Ų2275.3 Ų75.318%0.18242%0.415CS..Hα-helixtrans-61-46.9177.300000111.5I239 S256 I257 E262 I263 L264I239-A260 HydrophobicContact CD1-CB 3.74Å; I239-A260 HydrophobicContact CG1-CB 4.29Å; S256-A260 WeakPolarHBondContact O-CB 3.49Å; S256-A260 PolarHBondContact O-N 3.17Å; I257-A260 PolarHBondContact O-N 2.97Å; A260-E262 PolarHBondContact O-N 3.33Å; A260-I263 PolarHBondContact O-N 3.15Å; A260-L264 WeakPolarHBondContact O-CB 3.27Å; A260-L264 VanDerWaalsContact O-CG 3.25Å; A260-L264 WeakPolarHBondContact O-CG 3.22Å; A260-L264 PolarHBondContact O-N 3.42Å
261S98.6Very high97.3Very high65 Ų6570.2 Ų70.246%0.45537%0.373SS..Hα-helixtrans-59.7-46.9178.5-177.80000112.1I257 H258 I263 L264 K265I257-S261 WeakPolarHBondContact O-CB 3.5Å; I257-S261 PolarHBondContact O-N 3.37Å; H258-S261 PolarHBondContact O-N 2.9Å; S261-I263 PolarHBondContact O-N 3.15Å; S261-L264 PolarHBondContact O-N 3.31Å; S261-K265 VanDerWaalsContact O-CB 3.22Å; S261-K265 WeakPolarHBondContact O-CB 3.47Å; S261-K265 PolarHBondContact O-N 3.43Å
262E98.1Very high97.5Very high62 Ų6265.1 Ų65.129%0.2934%0.341SS..Hα-helixtrans-62.7-39.5177.4-74.3-64.1137.600112.5Y253 H258 C259 A260 N266Y253-E262 HydrophobicContact CD1-CG 4.49Å; Y253-E262 HydrophobicContact CE1-CB 3.88Å; Y253-E262 HydrophobicContact CE1-CG 4.23Å; H258-E262 WeakPolarHBondContact O-CB 3.46Å; H258-E262 VanDerWaalsContact O-CG 3.3Å; H258-E262 WeakPolarHBondContact O-CG 3.2Å; H258-E262 PolarHBondContact O-N 3.05Å; C259-E262 PolarHBondContact O-N 3.5Å; A260-E262 PolarHBondContact O-N 3.33Å; E262-N266 VanDerWaalsContact O-CB 3.32Å; E262-N266 WeakPolarHBondContact O-CB 3.43Å; E262-N266 PolarHBondContact O-N 3.48Å; E262-N266 PolarHBondContact O-ND2 2.97Å; E262-N266 PolarHBondContact OE2-ND2 3.15Å
263I98.3Very high97.7Very high0 Ų064.4 Ų64.40%034%0.34CS..Hα-helixtrans-66.1-49.6176-67.4165.6000110I239 R242 C259 A260 S261 K265 E267 G268 L272I239-I263 HydrophobicContact CG1-CD1 4.42Å; R242-I263 HydrophobicContact CB-CD1 4.28Å; R242-I263 HydrophobicContact CG-CD1 3.95Å; C259-I263 WeakPolarHBondContact O-CD1 3.43Å; C259-I263 VanDerWaalsContact O-CG1 3.24Å; C259-I263 WeakPolarHBondContact O-CG1 3.42Å; C259-I263 PolarHBondContact O-N 2.87Å; A260-I263 PolarHBondContact O-N 3.15Å; S261-I263 PolarHBondContact O-N 3.15Å; I263-K265 VanDerWaalsContact C-N 3.32Å; I263-K265 PolarHBondContact O-N 2.89Å; I263-E267 HydrophobicContact CG2-CB 4.35Å; I263-E267 CarbonylContact O-C 3.58Å; I263-E267 WeakPolarHBondContact O-CA 3.01Å; I263-E267 VanDerWaalsContact O-CB 3.31Å; I263-E267 WeakPolarHBondContact O-CB 3.42Å; I263-E267 PolarHBondContact O-N 3.34Å; I263-G268 PolarHBondContact O-N 3.11Å; I263-G268 VanDerWaalsContact O-N 3.08Å; I263-L272 HydrophobicContact CB-CD2 4.44Å; I263-L272 HydrophobicContact CD1-CD2 4Å; I263-L272 HydrophobicContact CG2-CD2 3.88Å; I263-L272 HydrophobicContact CG2-CG 3.95Å
264L98.3Very high97.6Very high83 Ų8365.7 Ų65.744%0.43535%0.346SS..Hα-helixtrans-62-40.9-178.2-69.8177.9000112.1A260 S261 G268 P269 L272A260-L264 WeakPolarHBondContact O-CB 3.27Å; A260-L264 VanDerWaalsContact O-CG 3.25Å; A260-L264 WeakPolarHBondContact O-CG 3.22Å; A260-L264 PolarHBondContact O-N 3.42Å; S261-L264 PolarHBondContact O-N 3.31Å; L264-G268 WeakPolarHBondContact O-CA 3.37Å; L264-G268 PolarHBondContact O-N 3.42Å; L264-P269 HydrophobicContact CD2-CB 3.96Å; L264-L272 HydrophobicContact CD2-CD1 3.72Å; L264-L272 HydrophobicContact CG-CD1 4.37Å
265K98Very high97.6Very high166 Ų16657.2 Ų57.272%0.72231%0.311SS*.Hα-helixtrans-72.3-43.6-178.5-174.7179.7177.2-176.30112.8S261 I263S261-K265 VanDerWaalsContact O-CB 3.22Å; S261-K265 WeakPolarHBondContact O-CB 3.47Å; S261-K265 PolarHBondContact O-N 3.43Å; I263-K265 VanDerWaalsContact C-N 3.32Å; I263-K265 PolarHBondContact O-N 2.89Å
266N97.1Very high97.5Very high101 Ų10155.2 Ų55.254%0.5430%0.298SS..Hα-helixtrans-101.1-23.5-170.1-55.5-51.7000113.9E262E262-N266 VanDerWaalsContact O-CB 3.32Å; E262-N266 WeakPolarHBondContact O-CB 3.43Å; E262-N266 PolarHBondContact O-N 3.48Å; E262-N266 PolarHBondContact O-ND2 2.97Å; E262-N266 PolarHBondContact OE2-ND2 3.15Å
267E96.3Very high97.3Very high42 Ų4256.6 Ų56.620%0.19632%0.315CS..THydrogen-bonded Turntrans-121-14.9-173.3-50.7177.3-162.100113D45 K49 R242 I263 S271D45-E267 HydrophobicContact CB-CG 4.47Å; K49-E267 IonicContact NZ-OE1 3.51Å; R242-E267 IonicContact CZ-OE2 3.45Å; R242-E267 IonicContact NH1-OE1 2.82Å; R242-E267 IonicContact NH1-OE2 3.15Å; R242-E267 IonicContact NH2-OE2 2.77Å; I263-E267 HydrophobicContact CG2-CB 4.35Å; I263-E267 CarbonylContact O-C 3.58Å; I263-E267 WeakPolarHBondContact O-CA 3.01Å; I263-E267 VanDerWaalsContact O-CB 3.31Å; I263-E267 WeakPolarHBondContact O-CB 3.42Å; I263-E267 PolarHBondContact O-N 3.34Å; E267-S271 PolarHBondContact OE2-OG 3.43Å
268G97.2Very high97.1Very high22 Ų2250 Ų5023%0.22728%0.282CS..  trans80.8163.5-177.500000114.4I263 L264 M270 S271I263-G268 PolarHBondContact O-N 3.11Å; I263-G268 VanDerWaalsContact O-N 3.08Å; L264-G268 WeakPolarHBondContact O-CA 3.37Å; L264-G268 PolarHBondContact O-N 3.42Å; G268-M270 VanDerWaalsContact C-N 3.3Å; G268-M270 PolarHBondContact O-N 3.08Å; G268-S271 VanDerWaalsContact O-CB 3.3Å; G268-S271 WeakPolarHBondContact O-CB 3.37Å; G268-S271 PolarHBondContact O-N 3.49Å; G268-S271 VanDerWaalsContact O-N 3.08Å
269P97Very high96.8Very high96 Ų9648.8 Ų48.862%0.62328%0.277SS*.G310 helixtrans-61.7-34.6-17323.6-33.8000113.6L264 S271 L272L264-P269 HydrophobicContact CD2-CB 3.96Å; P269-S271 PolarHBondContact O-N 3.42Å; P269-L272 WeakPolarHBondContact O-CB 3.48Å; P269-L272 PolarHBondContact O-N 3.39Å; P269-L272 VanDerWaalsContact O-N 3.16Å
270M95.9Very high96.6Very high144 Ų14451.3 Ų51.371%0.70929%0.29SS*.G310 helixtrans-66.3-19179.8-163.756.164.600112.8G268 L272 M273 K274G268-M270 VanDerWaalsContact C-N 3.3Å; G268-M270 PolarHBondContact O-N 3.08Å; M270-L272 PolarHBondContact O-N 3.41Å; M270-M273 PolarHBondContact O-N 2.74Å; M270-M273 HydrophobicContact SD-CB 3.96Å; M270-M273 HydrophobicContact SD-CG 4.38Å; M270-K274 PolarHBondContact O-N 3Å
271S97.3Very high96.2Very high2 Ų254.9 Ų54.91%0.01431%0.306CS..G310 helixtrans-60.2-31.7174.9-159.90000112E267 G268 P269 M273 K274E267-S271 PolarHBondContact OE2-OG 3.43Å; G268-S271 VanDerWaalsContact O-CB 3.3Å; G268-S271 WeakPolarHBondContact O-CB 3.37Å; G268-S271 PolarHBondContact O-N 3.49Å; G268-S271 VanDerWaalsContact O-N 3.08Å; P269-S271 PolarHBondContact O-N 3.42Å; S271-M273 PolarHBondContact O-N 3.35Å; S271-K274 WeakPolarHBondContact O-CB 3.46Å; S271-K274 PolarHBondContact O-N 2.94Å; S271-K274 WeakPolarHBondContact OG-CE 3.18Å; S271-K274 PolarHBondContact OG-NZ 3.02Å
272L98.1Very high95.7Very high18 Ų1855.5 Ų55.59%0.09430%0.298CS..G310 helixtrans-66.3-20.6176.9-67.5168.6000113.3Y234 P235 T238 I239 I263 L264 P269 M270Y234-L272 VanDerWaalsContact CD1-O 3.28Å; Y234-L272 WeakPolarHBondContact CD1-O 3.17Å; P235-L272 HydrophobicContact CB-CB 3.99Å; P235-L272 HydrophobicContact CB-CD1 4.24Å; P235-L272 HydrophobicContact CB-CG 4.48Å; P235-L272 HydrophobicContact CG-CB 4.35Å; T238-L272 WeakPolarHBondContact CB-O 3.43Å; T238-L272 HydrophobicContact CG2-CD2 4.26Å; T238-L272 PolarHBondContact OG1-O 3.07Å; I239-L272 HydrophobicContact CD1-CD2 4.27Å; I239-L272 HydrophobicContact CG1-CD2 3.83Å; I263-L272 HydrophobicContact CB-CD2 4.44Å; I263-L272 HydrophobicContact CD1-CD2 4Å; I263-L272 HydrophobicContact CG2-CD2 3.88Å; I263-L272 HydrophobicContact CG2-CG 3.95Å; L264-L272 HydrophobicContact CD2-CD1 3.72Å; L264-L272 HydrophobicContact CG-CD1 4.37Å; P269-L272 WeakPolarHBondContact O-CB 3.48Å; P269-L272 PolarHBondContact O-N 3.39Å; P269-L272 VanDerWaalsContact O-N 3.16Å; M270-L272 PolarHBondContact O-N 3.41Å
273M97.8Very high95.1Very high55 Ų5553.7 Ų53.727%0.27130%0.297SS..G310 helixtrans-1021.4-178.6-60.3-55.1-6700113.6L231 Y234 P235 M270 S271 G275 A276L231-M273 HydrophobicContact CD2-CE 4.02Å; Y234-M273 HydrophobicContact CD1-CE 4.32Å; Y234-M273 HydrophobicContact CD1-SD 4.11Å; Y234-M273 HydrophobicContact CG-CE 4.4Å; P235-M273 HydrophobicContact CG-SD 3.81Å; M270-M273 PolarHBondContact O-N 2.74Å; M270-M273 HydrophobicContact SD-CB 3.96Å; M270-M273 HydrophobicContact SD-CG 4.38Å; S271-M273 PolarHBondContact O-N 3.35Å; M273-G275 PolarHBondContact O-N 3.44Å; M273-A276 HydrophobicContact CE-CB 4.1Å; M273-A276 WeakPolarHBondContact O-CB 3.32Å; M273-A276 PolarHBondContact O-N 3.33Å
274K97Very high94.5Very high46 Ų4657.3 Ų57.320%0.232%0.318CS..THydrogen-bonded Turntrans-56.5126.6177.4-78.7171.7178.7163.60111V41 Q42 Q44 D45 Y234 M270 S271V41-K274 HydrophobicContact CG1-CB 4.13Å; Q42-K274 WeakPolarHBondContact CB-O 3.2Å; Q44-K274 HydrophobicContact CG-CD 4.4Å; D45-K274 VanDerWaalsContact CG-NZ 3.31Å; D45-K274 IonicContact OD1-NZ 2.95Å; D45-K274 PolarHBondContact OD1-NZ 3.44Å; D45-K274 IonicContact OD2-NZ 2.95Å; D45-K274 PolarHBondContact OD2-NZ 3.14Å; Y234-K274 VanDerWaalsContact CE1-O 3.32Å; Y234-K274 WeakPolarHBondContact CE1-O 3.25Å; Y234-K274 PolarHBondContact OH-O 3.24Å; M270-K274 PolarHBondContact O-N 3Å; S271-K274 WeakPolarHBondContact O-CB 3.46Å; S271-K274 PolarHBondContact O-N 2.94Å; S271-K274 WeakPolarHBondContact OG-CE 3.18Å; S271-K274 PolarHBondContact OG-NZ 3.02Å
275G95.5Very high93.9Very high8 Ų854.9 Ų54.98%0.08231%0.31CS..THydrogen-bonded Turntrans84.8-1.5-178.500000115.3Y234 M273 G277 A278 N279Y234-G275 PolarHBondContact OH-O 2.71Å; M273-G275 PolarHBondContact O-N 3.44Å; G275-G277 VanDerWaalsContact C-N 3.29Å; G275-G277 PolarHBondContact O-N 2.88Å; G275-A278 WeakPolarHBondContact O-CB 3.2Å; G275-A278 PolarHBondContact O-N 3.47Å; G275-N279 PolarHBondContact O-N 2.94Å
276A95.9Very high93.2Very high9 Ų947.7 Ų47.77%0.07428%0.284CS..Hα-helixtrans-56.4-40.8-179.200000112.9L231 Y234 M273 A278 N279 I280L231-A276 HydrophobicContact CD2-CB 3.88Å; Y234-A276 HydrophobicContact CD1-CB 4.05Å; Y234-A276 HydrophobicContact CD2-CB 4.33Å; Y234-A276 HydrophobicContact CE1-CB 3.97Å; Y234-A276 HydrophobicContact CE2-CB 4.25Å; Y234-A276 HydrophobicContact CG-CB 4.23Å; Y234-A276 PolarHBondContact OH-N 3.38Å; M273-A276 HydrophobicContact CE-CB 4.1Å; M273-A276 WeakPolarHBondContact O-CB 3.32Å; M273-A276 PolarHBondContact O-N 3.33Å; A276-A278 PolarHBondContact O-N 3.45Å; A276-N279 WeakPolarHBondContact O-CB 3.39Å; A276-N279 PolarHBondContact O-N 3.31Å; A276-N279 VanDerWaalsContact O-N 3.13Å; A276-I280 PolarHBondContact O-N 3.05Å; A276-I280 VanDerWaalsContact O-N 3.07Å
277G92.8Very high92.5Very high52 Ų5244.4 Ų44.454%0.53627%0.27SS..Hα-helixtrans-61.5-42.2174.800000113.4G275 N279 I280 L281G275-G277 VanDerWaalsContact C-N 3.29Å; G275-G277 PolarHBondContact O-N 2.88Å; G277-N279 VanDerWaalsContact C-N 3.28Å; G277-N279 PolarHBondContact O-N 3.15Å; G277-I280 PolarHBondContact O-N 3.01Å; G277-L281 PolarHBondContact O-N 3.46Å
278A94.1Very high91.8Very high3 Ų344.7 Ų44.73%0.02529%0.285CS..Hα-helixtrans-65.2-33174.600000111.7I34 K38 V60 G275 A276 L281 R282I34-A278 HydrophobicContact CG2-CB 4.37Å; I34-A278 VanDerWaalsContact CG2-O 3.27Å; I34-A278 WeakPolarHBondContact CG2-O 3.43Å; K38-A278 HydrophobicContact CB-CB 3.81Å; K38-A278 HydrophobicContact CG-CB 4.43Å; V60-A278 HydrophobicContact CG2-CB 4.31Å; G275-A278 WeakPolarHBondContact O-CB 3.2Å; G275-A278 PolarHBondContact O-N 3.47Å; A276-A278 PolarHBondContact O-N 3.45Å; A278-L281 PolarHBondContact O-N 2.9Å; A278-R282 WeakPolarHBondContact O-CB 3.22Å; A278-R282 PolarHBondContact O-N 3.43Å
279N93.3Very high91.1Very high28 Ų2845.8 Ų45.815%0.1529%0.287CS..Hα-helixtrans-65.3-38.1173.8-175.374.6000112.8K38 Y234 G275 A276 G277 R282 G283K38-N279 HydrophobicContact CD-CB 3.87Å; K38-N279 HydrophobicContact CG-CB 4.23Å; K38-N279 PolarHBondContact NZ-OD1 3.21Å; K38-N279 VanDerWaalsContact NZ-OD1 3.12Å; Y234-N279 HydrophobicContact CE2-CB 3.72Å; G275-N279 PolarHBondContact O-N 2.94Å; A276-N279 WeakPolarHBondContact O-CB 3.39Å; A276-N279 PolarHBondContact O-N 3.31Å; A276-N279 VanDerWaalsContact O-N 3.13Å; G277-N279 VanDerWaalsContact C-N 3.28Å; G277-N279 PolarHBondContact O-N 3.15Å; N279-R282 PolarHBondContact OD1-NH2 2.9Å; N279-G283 PolarHBondContact O-N 3.47Å
280I93.4Very high90.5Very high53 Ų5344.6 Ų44.627%0.27228%0.275SS..Hα-helixtrans-65.6-50.6174.1-63.1171000110Y223 V227 L231 A276 G277 R282 G283 V284Y223-I280 PolarHBondContact OH-O 2.99Å; Y223-I280 VanDerWaalsContact OH-O 3.08Å; V227-I280 HydrophobicContact CG1-CD1 3.84Å; V227-I280 HydrophobicContact CG1-CG1 3.99Å; V227-I280 HydrophobicContact CG2-CG2 4.18Å; L231-I280 HydrophobicContact CD1-CD1 4.26Å; L231-I280 HydrophobicContact CD2-CD1 4.18Å; L231-I280 HydrophobicContact CG-CD1 4.45Å; A276-I280 PolarHBondContact O-N 3.05Å; A276-I280 VanDerWaalsContact O-N 3.07Å; G277-I280 PolarHBondContact O-N 3.01Å; I280-R282 VanDerWaalsContact C-N 3.26Å; I280-R282 PolarHBondContact O-N 2.93Å; I280-G283 WeakPolarHBondContact O-CA 3.45Å; I280-G283 PolarHBondContact O-N 2.91Å; I280-V284 PolarHBondContact O-N 3.1Å
281L90.3Very high89.8Confident98 Ų9840.5 Ų40.551%0.51326%0.264SS..Hα-helixtrans-58.1-40.3-179.8-177.862.5000112I34 G277 A278 G283 V284 A285I34-L281 HydrophobicContact CD1-CD2 4.26Å; I34-L281 HydrophobicContact CD1-CG 4.11Å; I34-L281 HydrophobicContact CG1-CD2 4.47Å; I34-L281 HydrophobicContact CG2-CB 4.31Å; I34-L281 HydrophobicContact CG2-CD2 4.32Å; I34-L281 HydrophobicContact CG2-CG 4.36Å; G277-L281 PolarHBondContact O-N 3.46Å; A278-L281 PolarHBondContact O-N 2.9Å; L281-G283 VanDerWaalsContact C-N 3.27Å; L281-G283 PolarHBondContact O-N 2.84Å; L281-V284 PolarHBondContact O-N 2.8Å; L281-A285 PolarHBondContact O-N 3.24Å
282R89.1Confident89Confident77 Ų7742.6 Ų42.629%0.29129%0.286SS..Hα-helixtrans-58.6-39.6173-177.5-173.763.374.73.2112.2A31 I34 E35 A278 N279 I280 A285 G286A31-R282 HydrophobicContact CB-CG 4.1Å; I34-R282 HydrophobicContact CB-CB 4.48Å; I34-R282 HydrophobicContact CG2-CB 3.9Å; E35-R282 WeakPolarHBondContact OE2-CD 3.42Å; E35-R282 IonicContact OE2-CZ 2.74Å; E35-R282 IonicContact OE2-NE 2.74Å; E35-R282 PolarHBondContact OE2-NE 2.99Å; A278-R282 WeakPolarHBondContact O-CB 3.22Å; A278-R282 PolarHBondContact O-N 3.43Å; N279-R282 PolarHBondContact OD1-NH2 2.9Å; I280-R282 VanDerWaalsContact C-N 3.26Å; I280-R282 PolarHBondContact O-N 2.93Å; R282-A285 PolarHBondContact O-N 2.98Å; R282-G286 PolarHBondContact O-N 2.8Å
283G85.4Confident88.3Confident25 Ų2542.8 Ų42.826%0.25829%0.286SS..Hα-helixtrans-59.4-48.3176.800000111.9N279 I280 L281 G286 A287N279-G283 PolarHBondContact O-N 3.47Å; I280-G283 WeakPolarHBondContact O-CA 3.45Å; I280-G283 PolarHBondContact O-N 2.91Å; L281-G283 VanDerWaalsContact C-N 3.27Å; L281-G283 PolarHBondContact O-N 2.84Å; G283-G286 PolarHBondContact O-N 3Å; G283-A287 WeakPolarHBondContact O-CB 3.43Å; G283-A287 PolarHBondContact O-N 2.85Å
284V85.4Confident87.4Confident75 Ų7542.8 Ų42.846%0.45529%0.287SS..Hα-helixtrans-59.8-49.7175.7-174.50000111.1Y223 I280 L281 G286 A287 G288Y223-V284 HydrophobicContact CE1-CG2 4.16Å; Y223-V284 HydrophobicContact CE2-CG2 4.43Å; Y223-V284 WeakPolarHBondContact OH-CG2 3.42Å; Y223-V284 PolarHBondContact OH-N 3.23Å; I280-V284 PolarHBondContact O-N 3.1Å; L281-V284 PolarHBondContact O-N 2.8Å; V284-G286 PolarHBondContact O-N 3.34Å; V284-A287 PolarHBondContact O-N 3.06Å; V284-G288 PolarHBondContact O-N 3.43Å
285A84.9Confident86.7Confident32 Ų3246.6 Ų46.626%0.26430%0.304SS..Hα-helixtrans-60.1-44.8-178.400000111.9I34 L281 R282 G288 V289I34-A285 HydrophobicContact CD1-CB 4Å; L281-A285 PolarHBondContact O-N 3.24Å; R282-A285 PolarHBondContact O-N 2.98Å; A285-G288 PolarHBondContact O-N 3.14Å; A285-V289 WeakPolarHBondContact O-CG2 3.28Å; A285-V289 PolarHBondContact O-N 3.43Å; A285-V289 VanDerWaalsContact O-N 3.11Å
286G82.5Confident86.2Confident16 Ų1651.3 Ų51.317%0.16532%0.322CS..Hα-helixtrans-63.3-42.6176.800000112.9R282 G283 V284 V289 L290R282-G286 PolarHBondContact O-N 2.8Å; G283-G286 PolarHBondContact O-N 3Å; V284-G286 PolarHBondContact O-N 3.34Å; G286-V289 PolarHBondContact O-N 3.37Å; G286-L290 WeakPolarHBondContact O-CB 3.5Å; G286-L290 VanDerWaalsContact O-CG 3.31Å; G286-L290 WeakPolarHBondContact O-CG 3.33Å; G286-L290 PolarHBondContact O-N 3.18Å; G286-L290 VanDerWaalsContact O-N 3.08Å
287A82.5Confident85.6Confident31 Ų3151.1 Ų51.126%0.25632%0.32SS..Hα-helixtrans-63.5-43.2177.300000112F219 G283 V284 L290 A291F219-A287 HydrophobicContact CZ-CB 4.37Å; G283-A287 WeakPolarHBondContact O-CB 3.43Å; G283-A287 PolarHBondContact O-N 2.85Å; V284-A287 PolarHBondContact O-N 3.06Å; A287-L290 PolarHBondContact O-N 2.92Å; A287-A291 WeakPolarHBondContact O-CB 3.39Å; A287-A291 PolarHBondContact O-N 3.06Å
288G82.2Confident85.1Confident49 Ų4952.5 Ų52.551%0.50531%0.312SS..Hα-helixtrans-61.7-44.7177.600000112.9V284 A285 A291 G292V284-G288 PolarHBondContact O-N 3.43Å; A285-G288 PolarHBondContact O-N 3.14Å; G288-A291 PolarHBondContact O-N 3.25Å; G288-G292 PolarHBondContact O-N 2.74Å; G288-G292 VanDerWaalsContact O-N 3.11Å
289V83.4Confident84.7Confident44 Ų4457.9 Ų57.927%0.26734%0.34SS..Hα-helixtrans-66.9-40.6178.91780000111.7I26 A27 A30 A285 G286 G292 F293I26-V289 HydrophobicContact CG2-CG1 4.19Å; A27-V289 HydrophobicContact CB-CB 4.22Å; A27-V289 HydrophobicContact CB-CG1 3.89Å; A30-V289 HydrophobicContact CB-CG2 3.85Å; A285-V289 WeakPolarHBondContact O-CG2 3.28Å; A285-V289 PolarHBondContact O-N 3.43Å; A285-V289 VanDerWaalsContact O-N 3.11Å; G286-V289 PolarHBondContact O-N 3.37Å; V289-G292 PolarHBondContact O-N 3.25Å; V289-F293 PolarHBondContact O-N 2.8Å
290L82.8Confident84.3Confident71 Ų7160 Ų6037%0.37235%0.346SS..Hα-helixtrans-64-42.2176.8-72.7173000112A27 G286 A287 G292 F293 D294A27-L290 HydrophobicContact CB-CD2 3.88Å; A27-L290 HydrophobicContact CB-CG 4.01Å; G286-L290 WeakPolarHBondContact O-CB 3.5Å; G286-L290 VanDerWaalsContact O-CG 3.31Å; G286-L290 WeakPolarHBondContact O-CG 3.33Å; G286-L290 PolarHBondContact O-N 3.18Å; G286-L290 VanDerWaalsContact O-N 3.08Å; A287-L290 PolarHBondContact O-N 2.92Å; L290-G292 VanDerWaalsContact C-N 3.32Å; L290-G292 PolarHBondContact O-N 3.42Å; L290-F293 PolarHBondContact O-N 3Å; L290-F293 VanDerWaalsContact O-N 3.15Å; L290-D294 PolarHBondContact O-N 2.91Å
291A81.4Confident83.9Confident59 Ų5957.6 Ų57.649%0.48833%0.334SS..Hα-helixtrans-60.9-41176.100000112.1A287 G288 D294 K295A287-A291 WeakPolarHBondContact O-CB 3.39Å; A287-A291 PolarHBondContact O-N 3.06Å; G288-A291 PolarHBondContact O-N 3.25Å; A291-D294 PolarHBondContact O-N 3.27Å; A291-K295 PolarHBondContact O-N 2.85Å
292G81.8Confident83.7Confident45 Ų4558.4 Ų58.446%0.46434%0.339SS..Hα-helixtrans-64.3-38.9173.500000113G288 V289 L290 K295 F296G288-G292 PolarHBondContact O-N 2.74Å; G288-G292 VanDerWaalsContact O-N 3.11Å; V289-G292 PolarHBondContact O-N 3.25Å; L290-G292 VanDerWaalsContact C-N 3.32Å; L290-G292 PolarHBondContact O-N 3.42Å; G292-K295 WeakPolarHBondContact O-CB 3.37Å; G292-K295 PolarHBondContact O-N 3.34Å; G292-F296 PolarHBondContact O-N 2.86Å; G292-F296 VanDerWaalsContact O-N 3.15Å
293F81.9Confident83.6Confident22 Ų2263.2 Ų63.210%0.09636%0.363CS..Hα-helixtrans-74-29.9179.3-158.3-83.2000113L19 A22 A23 I26 V289 L290 K295 F296 K297L19-F293 VanDerWaalsContact O-CE1 3.25Å; L19-F293 WeakPolarHBondContact O-CE1 3.16Å; A22-F293 HydrophobicContact CB-CZ 4.22Å; A23-F293 HydrophobicContact CB-CB 4.22Å; A23-F293 HydrophobicContact CB-CD1 3.11Å; A23-F293 HydrophobicContact CB-CD2 4.23Å; A23-F293 HydrophobicContact CB-CE1 3.35Å; A23-F293 HydrophobicContact CB-CE2 4.42Å; A23-F293 HydrophobicContact CB-CG 3.59Å; A23-F293 HydrophobicContact CB-CZ 4.02Å; I26-F293 HydrophobicContact CD1-CD2 4.26Å; I26-F293 HydrophobicContact CD1-CE2 3.71Å; V289-F293 PolarHBondContact O-N 2.8Å; L290-F293 PolarHBondContact O-N 3Å; L290-F293 VanDerWaalsContact O-N 3.15Å; F293-K295 PolarHBondContact O-N 3.48Å; F293-F296 HydrophobicContact CD2-CD1 4.36Å; F293-F296 HydrophobicContact CE1-CD1 4.07Å; F293-F296 AromaticContact CE2-CD1 3.89Å; F293-F296 HydrophobicContact CE2-CD1 3.89Å; F293-F296 HydrophobicContact CE2-CE1 4.34Å; F293-F296 AromaticContact CZ-CD1 3.75Å; F293-F296 HydrophobicContact CZ-CD1 3.75Å; F293-F296 HydrophobicContact CZ-CE1 4.08Å; F293-F296 WeakPolarHBondContact O-CB 3.02Å; F293-F296 PolarHBondContact O-N 3.45Å; F293-F296 VanDerWaalsContact O-N 3.15Å; F293-K297 HydrophobicContact CD1-CD 3.95Å; F293-K297 HydrophobicContact CD1-CG 3.69Å; F293-K297 HydrophobicContact CE1-CD 3.88Å; F293-K297 HydrophobicContact CE1-CG 3.51Å; F293-K297 PolarHBondContact O-N 3.42Å
294D80.1Confident83.5Confident55 Ų5568.9 Ų68.929%0.29438%0.376SS..Hα-helixtrans-59.8-39.4170.8-78-20.7000111L290 A291 K297 E298L290-D294 PolarHBondContact O-N 2.91Å; A291-D294 PolarHBondContact O-N 3.27Å; D294-K297 PolarHBondContact O-N 3.19Å; D294-K297 WeakPolarHBondContact OD1-CE 3.13Å; D294-K297 IonicContact OD1-NZ 3.81Å; D294-K297 PolarHBondContact OD1-NZ 2.7Å; D294-E298 WeakPolarHBondContact O-CG 3.47Å; D294-E298 PolarHBondContact O-N 2.92Å
295K82.8Confident83.5Confident126 Ų12668 Ų6855%0.54837%0.368SS..Hα-helixtrans-64.1-40.7171.6-69.2-74.3156.6-154.50112.7A291 G292 F293 K297 E298 L299A291-K295 PolarHBondContact O-N 2.85Å; G292-K295 WeakPolarHBondContact O-CB 3.37Å; G292-K295 PolarHBondContact O-N 3.34Å; F293-K295 PolarHBondContact O-N 3.48Å; K295-K297 PolarHBondContact O-N 2.88Å; K295-E298 IonicContact NZ-OE1 3.14Å; K295-E298 IonicContact NZ-OE2 3.92Å; K295-E298 PolarHBondContact NZ-OE2 3.29Å; K295-E298 PolarHBondContact O-N 3.24Å; K295-L299 WeakPolarHBondContact O-CG 3.25Å; K295-L299 PolarHBondContact O-N 2.9Å
296F84.5Confident83Confident108 Ų10872.1 Ų72.147%0.47439%0.392SS..Hα-helixtrans-61.4-42.8174.4175-96.6000112.4G292 F293 L299 Y300G292-F296 PolarHBondContact O-N 2.86Å; G292-F296 VanDerWaalsContact O-N 3.15Å; F293-F296 HydrophobicContact CD2-CD1 4.36Å; F293-F296 HydrophobicContact CE1-CD1 4.07Å; F293-F296 AromaticContact CE2-CD1 3.89Å; F293-F296 HydrophobicContact CE2-CD1 3.89Å; F293-F296 HydrophobicContact CE2-CE1 4.34Å; F293-F296 AromaticContact CZ-CD1 3.75Å; F293-F296 HydrophobicContact CZ-CD1 3.75Å; F293-F296 HydrophobicContact CZ-CE1 4.08Å; F293-F296 WeakPolarHBondContact O-CB 3.02Å; F293-F296 PolarHBondContact O-N 3.45Å; F293-F296 VanDerWaalsContact O-N 3.15Å; F296-L299 PolarHBondContact O-N 3.39Å; F296-Y300 PolarHBondContact O-N 3.32Å
297K82.2Confident82.5Confident5 Ų580.5 Ų80.52%0.02242%0.424CS..Hα-helixtrans-64.4-40.2177.7-72.5-176-81.2156.80111.9I8 L19 F293 D294 K295 Y300 A301I8-K297 HydrophobicContact CD1-CB 3.51Å; I8-K297 WeakPolarHBondContact CD1-O 3.38Å; L19-K297 HydrophobicContact CB-CD 4.05Å; L19-K297 HydrophobicContact CB-CG 4.2Å; F293-K297 HydrophobicContact CD1-CD 3.95Å; F293-K297 HydrophobicContact CD1-CG 3.69Å; F293-K297 HydrophobicContact CE1-CD 3.88Å; F293-K297 HydrophobicContact CE1-CG 3.51Å; F293-K297 PolarHBondContact O-N 3.42Å; D294-K297 PolarHBondContact O-N 3.19Å; D294-K297 WeakPolarHBondContact OD1-CE 3.13Å; D294-K297 IonicContact OD1-NZ 3.81Å; D294-K297 PolarHBondContact OD1-NZ 2.7Å; K295-K297 PolarHBondContact O-N 2.88Å; K297-Y300 PolarHBondContact O-N 3.17Å; K297-A301 WeakPolarHBondContact O-CB 3.33Å; K297-A301 PolarHBondContact O-N 2.93Å
298E83.1Confident81.5Confident80 Ų8088.1 Ų88.137%0.37445%0.452SS..Hα-helixtrans-57.4-50.2173.1-73.1171.1-176.500110.7D294 K295 Y300 A301 D302D294-E298 WeakPolarHBondContact O-CG 3.47Å; D294-E298 PolarHBondContact O-N 2.92Å; K295-E298 IonicContact NZ-OE1 3.14Å; K295-E298 IonicContact NZ-OE2 3.92Å; K295-E298 PolarHBondContact NZ-OE2 3.29Å; K295-E298 PolarHBondContact O-N 3.24Å; E298-Y300 PolarHBondContact O-N 3.39Å; E298-A301 WeakPolarHBondContact O-CB 3.37Å; E298-A301 PolarHBondContact O-N 2.79Å; E298-D302 PolarHBondContact O-N 3.39Å
299L85.7Confident80.1Confident116 Ų11691.5 Ų91.561%0.60747%0.465SS*.Hα-helixtrans-61.5-40.8177.5-68.2172.7000113.2K295 F296 A301 D302 F303K295-L299 WeakPolarHBondContact O-CG 3.25Å; K295-L299 PolarHBondContact O-N 2.9Å; F296-L299 PolarHBondContact O-N 3.39Å; L299-A301 VanDerWaalsContact C-N 3.32Å; L299-D302 PolarHBondContact O-N 3.39Å; L299-F303 WeakPolarHBondContact O-CB 3.04Å; L299-F303 PolarHBondContact O-N 3.15Å
300Y85.6Confident78.6Confident73 Ų7394.5 Ų94.529%0.28649%0.488SS..Hα-helixtrans-61.9-42.6175.6173.9-95.5000111.3L11 L19 F296 K297 E298 F303 R304L11-Y300 HydrophobicContact CD1-CD1 4.13Å; L11-Y300 HydrophobicContact CD1-CE1 4.18Å; L11-Y300 HydrophobicContact CD2-CD1 4.46Å; L11-Y300 HydrophobicContact CD2-CE1 4.02Å; L19-Y300 HydrophobicContact CD1-CD1 3.67Å; L19-Y300 HydrophobicContact CD1-CE1 3.87Å; L19-Y300 HydrophobicContact CD2-CD1 4.39Å; F296-Y300 PolarHBondContact O-N 3.32Å; K297-Y300 PolarHBondContact O-N 3.17Å; E298-Y300 PolarHBondContact O-N 3.39Å; Y300-F303 PolarHBondContact O-N 3.08Å; Y300-R304 HydrophobicContact CE1-CB 4.3Å; Y300-R304 HydrophobicContact CE1-CG 4.46Å; Y300-R304 VanDerWaalsContact O-CB 3.23Å; Y300-R304 WeakPolarHBondContact O-CB 3.26Å; Y300-R304 PolarHBondContact O-N 2.97Å
301A84.8Confident77.2Confident3 Ų3100.7 Ų100.73%0.02553%0.532CS..Hα-helixtrans-65.9-42.3177.400000112I8 L11 K297 E298 L299 F303 R304 L305I8-A301 HydrophobicContact CD1-CB 4.06Å; I8-A301 HydrophobicContact CG2-CB 3.57Å; L11-A301 HydrophobicContact CD1-CB 4.46Å; K297-A301 WeakPolarHBondContact O-CB 3.33Å; K297-A301 PolarHBondContact O-N 2.93Å; E298-A301 WeakPolarHBondContact O-CB 3.37Å; E298-A301 PolarHBondContact O-N 2.79Å; L299-A301 VanDerWaalsContact C-N 3.32Å; A301-F303 VanDerWaalsContact C-N 3.27Å; A301-F303 PolarHBondContact O-N 3.26Å; A301-R304 PolarHBondContact O-N 3.16Å; A301-L305 HydrophobicContact CB-CD1 4.24Å; A301-L305 VanDerWaalsContact O-CB 3.22Å; A301-L305 WeakPolarHBondContact O-CB 3.22Å; A301-L305 VanDerWaalsContact O-CG 3.27Å; A301-L305 WeakPolarHBondContact O-CG 3.25Å; A301-L305 PolarHBondContact O-N 3.11Å
302D85.9Confident77Confident114 Ų114102.8 Ų102.861%0.6153%0.534SS*.Hα-helixtrans-63-33.3176.3-70.8-17.6000112.7E298 L299E298-D302 PolarHBondContact O-N 3.39Å; L299-D302 PolarHBondContact O-N 3.39Å
303F86.1Confident76.8Confident179 Ų179105.8 Ų105.879%0.78554%0.538SS*.Hα-helixtrans-74.4-40.4173.9174.7-100000112.5L299 Y300 A301L299-F303 WeakPolarHBondContact O-CB 3.04Å; L299-F303 PolarHBondContact O-N 3.15Å; Y300-F303 PolarHBondContact O-N 3.08Å; A301-F303 VanDerWaalsContact C-N 3.27Å; A301-F303 PolarHBondContact O-N 3.26Å
304R83.5Confident76.5Confident144 Ų144110.4 Ų110.454%0.54356%0.563SS.*Hα-helixtrans-82.2-37.7-172.1-177.963.8-170.5106.6-8.2113.3L11 Y300 A301L11-R304 HydrophobicContact CD2-CG 4.28Å; Y300-R304 HydrophobicContact CE1-CB 4.3Å; Y300-R304 HydrophobicContact CE1-CG 4.46Å; Y300-R304 VanDerWaalsContact O-CB 3.23Å; Y300-R304 WeakPolarHBondContact O-CB 3.26Å; Y300-R304 PolarHBondContact O-N 2.97Å; A301-R304 PolarHBondContact O-N 3.16Å
305L85.3Confident76.3Confident55 Ų55113.7 Ų113.729%0.28858%0.578SS.*SBendtrans-84.1139.4-178.8-60.6175000109.3K9 G10 L11 A301 K307K9-L305 WeakPolarHBondContact O-CD1 3.4Å; G10-L305 WeakPolarHBondContact O-CD2 3.38Å; L11-L305 HydrophobicContact CD2-CD2 4.49Å; A301-L305 HydrophobicContact CB-CD1 4.24Å; A301-L305 VanDerWaalsContact O-CB 3.22Å; A301-L305 WeakPolarHBondContact O-CB 3.22Å; A301-L305 VanDerWaalsContact O-CG 3.27Å; A301-L305 WeakPolarHBondContact O-CG 3.25Å; A301-L305 PolarHBondContact O-N 3.11Å; L305-K307 PolarHBondContact O-N 3.17Å
306P75.4Confident75.9Confident119 Ų119112.9 Ų112.977%0.77358%0.58SS**PPolyproline II helixtrans-58.2130.6173.123.7-30.9000109K308P306-K308 PolarHBondContact O-N 3.11Å
307K70.9Confident75.3Confident192 Ų192113.3 Ų113.384%0.83559%0.587SS**PPolyproline II helixtrans-54.3125.5169.3-68.8-175.6178.6-179.20107.1L305L305-K307 PolarHBondContact O-N 3.17Å
308K61.4Low74.8Confident191 Ų191121 Ų12183%0.8363%0.628SS**PPolyproline II helixtrans-52132.8164.6-89.8-175174.1-176.70106.6P306 S310P306-K308 PolarHBondContact O-N 3.11Å; K308-S310 PolarHBondContact O-N 3.2Å; K308-S310 VanDerWaalsContact O-N 3.11Å
309P52.9Low74.2Confident120 Ų120124.2 Ų124.278%0.77965%0.647SS**PPolyproline II helixtrans-53.7126.1167.521.4-28.6000106.8
310S52.9Low73.2Confident108 Ų108124.8 Ų124.876%0.75565%0.651SS**PPolyproline II helixtrans-53.2136.7170.1-57.20000107.6K308K308-S310 PolarHBondContact O-N 3.2Å; K308-S310 VanDerWaalsContact O-N 3.11Å
311P54.1Low72.1Confident200 Ų200129.5 Ų129.5100%1.29968%0.684SS**  trans-570174.926.2-33.6000111.5

Retrieved 311 of 311 residues in 163.8 ms (Link to these results)

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