G4VFK8_SCHMA Loading...

FH2 domain-containing protein

AlphaFold DB , UniProt , Accession G4VFK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 298 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
1M39Very low54.5Low245 Ų245136.9 Ų136.9100%1.20774%0.736SS**  094.70-61.3178.792.600106.5G3M1-G3 PolarHBondContact O-N 3.04Å; M1-G3 VanDerWaalsContact O-N 3.09Å
2S42.4Very low55.2Low126 Ų126128.4 Ų128.488%0.88169%0.691SS**  trans-76.297.4-177.7-79.10000109.5S4S2-S4 VanDerWaalsContact C-N 3.35Å; S2-S4 PolarHBondContact O-N 3.18Å; S2-S4 VanDerWaalsContact O-N 3.14Å
3G49.3Very low56.1Low66 Ų66124.7 Ų124.768%0.6868%0.675SS**  trans-73.591163.400000108.8M1 N5M1-G3 PolarHBondContact O-N 3.04Å; M1-G3 VanDerWaalsContact O-N 3.09Å; G3-N5 VanDerWaalsContact C-N 3.34Å; G3-N5 PolarHBondContact O-N 2.83Å
4S57.8Low57.3Low79 Ų79126.1 Ų126.155%0.55268%0.675SS**  trans-6995.5165.447.30000107.9S2 F6S2-S4 VanDerWaalsContact C-N 3.35Å; S2-S4 PolarHBondContact O-N 3.18Å; S2-S4 VanDerWaalsContact O-N 3.14Å; S4-F6 VanDerWaalsContact CB-CE2 3.44Å; S4-F6 PolarHBondContact O-N 2.77Å; S4-F6 WeakPolarHBondContact OG-CE2 3.5Å
5N57Low58.4Low162 Ų162121.7 Ų121.787%0.86665%0.648SS**  trans-6880.4166.5-75.5-43.7000108.3G3 R7G3-N5 VanDerWaalsContact C-N 3.34Å; G3-N5 PolarHBondContact O-N 2.83Å; N5-R7 PolarHBondContact O-N 2.7Å; N5-R7 VanDerWaalsContact O-N 3.11Å
6F61Low59.3Low171 Ų171118.1 Ų118.175%0.7563%0.627SS**  trans-66.5109.1164.8-68.9-75.7000106.9S4 L8S4-F6 VanDerWaalsContact CB-CE2 3.44Å; S4-F6 PolarHBondContact O-N 2.77Å; S4-F6 WeakPolarHBondContact OG-CE2 3.5Å; F6-L8 PolarHBondContact O-N 2.83Å
7R59.5Low60.5Low209 Ų209118.9 Ų118.979%0.78963%0.632SS**  trans-70.599.7173-148.3176.7-172.5-178.32.2105.6N5 L9N5-R7 PolarHBondContact O-N 2.7Å; N5-R7 VanDerWaalsContact O-N 3.11Å; R7-L9 HydrophobicContact CB-CD1 4.41Å; R7-L9 HydrophobicContact CB-CG 4.17Å; R7-L9 HydrophobicContact CG-CD1 4.38Å; R7-L9 HydrophobicContact CG-CD2 4.18Å; R7-L9 HydrophobicContact CG-CG 3.94Å; R7-L9 PolarHBondContact O-N 2.94Å
8L61.7Low61.7Low78 Ų78120.3 Ų120.341%0.40863%0.631SS.*  trans-64.586.4166.8-112.982.9000106.9F6 D10 L25 V26 L29F6-L8 PolarHBondContact O-N 2.83Å; L8-D10 PolarHBondContact O-N 3.08Å; L8-L25 HydrophobicContact CD2-CB 4.44Å; L8-L25 HydrophobicContact CD2-CD2 4.02Å; L8-L25 HydrophobicContact CD2-CG 4.16Å; L8-L25 HydrophobicContact CG-CD2 4.42Å; L8-V26 HydrophobicContact CD2-CG2 3.88Å; L8-L29 HydrophobicContact CD1-CD1 3.66Å; L8-L29 HydrophobicContact CD1-CD2 4.17Å; L8-L29 HydrophobicContact CD1-CG 4.47Å; L8-L29 HydrophobicContact CD2-CD1 3.83Å; L8-L29 HydrophobicContact CG-CD1 4.4Å
9L57.4Low62.7Low119 Ų119119.6 Ų119.662%0.62362%0.62SS**  trans-89.699.4173.2-73.8167.2000106.6R7 D11R7-L9 HydrophobicContact CB-CD1 4.41Å; R7-L9 HydrophobicContact CB-CG 4.17Å; R7-L9 HydrophobicContact CG-CD1 4.38Å; R7-L9 HydrophobicContact CG-CD2 4.18Å; R7-L9 HydrophobicContact CG-CG 3.94Å; R7-L9 PolarHBondContact O-N 2.94Å; L9-D11 PolarHBondContact O-N 3.2Å
10D55.3Low63.5Low134 Ų134118.8 Ų118.872%0.71762%0.623SS**SBendtrans48.816144.2-146.218.9000120L8 D12L8-D10 PolarHBondContact O-N 3.08Å; D10-D12 PolarHBondContact O-N 3.3Å
11D59.2Low64.3Low117 Ų117119 Ų11963%0.62663%0.625SS**THydrogen-bonded Turntrans-81.72.4174.4-115.6-4.9000112.7L9 T13L9-D11 PolarHBondContact O-N 3.2Å; D11-T13 PolarHBondContact O-N 3.3Å
12D62.6Low66.2Low35 Ų35109.2 Ų109.219%0.18759%0.586CS.*Hα-helixtrans-64.8-19.9178.8-80.818.7000112.2D10 F15 M16 L25D10-D12 PolarHBondContact O-N 3.3Å; D12-F15 PolarHBondContact O-N 3.35Å; D12-M16 WeakPolarHBondContact O-CB 3.46Å; D12-M16 WeakPolarHBondContact O-CG 3.35Å; D12-M16 PolarHBondContact O-N 2.84Å; D12-L25 WeakPolarHBondContact OD1-CB 3.27Å; D12-L25 WeakPolarHBondContact OD1-CD2 3.39Å
13T66.9Low68Low80 Ų80107.5 Ų107.549%0.49157%0.567SS.*Hα-helixtrans-62.2-50.2-179.454.40000112.1D11 F15 M16 D17D11-T13 PolarHBondContact O-N 3.3Å; T13-F15 VanDerWaalsContact C-N 3.29Å; T13-F15 PolarHBondContact O-N 2.71Å; T13-M16 PolarHBondContact O-N 3.14Å; T13-D17 VanDerWaalsContact O-CG 3.25Å; T13-D17 PolarHBondContact O-N 3.21Å
14Q73.4Confident69.6Low144 Ų144105.8 Ų105.867%0.67354%0.544SS*.Hα-helixtrans-65.7-34.2177.6-65.5-165.514.900112.4K18Q14-K18 WeakPolarHBondContact O-CB 3.22Å; Q14-K18 PolarHBondContact O-N 3.35Å; Q14-K18 VanDerWaalsContact O-N 3.1Å
15F73.5Confident70.7Confident60 Ų60104.2 Ų104.226%0.26353%0.529SS..Hα-helixtrans-68.6-43.1178.2-171.7-87.8000111.3D12 T13 K18 Y19 L23 L28D12-F15 PolarHBondContact O-N 3.35Å; T13-F15 VanDerWaalsContact C-N 3.29Å; T13-F15 PolarHBondContact O-N 2.71Å; F15-K18 PolarHBondContact O-N 3.32Å; F15-Y19 HydrophobicContact CD1-CD2 4.47Å; F15-Y19 HydrophobicContact CD2-CD2 4.09Å; F15-Y19 HydrophobicContact CD2-CE2 4.36Å; F15-Y19 HydrophobicContact CE1-CD2 4.18Å; F15-Y19 AromaticContact CE2-CD2 3.8Å; F15-Y19 HydrophobicContact CE2-CD2 3.8Å; F15-Y19 AromaticContact CE2-CE2 3.98Å; F15-Y19 HydrophobicContact CE2-CE2 3.98Å; F15-Y19 HydrophobicContact CG-CD2 4.43Å; F15-Y19 AromaticContact CZ-CD2 3.85Å; F15-Y19 HydrophobicContact CZ-CD2 3.85Å; F15-Y19 HydrophobicContact CZ-CE2 4.38Å; F15-Y19 PolarHBondContact O-N 3.38Å; F15-L23 VanDerWaalsContact CE1-O 3.26Å; F15-L23 WeakPolarHBondContact CE1-O 3.45Å; F15-L28 HydrophobicContact CZ-CD2 4.43Å
16M73.5Confident71.9Confident65 Ų65100.5 Ų100.532%0.3251%0.512SS..Hα-helixtrans-65.3-37.7175.4-69.3-67.795.500112.4D12 T13 K18 Y19 P20 L23D12-M16 WeakPolarHBondContact O-CB 3.46Å; D12-M16 WeakPolarHBondContact O-CG 3.35Å; D12-M16 PolarHBondContact O-N 2.84Å; T13-M16 PolarHBondContact O-N 3.14Å; M16-K18 VanDerWaalsContact C-N 3.35Å; M16-K18 PolarHBondContact O-N 2.96Å; M16-Y19 CarbonylContact O-C 3.59Å; M16-Y19 VanDerWaalsContact O-C 3.24Å; M16-Y19 PolarHBondContact O-N 3.16Å; M16-P20 WeakPolarHBondContact O-CA 3.42Å; M16-L23 WeakPolarHBondContact CE-O 3.26Å
17D80Confident73Confident132 Ų13296.4 Ų96.471%0.70650%0.498SS*.Hα-helixtrans-65.4-38.8175.9-71.4-22.1000112T13T13-D17 VanDerWaalsContact O-CG 3.25Å; T13-D17 PolarHBondContact O-N 3.21Å
18K81.6Confident74.2Confident143 Ų14388 Ų8862%0.62247%0.469SS*.Hα-helixtrans-76.6-31.9179.2-169.4162.3-177.4-97.70112.9Q14 F15 M16Q14-K18 WeakPolarHBondContact O-CB 3.22Å; Q14-K18 PolarHBondContact O-N 3.35Å; Q14-K18 VanDerWaalsContact O-N 3.1Å; F15-K18 PolarHBondContact O-N 3.32Å; M16-K18 VanDerWaalsContact C-N 3.35Å; M16-K18 PolarHBondContact O-N 2.96Å
19Y79.7Confident75.2Confident107 Ų10787.2 Ų87.242%0.4247%0.465SS..  trans-128.972.7-178.6-57.9-75.4000110.5F15 M16 N21 G22F15-Y19 HydrophobicContact CD1-CD2 4.47Å; F15-Y19 HydrophobicContact CD2-CD2 4.09Å; F15-Y19 HydrophobicContact CD2-CE2 4.36Å; F15-Y19 HydrophobicContact CE1-CD2 4.18Å; F15-Y19 AromaticContact CE2-CD2 3.8Å; F15-Y19 HydrophobicContact CE2-CD2 3.8Å; F15-Y19 AromaticContact CE2-CE2 3.98Å; F15-Y19 HydrophobicContact CE2-CE2 3.98Å; F15-Y19 HydrophobicContact CG-CD2 4.43Å; F15-Y19 AromaticContact CZ-CD2 3.85Å; F15-Y19 HydrophobicContact CZ-CD2 3.85Å; F15-Y19 HydrophobicContact CZ-CE2 4.38Å; F15-Y19 PolarHBondContact O-N 3.38Å; M16-Y19 CarbonylContact O-C 3.59Å; M16-Y19 VanDerWaalsContact O-C 3.24Å; M16-Y19 PolarHBondContact O-N 3.16Å; Y19-N21 PolarHBondContact O-N 3.35Å; Y19-G22 WeakPolarHBondContact O-CA 3.44Å; Y19-G22 PolarHBondContact O-N 3.16Å
20P78.9Confident76.6Confident104 Ų10485.3 Ų85.368%0.67546%0.459SS*.THydrogen-bonded Turntrans-65.2-16.9-176.725.6-35.5000113.4M16M16-P20 WeakPolarHBondContact O-CA 3.42Å
21N81.8Confident78Confident124 Ų12482.9 Ų82.966%0.66344%0.442SS*.THydrogen-bonded Turntrans-106.26.5173.2-66.3-70.7000113Y19 R57Y19-N21 PolarHBondContact O-N 3.35Å; N21-R57 PolarHBondContact OD1-NH1 3.47Å
22G78.7Confident79.4Confident38 Ų3882.9 Ų82.939%0.39243%0.434SS..SBendtrans-78.7167.4-179.100000112.8Y19Y19-G22 WeakPolarHBondContact O-CA 3.44Å; Y19-G22 PolarHBondContact O-N 3.16Å
23L79.8Confident80.5Confident91 Ų9185.3 Ų85.348%0.47645%0.447SS..PPolyproline II helixtrans-74.9149.8167.3-66.7175.1000109.7F15 M16 D27 I62F15-L23 VanDerWaalsContact CE1-O 3.26Å; F15-L23 WeakPolarHBondContact CE1-O 3.45Å; M16-L23 WeakPolarHBondContact CE-O 3.26Å; L23-D27 HydrophobicContact CB-CB 4.17Å; L23-I62 HydrophobicContact CD1-CD1 4.35Å
24S82.1Confident81.5Confident29 Ų2982.8 Ų82.820%0.20343%0.433CS..PPolyproline II helixtrans-62.3156.517373.30000110.8V26 D27 L28S24-V26 PolarHBondContact O-N 3.39Å; S24-D27 PolarHBondContact O-N 3.45Å; S24-D27 VanDerWaalsContact O-N 3.07Å; S24-D27 PolarHBondContact OG-N 3.16Å; S24-D27 PolarHBondContact OG-OD2 3.29Å; S24-L28 PolarHBondContact O-N 3.21Å; S24-L28 VanDerWaalsContact O-N 3.15Å
25L80.4Confident82.1Confident47 Ų4779.5 Ų79.525%0.24642%0.419CS..Hα-helixtrans-60.2-38.7178.5-174.260.1000110.4L8 D12 D27 L28 L29L8-L25 HydrophobicContact CD2-CB 4.44Å; L8-L25 HydrophobicContact CD2-CD2 4.02Å; L8-L25 HydrophobicContact CD2-CG 4.16Å; L8-L25 HydrophobicContact CG-CD2 4.42Å; D12-L25 WeakPolarHBondContact OD1-CB 3.27Å; D12-L25 WeakPolarHBondContact OD1-CD2 3.39Å; L25-D27 VanDerWaalsContact C-N 3.27Å; L25-D27 PolarHBondContact O-N 3.01Å; L25-L28 CarbonylContact O-C 3.55Å; L25-L28 WeakPolarHBondContact O-CA 3.26Å; L25-L28 WeakPolarHBondContact O-CB 3.43Å; L25-L28 PolarHBondContact O-N 2.96Å; L25-L29 WeakPolarHBondContact O-CG 3.21Å; L25-L29 PolarHBondContact O-N 2.81Å
26V82.6Confident82.8Confident84 Ų8480.5 Ų80.551%0.50943%0.434SS..Hα-helixtrans-54.9-41.6175.1-178.60000111.9L8 S24 L28L8-V26 HydrophobicContact CD2-CG2 3.88Å; S24-V26 PolarHBondContact O-N 3.39Å; V26-L28 VanDerWaalsContact C-N 3.3Å; V26-L28 PolarHBondContact O-N 2.96Å
27D84Confident83.6Confident84 Ų8484.5 Ų84.545%0.44945%0.45SS..Hα-helixtrans-73.2-23.7177.8-63.1-43.2000112.8L23 S24 L25 P30L23-D27 HydrophobicContact CB-CB 4.17Å; S24-D27 PolarHBondContact O-N 3.45Å; S24-D27 VanDerWaalsContact O-N 3.07Å; S24-D27 PolarHBondContact OG-N 3.16Å; S24-D27 PolarHBondContact OG-OD2 3.29Å; L25-D27 VanDerWaalsContact C-N 3.27Å; L25-D27 PolarHBondContact O-N 3.01Å; D27-P30 WeakPolarHBondContact O-CD 3.46Å
28L84.3Confident83.8Confident34 Ų3485.3 Ų85.318%0.17845%0.454CS..Hα-helixtrans-87.1-22.1-179.1-154.862.2000112.5F15 S24 L25 V26 F31 Y32F15-L28 HydrophobicContact CZ-CD2 4.43Å; S24-L28 PolarHBondContact O-N 3.21Å; S24-L28 VanDerWaalsContact O-N 3.15Å; L25-L28 CarbonylContact O-C 3.55Å; L25-L28 WeakPolarHBondContact O-CA 3.26Å; L25-L28 WeakPolarHBondContact O-CB 3.43Å; L25-L28 PolarHBondContact O-N 2.96Å; V26-L28 VanDerWaalsContact C-N 3.3Å; V26-L28 PolarHBondContact O-N 2.96Å; L28-F31 HydrophobicContact CD1-CD1 4.37Å; L28-F31 WeakPolarHBondContact O-CB 3.32Å; L28-F31 PolarHBondContact O-N 3.22Å; L28-F31 VanDerWaalsContact O-N 3.1Å; L28-Y32 HydrophobicContact CB-CD2 4.37Å; L28-Y32 HydrophobicContact CB-CE2 4.08Å; L28-Y32 HydrophobicContact CD2-CD2 4.4Å; L28-Y32 HydrophobicContact CD2-CE2 3.4Å; L28-Y32 WeakPolarHBondContact CD2-OH 3.27Å; L28-Y32 HydrophobicContact CG-CD2 3.98Å; L28-Y32 HydrophobicContact CG-CE2 3.43Å; L28-Y32 VanDerWaalsContact CG-CE2 3.43Å; L28-Y32 WeakPolarHBondContact O-CD2 2.98Å; L28-Y32 PolarHBondContact O-N 3.34Å; L28-Y32 VanDerWaalsContact O-N 3.15Å
29L84.7Confident84Confident61 Ų6183.5 Ų83.532%0.31945%0.448SS..Hα-helixtrans-53.8-46.9179.4-72.5174000114L8 L25 F31 Y32 D33L8-L29 HydrophobicContact CD1-CD1 3.66Å; L8-L29 HydrophobicContact CD1-CD2 4.17Å; L8-L29 HydrophobicContact CD1-CG 4.47Å; L8-L29 HydrophobicContact CD2-CD1 3.83Å; L8-L29 HydrophobicContact CG-CD1 4.4Å; L25-L29 WeakPolarHBondContact O-CG 3.21Å; L25-L29 PolarHBondContact O-N 2.81Å; L29-F31 PolarHBondContact O-N 3.42Å; L29-Y32 PolarHBondContact O-N 3.3Å; L29-Y32 VanDerWaalsContact O-N 3.15Å; L29-D33 PolarHBondContact O-N 2.82Å
30P86.2Confident84.1Confident79 Ų7984.1 Ų84.151%0.51347%0.465SS..Hα-helixtrans-58.5-35.5178.4-2434.8000112.7D27 D33 S34D27-P30 WeakPolarHBondContact O-CD 3.46Å; P30-D33 PolarHBondContact O-N 3.06Å; P30-S34 PolarHBondContact O-N 3.03Å; P30-S34 PolarHBondContact O-OG 3.25Å
31F85.1Confident84.2Confident82 Ų8282.5 Ų82.536%0.3645%0.45SS..Hα-helixtrans-67.6-44.6177.5175.9-102.2000111.6L28 L29 D33 S34 I35 L41 L43L28-F31 HydrophobicContact CD1-CD1 4.37Å; L28-F31 WeakPolarHBondContact O-CB 3.32Å; L28-F31 PolarHBondContact O-N 3.22Å; L28-F31 VanDerWaalsContact O-N 3.1Å; L29-F31 PolarHBondContact O-N 3.42Å; F31-D33 VanDerWaalsContact C-N 3.34Å; F31-D33 PolarHBondContact O-N 3.18Å; F31-S34 PolarHBondContact O-N 3.18Å; F31-I35 HydrophobicContact CD1-CD1 3.64Å; F31-I35 HydrophobicContact CE1-CD1 3.2Å; F31-I35 HydrophobicContact CE1-CG1 4.3Å; F31-I35 HydrophobicContact CE2-CD1 4.29Å; F31-I35 HydrophobicContact CG-CD1 4.36Å; F31-I35 HydrophobicContact CZ-CD1 3.57Å; F31-I35 HydrophobicContact CZ-CG1 4.34Å; F31-I35 WeakPolarHBondContact O-CG1 3.16Å; F31-I35 PolarHBondContact O-N 3.33Å; F31-L41 HydrophobicContact CD2-CD1 4.43Å; F31-L41 HydrophobicContact CD2-CD2 3.95Å; F31-L41 HydrophobicContact CE2-CD1 3.75Å; F31-L41 HydrophobicContact CE2-CD2 4Å; F31-L41 HydrophobicContact CE2-CG 4.42Å; F31-L41 HydrophobicContact CZ-CD1 4.2Å; F31-L43 HydrophobicContact CE2-CD2 4.45Å
32Y86.8Confident84.2Confident117 Ų11786.6 Ų86.646%0.45946%0.462SS..Hα-helixtrans-64.6-38175-71.8-58.1000112.7L28 L29 I35 S36L28-Y32 HydrophobicContact CB-CD2 4.37Å; L28-Y32 HydrophobicContact CB-CE2 4.08Å; L28-Y32 HydrophobicContact CD2-CD2 4.4Å; L28-Y32 HydrophobicContact CD2-CE2 3.4Å; L28-Y32 WeakPolarHBondContact CD2-OH 3.27Å; L28-Y32 HydrophobicContact CG-CD2 3.98Å; L28-Y32 HydrophobicContact CG-CE2 3.43Å; L28-Y32 VanDerWaalsContact CG-CE2 3.43Å; L28-Y32 WeakPolarHBondContact O-CD2 2.98Å; L28-Y32 PolarHBondContact O-N 3.34Å; L28-Y32 VanDerWaalsContact O-N 3.15Å; L29-Y32 PolarHBondContact O-N 3.3Å; L29-Y32 VanDerWaalsContact O-N 3.15Å; Y32-I35 HydrophobicContact CD1-CD1 4.36Å; Y32-I35 PolarHBondContact O-N 3.46Å; Y32-S36 WeakPolarHBondContact O-CB 3.34Å; Y32-S36 PolarHBondContact O-N 3.16Å
33D87.4Confident84.4Confident86 Ų8690.4 Ų90.446%0.4647%0.473SS..Hα-helixtrans-61.1-44.7174.6-85.2-0.9000111.3L29 P30 F31 S36 K37L29-D33 PolarHBondContact O-N 2.82Å; P30-D33 PolarHBondContact O-N 3.06Å; F31-D33 VanDerWaalsContact C-N 3.34Å; F31-D33 PolarHBondContact O-N 3.18Å; D33-S36 PolarHBondContact O-N 3.08Å; D33-S36 PolarHBondContact O-OG 3.49Å; D33-K37 WeakPolarHBondContact O-CG 3.42Å; D33-K37 PolarHBondContact O-N 3.36Å; D33-K37 VanDerWaalsContact O-N 3.16Å
34S86.7Confident84.6Confident28 Ų2894.2 Ų94.220%0.19649%0.488CS..Hα-helixtrans-64.9-39.9175.8-73.70000112.6P30 F31 K37 N38 E39P30-S34 PolarHBondContact O-N 3.03Å; P30-S34 PolarHBondContact O-OG 3.25Å; F31-S34 PolarHBondContact O-N 3.18Å; S34-K37 PolarHBondContact O-N 3.41Å; S34-N38 PolarHBondContact O-N 3.5Å; S34-E39 WeakPolarHBondContact O-CB 3.42Å; S34-E39 PolarHBondContact O-N 2.85Å; S34-E39 PolarHBondContact OG-OE2 2.9Å
35I86.8Confident84.4Confident74 Ų74103.9 Ų103.938%0.37952%0.52SS..Hα-helixtrans-60.2-47.5173.1-68.1166.8000110.6F31 Y32 K37 N38 L41F31-I35 HydrophobicContact CD1-CD1 3.64Å; F31-I35 HydrophobicContact CE1-CD1 3.2Å; F31-I35 HydrophobicContact CE1-CG1 4.3Å; F31-I35 HydrophobicContact CE2-CD1 4.29Å; F31-I35 HydrophobicContact CG-CD1 4.36Å; F31-I35 HydrophobicContact CZ-CD1 3.57Å; F31-I35 HydrophobicContact CZ-CG1 4.34Å; F31-I35 WeakPolarHBondContact O-CG1 3.16Å; F31-I35 PolarHBondContact O-N 3.33Å; Y32-I35 HydrophobicContact CD1-CD1 4.36Å; Y32-I35 PolarHBondContact O-N 3.46Å; I35-K37 PolarHBondContact O-N 3.16Å; I35-N38 PolarHBondContact O-N 2.9Å; I35-L41 HydrophobicContact CD1-CD1 4.4Å; I35-L41 HydrophobicContact CG1-CD1 3.63Å
36S88.6Confident84.4Confident82 Ų82106.9 Ų106.957%0.57354%0.541SS*.Hα-helixtrans-61.9-28.4-177.376.50000112.9Y32 D33 N38Y32-S36 WeakPolarHBondContact O-CB 3.34Å; Y32-S36 PolarHBondContact O-N 3.16Å; D33-S36 PolarHBondContact O-N 3.08Å; D33-S36 PolarHBondContact O-OG 3.49Å; S36-N38 VanDerWaalsContact C-N 3.34Å
37K89.6Confident83.8Confident148 Ų148108.3 Ų108.364%0.64355%0.553SS**THydrogen-bonded Turntrans-88.92.5177.9-67.9169.4-172.2162.90113.4D33 S34 I35 E39D33-K37 WeakPolarHBondContact O-CG 3.42Å; D33-K37 PolarHBondContact O-N 3.36Å; D33-K37 VanDerWaalsContact O-N 3.16Å; S34-K37 PolarHBondContact O-N 3.41Å; I35-K37 PolarHBondContact O-N 3.16Å; K37-E39 PolarHBondContact O-N 3.18Å
38N83.2Confident83.4Confident149 Ų149110.5 Ų110.580%0.79757%0.572SS**THydrogen-bonded Turntrans53.135.3-172.2-58.7-63.3000112.7S34 I35 S36S34-N38 PolarHBondContact O-N 3.5Å; I35-N38 PolarHBondContact O-N 2.9Å; S36-N38 VanDerWaalsContact C-N 3.34Å
39E85.6Confident82.7Confident105 Ų105111.4 Ų111.449%0.49159%0.589SS.*  trans-74.9138.3177.8-167.8177.4-173.500110.1S34 K37 L41S34-E39 WeakPolarHBondContact O-CB 3.42Å; S34-E39 PolarHBondContact O-N 2.85Å; S34-E39 PolarHBondContact OG-OE2 2.9Å; K37-E39 PolarHBondContact O-N 3.18Å; E39-L41 PolarHBondContact O-N 3.3Å
40P83Confident81.7Confident120 Ų120118.8 Ų118.878%0.77962%0.619SS**  trans-63.8112176.924.5-33.4000110.9
41L81.5Confident80.4Confident71 Ų71120.9 Ų120.937%0.37262%0.624SS.*  trans-81.1126.5177.8-65.3163.5000110.4F31 I35 E39 L43F31-L41 HydrophobicContact CD2-CD1 4.43Å; F31-L41 HydrophobicContact CD2-CD2 3.95Å; F31-L41 HydrophobicContact CE2-CD1 3.75Å; F31-L41 HydrophobicContact CE2-CD2 4Å; F31-L41 HydrophobicContact CE2-CG 4.42Å; F31-L41 HydrophobicContact CZ-CD1 4.2Å; I35-L41 HydrophobicContact CD1-CD1 4.4Å; I35-L41 HydrophobicContact CG1-CD1 3.63Å; E39-L41 PolarHBondContact O-N 3.3Å; L41-L43 PolarHBondContact O-N 2.94Å
42K81.9Confident79.1Confident210 Ų210122.3 Ų122.391%0.91364%0.636SS**  trans-84.8104.3166.6-69.6-179.1-177.5174.20108.5
43L81.3Confident77.9Confident118 Ų118122.4 Ų122.462%0.61865%0.651SS**  trans-90.8123.5173-62.3175.4000109.3F31 L41F31-L43 HydrophobicContact CE2-CD2 4.45Å; L41-L43 PolarHBondContact O-N 2.94Å
44E84.2Confident76.5Confident171 Ų171125.7 Ų125.780%0.79967%0.668SS**  trans-99.6116.4169.1-173176.7178.500108.8V46E44-V46 HydrophobicContact CG-CG2 4.1Å
45W79Confident75.2Confident231 Ų231128.9 Ų128.988%0.87569%0.686SS**  trans-89.5108170-72.594.3000108.6
46V79.6Confident73.5Confident111 Ų111134.1 Ų134.167%0.67371%0.709SS**  trans-90.1121.8172.1-175.10000108.3E44E44-V46 HydrophobicContact CG-CG2 4.1Å
47C69.5Low72Confident113 Ų113138.4 Ų138.476%0.76471%0.713SS**  trans-57.1131.6172.7-73.70000109.4G49C47-G49 PolarHBondContact O-N 3.42Å
48P76.2Confident70.3Confident131 Ų131139.9 Ų139.985%0.85172%0.722SS**  trans-64.598.4176.825.5-32.1000109
49G70.5Confident68.7Low52 Ų52138.6 Ų138.654%0.53672%0.719SS.*  trans-67.5164.616900000110.4C47 I51C47-G49 PolarHBondContact O-N 3.42Å; G49-I51 PolarHBondContact O-N 3.38Å
50K63.8Low67Low216 Ų216139.9 Ų139.994%0.93974%0.735SS**  trans-65.289.3167.8-62-65.6-176.8179.70107.8D52K50-D52 PolarHBondContact O-N 2.9Å
51I58Low65.3Low123 Ų123143 Ų14363%0.63174%0.736SS**  trans-69.1115.1170.4-61.6169.7000105.6G49G49-I51 PolarHBondContact O-N 3.38Å
52D57.3Low63.9Low112 Ų112145 Ų14560%0.59975%0.746SS**  trans-61.2125.9170.1-109-34.8000107.9K50 N54 V55K50-D52 PolarHBondContact O-N 2.9Å; D52-N54 PolarHBondContact O-N 3.21Å; D52-V55 HydrophobicContact CB-CG2 3.81Å; D52-V55 PolarHBondContact O-N 2.84Å
53P62.8Low62.1Low120 Ų120144.5 Ų144.578%0.77974%0.738SS**THydrogen-bonded Turntrans-62.6-11.9-176.723.7-32.5000113.4
54N57.3Low60.3Low155 Ų155144.5 Ų144.583%0.82974%0.743SS**THydrogen-bonded Turntrans-95.7-3.3178.1-76.7-42.4000114.6D52 Q56D52-N54 PolarHBondContact O-N 3.21Å; N54-Q56 PolarHBondContact O-N 3Å
55V59Low58.5Low94 Ų94143.1 Ų143.157%0.5774%0.737SS**SBendtrans-83.2100.6173.1-177.10000107.2D52 R57D52-V55 HydrophobicContact CB-CG2 3.81Å; D52-V55 PolarHBondContact O-N 2.84Å; V55-R57 PolarHBondContact O-N 3.33Å
56Q51.2Low56.8Low184 Ų184137.7 Ų137.786%0.8673%0.729SS**  trans-48.4116.7162.6-89.5-179.625.600107.1N54 E58N54-Q56 PolarHBondContact O-N 3Å; Q56-E58 VanDerWaalsContact C-N 3.34Å; Q56-E58 PolarHBondContact O-N 2.94Å
57R57Low54.9Low173 Ų173139.6 Ų139.665%0.65374%0.736SS**  trans-56.499.9175.8-67.9179.5-175.9136.9-0.2107.4N21 V55 T59N21-R57 PolarHBondContact OD1-NH1 3.47Å; V55-R57 PolarHBondContact O-N 3.33Å; R57-T59 PolarHBondContact O-N 2.86Å
58E53.7Low53.7Low179 Ų179140.9 Ų140.984%0.83674%0.735SS**  trans-59.6113.5160.1-77.8-174165.600105.6Q56 T60Q56-E58 VanDerWaalsContact C-N 3.34Å; Q56-E58 PolarHBondContact O-N 2.94Å; E58-T60 PolarHBondContact O-N 3.31Å
59T50.8Low52Low121 Ų121141.5 Ų141.574%0.74273%0.731SS**  trans-36.1109.3174.7450000109.5R57 K61R57-T59 PolarHBondContact O-N 2.86Å; T59-K61 PolarHBondContact O-N 3.37Å
60T49.5Very low50.5Low132 Ų132144.1 Ų144.181%0.8174%0.739SS**  trans-61.796.1169.1-48.10000105.8E58 I62E58-T60 PolarHBondContact O-N 3.31Å; T60-I62 VanDerWaalsContact C-N 3.34Å; T60-I62 PolarHBondContact O-N 3.16Å
61K48.1Very low49.2Very low187 Ų187139.6 Ų139.681%0.81373%0.729SS**  trans-57.6104.2168.3-84-175.6175.4-177.70106T59 R63T59-K61 PolarHBondContact O-N 3.37Å; K61-R63 PolarHBondContact O-N 3Å
62I50.5Low48.5Very low112 Ų112139.1 Ų139.157%0.57473%0.734SS**  trans-56.3107.1169-56171.9000105L23 T60 T64L23-I62 HydrophobicContact CD1-CD1 4.35Å; T60-I62 VanDerWaalsContact C-N 3.34Å; T60-I62 PolarHBondContact O-N 3.16Å; I62-T64 PolarHBondContact O-N 2.81Å
63R44.3Very low47.6Very low199 Ų199143.4 Ų143.475%0.75175%0.747SS**  trans-71.595.2-179.9-179.9177.7169.1134-5.1107.3K61 E65K61-R63 PolarHBondContact O-N 3Å; R63-E65 HydrophobicContact CG-CG 3.94Å; R63-E65 IonicContact CZ-OE1 3.24Å; R63-E65 VanDerWaalsContact CZ-OE1 3.24Å; R63-E65 IonicContact NE-OE1 2.8Å; R63-E65 PolarHBondContact NE-OE1 3.03Å; R63-E65 IonicContact NH2-OE1 2.84Å; R63-E65 PolarHBondContact NH2-OE1 3.32Å; R63-E65 PolarHBondContact O-N 2.89Å
64T43.1Very low46.8Very low118 Ų118143.4 Ų143.472%0.72475%0.745SS**  trans-67.196.1167.6-38.90000107.7I62 T66I62-T64 PolarHBondContact O-N 2.81Å; T64-T66 PolarHBondContact O-N 3.07Å; T64-T66 VanDerWaalsContact O-N 3.11Å
65E47.1Very low46.1Very low142 Ų142140.5 Ų140.566%0.66474%0.736SS**  trans-78.289.8169.7-66.7-151.8146.600109R63 N67R63-E65 HydrophobicContact CG-CG 3.94Å; R63-E65 IonicContact CZ-OE1 3.24Å; R63-E65 VanDerWaalsContact CZ-OE1 3.24Å; R63-E65 IonicContact NE-OE1 2.8Å; R63-E65 PolarHBondContact NE-OE1 3.03Å; R63-E65 IonicContact NH2-OE1 2.84Å; R63-E65 PolarHBondContact NH2-OE1 3.32Å; R63-E65 PolarHBondContact O-N 2.89Å; E65-N67 PolarHBondContact O-N 2.79Å
66T43.6Very low45Very low117 Ų117145.2 Ų145.272%0.71875%0.752SS**  trans-71.7117.2163.3-45.20000108T64 D68T64-T66 PolarHBondContact O-N 3.07Å; T64-T66 VanDerWaalsContact O-N 3.11Å; T66-D68 PolarHBondContact O-N 3.01Å
67N38.7Very low44.5Very low151 Ų151141 Ų14181%0.80774%0.743SS**  trans-63.7111.2176.6-125.1-50000109.9E65E65-N67 PolarHBondContact O-N 2.79Å
68D44.4Very low44Very low141 Ų141140.3 Ų140.375%0.75475%0.752SS**  trans-147.683.5159.9-99-32.4000109.6T66T66-D68 PolarHBondContact O-N 3.01Å
69N40.5Very low43.6Very low143 Ų143138.3 Ų138.377%0.76575%0.752SS**  trans57.6160.4141.6-86.7-43.6000120.5
70P40Very low43.3Very low108 Ų108137.5 Ų137.570%0.70175%0.751SS**  -100.8169-11837.7-38.4000115.5
71V36.7Very low43.1Very low120 Ų120138.3 Ų138.373%0.72775%0.749SS**  trans93.4111.7166-168.40000114.7
72P42.7Very low43.2Very low113 Ų113134.6 Ų134.673%0.73474%0.741SS**  -132121.812035.4-24.4000111.5V74P72-V74 HydrophobicContact CB-CG2 4.18Å; P72-V74 PolarHBondContact O-N 3.07Å
73K38.7Very low43.2Very low203 Ų203139 Ų13988%0.88376%0.757SS**  trans-59.4101.4154.5-72.9175.4176.3175.60107.2
74V45.2Very low43.8Very low120 Ų120136.6 Ų136.673%0.72776%0.758SS**  trans-125.197.7160.3-172.20000107P72P72-V74 HydrophobicContact CB-CG2 4.18Å; P72-V74 PolarHBondContact O-N 3.07Å
75S42.8Very low44.6Very low93 Ų93140.2 Ų140.265%0.6576%0.764SS**  trans-45.9126.3169.937.20000112.9S77S75-S77 PolarHBondContact O-N 3.01Å
76E37.5Very low45.5Very low193 Ų193142 Ų14290%0.90277%0.772SS**  trans31.889.6131.8-67.3172.7171.200116.2
77S39.9Very low46.5Very low95 Ų95144.3 Ų144.366%0.66477%0.772SS**  trans-148.547.3153.551.50000111.2S75 T79S75-S77 PolarHBondContact O-N 3.01Å; S77-T79 PolarHBondContact O-N 2.82Å
78L45.8Very low47.9Very low160 Ų160142.9 Ų142.984%0.83877%0.765SS**  trans-87.760.7161.4-72.3170.9000109.3
79T45.2Very low48.9Very low137 Ų137144.2 Ų144.284%0.8476%0.764SS**  trans-124.942.5173.449.30000110.7S77S77-T79 PolarHBondContact O-N 2.82Å
80S45.3Very low49.9Very low104 Ų104143.9 Ų143.973%0.72776%0.762SS**  trans-1444416365.50000110.7V82S80-V82 VanDerWaalsContact C-N 3.31Å; S80-V82 PolarHBondContact O-N 3.19Å
81I44.4Very low50.1Low148 Ų148147.7 Ų147.776%0.75977%0.771SS**  trans-60.1105.7156.9-66.2170.3000105.4K83I81-K83 PolarHBondContact O-N 3.05Å
82V51.9Low50.8Low109 Ų109146.2 Ų146.266%0.66177%0.765SS**  trans-37.2116.3166.9173.80000107.1S80 L84S80-V82 VanDerWaalsContact C-N 3.31Å; S80-V82 PolarHBondContact O-N 3.19Å; V82-L84 HydrophobicContact CG1-CD2 4.34Å; V82-L84 PolarHBondContact O-N 3.35Å
83K50.7Low51.1Low206 Ų206146.2 Ų146.290%0.89677%0.766SS**  trans-55.380.9171.2-84.9175.2171.4172.50108.6I81 K85I81-K83 PolarHBondContact O-N 3.05Å; K83-K85 PolarHBondContact O-N 2.9Å
84L56.3Low51.5Low148 Ų148143.4 Ų143.478%0.77576%0.76SS**  trans-70.298.2159.2-67.2179.8000104V82 E86V82-L84 HydrophobicContact CG1-CD2 4.34Å; V82-L84 PolarHBondContact O-N 3.35Å; L84-E86 VanDerWaalsContact C-N 3.34Å; L84-E86 PolarHBondContact O-N 3.24Å
85K59.6Low51.7Low194 Ų194146.5 Ų146.584%0.84377%0.767SS**  trans-48.5104.3169.6-178.1112.4176.3177.30106.6K83 F87K83-K85 PolarHBondContact O-N 2.9Å; K85-F87 PolarHBondContact O-N 3.33Å; K85-F87 VanDerWaalsContact O-N 3.07Å
86E67Low52Low179 Ų179146.5 Ų146.584%0.83676%0.764SS**  trans-47.3117.3168.7-69.7155.7-175.200106.9L84 D88L84-E86 VanDerWaalsContact C-N 3.34Å; L84-E86 PolarHBondContact O-N 3.24Å; E86-D88 PolarHBondContact O-N 2.84Å
87F62.7Low52.2Low166 Ų166142.8 Ų142.873%0.72876%0.76SS**  trans-79.885.8175.9-148.2-80.7000105.7K85 F89K85-F87 PolarHBondContact O-N 3.33Å; K85-F87 VanDerWaalsContact O-N 3.07Å; F87-F89 HydrophobicContact CB-CE2 4.41Å; F87-F89 AromaticContact CD1-CD2 3.74Å; F87-F89 HydrophobicContact CD1-CD2 3.74Å; F87-F89 HydrophobicContact CD1-CE1 4.15Å; F87-F89 AromaticContact CD1-CE2 3.26Å; F87-F89 HydrophobicContact CD1-CE2 3.26Å; F87-F89 HydrophobicContact CD1-CG 4.37Å; F87-F89 AromaticContact CD1-CZ 3.49Å; F87-F89 HydrophobicContact CD1-CZ 3.49Å; F87-F89 VanDerWaalsContact CD1-CZ 3.49Å; F87-F89 HydrophobicContact CE1-CD2 4.45Å; F87-F89 AromaticContact CE1-CE1 3.91Å; F87-F89 HydrophobicContact CE1-CE1 3.91Å; F87-F89 AromaticContact CE1-CE2 3.82Å; F87-F89 HydrophobicContact CE1-CE2 3.82Å; F87-F89 AromaticContact CE1-CZ 3.5Å; F87-F89 HydrophobicContact CE1-CZ 3.5Å; F87-F89 HydrophobicContact CG-CE2 4.17Å; F87-F89 PolarHBondContact O-N 2.81Å
88D70Confident52.4Low121 Ų121146.3 Ų146.365%0.64777%0.77SS**  trans-71.6114.5175.4-167.5-0.4000108.6E86 D90E86-D88 PolarHBondContact O-N 2.84Å; D88-D90 VanDerWaalsContact C-N 3.29Å; D88-D90 WeakPolarHBondContact OD1-CB 3.49Å; D88-D90 PolarHBondContact OD1-N 2.93Å
89F63.9Low52.2Low169 Ų169143.9 Ų143.974%0.74176%0.763SS**  trans-90.47.7176.7-84.8-84.6000111.9F87 E91F87-F89 HydrophobicContact CB-CE2 4.41Å; F87-F89 AromaticContact CD1-CD2 3.74Å; F87-F89 HydrophobicContact CD1-CD2 3.74Å; F87-F89 HydrophobicContact CD1-CE1 4.15Å; F87-F89 AromaticContact CD1-CE2 3.26Å; F87-F89 HydrophobicContact CD1-CE2 3.26Å; F87-F89 HydrophobicContact CD1-CG 4.37Å; F87-F89 AromaticContact CD1-CZ 3.49Å; F87-F89 HydrophobicContact CD1-CZ 3.49Å; F87-F89 VanDerWaalsContact CD1-CZ 3.49Å; F87-F89 HydrophobicContact CE1-CD2 4.45Å; F87-F89 AromaticContact CE1-CE1 3.91Å; F87-F89 HydrophobicContact CE1-CE1 3.91Å; F87-F89 AromaticContact CE1-CE2 3.82Å; F87-F89 HydrophobicContact CE1-CE2 3.82Å; F87-F89 AromaticContact CE1-CZ 3.5Å; F87-F89 HydrophobicContact CE1-CZ 3.5Å; F87-F89 HydrophobicContact CG-CE2 4.17Å; F87-F89 PolarHBondContact O-N 2.81Å; F89-E91 PolarHBondContact O-N 3.1Å
90D61.8Low51.9Low136 Ų136142.2 Ų142.273%0.72776%0.757SS**  trans-76.896.1177-76.1-12.7000111.5D88 S92D88-D90 VanDerWaalsContact C-N 3.29Å; D88-D90 WeakPolarHBondContact OD1-CB 3.49Å; D88-D90 PolarHBondContact OD1-N 2.93Å; D90-S92 PolarHBondContact O-N 3.47Å; D90-S92 VanDerWaalsContact O-N 3.07Å
91E44.9Very low52Low188 Ų188144.3 Ų144.388%0.87977%0.765SS**  trans-36.3102.3155-173.9162.5-176.200112.3F89F89-E91 PolarHBondContact O-N 3.1Å
92S51.8Low51.7Low88 Ų88142.5 Ų142.562%0.61576%0.763SS**  trans-121.4110.5164.2141.40000109.5D90 N94D90-S92 PolarHBondContact O-N 3.47Å; D90-S92 VanDerWaalsContact O-N 3.07Å; S92-N94 PolarHBondContact O-N 3.36Å; S92-N94 VanDerWaalsContact O-N 3.16Å
93P48.9Very low51.3Low114 Ų114146 Ų14674%0.7478%0.777SS**  trans-85.383.3177.734.2-30.9000109.7
94N46.9Very low50.7Low143 Ų143139.4 Ų139.477%0.76577%0.768SS**  trans-135.578169.1-72.5-54.2000110.9S92S92-N94 PolarHBondContact O-N 3.36Å; S92-N94 VanDerWaalsContact O-N 3.16Å
95Q49.6Very low49.9Very low185 Ų185137 Ų13786%0.86477%0.77SS**  trans-3.9171.3141.4-132.3-144.1-7.200119.4
96P48Very low49.1Very low93 Ų93132.4 Ų132.460%0.60477%0.767SS**  -129.9174-82.341.9-26000112.5
97S41.1Very low48Very low115 Ų115127.6 Ų127.680%0.80476%0.758SS**  trans-176.7102.2147.637.10000112.3
98I45.4Very low47Very low170 Ų170127.9 Ų127.987%0.87276%0.762SS**  trans-141130.7153.7-43.4175.8000107.5
99P41.2Very low45.6Very low109 Ų109129.5 Ų129.571%0.70877%0.77SS**  trans-95.5157.8-155.438.6-37.1000114.9
100S38.4Very low44.5Very low102 Ų102125.2 Ų125.271%0.71377%0.767SS**  trans52.7103.8139.858.70000120.4
101V47.7Very low43.6Very low148 Ų148126.5 Ų126.590%0.89777%0.773SS**  -144125.1129.5-177.50000108.9
102P38.3Very low44Very low109 Ų109124.9 Ų124.971%0.70877%0.77SS**  trans-101.9136.1-178.535.9-26.5000111.1
103L43.7Very low44.2Very low182 Ų182126.3 Ų126.395%0.95378%0.777SS**  trans-174.6133.2139.2-139.256.2000111.5
104G37.9Very low44.4Very low68 Ų68129 Ų12970%0.70178%0.784SS**  trans10885144.800000116.8
105A39.9Very low44.6Very low99 Ų99133.2 Ų133.282%0.81879%0.789SS**  74.9130128.900000120.4
106A42.5Very low44.9Very low96 Ų96134.9 Ų134.979%0.79379%0.788SS**  trans72.793152.600000115.7
107A43.6Very low45Very low78 Ų78138 Ų13865%0.64580%0.799SS**  92.2112.778.200000111.6
108Q41.4Very low45.1Very low173 Ų173138 Ų13881%0.80881%0.805SS**  trans67.9133.1133.7-59.9175.8-13.300117.6
109N41.9Very low45.4Very low154 Ų154132.7 Ų132.782%0.82479%0.792SS**  trans91.181.9172.8-44.2-43.6000113.2
110A40.8Very low45.9Very low80 Ų80134.5 Ų134.566%0.66180%0.802SS**  56102.67500000113
111N42.9Very low46.4Very low162 Ų162133.3 Ų133.387%0.86679%0.793SS**  trans47.175.5145.6-65.9-56.6000117.8
112L53.2Low46.5Very low154 Ų154137.8 Ų137.881%0.80679%0.794SS**  trans-138.5131.1157.8-83.5161.7000109.8L114L112-L114 PolarHBondContact O-N 3.5Å
113P56.1Low47.5Very low118 Ų118138.6 Ų138.677%0.76679%0.788SS**  trans-62.3123.8174.525.6-30.9000108.2R115P113-R115 PolarHBondContact O-N 2.96Å
114L52.8Low48.7Very low170 Ų170134.8 Ų134.889%0.8978%0.775SS**  trans-61.982.1176.8-77.1155.6000109.8L112 R116L112-L114 PolarHBondContact O-N 3.5Å; L114-R116 VanDerWaalsContact C-N 3.32Å; L114-R116 PolarHBondContact O-N 3.33Å
115R51.5Low50.2Low232 Ų232137.7 Ų137.788%0.87578%0.781SS**  trans-6297.9162.6-171.2176.3-170.7150.41.5105.9P113 L117P113-R115 PolarHBondContact O-N 2.96Å; R115-L117 VanDerWaalsContact C-N 3.32Å; R115-L117 PolarHBondContact O-N 2.86Å
116R54.9Low51.9Low221 Ų221142.2 Ų142.283%0.83478%0.777SS**  trans-58.797.2174.5-77.2-179.8162.9171.4-3.9108.6L114L114-R116 VanDerWaalsContact C-N 3.32Å; L114-R116 PolarHBondContact O-N 3.33Å
117L50.8Low53.4Low159 Ų159145.8 Ų145.883%0.83278%0.777SS**  trans-53.4142.7164.4-83.1153.3000109.3R115 G119R115-L117 VanDerWaalsContact C-N 3.32Å; R115-L117 PolarHBondContact O-N 2.86Å; L117-G119 PolarHBondContact O-N 2.83Å
118A43Very low55Low113 Ų113148 Ų14893%0.93479%0.785SS**SBendtrans-32107.4176.800000112.3
119G50.5Low56.9Low59 Ų59149.3 Ų149.361%0.60878%0.783SS**  trans-142.9120.3-178.800000107.7L117 S121L117-G119 PolarHBondContact O-N 2.83Å; G119-S121 PolarHBondContact O-N 2.95Å
120T53.2Low58.7Low148 Ų148148.3 Ų148.391%0.90878%0.782SS**  trans-57.565.8168.746.30000110.4R122T120-R122 PolarHBondContact O-N 3.05Å
121S47.2Very low60.6Low76 Ų76146.3 Ų146.353%0.53177%0.765SS.*  trans-8495.9179.2175.40000107.8G119 H123G119-S121 PolarHBondContact O-N 2.95Å; S121-H123 PolarHBondContact O-N 3.03Å; S121-H123 PolarHBondContact OG-CD2 3Å; S121-H123 VanDerWaalsContact OG-CD2 3.3Å; S121-H123 PolarHBondContact OG-NE2 2.88Å; S121-H123 VanDerWaalsContact OG-NE2 3.08Å
122R51.5Low62.7Low242 Ų242141.9 Ų141.991%0.91375%0.747SS**  trans-59.475.8163.6-66.1-179.8175.6-153.8-1109T120T120-R122 PolarHBondContact O-N 3.05Å
123H58.6Low64.4Low126 Ų126140.4 Ų140.458%0.58374%0.738SS**  trans-65130.5160.4-75.5-64.1000107S121S121-H123 PolarHBondContact O-N 3.03Å; S121-H123 PolarHBondContact OG-CD2 3Å; S121-H123 VanDerWaalsContact OG-CD2 3.3Å; S121-H123 PolarHBondContact OG-NE2 2.88Å; S121-H123 VanDerWaalsContact OG-NE2 3.08Å
124P68.7Low66Low103 Ų103139.9 Ų139.967%0.66973%0.728SS**  trans-53143.8171.818.8-27.4000108.4R126P124-R126 PolarHBondContact O-N 3.05Å
125P70.1Confident67.7Low129 Ų129137.1 Ų137.184%0.83871%0.709SS**  trans-51.4109.3-177.5-21.329.1000108.7Q127P125-Q127 PolarHBondContact O-N 2.66Å; P125-Q127 VanDerWaalsContact O-N 3.14Å
126R74.6Confident69.4Low193 Ų193129 Ų12973%0.72868%0.682SS**  trans-64.7121.4171.4-62.9-175.697.8150.86.3104.5P124P124-R126 PolarHBondContact O-N 3.05Å
127Q74.4Confident71.2Confident171 Ų171122 Ų12280%0.79966%0.661SS**  trans-48.8136.8175-73.3178.8-29.300108.6P125 R129P125-Q127 PolarHBondContact O-N 2.66Å; P125-Q127 VanDerWaalsContact O-N 3.14Å; Q127-R129 PolarHBondContact O-N 3.34Å
128P78.3Confident73Confident125 Ų125118.8 Ų118.881%0.81265%0.645SS**  trans-50.9115.2172.9-22.831.8000108.1V130P128-V130 PolarHBondContact O-N 3.34Å; P128-V130 VanDerWaalsContact O-N 3.16Å
129R80.9Confident75.2Confident200 Ų200116.5 Ų116.576%0.75562%0.617SS**PPolyproline II helixtrans-69116.8173.5-68.2-173.7178.3125-9.2106.3Q127 A131Q127-R129 PolarHBondContact O-N 3.34Å; R129-A131 PolarHBondContact O-N 3Å
130V79Confident76.9Confident134 Ų134119.7 Ų119.781%0.81261%0.614SS**PPolyproline II helixtrans-55.9131.4170.6-173.40000107.1P128P128-V130 PolarHBondContact O-N 3.34Å; P128-V130 VanDerWaalsContact O-N 3.16Å
131A81.4Confident78.5Confident38 Ų38117.8 Ų117.831%0.31459%0.593SS.*PPolyproline II helixtrans-59.8141.9176.800000109.7R129 K135 I136R129-A131 PolarHBondContact O-N 3Å; A131-K135 HydrophobicContact CB-CB 4.33Å; A131-K135 HydrophobicContact CB-CD 4.12Å; A131-K135 HydrophobicContact CB-CG 4.45Å; A131-I136 HydrophobicContact CB-CD1 4.4Å; A131-I136 HydrophobicContact CB-CG1 3.91Å
132S86.3Confident80.3Confident68 Ų68121 Ų12148%0.47660%0.598SS.*PPolyproline II helixtrans-54.5145.4171.4174.90000110D134 K135 I136S132-D134 PolarHBondContact O-N 3.17Å; S132-D134 VanDerWaalsContact O-N 3.16Å; S132-D134 PolarHBondContact OG-N 3.32Å; S132-D134 PolarHBondContact OG-OD2 3.25Å; S132-K135 WeakPolarHBondContact O-CA 3.44Å; S132-K135 WeakPolarHBondContact O-CB 3.41Å; S132-K135 PolarHBondContact O-N 3.19Å; S132-I136 PolarHBondContact O-N 2.78Å
133M89.3Confident81.7Confident124 Ų124114.4 Ų114.461%0.61158%0.584SS**Hα-helixtrans-49.6-39.8172.5-17760.973.200110.8K135 I136 L137M133-K135 VanDerWaalsContact C-N 3.29Å; M133-K135 PolarHBondContact O-N 3.38Å; M133-I136 PolarHBondContact O-N 2.89Å; M133-L137 HydrophobicContact CG-CD1 3.93Å; M133-L137 HydrophobicContact CG-CG 4.24Å; M133-L137 WeakPolarHBondContact O-CB 3.26Å; M133-L137 VanDerWaalsContact O-CG 3.27Å; M133-L137 WeakPolarHBondContact O-CG 3.4Å; M133-L137 PolarHBondContact O-N 2.92Å; M133-L137 HydrophobicContact SD-CD1 4.38Å; M133-L137 HydrophobicContact SD-CG 4.17Å
134D88.8Confident82.3Confident107 Ų107116.5 Ų116.557%0.57259%0.587SS**Hα-helixtrans-61.1-38.2176.8-56.2-42.3000112.6S132 N138S132-D134 PolarHBondContact O-N 3.17Å; S132-D134 VanDerWaalsContact O-N 3.16Å; S132-D134 PolarHBondContact OG-N 3.32Å; S132-D134 PolarHBondContact OG-OD2 3.25Å; D134-N138 WeakPolarHBondContact O-CB 3.34Å; D134-N138 PolarHBondContact O-N 3.18Å; D134-N138 PolarHBondContact O-ND2 3.37Å
135K89Confident82.3Confident112 Ų112120.2 Ų120.249%0.48759%0.593SS.*Hα-helixtrans-70.8-42.7178-174.4178-178.9-60.20110.5A131 S132 M133 N138 D139A131-K135 HydrophobicContact CB-CB 4.33Å; A131-K135 HydrophobicContact CB-CD 4.12Å; A131-K135 HydrophobicContact CB-CG 4.45Å; S132-K135 WeakPolarHBondContact O-CA 3.44Å; S132-K135 WeakPolarHBondContact O-CB 3.41Å; S132-K135 PolarHBondContact O-N 3.19Å; M133-K135 VanDerWaalsContact C-N 3.29Å; M133-K135 PolarHBondContact O-N 3.38Å; K135-N138 PolarHBondContact O-N 3.42Å; K135-D139 IonicContact NZ-OD2 2.81Å; K135-D139 PolarHBondContact NZ-OD2 3.48Å; K135-D139 WeakPolarHBondContact O-CB 3.4Å; K135-D139 VanDerWaalsContact O-CG 3.24Å; K135-D139 PolarHBondContact O-N 3.2Å
136I87.9Confident81.5Confident61 Ų61121.8 Ų121.831%0.31359%0.589SS.*Hα-helixtrans-59.9-51.7176.5-63.3169.5000109.3A131 S132 M133 N138 D139 F140A131-I136 HydrophobicContact CB-CD1 4.4Å; A131-I136 HydrophobicContact CB-CG1 3.91Å; S132-I136 PolarHBondContact O-N 2.78Å; M133-I136 PolarHBondContact O-N 2.89Å; I136-N138 PolarHBondContact O-N 3.41Å; I136-D139 PolarHBondContact O-N 2.99Å; I136-F140 HydrophobicContact CG2-CD2 3.64Å; I136-F140 HydrophobicContact CG2-CE2 3.6Å; I136-F140 VanDerWaalsContact O-CD2 3.26Å; I136-F140 WeakPolarHBondContact O-CD2 3.43Å; I136-F140 PolarHBondContact O-N 3.46Å
137L92.1Very high80.5Confident75 Ų75118 Ų11839%0.39359%0.589SS.*Hα-helixtrans-59-45.9177.9-68.9175.7000111.6M133 D139 F140 F141M133-L137 HydrophobicContact CG-CD1 3.93Å; M133-L137 HydrophobicContact CG-CG 4.24Å; M133-L137 WeakPolarHBondContact O-CB 3.26Å; M133-L137 VanDerWaalsContact O-CG 3.27Å; M133-L137 WeakPolarHBondContact O-CG 3.4Å; M133-L137 PolarHBondContact O-N 2.92Å; M133-L137 HydrophobicContact SD-CD1 4.38Å; M133-L137 HydrophobicContact SD-CG 4.17Å; L137-D139 VanDerWaalsContact C-N 3.32Å; L137-D139 PolarHBondContact O-N 3.46Å; L137-F140 CarbonylContact O-C 3.24Å; L137-F140 WeakPolarHBondContact O-CB 3.46Å; L137-F140 PolarHBondContact O-N 2.96Å; L137-F140 VanDerWaalsContact O-N 3.16Å; L137-F141 HydrophobicContact CB-CD2 4.34Å; L137-F141 HydrophobicContact CB-CE2 4.18Å; L137-F141 WeakPolarHBondContact O-CD2 3.47Å; L137-F141 PolarHBondContact O-N 3.03Å
138N89.4Confident79.4Confident91 Ų91115.1 Ų115.149%0.48759%0.588SS.*Hα-helixtrans-60.2-41176.5-80.8-39.5000112.5D134 K135 I136 F141 K142D134-N138 WeakPolarHBondContact O-CB 3.34Å; D134-N138 PolarHBondContact O-N 3.18Å; D134-N138 PolarHBondContact O-ND2 3.37Å; K135-N138 PolarHBondContact O-N 3.42Å; I136-N138 PolarHBondContact O-N 3.41Å; N138-F141 PolarHBondContact O-N 3.44Å; N138-K142 WeakPolarHBondContact O-CB 3.46Å; N138-K142 VanDerWaalsContact O-CG 3.26Å; N138-K142 WeakPolarHBondContact O-CG 3.36Å; N138-K142 PolarHBondContact O-N 2.75Å
139D87.9Confident77.7Confident65 Ų65114.3 Ų114.335%0.34859%0.585SS.*Hα-helixtrans-65.7-39.6176.1-69.3-16.8000110.4K135 I136 L137 F141 K142 T143K135-D139 IonicContact NZ-OD2 2.81Å; K135-D139 PolarHBondContact NZ-OD2 3.48Å; K135-D139 WeakPolarHBondContact O-CB 3.4Å; K135-D139 VanDerWaalsContact O-CG 3.24Å; K135-D139 PolarHBondContact O-N 3.2Å; I136-D139 PolarHBondContact O-N 2.99Å; L137-D139 VanDerWaalsContact C-N 3.32Å; L137-D139 PolarHBondContact O-N 3.46Å; D139-F141 PolarHBondContact O-N 3.05Å; D139-K142 PolarHBondContact O-N 3.5Å; D139-T143 WeakPolarHBondContact O-CB 3.1Å; D139-T143 VanDerWaalsContact O-CG2 3.27Å; D139-T143 WeakPolarHBondContact O-CG2 3.42Å; D139-T143 PolarHBondContact O-N 3.33Å; D139-T143 PolarHBondContact O-OG1 2.98Å
140F86.9Confident76Confident125 Ų125109.9 Ų109.955%0.54858%0.583SS.*Hα-helixtrans-65.4-32.2172.1-89.7-77.1000114.2I136 L137 T143 R144I136-F140 HydrophobicContact CG2-CD2 3.64Å; I136-F140 HydrophobicContact CG2-CE2 3.6Å; I136-F140 VanDerWaalsContact O-CD2 3.26Å; I136-F140 WeakPolarHBondContact O-CD2 3.43Å; I136-F140 PolarHBondContact O-N 3.46Å; L137-F140 CarbonylContact O-C 3.24Å; L137-F140 WeakPolarHBondContact O-CB 3.46Å; L137-F140 PolarHBondContact O-N 2.96Å; L137-F140 VanDerWaalsContact O-N 3.16Å; F140-T143 WeakPolarHBondContact CA-OG1 3.48Å; F140-T143 PolarHBondContact O-OG1 2.98Å; F140-R144 WeakPolarHBondContact O-CG 3.48Å; F140-R144 PolarHBondContact O-NE 3.49Å
141F86.1Confident74Confident108 Ų108108 Ų10847%0.47458%0.581SS.*Hα-helixtrans-82.2-34.5176.9-74.1-66.1000112.4L137 N138 D139 R144 K145L137-F141 HydrophobicContact CB-CD2 4.34Å; L137-F141 HydrophobicContact CB-CE2 4.18Å; L137-F141 WeakPolarHBondContact O-CD2 3.47Å; L137-F141 PolarHBondContact O-N 3.03Å; N138-F141 PolarHBondContact O-N 3.44Å; D139-F141 PolarHBondContact O-N 3.05Å; F141-R144 PolarHBondContact O-N 3.07Å; F141-K145 PolarHBondContact O-N 3.24Å
142K86.1Confident72.2Confident145 Ų145112.8 Ų112.863%0.6361%0.606SS**Hα-helixtrans-65.4-44.8174.7-77.6177.2178.8-171.30111.6N138 D139 R144 K145 E146N138-K142 WeakPolarHBondContact O-CB 3.46Å; N138-K142 VanDerWaalsContact O-CG 3.26Å; N138-K142 WeakPolarHBondContact O-CG 3.36Å; N138-K142 PolarHBondContact O-N 2.75Å; D139-K142 PolarHBondContact O-N 3.5Å; K142-R144 PolarHBondContact O-N 3.15Å; K142-K145 PolarHBondContact O-N 3.3Å; K142-K145 VanDerWaalsContact O-N 3.08Å; K142-E146 PolarHBondContact O-N 2.65Å
143T81Confident70.1Confident102 Ų102115.8 Ų115.863%0.62662%0.622SS**Hα-helixtrans-64.2-26178.547.60000113.5D139 F140D139-T143 WeakPolarHBondContact O-CB 3.1Å; D139-T143 VanDerWaalsContact O-CG2 3.27Å; D139-T143 WeakPolarHBondContact O-CG2 3.42Å; D139-T143 PolarHBondContact O-N 3.33Å; D139-T143 PolarHBondContact O-OG1 2.98Å; F140-T143 WeakPolarHBondContact CA-OG1 3.48Å; F140-T143 PolarHBondContact O-OG1 2.98Å
144R70.5Confident67.9Low171 Ų171115.9 Ų115.965%0.64563%0.629SS**Hα-helixtrans-85.7-15.7173.6-71.6-175.5-71.8179.8-2.6114.4F140 F141 K142F140-R144 WeakPolarHBondContact O-CG 3.48Å; F140-R144 PolarHBondContact O-NE 3.49Å; F141-R144 PolarHBondContact O-N 3.07Å; K142-R144 PolarHBondContact O-N 3.15Å
145K67.7Low65.8Low181 Ų181119.4 Ų119.479%0.78764%0.642SS**Hα-helixtrans-93.5-7.9178.5-81.2-166.4176.4-172.80113.7F141 K142 P147F141-K145 PolarHBondContact O-N 3.24Å; K142-K145 PolarHBondContact O-N 3.3Å; K142-K145 VanDerWaalsContact O-N 3.08Å; K145-P147 VanDerWaalsContact O-CD 3.22Å; K145-P147 WeakPolarHBondContact O-CD 3.39Å
146E53.9Low63.5Low161 Ų161121.5 Ų121.575%0.75266%0.657SS**SBendtrans-85112.5169.3-127.5-156.2-171.600109.5K142 S148K142-E146 PolarHBondContact O-N 2.65Å; E146-S148 PolarHBondContact O-N 2.92Å
147P53.9Low61.3Low113 Ų113124 Ų12473%0.73468%0.677SS**  trans-64.9118.5168.427.6-31.7000107.9K145 S149K145-P147 VanDerWaalsContact O-CD 3.22Å; K145-P147 WeakPolarHBondContact O-CD 3.39Å; P147-S149 PolarHBondContact O-N 3.28Å
148S50.1Low58.8Low111 Ų111126.1 Ų126.178%0.77669%0.693SS**  trans-48.3134.3167.255.20000111.5E146E146-S148 PolarHBondContact O-N 2.92Å
149S42.6Very low56.6Low108 Ų108127.9 Ų127.976%0.75571%0.713SS**  trans96.6152.6154-159.20000117.8P147P147-S149 PolarHBondContact O-N 3.28Å
150P46.7Very low54.3Low107 Ų107129.9 Ų129.970%0.69573%0.732SS**  cis-129.7161.5-7.311.414.3000115.4
151A36.4Very low52.2Low94 Ų94132 Ų13278%0.77775%0.747SS**  trans44.2103.4140.200000120.1
152V44.1Very low50Low139 Ų139132.8 Ų132.884%0.84276%0.761SS**  trans-137.3121.8139.9179.60000108.8
153V41.8Very low48Very low132 Ų132130.2 Ų130.280%0.877%0.767SS**  trans-72.5122.5174.8172.10000109.4
154T43.4Very low46.1Very low126 Ų126134 Ų13477%0.77378%0.777SS**  trans-150.8102.8152.5-46.30000111.1
155E44Very low44.5Very low181 Ų181131.1 Ų131.185%0.84678%0.782SS**  trans28.6129.6146.7-52.2-167.6171.100122.8
156I41.1Very low43.5Very low155 Ų155130 Ų13080%0.79578%0.783SS**  trans-73.8164.3174.9-30.2176.7000110.2
157P41.3Very low43Very low114 Ų114127.5 Ų127.574%0.7478%0.781SS**  -150.1141.18339.8-20.1000116.6
158T40.9Very low42.6Very low119 Ų119127.6 Ų127.673%0.7378%0.784SS**  trans57.8111.2142.940.40000121.1
159S41.8Very low42.4Very low128 Ų128127.7 Ų127.790%0.89579%0.785SS**  -151.9114.1119.3-75.30000109
160S39.6Very low42.2Very low108 Ų108125.9 Ų125.976%0.75578%0.783SS**  trans-73.5123.5-175.946.40000112.8
161I43.4Very low42Very low168 Ų168128.9 Ų128.986%0.86279%0.792SS**  trans-135.1116.8148.4-66.5-176.1000107.7
162T38.9Very low42.2Very low126 Ų126130.2 Ų130.277%0.77380%0.795SS**  trans-78.8118.5178.3-460000109.4
163A45.5Very low42Very low90 Ų90132 Ų13274%0.74480%0.795SS**  trans-140.9125.8156.200000108.1
164H41.1Very low41.9Very low181 Ų181130.2 Ų130.284%0.83879%0.793SS**  trans-56129.8-164.8-78.6-88.8000114.6
165C36.9Very low41.8Very low112 Ų112129.8 Ų129.876%0.75779%0.791SS**  trans-69.1136.8162.7-60.20000110.8
166I45.8Very low41.7Very low157 Ų157128.6 Ų128.681%0.80579%0.79SS**  trans-117109.7142.2-59.6175.6000105.8
167P44.7Very low41.9Very low108 Ų108128.6 Ų128.670%0.70179%0.79SS**  trans-94.697161.529.9-17.6000107.5S169P167-S169 PolarHBondContact O-N 3.41Å
168S43.8Very low42Very low116 Ų116127.3 Ų127.381%0.81178%0.784SS**  trans-76116.6170.8-164.30000109
169S46Very low42.1Very low112 Ų112128.8 Ų128.878%0.78379%0.787SS**  trans-77.3161.2176.4-62.20000111.1P167P167-S169 PolarHBondContact O-N 3.41Å
170G38.9Very low42.3Very low70 Ų70129.3 Ų129.372%0.72278%0.78SS**  trans106.8115.9175.900000109.4
171I41.6Very low42.6Very low171 Ų171130 Ų13088%0.87778%0.78SS**  cis-159.4124.837.5-20.7168000106.1Q173I171-Q173 PolarHBondContact O-N 3.03Å
172S42Very low42.8Very low122 Ų122129.5 Ų129.585%0.85378%0.779SS**  trans-76.2114.6168.2-56.90000109.1
173Q40.4Very low43.1Very low177 Ų177133.4 Ų133.483%0.82779%0.785SS**  trans-138.198.6144.4-79.2-16411.600108.1I171 T175I171-Q173 PolarHBondContact O-N 3.03Å; Q173-T175 PolarHBondContact O-N 3.19Å
174A37.9Very low43Very low93 Ų93134.6 Ų134.677%0.76979%0.788SS**  trans-75.9106.9162.400000107.5
175T42.6Very low43.2Very low118 Ų118132.7 Ų132.772%0.72478%0.784SS**  trans-90101.4163.4-42.10000106.9Q173 I177Q173-T175 PolarHBondContact O-N 3.19Å; T175-I177 PolarHBondContact O-N 3.41Å
176N41.7Very low43.7Very low156 Ų156134 Ų13483%0.83478%0.784SS**  trans-57.4114.3167.7-83-61.8000108.8
177I44.8Very low43.9Very low155 Ų155132.6 Ų132.680%0.79578%0.778SS**  trans-97.3106.5163.9-35.4177000105.5T175 N179T175-I177 PolarHBondContact O-N 3.41Å; I177-N179 PolarHBondContact O-N 3.07Å
178S43.6Very low44.1Very low87 Ų87135.1 Ų135.161%0.60879%0.785SS**  trans-61.6119.5178.2-169.20000109.9D180S178-D180 PolarHBondContact O-N 3.38Å; S178-D180 PolarHBondContact OG-OD2 3.13Å
179N44Very low44.6Very low149 Ų149136 Ų13680%0.79778%0.781SS**  trans-8887.5164.2-82.8-17.5000108.5I177 T181I177-N179 PolarHBondContact O-N 3.07Å; N179-T181 PolarHBondContact O-N 3.48Å
180D45.8Very low45.3Very low140 Ų140133.9 Ų133.975%0.74977%0.766SS**  trans-87.1101.2164.2-80.6-51.9000109.7S178 N182S178-D180 PolarHBondContact O-N 3.38Å; S178-D180 PolarHBondContact OG-OD2 3.13Å; D180-N182 PolarHBondContact O-N 3.01Å
181T45.2Very low46.3Very low123 Ų123137.5 Ų137.576%0.75576%0.764SS**  trans-78.5106.2169.6-53.80000108.3N179N179-T181 PolarHBondContact O-N 3.48Å
182N48.5Very low47.3Very low156 Ų156136.7 Ų136.783%0.83476%0.757SS**  trans-121.2113159.9-87.1-34000110D180 S184D180-N182 PolarHBondContact O-N 3.01Å; N182-S184 PolarHBondContact O-N 3.03Å
183K44Very low48.5Very low208 Ų208136 Ų13690%0.90474%0.744SS**  trans-51.6125.9168.5-79.3175.9170.8-179.10110.4
184S44.7Very low49.7Very low115 Ų115133.8 Ų133.880%0.80473%0.731SS**  trans-156.8123.7139-176.90000110.6N182N182-S184 PolarHBondContact O-N 3.03Å
185N43.8Very low51.3Low142 Ų142138.2 Ų138.276%0.75973%0.728SS**  trans-30.2129.6164.7-78.4-20.1000115.1
186N47.9Very low52.5Low139 Ų139138.8 Ų138.874%0.74372%0.723SS**  165.2138.7109.9-88.9-22.2000111.7
187N49.4Very low53.9Low127 Ų127134.3 Ų134.368%0.67971%0.707SS**  trans73.791.5149.8-63.2-9.5000120.4N189N187-N189 VanDerWaalsContact C-N 3.34Å; N187-N189 PolarHBondContact O-N 2.88Å
188N49.8Very low54.9Low161 Ų161131.9 Ų131.986%0.86170%0.695SS**SBend48.812.8116.4-62.3-6.9000123.1
189N54Low56Low134 Ų134130.5 Ų130.572%0.71769%0.689SS**  trans-118.89.2176.1-73.5-6.8000115.5N187 E191N187-N189 VanDerWaalsContact C-N 3.34Å; N187-N189 PolarHBondContact O-N 2.88Å; N189-E191 PolarHBondContact O-N 3.41Å
190S61.2Low57.2Low69 Ų69127 Ų12748%0.48367%0.673SS.*Hα-helixtrans-81-1.1-165.280.30000118.1K194S190-K194 WeakPolarHBondContact O-CD 3.26Å; S190-K194 VanDerWaalsContact O-CG 3.26Å; S190-K194 WeakPolarHBondContact O-CG 3.32Å
191E58.5Low58.1Low145 Ų145126.6 Ų126.668%0.67867%0.667SS**Hα-helixtrans-85.6-27.9-180-76.9-156.9160.300113.9N189N189-E191 PolarHBondContact O-N 3.41Å
192Q64.4Low59.2Low154 Ų154126.8 Ų126.872%0.7266%0.662SS**Hα-helixtrans-71.2-48178.1-165.3104.2-17.100110.6K194 R195 E196Q192-K194 VanDerWaalsContact C-N 3.26Å; Q192-K194 PolarHBondContact O-N 3.38Å; Q192-R195 PolarHBondContact O-N 3.06Å; Q192-E196 PolarHBondContact O-N 3.16Å; Q192-E196 VanDerWaalsContact O-N 3.13Å
193D65.8Low60.1Low109 Ų109123 Ų12358%0.58365%0.652SS**Hα-helixtrans-62.8-31.3-178.9-63.6-11.4000112.7A197D193-A197 WeakPolarHBondContact O-CB 3.43Å; D193-A197 PolarHBondContact O-N 2.99Å
194K65.9Low61.2Low130 Ų130121.5 Ų121.557%0.56565%0.646SS**Hα-helixtrans-68.8-32.6175.3-74.3174.7-173.31720112.7S190 Q192 L198S190-K194 WeakPolarHBondContact O-CD 3.26Å; S190-K194 VanDerWaalsContact O-CG 3.26Å; S190-K194 WeakPolarHBondContact O-CG 3.32Å; Q192-K194 VanDerWaalsContact C-N 3.26Å; Q192-K194 PolarHBondContact O-N 3.38Å; K194-L198 WeakPolarHBondContact O-CG 3.46Å; K194-L198 PolarHBondContact O-N 3.5Å
195R71Confident61.7Low186 Ų186119.2 Ų119.270%0.70263%0.634SS**Hα-helixtrans-77.3-35.7177.2-68-174.9-176.1-171.24111.5Q192 L198 A199Q192-R195 PolarHBondContact O-N 3.06Å; R195-L198 PolarHBondContact O-N 2.81Å; R195-A199 PolarHBondContact O-N 3.02Å
196E68.5Low61.9Low130 Ų130117.1 Ų117.161%0.60763%0.63SS**Hα-helixtrans-69.2-40.6176.4-164.9170.1-169.600111.9Q192 L198 A199 V200Q192-E196 PolarHBondContact O-N 3.16Å; Q192-E196 VanDerWaalsContact O-N 3.13Å; E196-L198 VanDerWaalsContact C-N 3.35Å; E196-L198 PolarHBondContact O-N 3.15Å; E196-A199 PolarHBondContact O-N 3.15Å; E196-V200 WeakPolarHBondContact O-CG2 3.36Å; E196-V200 PolarHBondContact O-N 3.22Å
197A70.2Confident62Low61 Ų61116.5 Ų116.550%0.50463%0.631SS.*Hα-helixtrans-60.7-40.8174.200000112.8D193 V200 E201D193-A197 WeakPolarHBondContact O-CB 3.43Å; D193-A197 PolarHBondContact O-N 2.99Å; A197-V200 PolarHBondContact O-N 3.33Å; A197-E201 PolarHBondContact O-N 3.41Å
198L66.7Low61.7Low104 Ų104114.7 Ų114.755%0.54563%0.629SS.*Hα-helixtrans-68.9-33.6175.6-72173.5000112.8K194 R195 E196 E201 L202K194-L198 WeakPolarHBondContact O-CG 3.46Å; K194-L198 PolarHBondContact O-N 3.5Å; R195-L198 PolarHBondContact O-N 2.81Å; E196-L198 VanDerWaalsContact C-N 3.35Å; E196-L198 PolarHBondContact O-N 3.15Å; L198-E201 PolarHBondContact O-N 3.02Å; L198-L202 WeakPolarHBondContact O-CB 3.37Å; L198-L202 WeakPolarHBondContact O-CG 3.38Å; L198-L202 PolarHBondContact O-N 2.97Å
199A67.8Low61.8Low59 Ų59112.5 Ų112.549%0.48862%0.623SS.*Hα-helixtrans-67.4-39.9175.800000111.8R195 E196 A203R195-A199 PolarHBondContact O-N 3.02Å; E196-A199 PolarHBondContact O-N 3.15Å; A199-A203 WeakPolarHBondContact O-CB 3.21Å; A199-A203 PolarHBondContact O-N 3.02Å
200V68.2Low61.3Low74 Ų74113.2 Ų113.245%0.44862%0.622SS.*Hα-helixtrans-68.6-36.5175.4175.40000111.6E196 A197 A203 K204E196-V200 WeakPolarHBondContact O-CG2 3.36Å; E196-V200 PolarHBondContact O-N 3.22Å; A197-V200 PolarHBondContact O-N 3.33Å; V200-A203 PolarHBondContact O-N 3.1Å; V200-K204 HydrophobicContact CG1-CD 4.46Å; V200-K204 WeakPolarHBondContact O-CG 3.42Å; V200-K204 PolarHBondContact O-N 2.84Å
201E65.7Low60.5Low133 Ų133115.4 Ų115.462%0.62163%0.632SS**Hα-helixtrans-69.3-40.3176.7-164.5174.9170.300112.1A197 L198 K204 A205A197-E201 PolarHBondContact O-N 3.41Å; L198-E201 PolarHBondContact O-N 3.02Å; E201-K204 PolarHBondContact O-N 3.41Å; E201-A205 WeakPolarHBondContact O-CB 3.36Å; E201-A205 PolarHBondContact O-N 3.46Å
202L67.1Low59.6Low127 Ų127117.1 Ų117.167%0.66563%0.634SS**Hα-helixtrans-67-35174-76.1167.9000112.7L198 K204 A205 S206L198-L202 WeakPolarHBondContact O-CB 3.37Å; L198-L202 WeakPolarHBondContact O-CG 3.38Å; L198-L202 PolarHBondContact O-N 2.97Å; L202-K204 VanDerWaalsContact C-N 3.28Å; L202-K204 PolarHBondContact O-N 2.8Å; L202-A205 PolarHBondContact O-N 3.42Å; L202-S206 PolarHBondContact O-N 3.25Å; L202-S206 VanDerWaalsContact O-N 3.17Å
203A67.2Low58.6Low75 Ų75116.6 Ų116.662%0.6264%0.636SS**Hα-helixtrans-66.6-30.1174.600000112.6A199 V200A199-A203 WeakPolarHBondContact O-CB 3.21Å; A199-A203 PolarHBondContact O-N 3.02Å; V200-A203 PolarHBondContact O-N 3.1Å
204K66.8Low57.4Low178 Ų178118.5 Ų118.577%0.77464%0.641SS**Hα-helixtrans-82.9-25.1175.3-68.9177.3-177.6-175.10113.3V200 E201 L202V200-K204 HydrophobicContact CG1-CD 4.46Å; V200-K204 WeakPolarHBondContact O-CG 3.42Å; V200-K204 PolarHBondContact O-N 2.84Å; E201-K204 PolarHBondContact O-N 3.41Å; L202-K204 VanDerWaalsContact C-N 3.28Å; L202-K204 PolarHBondContact O-N 2.8Å
205A56.1Low56.7Low67 Ų67116.7 Ų116.755%0.55464%0.643SS**Hα-helixtrans-88.8-1.3177.100000113.9E201 L202 V207E201-A205 WeakPolarHBondContact O-CB 3.36Å; E201-A205 PolarHBondContact O-N 3.46Å; L202-A205 PolarHBondContact O-N 3.42Å; A205-V207 PolarHBondContact O-N 3.3Å
206S48.7Very low55.4Low97 Ų97114.5 Ų114.568%0.67865%0.645SS**  trans-70.878.1171.3175.50000110.3L202 S208L202-S206 PolarHBondContact O-N 3.25Å; L202-S206 VanDerWaalsContact O-N 3.17Å; S206-S208 PolarHBondContact O-N 3.18Å
207V49.1Very low54.3Low126 Ų126116 Ų11676%0.76466%0.657SS**  trans-56.8124174.5168.50000109.9A205A205-V207 PolarHBondContact O-N 3.3Å
208S42.6Very low53.2Low90 Ų90120.6 Ų120.663%0.62967%0.672SS**  trans-43.1140.2168.9-177.90000111.7S206 Q210S206-S208 PolarHBondContact O-N 3.18Å; S208-Q210 PolarHBondContact O-N 3.27Å
209P53.2Low52.4Low115 Ų115120.7 Ų120.775%0.74768%0.679SS**  trans-61.8106.9170.5-0.612.4000107.6V211P209-V211 PolarHBondContact O-N 3.29Å
210Q41.7Very low51.5Low149 Ų149123.6 Ų123.670%0.69670%0.695SS**  trans-63105.8164.6-81.9-156-13.500107.5S208 Y212S208-Q210 PolarHBondContact O-N 3.27Å; Q210-Y212 HydrophobicContact CB-CD2 4.33Å; Q210-Y212 PolarHBondContact O-N 3.5Å; Q210-Y212 VanDerWaalsContact OE1-CE2 3.22Å
211V46.4Very low50.5Low114 Ų114126.9 Ų126.969%0.69171%0.71SS**  trans-65.991.8159.3-179.90000105.9P209 N213P209-V211 PolarHBondContact O-N 3.29Å; V211-N213 VanDerWaalsContact C-N 3.29Å; V211-N213 PolarHBondContact O-N 2.99Å
212Y37.8Very low49.5Very low181 Ų181130.3 Ų130.371%0.7172%0.724SS**  trans-72.789.7169.2-117.7-89.6000107.7Q210 H214Q210-Y212 HydrophobicContact CB-CD2 4.33Å; Q210-Y212 PolarHBondContact O-N 3.5Å; Q210-Y212 VanDerWaalsContact OE1-CE2 3.22Å; Y212-H214 VanDerWaalsContact C-N 3.33Å; Y212-H214 PolarHBondContact O-N 3.21Å; Y212-H214 VanDerWaalsContact O-N 3.16Å
213N44.8Very low48.6Very low143 Ų143130.1 Ų130.177%0.76573%0.727SS**  trans-74.193158.9-74.4-38.4000106.9V211V211-N213 VanDerWaalsContact C-N 3.29Å; V211-N213 PolarHBondContact O-N 2.99Å
214H40.4Very low48.1Very low150 Ų150132.4 Ų132.469%0.69474%0.736SS**  trans-85.5118.3167.4-151.6-45.9000107.8Y212Y212-H214 VanDerWaalsContact C-N 3.33Å; Y212-H214 PolarHBondContact O-N 3.21Å; Y212-H214 VanDerWaalsContact O-N 3.16Å
215P50.1Low47Very low92 Ų92132.3 Ų132.360%0.59774%0.738SS**  trans-77146.7171.832.3-30.6000109.3
216D44Very low46.3Very low139 Ų139136.6 Ų136.674%0.74375%0.752SS**  trans49.997.7147.7-52.6-32.1000118.4
217N45.3Very low46.1Very low163 Ų163139.1 Ų139.187%0.87276%0.758SS**  trans-159.969.9142.9-92.5-43.1000108.9
218I47.2Very low45.7Very low157 Ų157137 Ų13781%0.80575%0.749SS**  trans-84.4126.5165.9-58174.9000107.1S220I218-S220 PolarHBondContact O-N 2.73Å
219P50Low45.4Very low106 Ų106139.9 Ų139.969%0.68876%0.757SS**  trans-61128.5170-16.529.5000109.8D221P219-D221 PolarHBondContact O-N 3.16Å
220S49.8Very low44.7Very low119 Ų119141 Ų14183%0.83276%0.761SS**SBendtrans-68.536.9-172.2-175.20000116I218I218-S220 PolarHBondContact O-N 2.73Å
221D45.8Very low44.4Very low144 Ų144144.9 Ų144.977%0.7777%0.769SS**  trans-130.622.6-170-81.3-25.5000116.3P219P219-D221 PolarHBondContact O-N 3.16Å
222F45.3Very low43.9Very low205 Ų205147.3 Ų147.390%0.89978%0.777SS**  trans-123.394.2169.9-87.4-87.6000112P224F222-P224 WeakPolarHBondContact O-CD 3.45Å
223T49Very low43.9Very low122 Ų122144 Ų14475%0.74878%0.776SS**  trans-75.5121.9163.449.80000109.6H225T223-H225 PolarHBondContact O-N 3.34Å
224P55.4Low43.5Very low124 Ų124142.7 Ų142.781%0.80578%0.778SS**  trans-71.9118.9164-5.722.9000107.7F222 D226F222-P224 WeakPolarHBondContact O-CD 3.45Å; P224-D226 PolarHBondContact O-N 2.89Å
225H43.9Very low43.4Very low175 Ų175140 Ų14081%0.8178%0.776SS**  trans-64.8115.7169.1-104.6-73.1000109.2T223 N227T223-H225 PolarHBondContact O-N 3.34Å; H225-N227 PolarHBondContact O-N 3.47Å
226D42.9Very low42.8Very low157 Ų157142.7 Ų142.784%0.8479%0.785SS**  trans-64.5108.7168.7-159.43.6000109.1P224P224-D226 PolarHBondContact O-N 2.89Å
227N42.8Very low42.5Very low151 Ų151144.2 Ų144.281%0.80779%0.788SS**  trans-108.685.9170.144.8-8.9000109.5H225H225-N227 PolarHBondContact O-N 3.47Å
228S41.5Very low42.1Very low82 Ų82142.3 Ų142.357%0.57378%0.782SS**  trans-28.8151.5158.961.90000116.5
229N36.6Very low41.5Very low150 Ų150140.5 Ų140.580%0.80278%0.783SS**  trans10176.7151.1-53.1-36.5000117.2
230V38Very low40.9Very low137 Ų137140 Ų14083%0.8379%0.787SS**  trans-118.8104.5142.9-178.90000108.3I232V230-I232 PolarHBondContact O-N 2.87Å
231R34.6Very low40.5Very low232 Ų232139.9 Ų139.988%0.87578%0.784SS**  trans-63118.7166.8-91.3178.7174.3174.4-2.3108.5
232I35.9Very low40Very low165 Ų165139.4 Ų139.485%0.84679%0.786SS**  trans-95.9118.1158.8-57.3176.5000106.4V230V230-I232 PolarHBondContact O-N 2.87Å
233T38.6Very low39.6Very low112 Ų112135.3 Ų135.369%0.68778%0.778SS**  trans-130.3125.1170.449.20000109.4
234S37.4Very low38.9Very low115 Ų115135.4 Ų135.480%0.80477%0.774SS**  trans70.2134.5154.3-121.50000116.1
235S37.2Very low38.1Very low94 Ų94136.2 Ų136.266%0.65777%0.77SS**  cis-162.3160.714.7-44.20000109.3
236D37.7Very low37.7Very low147 Ų147132.8 Ų132.879%0.78676%0.764SS**  trans55.5107143.7-86.7-13.5000119.9
237Q37.9Very low37.6Very low171 Ų171131 Ų13180%0.79976%0.755SS**  159.5118.9104.2-75.2-144.89.200112.5
238V37.1Very low37.6Very low123 Ų123132.9 Ų132.975%0.74576%0.759SS**  trans71.4100.3140.7-168.70000120.4
239S34.4Very low37.6Very low119 Ų119138.6 Ų138.683%0.83277%0.768SS**  trans43.5110.9131.3-64.40000122.3
240A37.2Very low37.9Very low95 Ų95139.4 Ų139.479%0.78577%0.77SS**  -161.9146.212200000109.8
241P41.6Very low38.1Very low118 Ų118141.3 Ų141.377%0.76677%0.772SS**  trans-81.7141.1-165.732.8-33.1000112.9V243P241-V243 PolarHBondContact O-N 3.32Å
242V34.5Very low38.7Very low134 Ų134137.7 Ų137.781%0.81277%0.765SS**  trans-56.6121.5162.11740000109.4N244V242-N244 HydrophobicContact CG1-CB 4.25Å
243V37Very low38.8Very low118 Ų118135.9 Ų135.972%0.71577%0.766SS**  trans-111.1101.6156.1177.80000106.6P241 I245P241-V243 PolarHBondContact O-N 3.32Å; V243-I245 HydrophobicContact CG1-CD1 3.76Å; V243-I245 HydrophobicContact CG1-CG1 3.77Å
244N34.4Very low39Very low125 Ų125137.7 Ų137.767%0.66877%0.766SS**  trans-88.6112.6165.3-178.418.7000106.9V242V242-N244 HydrophobicContact CG1-CB 4.25Å
245I38.4Very low39.2Very low140 Ų140141 Ų14172%0.71877%0.766SS**  trans-135101162.9-54.6172.8000106.4V243V243-I245 HydrophobicContact CG1-CD1 3.76Å; V243-I245 HydrophobicContact CG1-CG1 3.77Å
246C36.8Very low39.6Very low103 Ų103144 Ų14470%0.69677%0.774SS**  trans-63.7132.4158.3-53.60000108.5
247D39.9Very low40Very low120 Ų120144.3 Ų144.364%0.64277%0.771SS**  trans-147.195.7153.2-145.924.8000108.1R249D247-R249 PolarHBondContact O-N 3.35Å; D247-R249 IonicContact OD2-CZ 3.8Å; D247-R249 IonicContact OD2-NE 3.58Å; D247-R249 IonicContact OD2-NH2 3.21Å; D247-R249 PolarHBondContact OD2-NH2 3.34Å
248E42.4Very low39.9Very low191 Ų191139.8 Ų139.889%0.89377%0.77SS**  trans-63.7110.4164.8-76.8179.9137.900108.5
249R41.7Very low40.2Very low202 Ų202140.3 Ų140.376%0.76277%0.774SS**  trans-132.1101.8157.1-82.7-169.1-84.6-175.3-6111D247 M251D247-R249 PolarHBondContact O-N 3.35Å; D247-R249 IonicContact OD2-CZ 3.8Å; D247-R249 IonicContact OD2-NE 3.58Å; D247-R249 IonicContact OD2-NH2 3.21Å; D247-R249 PolarHBondContact OD2-NH2 3.34Å; R249-M251 PolarHBondContact O-N 2.99Å
250I44.2Very low40.2Very low166 Ų166142.5 Ų142.585%0.85178%0.776SS**  trans-38.7120.2159.1-59.8162.1000109
251M40.4Very low40.5Very low178 Ų178146.1 Ų146.188%0.87778%0.781SS**  trans-109.6115.4160.4-76.4-140.2-6400109.4R249R249-M251 PolarHBondContact O-N 2.99Å
252E47.5Very low40.1Very low155 Ų155151.1 Ų151.172%0.72479%0.786SS**  trans-63.2132.4-179.3-172.2172.7-173.700111.8H254E252-H254 PolarHBondContact O-N 3.29Å
253C38.8Very low40.3Very low128 Ų128150 Ų15087%0.86578%0.78SS**  trans-72.1103.2175.3-60.50000110.3K255C253-K255 PolarHBondContact O-N 3.05Å
254H43.3Very low40.3Very low149 Ų149151.7 Ų151.769%0.6979%0.785SS**  trans-82.1103.8163.5-83.9-81.6000110.5E252 L256E252-H254 PolarHBondContact O-N 3.29Å; H254-L256 PolarHBondContact O-N 3.11Å
255K40.4Very low40.3Very low185 Ų185153 Ų15380%0.80479%0.792SS**  trans-72.2104.6159.8-168.4-173.4-176.7-152.70107.2C253C253-K255 PolarHBondContact O-N 3.05Å
256L46.2Very low40.5Very low156 Ų156151 Ų15182%0.81780%0.796SS**  trans-102.8110172.4-106.8152000109.3H254H254-L256 PolarHBondContact O-N 3.11Å
257E45.4Very low40.5Very low155 Ų155153.4 Ų153.472%0.72480%0.802SS**  trans-62.7146.8170.7-131.3137.1154.300110.6
258G36Very low40.5Very low76 Ų76153.3 Ų153.378%0.78481%0.81SS**  trans-66145.3-17200000114.7
259T43.5Very low40.5Very low134 Ų134148.9 Ų148.982%0.82280%0.801SS**  trans-145115.5160.123.50000108.3
260D33.9Very low40.6Very low164 Ų164146.8 Ų146.888%0.87780%0.804SS**  trans-62.9124.2167.7-68.1-45.1000110
261L44Very low40.3Very low172 Ų172150.5 Ų150.590%0.90181%0.81SS**  trans-140.1121.9157.9-78178.8000111.2
262Y32.9Very low40.7Very low222 Ų222146.8 Ų146.887%0.87180%0.801SS**  trans-56.1164170.6-110.1-109000113.7
263V39.2Very low40.4Very low111 Ų111144.6 Ų144.667%0.67381%0.81SS**  trans115.6111.2143.2-169.50000117.9
264N38.1Very low40.7Very low153 Ų153145.2 Ų145.282%0.81880%0.803SS**  trans63.3119.9140.5-59-12.3000123.2
265N32.7Very low40.6Very low154 Ų154144.1 Ų144.182%0.82480%0.802SS**  trans-72.6126.7163-152.79.7000110.6
266A43Very low40.7Very low96 Ų96140.7 Ų140.779%0.79380%0.796SS**  trans-139.6117.6164.700000109
267N37.4Very low40.9Very low155 Ų155137.7 Ų137.783%0.82979%0.788SS**  trans-64.4129.6178.6-59.8-38.3000110.9
268S40.5Very low40.9Very low117 Ų117137.3 Ų137.382%0.81879%0.791SS**  trans-144.6115.3153.6-170.10000108.9
269S41.1Very low41.1Very low99 Ų99139.1 Ų139.169%0.69278%0.782SS**  trans-62.5139.2167.348.90000110.7
270D44.6Very low41.2Very low157 Ų157137.7 Ų137.784%0.8478%0.777SS**  trans-168.3125.9130.2-90.6-23.3000109.7S272D270-S272 PolarHBondContact O-N 2.86Å
271Y38.2Very low41.6Very low245 Ų245136.3 Ų136.396%0.96178%0.775SS**  trans-68.2123.1179.3-94.6-104.9000110.5
272S47.5Very low41.6Very low99 Ų99134.1 Ų134.169%0.69277%0.768SS**  trans-141.3137.7149.6700000108.8D270 I274D270-S272 PolarHBondContact O-N 2.86Å; S272-I274 PolarHBondContact O-N 2.83Å
273A42.8Very low42.1Very low110 Ų110129 Ų12991%0.90977%0.765SS**  trans-60.1115.1-171.500000111.4
274I44.4Very low42.3Very low140 Ų140129.9 Ų129.972%0.71877%0.771SS**  trans-94.8123.6175.4-63.1161.4000108.1S272 V276S272-I274 PolarHBondContact O-N 2.83Å; I274-V276 PolarHBondContact O-N 3.4Å
275N40.4Very low42.5Very low126 Ų126127.6 Ų127.667%0.67477%0.767SS**  trans-57.7120.7169-1727.4000109.6S277N275-S277 PolarHBondContact O-N 3.11Å
276V42.7Very low43Very low114 Ų114126.4 Ų126.469%0.69176%0.764SS**THydrogen-bonded Turntrans-82.422-165.9-161.50000112.5I274 I279I274-V276 PolarHBondContact O-N 3.4Å; V276-I279 HydrophobicContact CB-CD1 4.33Å; V276-I279 HydrophobicContact CG1-CD1 3.45Å; V276-I279 VanDerWaalsContact CG1-CD1 3.45Å; V276-I279 HydrophobicContact CG1-CG1 4.26Å
277S49.9Very low43.2Very low92 Ų92128.9 Ų128.964%0.64376%0.764SS**THydrogen-bonded Turntrans-92.4-8.5-176.7-54.50000115N275N275-S277 PolarHBondContact O-N 3.11Å
278D47.1Very low43.5Very low148 Ų148128.8 Ų128.879%0.79176%0.764SS**  trans-12720.9-174.6-76.1-39.4000114.3S280D278-S280 PolarHBondContact O-N 3.03Å
279I39.9Very low43.8Very low114 Ų114130.6 Ų130.659%0.58576%0.761SS**  trans-78.596.6-179.9-38.1-179.8000109.4V276 V281V276-I279 HydrophobicContact CB-CD1 4.33Å; V276-I279 HydrophobicContact CG1-CD1 3.45Å; V276-I279 VanDerWaalsContact CG1-CD1 3.45Å; V276-I279 HydrophobicContact CG1-CG1 4.26Å; I279-V281 PolarHBondContact O-N 3.49Å; I279-V281 VanDerWaalsContact O-N 3.16Å
280S44.8Very low44.2Very low104 Ų104135.3 Ų135.373%0.72777%0.77SS**  trans-56.5116.5163.1-620000108.4D278 T282D278-S280 PolarHBondContact O-N 3.03Å; S280-T282 PolarHBondContact O-N 2.85Å
281V43Very low44.4Very low135 Ų135135.9 Ų135.982%0.81877%0.767SS**  trans-62.998.3-179.2-175.60000108.8I279 S283I279-V281 PolarHBondContact O-N 3.49Å; I279-V281 VanDerWaalsContact O-N 3.16Å; V281-S283 PolarHBondContact O-N 3.14Å
282T43.5Very low45.3Very low125 Ų125129.6 Ų129.677%0.76776%0.759SS**  trans-74.4115162.440.50000108.4S280 V284S280-T282 PolarHBondContact O-N 2.85Å; T282-V284 PolarHBondContact O-N 3.28Å
283S43.9Very low45.3Very low114 Ų114133.5 Ų133.580%0.79777%0.766SS**  trans-50.2119.8175.8-36.70000111.2V281 S285V281-S283 PolarHBondContact O-N 3.14Å; S283-S285 PolarHBondContact O-N 3.24Å
284V41.8Very low45.9Very low131 Ų131136.3 Ų136.379%0.79477%0.766SS**  trans-69.8115.7168.8174.60000108.2T282 V286T282-V284 PolarHBondContact O-N 3.28Å; V284-V286 PolarHBondContact O-N 3.03Å
285S43.4Very low46.3Very low105 Ų105137.9 Ų137.973%0.73477%0.771SS**  trans-69.2121.8166.7179.50000109.1S283S283-S285 PolarHBondContact O-N 3.24Å
286V44Very low47Very low128 Ų128138.4 Ų138.478%0.77678%0.778SS**  trans-89.8110.4173.8-141.30000107.5V284 N288V284-V286 PolarHBondContact O-N 3.03Å; V286-N288 PolarHBondContact O-N 3.13Å
287N47.2Very low47.6Very low149 Ų149137.9 Ų137.980%0.79778%0.777SS**  trans-62.4118.7171.4-87.5-25.7000109.9M289N287-M289 PolarHBondContact O-N 3.09Å; N287-M289 VanDerWaalsContact O-N 3.13Å
288N43.2Very low47.8Very low152 Ų152146 Ų14681%0.81381%0.805SS**  trans-66.2104.9163.5-84.8-6.5000108.9V286 F290V286-N288 PolarHBondContact O-N 3.13Å; N288-F290 PolarHBondContact O-N 3.33Å
289M46.1Very low47.9Very low156 Ų156145.9 Ų145.977%0.76881%0.805SS**  trans-83101.6171-155.5170.173.700108.5N287 Q291N287-M289 PolarHBondContact O-N 3.09Å; N287-M289 VanDerWaalsContact O-N 3.13Å; M289-Q291 PolarHBondContact O-N 3.36Å
290F48.9Very low48.3Very low198 Ų198147.6 Ų147.687%0.86882%0.817SS**  trans-57.7121.4163.4-90.9-96.1000109.1N288N288-F290 PolarHBondContact O-N 3.33Å
291Q50.2Low48.5Very low169 Ų169150 Ų15079%0.7982%0.822SS**  trans-96.5113.7159.1-74.8-170.19.500107.9M289M289-Q291 PolarHBondContact O-N 3.36Å
292S56.5Low48.8Very low113 Ų113150.9 Ų150.979%0.7982%0.822SS**  trans-65.9140.9173.452.20000111.5
293E47.5Very low49.2Very low180 Ų180152.5 Ų152.584%0.84183%0.826SS**  trans-50.6143.9167.4-59.3167.5154.900112.2
294N54.9Low49.5Very low169 Ų169155.1 Ų155.190%0.90483%0.827SS**  trans-146.3110.5146-100.9-16.8000108.4
295E53.4Low50Low174 Ų174156.8 Ų156.881%0.81383%0.83SS**  trans-50.6149.3162.3-69.7176.4107.200111.5
296T55.8Low50.6Low136 Ų136160.8 Ų160.883%0.83484%0.837SS**  -161.5133.5110.1-32.80000109.4
297P55.2Low51.1Low104 Ų104163.5 Ų163.568%0.67584%0.842SS**  trans-92.7139.3169.734.3-27.6000110.9
298H54.4Low51.5Low262 Ų262164.8 Ų164.8100%1.21385%0.846SS**  trans-155.90151.3-124.5-50.8000111.9

Retrieved 298 of 298 residues in 60 ms (Link to these results)