A0A087YFL5_POEFO Loading...

Solute carrier family 13 member 1

AlphaFold DB , UniProt , Accession A0A087YFL5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 620 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
1M53.3Low57.6Low196 Ų196124 Ų12497%0.96662%0.619SS**  0-60.40-127.4168.7175.900112.6R3 S4 V5M1-R3 VanDerWaalsContact C-N 3.35Å; M1-R3 PolarHBondContact O-N 3.04Å; M1-S4 PolarHBondContact O-N 2.97Å; M1-S4 PolarHBondContact O-OG 2.96Å; M1-V5 WeakPolarHBondContact O-CG2 3.44Å; M1-V5 PolarHBondContact O-N 3.45Å
2L53.3Low59Low161 Ų161126.7 Ų126.784%0.84362%0.619SS**Hα-helixtrans-56.9-37.8179-83.4114.6000115.2G6L2-G6 PolarHBondContact O-N 3.16Å
3R51.8Low60.5Low218 Ų218126.1 Ų126.182%0.82361%0.606SS**Hα-helixtrans-74.3-18.8174.9-76.5-175.1176.2178.3-1114.9M1 R7M1-R3 VanDerWaalsContact C-N 3.35Å; M1-R3 PolarHBondContact O-N 3.04Å; R3-R7 PolarHBondContact O-N 3.11Å; R3-R7 PolarHBondContact O-NE 3.21Å
4S55.5Low61.6Low71 Ų71121.1 Ų121.150%0.49759%0.59SS.*Hα-helixtrans-90.3-36.2174720000110.9M1 R7 G8M1-S4 PolarHBondContact O-N 2.97Å; M1-S4 PolarHBondContact O-OG 2.96Å; S4-R7 PolarHBondContact O-N 2.81Å; S4-G8 PolarHBondContact O-N 2.8Å
5V58.4Low62.9Low79 Ų79118.1 Ų118.148%0.47958%0.582SS.*Hα-helixtrans-63-44168.9174.80000110.4M1 R7 G8 L9M1-V5 WeakPolarHBondContact O-CG2 3.44Å; M1-V5 PolarHBondContact O-N 3.45Å; V5-R7 PolarHBondContact O-N 3.24Å; V5-G8 PolarHBondContact O-N 3.32Å; V5-L9 HydrophobicContact CG1-CD1 3.51Å; V5-L9 WeakPolarHBondContact O-CD1 3.39Å; V5-L9 PolarHBondContact O-N 2.86Å
6G59.6Low64Low41 Ų41114.9 Ų114.942%0.42357%0.567SS.*Hα-helixtrans-63.3-37175.700000114.1L2 W10L2-G6 PolarHBondContact O-N 3.16Å; G6-W10 WeakPolarHBondContact O-CB 3.2Å; G6-W10 PolarHBondContact O-N 3.5Å
7R54.9Low65.2Low174 Ų174114 Ų11466%0.65756%0.559SS**Hα-helixtrans-71.1-36.7171.9-90.8-178.9-77.5-177.4-4.7112.5R3 S4 V5 W10 N11R3-R7 PolarHBondContact O-N 3.11Å; R3-R7 PolarHBondContact O-NE 3.21Å; S4-R7 PolarHBondContact O-N 2.81Å; V5-R7 PolarHBondContact O-N 3.24Å; R7-W10 PolarHBondContact O-N 3.47Å; R7-N11 PolarHBondContact O-N 2.92Å
8G60.3Low66.4Low27 Ų27110.3 Ų110.328%0.27854%0.544SS..Hα-helixtrans-61.9-50.6172.400000112S4 V5 W10 N11 Y12S4-G8 PolarHBondContact O-N 2.8Å; V5-G8 PolarHBondContact O-N 3.32Å; G8-W10 VanDerWaalsContact C-N 3.28Å; G8-W10 PolarHBondContact O-N 3.47Å; G8-N11 PolarHBondContact O-N 2.81Å; G8-N11 VanDerWaalsContact O-N 3.12Å; G8-Y12 WeakPolarHBondContact O-CD2 3.39Å; G8-Y12 PolarHBondContact O-N 3.32Å
9L58.3Low67.5Low96 Ų96110.1 Ų110.150%0.50354%0.544SS..Hα-helixtrans-59.4-37.5174.9-96.1109.5000112.5V5 N11 Y12 R13 I16V5-L9 HydrophobicContact CG1-CD1 3.51Å; V5-L9 WeakPolarHBondContact O-CD1 3.39Å; V5-L9 PolarHBondContact O-N 2.86Å; L9-N11 VanDerWaalsContact C-N 3.34Å; L9-Y12 CarbonylContact O-C 3.58Å; L9-Y12 PolarHBondContact O-N 2.92Å; L9-R13 WeakPolarHBondContact O-CA 3.14Å; L9-R13 PolarHBondContact O-N 2.89Å; L9-I16 HydrophobicContact CB-CD1 4.44Å; L9-I16 HydrophobicContact CD2-CD1 3.77Å; L9-I16 HydrophobicContact CG-CD1 4.11Å
10W59.9Low68.5Low169 Ų169109.2 Ų109.264%0.6454%0.541SS*.Hα-helixtrans-65.5-36.6175.7-168.3-93.6000112.6G6 R7 G8 Y12 R13G6-W10 WeakPolarHBondContact O-CB 3.2Å; G6-W10 PolarHBondContact O-N 3.5Å; R7-W10 PolarHBondContact O-N 3.47Å; G8-W10 VanDerWaalsContact C-N 3.28Å; G8-W10 PolarHBondContact O-N 3.47Å; W10-Y12 VanDerWaalsContact C-N 3.33Å; W10-R13 WeakPolarHBondContact O-CB 3.33Å; W10-R13 VanDerWaalsContact O-CD 3.32Å; W10-R13 WeakPolarHBondContact O-CD 3.37Å; W10-R13 WeakPolarHBondContact O-CG 3.35Å; W10-R13 PolarHBondContact O-N 3.08Å
11N67.9Low69.6Low132 Ų132105 Ų10571%0.70652%0.52SS*.Hα-helixtrans-69.7-30.9174.3-72.3-3.8000112.4R7 G8 L9R7-N11 PolarHBondContact O-N 2.92Å; G8-N11 PolarHBondContact O-N 2.81Å; G8-N11 VanDerWaalsContact O-N 3.12Å; L9-N11 VanDerWaalsContact C-N 3.34Å
12Y74.9Confident71.3Confident156 Ų15697.1 Ų97.161%0.61248%0.484SS*.THydrogen-bonded Turntrans-92.67.5174.6-70.6-73.4000114G8 L9 W10 S14 V15 I16G8-Y12 WeakPolarHBondContact O-CD2 3.39Å; G8-Y12 PolarHBondContact O-N 3.32Å; L9-Y12 CarbonylContact O-C 3.58Å; L9-Y12 PolarHBondContact O-N 2.92Å; W10-Y12 VanDerWaalsContact C-N 3.33Å; Y12-S14 PolarHBondContact O-N 3.5Å; Y12-S14 VanDerWaalsContact O-N 3.12Å; Y12-V15 HydrophobicContact CD1-CG2 4.26Å; Y12-V15 WeakPolarHBondContact O-CA 3.31Å; Y12-V15 WeakPolarHBondContact O-CB 3.24Å; Y12-V15 PolarHBondContact O-N 2.8Å; Y12-I16 WeakPolarHBondContact O-CG1 3.16Å; Y12-I16 PolarHBondContact O-N 3.5Å
13R77.9Confident73.1Confident119 Ų11994.9 Ų94.945%0.44947%0.472SS..Hα-helixtrans-52.4-42.5-174.371.6-172.6-178.9166.43.6112.2L9 W10 V15 I16 F17L9-R13 WeakPolarHBondContact O-CA 3.14Å; L9-R13 PolarHBondContact O-N 2.89Å; W10-R13 WeakPolarHBondContact O-CB 3.33Å; W10-R13 VanDerWaalsContact O-CD 3.32Å; W10-R13 WeakPolarHBondContact O-CD 3.37Å; W10-R13 WeakPolarHBondContact O-CG 3.35Å; W10-R13 PolarHBondContact O-N 3.08Å; R13-V15 PolarHBondContact O-N 2.82Å; R13-I16 PolarHBondContact O-N 3.49Å; R13-F17 WeakPolarHBondContact O-CD2 3.25Å; R13-F17 PolarHBondContact O-N 3.49Å
14S76Confident74.9Confident56 Ų5690.4 Ų90.439%0.39246%0.464SS..Hα-helixtrans-62.8-43.6178.8-59.70000111.7Y12 I16 F17 V18 V54Y12-S14 PolarHBondContact O-N 3.5Å; Y12-S14 VanDerWaalsContact O-N 3.12Å; S14-I16 VanDerWaalsContact C-N 3.34Å; S14-I16 PolarHBondContact O-N 3.42Å; S14-F17 PolarHBondContact O-N 2.84Å; S14-V18 VanDerWaalsContact O-CG2 3.25Å; S14-V18 WeakPolarHBondContact O-CG2 3.27Å; S14-V18 PolarHBondContact O-N 3.41Å; S14-V54 WeakPolarHBondContact O-CG1 3.46Å
15V81Confident76.6Confident77 Ų7788 Ų8847%0.46745%0.446SS..Hα-helixtrans-65.4-40.2177-178.70000111Y12 R13 V18 I19Y12-V15 HydrophobicContact CD1-CG2 4.26Å; Y12-V15 WeakPolarHBondContact O-CA 3.31Å; Y12-V15 WeakPolarHBondContact O-CB 3.24Å; Y12-V15 PolarHBondContact O-N 2.8Å; R13-V15 PolarHBondContact O-N 2.82Å; V15-V18 PolarHBondContact O-N 3.42Å; V15-I19 HydrophobicContact CG1-CD1 3.91Å; V15-I19 WeakPolarHBondContact O-CG1 3.47Å; V15-I19 PolarHBondContact O-N 2.88Å; V15-I19 VanDerWaalsContact O-N 3.1Å
16I81.8Confident78.1Confident66 Ų6687.8 Ų87.834%0.33844%0.441SS..Hα-helixtrans-62.3-47176.4-64.6167.5000110.3L9 Y12 R13 S14 I19 L20L9-I16 HydrophobicContact CB-CD1 4.44Å; L9-I16 HydrophobicContact CD2-CD1 3.77Å; L9-I16 HydrophobicContact CG-CD1 4.11Å; Y12-I16 WeakPolarHBondContact O-CG1 3.16Å; Y12-I16 PolarHBondContact O-N 3.5Å; R13-I16 PolarHBondContact O-N 3.49Å; S14-I16 VanDerWaalsContact C-N 3.34Å; S14-I16 PolarHBondContact O-N 3.42Å; I16-I19 PolarHBondContact O-N 2.8Å; I16-L20 WeakPolarHBondContact O-CB 2.96Å; I16-L20 PolarHBondContact O-N 2.95Å
17F83.3Confident79.5Confident100 Ų10089.2 Ų89.244%0.43944%0.443SS..Hα-helixtrans-60.7-45.4176.4-86.3-71.9000111.9R13 S14 I19 L20 I21 V54R13-F17 WeakPolarHBondContact O-CD2 3.25Å; R13-F17 PolarHBondContact O-N 3.49Å; S14-F17 PolarHBondContact O-N 2.84Å; F17-I19 PolarHBondContact O-N 3.48Å; F17-L20 PolarHBondContact O-N 3.14Å; F17-I21 HydrophobicContact CB-CD1 4.04Å; F17-I21 HydrophobicContact CD1-CD1 3.8Å; F17-I21 HydrophobicContact CD1-CG1 4.28Å; F17-I21 HydrophobicContact CG-CD1 4.41Å; F17-I21 WeakPolarHBondContact O-CB 3.43Å; F17-I21 WeakPolarHBondContact O-CD1 3.49Å; F17-I21 VanDerWaalsContact O-CG1 3.25Å; F17-I21 WeakPolarHBondContact O-CG1 3.4Å; F17-I21 PolarHBondContact O-N 3.36Å; F17-V54 HydrophobicContact CB-CG1 4.2Å; F17-V54 HydrophobicContact CB-CG2 4.13Å
18V86.6Confident81.1Confident47 Ų4783.1 Ų83.129%0.28542%0.423SS..Hα-helixtrans-60.3-32.7179.3170.40000112.6S14 V15 P22 F49 V54 I55S14-V18 VanDerWaalsContact O-CG2 3.25Å; S14-V18 WeakPolarHBondContact O-CG2 3.27Å; S14-V18 PolarHBondContact O-N 3.41Å; V15-V18 PolarHBondContact O-N 3.42Å; V18-P22 WeakPolarHBondContact O-CD 3.42Å; V18-P22 WeakPolarHBondContact O-CG 3.26Å; V18-F49 HydrophobicContact CG1-CZ 4.45Å; V18-F49 HydrophobicContact CG2-CZ 4.49Å; V18-V54 HydrophobicContact CG2-CB 4.44Å; V18-V54 HydrophobicContact CG2-CG1 3.54Å; V18-I55 HydrophobicContact CG1-CD1 4.29Å; V18-I55 HydrophobicContact CG2-CD1 3.97Å; V18-I55 HydrophobicContact CG2-CG1 3.84Å
19I87.3Confident82.4Confident107 Ų10782.3 Ų82.355%0.54941%0.413SS..Hα-helixtrans-87.9-43.3179.1-63.9170.1000111.3V15 I16 F17 P22 L23V15-I19 HydrophobicContact CG1-CD1 3.91Å; V15-I19 WeakPolarHBondContact O-CG1 3.47Å; V15-I19 PolarHBondContact O-N 2.88Å; V15-I19 VanDerWaalsContact O-N 3.1Å; I16-I19 PolarHBondContact O-N 2.8Å; F17-I19 PolarHBondContact O-N 3.48Å; I19-P22 WeakPolarHBondContact O-CD 3.26Å; I19-L23 WeakPolarHBondContact O-CB 3.28Å; I19-L23 PolarHBondContact O-N 3.36Å
20L88.7Confident83.8Confident92 Ų9282.6 Ų82.648%0.48242%0.415SS..Hα-helixtrans-69.7-39.8-172.9-175.566.3000112.2I16 F17 L23 L24I16-L20 WeakPolarHBondContact O-CB 2.96Å; I16-L20 PolarHBondContact O-N 2.95Å; F17-L20 PolarHBondContact O-N 3.14Å; L20-L23 PolarHBondContact O-N 3.42Å; L20-L24 WeakPolarHBondContact O-CB 3.29Å; L20-L24 PolarHBondContact O-N 2.83Å
21I90.5Very high85.1Confident20 Ų2080 Ų8010%0.10342%0.417CS..Hα-helixtrans-64.7-51.8-176.9-66160.2000111.6F17 L23 L24 L25 L45 V48 F49F17-I21 HydrophobicContact CB-CD1 4.04Å; F17-I21 HydrophobicContact CD1-CD1 3.8Å; F17-I21 HydrophobicContact CD1-CG1 4.28Å; F17-I21 HydrophobicContact CG-CD1 4.41Å; F17-I21 WeakPolarHBondContact O-CB 3.43Å; F17-I21 WeakPolarHBondContact O-CD1 3.49Å; F17-I21 VanDerWaalsContact O-CG1 3.25Å; F17-I21 WeakPolarHBondContact O-CG1 3.4Å; F17-I21 PolarHBondContact O-N 3.36Å; I21-L23 VanDerWaalsContact C-N 3.25Å; I21-L23 PolarHBondContact O-N 3.43Å; I21-L24 PolarHBondContact O-N 2.95Å; I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 WeakPolarHBondContact O-CG 3.28Å; I21-L25 PolarHBondContact O-N 3.33Å; I21-L45 HydrophobicContact CG2-CD1 3.76Å; I21-V48 HydrophobicContact CD1-CB 4.47Å; I21-V48 HydrophobicContact CD1-CG1 3.35Å; I21-V48 HydrophobicContact CG1-CG1 4.05Å; I21-V48 HydrophobicContact CG2-CB 4.18Å; I21-V48 HydrophobicContact CG2-CG1 4.02Å; I21-F49 HydrophobicContact CB-CE1 4.1Å; I21-F49 HydrophobicContact CD1-CD1 4.08Å; I21-F49 HydrophobicContact CD1-CE1 3.83Å; I21-F49 HydrophobicContact CG2-CE1 4.27Å
22P90Very high86Confident31 Ų3178.3 Ų78.320%0.20141%0.407CS..Hα-helixtrans-56.4-40173.1-22.929.4000112.7V18 I19 L24 L25 L26 F41 L45 F49V18-P22 WeakPolarHBondContact O-CD 3.42Å; V18-P22 WeakPolarHBondContact O-CG 3.26Å; I19-P22 WeakPolarHBondContact O-CD 3.26Å; P22-L24 VanDerWaalsContact C-N 3.34Å; P22-L24 PolarHBondContact O-N 3.25Å; P22-L25 PolarHBondContact O-N 2.99Å; P22-L26 WeakPolarHBondContact O-CA 3.45Å; P22-L26 WeakPolarHBondContact O-CB 3.31Å; P22-L26 PolarHBondContact O-N 2.89Å; P22-F41 HydrophobicContact CB-CZ 4.37Å; P22-L45 HydrophobicContact CB-CD1 4.4Å; P22-L45 HydrophobicContact CG-CD1 3.77Å; P22-F49 HydrophobicContact CG-CZ 4.22Å
23L89.9Confident86.5Confident114 Ų11480.2 Ų80.260%0.59741%0.413SS*.Hα-helixtrans-66.7-37.4-178.7-166.3145.2000111.9I19 L20 I21 L26I19-L23 WeakPolarHBondContact O-CB 3.28Å; I19-L23 PolarHBondContact O-N 3.36Å; L20-L23 PolarHBondContact O-N 3.42Å; I21-L23 VanDerWaalsContact C-N 3.25Å; I21-L23 PolarHBondContact O-N 3.43Å; L23-L26 WeakPolarHBondContact O-CB 3.18Å
24L91.3Very high87.1Confident124 Ų12477.6 Ų77.665%0.64941%0.411SS*.Hα-helixtrans-70.8-35.1175.9-174.5142.3000112.4L20 I21 P22 P27L20-L24 WeakPolarHBondContact O-CB 3.29Å; L20-L24 PolarHBondContact O-N 2.83Å; I21-L24 PolarHBondContact O-N 2.95Å; P22-L24 VanDerWaalsContact C-N 3.34Å; P22-L24 PolarHBondContact O-N 3.25Å; L24-P27 VanDerWaalsContact O-CD 3.26Å; L24-P27 WeakPolarHBondContact O-CD 3.23Å
25L91.1Very high87.8Confident21 Ų2179.1 Ų79.111%0.1141%0.41CS..Hα-helixtrans-84.5-15.9177.6-65.4175000113.2I21 P22 P27 L28 P29 F41 L44 L45I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 WeakPolarHBondContact O-CG 3.28Å; I21-L25 PolarHBondContact O-N 3.33Å; P22-L25 PolarHBondContact O-N 2.99Å; L25-P27 VanDerWaalsContact C-N 3.29Å; L25-P27 VanDerWaalsContact O-N 3.13Å; L25-L28 HydrophobicContact CB-CD1 4.43Å; L25-L28 HydrophobicContact CD2-CD1 4.03Å; L25-L28 WeakPolarHBondContact O-CB 3.19Å; L25-L28 WeakPolarHBondContact O-CD1 3.39Å; L25-L28 PolarHBondContact O-N 3.34Å; L25-P29 WeakPolarHBondContact O-CD 3.3Å; L25-F41 HydrophobicContact CB-CD2 3.56Å; L25-F41 HydrophobicContact CB-CE2 3.56Å; L25-F41 WeakPolarHBondContact O-CD2 3.39Å; L25-L44 HydrophobicContact CD1-CB 4.02Å; L25-L44 HydrophobicContact CD2-CB 4.4Å; L25-L44 HydrophobicContact CD2-CD1 4.32Å; L25-L45 HydrophobicContact CD1-CB 4.19Å
26L88.9Confident88.3Confident75 Ų7577 Ų7739%0.39340%0.397SS..THydrogen-bonded Turntrans-51.6-31.7-178.5-151.789.6000115.6P22 L23 L28 P29 L30P22-L26 WeakPolarHBondContact O-CA 3.45Å; P22-L26 WeakPolarHBondContact O-CB 3.31Å; P22-L26 PolarHBondContact O-N 2.89Å; L23-L26 WeakPolarHBondContact O-CB 3.18Å; L26-L28 PolarHBondContact O-N 2.91Å; L26-P29 WeakPolarHBondContact O-CD 3.17Å; L26-P29 WeakPolarHBondContact O-CG 3.45Å; L26-L30 HydrophobicContact CD2-CD1 3.34Å; L26-L30 HydrophobicContact CD2-CG 4.42Å; L26-L30 HydrophobicContact CG-CD1 3.64Å; L26-L30 HydrophobicContact CG-CG 4.22Å; L26-L30 WeakPolarHBondContact O-CB 3.4Å; L26-L30 WeakPolarHBondContact O-CG 3.39Å; L26-L30 PolarHBondContact O-N 3.35Å
27P89.6Confident88.8Confident70 Ų7074.1 Ų74.146%0.45538%0.384SS..Hα-helixtrans-59.7-28.7174.4-26.737.1000114L24 L25 V31L24-P27 VanDerWaalsContact O-CD 3.26Å; L24-P27 WeakPolarHBondContact O-CD 3.23Å; L25-P27 VanDerWaalsContact C-N 3.29Å; L25-P27 VanDerWaalsContact O-N 3.13Å; P27-V31 HydrophobicContact CB-CG2 4.21Å; P27-V31 WeakPolarHBondContact O-CB 3.29Å; P27-V31 WeakPolarHBondContact O-CG2 3.26Å; P27-V31 PolarHBondContact O-N 3.02Å
28L87.4Confident89.3Confident46 Ų4670.9 Ų70.924%0.24137%0.37CS..Iπ-helixtrans-56.3-61.6177.4-86.4120.7000112.1L25 L26 L30 I32 A40 F41 L44L25-L28 HydrophobicContact CB-CD1 4.43Å; L25-L28 HydrophobicContact CD2-CD1 4.03Å; L25-L28 WeakPolarHBondContact O-CB 3.19Å; L25-L28 WeakPolarHBondContact O-CD1 3.39Å; L25-L28 PolarHBondContact O-N 3.34Å; L26-L28 PolarHBondContact O-N 2.91Å; L28-L30 PolarHBondContact O-N 2.92Å; L28-I32 WeakPolarHBondContact O-CB 3.31Å; L28-I32 PolarHBondContact O-N 3.41Å; L28-A40 HydrophobicContact CD2-CB 4.33Å; L28-F41 HydrophobicContact CB-CB 4.44Å; L28-L44 HydrophobicContact CD1-CD1 4.34Å
29P87.5Confident89.6Confident11 Ų1168.6 Ų68.67%0.07136%0.356CS..Iπ-helixtrans-69.7-33.9-17926.4-34.9000112.4L25 L26 R33 E38 F41 F71L25-P29 WeakPolarHBondContact O-CD 3.3Å; L26-P29 WeakPolarHBondContact O-CD 3.17Å; L26-P29 WeakPolarHBondContact O-CG 3.45Å; P29-R33 WeakPolarHBondContact O-CA 3.19Å; P29-R33 WeakPolarHBondContact O-CG 3.35Å; P29-R33 PolarHBondContact O-N 3.48Å; P29-E38 HydrophobicContact CB-CG 4.08Å; P29-F41 HydrophobicContact CG-CB 4.32Å; P29-F41 HydrophobicContact CG-CD2 3.99Å; P29-F41 HydrophobicContact CG-CE2 4.49Å; P29-F41 HydrophobicContact CG-CG 4.05Å; P29-F71 HydrophobicContact CB-CE1 4.32Å
30L87.8Confident89.8Confident101 Ų10164.1 Ų64.153%0.52934%0.335SS..Iπ-helixtrans-80.8-32.9-172.6-67.9-176.7000114.8L26 L28 R33L26-L30 HydrophobicContact CD2-CD1 3.34Å; L26-L30 HydrophobicContact CD2-CG 4.42Å; L26-L30 HydrophobicContact CG-CD1 3.64Å; L26-L30 HydrophobicContact CG-CG 4.22Å; L26-L30 WeakPolarHBondContact O-CB 3.4Å; L26-L30 WeakPolarHBondContact O-CG 3.39Å; L26-L30 PolarHBondContact O-N 3.35Å; L28-L30 PolarHBondContact O-N 2.92Å; L30-R33 WeakPolarHBondContact O-CG 3.43Å; L30-R33 PolarHBondContact O-NE 3.08Å
31V87.9Confident90Very high114 Ų11460.1 Ų60.169%0.69131%0.314SS*.Iπ-helixtrans-93.7-47.7-176.9-176.70000110.9P27P27-V31 HydrophobicContact CB-CG2 4.21Å; P27-V31 WeakPolarHBondContact O-CB 3.29Å; P27-V31 WeakPolarHBondContact O-CG2 3.26Å; P27-V31 PolarHBondContact O-N 3.02Å
32I86.2Confident90.2Very high98 Ų9859.2 Ų59.250%0.50331%0.309SS..Iπ-helixtrans-79.6-34.7-175.3-54173.9000111L28 T34 A37L28-I32 WeakPolarHBondContact O-CB 3.31Å; L28-I32 PolarHBondContact O-N 3.41Å; I32-T34 HydrophobicContact CG2-CG2 4.04Å; I32-T34 PolarHBondContact O-N 3.4Å; I32-T34 VanDerWaalsContact O-N 3.11Å; I32-A37 HydrophobicContact CB-CB 3.76Å; I32-A37 HydrophobicContact CD1-CB 4.22Å; I32-A37 HydrophobicContact CG2-CB 3.8Å
33R85.1Confident90.2Very high196 Ų19658.7 Ų58.774%0.7430%0.304SS*.  trans51.132.2174.9-57.9-174.4-178.5-173.9-0.8115.1P29 L30P29-R33 WeakPolarHBondContact O-CA 3.19Å; P29-R33 WeakPolarHBondContact O-CG 3.35Å; P29-R33 PolarHBondContact O-N 3.48Å; L30-R33 WeakPolarHBondContact O-CG 3.43Å; L30-R33 PolarHBondContact O-NE 3.08Å
34T92.1Very high90.3Very high64 Ų6456.7 Ų56.739%0.39329%0.294SS..  trans-104.915417260.80000110.6I32 V36 A37 E38I32-T34 HydrophobicContact CG2-CG2 4.04Å; I32-T34 PolarHBondContact O-N 3.4Å; I32-T34 VanDerWaalsContact O-N 3.11Å; T34-V36 PolarHBondContact O-N 3.38Å; T34-A37 PolarHBondContact O-N 3.27Å; T34-A37 VanDerWaalsContact O-N 3.08Å; T34-A37 WeakPolarHBondContact OG1-CB 3.13Å; T34-A37 PolarHBondContact OG1-N 3.09Å; T34-E38 WeakPolarHBondContact O-CG 3.27Å; T34-E38 PolarHBondContact O-N 3.15Å
35K90.8Very high90.4Very high87 Ų8751.1 Ų51.138%0.37827%0.265SS..Hα-helixtrans-57-38.3173.4-65.1-57.6178.1-1650112.2E38 C39 F71 G72 I73 S477K35-E38 VanDerWaalsContact CD-OE2 3.29Å; K35-E38 WeakPolarHBondContact CD-OE2 3.41Å; K35-E38 IonicContact NZ-OE2 2.82Å; K35-E38 PolarHBondContact NZ-OE2 3.21Å; K35-E38 VanDerWaalsContact NZ-OE2 3.12Å; K35-E38 PolarHBondContact O-N 3.4Å; K35-C39 WeakPolarHBondContact O-CB 3.4Å; K35-C39 PolarHBondContact O-N 3.18Å; K35-F71 PolarHBondContact NZ-O 3.32Å; K35-G72 VanDerWaalsContact CE-O 3.29Å; K35-G72 WeakPolarHBondContact CE-O 3.33Å; K35-G72 PolarHBondContact NZ-O 2.94Å; K35-I73 HydrophobicContact CD-CG1 4.38Å; K35-S477 WeakPolarHBondContact O-CB 3.3Å
36V91.1Very high90.5Very high33 Ų3350.1 Ų50.120%0.226%0.259CS..Hα-helixtrans-57.4-48.7173.8179.60000111.1T34 C39 A40 S477 M479 W482T34-V36 PolarHBondContact O-N 3.38Å; V36-C39 PolarHBondContact O-N 3.38Å; V36-A40 VanDerWaalsContact O-CB 3.23Å; V36-A40 WeakPolarHBondContact O-CB 3.3Å; V36-A40 PolarHBondContact O-N 3.27Å; V36-S477 WeakPolarHBondContact CG2-O 3.45Å; V36-S477 PolarHBondContact N-O 3.06Å; V36-M479 HydrophobicContact CG1-CB 4.33Å; V36-W482 HydrophobicContact CG1-CB 3.94Å; V36-W482 HydrophobicContact CG1-CD2 4.04Å; V36-W482 HydrophobicContact CG1-CE3 4.31Å; V36-W482 HydrophobicContact CG1-CG 3.88Å
37A92Very high90.4Very high6 Ų647.4 Ų47.45%0.0525%0.247CC..Hα-helixtrans-69.2-37.4-179.300000113I32 T34 A40 F41I32-A37 HydrophobicContact CB-CB 3.76Å; I32-A37 HydrophobicContact CD1-CB 4.22Å; I32-A37 HydrophobicContact CG2-CB 3.8Å; T34-A37 PolarHBondContact O-N 3.27Å; T34-A37 VanDerWaalsContact O-N 3.08Å; T34-A37 WeakPolarHBondContact OG1-CB 3.13Å; T34-A37 PolarHBondContact OG1-N 3.09Å; A37-A40 PolarHBondContact O-N 3.46Å; A37-F41 WeakPolarHBondContact O-CB 3.41Å; A37-F41 PolarHBondContact O-N 3.26Å
38E93.5Very high90.5Very high31 Ų3146.6 Ų46.615%0.14524%0.241CC..Hα-helixtrans-63.4-44.1174.3-69.917316600111.5P29 T34 K35 F41 V42 F71 I73P29-E38 HydrophobicContact CB-CG 4.08Å; T34-E38 WeakPolarHBondContact O-CG 3.27Å; T34-E38 PolarHBondContact O-N 3.15Å; K35-E38 VanDerWaalsContact CD-OE2 3.29Å; K35-E38 WeakPolarHBondContact CD-OE2 3.41Å; K35-E38 IonicContact NZ-OE2 2.82Å; K35-E38 PolarHBondContact NZ-OE2 3.21Å; K35-E38 VanDerWaalsContact NZ-OE2 3.12Å; K35-E38 PolarHBondContact O-N 3.4Å; E38-F41 WeakPolarHBondContact O-CB 3.49Å; E38-F41 PolarHBondContact O-N 3.21Å; E38-V42 PolarHBondContact O-N 3.38Å; E38-F71 HydrophobicContact CB-CB 4Å; E38-F71 HydrophobicContact CB-CD2 4.28Å; E38-F71 HydrophobicContact CB-CG 4.06Å; E38-F71 HydrophobicContact CG-CB 4.22Å; E38-F71 HydrophobicContact CG-CD1 4.3Å; E38-F71 HydrophobicContact CG-CG 4.23Å; E38-F71 VanDerWaalsContact OE2-O 3.05Å; E38-I73 HydrophobicContact CB-CD1 4Å; E38-I73 HydrophobicContact CB-CG1 4.41Å
39C92.5Very high90.7Very high0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-69.1-38.9176.1-1660000111.1K35 V36 F41 V42 L43 I73 G473 S477 M479K35-C39 WeakPolarHBondContact O-CB 3.4Å; K35-C39 PolarHBondContact O-N 3.18Å; V36-C39 PolarHBondContact O-N 3.38Å; C39-F41 VanDerWaalsContact C-N 3.28Å; C39-F41 PolarHBondContact O-N 2.94Å; C39-V42 PolarHBondContact O-N 3.42Å; C39-V42 VanDerWaalsContact O-N 3.08Å; C39-L43 PolarHBondContact O-N 2.88Å; C39-I73 HydrophobicContact CB-CD1 3.89Å; C39-G473 VanDerWaalsContact SG-C 3.55Å; C39-G473 PolarHBondContact SG-O 3.15Å; C39-S477 VanDerWaalsContact CB-OG 3.23Å; C39-S477 WeakPolarHBondContact CB-OG 3.43Å; C39-S477 PolarHBondContact SG-OG 3.07Å; C39-M479 HydrophobicContact CB-CE 3.46Å; C39-M479 VanDerWaalsContact CB-CE 3.46Å; C39-M479 WeakPolarHBondContact O-CE 3.4Å; C39-M479 WeakPolarHBondContact SG-CE 3.48Å
40A91.1Very high90.7Very high12 Ų1244.1 Ų44.110%0.09923%0.227CC..Hα-helixtrans-63.9-36.2178.800000111.4L28 V36 A37 L43 L44 M479L28-A40 HydrophobicContact CD2-CB 4.33Å; V36-A40 VanDerWaalsContact O-CB 3.23Å; V36-A40 WeakPolarHBondContact O-CB 3.3Å; V36-A40 PolarHBondContact O-N 3.27Å; A37-A40 PolarHBondContact O-N 3.46Å; A40-L43 PolarHBondContact O-N 3.07Å; A40-L44 WeakPolarHBondContact O-CB 3.26Å; A40-L44 VanDerWaalsContact O-CG 3.26Å; A40-L44 WeakPolarHBondContact O-CG 3.3Å; A40-L44 PolarHBondContact O-N 3.43Å; A40-M479 HydrophobicContact CB-CE 3.92Å
41F94.2Very high90.5Very high9 Ų941.6 Ų41.64%0.03922%0.216CC..Hα-helixtrans-57.4-48.4170.8171.1-91.6000111.9P22 L25 L28 P29 A37 E38 C39 L45 L67 F71P22-F41 HydrophobicContact CB-CZ 4.37Å; L25-F41 HydrophobicContact CB-CD2 3.56Å; L25-F41 HydrophobicContact CB-CE2 3.56Å; L25-F41 WeakPolarHBondContact O-CD2 3.39Å; L28-F41 HydrophobicContact CB-CB 4.44Å; P29-F41 HydrophobicContact CG-CB 4.32Å; P29-F41 HydrophobicContact CG-CD2 3.99Å; P29-F41 HydrophobicContact CG-CE2 4.49Å; P29-F41 HydrophobicContact CG-CG 4.05Å; A37-F41 WeakPolarHBondContact O-CB 3.41Å; A37-F41 PolarHBondContact O-N 3.26Å; E38-F41 WeakPolarHBondContact O-CB 3.49Å; E38-F41 PolarHBondContact O-N 3.21Å; C39-F41 VanDerWaalsContact C-N 3.28Å; C39-F41 PolarHBondContact O-N 2.94Å; F41-L45 HydrophobicContact CE1-CD2 3.98Å; F41-L45 HydrophobicContact CZ-CD2 4.12Å; F41-L45 WeakPolarHBondContact O-CB 3.35Å; F41-L45 PolarHBondContact O-N 3.21Å; F41-L67 HydrophobicContact CE1-CD1 4.33Å; F41-F71 AromaticContact CD1-CE2 3.7Å; F41-F71 HydrophobicContact CD1-CE2 3.7Å; F41-F71 AromaticContact CD1-CZ 3.89Å; F41-F71 HydrophobicContact CD1-CZ 3.89Å; F41-F71 HydrophobicContact CE1-CE2 4.04Å; F41-F71 AromaticContact CE1-CZ 3.97Å; F41-F71 HydrophobicContact CE1-CZ 3.97Å
42V93.8Very high90.4Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-64.3-45.1178.8179.90000110.9E38 C39 L45 M46 P64 L67 F68 F71E38-V42 PolarHBondContact O-N 3.38Å; C39-V42 PolarHBondContact O-N 3.42Å; C39-V42 VanDerWaalsContact O-N 3.08Å; V42-L45 PolarHBondContact O-N 2.88Å; V42-M46 HydrophobicContact CG1-CG 4.33Å; V42-M46 HydrophobicContact CG1-SD 3.71Å; V42-M46 WeakPolarHBondContact O-CB 3.27Å; V42-M46 VanDerWaalsContact O-CG 3.24Å; V42-M46 WeakPolarHBondContact O-CG 3.46Å; V42-M46 PolarHBondContact O-N 3.5Å; V42-P64 HydrophobicContact CG1-CG 4.4Å; V42-L67 HydrophobicContact CG1-CD1 4.36Å; V42-L67 HydrophobicContact CG2-CB 3.69Å; V42-L67 HydrophobicContact CG2-CD1 3.87Å; V42-L67 HydrophobicContact CG2-CG 4.44Å; V42-F68 HydrophobicContact CB-CD1 4.38Å; V42-F68 HydrophobicContact CB-CE1 3.65Å; V42-F68 HydrophobicContact CG1-CD1 4.25Å; V42-F68 HydrophobicContact CG1-CE1 3.56Å; V42-F68 HydrophobicContact CG1-CZ 4.15Å; V42-F68 HydrophobicContact CG2-CD1 3.99Å; V42-F68 HydrophobicContact CG2-CE1 3.74Å; V42-F71 HydrophobicContact CG2-CD2 4.02Å; V42-F71 HydrophobicContact CG2-CE2 3.88Å
43L91Very high90.4Very high20 Ų2039.7 Ų39.711%0.10520%0.202CC..Hα-helixtrans-58.7-52.1177.7-175.7160.5000111.4C39 A40 L45 M46 A47 L470 M479C39-L43 PolarHBondContact O-N 2.88Å; A40-L43 PolarHBondContact O-N 3.07Å; L43-L45 PolarHBondContact O-N 3.48Å; L43-M46 PolarHBondContact O-N 2.91Å; L43-A47 VanDerWaalsContact O-CB 3.31Å; L43-A47 WeakPolarHBondContact O-CB 3.21Å; L43-A47 PolarHBondContact O-N 3.29Å; L43-L470 HydrophobicContact CB-CD2 4.27Å; L43-L470 HydrophobicContact CD1-CD2 3.84Å; L43-L470 HydrophobicContact CG-CD2 4.02Å; L43-M479 HydrophobicContact CB-CE 4.29Å; L43-M479 HydrophobicContact CD1-CE 4.25Å; L43-M479 HydrophobicContact CD1-SD 3.58Å; L43-M479 VanDerWaalsContact CD1-SD 3.58Å
44L91.4Very high90.5Very high73 Ų7331.9 Ų31.938%0.38218%0.176SC..Hα-helixtrans-64.9-41-179.3-70.6173.7000111.7L25 L28 A40 A47 V48L25-L44 HydrophobicContact CD1-CB 4.02Å; L25-L44 HydrophobicContact CD2-CB 4.4Å; L25-L44 HydrophobicContact CD2-CD1 4.32Å; L28-L44 HydrophobicContact CD1-CD1 4.34Å; A40-L44 WeakPolarHBondContact O-CB 3.26Å; A40-L44 VanDerWaalsContact O-CG 3.26Å; A40-L44 WeakPolarHBondContact O-CG 3.3Å; A40-L44 PolarHBondContact O-N 3.43Å; L44-A47 PolarHBondContact O-N 2.67Å; L44-V48 VanDerWaalsContact O-CG2 3.31Å; L44-V48 WeakPolarHBondContact O-CG2 3.48Å; L44-V48 PolarHBondContact O-N 3.12Å
45L93.7Very high90.4Very high7 Ų730.7 Ų30.74%0.03717%0.167CC..Hα-helixtrans-60.4-47.8176.5179.562.4000111.1I21 P22 L25 F41 V42 L43 V48 F49 L63 L67I21-L45 HydrophobicContact CG2-CD1 3.76Å; P22-L45 HydrophobicContact CB-CD1 4.4Å; P22-L45 HydrophobicContact CG-CD1 3.77Å; L25-L45 HydrophobicContact CD1-CB 4.19Å; F41-L45 HydrophobicContact CE1-CD2 3.98Å; F41-L45 HydrophobicContact CZ-CD2 4.12Å; F41-L45 WeakPolarHBondContact O-CB 3.35Å; F41-L45 PolarHBondContact O-N 3.21Å; V42-L45 PolarHBondContact O-N 2.88Å; L43-L45 PolarHBondContact O-N 3.48Å; L45-V48 PolarHBondContact O-N 3.11Å; L45-F49 HydrophobicContact CD1-CD1 4.34Å; L45-F49 HydrophobicContact CD1-CD2 4.25Å; L45-F49 HydrophobicContact CD1-CE1 3.84Å; L45-F49 HydrophobicContact CD1-CE2 3.72Å; L45-F49 HydrophobicContact CD1-CZ 3.5Å; L45-F49 HydrophobicContact CD2-CE2 4.48Å; L45-F49 HydrophobicContact CG-CD2 4.29Å; L45-F49 HydrophobicContact CG-CE2 4.01Å; L45-F49 HydrophobicContact CG-CZ 4.31Å; L45-F49 WeakPolarHBondContact O-CB 3.31Å; L45-F49 WeakPolarHBondContact O-CG 3.19Å; L45-F49 PolarHBondContact O-N 2.57Å; L45-L63 HydrophobicContact CD2-CD1 4.2Å; L45-L63 HydrophobicContact CG-CD1 4.28Å; L45-L67 HydrophobicContact CD2-CD1 4.05Å
46M92Very high90.4Very high0 Ų030.7 Ų30.70%018%0.175CC..Hα-helixtrans-63.6-44.4176.6-73.4176.968.700111.8V42 L43 V48 F49 W50 T60 L63 P64 L470V42-M46 HydrophobicContact CG1-CG 4.33Å; V42-M46 HydrophobicContact CG1-SD 3.71Å; V42-M46 WeakPolarHBondContact O-CB 3.27Å; V42-M46 VanDerWaalsContact O-CG 3.24Å; V42-M46 WeakPolarHBondContact O-CG 3.46Å; V42-M46 PolarHBondContact O-N 3.5Å; L43-M46 PolarHBondContact O-N 2.91Å; M46-V48 VanDerWaalsContact C-N 3.35Å; M46-V48 PolarHBondContact O-N 3.08Å; M46-F49 PolarHBondContact O-N 3.14Å; M46-W50 HydrophobicContact CB-CE3 4.27Å; M46-W50 HydrophobicContact CB-CZ3 4.31Å; M46-W50 HydrophobicContact CE-CH2 3.32Å; M46-W50 HydrophobicContact CE-CZ2 3.4Å; M46-W50 HydrophobicContact CE-CZ3 4.04Å; M46-W50 VanDerWaalsContact O-CB 3.26Å; M46-W50 WeakPolarHBondContact O-CB 3.44Å; M46-W50 PolarHBondContact O-N 3.37Å; M46-T60 HydrophobicContact CB-CG2 4.25Å; M46-T60 HydrophobicContact CG-CG2 4.2Å; M46-L63 HydrophobicContact CG-CB 4.04Å; M46-L63 HydrophobicContact CG-CD1 3.84Å; M46-L63 HydrophobicContact SD-CB 4.15Å; M46-P64 HydrophobicContact CE-CG 3.76Å; M46-P64 WeakPolarHBondContact SD-CD 3.38Å; M46-P64 HydrophobicContact SD-CG 3.4Å; M46-P64 WeakPolarHBondContact SD-CG 3.34Å; M46-L470 HydrophobicContact CB-CD1 4.48Å; M46-L470 HydrophobicContact CE-CD1 3.8Å; M46-L470 HydrophobicContact SD-CD1 3.63Å
47A88.6Confident90.2Very high17 Ų1730.7 Ų30.714%0.1417%0.174CC..Hα-helixtrans-58.3-46.5178.200000111.4L43 L44 W50 V51 I521L43-A47 VanDerWaalsContact O-CB 3.31Å; L43-A47 WeakPolarHBondContact O-CB 3.21Å; L43-A47 PolarHBondContact O-N 3.29Å; L44-A47 PolarHBondContact O-N 2.67Å; A47-W50 PolarHBondContact O-N 2.98Å; A47-V51 WeakPolarHBondContact O-CB 3.35Å; A47-V51 VanDerWaalsContact O-CG2 3.24Å; A47-V51 WeakPolarHBondContact O-CG2 2.79Å; A47-V51 PolarHBondContact O-N 3.19Å; A47-I521 HydrophobicContact CB-CD1 3.9Å; A47-I521 HydrophobicContact CB-CG1 4.2Å; A47-I521 HydrophobicContact CB-CG2 4.44Å
48V90.1Very high90Very high53 Ų5331.1 Ų31.132%0.32118%0.177SC..Hα-helixtrans-63.9-46.5176.61790000110.6I21 L44 L45 M46 W50 V51 T52I21-V48 HydrophobicContact CD1-CB 4.47Å; I21-V48 HydrophobicContact CD1-CG1 3.35Å; I21-V48 HydrophobicContact CG1-CG1 4.05Å; I21-V48 HydrophobicContact CG2-CB 4.18Å; I21-V48 HydrophobicContact CG2-CG1 4.02Å; L44-V48 VanDerWaalsContact O-CG2 3.31Å; L44-V48 WeakPolarHBondContact O-CG2 3.48Å; L44-V48 PolarHBondContact O-N 3.12Å; L45-V48 PolarHBondContact O-N 3.11Å; M46-V48 VanDerWaalsContact C-N 3.35Å; M46-V48 PolarHBondContact O-N 3.08Å; V48-W50 VanDerWaalsContact C-N 3.32Å; V48-W50 PolarHBondContact O-N 3.37Å; V48-V51 PolarHBondContact O-N 2.99Å; V48-T52 HydrophobicContact CG1-CG2 4.16Å; V48-T52 VanDerWaalsContact O-CB 3.31Å; V48-T52 WeakPolarHBondContact O-CB 3.44Å; V48-T52 VanDerWaalsContact O-CG2 3.31Å; V48-T52 WeakPolarHBondContact O-CG2 3.39Å; V48-T52 PolarHBondContact O-N 2.63Å; V48-T52 PolarHBondContact O-OG1 3.11Å
49F91.4Very high90Very high5 Ų534.5 Ų34.52%0.02219%0.194CC..Hα-helixtrans-65.6-32.8179.9-75.5-2.5000113.8V18 I21 P22 L45 M46 E53 I55 T60 L63V18-F49 HydrophobicContact CG1-CZ 4.45Å; V18-F49 HydrophobicContact CG2-CZ 4.49Å; I21-F49 HydrophobicContact CB-CE1 4.1Å; I21-F49 HydrophobicContact CD1-CD1 4.08Å; I21-F49 HydrophobicContact CD1-CE1 3.83Å; I21-F49 HydrophobicContact CG2-CE1 4.27Å; P22-F49 HydrophobicContact CG-CZ 4.22Å; L45-F49 HydrophobicContact CD1-CD1 4.34Å; L45-F49 HydrophobicContact CD1-CD2 4.25Å; L45-F49 HydrophobicContact CD1-CE1 3.84Å; L45-F49 HydrophobicContact CD1-CE2 3.72Å; L45-F49 HydrophobicContact CD1-CZ 3.5Å; L45-F49 HydrophobicContact CD2-CE2 4.48Å; L45-F49 HydrophobicContact CG-CD2 4.29Å; L45-F49 HydrophobicContact CG-CE2 4.01Å; L45-F49 HydrophobicContact CG-CZ 4.31Å; L45-F49 WeakPolarHBondContact O-CB 3.31Å; L45-F49 WeakPolarHBondContact O-CG 3.19Å; L45-F49 PolarHBondContact O-N 2.57Å; M46-F49 PolarHBondContact O-N 3.14Å; F49-E53 VanDerWaalsContact O-CA 3.29Å; F49-E53 WeakPolarHBondContact O-CA 3.49Å; F49-E53 PolarHBondContact O-N 3.26Å; F49-I55 HydrophobicContact CD2-CD1 3.81Å; F49-I55 HydrophobicContact CE2-CD1 3.67Å; F49-I55 HydrophobicContact CZ-CD1 4.32Å; F49-T60 HydrophobicContact CB-CG2 3.52Å; F49-T60 HydrophobicContact CD2-CG2 4.3Å; F49-T60 HydrophobicContact CG-CG2 4.46Å; F49-L63 HydrophobicContact CD2-CD1 3.82Å; F49-L63 HydrophobicContact CE2-CD1 4.12Å
50W88.1Confident90Very high0 Ų034.5 Ų34.50%019%0.194CC..Hα-helixtrans-72.7-44.1174.7-84.8-23000112.7M46 A47 V48 T52 E53 L57 T60 A61 L463 L470 A517 T520 I521M46-W50 HydrophobicContact CB-CE3 4.27Å; M46-W50 HydrophobicContact CB-CZ3 4.31Å; M46-W50 HydrophobicContact CE-CH2 3.32Å; M46-W50 HydrophobicContact CE-CZ2 3.4Å; M46-W50 HydrophobicContact CE-CZ3 4.04Å; M46-W50 VanDerWaalsContact O-CB 3.26Å; M46-W50 WeakPolarHBondContact O-CB 3.44Å; M46-W50 PolarHBondContact O-N 3.37Å; A47-W50 PolarHBondContact O-N 2.98Å; V48-W50 VanDerWaalsContact C-N 3.32Å; V48-W50 PolarHBondContact O-N 3.37Å; W50-T52 VanDerWaalsContact C-N 3.34Å; W50-E53 WeakPolarHBondContact O-CG 3.29Å; W50-E53 PolarHBondContact O-N 2.97Å; W50-L57 HydrophobicContact CB-CD2 4.36Å; W50-L57 HydrophobicContact CG-CD2 4.2Å; W50-L57 PolarHBondContact NE1-O 3.08Å; W50-L57 VanDerWaalsContact NE1-O 3.1Å; W50-T60 HydrophobicContact CD2-CG2 4.38Å; W50-T60 HydrophobicContact CG-CG2 4.09Å; W50-A61 HydrophobicContact CZ2-CB 4.04Å; W50-L463 HydrophobicContact CZ2-CD1 3.55Å; W50-L470 HydrophobicContact CH2-CD1 4.38Å; W50-L470 HydrophobicContact CZ3-CD1 4.35Å; W50-A517 HydrophobicContact CB-CB 3.75Å; W50-A517 HydrophobicContact CD2-CB 4.06Å; W50-A517 HydrophobicContact CG-CB 3.73Å; W50-T520 HydrophobicContact CH2-CG2 3.27Å; W50-T520 HydrophobicContact CZ2-CG2 4.2Å; W50-T520 HydrophobicContact CZ3-CG2 3.68Å; W50-I521 HydrophobicContact CE3-CD1 3.89Å; W50-I521 HydrophobicContact CE3-CG1 3.51Å; W50-I521 HydrophobicContact CZ3-CG1 3.76Å
51V84.4Confident90Very high49 Ų4934 Ų3430%0.29719%0.189SC..Hα-helixtrans-68.4-36.6178171.80000111.3A47 V48 L509 A513A47-V51 WeakPolarHBondContact O-CB 3.35Å; A47-V51 VanDerWaalsContact O-CG2 3.24Å; A47-V51 WeakPolarHBondContact O-CG2 2.79Å; A47-V51 PolarHBondContact O-N 3.19Å; V48-V51 PolarHBondContact O-N 2.99Å; V51-L509 HydrophobicContact CG2-CD1 4.37Å; V51-A513 HydrophobicContact CG2-CB 4.12Å
52T86.3Confident89.9Confident62 Ų6237.3 Ų37.338%0.3821%0.206SC..Hα-helixtrans-88.2-10.6-179.159.40000113.6V48 W50 V54V48-T52 HydrophobicContact CG1-CG2 4.16Å; V48-T52 VanDerWaalsContact O-CB 3.31Å; V48-T52 WeakPolarHBondContact O-CB 3.44Å; V48-T52 VanDerWaalsContact O-CG2 3.31Å; V48-T52 WeakPolarHBondContact O-CG2 3.39Å; V48-T52 PolarHBondContact O-N 2.63Å; V48-T52 PolarHBondContact O-OG1 3.11Å; W50-T52 VanDerWaalsContact C-N 3.34Å; T52-V54 PolarHBondContact O-N 2.71Å; T52-V54 WeakPolarHBondContact OG1-CG2 3.28Å
53E85.8Confident90Very high110 Ų11038.8 Ų38.851%0.51421%0.214SC..THydrogen-bonded Turntrans45.632.6-175.2-61.2-165.7-171.800114.2F49 W50 I55 L57F49-E53 VanDerWaalsContact O-CA 3.29Å; F49-E53 WeakPolarHBondContact O-CA 3.49Å; F49-E53 PolarHBondContact O-N 3.26Å; W50-E53 WeakPolarHBondContact O-CG 3.29Å; W50-E53 PolarHBondContact O-N 2.97Å; E53-I55 PolarHBondContact O-N 3.4Å; E53-L57 HydrophobicContact CG-CD2 4.07Å
54V87.5Confident90.2Very high31 Ų3137.8 Ų37.819%0.18821%0.209CC..SBendtrans-70.3-28.7-175.9-175.50000111.3S14 F17 V18 T52S14-V54 WeakPolarHBondContact O-CG1 3.46Å; F17-V54 HydrophobicContact CB-CG1 4.2Å; F17-V54 HydrophobicContact CB-CG2 4.13Å; V18-V54 HydrophobicContact CG2-CB 4.44Å; V18-V54 HydrophobicContact CG2-CG1 3.54Å; T52-V54 PolarHBondContact O-N 2.71Å; T52-V54 WeakPolarHBondContact OG1-CG2 3.28Å
55I89.5Confident90.3Very high40 Ų4036.4 Ų36.421%0.20521%0.208CC..SBendtrans-117.8142.5170.9-63.4179.3000107.1V18 F49 E53 L57 M59 T60V18-I55 HydrophobicContact CG1-CD1 4.29Å; V18-I55 HydrophobicContact CG2-CD1 3.97Å; V18-I55 HydrophobicContact CG2-CG1 3.84Å; F49-I55 HydrophobicContact CD2-CD1 3.81Å; F49-I55 HydrophobicContact CE2-CD1 3.67Å; F49-I55 HydrophobicContact CZ-CD1 4.32Å; E53-I55 PolarHBondContact O-N 3.4Å; I55-L57 PolarHBondContact O-N 3.48Å; I55-M59 HydrophobicContact CG2-CB 3.63Å; I55-T60 WeakPolarHBondContact CB-OG1 3.23Å; I55-T60 PolarHBondContact O-OG1 2.95Å
56P89.4Confident90.4Very high86 Ų8640.9 Ų40.956%0.55823%0.231SC*.  trans-50.2134.2175.7-27.734.9000112S58 M59 T60P56-S58 PolarHBondContact O-N 3.46Å; P56-M59 HydrophobicContact CB-CB 4.45Å; P56-M59 HydrophobicContact CB-CG 4.27Å; P56-M59 WeakPolarHBondContact O-CA 3.4Å; P56-M59 WeakPolarHBondContact O-CB 3.39Å; P56-M59 PolarHBondContact O-N 3.16Å; P56-T60 PolarHBondContact O-N 2.97Å
57L87.1Confident90.6Very high34 Ų3441.9 Ų41.918%0.17824%0.236CC..Hα-helixtrans-48.5-43.1-171.7-64.1175.5000113.8W50 E53 I55 T60 A61 L463 S514 A517W50-L57 HydrophobicContact CB-CD2 4.36Å; W50-L57 HydrophobicContact CG-CD2 4.2Å; W50-L57 PolarHBondContact NE1-O 3.08Å; W50-L57 VanDerWaalsContact NE1-O 3.1Å; E53-L57 HydrophobicContact CG-CD2 4.07Å; I55-L57 PolarHBondContact O-N 3.48Å; L57-T60 PolarHBondContact O-N 3.14Å; L57-A61 WeakPolarHBondContact O-CB 3.42Å; L57-A61 PolarHBondContact O-N 3.42Å; L57-L463 HydrophobicContact CB-CD1 4.28Å; L57-S514 WeakPolarHBondContact CD1-OG 3.23Å; L57-A517 HydrophobicContact CD2-CB 4.16Å
58S88.8Confident90.9Very high15 Ų1541 Ų4111%0.10523%0.23CC..Hα-helixtrans-68.2-31.8178.755.60000113.5P56 A61 M62P56-S58 PolarHBondContact O-N 3.46Å; S58-A61 WeakPolarHBondContact O-CB 3.47Å; S58-A61 PolarHBondContact O-N 3.26Å; S58-M62 WeakPolarHBondContact O-CG 3.22Å; S58-M62 PolarHBondContact O-N 3.02Å
59M92.4Very high91.2Very high102 Ų10240.6 Ų40.650%0.50223%0.228SC..Hα-helixtrans-75.8-39.8175.9-67.9-56.3-58.700111.2I55 P56 A61 M62I55-M59 HydrophobicContact CG2-CB 3.63Å; P56-M59 HydrophobicContact CB-CB 4.45Å; P56-M59 HydrophobicContact CB-CG 4.27Å; P56-M59 WeakPolarHBondContact O-CA 3.4Å; P56-M59 WeakPolarHBondContact O-CB 3.39Å; P56-M59 PolarHBondContact O-N 3.16Å; M59-A61 PolarHBondContact O-N 3.29Å; M59-M62 HydrophobicContact CE-SD 4.25Å; M59-M62 WeakPolarHBondContact O-CB 3.35Å; M59-M62 PolarHBondContact O-N 2.92Å; M59-M62 HydrophobicContact SD-SD 4.04Å
60T92.4Very high91.3Very high0 Ų046.7 Ų46.70%026%0.258CS..Hα-helixtrans-58.3-40.5169.7-57.50000110.6M46 F49 W50 I55 P56 L57 M62 L63M46-T60 HydrophobicContact CB-CG2 4.25Å; M46-T60 HydrophobicContact CG-CG2 4.2Å; F49-T60 HydrophobicContact CB-CG2 3.52Å; F49-T60 HydrophobicContact CD2-CG2 4.3Å; F49-T60 HydrophobicContact CG-CG2 4.46Å; W50-T60 HydrophobicContact CD2-CG2 4.38Å; W50-T60 HydrophobicContact CG-CG2 4.09Å; I55-T60 WeakPolarHBondContact CB-OG1 3.23Å; I55-T60 PolarHBondContact O-OG1 2.95Å; P56-T60 PolarHBondContact O-N 2.97Å; L57-T60 PolarHBondContact O-N 3.14Å; T60-M62 PolarHBondContact O-N 3Å; T60-L63 HydrophobicContact CG2-CD1 4.17Å; T60-L63 VanDerWaalsContact O-CB 3.26Å; T60-L63 WeakPolarHBondContact O-CB 3.39Å; T60-L63 VanDerWaalsContact O-CG 3.29Å; T60-L63 WeakPolarHBondContact O-CG 3.46Å; T60-L63 PolarHBondContact O-N 2.88Å
61A91.4Very high91.6Very high0 Ų048.9 Ų48.90%027%0.268CS..THydrogen-bonded Turntrans-61.7-21.4176.500000113.5W50 L57 S58 M59 L63 P64 Y83 L463 G466W50-A61 HydrophobicContact CZ2-CB 4.04Å; L57-A61 WeakPolarHBondContact O-CB 3.42Å; L57-A61 PolarHBondContact O-N 3.42Å; S58-A61 WeakPolarHBondContact O-CB 3.47Å; S58-A61 PolarHBondContact O-N 3.26Å; M59-A61 PolarHBondContact O-N 3.29Å; A61-L63 VanDerWaalsContact C-N 3.33Å; A61-P64 WeakPolarHBondContact O-CD 3.39Å; A61-Y83 PolarHBondContact O-OH 3.28Å; A61-L463 HydrophobicContact CB-CB 4.46Å; A61-L463 HydrophobicContact CB-CD1 3.88Å; A61-G466 WeakPolarHBondContact O-CA 3.42Å
62M93.8Very high92Very high80 Ų8048.7 Ų48.739%0.39428%0.276SS..THydrogen-bonded Turntrans-81.2-7.6175.4-65-178.276.500113.8S58 M59 T60 P64 A65 L66 Y83S58-M62 WeakPolarHBondContact O-CG 3.22Å; S58-M62 PolarHBondContact O-N 3.02Å; M59-M62 HydrophobicContact CE-SD 4.25Å; M59-M62 WeakPolarHBondContact O-CB 3.35Å; M59-M62 PolarHBondContact O-N 2.92Å; M59-M62 HydrophobicContact SD-SD 4.04Å; T60-M62 PolarHBondContact O-N 3Å; M62-P64 VanDerWaalsContact C-CD 3.43Å; M62-A65 WeakPolarHBondContact O-CB 3.41Å; M62-A65 PolarHBondContact O-N 3.47Å; M62-L66 PolarHBondContact O-N 3.33Å; M62-Y83 WeakPolarHBondContact CA-OH 3.44Å; M62-Y83 HydrophobicContact CG-CE1 4.33Å
63L94.7Very high92.3Very high30 Ų3046.5 Ų46.516%0.15726%0.261CS..Hα-helixtrans-56.2-39.6179.5-74176.7000114.2L45 M46 F49 T60 A61 A65 L66 L67L45-L63 HydrophobicContact CD2-CD1 4.2Å; L45-L63 HydrophobicContact CG-CD1 4.28Å; M46-L63 HydrophobicContact CG-CB 4.04Å; M46-L63 HydrophobicContact CG-CD1 3.84Å; M46-L63 HydrophobicContact SD-CB 4.15Å; F49-L63 HydrophobicContact CD2-CD1 3.82Å; F49-L63 HydrophobicContact CE2-CD1 4.12Å; T60-L63 HydrophobicContact CG2-CD1 4.17Å; T60-L63 VanDerWaalsContact O-CB 3.26Å; T60-L63 WeakPolarHBondContact O-CB 3.39Å; T60-L63 VanDerWaalsContact O-CG 3.29Å; T60-L63 WeakPolarHBondContact O-CG 3.46Å; T60-L63 PolarHBondContact O-N 2.88Å; A61-L63 VanDerWaalsContact C-N 3.33Å; L63-A65 VanDerWaalsContact C-N 3.27Å; L63-A65 PolarHBondContact O-N 3.45Å; L63-L66 PolarHBondContact O-N 3.16Å; L63-L66 VanDerWaalsContact O-N 3.1Å; L63-L67 HydrophobicContact CB-CD1 4.28Å; L63-L67 HydrophobicContact CD2-CD1 4.36Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 WeakPolarHBondContact O-CG 3.35Å; L63-L67 PolarHBondContact O-N 3.21Å
64P94.9Very high92.8Very high0 Ų042 Ų420%024%0.24CC..Hα-helixtrans-57.6-38.2173.8-27.338.6000112.9V42 M46 A61 M62 L66 L67 F68 A469V42-P64 HydrophobicContact CG1-CG 4.4Å; M46-P64 HydrophobicContact CE-CG 3.76Å; M46-P64 WeakPolarHBondContact SD-CD 3.38Å; M46-P64 HydrophobicContact SD-CG 3.4Å; M46-P64 WeakPolarHBondContact SD-CG 3.34Å; A61-P64 WeakPolarHBondContact O-CD 3.39Å; M62-P64 VanDerWaalsContact C-CD 3.43Å; P64-L66 PolarHBondContact O-N 2.8Å; P64-L67 PolarHBondContact O-N 3.08Å; P64-F68 HydrophobicContact CB-CD2 3.79Å; P64-F68 HydrophobicContact CB-CE2 3.68Å; P64-F68 HydrophobicContact CB-CG 4.25Å; P64-F68 HydrophobicContact CB-CZ 4.07Å; P64-F68 HydrophobicContact CG-CE2 4.48Å; P64-F68 VanDerWaalsContact O-CB 3.25Å; P64-F68 WeakPolarHBondContact O-CB 3.33Å; P64-F68 WeakPolarHBondContact O-CG 3.21Å; P64-F68 PolarHBondContact O-N 3.45Å; P64-A469 HydrophobicContact CB-CB 3.65Å; P64-A469 HydrophobicContact CG-CB 4.27Å
65A94.9Very high93.2Very high44 Ų4447.9 Ų47.936%0.36426%0.263SS..Hα-helixtrans-63.4-27.8178.600000112.7M62 L63 P69 V79 Y83M62-A65 WeakPolarHBondContact O-CB 3.41Å; M62-A65 PolarHBondContact O-N 3.47Å; L63-A65 VanDerWaalsContact C-N 3.27Å; L63-A65 PolarHBondContact O-N 3.45Å; A65-P69 WeakPolarHBondContact O-CD 3.26Å; A65-V79 HydrophobicContact CB-CG1 4.16Å; A65-Y83 HydrophobicContact CB-CE2 3.99Å
66L95.3Very high93.4Very high101 Ų10149.9 Ų49.953%0.52928%0.281SS..Hα-helixtrans-87.8-52.4175-177.168000111.8M62 L63 P64 M70M62-L66 PolarHBondContact O-N 3.33Å; L63-L66 PolarHBondContact O-N 3.16Å; L63-L66 VanDerWaalsContact O-N 3.1Å; P64-L66 PolarHBondContact O-N 2.8Å; L66-M70 HydrophobicContact CD1-SD 4.06Å; L66-M70 HydrophobicContact CG-SD 3.98Å; L66-M70 WeakPolarHBondContact O-CG 3.43Å
67L95.6Very high93.6Very high20 Ų2048.9 Ų48.911%0.10528%0.276CS..Hα-helixtrans-83.2-33-165.3-63.5178.3000113.2F41 V42 L45 L63 P64 M70 F71F41-L67 HydrophobicContact CE1-CD1 4.33Å; V42-L67 HydrophobicContact CG1-CD1 4.36Å; V42-L67 HydrophobicContact CG2-CB 3.69Å; V42-L67 HydrophobicContact CG2-CD1 3.87Å; V42-L67 HydrophobicContact CG2-CG 4.44Å; L45-L67 HydrophobicContact CD2-CD1 4.05Å; L63-L67 HydrophobicContact CB-CD1 4.28Å; L63-L67 HydrophobicContact CD2-CD1 4.36Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 WeakPolarHBondContact O-CG 3.35Å; L63-L67 PolarHBondContact O-N 3.21Å; P64-L67 PolarHBondContact O-N 3.08Å; L67-M70 HydrophobicContact CD2-SD 4.46Å; L67-M70 PolarHBondContact O-N 2.98Å; L67-F71 HydrophobicContact CB-CD2 4.15Å; L67-F71 HydrophobicContact CB-CE2 4Å; L67-F71 HydrophobicContact CD2-CE2 4.34Å; L67-F71 WeakPolarHBondContact O-CB 3.42Å; L67-F71 VanDerWaalsContact O-CD2 3.24Å; L67-F71 WeakPolarHBondContact O-CD2 3.49Å; L67-F71 WeakPolarHBondContact O-CG 3.44Å; L67-F71 PolarHBondContact O-N 2.86Å
68F95.7Very high93.9Very high0 Ų050.6 Ų50.60%029%0.285CS..Hα-helixtrans-67.1-42.2-179.5-68.5-8.8000113.5V42 P64 M70 G72 I73 M74 V79 A469V42-F68 HydrophobicContact CB-CD1 4.38Å; V42-F68 HydrophobicContact CB-CE1 3.65Å; V42-F68 HydrophobicContact CG1-CD1 4.25Å; V42-F68 HydrophobicContact CG1-CE1 3.56Å; V42-F68 HydrophobicContact CG1-CZ 4.15Å; V42-F68 HydrophobicContact CG2-CD1 3.99Å; V42-F68 HydrophobicContact CG2-CE1 3.74Å; P64-F68 HydrophobicContact CB-CD2 3.79Å; P64-F68 HydrophobicContact CB-CE2 3.68Å; P64-F68 HydrophobicContact CB-CG 4.25Å; P64-F68 HydrophobicContact CB-CZ 4.07Å; P64-F68 HydrophobicContact CG-CE2 4.48Å; P64-F68 VanDerWaalsContact O-CB 3.25Å; P64-F68 WeakPolarHBondContact O-CB 3.33Å; P64-F68 WeakPolarHBondContact O-CG 3.21Å; P64-F68 PolarHBondContact O-N 3.45Å; F68-M70 VanDerWaalsContact C-N 3.34Å; F68-G72 PolarHBondContact O-N 3.02Å; F68-I73 HydrophobicContact CB-CB 4.23Å; F68-I73 HydrophobicContact CD1-CB 4.48Å; F68-I73 HydrophobicContact CD1-CD1 3.66Å; F68-I73 HydrophobicContact CE1-CD1 4.02Å; F68-I73 HydrophobicContact CG-CB 4.41Å; F68-I73 HydrophobicContact CG-CD1 4.41Å; F68-I73 PolarHBondContact O-N 3.25Å; F68-M74 HydrophobicContact CB-CB 4.36Å; F68-M74 HydrophobicContact CD2-SD 3.99Å; F68-M74 HydrophobicContact CE2-SD 4.47Å; F68-M74 PolarHBondContact O-N 3.49Å; F68-V79 HydrophobicContact CB-CG2 4.06Å; F68-V79 HydrophobicContact CD2-CG2 4.41Å; F68-A469 VanDerWaalsContact CE2-O 3.27Å; F68-A469 WeakPolarHBondContact CE2-O 3.49Å
69P96.1Very high94.2Very high44 Ų4449.9 Ų49.929%0.28628%0.28SS..Hα-helixtrans-65.2-38171.6-23.236.2000112.5A65 G72 M74 V79A65-P69 WeakPolarHBondContact O-CD 3.26Å; P69-G72 PolarHBondContact O-N 3.39Å; P69-G72 VanDerWaalsContact O-N 3.1Å; P69-M74 VanDerWaalsContact CA-O 3.29Å; P69-M74 WeakPolarHBondContact CA-O 3.35Å; P69-V79 HydrophobicContact CG-CG2 4.34Å
70M94.4Very high94.2Very high133 Ų13348 Ų4866%0.65528%0.281SS*.Hα-helixtrans-65-42.4179.1-75.3178.564.900112.9L66 L67 F68 G72L66-M70 HydrophobicContact CD1-SD 4.06Å; L66-M70 HydrophobicContact CG-SD 3.98Å; L66-M70 WeakPolarHBondContact O-CG 3.43Å; L67-M70 HydrophobicContact CD2-SD 4.46Å; L67-M70 PolarHBondContact O-N 2.98Å; F68-M70 VanDerWaalsContact C-N 3.34Å; M70-G72 PolarHBondContact O-N 2.97Å
71F93.9Very high94.2Very high46 Ų4654.3 Ų54.320%0.20231%0.309CS..THydrogen-bonded Turntrans-79.4-5.1173.8-65.3-44.5000112.4P29 K35 E38 F41 V42 L67 I73P29-F71 HydrophobicContact CB-CE1 4.32Å; K35-F71 PolarHBondContact NZ-O 3.32Å; E38-F71 HydrophobicContact CB-CB 4Å; E38-F71 HydrophobicContact CB-CD2 4.28Å; E38-F71 HydrophobicContact CB-CG 4.06Å; E38-F71 HydrophobicContact CG-CB 4.22Å; E38-F71 HydrophobicContact CG-CD1 4.3Å; E38-F71 HydrophobicContact CG-CG 4.23Å; E38-F71 VanDerWaalsContact OE2-O 3.05Å; F41-F71 AromaticContact CD1-CE2 3.7Å; F41-F71 HydrophobicContact CD1-CE2 3.7Å; F41-F71 AromaticContact CD1-CZ 3.89Å; F41-F71 HydrophobicContact CD1-CZ 3.89Å; F41-F71 HydrophobicContact CE1-CE2 4.04Å; F41-F71 AromaticContact CE1-CZ 3.97Å; F41-F71 HydrophobicContact CE1-CZ 3.97Å; V42-F71 HydrophobicContact CG2-CD2 4.02Å; V42-F71 HydrophobicContact CG2-CE2 3.88Å; L67-F71 HydrophobicContact CB-CD2 4.15Å; L67-F71 HydrophobicContact CB-CE2 4Å; L67-F71 HydrophobicContact CD2-CE2 4.34Å; L67-F71 WeakPolarHBondContact O-CB 3.42Å; L67-F71 VanDerWaalsContact O-CD2 3.24Å; L67-F71 WeakPolarHBondContact O-CD2 3.49Å; L67-F71 WeakPolarHBondContact O-CG 3.44Å; L67-F71 PolarHBondContact O-N 2.86Å; F71-I73 VanDerWaalsContact C-N 3.29Å; F71-I73 HydrophobicContact CB-CD1 3.97Å; F71-I73 HydrophobicContact CB-CG1 4.02Å; F71-I73 HydrophobicContact CD2-CD1 4.44Å; F71-I73 PolarHBondContact O-N 3.01Å
72G92.3Very high94.1Very high45 Ų4555.2 Ų55.246%0.46431%0.313SS..THydrogen-bonded Turntrans62.436.4-177.400000112.8K35 F68 P69 M70K35-G72 VanDerWaalsContact CE-O 3.29Å; K35-G72 WeakPolarHBondContact CE-O 3.33Å; K35-G72 PolarHBondContact NZ-O 2.94Å; F68-G72 PolarHBondContact O-N 3.02Å; P69-G72 PolarHBondContact O-N 3.39Å; P69-G72 VanDerWaalsContact O-N 3.1Å; M70-G72 PolarHBondContact O-N 2.97Å
73I93.6Very high94Very high15 Ų1552.7 Ų52.78%0.07730%0.299CS..SBendtrans-81.3-47171.6-61.6164.2000109K35 E38 C39 F68 F71K35-I73 HydrophobicContact CD-CG1 4.38Å; E38-I73 HydrophobicContact CB-CD1 4Å; E38-I73 HydrophobicContact CB-CG1 4.41Å; C39-I73 HydrophobicContact CB-CD1 3.89Å; F68-I73 HydrophobicContact CB-CB 4.23Å; F68-I73 HydrophobicContact CD1-CB 4.48Å; F68-I73 HydrophobicContact CD1-CD1 3.66Å; F68-I73 HydrophobicContact CE1-CD1 4.02Å; F68-I73 HydrophobicContact CG-CB 4.41Å; F68-I73 HydrophobicContact CG-CD1 4.41Å; F68-I73 PolarHBondContact O-N 3.25Å; F71-I73 VanDerWaalsContact C-N 3.29Å; F71-I73 HydrophobicContact CB-CD1 3.97Å; F71-I73 HydrophobicContact CB-CG1 4.02Å; F71-I73 HydrophobicContact CD2-CD1 4.44Å; F71-I73 PolarHBondContact O-N 3.01Å
74M94.8Very high93.7Very high15 Ų1557.4 Ų57.47%0.07432%0.318CS..SBendtrans-140.1148.3179.6-71172.177.300111F68 P69 N78 V79 E82 E472 E476F68-M74 HydrophobicContact CB-CB 4.36Å; F68-M74 HydrophobicContact CD2-SD 3.99Å; F68-M74 HydrophobicContact CE2-SD 4.47Å; F68-M74 PolarHBondContact O-N 3.49Å; P69-M74 VanDerWaalsContact CA-O 3.29Å; P69-M74 WeakPolarHBondContact CA-O 3.35Å; M74-N78 HydrophobicContact CE-CB 4.15Å; M74-V79 HydrophobicContact CB-CG2 3.47Å; M74-V79 VanDerWaalsContact CB-CG2 3.47Å; M74-V79 HydrophobicContact CE-CG2 4.24Å; M74-V79 HydrophobicContact CG-CG2 4.43Å; M74-V79 HydrophobicContact SD-CG2 4.15Å; M74-E82 HydrophobicContact CE-CG 4.35Å; M74-E472 HydrophobicContact CE-CB 3.97Å; M74-E472 HydrophobicContact CE-CG 3.42Å; M74-E472 VanDerWaalsContact CE-CG 3.42Å; M74-E472 HydrophobicContact SD-CB 4.27Å; M74-E472 HydrophobicContact SD-CG 4.1Å; M74-E476 HydrophobicContact CG-CB 4.32Å; M74-E476 HydrophobicContact CG-CG 4.21Å
75K95.6Very high93.3Very high155 Ų15560.1 Ų60.167%0.67433%0.33SS*.  trans-66.2143.3171-66.4-179.6-178.4175.20110.3S77 N78 V79K75-S77 PolarHBondContact O-N 3.24Å; K75-N78 WeakPolarHBondContact O-CA 3.35Å; K75-N78 WeakPolarHBondContact O-CB 3.47Å; K75-N78 PolarHBondContact O-N 2.92Å; K75-V79 PolarHBondContact O-N 3.21Å
76S94.9Very high92.7Very high82 Ų8260.9 Ų60.957%0.57333%0.328SS*.Hα-helixtrans-54.7-37.5-179.856.60000113.6N78 V79 A80S76-N78 VanDerWaalsContact C-N 3.3Å; S76-N78 PolarHBondContact O-N 3.34Å; S76-V79 PolarHBondContact O-N 3.26Å; S76-A80 WeakPolarHBondContact O-CB 3.43Å; S76-A80 PolarHBondContact O-N 3.04Å
77S94.3Very high92Very high65 Ų6556.3 Ų56.346%0.45530%0.304SS..Hα-helixtrans-63.7-33.5175.3590000113.4K75 K81K75-S77 PolarHBondContact O-N 3.24Å; S77-K81 WeakPolarHBondContact O-CG 3.32Å; S77-K81 PolarHBondContact O-N 3.26Å
78N92.9Very high91.6Very high70 Ų7056 Ų5637%0.37430%0.302SS..Hα-helixtrans-77-44.4179.2-66.22.4000109.4M74 K75 S76 A80 K81 E82M74-N78 HydrophobicContact CE-CB 4.15Å; K75-N78 WeakPolarHBondContact O-CA 3.35Å; K75-N78 WeakPolarHBondContact O-CB 3.47Å; K75-N78 PolarHBondContact O-N 2.92Å; S76-N78 VanDerWaalsContact C-N 3.3Å; S76-N78 PolarHBondContact O-N 3.34Å; N78-A80 VanDerWaalsContact C-N 3.29Å; N78-A80 PolarHBondContact O-N 3.06Å; N78-K81 WeakPolarHBondContact O-CB 3.43Å; N78-K81 PolarHBondContact O-N 3.23Å; N78-K81 VanDerWaalsContact O-N 3.16Å; N78-E82 PolarHBondContact O-N 2.93Å
79V93.9Very high91.4Very high1 Ų160 Ų601%0.00632%0.319CS..Hα-helixtrans-59.1-42.8175-174.20000111A65 F68 P69 M74 K75 S76 K81 E82 Y83 A469A65-V79 HydrophobicContact CB-CG1 4.16Å; F68-V79 HydrophobicContact CB-CG2 4.06Å; F68-V79 HydrophobicContact CD2-CG2 4.41Å; P69-V79 HydrophobicContact CG-CG2 4.34Å; M74-V79 HydrophobicContact CB-CG2 3.47Å; M74-V79 VanDerWaalsContact CB-CG2 3.47Å; M74-V79 HydrophobicContact CE-CG2 4.24Å; M74-V79 HydrophobicContact CG-CG2 4.43Å; M74-V79 HydrophobicContact SD-CG2 4.15Å; K75-V79 PolarHBondContact O-N 3.21Å; S76-V79 PolarHBondContact O-N 3.26Å; V79-K81 VanDerWaalsContact C-N 3.31Å; V79-K81 PolarHBondContact O-N 3.32Å; V79-E82 WeakPolarHBondContact O-CB 3.4Å; V79-E82 PolarHBondContact O-N 3.2Å; V79-E82 VanDerWaalsContact O-N 3.09Å; V79-Y83 HydrophobicContact CG1-CE2 3.94Å; V79-Y83 VanDerWaalsContact O-CD2 3.3Å; V79-Y83 WeakPolarHBondContact O-CD2 3.38Å; V79-A469 HydrophobicContact CG1-CB 3.98Å
80A93.4Very high91Very high62 Ų6258.9 Ų58.951%0.51231%0.311SS..Hα-helixtrans-61.4-35.1178.500000113.5S76 N78 E82 Y83S76-A80 WeakPolarHBondContact O-CB 3.43Å; S76-A80 PolarHBondContact O-N 3.04Å; N78-A80 VanDerWaalsContact C-N 3.29Å; N78-A80 PolarHBondContact O-N 3.06Å; A80-E82 PolarHBondContact O-N 3.45Å; A80-Y83 PolarHBondContact O-N 3.23Å; A80-Y83 VanDerWaalsContact O-N 3.14Å
81K92.1Very high90.6Very high133 Ų13352.9 Ų52.958%0.57828%0.282SS*.Hα-helixtrans-63.6-29.7175.8-73171.4-177.4-178.80112.2S77 N78 V79 Y83 F84 K85S77-K81 WeakPolarHBondContact O-CG 3.32Å; S77-K81 PolarHBondContact O-N 3.26Å; N78-K81 WeakPolarHBondContact O-CB 3.43Å; N78-K81 PolarHBondContact O-N 3.23Å; N78-K81 VanDerWaalsContact O-N 3.16Å; V79-K81 VanDerWaalsContact C-N 3.31Å; V79-K81 PolarHBondContact O-N 3.32Å; K81-Y83 PolarHBondContact O-N 3.05Å; K81-F84 PolarHBondContact O-N 2.81Å; K81-K85 VanDerWaalsContact O-CE 3.22Å; K81-K85 WeakPolarHBondContact O-CE 3.23Å
82E89.4Confident90.5Very high18 Ų1853.1 Ų53.18%0.08428%0.284CS..Hα-helixtrans-69-19.1176.7-57.5-46.412100113.1M74 N78 V79 A80 K85 F468 A469 E472M74-E82 HydrophobicContact CE-CG 4.35Å; N78-E82 PolarHBondContact O-N 2.93Å; V79-E82 WeakPolarHBondContact O-CB 3.4Å; V79-E82 PolarHBondContact O-N 3.2Å; V79-E82 VanDerWaalsContact O-N 3.09Å; A80-E82 PolarHBondContact O-N 3.45Å; E82-K85 VanDerWaalsContact CD-CE 3.48Å; E82-K85 WeakPolarHBondContact OE1-CE 3.28Å; E82-K85 IonicContact OE1-NZ 3.54Å; E82-K85 PolarHBondContact OE1-NZ 3.36Å; E82-K85 WeakPolarHBondContact OE2-CE 3.29Å; E82-K85 IonicContact OE2-NZ 2.76Å; E82-K85 PolarHBondContact OE2-NZ 3.07Å; E82-F468 HydrophobicContact CB-CB 4.06Å; E82-F468 WeakPolarHBondContact O-CD2 3.23Å; E82-A469 HydrophobicContact CB-CB 4.11Å; E82-E472 HydrophobicContact CG-CB 4.29Å
83Y90.9Very high90.4Very high28 Ų2851 Ų5111%0.1126%0.262CS..THydrogen-bonded Turntrans-85.4-10.7178.6-76.2-103.8000114.5A61 M62 A65 V79 A80 K81 H88 A469A61-Y83 PolarHBondContact O-OH 3.28Å; M62-Y83 WeakPolarHBondContact CA-OH 3.44Å; M62-Y83 HydrophobicContact CG-CE1 4.33Å; A65-Y83 HydrophobicContact CB-CE2 3.99Å; V79-Y83 HydrophobicContact CG1-CE2 3.94Å; V79-Y83 VanDerWaalsContact O-CD2 3.3Å; V79-Y83 WeakPolarHBondContact O-CD2 3.38Å; A80-Y83 PolarHBondContact O-N 3.23Å; A80-Y83 VanDerWaalsContact O-N 3.14Å; K81-Y83 PolarHBondContact O-N 3.05Å; Y83-H88 PolarHBondContact O-CE1 2.98Å; Y83-H88 PolarHBondContact O-NE2 2.76Å; Y83-H88 VanDerWaalsContact O-NE2 3.15Å; Y83-A469 HydrophobicContact CE2-CB 3.79Å
84F89.5Confident90.2Very high129 Ų12950.9 Ų50.957%0.56626%0.262SS*.SBendtrans-141.593.8-179.4-158.1-93.3000111.6K81 H88 F89K81-F84 PolarHBondContact O-N 2.81Å; F84-H88 HydrophobicContact CD2-CB 4.01Å; F84-H88 AromaticContact CD2-CD2 3.86Å; F84-H88 AromaticContact CD2-CG 3.79Å; F84-H88 HydrophobicContact CE2-CB 3.68Å; F84-H88 AromaticContact CE2-CG 3.92Å; F84-H88 HydrophobicContact CZ-CB 3.96Å; F84-F89 HydrophobicContact CE1-CE1 4.27Å; F84-F89 HydrophobicContact CE1-CE2 4.05Å; F84-F89 AromaticContact CE1-CZ 3.77Å; F84-F89 HydrophobicContact CE1-CZ 3.77Å; F84-F89 HydrophobicContact CZ-CE1 4.41Å; F84-F89 HydrophobicContact CZ-CZ 4.35Å
85K85.1Confident90Very high56 Ų5651.2 Ų51.224%0.24326%0.264CS..  trans-119.8177.1-176-61.7-87.3-176.6163.60111.9K81 E82 F87 H88 E288 F468K81-K85 VanDerWaalsContact O-CE 3.22Å; K81-K85 WeakPolarHBondContact O-CE 3.23Å; E82-K85 VanDerWaalsContact CD-CE 3.48Å; E82-K85 WeakPolarHBondContact OE1-CE 3.28Å; E82-K85 IonicContact OE1-NZ 3.54Å; E82-K85 PolarHBondContact OE1-NZ 3.36Å; E82-K85 WeakPolarHBondContact OE2-CE 3.29Å; E82-K85 IonicContact OE2-NZ 2.76Å; E82-K85 PolarHBondContact OE2-NZ 3.07Å; K85-F87 PolarHBondContact O-N 3.17Å; K85-F87 VanDerWaalsContact O-N 3.08Å; K85-H88 PolarHBondContact N-ND1 3.5Å; K85-H88 WeakPolarHBondContact O-CB 3.22Å; K85-H88 PolarHBondContact O-N 3.41Å; K85-H88 PolarHBondContact O-ND1 3.42Å; K85-E288 WeakPolarHBondContact CB-OE1 3.26Å; K85-F468 HydrophobicContact CG-CD2 4.45Å
86D82.6Confident90Very high61 Ų6143.9 Ų43.933%0.32623%0.232SC..Hα-helixtrans-51.5-34.8-178-165.246.7000112.9H88 F89 L90 T406 A408D86-H88 PolarHBondContact O-N 3.5Å; D86-H88 VanDerWaalsContact O-N 3.13Å; D86-F89 WeakPolarHBondContact O-CB 3.23Å; D86-F89 PolarHBondContact O-N 2.99Å; D86-L90 PolarHBondContact O-N 3.47Å; D86-L90 VanDerWaalsContact O-N 3.14Å; D86-T406 PolarHBondContact OD1-OG1 2.91Å; D86-T406 VanDerWaalsContact OD2-CB 3.24Å; D86-T406 WeakPolarHBondContact OD2-CB 3.45Å; D86-T406 WeakPolarHBondContact OD2-CG2 3.34Å; D86-T406 PolarHBondContact OD2-OG1 2.9Å; D86-A408 VanDerWaalsContact OD1-CB 3.29Å; D86-A408 WeakPolarHBondContact OD1-CB 3.24Å; D86-A408 WeakPolarHBondContact OD2-CB 3.29Å
87F82.1Confident89.8Confident5 Ų540.4 Ų40.42%0.02221%0.207CC..Hα-helixtrans-44.1-42.3168.7168.3-108.9000115.1K85 F89 L90 L91 L284 E288 V464K85-F87 PolarHBondContact O-N 3.17Å; K85-F87 VanDerWaalsContact O-N 3.08Å; F87-F89 VanDerWaalsContact C-N 3.28Å; F87-F89 PolarHBondContact O-N 3.42Å; F87-L90 WeakPolarHBondContact O-CB 3.43Å; F87-L90 PolarHBondContact O-N 2.84Å; F87-L91 HydrophobicContact CE1-CD2 4.16Å; F87-L91 HydrophobicContact CE2-CB 4.24Å; F87-L91 HydrophobicContact CZ-CB 4.18Å; F87-L91 HydrophobicContact CZ-CD2 3.89Å; F87-L91 HydrophobicContact CZ-CG 4.45Å; F87-L91 WeakPolarHBondContact O-CB 3.26Å; F87-L91 PolarHBondContact O-N 3.33Å; F87-L284 HydrophobicContact CD2-CB 4.31Å; F87-L284 HydrophobicContact CD2-CD2 4.44Å; F87-L284 HydrophobicContact CE2-CB 3.52Å; F87-L284 HydrophobicContact CE2-CD1 3.83Å; F87-L284 HydrophobicContact CE2-CD2 3.88Å; F87-L284 HydrophobicContact CE2-CG 3.9Å; F87-L284 HydrophobicContact CZ-CB 4.11Å; F87-L284 HydrophobicContact CZ-CD1 4.2Å; F87-E288 HydrophobicContact CB-CB 3.96Å; F87-E288 HydrophobicContact CB-CG 3.72Å; F87-E288 WeakPolarHBondContact CB-OE2 3.19Å; F87-E288 HydrophobicContact CG-CB 4.39Å; F87-E288 HydrophobicContact CG-CG 4.43Å; F87-E288 PolarHBondContact N-OE2 2.94Å; F87-V464 HydrophobicContact CD1-CB 4.34Å; F87-V464 HydrophobicContact CD1-CG1 3.58Å; F87-V464 HydrophobicContact CE1-CB 3.85Å; F87-V464 HydrophobicContact CE1-CG1 3.51Å; F87-V464 HydrophobicContact CE1-CG2 3.86Å; F87-V464 HydrophobicContact CG-CG1 4.32Å; F87-V464 HydrophobicContact CZ-CG1 4.24Å; F87-V464 HydrophobicContact CZ-CG2 4.09Å
88H86.9Confident89.6Confident14 Ų1437.8 Ų37.87%0.06519%0.189CC..Hα-helixtrans-67-33.2-177-68.975.7000111.6Y83 F84 K85 D86 M92 A461Y83-H88 PolarHBondContact O-CE1 2.98Å; Y83-H88 PolarHBondContact O-NE2 2.76Å; Y83-H88 VanDerWaalsContact O-NE2 3.15Å; F84-H88 HydrophobicContact CD2-CB 4.01Å; F84-H88 AromaticContact CD2-CD2 3.86Å; F84-H88 AromaticContact CD2-CG 3.79Å; F84-H88 HydrophobicContact CE2-CB 3.68Å; F84-H88 AromaticContact CE2-CG 3.92Å; F84-H88 HydrophobicContact CZ-CB 3.96Å; K85-H88 PolarHBondContact N-ND1 3.5Å; K85-H88 WeakPolarHBondContact O-CB 3.22Å; K85-H88 PolarHBondContact O-N 3.41Å; K85-H88 PolarHBondContact O-ND1 3.42Å; D86-H88 PolarHBondContact O-N 3.5Å; D86-H88 VanDerWaalsContact O-N 3.13Å; H88-M92 WeakPolarHBondContact O-CB 3.49Å; H88-M92 PolarHBondContact O-N 3.14Å; H88-A461 PolarHBondContact NE2-O 3.2Å
89F90.4Very high89.5Confident82 Ų8234.5 Ų34.536%0.3617%0.172SC..Hα-helixtrans-72.3-39.7174.2-68-59.1000111.8F84 D86 F87 M92 G93 A408 L412F84-F89 HydrophobicContact CE1-CE1 4.27Å; F84-F89 HydrophobicContact CE1-CE2 4.05Å; F84-F89 AromaticContact CE1-CZ 3.77Å; F84-F89 HydrophobicContact CE1-CZ 3.77Å; F84-F89 HydrophobicContact CZ-CE1 4.41Å; F84-F89 HydrophobicContact CZ-CZ 4.35Å; D86-F89 WeakPolarHBondContact O-CB 3.23Å; D86-F89 PolarHBondContact O-N 2.99Å; F87-F89 VanDerWaalsContact C-N 3.28Å; F87-F89 PolarHBondContact O-N 3.42Å; F89-M92 PolarHBondContact O-N 3.26Å; F89-G93 PolarHBondContact O-N 3.03Å; F89-G93 VanDerWaalsContact O-N 3.1Å; F89-A408 HydrophobicContact CB-CB 4.14Å; F89-L412 HydrophobicContact CB-CD2 4.25Å; F89-L412 HydrophobicContact CD1-CD1 4.3Å; F89-L412 HydrophobicContact CD1-CD2 3.67Å; F89-L412 HydrophobicContact CE1-CD2 4.3Å; F89-L412 HydrophobicContact CG-CD2 4.16Å
90L87.8Confident89.5Confident21 Ų2134.5 Ų34.511%0.1117%0.172CC..Hα-helixtrans-58.5-49.5172.3-179.667.9000110.7D86 F87 M92 G93 V94 L284 W383 D407 A408 A411D86-L90 PolarHBondContact O-N 3.47Å; D86-L90 VanDerWaalsContact O-N 3.14Å; F87-L90 WeakPolarHBondContact O-CB 3.43Å; F87-L90 PolarHBondContact O-N 2.84Å; L90-M92 PolarHBondContact O-N 3.43Å; L90-G93 PolarHBondContact O-N 2.85Å; L90-V94 WeakPolarHBondContact O-CG2 3.32Å; L90-V94 PolarHBondContact O-N 3.34Å; L90-V94 VanDerWaalsContact O-N 3.07Å; L90-L284 HydrophobicContact CD2-CD2 4.41Å; L90-W383 HydrophobicContact CD1-CZ2 3.73Å; L90-D407 HydrophobicContact CD1-CB 4.19Å; L90-A408 HydrophobicContact CB-CB 3.76Å; L90-A411 HydrophobicContact CD1-CB 3.91Å
91L86.3Confident89.3Confident8 Ų832.2 Ų32.24%0.04215%0.151CC..Hα-helixtrans-59.1-46.1178.8-178.262.9000111.2F87 G93 V94 I95 L284 M456 P457 A461F87-L91 HydrophobicContact CE1-CD2 4.16Å; F87-L91 HydrophobicContact CE2-CB 4.24Å; F87-L91 HydrophobicContact CZ-CB 4.18Å; F87-L91 HydrophobicContact CZ-CD2 3.89Å; F87-L91 HydrophobicContact CZ-CG 4.45Å; F87-L91 WeakPolarHBondContact O-CB 3.26Å; F87-L91 PolarHBondContact O-N 3.33Å; L91-G93 PolarHBondContact O-N 2.92Å; L91-V94 PolarHBondContact O-N 3.12Å; L91-I95 HydrophobicContact CD1-CD1 4.37Å; L91-I95 HydrophobicContact CD1-CG1 3.97Å; L91-I95 HydrophobicContact CG-CG1 4.3Å; L91-I95 WeakPolarHBondContact O-CB 3.49Å; L91-I95 VanDerWaalsContact O-CG1 3.23Å; L91-I95 WeakPolarHBondContact O-CG1 3.11Å; L91-I95 PolarHBondContact O-N 3.44Å; L91-L284 HydrophobicContact CD1-CD1 4.27Å; L91-M456 HydrophobicContact CB-CE 4.49Å; L91-M456 HydrophobicContact CD2-CE 3.5Å; L91-M456 VanDerWaalsContact CD2-CE 3.5Å; L91-M456 HydrophobicContact CD2-SD 4.34Å; L91-M456 HydrophobicContact CG-CE 3.77Å; L91-M456 HydrophobicContact CG-SD 4.19Å; L91-P457 HydrophobicContact CD1-CG 3.97Å; L91-P457 HydrophobicContact CD2-CG 4.18Å; L91-P457 HydrophobicContact CG-CG 4.47Å; L91-A461 HydrophobicContact CD2-CB 4.1Å
92M91Very high89.2Confident50 Ų5029.3 Ų29.325%0.24614%0.139CC..Hα-helixtrans-57.1-49.3177.7177.3170.6-88.300112H88 F89 L90 V94 I95 C96 L412 F452H88-M92 WeakPolarHBondContact O-CB 3.49Å; H88-M92 PolarHBondContact O-N 3.14Å; F89-M92 PolarHBondContact O-N 3.26Å; L90-M92 PolarHBondContact O-N 3.43Å; M92-V94 PolarHBondContact O-N 3.03Å; M92-I95 PolarHBondContact O-N 3.39Å; M92-C96 PolarHBondContact O-N 2.98Å; M92-C96 PolarHBondContact O-SG 3.42Å; M92-L412 HydrophobicContact CB-CD1 4.48Å; M92-L412 HydrophobicContact CG-CD1 4.11Å; M92-L412 HydrophobicContact SD-CD1 3.9Å; M92-F452 HydrophobicContact CB-CZ 4.31Å; M92-F452 HydrophobicContact CE-CE1 3.93Å; M92-F452 HydrophobicContact CE-CZ 3.74Å; M92-F452 HydrophobicContact CG-CE2 3.97Å; M92-F452 HydrophobicContact CG-CZ 3.7Å
93G91.9Very high89.2Confident0 Ų031.2 Ų31.20%015%0.147CC..Hα-helixtrans-62.6-42.1179.700000113.9F89 L90 L91 C96 L97 A411F89-G93 PolarHBondContact O-N 3.03Å; F89-G93 VanDerWaalsContact O-N 3.1Å; L90-G93 PolarHBondContact O-N 2.85Å; L91-G93 PolarHBondContact O-N 2.92Å; G93-C96 WeakPolarHBondContact O-CB 3.39Å; G93-C96 PolarHBondContact O-N 3.15Å; G93-L97 PolarHBondContact O-N 3.29Å; G93-A411 WeakPolarHBondContact CA-O 3.17Å
94V89.3Confident89.2Confident13 Ų1331 Ų318%0.07915%0.146CC..Hα-helixtrans-64-43.2175.9169.40000111.5L90 L91 M92 C96 L97 A98 P278 M379 W383L90-V94 WeakPolarHBondContact O-CG2 3.32Å; L90-V94 PolarHBondContact O-N 3.34Å; L90-V94 VanDerWaalsContact O-N 3.07Å; L91-V94 PolarHBondContact O-N 3.12Å; M92-V94 PolarHBondContact O-N 3.03Å; V94-C96 VanDerWaalsContact C-N 3.32Å; V94-C96 PolarHBondContact O-N 2.91Å; V94-L97 WeakPolarHBondContact O-CB 3.42Å; V94-L97 PolarHBondContact O-N 3.45Å; V94-A98 WeakPolarHBondContact O-CB 3.33Å; V94-A98 PolarHBondContact O-N 2.9Å; V94-P278 HydrophobicContact CB-CB 4.35Å; V94-P278 HydrophobicContact CG1-CB 3.49Å; V94-P278 VanDerWaalsContact CG1-CB 3.49Å; V94-P278 HydrophobicContact CG1-CG 4.29Å; V94-P278 HydrophobicContact CG2-CB 4.04Å; V94-P278 HydrophobicContact CG2-CG 4.44Å; V94-M379 HydrophobicContact CG2-CE 4.05Å; V94-W383 HydrophobicContact CG2-CH2 3.78Å; V94-W383 HydrophobicContact CG2-CZ2 4.17Å
95I90.5Very high89.1Confident22 Ų2225.5 Ų25.511%0.11313%0.126CC..Hα-helixtrans-67-34.6179.5-66.5-61.4000111.1L91 M92 L97 A98 T99 F452 L455 M456 P457L91-I95 HydrophobicContact CD1-CD1 4.37Å; L91-I95 HydrophobicContact CD1-CG1 3.97Å; L91-I95 HydrophobicContact CG-CG1 4.3Å; L91-I95 WeakPolarHBondContact O-CB 3.49Å; L91-I95 VanDerWaalsContact O-CG1 3.23Å; L91-I95 WeakPolarHBondContact O-CG1 3.11Å; L91-I95 PolarHBondContact O-N 3.44Å; M92-I95 PolarHBondContact O-N 3.39Å; I95-L97 VanDerWaalsContact C-N 3.34Å; I95-L97 PolarHBondContact O-N 3.45Å; I95-A98 PolarHBondContact O-N 3.2Å; I95-T99 VanDerWaalsContact O-CB 3.25Å; I95-T99 WeakPolarHBondContact O-CB 3.41Å; I95-T99 PolarHBondContact O-N 3.33Å; I95-T99 PolarHBondContact O-OG1 3.11Å; I95-F452 HydrophobicContact CB-CD2 4.4Å; I95-F452 HydrophobicContact CB-CE2 3.97Å; I95-F452 HydrophobicContact CG2-CD2 3.77Å; I95-F452 HydrophobicContact CG2-CE2 3.72Å; I95-L455 HydrophobicContact CG2-CB 4.26Å; I95-M456 HydrophobicContact CB-SD 4.3Å; I95-M456 HydrophobicContact CG1-SD 3.99Å; I95-M456 HydrophobicContact CG2-CB 4.4Å; I95-M456 HydrophobicContact CG2-SD 4.37Å; I95-P457 HydrophobicContact CD1-CG 4.22Å
96C93.9Very high89.3Confident2 Ų223.7 Ų23.71%0.01412%0.119CC..Hα-helixtrans-58.1-46.9171.3-66.60000111.7M92 G93 V94 T99 S100 F418 I447M92-C96 PolarHBondContact O-N 2.98Å; M92-C96 PolarHBondContact O-SG 3.42Å; G93-C96 WeakPolarHBondContact O-CB 3.39Å; G93-C96 PolarHBondContact O-N 3.15Å; V94-C96 VanDerWaalsContact C-N 3.32Å; V94-C96 PolarHBondContact O-N 2.91Å; C96-T99 PolarHBondContact O-N 2.9Å; C96-S100 PolarHBondContact O-N 2.72Å; C96-F418 HydrophobicContact CB-CD2 4.2Å; C96-I447 HydrophobicContact CB-CD1 3.7Å
97L92.3Very high89.6Confident9 Ų921.5 Ų21.55%0.04711%0.107CC..Hα-helixtrans-62.5-47.7176.417365.5000111.7G93 V94 I95 T99 S100 I101 T372 F376 M379 F418G93-L97 PolarHBondContact O-N 3.29Å; V94-L97 WeakPolarHBondContact O-CB 3.42Å; V94-L97 PolarHBondContact O-N 3.45Å; I95-L97 VanDerWaalsContact C-N 3.34Å; I95-L97 PolarHBondContact O-N 3.45Å; L97-T99 VanDerWaalsContact C-N 3.32Å; L97-T99 PolarHBondContact O-N 3.01Å; L97-S100 PolarHBondContact O-N 2.98Å; L97-I101 HydrophobicContact CD1-CD1 3.98Å; L97-I101 HydrophobicContact CD1-CG1 4.26Å; L97-I101 HydrophobicContact CG-CD1 3.9Å; L97-I101 WeakPolarHBondContact O-CG1 3.34Å; L97-I101 PolarHBondContact O-N 3.02Å; L97-T372 HydrophobicContact CD1-CG2 4.48Å; L97-F376 HydrophobicContact CD1-CB 4Å; L97-F376 HydrophobicContact CD1-CD2 4.28Å; L97-F376 HydrophobicContact CD2-CD2 3.74Å; L97-F376 HydrophobicContact CD2-CE2 4.43Å; L97-F376 HydrophobicContact CG-CD2 4.4Å; L97-M379 HydrophobicContact CB-SD 4.45Å; L97-M379 HydrophobicContact CD2-SD 3.36Å; L97-M379 WeakPolarHBondContact CD2-SD 3.38Å; L97-M379 HydrophobicContact CG-SD 4.45Å; L97-F418 HydrophobicContact CB-CE2 4.14Å; L97-F418 HydrophobicContact CD1-CE2 4.07Å; L97-F418 HydrophobicContact CD1-CZ 3.82Å
98A89.4Confident89.7Confident9 Ų925.9 Ų25.97%0.07412%0.123CC..Hα-helixtrans-60.2-42.7178.500000111.7V94 I95 S100 I101 E102V94-A98 WeakPolarHBondContact O-CB 3.33Å; V94-A98 PolarHBondContact O-N 2.9Å; I95-A98 PolarHBondContact O-N 3.2Å; A98-S100 VanDerWaalsContact C-N 3.35Å; A98-S100 PolarHBondContact O-N 2.94Å; A98-I101 PolarHBondContact O-N 3.39Å; A98-E102 WeakPolarHBondContact O-CB 3.21Å; A98-E102 PolarHBondContact O-N 2.85Å
99T91.2Very high89.8Confident2 Ų226.3 Ų26.31%0.01212%0.124CC..Hα-helixtrans-58.6-45.2175.2-58.20000111.3I95 C96 L97 E102 K103 I447 E451 L455I95-T99 VanDerWaalsContact O-CB 3.25Å; I95-T99 WeakPolarHBondContact O-CB 3.41Å; I95-T99 PolarHBondContact O-N 3.33Å; I95-T99 PolarHBondContact O-OG1 3.11Å; C96-T99 PolarHBondContact O-N 2.9Å; L97-T99 VanDerWaalsContact C-N 3.32Å; L97-T99 PolarHBondContact O-N 3.01Å; T99-E102 PolarHBondContact O-N 3.23Å; T99-K103 VanDerWaalsContact O-CB 3.27Å; T99-K103 WeakPolarHBondContact O-CB 3.5Å; T99-K103 PolarHBondContact O-N 3.18Å; T99-I447 HydrophobicContact CG2-CB 4.15Å; T99-I447 HydrophobicContact CG2-CG2 3.86Å; T99-E451 HydrophobicContact CG2-CB 3.83Å; T99-L455 HydrophobicContact CG2-CD1 3.81Å; T99-L455 WeakPolarHBondContact OG1-CD1 3.25Å
100S92.5Very high89.6Confident0 Ų025 Ų250%012%0.121CC..Hα-helixtrans-65.3-43.3176.4-164.90000111.8C96 L97 A98 E102 W104 T372 F418C96-S100 PolarHBondContact O-N 2.72Å; L97-S100 PolarHBondContact O-N 2.98Å; A98-S100 VanDerWaalsContact C-N 3.35Å; A98-S100 PolarHBondContact O-N 2.94Å; S100-E102 VanDerWaalsContact C-N 3.27Å; S100-E102 PolarHBondContact O-N 3Å; S100-W104 PolarHBondContact O-N 2.95Å; S100-W104 VanDerWaalsContact O-N 3.07Å; S100-T372 PolarHBondContact OG-OG1 3.23Å; S100-F418 VanDerWaalsContact CB-CE1 3.48Å; S100-F418 WeakPolarHBondContact OG-CD1 3.23Å; S100-F418 WeakPolarHBondContact OG-CE1 3.4Å
101I90.8Very high89.4Confident14 Ų1424.4 Ų24.47%0.07212%0.119CC..Hα-helixtrans-59.9-39.9177.1-71.3171000111.2L97 A98 G105 L106 H107 T372 F376L97-I101 HydrophobicContact CD1-CD1 3.98Å; L97-I101 HydrophobicContact CD1-CG1 4.26Å; L97-I101 HydrophobicContact CG-CD1 3.9Å; L97-I101 WeakPolarHBondContact O-CG1 3.34Å; L97-I101 PolarHBondContact O-N 3.02Å; A98-I101 PolarHBondContact O-N 3.39Å; I101-G105 PolarHBondContact O-N 2.89Å; I101-L106 HydrophobicContact CG1-CD2 4.44Å; I101-L106 PolarHBondContact O-N 2.84Å; I101-H107 HydrophobicContact CG2-CB 3.68Å; I101-H107 PolarHBondContact O-ND1 3.23Å; I101-T372 HydrophobicContact CB-CG2 4.46Å; I101-T372 HydrophobicContact CG1-CG2 3.61Å; I101-F376 HydrophobicContact CD1-CD2 4.06Å
102E88.6Confident89.3Confident73 Ų7324.1 Ų24.134%0.34112%0.117SC..Hα-helixtrans-70.4-54.7178.4-174.7165.6171.400111.7A98 T99 S100 W104 G105 M148 L455A98-E102 WeakPolarHBondContact O-CB 3.21Å; A98-E102 PolarHBondContact O-N 2.85Å; T99-E102 PolarHBondContact O-N 3.23Å; S100-E102 VanDerWaalsContact C-N 3.27Å; S100-E102 PolarHBondContact O-N 3Å; E102-W104 VanDerWaalsContact C-N 3.31Å; E102-W104 PolarHBondContact O-N 2.87Å; E102-G105 PolarHBondContact O-N 3.42Å; E102-G105 VanDerWaalsContact O-N 3.12Å; E102-M148 HydrophobicContact CB-CE 4.33Å; E102-M148 HydrophobicContact CG-CE 3.67Å; E102-L455 WeakPolarHBondContact OE2-CD2 3.32Å
103K89.6Confident89.1Confident58 Ų5829.2 Ų29.225%0.25213%0.134SC..Hα-helixtrans-54-45.1-179-178.1178.4-176.8164.10112.6T99 E444 M446 E451T99-K103 VanDerWaalsContact O-CB 3.27Å; T99-K103 WeakPolarHBondContact O-CB 3.5Å; T99-K103 PolarHBondContact O-N 3.18Å; K103-E444 WeakPolarHBondContact CE-OE1 3.39Å; K103-E444 IonicContact NZ-OE1 3.54Å; K103-E444 PolarHBondContact NZ-OE1 3.47Å; K103-M446 WeakPolarHBondContact CD-O 3.17Å; K103-E451 VanDerWaalsContact CD-OE1 3.23Å; K103-E451 WeakPolarHBondContact CD-OE1 2.94Å; K103-E451 WeakPolarHBondContact CE-OE1 3.25Å; K103-E451 VanDerWaalsContact NZ-CD 3.32Å; K103-E451 IonicContact NZ-OE1 3.78Å; K103-E451 PolarHBondContact NZ-OE1 2.78Å; K103-E451 IonicContact NZ-OE2 2.95Å; K103-E451 PolarHBondContact NZ-OE2 2.79Å
104W91.4Very high88.8Confident22 Ų2230.7 Ų30.78%0.08314%0.141CC..THydrogen-bonded Turntrans-90.4-4.8-176-59.7109.2000113.7S100 E102 L106 Q368 E369 A423 M446S100-W104 PolarHBondContact O-N 2.95Å; S100-W104 VanDerWaalsContact O-N 3.07Å; E102-W104 VanDerWaalsContact C-N 3.31Å; E102-W104 PolarHBondContact O-N 2.87Å; W104-L106 VanDerWaalsContact C-N 3.3Å; W104-L106 PolarHBondContact O-N 3.34Å; W104-Q368 HydrophobicContact CD2-CB 3.32Å; W104-Q368 HydrophobicContact CD2-CG 3.94Å; W104-Q368 HydrophobicContact CE3-CB 3.45Å; W104-Q368 VanDerWaalsContact CE3-CB 3.45Å; W104-Q368 HydrophobicContact CE3-CG 3.76Å; W104-Q368 HydrophobicContact CG-CB 3.77Å; W104-Q368 HydrophobicContact CH2-CB 4.18Å; W104-Q368 HydrophobicContact CH2-CG 3.66Å; W104-Q368 HydrophobicContact CZ2-CB 4.07Å; W104-Q368 HydrophobicContact CZ2-CG 3.83Å; W104-Q368 HydrophobicContact CZ3-CB 3.88Å; W104-Q368 HydrophobicContact CZ3-CG 3.6Å; W104-E369 HydrophobicContact CB-CG 4.31Å; W104-E369 WeakPolarHBondContact O-CG 3.34Å; W104-A423 HydrophobicContact CH2-CB 3.7Å; W104-A423 HydrophobicContact CZ2-CB 3.53Å; W104-M446 PolarHBondContact NE1-O 3.08Å; W104-M446 VanDerWaalsContact NE1-O 3.09Å
105G87.4Confident88.4Confident14 Ų1430.2 Ų30.214%0.14414%0.138CC..THydrogen-bonded Turntrans72.317.5174.700000115.1I101 E102 H107 R108 R109I101-G105 PolarHBondContact O-N 2.89Å; E102-G105 PolarHBondContact O-N 3.42Å; E102-G105 VanDerWaalsContact O-N 3.12Å; G105-H107 PolarHBondContact O-N 3.03Å; G105-R108 PolarHBondContact O-N 3.21Å; G105-R108 VanDerWaalsContact O-N 3.12Å; G105-R109 PolarHBondContact O-N 2.98Å
106L89.8Confident88Confident19 Ų1932 Ų3210%0.09915%0.152CC..Hα-helixtrans-57.1-40.7-179.5178.162.8000111.5I101 W104 R108 R109 I110 E369 T372I101-L106 HydrophobicContact CG1-CD2 4.44Å; I101-L106 PolarHBondContact O-N 2.84Å; W104-L106 VanDerWaalsContact C-N 3.3Å; W104-L106 PolarHBondContact O-N 3.34Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.35Å; L106-R109 PolarHBondContact O-N 3.37Å; L106-I110 HydrophobicContact CD1-CD1 4.17Å; L106-I110 HydrophobicContact CD1-CG1 4.46Å; L106-I110 HydrophobicContact CG-CD1 3.92Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 PolarHBondContact O-N 2.85Å; L106-I110 VanDerWaalsContact O-N 3.14Å; L106-E369 HydrophobicContact CD1-CB 4.33Å; L106-T372 HydrophobicContact CD2-CG2 4.06Å
107H87.8Confident87.5Confident15 Ų1538.4 Ų38.47%0.06918%0.184CC..Hα-helixtrans-58.1-40.8177.462.1-77.5000112.9I101 G105 R109 I110 A111 I136 M148I101-H107 HydrophobicContact CG2-CB 3.68Å; I101-H107 PolarHBondContact O-ND1 3.23Å; G105-H107 PolarHBondContact O-N 3.03Å; H107-R109 PolarHBondContact O-N 3.23Å; H107-I110 PolarHBondContact O-N 3.22Å; H107-A111 WeakPolarHBondContact O-CB 3.34Å; H107-A111 PolarHBondContact O-N 2.99Å; H107-I136 HydrophobicContact CB-CG1 4.39Å; H107-M148 PolarHBondContact CD2-SD 3.15Å; H107-M148 PolarHBondContact NE2-SD 3.01Å
108R84.1Confident87Confident97 Ų9740.1 Ų40.137%0.36620%0.195SC..Hα-helixtrans-62.7-43.1178.7-65.5179.965.4-168.5-1.9111.3G105 L106 A111 L112 E358 L362G105-R108 PolarHBondContact O-N 3.21Å; G105-R108 VanDerWaalsContact O-N 3.12Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.35Å; R108-A111 PolarHBondContact O-N 2.96Å; R108-L112 WeakPolarHBondContact O-CB 3.29Å; R108-L112 WeakPolarHBondContact O-CG 3.27Å; R108-L112 PolarHBondContact O-N 2.73Å; R108-E358 IonicContact NH2-OE2 2.7Å; R108-L362 HydrophobicContact CB-CD1 4.41Å; R108-L362 HydrophobicContact CB-CD2 4.18Å
109R89.4Confident86.2Confident22 Ų2240.8 Ų40.88%0.08320%0.202CC..Hα-helixtrans-64.8-43.2179.7-166-179.7-59.4-82.53.4111.4G105 L106 H107 R113 Y359 L362 G363 A364 E369G105-R109 PolarHBondContact O-N 2.98Å; L106-R109 PolarHBondContact O-N 3.37Å; H107-R109 PolarHBondContact O-N 3.23Å; R109-R113 WeakPolarHBondContact O-CB 3.45Å; R109-R113 PolarHBondContact O-N 2.99Å; R109-R113 VanDerWaalsContact O-N 3.12Å; R109-Y359 HydrophobicContact CG-CE2 3.73Å; R109-L362 HydrophobicContact CB-CD1 4.11Å; R109-L362 HydrophobicContact CG-CD1 4.43Å; R109-G363 PolarHBondContact NH1-O 3.06Å; R109-G363 PolarHBondContact NH2-O 2.82Å; R109-A364 PolarHBondContact NH2-O 3.45Å; R109-E369 IonicContact CZ-OE1 2.93Å; R109-E369 IonicContact CZ-OE2 3.83Å; R109-E369 IonicContact NE-OE1 2.81Å; R109-E369 IonicContact NE-OE2 3.92Å; R109-E369 PolarHBondContact NE-OE2 3.3Å; R109-E369 IonicContact NH2-OE1 2.88Å; R109-E369 PolarHBondContact NH2-OE1 3.27Å; R109-E369 IonicContact NH2-OE2 2.87Å; R109-E369 PolarHBondContact NH2-OE2 3.13Å; R109-E369 VanDerWaalsContact NH2-OE2 3.14Å
110I87.1Confident85.4Confident56 Ų5642 Ų4229%0.28721%0.21SC..Hα-helixtrans-64.6-48.3178-63.9168.4000110.4L106 H107 L112 R113 I114 F135L106-I110 HydrophobicContact CD1-CD1 4.17Å; L106-I110 HydrophobicContact CD1-CG1 4.46Å; L106-I110 HydrophobicContact CG-CD1 3.92Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 PolarHBondContact O-N 2.85Å; L106-I110 VanDerWaalsContact O-N 3.14Å; H107-I110 PolarHBondContact O-N 3.22Å; I110-L112 PolarHBondContact O-N 3.25Å; I110-R113 PolarHBondContact O-N 3.3Å; I110-I114 HydrophobicContact CG2-CD1 3.87Å; I110-I114 HydrophobicContact CG2-CG1 4.45Å; I110-I114 WeakPolarHBondContact O-CG1 3.35Å; I110-I114 PolarHBondContact O-N 3.19Å; I110-F135 HydrophobicContact CD1-CE1 4.36Å; I110-F135 HydrophobicContact CG2-CD1 3.88Å; I110-F135 HydrophobicContact CG2-CE1 3.59Å; I110-F135 HydrophobicContact CG2-CZ 4.41Å
111A82.5Confident84.6Confident8 Ų844.3 Ų44.37%0.06622%0.222CC..Hα-helixtrans-60.1-49.2-179.700000112.7H107 R108 R113 I114 V115 I136H107-A111 WeakPolarHBondContact O-CB 3.34Å; H107-A111 PolarHBondContact O-N 2.99Å; R108-A111 PolarHBondContact O-N 2.96Å; A111-R113 VanDerWaalsContact C-N 3.25Å; A111-R113 PolarHBondContact O-N 3.45Å; A111-I114 WeakPolarHBondContact O-CB 3.15Å; A111-I114 PolarHBondContact O-N 2.92Å; A111-I114 VanDerWaalsContact O-N 3.15Å; A111-V115 WeakPolarHBondContact O-CG2 3.47Å; A111-V115 PolarHBondContact O-N 3.35Å; A111-I136 HydrophobicContact CB-CD1 3.69Å
112L84.8Confident83.9Confident2 Ų245.7 Ų45.71%0.0123%0.232CC..Hα-helixtrans-62.9-33.5178.2-72.2174.8000112.4R108 I110 S116 I152 I355 E358 Y359 L362R108-L112 WeakPolarHBondContact O-CB 3.29Å; R108-L112 WeakPolarHBondContact O-CG 3.27Å; R108-L112 PolarHBondContact O-N 2.73Å; I110-L112 PolarHBondContact O-N 3.25Å; L112-S116 VanDerWaalsContact O-CB 3.29Å; L112-S116 WeakPolarHBondContact O-CB 3.39Å; L112-S116 PolarHBondContact O-N 3.49Å; L112-S116 PolarHBondContact O-OG 3.08Å; L112-I152 HydrophobicContact CD2-CD1 4.38Å; L112-I152 HydrophobicContact CD2-CG2 3.99Å; L112-I355 HydrophobicContact CD2-CG2 4.34Å; L112-E358 HydrophobicContact CD1-CB 4.09Å; L112-E358 HydrophobicContact CD2-CB 4.31Å; L112-Y359 HydrophobicContact CB-CD2 3.91Å; L112-Y359 HydrophobicContact CD1-CD2 4.42Å; L112-L362 HydrophobicContact CD1-CD1 3.84Å
113R87.6Confident83.5Confident157 Ų15742.4 Ų42.459%0.59222%0.217SC*.Hα-helixtrans-67.2-42.2174.9-167.3169.9-175.3170.30.4111.4R109 I110 A111 S116 M117R109-R113 WeakPolarHBondContact O-CB 3.45Å; R109-R113 PolarHBondContact O-N 2.99Å; R109-R113 VanDerWaalsContact O-N 3.12Å; I110-R113 PolarHBondContact O-N 3.3Å; A111-R113 VanDerWaalsContact C-N 3.25Å; A111-R113 PolarHBondContact O-N 3.45Å; R113-S116 PolarHBondContact O-N 3.37Å; R113-M117 HydrophobicContact CG-CE 4.39Å; R113-M117 VanDerWaalsContact O-CG 3.31Å; R113-M117 WeakPolarHBondContact O-CG 3.27Å; R113-M117 PolarHBondContact O-N 2.85Å
114I84Confident83.2Confident30 Ų3044 Ų4415%0.15422%0.222CC..Hα-helixtrans-59.3-51.6174.2-67.8167.4000110.4I110 A111 S116 M117 V118 S131 F135I110-I114 HydrophobicContact CG2-CD1 3.87Å; I110-I114 HydrophobicContact CG2-CG1 4.45Å; I110-I114 WeakPolarHBondContact O-CG1 3.35Å; I110-I114 PolarHBondContact O-N 3.19Å; A111-I114 WeakPolarHBondContact O-CB 3.15Å; A111-I114 PolarHBondContact O-N 2.92Å; A111-I114 VanDerWaalsContact O-N 3.15Å; I114-S116 VanDerWaalsContact C-N 3.28Å; I114-S116 PolarHBondContact O-N 3.04Å; I114-M117 HydrophobicContact CG1-CE 4.29Å; I114-M117 PolarHBondContact O-N 2.97Å; I114-M117 VanDerWaalsContact O-N 3.09Å; I114-V118 WeakPolarHBondContact O-CG2 3.06Å; I114-V118 PolarHBondContact O-N 3.28Å; I114-S131 WeakPolarHBondContact CG2-OG 3.43Å; I114-F135 HydrophobicContact CD1-CB 4.22Å; I114-F135 HydrophobicContact CD1-CD1 4.25Å; I114-F135 HydrophobicContact CD1-CG 4.22Å
115V80.6Confident83Confident4 Ų442.9 Ų42.92%0.02422%0.218CC..Hα-helixtrans-59.4-41.2179.3-178.50000111.3A111 M117 V118 G119 L125 F129 I355A111-V115 WeakPolarHBondContact O-CG2 3.47Å; A111-V115 PolarHBondContact O-N 3.35Å; V115-M117 VanDerWaalsContact C-N 3.3Å; V115-M117 PolarHBondContact O-N 3.22Å; V115-V118 PolarHBondContact O-N 3.28Å; V115-G119 PolarHBondContact O-N 3.42Å; V115-L125 HydrophobicContact CG1-CD1 3.8Å; V115-F129 HydrophobicContact CG1-CD1 4.43Å; V115-F129 HydrophobicContact CG1-CE1 4.2Å; V115-F129 HydrophobicContact CG1-CZ 4.34Å; V115-F129 HydrophobicContact CG2-CD1 3.74Å; V115-F129 HydrophobicContact CG2-CE1 4.01Å; V115-F129 HydrophobicContact CG2-CG 4.39Å; V115-I355 HydrophobicContact CG1-CD1 3.79Å
116S82.9Confident83.1Confident58 Ų5842.4 Ų42.441%0.40621%0.212SC..Hα-helixtrans-65.5-30.3178.4-60.80000113.5L112 R113 I114 I355L112-S116 VanDerWaalsContact O-CB 3.29Å; L112-S116 WeakPolarHBondContact O-CB 3.39Å; L112-S116 PolarHBondContact O-N 3.49Å; L112-S116 PolarHBondContact O-OG 3.08Å; R113-S116 PolarHBondContact O-N 3.37Å; I114-S116 VanDerWaalsContact C-N 3.28Å; I114-S116 PolarHBondContact O-N 3.04Å; S116-I355 VanDerWaalsContact OG-CG2 3.29Å; S116-I355 WeakPolarHBondContact OG-CG2 3.45Å
117M83.1Confident83.1Confident137 Ų13742.3 Ų42.368%0.67521%0.211SC*.Hα-helixtrans-76.2-38.8178.5-74.4-175-61.800112.6R113 I114 V115R113-M117 HydrophobicContact CG-CE 4.39Å; R113-M117 VanDerWaalsContact O-CG 3.31Å; R113-M117 WeakPolarHBondContact O-CG 3.27Å; R113-M117 PolarHBondContact O-N 2.85Å; I114-M117 HydrophobicContact CG1-CE 4.29Å; I114-M117 PolarHBondContact O-N 2.97Å; I114-M117 VanDerWaalsContact O-N 3.09Å; V115-M117 VanDerWaalsContact C-N 3.3Å; V115-M117 PolarHBondContact O-N 3.22Å
118V81.9Confident83.3Confident45 Ų4541.6 Ų41.627%0.27321%0.208SC..Hα-helixtrans-72.8-31.7-176.8-178.10000111.9I114 V115 W124 L127I114-V118 WeakPolarHBondContact O-CG2 3.06Å; I114-V118 PolarHBondContact O-N 3.28Å; V115-V118 PolarHBondContact O-N 3.28Å; V118-W124 HydrophobicContact CG1-CB 4.07Å; V118-W124 HydrophobicContact CG1-CE3 3.81Å; V118-W124 WeakPolarHBondContact CG1-O 3.5Å; V118-L127 HydrophobicContact CG1-CB 4.42Å
119G73.4Confident83.6Confident23 Ų2337.3 Ų37.324%0.23719%0.192CC..  trans108.2177.7174.100000114V115V115-G119 PolarHBondContact O-N 3.42Å
120V73.4Confident83.9Confident28 Ų2836.3 Ų36.317%0.1719%0.188CC..SBendtrans-111.65-165.3-68.90000114.8E348 A351 R352 I355V120-E348 HydrophobicContact CB-CB 4.49Å; V120-E348 HydrophobicContact CG2-CB 3.7Å; V120-E348 HydrophobicContact CG2-CG 4.17Å; V120-A351 HydrophobicContact CB-CB 4.46Å; V120-R352 HydrophobicContact CG1-CB 3.8Å; V120-R352 HydrophobicContact CG1-CG 4.28Å; V120-R352 HydrophobicContact CG2-CB 4.36Å; V120-I355 HydrophobicContact CG1-CD1 4.11Å
121N76.3Confident84.2Confident49 Ų4934.9 Ų34.926%0.26218%0.183SC..SBendtrans-66.8133.5169.1176.1-33.8000108.3A123 W124 L125N121-A123 PolarHBondContact O-N 3.31Å; N121-A123 PolarHBondContact OD1-N 3.32Å; N121-W124 HydrophobicContact CB-CB 4.39Å; N121-W124 CarbonylContact O-C 3.54Å; N121-W124 PolarHBondContact O-N 2.84Å; N121-L125 VanDerWaalsContact O-CB 3.23Å; N121-L125 WeakPolarHBondContact O-CB 3.44Å; N121-L125 PolarHBondContact O-N 3.05Å
122P76.1Confident84.7Confident43 Ų4334.6 Ų34.628%0.27918%0.181SC..Hα-helixtrans-45.3-39.5-176.3-3235.4000116.2M126 M257P122-M126 PolarHBondContact O-N 3.25Å; P122-M126 VanDerWaalsContact O-N 3.11Å; P122-M257 HydrophobicContact CB-SD 3.93Å; P122-M257 HydrophobicContact CG-SD 4.26Å
123A80.3Confident85.1Confident4 Ų434.5 Ų34.53%0.03318%0.181CC..Hα-helixtrans-67.9-46.917900000112.3N121 L127 W321 Y325 A336N121-A123 PolarHBondContact O-N 3.31Å; N121-A123 PolarHBondContact OD1-N 3.32Å; A123-L127 PolarHBondContact O-N 3.23Å; A123-W321 PolarHBondContact O-NE1 3.49Å; A123-Y325 HydrophobicContact CB-CD2 3.94Å; A123-Y325 HydrophobicContact CB-CE2 3.58Å; A123-A336 HydrophobicContact CB-CB 4.22Å
124W84.4Confident85.5Confident90 Ų9027.2 Ų27.234%0.34115%0.154SC..Hα-helixtrans-73.9-33.7179-71.3104.1000112V118 N121 M126 L127 G128V118-W124 HydrophobicContact CG1-CB 4.07Å; V118-W124 HydrophobicContact CG1-CE3 3.81Å; V118-W124 WeakPolarHBondContact CG1-O 3.5Å; N121-W124 HydrophobicContact CB-CB 4.39Å; N121-W124 CarbonylContact O-C 3.54Å; N121-W124 PolarHBondContact O-N 2.84Å; W124-M126 VanDerWaalsContact C-N 3.32Å; W124-M126 PolarHBondContact O-N 2.79Å; W124-L127 HydrophobicContact CE3-CD2 3.95Å; W124-L127 HydrophobicContact CZ3-CD2 3.83Å; W124-L127 CarbonylContact O-C 3.58Å; W124-L127 PolarHBondContact O-N 3.01Å; W124-G128 PolarHBondContact O-N 3.43Å
125L85.4Confident85.9Confident0 Ų029 Ų290%016%0.161CC..Hα-helixtrans-62.5-41.8174.6-177.462.2000110.7V115 N121 G128 F129 V156 I160 M261 I355V115-L125 HydrophobicContact CG1-CD1 3.8Å; N121-L125 VanDerWaalsContact O-CB 3.23Å; N121-L125 WeakPolarHBondContact O-CB 3.44Å; N121-L125 PolarHBondContact O-N 3.05Å; L125-G128 PolarHBondContact O-N 2.89Å; L125-F129 HydrophobicContact CD1-CD2 3.99Å; L125-F129 HydrophobicContact CD1-CE2 3.58Å; L125-F129 HydrophobicContact CD1-CZ 4.25Å; L125-F129 HydrophobicContact CD2-CE2 4.3Å; L125-F129 HydrophobicContact CG-CD2 3.94Å; L125-F129 HydrophobicContact CG-CE2 3.74Å; L125-F129 VanDerWaalsContact O-CD2 3.28Å; L125-F129 WeakPolarHBondContact O-CD2 3.31Å; L125-F129 PolarHBondContact O-N 3.37Å; L125-V156 HydrophobicContact CD2-CG1 3.94Å; L125-I160 HydrophobicContact CD2-CD1 3.78Å; L125-M261 HydrophobicContact CB-CE 4.39Å; L125-M261 HydrophobicContact CD2-CE 3.89Å; L125-M261 HydrophobicContact CG-CE 4.13Å; L125-I355 HydrophobicContact CD1-CD1 4Å
126M89.4Confident86.4Confident3 Ų329.1 Ų29.12%0.01516%0.161CC..Hα-helixtrans-58.9-48.4172-174.5174.48300111.1P122 W124 G128 F129 M130 A260 M261 W321 L324P122-M126 PolarHBondContact O-N 3.25Å; P122-M126 VanDerWaalsContact O-N 3.11Å; W124-M126 VanDerWaalsContact C-N 3.32Å; W124-M126 PolarHBondContact O-N 2.79Å; M126-G128 VanDerWaalsContact C-N 3.33Å; M126-G128 PolarHBondContact O-N 2.93Å; M126-F129 PolarHBondContact O-N 3.34Å; M126-M130 HydrophobicContact CE-SD 4.4Å; M126-M130 HydrophobicContact CG-CG 4.4Å; M126-M130 HydrophobicContact CG-SD 3.85Å; M126-M130 WeakPolarHBondContact O-CB 3.48Å; M126-M130 VanDerWaalsContact O-CG 3.23Å; M126-M130 WeakPolarHBondContact O-CG 3.42Å; M126-M130 PolarHBondContact O-N 3.24Å; M126-A260 HydrophobicContact SD-CB 3.77Å; M126-M261 HydrophobicContact CB-CG 4.41Å; M126-M261 HydrophobicContact CG-CG 4.43Å; M126-W321 HydrophobicContact CE-CG 4.17Å; M126-W321 WeakPolarHBondContact CE-O 3.35Å; M126-L324 HydrophobicContact CE-CB 4.16Å
127L91.7Very high86.9Confident18 Ų1826.3 Ų26.39%0.09414%0.142CC..Hα-helixtrans-62.3-38.8176.7-175.362.2000112.3V118 A123 W124 M130 S131 L318 W321V118-L127 HydrophobicContact CG1-CB 4.42Å; A123-L127 PolarHBondContact O-N 3.23Å; W124-L127 HydrophobicContact CE3-CD2 3.95Å; W124-L127 HydrophobicContact CZ3-CD2 3.83Å; W124-L127 CarbonylContact O-C 3.58Å; W124-L127 PolarHBondContact O-N 3.01Å; L127-M130 PolarHBondContact O-N 2.82Å; L127-S131 VanDerWaalsContact O-CB 3.27Å; L127-S131 WeakPolarHBondContact O-CB 3.42Å; L127-S131 PolarHBondContact O-N 2.94Å; L127-S131 PolarHBondContact O-OG 3.4Å; L127-L318 HydrophobicContact CD1-CD2 4.33Å; L127-W321 HydrophobicContact CB-CD2 4.3Å; L127-W321 HydrophobicContact CB-CG 4.21Å; L127-W321 HydrophobicContact CD1-CB 4.02Å; L127-W321 HydrophobicContact CD1-CD2 4.09Å; L127-W321 HydrophobicContact CD1-CE3 4.49Å; L127-W321 HydrophobicContact CD1-CG 3.84Å; L127-W321 HydrophobicContact CD2-CD2 4.32Å; L127-W321 HydrophobicContact CD2-CE3 4.41Å; L127-W321 HydrophobicContact CD2-CZ2 4.45Å; L127-W321 HydrophobicContact CG-CD2 4.47Å; L127-W321 HydrophobicContact CG-CG 4.5Å
128G90.6Very high87.3Confident0 Ų020.9 Ų20.90%012%0.115CC..Hα-helixtrans-61.2-45.2176.600000112.1W124 L125 M126 S131 G132W124-G128 PolarHBondContact O-N 3.43Å; L125-G128 PolarHBondContact O-N 2.89Å; M126-G128 VanDerWaalsContact C-N 3.33Å; M126-G128 PolarHBondContact O-N 2.93Å; G128-S131 PolarHBondContact O-OG 2.86Å; G128-S131 VanDerWaalsContact O-OG 3.08Å; G128-G132 PolarHBondContact O-N 3.31Å
129F91.8Very high87.4Confident6 Ų620.3 Ų20.33%0.02611%0.108CC..Hα-helixtrans-67.3-44.5175.8-81.8-50.7000112.6V115 L125 M126 G132 C133 V149 I152 V153 V156 I265V115-F129 HydrophobicContact CG1-CD1 4.43Å; V115-F129 HydrophobicContact CG1-CE1 4.2Å; V115-F129 HydrophobicContact CG1-CZ 4.34Å; V115-F129 HydrophobicContact CG2-CD1 3.74Å; V115-F129 HydrophobicContact CG2-CE1 4.01Å; V115-F129 HydrophobicContact CG2-CG 4.39Å; L125-F129 HydrophobicContact CD1-CD2 3.99Å; L125-F129 HydrophobicContact CD1-CE2 3.58Å; L125-F129 HydrophobicContact CD1-CZ 4.25Å; L125-F129 HydrophobicContact CD2-CE2 4.3Å; L125-F129 HydrophobicContact CG-CD2 3.94Å; L125-F129 HydrophobicContact CG-CE2 3.74Å; L125-F129 VanDerWaalsContact O-CD2 3.28Å; L125-F129 WeakPolarHBondContact O-CD2 3.31Å; L125-F129 PolarHBondContact O-N 3.37Å; M126-F129 PolarHBondContact O-N 3.34Å; F129-G132 PolarHBondContact O-N 3.37Å; F129-C133 VanDerWaalsContact O-CB 3.3Å; F129-C133 WeakPolarHBondContact O-CB 3.12Å; F129-C133 PolarHBondContact O-N 3.32Å; F129-V149 HydrophobicContact CD1-CG1 4.36Å; F129-I152 HydrophobicContact CE1-CG2 3.98Å; F129-I152 HydrophobicContact CZ-CG2 4.45Å; F129-V153 HydrophobicContact CB-CG2 4.29Å; F129-V153 HydrophobicContact CD1-CG2 3.52Å; F129-V153 HydrophobicContact CD2-CG2 4.01Å; F129-V153 HydrophobicContact CE1-CG2 3.7Å; F129-V153 HydrophobicContact CE2-CG2 4.16Å; F129-V153 HydrophobicContact CG-CG2 3.7Å; F129-V153 HydrophobicContact CZ-CG2 4.02Å; F129-V156 HydrophobicContact CE2-CB 4.39Å; F129-V156 HydrophobicContact CE2-CG1 4.2Å; F129-V156 HydrophobicContact CZ-CB 4.1Å; F129-V156 HydrophobicContact CZ-CG1 4.29Å; F129-V156 HydrophobicContact CZ-CG2 3.99Å; F129-I265 HydrophobicContact CB-CD1 3.76Å; F129-I265 WeakPolarHBondContact O-CD1 3.5Å
130M95.1Very high87.9Confident1 Ų119.9 Ų19.91%0.00510%0.1CC..Hα-helixtrans-61.7-47176.3-71.3175.869.600111.8M126 L127 C133 A134 S268 L317 T320 W321 L324M126-M130 HydrophobicContact CE-SD 4.4Å; M126-M130 HydrophobicContact CG-CG 4.4Å; M126-M130 HydrophobicContact CG-SD 3.85Å; M126-M130 WeakPolarHBondContact O-CB 3.48Å; M126-M130 VanDerWaalsContact O-CG 3.23Å; M126-M130 WeakPolarHBondContact O-CG 3.42Å; M126-M130 PolarHBondContact O-N 3.24Å; L127-M130 PolarHBondContact O-N 2.82Å; M130-C133 PolarHBondContact O-N 2.91Å; M130-A134 VanDerWaalsContact O-CB 3.3Å; M130-A134 WeakPolarHBondContact O-CB 3.4Å; M130-A134 PolarHBondContact O-N 3.32Å; M130-S268 WeakPolarHBondContact O-CB 3.38Å; M130-S268 PolarHBondContact O-OG 2.91Å; M130-L317 HydrophobicContact CB-CD1 4.06Å; M130-L317 HydrophobicContact CE-CD1 4.22Å; M130-T320 HydrophobicContact CE-CG2 3.91Å; M130-W321 HydrophobicContact CE-CB 4.18Å; M130-W321 HydrophobicContact SD-CB 4.17Å; M130-L324 HydrophobicContact CE-CD1 4.25Å; M130-L324 HydrophobicContact SD-CD1 4.48Å
131S93.8Very high88.5Confident27 Ų2723.6 Ų23.619%0.18912%0.116CC..Hα-helixtrans-67-39.6179.255.60000112.6I114 L127 G128 F135I114-S131 WeakPolarHBondContact CG2-OG 3.43Å; L127-S131 VanDerWaalsContact O-CB 3.27Å; L127-S131 WeakPolarHBondContact O-CB 3.42Å; L127-S131 PolarHBondContact O-N 2.94Å; L127-S131 PolarHBondContact O-OG 3.4Å; G128-S131 PolarHBondContact O-OG 2.86Å; G128-S131 VanDerWaalsContact O-OG 3.08Å; S131-F135 WeakPolarHBondContact O-CB 3.14Å; S131-F135 PolarHBondContact O-N 3.48Å
132G91.8Very high89.2Confident2 Ų221.5 Ų21.52%0.02111%0.105CC..Hα-helixtrans-63.1-42.5173.800000112.5G128 F129 I136G128-G132 PolarHBondContact O-N 3.31Å; F129-G132 PolarHBondContact O-N 3.37Å; G132-I136 WeakPolarHBondContact O-CG1 3.43Å; G132-I136 PolarHBondContact O-N 2.82Å; G132-I136 VanDerWaalsContact O-N 3.07Å
133C94.6Very high89.9Confident0 Ų020.9 Ų20.90%010%0.1CC..Hα-helixtrans-68.4-44.8177-175.80000112.2F129 M130 F135 I136 S137 V149 I265 S268F129-C133 VanDerWaalsContact O-CB 3.3Å; F129-C133 WeakPolarHBondContact O-CB 3.12Å; F129-C133 PolarHBondContact O-N 3.32Å; M130-C133 PolarHBondContact O-N 2.91Å; C133-F135 VanDerWaalsContact C-N 3.32Å; C133-F135 PolarHBondContact O-N 3.31Å; C133-I136 PolarHBondContact O-N 3.49Å; C133-S137 WeakPolarHBondContact O-CB 3.36Å; C133-S137 PolarHBondContact O-N 3.19Å; C133-V149 HydrophobicContact CB-CG1 4.4Å; C133-V149 HydrophobicContact CB-CG2 4.18Å; C133-I265 HydrophobicContact CB-CD1 3.88Å; C133-S268 WeakPolarHBondContact CB-OG 3.49Å
134A95.4Very high90.2Very high4 Ų422 Ų223%0.03311%0.108CC..Hα-helixtrans-57-46.6174.300000111.2M130 I136 S137 M138 S268 G272 L317M130-A134 VanDerWaalsContact O-CB 3.3Å; M130-A134 WeakPolarHBondContact O-CB 3.4Å; M130-A134 PolarHBondContact O-N 3.32Å; A134-I136 PolarHBondContact O-N 3.42Å; A134-S137 PolarHBondContact O-N 3.3Å; A134-M138 WeakPolarHBondContact O-CG 3.27Å; A134-M138 PolarHBondContact O-N 2.79Å; A134-M138 VanDerWaalsContact O-N 3.08Å; A134-S268 VanDerWaalsContact CA-O 3.29Å; A134-S268 WeakPolarHBondContact CA-O 3.21Å; A134-S268 WeakPolarHBondContact CB-O 3.48Å; A134-G272 VanDerWaalsContact O-CA 3.26Å; A134-G272 WeakPolarHBondContact O-CA 3.37Å; A134-L317 HydrophobicContact CB-CD1 4.02Å; A134-L317 HydrophobicContact CB-CD2 4.39Å
135F92.4Very high90.6Very high66 Ų6617.7 Ų17.729%0.2899%0.092SC..Hα-helixtrans-60.6-44.8177.9180-94000112.8I110 I114 S131 C133 S137 M138 W139I110-F135 HydrophobicContact CD1-CE1 4.36Å; I110-F135 HydrophobicContact CG2-CD1 3.88Å; I110-F135 HydrophobicContact CG2-CE1 3.59Å; I110-F135 HydrophobicContact CG2-CZ 4.41Å; I114-F135 HydrophobicContact CD1-CB 4.22Å; I114-F135 HydrophobicContact CD1-CD1 4.25Å; I114-F135 HydrophobicContact CD1-CG 4.22Å; S131-F135 WeakPolarHBondContact O-CB 3.14Å; S131-F135 PolarHBondContact O-N 3.48Å; C133-F135 VanDerWaalsContact C-N 3.32Å; C133-F135 PolarHBondContact O-N 3.31Å; F135-S137 VanDerWaalsContact C-N 3.29Å; F135-S137 PolarHBondContact O-N 3.46Å; F135-M138 HydrophobicContact CD2-SD 4.38Å; F135-M138 WeakPolarHBondContact O-CB 3.21Å; F135-M138 PolarHBondContact O-N 3.35Å; F135-W139 AromaticContact CE2-NE1 3.9Å; F135-W139 AromaticContact CZ-NE1 3.81Å; F135-W139 PolarHBondContact O-NE1 2.98Å
136I90.3Very high90.9Very high7 Ų717.7 Ų17.74%0.0369%0.092CC..Hα-helixtrans-61.1-43.8175.6-67.5164.9000110.1H107 A111 G132 C133 A134 M138 W139 V140 A145 V149H107-I136 HydrophobicContact CB-CG1 4.39Å; A111-I136 HydrophobicContact CB-CD1 3.69Å; G132-I136 WeakPolarHBondContact O-CG1 3.43Å; G132-I136 PolarHBondContact O-N 2.82Å; G132-I136 VanDerWaalsContact O-N 3.07Å; C133-I136 PolarHBondContact O-N 3.49Å; A134-I136 PolarHBondContact O-N 3.42Å; I136-M138 PolarHBondContact O-N 3.4Å; I136-W139 PolarHBondContact O-N 2.74Å; I136-V140 HydrophobicContact CG2-CB 4.23Å; I136-V140 HydrophobicContact CG2-CG2 4.19Å; I136-V140 PolarHBondContact O-N 3.01Å; I136-A145 HydrophobicContact CB-CB 4.22Å; I136-A145 HydrophobicContact CG2-CB 3.72Å; I136-V149 HydrophobicContact CD1-CG2 3.8Å
137S93.1Very high91Very high0 Ų020.7 Ų20.70%011%0.11CC..Hα-helixtrans-68.8-13.7-177.2-153.20000114.1C133 A134 F135 W139 V140 N142 S269 G273C133-S137 WeakPolarHBondContact O-CB 3.36Å; C133-S137 PolarHBondContact O-N 3.19Å; A134-S137 PolarHBondContact O-N 3.3Å; F135-S137 VanDerWaalsContact C-N 3.29Å; F135-S137 PolarHBondContact O-N 3.46Å; S137-W139 PolarHBondContact O-N 3.39Å; S137-V140 CarbonylContact C-O 3.4Å; S137-V140 WeakPolarHBondContact CA-O 3.33Å; S137-N142 VanDerWaalsContact OG-CA 3.32Å; S137-N142 WeakPolarHBondContact OG-CA 3.41Å; S137-N142 PolarHBondContact OG-OD1 3.19Å; S137-S269 VanDerWaalsContact CB-O 3.23Å; S137-S269 WeakPolarHBondContact CB-O 3.38Å; S137-S269 PolarHBondContact OG-O 3.39Å; S137-G273 WeakPolarHBondContact O-CA 3.34Å
138M91.7Very high90.8Very high22 Ų2221.3 Ų21.311%0.10811%0.113CC..THydrogen-bonded Turntrans-66.5-19.5169.4-62.4-176.4-177.300112.3A134 F135 I136 G272 T275 T276 L310A134-M138 WeakPolarHBondContact O-CG 3.27Å; A134-M138 PolarHBondContact O-N 2.79Å; A134-M138 VanDerWaalsContact O-N 3.08Å; F135-M138 HydrophobicContact CD2-SD 4.38Å; F135-M138 WeakPolarHBondContact O-CB 3.21Å; F135-M138 PolarHBondContact O-N 3.35Å; I136-M138 PolarHBondContact O-N 3.4Å; M138-G272 WeakPolarHBondContact CG-O 3.22Å; M138-T275 HydrophobicContact CE-CG2 3.77Å; M138-T275 HydrophobicContact CG-CG2 4.13Å; M138-T275 HydrophobicContact SD-CG2 3.71Å; M138-T276 HydrophobicContact CB-CG2 3.95Å; M138-T276 WeakPolarHBondContact O-CB 3.43Å; M138-T276 WeakPolarHBondContact O-CG2 3.3Å; M138-T276 PolarHBondContact O-OG1 3.37Å; M138-L310 HydrophobicContact CE-CD1 4.12Å
139W85.4Confident90.7Very high34 Ų3421.7 Ų21.713%0.12912%0.115CC..THydrogen-bonded Turntrans-126.8-22.2-171.4-48.4105.3000113.1F135 I136 S137 T276 F302 F376 V380F135-W139 AromaticContact CE2-NE1 3.9Å; F135-W139 AromaticContact CZ-NE1 3.81Å; F135-W139 PolarHBondContact O-NE1 2.98Å; I136-W139 PolarHBondContact O-N 2.74Å; S137-W139 PolarHBondContact O-N 3.39Å; W139-T276 HydrophobicContact CE3-CG2 4.42Å; W139-T276 HydrophobicContact CH2-CG2 4.04Å; W139-T276 HydrophobicContact CZ2-CG2 4.34Å; W139-T276 HydrophobicContact CZ3-CG2 4.08Å; W139-F302 HydrophobicContact CH2-CZ 4.06Å; W139-F302 HydrophobicContact CZ3-CE2 4.4Å; W139-F302 AromaticContact CZ3-CZ 3.85Å; W139-F302 HydrophobicContact CZ3-CZ 3.85Å; W139-F376 AromaticContact CD2-CE2 3.5Å; W139-F376 HydrophobicContact CD2-CE2 3.5Å; W139-F376 VanDerWaalsContact CD2-CE2 3.5Å; W139-F376 AromaticContact CD2-CZ 3.71Å; W139-F376 HydrophobicContact CD2-CZ 3.71Å; W139-F376 AromaticContact CE2-CE2 3.77Å; W139-F376 AromaticContact CE2-CZ 3.43Å; W139-F376 VanDerWaalsContact CE2-CZ 3.43Å; W139-F376 AromaticContact CE3-CE2 3.64Å; W139-F376 HydrophobicContact CE3-CE2 3.64Å; W139-F376 HydrophobicContact CE3-CZ 4.1Å; W139-F376 AromaticContact CG-CE2 3.92Å; W139-F376 HydrophobicContact CG-CE2 3.92Å; W139-F376 HydrophobicContact CG-CZ 4.25Å; W139-F376 HydrophobicContact CH2-CE2 4.24Å; W139-F376 AromaticContact CH2-CZ 3.96Å; W139-F376 HydrophobicContact CH2-CZ 3.96Å; W139-F376 HydrophobicContact CZ2-CE2 4.15Å; W139-F376 AromaticContact CZ2-CZ 3.58Å; W139-F376 HydrophobicContact CZ2-CZ 3.58Å; W139-F376 HydrophobicContact CZ3-CE2 4Å; W139-F376 HydrophobicContact CZ3-CZ 4.2Å; W139-F376 AromaticContact NE1-CZ 3.79Å; W139-V380 HydrophobicContact CH2-CG2 3.73Å; W139-V380 HydrophobicContact CZ3-CG2 3.99Å
140V83.6Confident90.6Very high13 Ų1321.4 Ų21.48%0.07911%0.114CC..SBendtrans-123.5149.4-178.2-169.10000107.9I136 S137 N142I136-V140 HydrophobicContact CG2-CB 4.23Å; I136-V140 HydrophobicContact CG2-CG2 4.19Å; I136-V140 PolarHBondContact O-N 3.01Å; S137-V140 CarbonylContact C-O 3.4Å; S137-V140 WeakPolarHBondContact CA-O 3.33Å; V140-N142 PolarHBondContact O-N 2.8Å
141Q85.8Confident90.3Very high106 Ų10624.5 Ų24.550%0.49513%0.134SC..  trans-52.8138.9177.9-171.4176.33.900112.3T143 S144 A145Q141-T143 VanDerWaalsContact C-N 3.28Å; Q141-T143 PolarHBondContact O-N 3.44Å; Q141-T143 VanDerWaalsContact O-N 3.13Å; Q141-S144 WeakPolarHBondContact O-CB 3.5Å; Q141-S144 PolarHBondContact O-N 3.25Å; Q141-A145 PolarHBondContact O-N 3.34Å
142N91.1Very high90Very high6 Ų624 Ų243%0.03213%0.129CC..Hα-helixtrans-47.8-45.9-175.7-57.23.4000114S137 V140 S144 A145 V146 N270 G279S137-N142 VanDerWaalsContact OG-CA 3.32Å; S137-N142 WeakPolarHBondContact OG-CA 3.41Å; S137-N142 PolarHBondContact OG-OD1 3.19Å; V140-N142 PolarHBondContact O-N 2.8Å; N142-S144 PolarHBondContact O-N 2.92Å; N142-A145 PolarHBondContact O-N 3.28Å; N142-V146 WeakPolarHBondContact O-CG2 3.17Å; N142-V146 PolarHBondContact O-N 3.3Å; N142-V146 VanDerWaalsContact O-N 3.07Å; N142-N270 PolarHBondContact ND2-OD1 3.07Å; N142-G279 PolarHBondContact OD1-O 3.43Å
143T89.7Confident89.8Confident30 Ų3024 Ų2418%0.18413%0.128CC..Hα-helixtrans-62-45.7-179.6-44.70000111.6Q141 A145 V146 T147 P559 V563Q141-T143 VanDerWaalsContact C-N 3.28Å; Q141-T143 PolarHBondContact O-N 3.44Å; Q141-T143 VanDerWaalsContact O-N 3.13Å; T143-A145 PolarHBondContact O-N 3.12Å; T143-V146 PolarHBondContact O-N 3.07Å; T143-T147 WeakPolarHBondContact O-CG2 3.47Å; T143-T147 PolarHBondContact O-N 3.35Å; T143-T147 PolarHBondContact O-OG1 3.41Å; T143-P559 HydrophobicContact CG2-CB 3.87Å; T143-P559 WeakPolarHBondContact OG1-CB 3.43Å; T143-V563 HydrophobicContact CG2-CG2 4.03Å
144S87.8Confident89.5Confident27 Ų2725.4 Ų25.419%0.18914%0.135CC..Hα-helixtrans-61.8-45.3177.7-53.80000110.8Q141 N142 V146 T147 M148Q141-S144 WeakPolarHBondContact O-CB 3.5Å; Q141-S144 PolarHBondContact O-N 3.25Å; N142-S144 PolarHBondContact O-N 2.92Å; S144-V146 VanDerWaalsContact C-N 3.33Å; S144-V146 PolarHBondContact O-N 3.05Å; S144-T147 WeakPolarHBondContact CA-OG1 3.49Å; S144-T147 PolarHBondContact O-N 2.83Å; S144-T147 VanDerWaalsContact O-N 3.16Å; S144-T147 PolarHBondContact O-OG1 3.17Å; S144-M148 VanDerWaalsContact O-CG 3.25Å; S144-M148 WeakPolarHBondContact O-CG 3.36Å; S144-M148 PolarHBondContact O-N 2.84Å
145A91.1Very high89Confident0 Ų026.6 Ų26.60%015%0.145CC..Hα-helixtrans-56.4-45.217700000112.4I136 Q141 N142 T143 M148 V149I136-A145 HydrophobicContact CB-CB 4.22Å; I136-A145 HydrophobicContact CG2-CB 3.72Å; Q141-A145 PolarHBondContact O-N 3.34Å; N142-A145 PolarHBondContact O-N 3.28Å; T143-A145 PolarHBondContact O-N 3.12Å; A145-M148 PolarHBondContact O-N 3.17Å; A145-V149 VanDerWaalsContact O-CG2 3.31Å; A145-V149 WeakPolarHBondContact O-CG2 3.17Å; A145-V149 PolarHBondContact O-N 3.32Å; A145-V149 VanDerWaalsContact O-N 3.16Å
146V93.2Very high88.6Confident0 Ų023.5 Ų23.50%013%0.131CC..Hα-helixtrans-64-47.3175.5171.90000111.5N142 T143 S144 M148 V149 M150 I265 S269 V563 V564N142-V146 WeakPolarHBondContact O-CG2 3.17Å; N142-V146 PolarHBondContact O-N 3.3Å; N142-V146 VanDerWaalsContact O-N 3.07Å; T143-V146 PolarHBondContact O-N 3.07Å; S144-V146 VanDerWaalsContact C-N 3.33Å; S144-V146 PolarHBondContact O-N 3.05Å; V146-M148 PolarHBondContact O-N 3.29Å; V146-V149 PolarHBondContact O-N 2.91Å; V146-V149 VanDerWaalsContact O-N 3.15Å; V146-M150 HydrophobicContact CG1-CG 3.59Å; V146-M150 WeakPolarHBondContact O-CB 3.3Å; V146-M150 VanDerWaalsContact O-CG 3.27Å; V146-M150 WeakPolarHBondContact O-CG 3.45Å; V146-M150 PolarHBondContact O-N 3.4Å; V146-I265 HydrophobicContact CB-CG2 4.31Å; V146-I265 HydrophobicContact CG1-CG2 4.04Å; V146-I265 HydrophobicContact CG2-CG2 3.98Å; V146-S269 WeakPolarHBondContact CG2-OG 3.28Å; V146-V563 HydrophobicContact CG1-CB 4.05Å; V146-V563 HydrophobicContact CG1-CG1 3.72Å; V146-V564 HydrophobicContact CG1-CG2 3.54Å
147T89.9Confident88.3Confident65 Ų6523.2 Ų23.240%0.39913%0.13SC..Hα-helixtrans-61.4-30.2-179.857.70000113.1T143 S144 P151 V563T143-T147 WeakPolarHBondContact O-CG2 3.47Å; T143-T147 PolarHBondContact O-N 3.35Å; T143-T147 PolarHBondContact O-OG1 3.41Å; S144-T147 WeakPolarHBondContact CA-OG1 3.49Å; S144-T147 PolarHBondContact O-N 2.83Å; S144-T147 VanDerWaalsContact O-N 3.16Å; S144-T147 PolarHBondContact O-OG1 3.17Å; T147-P151 WeakPolarHBondContact O-CD 3.38Å; T147-P151 WeakPolarHBondContact O-CG 3.3Å; T147-V563 HydrophobicContact CG2-CG1 3.87Å; T147-V563 HydrophobicContact CG2-CG2 3.91Å
148M87.6Confident87.8Confident32 Ų3228.5 Ų28.516%0.15816%0.155CC..Hα-helixtrans-75.2-37.7176.3-69.2167.7179.700112.5E102 H107 S144 A145 V146E102-M148 HydrophobicContact CB-CE 4.33Å; E102-M148 HydrophobicContact CG-CE 3.67Å; H107-M148 PolarHBondContact CD2-SD 3.15Å; H107-M148 PolarHBondContact NE2-SD 3.01Å; S144-M148 VanDerWaalsContact O-CG 3.25Å; S144-M148 WeakPolarHBondContact O-CG 3.36Å; S144-M148 PolarHBondContact O-N 2.84Å; A145-M148 PolarHBondContact O-N 3.17Å; V146-M148 PolarHBondContact O-N 3.29Å
149V89.7Confident87.3Confident7 Ų731.2 Ų31.24%0.04217%0.167CC..Hα-helixtrans-87.4-34.6-173.8176.80000112.4F129 C133 I136 A145 V146 I152 V153 I265F129-V149 HydrophobicContact CD1-CG1 4.36Å; C133-V149 HydrophobicContact CB-CG1 4.4Å; C133-V149 HydrophobicContact CB-CG2 4.18Å; I136-V149 HydrophobicContact CD1-CG2 3.8Å; A145-V149 VanDerWaalsContact O-CG2 3.31Å; A145-V149 WeakPolarHBondContact O-CG2 3.17Å; A145-V149 PolarHBondContact O-N 3.32Å; A145-V149 VanDerWaalsContact O-N 3.16Å; V146-V149 PolarHBondContact O-N 2.91Å; V146-V149 VanDerWaalsContact O-N 3.15Å; V149-I152 WeakPolarHBondContact O-CB 3.1Å; V149-I152 PolarHBondContact O-N 3.34Å; V149-I152 VanDerWaalsContact O-N 3.08Å; V149-V153 HydrophobicContact CG1-CG2 3.83Å; V149-V153 PolarHBondContact O-N 3.37Å; V149-I265 HydrophobicContact CG1-CD1 3.55Å; V149-I265 HydrophobicContact CG1-CG1 4.28Å
150M90.4Very high86.9Confident0 Ų030 Ų300%016%0.163CC..Hα-helixtrans-58.5-42.3-174.9-79-60.7-6400114.9V146 I152 V153 E154 I265 V564 Y567V146-M150 HydrophobicContact CG1-CG 3.59Å; V146-M150 WeakPolarHBondContact O-CB 3.3Å; V146-M150 VanDerWaalsContact O-CG 3.27Å; V146-M150 WeakPolarHBondContact O-CG 3.45Å; V146-M150 PolarHBondContact O-N 3.4Å; M150-I152 PolarHBondContact O-N 3.12Å; M150-V153 PolarHBondContact O-N 3.45Å; M150-E154 WeakPolarHBondContact O-CB 3.31Å; M150-E154 PolarHBondContact O-N 3.49Å; M150-I265 HydrophobicContact CG-CG2 4.1Å; M150-I265 HydrophobicContact SD-CB 4.02Å; M150-I265 HydrophobicContact SD-CG1 4.23Å; M150-I265 HydrophobicContact SD-CG2 3.84Å; M150-V564 HydrophobicContact CE-CG1 4.24Å; M150-V564 HydrophobicContact CE-CG2 4.33Å; M150-V564 HydrophobicContact CG-CG2 4.12Å; M150-V564 HydrophobicContact SD-CG2 3.83Å; M150-Y567 HydrophobicContact CB-CE1 4.48Å; M150-Y567 HydrophobicContact CB-CE2 3.68Å; M150-Y567 HydrophobicContact CE-CD1 4.19Å; M150-Y567 HydrophobicContact CE-CD2 3.59Å; M150-Y567 HydrophobicContact CE-CE1 4.45Å; M150-Y567 HydrophobicContact CE-CE2 3.9Å; M150-Y567 HydrophobicContact CE-CG 3.77Å; M150-Y567 HydrophobicContact CG-CE2 4.15Å
151P88.2Confident86.7Confident67 Ų6731.8 Ų31.844%0.43517%0.172SC..Hα-helixtrans-58.9-36.3175-25.434.8000113.2T147 A155T147-P151 WeakPolarHBondContact O-CD 3.38Å; T147-P151 WeakPolarHBondContact O-CG 3.3Å; P151-A155 WeakPolarHBondContact O-CB 3.27Å; P151-A155 PolarHBondContact O-N 3.07Å
152I86.4Confident86.3Confident16 Ų1632.5 Ų32.58%0.08217%0.173CC..Hα-helixtrans-69.6-45178.1-55.4173.2000109.9L112 F129 V149 M150 E154 A155 V156L112-I152 HydrophobicContact CD2-CD1 4.38Å; L112-I152 HydrophobicContact CD2-CG2 3.99Å; F129-I152 HydrophobicContact CE1-CG2 3.98Å; F129-I152 HydrophobicContact CZ-CG2 4.45Å; V149-I152 WeakPolarHBondContact O-CB 3.1Å; V149-I152 PolarHBondContact O-N 3.34Å; V149-I152 VanDerWaalsContact O-N 3.08Å; M150-I152 PolarHBondContact O-N 3.12Å; I152-E154 VanDerWaalsContact C-N 3.33Å; I152-E154 PolarHBondContact O-N 3.24Å; I152-A155 PolarHBondContact O-N 3.15Å; I152-V156 WeakPolarHBondContact O-CG2 3.46Å; I152-V156 PolarHBondContact O-N 2.75Å
153V88.6Confident85.3Confident1 Ų133.5 Ų33.51%0.00618%0.182CC..Hα-helixtrans-60.4-45.7176.8173.60000110.6F129 V149 M150 V156 L157 M261 I265F129-V153 HydrophobicContact CB-CG2 4.29Å; F129-V153 HydrophobicContact CD1-CG2 3.52Å; F129-V153 HydrophobicContact CD2-CG2 4.01Å; F129-V153 HydrophobicContact CE1-CG2 3.7Å; F129-V153 HydrophobicContact CE2-CG2 4.16Å; F129-V153 HydrophobicContact CG-CG2 3.7Å; F129-V153 HydrophobicContact CZ-CG2 4.02Å; V149-V153 HydrophobicContact CG1-CG2 3.83Å; V149-V153 PolarHBondContact O-N 3.37Å; M150-V153 PolarHBondContact O-N 3.45Å; V153-V156 PolarHBondContact O-N 3.48Å; V153-L157 WeakPolarHBondContact O-CB 3.29Å; V153-L157 PolarHBondContact O-N 3.39Å; V153-M261 HydrophobicContact CG1-CB 4.14Å; V153-I265 HydrophobicContact CG2-CD1 4.1Å; V153-I265 HydrophobicContact CG2-CG1 3.97Å
154E87.5Confident84.2Confident31 Ų3132.6 Ų32.615%0.14518%0.176CC..Hα-helixtrans-61.4-45.3178-176.759.4-154.500111.7M150 I152 V156 L157 Q158 Y567 H569M150-E154 WeakPolarHBondContact O-CB 3.31Å; M150-E154 PolarHBondContact O-N 3.49Å; I152-E154 VanDerWaalsContact C-N 3.33Å; I152-E154 PolarHBondContact O-N 3.24Å; E154-V156 PolarHBondContact O-N 3Å; E154-L157 PolarHBondContact O-N 2.92Å; E154-Q158 WeakPolarHBondContact O-CB 3.36Å; E154-Q158 VanDerWaalsContact O-CG 3.3Å; E154-Q158 WeakPolarHBondContact O-CG 3.49Å; E154-Q158 PolarHBondContact O-N 2.82Å; E154-Q158 WeakPolarHBondContact OE1-CG 3.49Å; E154-Q158 PolarHBondContact OE1-NE2 2.88Å; E154-Y567 HydrophobicContact CB-CD1 4.46Å; E154-Y567 HydrophobicContact CB-CE1 4.16Å; E154-Y567 HydrophobicContact CG-CD1 4.35Å; E154-Y567 HydrophobicContact CG-CE1 4.29Å; E154-H569 IonicContact OE1-NE2 2.71Å; E154-H569 IonicContact OE2-CD2 2.67Å; E154-H569 IonicContact OE2-CE1 3.11Å; E154-H569 IonicContact OE2-NE2 2.57Å; E154-H569 PolarHBondContact OE2-NE2 3.29Å
155A85.6Confident83.2Confident29 Ų2937.3 Ų37.324%0.2420%0.195CC..Hα-helixtrans-60.4-43.6177.300000112.3P151 I152 Q159P151-A155 WeakPolarHBondContact O-CB 3.27Å; P151-A155 PolarHBondContact O-N 3.07Å; I152-A155 PolarHBondContact O-N 3.15Å; A155-Q159 WeakPolarHBondContact O-CG 3.29Å; A155-Q159 PolarHBondContact O-N 3.3Å
156V84.1Confident81.8Confident0 Ų043 Ų430%023%0.225CC..Hα-helixtrans-67.2-41.2176.9170.90000111.1L125 F129 I152 V153 E154 Q159 I160 A351 V354 I355L125-V156 HydrophobicContact CD2-CG1 3.94Å; F129-V156 HydrophobicContact CE2-CB 4.39Å; F129-V156 HydrophobicContact CE2-CG1 4.2Å; F129-V156 HydrophobicContact CZ-CB 4.1Å; F129-V156 HydrophobicContact CZ-CG1 4.29Å; F129-V156 HydrophobicContact CZ-CG2 3.99Å; I152-V156 WeakPolarHBondContact O-CG2 3.46Å; I152-V156 PolarHBondContact O-N 2.75Å; V153-V156 PolarHBondContact O-N 3.48Å; E154-V156 PolarHBondContact O-N 3Å; V156-Q159 PolarHBondContact O-N 3.24Å; V156-I160 HydrophobicContact CG1-CD1 3.85Å; V156-I160 HydrophobicContact CG1-CG1 4.47Å; V156-I160 WeakPolarHBondContact O-CG1 3.29Å; V156-I160 PolarHBondContact O-N 3.33Å; V156-A351 HydrophobicContact CG1-CB 4.24Å; V156-V354 HydrophobicContact CG2-CB 4.34Å; V156-V354 HydrophobicContact CG2-CG1 3.82Å; V156-I355 HydrophobicContact CG2-CG1 3.98Å
157L84Confident79.9Confident1 Ų146 Ų461%0.00526%0.255CS..Hα-helixtrans-61.7-49.9179.5-172.360.8000111.5V153 E154 Q159 I160 L161 M257 C258 M261V153-L157 WeakPolarHBondContact O-CB 3.29Å; V153-L157 PolarHBondContact O-N 3.39Å; E154-L157 PolarHBondContact O-N 2.92Å; L157-Q159 PolarHBondContact O-N 3.39Å; L157-I160 PolarHBondContact O-N 2.65Å; L157-I160 VanDerWaalsContact O-N 3.14Å; L157-L161 HydrophobicContact CG-CD1 4.41Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 3.49Å; L157-M257 HydrophobicContact CD1-CE 3.61Å; L157-C258 HydrophobicContact CD1-CB 4.26Å; L157-C258 VanDerWaalsContact CD1-SG 3.54Å; L157-C258 HydrophobicContact CD2-CB 3.68Å; L157-C258 VanDerWaalsContact CD2-SG 3.55Å; L157-C258 HydrophobicContact CG-CB 4.42Å; L157-M261 HydrophobicContact CD1-SD 4.29Å
158Q83.5Confident77.9Confident111 Ų11145.2 Ų45.252%0.51925%0.252SS..Hα-helixtrans-56.9-38.5177-72.5179.25.500112.4E154 L161 K162E154-Q158 WeakPolarHBondContact O-CB 3.36Å; E154-Q158 VanDerWaalsContact O-CG 3.3Å; E154-Q158 WeakPolarHBondContact O-CG 3.49Å; E154-Q158 PolarHBondContact O-N 2.82Å; E154-Q158 WeakPolarHBondContact OE1-CG 3.49Å; E154-Q158 PolarHBondContact OE1-NE2 2.88Å; Q158-L161 PolarHBondContact O-N 3.32Å; Q158-K162 VanDerWaalsContact O-CB 3.29Å; Q158-K162 WeakPolarHBondContact O-CB 3.31Å; Q158-K162 PolarHBondContact O-N 3.3Å
159Q80.9Confident75.9Confident80 Ų8048.9 Ų48.937%0.37427%0.272SS..Hα-helixtrans-72-37.4179.3-70.5-81.53.800112.3A155 V156 L157 L161 K162 A163 V354A155-Q159 WeakPolarHBondContact O-CG 3.29Å; A155-Q159 PolarHBondContact O-N 3.3Å; V156-Q159 PolarHBondContact O-N 3.24Å; L157-Q159 PolarHBondContact O-N 3.39Å; Q159-L161 VanDerWaalsContact C-N 3.34Å; Q159-K162 PolarHBondContact O-N 3.16Å; Q159-A163 VanDerWaalsContact O-CB 3.26Å; Q159-A163 WeakPolarHBondContact O-CB 3.42Å; Q159-A163 PolarHBondContact O-N 3.26Å; Q159-V354 HydrophobicContact CB-CG2 3.71Å; Q159-V354 HydrophobicContact CG-CG2 3.47Å; Q159-V354 VanDerWaalsContact CG-CG2 3.47Å
160I76.3Confident73.4Confident8 Ų851.6 Ų51.64%0.04130%0.301CS..Hα-helixtrans-62.9-43.5172.7-67.5166.1000110.5L125 V156 L157 K164 M257 A351L125-I160 HydrophobicContact CD2-CD1 3.78Å; V156-I160 HydrophobicContact CG1-CD1 3.85Å; V156-I160 HydrophobicContact CG1-CG1 4.47Å; V156-I160 WeakPolarHBondContact O-CG1 3.29Å; V156-I160 PolarHBondContact O-N 3.33Å; L157-I160 PolarHBondContact O-N 2.65Å; L157-I160 VanDerWaalsContact O-N 3.14Å; I160-K164 WeakPolarHBondContact O-CB 3.31Å; I160-K164 PolarHBondContact O-N 2.83Å; I160-K164 VanDerWaalsContact O-N 3.14Å; I160-M257 HydrophobicContact CB-CE 4.39Å; I160-M257 HydrophobicContact CD1-CE 4.48Å; I160-M257 HydrophobicContact CG2-CE 3.73Å; I160-A351 HydrophobicContact CD1-CB 4.16Å; I160-A351 HydrophobicContact CG1-CB 3.99Å
161L79.6Confident70.7Confident51 Ų5159.6 Ų59.627%0.26734%0.344SS..Hα-helixtrans-63.6-47.9177.4-63.9176.2000111.2L157 Q158 Q159 A163 K164 E165 D254L157-L161 HydrophobicContact CG-CD1 4.41Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 3.49Å; Q158-L161 PolarHBondContact O-N 3.32Å; Q159-L161 VanDerWaalsContact C-N 3.34Å; L161-A163 PolarHBondContact O-N 2.83Å; L161-K164 VanDerWaalsContact O-CB 3.29Å; L161-K164 WeakPolarHBondContact O-CB 3.16Å; L161-K164 PolarHBondContact O-N 3.04Å; L161-K164 VanDerWaalsContact O-N 3.11Å; L161-E165 PolarHBondContact O-N 3.49Å; L161-E165 VanDerWaalsContact O-N 3.12Å; L161-D254 HydrophobicContact CD2-CB 3.48Å; L161-D254 VanDerWaalsContact CD2-CB 3.48Å
162K77.3Confident68.2Low121 Ų12161.5 Ų61.553%0.52635%0.354SS..Hα-helixtrans-63-44179-172176.1-177.4176.40113Q158 Q159 K164 E165 L166Q158-K162 VanDerWaalsContact O-CB 3.29Å; Q158-K162 WeakPolarHBondContact O-CB 3.31Å; Q158-K162 PolarHBondContact O-N 3.3Å; Q159-K162 PolarHBondContact O-N 3.16Å; K162-K164 PolarHBondContact O-N 2.62Å; K162-E165 PolarHBondContact O-N 3.27Å; K162-L166 HydrophobicContact CG-CD1 4.21Å; K162-L166 PolarHBondContact O-N 3.25Å; K162-L166 VanDerWaalsContact O-N 3.08Å
163A69.8Low65.7Low26 Ų2667.2 Ų67.222%0.21539%0.385CS..Hα-helixtrans-61.8-31.4175.500000111.8Q159 L161 G167 A350Q159-A163 VanDerWaalsContact O-CB 3.26Å; Q159-A163 WeakPolarHBondContact O-CB 3.42Å; Q159-A163 PolarHBondContact O-N 3.26Å; L161-A163 PolarHBondContact O-N 2.83Å; A163-G167 PolarHBondContact O-N 2.86Å; A163-G167 VanDerWaalsContact O-N 3.15Å; A163-A350 HydrophobicContact CB-CB 3.92Å
164K65.9Low63Low11 Ų1173.1 Ų73.15%0.04842%0.423CS..Hα-helixtrans-71.6-36.2177.4-163.1176.7179.9-172.30112.1I160 L161 K162 C168 R250 D254I160-K164 WeakPolarHBondContact O-CB 3.31Å; I160-K164 PolarHBondContact O-N 2.83Å; I160-K164 VanDerWaalsContact O-N 3.14Å; L161-K164 VanDerWaalsContact O-CB 3.29Å; L161-K164 WeakPolarHBondContact O-CB 3.16Å; L161-K164 PolarHBondContact O-N 3.04Å; L161-K164 VanDerWaalsContact O-N 3.11Å; K162-K164 PolarHBondContact O-N 2.62Å; K164-C168 PolarHBondContact O-N 3.47Å; K164-C168 PolarHBondContact O-SG 3.19Å; K164-R250 HydrophobicContact CD-CG 4.43Å; K164-R250 PolarHBondContact NZ-O 3.49Å; K164-D254 WeakPolarHBondContact CD-OD1 3.33Å; K164-D254 WeakPolarHBondContact CD-OD2 3.32Å; K164-D254 WeakPolarHBondContact CE-OD1 3.36Å; K164-D254 VanDerWaalsContact CE-OD2 3.28Å; K164-D254 WeakPolarHBondContact CE-OD2 3.41Å; K164-D254 IonicContact NZ-OD1 3.82Å; K164-D254 PolarHBondContact NZ-OD1 3.24Å; K164-D254 IonicContact NZ-OD2 3.83Å; K164-D254 PolarHBondContact NZ-OD2 2.98Å
165E66.8Low60.4Low127 Ų12779 Ų7959%0.59346%0.455SS*.Hα-helixtrans-68.6-46.4174.6-68.4-175.8159.200112.2L161 K162 G167 C168 N169L161-E165 PolarHBondContact O-N 3.49Å; L161-E165 VanDerWaalsContact O-N 3.12Å; K162-E165 PolarHBondContact O-N 3.27Å; E165-G167 VanDerWaalsContact C-N 3.32Å; E165-G167 PolarHBondContact O-N 3.47Å; E165-C168 WeakPolarHBondContact O-CA 3.31Å; E165-C168 WeakPolarHBondContact O-CB 3.47Å; E165-C168 PolarHBondContact O-N 3.07Å; E165-N169 PolarHBondContact O-N 3.32Å
166L62.3Low57.9Low120 Ų12084 Ų8463%0.62848%0.478SS*.Hα-helixtrans-60.2-40.5177.5-76.9158.8000112.3K162 C168 N169K162-L166 HydrophobicContact CG-CD1 4.21Å; K162-L166 PolarHBondContact O-N 3.25Å; K162-L166 VanDerWaalsContact O-N 3.08Å; L166-C168 PolarHBondContact O-N 2.98Å; L166-N169 PolarHBondContact O-N 2.97Å
167G54.1Low55.3Low61 Ų6193.3 Ų93.363%0.62952%0.521SS*.THydrogen-bonded Turntrans-68.3-11.8173.600000114.8A163 E165A163-G167 PolarHBondContact O-N 2.86Å; A163-G167 VanDerWaalsContact O-N 3.15Å; E165-G167 VanDerWaalsContact C-N 3.32Å; E165-G167 PolarHBondContact O-N 3.47Å
168C47.8Very low52.7Low50 Ų5099 Ų9934%0.33856%0.556SS.*THydrogen-bonded Turntrans-94.1-22.3175-65.50000113.5K164 E165 L166 G170 R250K164-C168 PolarHBondContact O-N 3.47Å; K164-C168 PolarHBondContact O-SG 3.19Å; E165-C168 WeakPolarHBondContact O-CA 3.31Å; E165-C168 WeakPolarHBondContact O-CB 3.47Å; E165-C168 PolarHBondContact O-N 3.07Å; L166-C168 PolarHBondContact O-N 2.98Å; C168-G170 VanDerWaalsContact C-N 3.33Å; C168-R250 PolarHBondContact SG-NH1 3.33Å; C168-R250 PolarHBondContact SG-NH2 2.96Å; C168-R250 VanDerWaalsContact SG-NH2 3.38Å
169N44.6Very low49.9Very low109 Ų10999.3 Ų99.358%0.58357%0.567SS**SBendtrans-87.81.7178.8-75.1-5.6000113.5E165 L166 N171 V172E165-N169 PolarHBondContact O-N 3.32Å; L166-N169 PolarHBondContact O-N 2.97Å; N169-N171 PolarHBondContact O-N 3.32Å; N169-V172 PolarHBondContact O-N 2.89Å
170G37.7Very low47.5Very low63 Ų63103.5 Ų103.565%0.64959%0.592SS**THydrogen-bonded Turntrans-70.517.9-175.700000117.5C168C168-G170 VanDerWaalsContact C-N 3.33Å
171N33.9Very low45.4Very low169 Ų169110.3 Ų110.390%0.90463%0.628SS**THydrogen-bonded Turntrans-121.438.8168.6-8815.1000111.3N169N169-N171 PolarHBondContact O-N 3.32Å
172V35.4Very low42.8Very low107 Ų107115 Ų11565%0.64865%0.653SS**SBendtrans-111.4125.2169.3-173.50000108.7N169N169-V172 PolarHBondContact O-N 2.89Å
173N33.4Very low40.7Very low136 Ų136117.5 Ų117.573%0.72767%0.672SS**  trans-41.4139.7-178.6-95.5-36.5000113.2N175N173-N175 PolarHBondContact O-N 3.43Å
174P33Very low38.8Very low125 Ų125123 Ų12381%0.81270%0.697SS**THydrogen-bonded Turntrans-68.811.2-176.327.4-34000115.8
175N32Very low36.9Very low153 Ų153130.9 Ų130.982%0.81873%0.731SS**THydrogen-bonded Turntrans-106.512.9-175.7-76.5-23.6000115.1N173N173-N175 PolarHBondContact O-N 3.43Å
176L33.4Very low35.1Very low136 Ų136130.9 Ų130.971%0.71274%0.742SS**  trans-108.197.2175.9-146.874.7000111V178L176-V178 PolarHBondContact O-N 2.94Å
177Q30Very low33.7Very low194 Ų194129 Ų12991%0.90774%0.736SS**PPolyproline II helixtrans-65.1121.5164.9-70.9179.43.500108.6
178V29.8Very low32.5Very low121 Ų121131.1 Ų131.173%0.73374%0.74SS**PPolyproline II helixtrans-103.6122.2172.6-178.40000107.9L176L176-V178 PolarHBondContact O-N 2.94Å
179P24.8Very low31.7Very low117 Ų117133.6 Ų133.676%0.7675%0.749SS**PPolyproline II helixtrans-71.2134.4178.118.7-16.1000110.9N181P179-N181 PolarHBondContact O-N 3.48Å
180L29.2Very low31.1Very low169 Ų169135.2 Ų135.289%0.88575%0.753SS**SBendtrans-78.582.2-179.9-167.881.6000109.9
181N31.9Very low30.7Very low150 Ų150138.2 Ų138.280%0.80275%0.754SS**  trans-165101.9159.3-97.3-35000109.7P179P179-N181 PolarHBondContact O-N 3.48Å
182L26Very low30.6Very low151 Ų151135.9 Ų135.979%0.79174%0.74SS**  trans-152.2109.3153.2-133.676000109.6L184L182-L184 HydrophobicContact CB-CD1 4.46Å; L182-L184 HydrophobicContact CD2-CD1 3.83Å; L182-L184 HydrophobicContact CG-CD1 4.46Å; L182-L184 PolarHBondContact O-N 2.9Å; L182-L184 VanDerWaalsContact O-N 3.15Å
183N33.5Very low30.5Very low173 Ų173138.1 Ų138.193%0.92575%0.746SS**  trans-56.3108.9161.4-118-40.9000107.7
184L29.3Very low30.3Very low142 Ų142135.4 Ų135.474%0.74374%0.742SS**  trans-106.2107.4178.6-133.379.9000110.2L182L182-L184 HydrophobicContact CB-CD1 4.46Å; L182-L184 HydrophobicContact CD2-CD1 3.83Å; L182-L184 HydrophobicContact CG-CD1 4.46Å; L182-L184 PolarHBondContact O-N 2.9Å; L182-L184 VanDerWaalsContact O-N 3.15Å
185K26.2Very low30.2Very low176 Ų176136.1 Ų136.177%0.76574%0.739SS**  trans-60.5149.3162.3-89.6-179.3174.3-179.50110.2T187K185-T187 PolarHBondContact O-N 2.87Å; K185-T187 PolarHBondContact O-OG1 3.41Å
186P29.1Very low30.1Very low127 Ų127136.3 Ų136.383%0.82574%0.74SS**SBendtrans-72.890.9-172.831.4-33.2000109.9
187T31.6Very low29.8Very low81 Ų81138.3 Ų138.350%0.49775%0.746SS.*  trans-135.973.2-177.6-17.50000109.6K185K185-T187 PolarHBondContact O-N 2.87Å; K185-T187 PolarHBondContact O-OG1 3.41Å
188C29.7Very low29.8Very low105 Ų105139.1 Ų139.171%0.70975%0.746SS**SBendtrans-137.7-13166.4-1290000112.8
189L32Very low29.7Very low102 Ų102142.4 Ų142.453%0.53475%0.751SS.*SBendtrans-93.9-33.7178.8-160.465000112.9L191 L192L189-L191 VanDerWaalsContact C-N 3.34Å; L189-L191 PolarHBondContact O-N 3.32Å; L189-L192 PolarHBondContact O-N 3.42Å
190E31.4Very low29.9Very low142 Ų142142.5 Ų142.566%0.66475%0.751SS**Hα-helixtrans-64.8-34.2178.3-78.1-177.615000113.3L192 M193E190-L192 PolarHBondContact O-N 3.39Å; E190-M193 PolarHBondContact O-N 2.8Å
191L29.4Very low29.9Very low127 Ų127142.1 Ų142.167%0.66575%0.75SS**Hα-helixtrans-69-16-178.9-93155.3000114L189L189-L191 VanDerWaalsContact C-N 3.34Å; L189-L191 PolarHBondContact O-N 3.32Å
192L31.8Very low29.5Very low120 Ų120139.5 Ų139.563%0.62875%0.75SS**Hα-helixtrans-93.2-20.3176.1-71.1172.9000112.9L189 E190L189-L192 PolarHBondContact O-N 3.42Å; E190-L192 PolarHBondContact O-N 3.39Å
193M33.2Very low29.6Very low153 Ų153138.4 Ų138.475%0.75475%0.752SS**Hα-helixtrans-86.7-20-178.7-58.2-164.884.700113.2E190 N195E190-M193 PolarHBondContact O-N 2.8Å; M193-N195 VanDerWaalsContact C-N 3.31Å; M193-N195 PolarHBondContact O-N 2.99Å
194A29.9Very low29.6Very low79 Ų79134.7 Ų134.765%0.65374%0.744SS**THydrogen-bonded Turntrans-76.6-6.4-178.600000115.4
195N29.2Very low29.3Very low140 Ų140137.2 Ų137.275%0.74975%0.752SS**THydrogen-bonded Turntrans-100.115.8-171.7-90.9-15.2000115.7M193M193-N195 VanDerWaalsContact C-N 3.31Å; M193-N195 PolarHBondContact O-N 2.99Å
196N30.7Very low29.2Very low158 Ų158135.9 Ų135.985%0.84575%0.754SS**  trans-11713.7-176.6-92.4-9.5000116.1
197E27.4Very low28.9Very low177 Ų177139.8 Ų139.883%0.82776%0.758SS**  trans-91.6108.5170.2-69.7-165.2159.300111.6K199E197-K199 PolarHBondContact O-N 3.46Å
198K30.8Very low28.5Very low212 Ų212142.1 Ų142.192%0.92277%0.773SS**  trans-65.3123.7157.6-88.9-179.3172.7-179.40108.3
199K26.4Very low28.1Very low190 Ų190143.1 Ų143.183%0.82678%0.779SS**  trans-118.5137.5165.4-118.7178.7-177.7175.60110.4E197E197-K199 PolarHBondContact O-N 3.46Å
200P29.5Very low27.6Very low118 Ų118144.7 Ų144.777%0.76679%0.793SS**  trans-86.2166.5174.434.9-30.5000112.5
201D28.9Very low27.3Very low161 Ų161146 Ų14686%0.86180%0.799SS**  trans-45.7156.9-165.6-59.8-57.7000122.1
202A24.5Very low27.1Very low96 Ų96147.6 Ų147.679%0.79381%0.806SS**  trans99.1154.7153.500000119.8
203P26.8Very low26.7Very low128 Ų128149.9 Ų149.983%0.83181%0.814SS**  -120.9175.5-51.835.7-20.5000112.7
204A33.1Very low26.3Very low94 Ų94149.1 Ų149.178%0.77782%0.818SS**  trans-59.5139.3-169.200000116.6
205E22.9Very low26.1Very low195 Ų195150.9 Ų150.991%0.91182%0.823SS**  trans-135.3134.7151.6-76.3-165.5160.200111.1
206N25.3Very low26Very low149 Ų149150.2 Ų150.280%0.79783%0.826SS**  trans-67.8138-169.2-69.3-39000113.5
207F23.1Very low25.9Very low209 Ų209152.1 Ų152.192%0.91783%0.83SS**  trans-131.4126.1147.5-93.8-84.1000110.9
208T21.9Very low25.7Very low130 Ų130149 Ų14980%0.79883%0.828SS**  trans-70134.2-163.7-20.10000112.6
209C21.1Very low25.3Very low125 Ų125146 Ų14685%0.84582%0.821SS**  trans-71.3128.3166.6-640000109.9
210V23.5Very low25.3Very low135 Ų135145.2 Ų145.282%0.81882%0.821SS**  trans-93.3109.5161.8176.40000107.3
211E24Very low25Very low171 Ų171145.2 Ų145.280%0.79982%0.824SS**  trans-78.4123.2173.7-164.2171.9-152.700108.6
212I25Very low24.9Very low159 Ų159145 Ų14582%0.81582%0.823SS**  trans-101.5113.1169.1-61.6177.9000107.4
213Q23.8Very low25.6Very low168 Ų168146.1 Ų146.179%0.78582%0.822SS**PPolyproline II helixtrans-66.3138.5175.8-70.9171.2-17.900111.8
214T24.1Very low25.5Very low137 Ų137144.3 Ų144.384%0.8482%0.818SS**PPolyproline II helixtrans-76.9137.2167.526.70000111.5
215P25.6Very low25.3Very low116 Ų116149.2 Ų149.275%0.75382%0.824SS**PPolyproline II helixtrans-88.1160.4162.13.615.8000111.9
216P26.7Very low25.5Very low126 Ų126145.9 Ų145.982%0.81882%0.819SS**PPolyproline II helixtrans-82.5157.9-165.233.8-34.4000114.1
217Q28.8Very low25.5Very low199 Ų199147.6 Ų147.693%0.9382%0.823SS**PPolyproline II helixtrans-62.8147.1177.3-69.4175.5-48.600113.7
218S22.9Very low25.7Very low112 Ų112142.2 Ų142.278%0.78381%0.811SS**  trans-147.7108.8149.1620000111.3
219D24.1Very low26.2Very low147 Ų147143.4 Ų143.479%0.78681%0.813SS**  trans44.8132.7141.3-72.3-19.2000125.9
220Q25.4Very low26.8Very low175 Ų175146 Ų14682%0.81881%0.813SS**  trans76106.6144.1-70.6175.46.600120.4
221S24.1Very low27.6Very low117 Ų117143.1 Ų143.182%0.81880%0.798SS**  163.9123.88456.70000111.1
222D25.3Very low28.6Very low158 Ų158139.2 Ų139.285%0.84578%0.783SS**  trans-70172.3163.2-92.5-33.8000111.2
223P40.7Very low29.6Very low119 Ų119136 Ų13677%0.77377%0.772SS**  cis-138.2155.88.633.2-12.8000115.8
224A23.8Very low30.5Very low90 Ų90130.7 Ų130.774%0.74476%0.757SS**  trans-172.4104.8133.900000110P226A224-P226 WeakPolarHBondContact O-CD 3.31Å
225Q29.3Very low31.3Very low196 Ų196130.3 Ų130.392%0.91675%0.746SS**  trans-64.5139.7164.5-72.2-177.3-39.900110.4
226P27.3Very low31.8Very low125 Ų125131.6 Ų131.681%0.81274%0.74SS**  trans-103.2133.4134.7-2.121.4000109A224A224-P226 WeakPolarHBondContact O-CD 3.31Å
227Q24.8Very low32.4Very low185 Ų185134.2 Ų134.286%0.86473%0.734SS**  trans-35.5133.7-177.5-72.1158.4-26.600115.2D229Q227-D229 PolarHBondContact O-N 2.9Å; Q227-D229 VanDerWaalsContact O-N 3.16Å
228S27.6Very low33Very low96 Ų96129.4 Ų129.467%0.67171%0.714SS**  trans-55.8109.8165.653.40000111.3Q230S228-Q230 PolarHBondContact O-N 2.66Å
229D32.9Very low34Very low156 Ų156127 Ų12783%0.83470%0.698SS**  trans-67.189.9151.5-117.7-8.7000106.8Q227 S231Q227-D229 PolarHBondContact O-N 2.9Å; Q227-D229 VanDerWaalsContact O-N 3.16Å; D229-S231 PolarHBondContact O-N 2.82Å
230Q33.6Very low35.3Very low180 Ų180123.4 Ų123.484%0.84168%0.681SS**  trans-67.673.8169.9-76.6-178.3-10.400109S228S228-Q230 PolarHBondContact O-N 2.66Å
231S39.7Very low36.3Very low73 Ų73124.4 Ų124.451%0.5168%0.677SS.*  trans-95.7112.3158.154.70000107.4D229D229-S231 PolarHBondContact O-N 2.82Å
232D45.3Very low37.1Very low89 Ų89125.3 Ų125.348%0.47667%0.667SS.*  trans-47.8124.8179.6178.8-4.7000110A234 Q235 K236D232-A234 PolarHBondContact O-N 3.08Å; D232-A234 VanDerWaalsContact O-N 3.11Å; D232-A234 WeakPolarHBondContact OD1-CB 3.34Å; D232-A234 PolarHBondContact OD1-N 2.73Å; D232-Q235 HydrophobicContact CB-CB 4.09Å; D232-Q235 WeakPolarHBondContact O-CA 3.42Å; D232-Q235 WeakPolarHBondContact O-CB 3.35Å; D232-Q235 PolarHBondContact O-N 3.35Å; D232-K236 PolarHBondContact O-N 3.45Å
233P45.3Very low38.3Very low91 Ų91123.5 Ų123.559%0.59165%0.649SS**Hα-helixtrans-53.8-33.1179.617.5-29.3000111.9Q235 K236 Y237P233-Q235 PolarHBondContact O-N 2.8Å; P233-K236 PolarHBondContact O-N 2.98Å; P233-Y237 WeakPolarHBondContact O-CD2 3.34Å; P233-Y237 PolarHBondContact O-N 2.98Å
234A43.8Very low38.7Very low57 Ų57124.9 Ų124.947%0.47164%0.642SS.*Hα-helixtrans-60.1-35.717400000112.3D232 Y237 L238D232-A234 PolarHBondContact O-N 3.08Å; D232-A234 VanDerWaalsContact O-N 3.11Å; D232-A234 WeakPolarHBondContact OD1-CB 3.34Å; D232-A234 PolarHBondContact OD1-N 2.73Å; A234-Y237 PolarHBondContact O-N 3.19Å; A234-L238 WeakPolarHBondContact O-CB 3.42Å; A234-L238 PolarHBondContact O-N 3.05Å
235Q40.3Very low39.8Very low130 Ų130123.8 Ų123.861%0.60763%0.629SS**Hα-helixtrans-74.6-32.8-180-147.3160.12.400112.1D232 P233 L238 S239D232-Q235 HydrophobicContact CB-CB 4.09Å; D232-Q235 WeakPolarHBondContact O-CA 3.42Å; D232-Q235 WeakPolarHBondContact O-CB 3.35Å; D232-Q235 PolarHBondContact O-N 3.35Å; P233-Q235 PolarHBondContact O-N 2.8Å; Q235-L238 PolarHBondContact O-N 3.15Å; Q235-S239 WeakPolarHBondContact O-CB 3.25Å; Q235-S239 PolarHBondContact O-N 3.31Å; Q235-S239 PolarHBondContact O-OG 3.36Å
236K36.3Very low41Very low143 Ų143119.9 Ų119.962%0.62262%0.615SS**Hα-helixtrans-70.1-39.9170.8-162172.8-175.2174.60111.9D232 P233 S239 V240D232-K236 PolarHBondContact O-N 3.45Å; P233-K236 PolarHBondContact O-N 2.98Å; K236-S239 PolarHBondContact O-OG 2.94Å; K236-V240 VanDerWaalsContact O-CG2 3.25Å; K236-V240 WeakPolarHBondContact O-CG2 3.5Å; K236-V240 PolarHBondContact O-N 3.49Å; K236-V240 VanDerWaalsContact O-N 3.08Å
237Y39.9Very low42.5Very low181 Ų181121.7 Ų121.771%0.7161%0.606SS**Hα-helixtrans-66.8-39.8171.6-81.2-75.4000112.2P233 A234 V240 R241P233-Y237 WeakPolarHBondContact O-CD2 3.34Å; P233-Y237 PolarHBondContact O-N 2.98Å; A234-Y237 PolarHBondContact O-N 3.19Å; Y237-V240 PolarHBondContact O-N 3.09Å; Y237-R241 VanDerWaalsContact O-CB 3.31Å; Y237-R241 WeakPolarHBondContact O-CB 3.32Å; Y237-R241 PolarHBondContact O-N 3.4Å
238L41.1Very low44.1Very low97 Ų97120 Ų12051%0.50860%0.595SS.*Hα-helixtrans-66.9-37.2177.2-143.589.7000112A234 Q235 R241 K242A234-L238 WeakPolarHBondContact O-CB 3.42Å; A234-L238 PolarHBondContact O-N 3.05Å; Q235-L238 PolarHBondContact O-N 3.15Å; L238-R241 PolarHBondContact O-N 3.02Å; L238-K242 VanDerWaalsContact O-CB 3.27Å; L238-K242 WeakPolarHBondContact O-CB 3.44Å; L238-K242 WeakPolarHBondContact O-CG 3.38Å; L238-K242 PolarHBondContact O-N 3.31Å
239S44.4Very low45.6Very low63 Ų63118.5 Ų118.544%0.44158%0.582SS.*Hα-helixtrans-70.3-39.7177.170.30000111.7Q235 K236 K242 Y243Q235-S239 WeakPolarHBondContact O-CB 3.25Å; Q235-S239 PolarHBondContact O-N 3.31Å; Q235-S239 PolarHBondContact O-OG 3.36Å; K236-S239 PolarHBondContact O-OG 2.94Å; S239-K242 PolarHBondContact O-N 2.73Å; S239-Y243 WeakPolarHBondContact O-CB 3.44Å; S239-Y243 PolarHBondContact O-N 2.91Å
240V50.5Low47Very low71 Ų71115.8 Ų115.843%0.4356%0.56SS.*Hα-helixtrans-66.2-39.1172.6173.40000111.5K236 Y237 Y243 K244K236-V240 VanDerWaalsContact O-CG2 3.25Å; K236-V240 WeakPolarHBondContact O-CG2 3.5Å; K236-V240 PolarHBondContact O-N 3.49Å; K236-V240 VanDerWaalsContact O-N 3.08Å; Y237-V240 PolarHBondContact O-N 3.09Å; V240-Y243 PolarHBondContact O-N 2.94Å; V240-K244 WeakPolarHBondContact O-CB 3.26Å; V240-K244 WeakPolarHBondContact O-CG 3.41Å; V240-K244 PolarHBondContact O-N 2.94Å
241R45.5Very low48.6Very low195 Ų195110 Ų11074%0.73654%0.54SS*.Hα-helixtrans-69.8-42.5176-167176.1-177.3175.10.9112Y237 L238 Y243 K244 S245Y237-R241 VanDerWaalsContact O-CB 3.31Å; Y237-R241 WeakPolarHBondContact O-CB 3.32Å; Y237-R241 PolarHBondContact O-N 3.4Å; L238-R241 PolarHBondContact O-N 3.02Å; R241-Y243 VanDerWaalsContact C-N 3.31Å; R241-Y243 PolarHBondContact O-N 3.12Å; R241-K244 PolarHBondContact O-N 3.48Å; R241-S245 VanDerWaalsContact O-CB 3.24Å; R241-S245 WeakPolarHBondContact O-CB 3.42Å; R241-S245 PolarHBondContact O-N 3.03Å
242K42.6Very low50.2Low137 Ų137111.6 Ų111.660%0.59654%0.539SS*.Hα-helixtrans-62-38.7171.1-82.2-178.5177.2179.20111.3L238 S239 S245 N246L238-K242 VanDerWaalsContact O-CB 3.27Å; L238-K242 WeakPolarHBondContact O-CB 3.44Å; L238-K242 WeakPolarHBondContact O-CG 3.38Å; L238-K242 PolarHBondContact O-N 3.31Å; S239-K242 PolarHBondContact O-N 2.73Å; K242-S245 PolarHBondContact O-N 3.03Å; K242-N246 VanDerWaalsContact O-CB 3.26Å; K242-N246 WeakPolarHBondContact O-CB 3.31Å; K242-N246 PolarHBondContact O-N 2.89Å
243Y50.4Low51.6Low120 Ų120113.3 Ų113.347%0.47154%0.544SS..Hα-helixtrans-66.2-47.5175.6-179.3-94000111.9S239 V240 R241 S245 N246 R247S239-Y243 WeakPolarHBondContact O-CB 3.44Å; S239-Y243 PolarHBondContact O-N 2.91Å; V240-Y243 PolarHBondContact O-N 2.94Å; R241-Y243 VanDerWaalsContact C-N 3.31Å; R241-Y243 PolarHBondContact O-N 3.12Å; Y243-S245 PolarHBondContact O-N 3.05Å; Y243-N246 PolarHBondContact O-N 3.25Å; Y243-R247 VanDerWaalsContact O-CB 3.26Å; Y243-R247 WeakPolarHBondContact O-CB 3.23Å; Y243-R247 PolarHBondContact O-N 3.27Å
244K48.6Very low53.1Low147 Ų147110.2 Ų110.264%0.63952%0.523SS*.Hα-helixtrans-62-41.2174-77.8-175178.7-177.40112V240 R241 R247 K248V240-K244 WeakPolarHBondContact O-CB 3.26Å; V240-K244 WeakPolarHBondContact O-CG 3.41Å; V240-K244 PolarHBondContact O-N 2.94Å; R241-K244 PolarHBondContact O-N 3.48Å; K244-R247 PolarHBondContact O-N 2.91Å; K244-K248 WeakPolarHBondContact O-CB 3.37Å; K244-K248 PolarHBondContact O-N 3.42Å
245S45.9Very low55Low67 Ų67110.7 Ų110.747%0.46952%0.517SS..Hα-helixtrans-63.2-51.1175.5-169.70000111.2R241 K242 Y243 R247 K248 T249R241-S245 VanDerWaalsContact O-CB 3.24Å; R241-S245 WeakPolarHBondContact O-CB 3.42Å; R241-S245 PolarHBondContact O-N 3.03Å; K242-S245 PolarHBondContact O-N 3.03Å; Y243-S245 PolarHBondContact O-N 3.05Å; S245-R247 VanDerWaalsContact C-N 3.3Å; S245-R247 PolarHBondContact O-N 3.18Å; S245-K248 PolarHBondContact O-N 3.19Å; S245-K248 VanDerWaalsContact O-N 3.14Å; S245-T249 PolarHBondContact O-N 3.1Å; S245-T249 PolarHBondContact O-OG1 3.32Å
246N56Low57.2Low114 Ų114107.8 Ų107.861%0.6150%0.504SS*.Hα-helixtrans-60.9-38176.3-89.9-10.9000111.9K242 Y243 R250K242-N246 VanDerWaalsContact O-CB 3.26Å; K242-N246 WeakPolarHBondContact O-CB 3.31Å; K242-N246 PolarHBondContact O-N 2.89Å; Y243-N246 PolarHBondContact O-N 3.25Å; N246-R250 WeakPolarHBondContact O-CB 3.26Å; N246-R250 PolarHBondContact O-N 3.37Å
247R57.6Low59.5Low164 Ų164101.6 Ų101.662%0.61948%0.478SS*.Hα-helixtrans-65.3-40175.8-167.4175.1-177.5178.20.6111.5Y243 K244 S245 R250 S251Y243-R247 VanDerWaalsContact O-CB 3.26Å; Y243-R247 WeakPolarHBondContact O-CB 3.23Å; Y243-R247 PolarHBondContact O-N 3.27Å; K244-R247 PolarHBondContact O-N 2.91Å; S245-R247 VanDerWaalsContact C-N 3.3Å; S245-R247 PolarHBondContact O-N 3.18Å; R247-R250 PolarHBondContact O-N 2.85Å; R247-S251 VanDerWaalsContact O-CB 3.28Å; R247-S251 WeakPolarHBondContact O-CB 3.38Å; R247-S251 PolarHBondContact O-N 3.13Å
248K59Low61.8Low150 Ų15093.2 Ų93.265%0.65245%0.446SS*.Hα-helixtrans-66.2-48.5176.1-165.2175.8-177.2-179.90111.8K244 S245 R250 S251 Q252K244-K248 WeakPolarHBondContact O-CB 3.37Å; K244-K248 PolarHBondContact O-N 3.42Å; S245-K248 PolarHBondContact O-N 3.19Å; S245-K248 VanDerWaalsContact O-N 3.14Å; K248-R250 VanDerWaalsContact C-N 3.29Å; K248-R250 PolarHBondContact O-N 2.95Å; K248-S251 PolarHBondContact O-N 2.96Å; K248-Q252 WeakPolarHBondContact O-CG 3.34Å; K248-Q252 PolarHBondContact O-N 2.99Å
249T59.8Low64.2Low64 Ų6489.6 Ų89.639%0.39343%0.426SS..Hα-helixtrans-61.8-38.3176-47.80000111.7S245 Q252 Q253S245-T249 PolarHBondContact O-N 3.1Å; S245-T249 PolarHBondContact O-OG1 3.32Å; T249-Q252 PolarHBondContact O-N 2.75Å; T249-Q253 WeakPolarHBondContact O-CG 3.29Å; T249-Q253 PolarHBondContact O-N 3.5Å
250R60.4Low66.5Low98 Ų9886.6 Ų86.637%0.3741%0.405SS..Hα-helixtrans-73.6-35.9-178.6-171.1168.4-178.9177.4-7.4112.7K164 C168 N246 R247 K248 D254K164-R250 HydrophobicContact CD-CG 4.43Å; K164-R250 PolarHBondContact NZ-O 3.49Å; C168-R250 PolarHBondContact SG-NH1 3.33Å; C168-R250 PolarHBondContact SG-NH2 2.96Å; C168-R250 VanDerWaalsContact SG-NH2 3.38Å; N246-R250 WeakPolarHBondContact O-CB 3.26Å; N246-R250 PolarHBondContact O-N 3.37Å; R247-R250 PolarHBondContact O-N 2.85Å; K248-R250 VanDerWaalsContact C-N 3.29Å; K248-R250 PolarHBondContact O-N 2.95Å; R250-D254 PolarHBondContact O-N 3.49Å
251S68.2Low68.4Low60 Ų6083.3 Ų83.342%0.4239%0.385SS..Hα-helixtrans-67.7-37.1171.3168.70000111.9R247 K248 D254 L255R247-S251 VanDerWaalsContact O-CB 3.28Å; R247-S251 WeakPolarHBondContact O-CB 3.38Å; R247-S251 PolarHBondContact O-N 3.13Å; K248-S251 PolarHBondContact O-N 2.96Å; S251-D254 PolarHBondContact O-N 3.44Å; S251-L255 PolarHBondContact O-N 3.3Å
252Q73.4Confident70.7Confident106 Ų10674 Ų7450%0.49535%0.35SS..Hα-helixtrans-64.1-44.7172.7-76.3179.8-35.100112K248 T249 D254 L255 M256K248-Q252 WeakPolarHBondContact O-CG 3.34Å; K248-Q252 PolarHBondContact O-N 2.99Å; T249-Q252 PolarHBondContact O-N 2.75Å; Q252-D254 VanDerWaalsContact C-N 3.3Å; Q252-D254 PolarHBondContact O-N 3.16Å; Q252-L255 PolarHBondContact O-N 3.35Å; Q252-M256 VanDerWaalsContact O-CG 3.31Å; Q252-M256 WeakPolarHBondContact O-CG 3.34Å; Q252-M256 PolarHBondContact O-N 3.34Å
253Q74.8Confident73.2Confident124 Ų12467.5 Ų67.558%0.57932%0.321SS*.Hα-helixtrans-60.7-38.2176.4-75.1176.4-22.700113.2T249 M256 M257T249-Q253 WeakPolarHBondContact O-CG 3.29Å; T249-Q253 PolarHBondContact O-N 3.5Å; Q253-M256 PolarHBondContact O-N 3.46Å; Q253-M257 PolarHBondContact O-N 2.97Å; Q253-M257 VanDerWaalsContact O-N 3.08Å
254D76.6Confident75.3Confident26 Ų2661.8 Ų61.814%0.13930%0.299CS..Hα-helixtrans-64-47.9175.5-75.4-32.1000111.7L161 K164 R250 S251 Q252 M256 M257 C258L161-D254 HydrophobicContact CD2-CB 3.48Å; L161-D254 VanDerWaalsContact CD2-CB 3.48Å; K164-D254 WeakPolarHBondContact CD-OD1 3.33Å; K164-D254 WeakPolarHBondContact CD-OD2 3.32Å; K164-D254 WeakPolarHBondContact CE-OD1 3.36Å; K164-D254 VanDerWaalsContact CE-OD2 3.28Å; K164-D254 WeakPolarHBondContact CE-OD2 3.41Å; K164-D254 IonicContact NZ-OD1 3.82Å; K164-D254 PolarHBondContact NZ-OD1 3.24Å; K164-D254 IonicContact NZ-OD2 3.83Å; K164-D254 PolarHBondContact NZ-OD2 2.98Å; R250-D254 PolarHBondContact O-N 3.49Å; S251-D254 PolarHBondContact O-N 3.44Å; Q252-D254 VanDerWaalsContact C-N 3.3Å; Q252-D254 PolarHBondContact O-N 3.16Å; D254-M256 VanDerWaalsContact C-N 3.3Å; D254-M256 PolarHBondContact O-N 3.1Å; D254-M257 WeakPolarHBondContact O-CB 3.39Å; D254-M257 PolarHBondContact O-N 3.5Å; D254-M257 VanDerWaalsContact O-N 3.16Å; D254-C258 PolarHBondContact O-N 2.71Å; D254-C258 PolarHBondContact O-SG 2.94Å
255L82.8Confident77.5Confident67 Ų6754.9 Ų54.935%0.35127%0.269SS..Hα-helixtrans-59.8-41.7177.3-178.465.2000111.5S251 Q252 M257 C258 K259S251-L255 PolarHBondContact O-N 3.3Å; Q252-L255 PolarHBondContact O-N 3.35Å; L255-M257 VanDerWaalsContact C-N 3.33Å; L255-M257 PolarHBondContact O-N 2.94Å; L255-C258 WeakPolarHBondContact O-CB 3.45Å; L255-C258 PolarHBondContact O-N 3.19Å; L255-K259 HydrophobicContact CG-CD 4.42Å; L255-K259 VanDerWaalsContact O-CG 3.31Å; L255-K259 WeakPolarHBondContact O-CG 3.47Å; L255-K259 PolarHBondContact O-N 2.86Å
256M87.3Confident79.9Confident69 Ų6951.7 Ų51.734%0.3425%0.247SC..Hα-helixtrans-64.4-37.5176.9-65.6-51.2-17600112.5Q252 Q253 D254 K259 A260 F328Q252-M256 VanDerWaalsContact O-CG 3.31Å; Q252-M256 WeakPolarHBondContact O-CG 3.34Å; Q252-M256 PolarHBondContact O-N 3.34Å; Q253-M256 PolarHBondContact O-N 3.46Å; D254-M256 VanDerWaalsContact C-N 3.3Å; D254-M256 PolarHBondContact O-N 3.1Å; M256-K259 PolarHBondContact O-N 3.34Å; M256-K259 HydrophobicContact SD-CD 4.16Å; M256-A260 WeakPolarHBondContact O-CB 3.34Å; M256-A260 PolarHBondContact O-N 3.15Å; M256-F328 HydrophobicContact CB-CB 4.27Å; M256-F328 WeakPolarHBondContact CB-O 3.39Å; M256-F328 HydrophobicContact SD-CD1 3.98Å
257M84.4Confident81.8Confident14 Ų1446.2 Ų46.27%0.06922%0.217CC..Hα-helixtrans-64.4-42.7173.9-173-172.767.500111.6P122 L157 I160 Q253 D254 L255 K259 A260 M261P122-M257 HydrophobicContact CB-SD 3.93Å; P122-M257 HydrophobicContact CG-SD 4.26Å; L157-M257 HydrophobicContact CD1-CE 3.61Å; I160-M257 HydrophobicContact CB-CE 4.39Å; I160-M257 HydrophobicContact CD1-CE 4.48Å; I160-M257 HydrophobicContact CG2-CE 3.73Å; Q253-M257 PolarHBondContact O-N 2.97Å; Q253-M257 VanDerWaalsContact O-N 3.08Å; D254-M257 WeakPolarHBondContact O-CB 3.39Å; D254-M257 PolarHBondContact O-N 3.5Å; D254-M257 VanDerWaalsContact O-N 3.16Å; L255-M257 VanDerWaalsContact C-N 3.33Å; L255-M257 PolarHBondContact O-N 2.94Å; M257-K259 PolarHBondContact O-N 3.11Å; M257-A260 PolarHBondContact O-N 3.06Å; M257-M261 HydrophobicContact CG-CE 3.87Å; M257-M261 HydrophobicContact CG-SD 4.36Å; M257-M261 WeakPolarHBondContact O-CG 3.32Å; M257-M261 PolarHBondContact O-N 3.12Å; M257-M261 HydrophobicContact SD-CE 4.09Å
258C88Confident83.7Confident5 Ų538.4 Ų38.43%0.03419%0.188CC..Hα-helixtrans-56.7-51174.6-57.70000110.5L157 D254 L255 A260 M261 C262 H569L157-C258 HydrophobicContact CD1-CB 4.26Å; L157-C258 VanDerWaalsContact CD1-SG 3.54Å; L157-C258 HydrophobicContact CD2-CB 3.68Å; L157-C258 VanDerWaalsContact CD2-SG 3.55Å; L157-C258 HydrophobicContact CG-CB 4.42Å; D254-C258 PolarHBondContact O-N 2.71Å; D254-C258 PolarHBondContact O-SG 2.94Å; L255-C258 WeakPolarHBondContact O-CB 3.45Å; L255-C258 PolarHBondContact O-N 3.19Å; C258-A260 PolarHBondContact O-N 3.21Å; C258-M261 PolarHBondContact O-N 3.5Å; C258-C262 VanDerWaalsContact O-CB 3.31Å; C258-C262 WeakPolarHBondContact O-CB 3.33Å; C258-C262 PolarHBondContact O-N 3.06Å; C258-C262 PolarHBondContact O-SG 3.34Å; C258-H569 HydrophobicContact CB-CB 4.39Å
259K91.5Very high85.5Confident20 Ų2031.3 Ų31.39%0.08716%0.157CC..Hα-helixtrans-57.8-48.6178.6-72.1177175.8-1620112L255 M256 M257 M261 C262 I263 F328 H569 I570 D574L255-K259 HydrophobicContact CG-CD 4.42Å; L255-K259 VanDerWaalsContact O-CG 3.31Å; L255-K259 WeakPolarHBondContact O-CG 3.47Å; L255-K259 PolarHBondContact O-N 2.86Å; M256-K259 PolarHBondContact O-N 3.34Å; M256-K259 HydrophobicContact SD-CD 4.16Å; M257-K259 PolarHBondContact O-N 3.11Å; K259-M261 PolarHBondContact O-N 2.91Å; K259-C262 PolarHBondContact O-N 3.07Å; K259-I263 WeakPolarHBondContact O-CB 3.36Å; K259-I263 VanDerWaalsContact O-CG1 3.3Å; K259-I263 WeakPolarHBondContact O-CG1 3.27Å; K259-I263 PolarHBondContact O-N 3.34Å; K259-F328 HydrophobicContact CB-CD1 4.08Å; K259-F328 HydrophobicContact CB-CE1 3.99Å; K259-F328 HydrophobicContact CD-CD1 4.46Å; K259-F328 HydrophobicContact CD-CE1 4.16Å; K259-H569 VanDerWaalsContact CG-O 3.23Å; K259-H569 WeakPolarHBondContact CG-O 2.9Å; K259-I570 HydrophobicContact CB-CG2 4.22Å; K259-I570 HydrophobicContact CG-CG2 4.09Å; K259-D574 WeakPolarHBondContact CE-OD2 3.08Å; K259-D574 VanDerWaalsContact NZ-CG 3.26Å; K259-D574 IonicContact NZ-OD1 3.4Å; K259-D574 PolarHBondContact NZ-OD1 3.35Å; K259-D574 VanDerWaalsContact NZ-OD1 3.11Å; K259-D574 IonicContact NZ-OD2 3.38Å; K259-D574 PolarHBondContact NZ-OD2 3.09Å
260A92.3Very high87.2Confident0 Ų028.3 Ų28.30%014%0.139CC..Hα-helixtrans-62.3-44.3-178.300000112.3M126 M256 M257 C258 G264 F328 L329M126-A260 HydrophobicContact SD-CB 3.77Å; M256-A260 WeakPolarHBondContact O-CB 3.34Å; M256-A260 PolarHBondContact O-N 3.15Å; M257-A260 PolarHBondContact O-N 3.06Å; C258-A260 PolarHBondContact O-N 3.21Å; A260-G264 WeakPolarHBondContact O-CA 3.02Å; A260-G264 PolarHBondContact O-N 3.39Å; A260-F328 HydrophobicContact CB-CB 3.79Å; A260-F328 HydrophobicContact CB-CD2 3.99Å; A260-F328 HydrophobicContact CB-CG 4.08Å; A260-L329 HydrophobicContact CB-CD1 3.65Å
261M91.4Very high88.9Confident3 Ų323.7 Ų23.72%0.01512%0.121CC..Hα-helixtrans-65.2-47.3177.2-71.4-179.3177.900111.5L125 M126 V153 L157 M257 C258 K259 G264 I265L125-M261 HydrophobicContact CB-CE 4.39Å; L125-M261 HydrophobicContact CD2-CE 3.89Å; L125-M261 HydrophobicContact CG-CE 4.13Å; M126-M261 HydrophobicContact CB-CG 4.41Å; M126-M261 HydrophobicContact CG-CG 4.43Å; V153-M261 HydrophobicContact CG1-CB 4.14Å; L157-M261 HydrophobicContact CD1-SD 4.29Å; M257-M261 HydrophobicContact CG-CE 3.87Å; M257-M261 HydrophobicContact CG-SD 4.36Å; M257-M261 WeakPolarHBondContact O-CG 3.32Å; M257-M261 PolarHBondContact O-N 3.12Å; M257-M261 HydrophobicContact SD-CE 4.09Å; C258-M261 PolarHBondContact O-N 3.5Å; K259-M261 PolarHBondContact O-N 2.91Å; M261-G264 PolarHBondContact O-N 3.43Å; M261-I265 WeakPolarHBondContact O-CG1 3.24Å; M261-I265 PolarHBondContact O-N 2.67Å
262C92.9Very high90.3Very high0 Ų020.8 Ų20.80%010%0.101CC..Hα-helixtrans-57.9-54.6178.4-71.80000111.5C258 K259 G264 I265 A266 V564 I570C258-C262 VanDerWaalsContact O-CB 3.31Å; C258-C262 WeakPolarHBondContact O-CB 3.33Å; C258-C262 PolarHBondContact O-N 3.06Å; C258-C262 PolarHBondContact O-SG 3.34Å; K259-C262 PolarHBondContact O-N 3.07Å; C262-G264 VanDerWaalsContact C-N 3.31Å; C262-G264 PolarHBondContact O-N 3.34Å; C262-I265 PolarHBondContact O-N 3.32Å; C262-A266 PolarHBondContact O-N 3.01Å; C262-V564 VanDerWaalsContact C-CG1 3.42Å; C262-V564 HydrophobicContact CB-CG1 3.48Å; C262-V564 VanDerWaalsContact CB-CG1 3.48Å; C262-V564 WeakPolarHBondContact O-CG1 3.5Å; C262-I570 HydrophobicContact CB-CG2 4.03Å
263I95.1Very high91.3Very high0 Ų015.8 Ų15.80%08%0.078CC..Hα-helixtrans-62.2-40.9178.9-68170.8000110.7K259 I265 A266 Y267 L324 F328 I570 D574 A578K259-I263 WeakPolarHBondContact O-CB 3.36Å; K259-I263 VanDerWaalsContact O-CG1 3.3Å; K259-I263 WeakPolarHBondContact O-CG1 3.27Å; K259-I263 PolarHBondContact O-N 3.34Å; I263-I265 VanDerWaalsContact C-N 3.29Å; I263-I265 PolarHBondContact O-N 3.26Å; I263-A266 PolarHBondContact O-N 3.43Å; I263-Y267 HydrophobicContact CG2-CD1 4.26Å; I263-Y267 HydrophobicContact CG2-CD2 3.66Å; I263-Y267 HydrophobicContact CG2-CE1 3.92Å; I263-Y267 HydrophobicContact CG2-CE2 3.29Å; I263-Y267 HydrophobicContact CG2-CG 4.14Å; I263-Y267 VanDerWaalsContact CG2-CZ 3.4Å; I263-Y267 PolarHBondContact O-N 2.95Å; I263-L324 HydrophobicContact CG2-CD1 4.35Å; I263-L324 HydrophobicContact CG2-CD2 3.89Å; I263-F328 HydrophobicContact CD1-CE1 4.45Å; I263-F328 HydrophobicContact CD1-CE2 3.85Å; I263-F328 HydrophobicContact CD1-CZ 3.52Å; I263-I570 HydrophobicContact CD1-CG2 4.12Å; I263-I570 HydrophobicContact CG1-CD1 4.39Å; I263-I570 HydrophobicContact CG1-CG2 3.89Å; I263-D574 HydrophobicContact CD1-CB 4.12Å; I263-A578 HydrophobicContact CD1-CB 4.49Å; I263-A578 HydrophobicContact CG2-CB 4.03Å
264G95.6Very high92.3Very high0 Ų09.9 Ų9.90%05%0.05CC..Hα-helixtrans-55.8-42.7176.300000112.5A260 M261 C262 S268A260-G264 WeakPolarHBondContact O-CA 3.02Å; A260-G264 PolarHBondContact O-N 3.39Å; M261-G264 PolarHBondContact O-N 3.43Å; C262-G264 VanDerWaalsContact C-N 3.31Å; C262-G264 PolarHBondContact O-N 3.34Å; G264-S268 WeakPolarHBondContact O-CB 3.38Å; G264-S268 PolarHBondContact O-N 2.83Å; G264-S268 PolarHBondContact O-OG 3.14Å
265I95.6Very high93.2Very high1 Ų18.6 Ų8.61%0.0054%0.043CC..Hα-helixtrans-62.4-53.4176.1-69.8-55.9000111.6F129 C133 V146 V149 M150 V153 M261 C262 I263 Y267 S268 S269F129-I265 HydrophobicContact CB-CD1 3.76Å; F129-I265 WeakPolarHBondContact O-CD1 3.5Å; C133-I265 HydrophobicContact CB-CD1 3.88Å; V146-I265 HydrophobicContact CB-CG2 4.31Å; V146-I265 HydrophobicContact CG1-CG2 4.04Å; V146-I265 HydrophobicContact CG2-CG2 3.98Å; V149-I265 HydrophobicContact CG1-CD1 3.55Å; V149-I265 HydrophobicContact CG1-CG1 4.28Å; M150-I265 HydrophobicContact CG-CG2 4.1Å; M150-I265 HydrophobicContact SD-CB 4.02Å; M150-I265 HydrophobicContact SD-CG1 4.23Å; M150-I265 HydrophobicContact SD-CG2 3.84Å; V153-I265 HydrophobicContact CG2-CD1 4.1Å; V153-I265 HydrophobicContact CG2-CG1 3.97Å; M261-I265 WeakPolarHBondContact O-CG1 3.24Å; M261-I265 PolarHBondContact O-N 2.67Å; C262-I265 PolarHBondContact O-N 3.32Å; I263-I265 VanDerWaalsContact C-N 3.29Å; I263-I265 PolarHBondContact O-N 3.26Å; I265-Y267 VanDerWaalsContact C-N 3.3Å; I265-Y267 PolarHBondContact O-N 3.37Å; I265-S268 WeakPolarHBondContact CA-OG 3.26Å; I265-S268 PolarHBondContact O-N 3.02Å; I265-S268 PolarHBondContact O-OG 3.2Å; I265-S269 PolarHBondContact O-N 2.8Å
266A95.5Very high93.6Very high0 Ų05.4 Ų5.40%03%0.027CC..Hα-helixtrans-53.5-49.7178.300000111.1C262 I263 S269 N270 V564C262-A266 PolarHBondContact O-N 3.01Å; I263-A266 PolarHBondContact O-N 3.43Å; A266-S269 PolarHBondContact O-N 3.44Å; A266-S269 PolarHBondContact O-OG 3.47Å; A266-N270 PolarHBondContact O-N 3.38Å; A266-V564 HydrophobicContact CB-CB 4.22Å; A266-V564 HydrophobicContact CB-CG2 3.71Å
267Y96.8Very high93.6Very high0 Ų02.4 Ų2.40%01%0.012CC..Hα-helixtrans-68.8-41.1-176.6-65.9-0.9000112.3I263 I265 S269 N270 I271 T320 L324 F552 M575 A578 G579 V582I263-Y267 HydrophobicContact CG2-CD1 4.26Å; I263-Y267 HydrophobicContact CG2-CD2 3.66Å; I263-Y267 HydrophobicContact CG2-CE1 3.92Å; I263-Y267 HydrophobicContact CG2-CE2 3.29Å; I263-Y267 HydrophobicContact CG2-CG 4.14Å; I263-Y267 VanDerWaalsContact CG2-CZ 3.4Å; I263-Y267 PolarHBondContact O-N 2.95Å; I265-Y267 VanDerWaalsContact C-N 3.3Å; I265-Y267 PolarHBondContact O-N 3.37Å; Y267-S269 VanDerWaalsContact C-N 3.26Å; Y267-S269 PolarHBondContact O-N 2.88Å; Y267-N270 PolarHBondContact O-N 3.08Å; Y267-I271 VanDerWaalsContact O-CG1 3.27Å; Y267-I271 WeakPolarHBondContact O-CG1 3.26Å; Y267-I271 PolarHBondContact O-N 3.17Å; Y267-T320 HydrophobicContact CD2-CG2 4.26Å; Y267-L324 HydrophobicContact CD2-CD1 4.39Å; Y267-L324 HydrophobicContact CD2-CD2 4.43Å; Y267-L324 HydrophobicContact CE2-CD2 4.32Å; Y267-F552 HydrophobicContact CD1-CB 4.31Å; Y267-F552 AromaticContact CD1-CD1 3.45Å; Y267-F552 HydrophobicContact CD1-CD1 3.45Å; Y267-F552 VanDerWaalsContact CD1-CD1 3.45Å; Y267-F552 HydrophobicContact CD1-CE1 4.16Å; Y267-F552 HydrophobicContact CD1-CG 4.27Å; Y267-F552 HydrophobicContact CD2-CD1 4.45Å; Y267-F552 HydrophobicContact CE1-CB 3.94Å; Y267-F552 AromaticContact CE1-CD1 3.95Å; Y267-F552 HydrophobicContact CE1-CD1 3.95Å; Y267-F552 HydrophobicContact CE1-CG 4.4Å; Y267-F552 WeakPolarHBondContact CE1-O 3.39Å; Y267-F552 AromaticContact CG-CD1 3.75Å; Y267-F552 HydrophobicContact CG-CD1 3.75Å; Y267-F552 HydrophobicContact CG-CE1 4.16Å; Y267-F552 PolarHBondContact OH-O 3Å; Y267-M575 HydrophobicContact CE1-CE 3.75Å; Y267-M575 HydrophobicContact CE1-CG 4.48Å; Y267-M575 WeakPolarHBondContact OH-CG 3.47Å; Y267-M575 PolarHBondContact OH-O 3.45Å; Y267-A578 HydrophobicContact CE2-CB 3.85Å; Y267-G579 WeakPolarHBondContact OH-CA 3.45Å; Y267-G579 PolarHBondContact OH-N 3.47Å; Y267-V582 HydrophobicContact CD2-CB 4.37Å; Y267-V582 HydrophobicContact CD2-CG1 4.48Å; Y267-V582 HydrophobicContact CD2-CG2 3.73Å; Y267-V582 HydrophobicContact CE2-CB 4.47Å; Y267-V582 HydrophobicContact CE2-CG2 3.88Å
268S96.6Very high93.6Very high0 Ų02.7 Ų2.70%02%0.015CC..Hα-helixtrans-62-31.9177.267.90000113.3M130 C133 A134 G264 I265 I271 G272M130-S268 WeakPolarHBondContact O-CB 3.38Å; M130-S268 PolarHBondContact O-OG 2.91Å; C133-S268 WeakPolarHBondContact CB-OG 3.49Å; A134-S268 VanDerWaalsContact CA-O 3.29Å; A134-S268 WeakPolarHBondContact CA-O 3.21Å; A134-S268 WeakPolarHBondContact CB-O 3.48Å; G264-S268 WeakPolarHBondContact O-CB 3.38Å; G264-S268 PolarHBondContact O-N 2.83Å; G264-S268 PolarHBondContact O-OG 3.14Å; I265-S268 WeakPolarHBondContact CA-OG 3.26Å; I265-S268 PolarHBondContact O-N 3.02Å; I265-S268 PolarHBondContact O-OG 3.2Å; S268-I271 PolarHBondContact O-N 3.03Å; S268-G272 PolarHBondContact O-N 3.49Å
269S96Very high93.5Very high0 Ų02.5 Ų2.50%01%0.014CC..Hα-helixtrans-62.2-48.1172.973.70000111.8S137 V146 I265 A266 Y267 I271 G272 G273 S560S137-S269 VanDerWaalsContact CB-O 3.23Å; S137-S269 WeakPolarHBondContact CB-O 3.38Å; S137-S269 PolarHBondContact OG-O 3.39Å; V146-S269 WeakPolarHBondContact CG2-OG 3.28Å; I265-S269 PolarHBondContact O-N 2.8Å; A266-S269 PolarHBondContact O-N 3.44Å; A266-S269 PolarHBondContact O-OG 3.47Å; Y267-S269 VanDerWaalsContact C-N 3.26Å; Y267-S269 PolarHBondContact O-N 2.88Å; S269-I271 PolarHBondContact O-N 3.49Å; S269-G272 PolarHBondContact O-N 2.94Å; S269-G273 PolarHBondContact O-N 3.41Å; S269-S560 WeakPolarHBondContact OG-CB 3.49Å
270N95.6Very high93.5Very high1 Ų12 Ų21%0.0051%0.013CC..Hα-helixtrans-67.2-37.9178.4-62.2-14.7000111.9N142 A266 Y267 G272 G273 I274 S551 F552 N558 S560N142-N270 PolarHBondContact ND2-OD1 3.07Å; A266-N270 PolarHBondContact O-N 3.38Å; Y267-N270 PolarHBondContact O-N 3.08Å; N270-G272 VanDerWaalsContact C-N 3.33Å; N270-G273 PolarHBondContact O-N 3.27Å; N270-I274 PolarHBondContact O-N 3.38Å; N270-S551 PolarHBondContact ND2-O 3.21Å; N270-F552 HydrophobicContact CB-CE1 3.64Å; N270-F552 HydrophobicContact CB-CZ 4.01Å; N270-N558 PolarHBondContact ND2-ND2 3.21Å; N270-N558 PolarHBondContact OD1-ND2 3.12Å; N270-S560 PolarHBondContact OD1-OG 3.32Å; N270-S560 VanDerWaalsContact OD1-OG 3.11Å
271I97.4Very high93.2Very high1 Ų13.3 Ų3.31%0.0052%0.022CC..Hα-helixtrans-63.9-38.2173.8-64168000111.3Y267 S268 S269 I274 S313 M316 L317 T320 F552Y267-I271 VanDerWaalsContact O-CG1 3.27Å; Y267-I271 WeakPolarHBondContact O-CG1 3.26Å; Y267-I271 PolarHBondContact O-N 3.17Å; S268-I271 PolarHBondContact O-N 3.03Å; S269-I271 PolarHBondContact O-N 3.49Å; I271-I274 WeakPolarHBondContact O-CG1 3.47Å; I271-S313 VanDerWaalsContact CG2-O 3.27Å; I271-S313 WeakPolarHBondContact CG2-O 3.42Å; I271-S313 WeakPolarHBondContact O-CB 3.07Å; I271-M316 HydrophobicContact CD1-CB 4.31Å; I271-M316 HydrophobicContact CG1-CB 4.34Å; I271-M316 HydrophobicContact CG1-CE 4.08Å; I271-M316 HydrophobicContact CG2-CB 3.88Å; I271-L317 HydrophobicContact CG2-CB 4.19Å; I271-T320 HydrophobicContact CD1-CG2 4.23Å; I271-F552 HydrophobicContact CG1-CZ 4.04Å
272G96.2Very high93.2Very high0 Ų03.2 Ų3.20%02%0.021CC..Hα-helixtrans-66.3-45.5174.800000111.9A134 M138 S268 S269 N270 I274 T275A134-G272 VanDerWaalsContact O-CA 3.26Å; A134-G272 WeakPolarHBondContact O-CA 3.37Å; M138-G272 WeakPolarHBondContact CG-O 3.22Å; S268-G272 PolarHBondContact O-N 3.49Å; S269-G272 PolarHBondContact O-N 2.94Å; N270-G272 VanDerWaalsContact C-N 3.33Å; G272-I274 PolarHBondContact O-N 3.26Å; G272-T275 WeakPolarHBondContact O-CB 3.25Å; G272-T275 PolarHBondContact O-N 3.37Å; G272-T275 PolarHBondContact O-OG1 3.14Å
273G94.6Very high93.2Very high0 Ų03.2 Ų3.20%02%0.021CC..Hα-helixtrans-58.5-30.2-177.600000114.6S137 S269 N270 T275 G279 T280 N283S137-G273 WeakPolarHBondContact O-CA 3.34Å; S269-G273 PolarHBondContact O-N 3.41Å; N270-G273 PolarHBondContact O-N 3.27Å; G273-T275 VanDerWaalsContact C-N 3.25Å; G273-T275 PolarHBondContact O-N 3.47Å; G273-G279 CarbonylContact O-C 3.24Å; G273-G279 WeakPolarHBondContact O-CA 3.32Å; G273-T280 WeakPolarHBondContact O-CG2 3.38Å; G273-T280 PolarHBondContact O-N 2.94Å; G273-N283 PolarHBondContact O-ND2 3.12Å
274I95.8Very high92.7Very high0 Ų03.7 Ų3.70%02%0.023CC..THydrogen-bonded Turntrans-71.6-18.6177.659.6158.2000113.7N270 I271 G272 T276 N283 W305 C309 I312 M316 L546 S549 F550N270-I274 PolarHBondContact O-N 3.38Å; I271-I274 WeakPolarHBondContact O-CG1 3.47Å; G272-I274 PolarHBondContact O-N 3.26Å; I274-T276 PolarHBondContact O-N 3Å; I274-N283 PolarHBondContact O-ND2 2.98Å; I274-N283 VanDerWaalsContact O-ND2 3.16Å; I274-W305 PolarHBondContact O-NE1 3.38Å; I274-C309 WeakPolarHBondContact O-CB 3.25Å; I274-I312 HydrophobicContact CD1-CG2 4.03Å; I274-M316 HydrophobicContact CD1-SD 4.01Å; I274-L546 HydrophobicContact CB-CD2 4.04Å; I274-L546 HydrophobicContact CG2-CD2 4.39Å; I274-S549 VanDerWaalsContact CG2-CB 3.46Å; I274-F550 HydrophobicContact CD1-CE1 4.37Å
275T95.6Very high92.2Very high0 Ų03.8 Ų3.80%02%0.024CC..SBendtrans-67.4-37.7-168.7-52.80000113.6M138 G272 G273 L306 L310 S313M138-T275 HydrophobicContact CE-CG2 3.77Å; M138-T275 HydrophobicContact CG-CG2 4.13Å; M138-T275 HydrophobicContact SD-CG2 3.71Å; G272-T275 WeakPolarHBondContact O-CB 3.25Å; G272-T275 PolarHBondContact O-N 3.37Å; G272-T275 PolarHBondContact O-OG1 3.14Å; G273-T275 VanDerWaalsContact C-N 3.25Å; G273-T275 PolarHBondContact O-N 3.47Å; T275-L306 HydrophobicContact CG2-CD1 3.75Å; T275-L310 HydrophobicContact CG2-CB 4Å; T275-L310 HydrophobicContact CG2-CD1 3.61Å; T275-L310 HydrophobicContact CG2-CG 4.44Å; T275-S313 WeakPolarHBondContact OG1-CB 3.5Å; T275-S313 PolarHBondContact OG1-OG 2.89Å
276T91.8Very high92Very high0 Ų03.8 Ų3.80%02%0.024CC..SBendtrans-120.5158.8-176.9700000109.1M138 W139 I274 G279 N283 F302 L306M138-T276 HydrophobicContact CB-CG2 3.95Å; M138-T276 WeakPolarHBondContact O-CB 3.43Å; M138-T276 WeakPolarHBondContact O-CG2 3.3Å; M138-T276 PolarHBondContact O-OG1 3.37Å; W139-T276 HydrophobicContact CE3-CG2 4.42Å; W139-T276 HydrophobicContact CH2-CG2 4.04Å; W139-T276 HydrophobicContact CZ2-CG2 4.34Å; W139-T276 HydrophobicContact CZ3-CG2 4.08Å; I274-T276 PolarHBondContact O-N 3Å; T276-G279 PolarHBondContact O-N 2.9Å; T276-G279 PolarHBondContact OG1-N 2.92Å; T276-G279 VanDerWaalsContact OG1-N 3.11Å; T276-N283 PolarHBondContact O-ND2 2.85Å; T276-F302 HydrophobicContact CG2-CE2 4.49Å; T276-F302 HydrophobicContact CG2-CZ 4.33Å; T276-L306 HydrophobicContact CG2-CD1 4.11Å
277L87.1Confident91.6Very high5 Ų54.5 Ų4.53%0.0263%0.029CC..THydrogen-bonded Turntrans-54.5-51.6171.7-78.5164.5000112.9G279 N283 L284 F302 W305L277-G279 VanDerWaalsContact C-N 3.29Å; L277-G279 PolarHBondContact O-N 3.25Å; L277-N283 WeakPolarHBondContact O-CB 3.33Å; L277-L284 HydrophobicContact CB-CD2 4.46Å; L277-L284 VanDerWaalsContact O-CD2 3.31Å; L277-L284 WeakPolarHBondContact O-CD2 3.45Å; L277-L284 VanDerWaalsContact O-CG 3.31Å; L277-L284 WeakPolarHBondContact O-CG 3.41Å; L277-F302 HydrophobicContact CB-CD2 4.5Å; L277-F302 HydrophobicContact CD1-CB 4.23Å; L277-F302 HydrophobicContact CD1-CD2 4.45Å; L277-W305 HydrophobicContact CD1-CB 4.26Å; L277-W305 HydrophobicContact CD2-CB 4.48Å; L277-W305 HydrophobicContact CD2-CD2 3.97Å; L277-W305 HydrophobicContact CD2-CE3 4.39Å; L277-W305 HydrophobicContact CD2-CG 4.01Å; L277-W305 HydrophobicContact CG-CB 4Å; L277-W305 HydrophobicContact CG-CD2 4.25Å; L277-W305 HydrophobicContact CG-CG 3.75Å
278P84.6Confident90.8Very high20 Ų205 Ų513%0.133%0.031CC..THydrogen-bonded Turntrans-72.4-14.8-178.427.2-36.4000115.6V94 T280 F302V94-P278 HydrophobicContact CB-CB 4.35Å; V94-P278 HydrophobicContact CG1-CB 3.49Å; V94-P278 VanDerWaalsContact CG1-CB 3.49Å; V94-P278 HydrophobicContact CG1-CG 4.29Å; V94-P278 HydrophobicContact CG2-CB 4.04Å; V94-P278 HydrophobicContact CG2-CG 4.44Å; P278-T280 VanDerWaalsContact C-N 3.27Å; P278-T280 PolarHBondContact O-N 2.96Å; P278-F302 HydrophobicContact CG-CE2 4.47Å
279G86.8Confident90.3Very high1 Ų15.4 Ų5.41%0.013%0.033CC..THydrogen-bonded Turntrans-61.6-33.4-171.900000113.7N142 G273 T276 L277N142-G279 PolarHBondContact OD1-O 3.43Å; G273-G279 CarbonylContact O-C 3.24Å; G273-G279 WeakPolarHBondContact O-CA 3.32Å; T276-G279 PolarHBondContact O-N 2.9Å; T276-G279 PolarHBondContact OG1-N 2.92Å; T276-G279 VanDerWaalsContact OG1-N 3.11Å; L277-G279 VanDerWaalsContact C-N 3.29Å; L277-G279 PolarHBondContact O-N 3.25Å
280T89.8Confident89.9Confident11 Ų115.5 Ų5.57%0.0673%0.033CC..SBendtrans-145.1151.6178.8-165.90000113.4G273 P278 P282 N283G273-T280 WeakPolarHBondContact O-CG2 3.38Å; G273-T280 PolarHBondContact O-N 2.94Å; P278-T280 VanDerWaalsContact C-N 3.27Å; P278-T280 PolarHBondContact O-N 2.96Å; T280-P282 WeakPolarHBondContact OG1-CD 3.16Å; T280-N283 HydrophobicContact CG2-CB 4.16Å; T280-N283 VanDerWaalsContact CG2-CG 3.47Å; T280-N283 PolarHBondContact O-N 3.37Å
281S86.3Confident89.2Confident27 Ų278.6 Ų8.619%0.1895%0.05CC..Hα-helixtrans-61.3-35.6-176.653.10000114.3N283 L284 I285S281-N283 VanDerWaalsContact C-N 3.35Å; S281-N283 PolarHBondContact O-N 3.48Å; S281-L284 PolarHBondContact O-N 3.21Å; S281-I285 WeakPolarHBondContact O-CD1 3.43Å; S281-I285 VanDerWaalsContact O-CG1 3.28Å; S281-I285 WeakPolarHBondContact O-CG1 3.31Å; S281-I285 PolarHBondContact O-N 2.69Å
282P91.9Very high88.3Confident0 Ų09.7 Ų9.70%06%0.055CC..Hα-helixtrans-62.4-38.3177.5-25.236.5000114.7T280 L284 I285 F286 N515 I519 T545 T548T280-P282 WeakPolarHBondContact OG1-CD 3.16Å; P282-L284 VanDerWaalsContact C-N 3.3Å; P282-L284 PolarHBondContact O-N 3.48Å; P282-I285 PolarHBondContact O-N 2.88Å; P282-F286 WeakPolarHBondContact O-CB 3.29Å; P282-F286 PolarHBondContact O-N 2.93Å; P282-N515 HydrophobicContact CG-CB 3.71Å; P282-I519 HydrophobicContact CB-CB 4.24Å; P282-I519 HydrophobicContact CB-CG1 4.46Å; P282-I519 HydrophobicContact CB-CG2 4Å; P282-T545 HydrophobicContact CB-CG2 4.29Å; P282-T548 WeakPolarHBondContact CB-OG1 3.45Å; P282-T548 WeakPolarHBondContact CG-OG1 3.2Å
283N91.9Very high87.6Confident0 Ų011 Ų110%06%0.061CC..Hα-helixtrans-61.7-43.3178.3-66.11.8000111G273 I274 T276 L277 T280 S281 F286 S287 W305G273-N283 PolarHBondContact O-ND2 3.12Å; I274-N283 PolarHBondContact O-ND2 2.98Å; I274-N283 VanDerWaalsContact O-ND2 3.16Å; T276-N283 PolarHBondContact O-ND2 2.85Å; L277-N283 WeakPolarHBondContact O-CB 3.33Å; T280-N283 HydrophobicContact CG2-CB 4.16Å; T280-N283 VanDerWaalsContact CG2-CG 3.47Å; T280-N283 PolarHBondContact O-N 3.37Å; S281-N283 VanDerWaalsContact C-N 3.35Å; S281-N283 PolarHBondContact O-N 3.48Å; N283-F286 PolarHBondContact O-N 3.05Å; N283-S287 WeakPolarHBondContact O-CB 3.37Å; N283-S287 PolarHBondContact O-N 3.41Å; N283-W305 HydrophobicContact CB-CZ2 3.87Å; N283-W305 PolarHBondContact ND2-NE1 3.3Å; N283-W305 WeakPolarHBondContact OD1-CZ2 3.24Å
284L84.8Confident87.2Confident10 Ų1011 Ų115%0.0526%0.062CC..Hα-helixtrans-63.8-45.8176.4-71.1178.3000112.3F87 L90 L91 L277 S281 P282 F286 S287 E288F87-L284 HydrophobicContact CD2-CB 4.31Å; F87-L284 HydrophobicContact CD2-CD2 4.44Å; F87-L284 HydrophobicContact CE2-CB 3.52Å; F87-L284 HydrophobicContact CE2-CD1 3.83Å; F87-L284 HydrophobicContact CE2-CD2 3.88Å; F87-L284 HydrophobicContact CE2-CG 3.9Å; F87-L284 HydrophobicContact CZ-CB 4.11Å; F87-L284 HydrophobicContact CZ-CD1 4.2Å; L90-L284 HydrophobicContact CD2-CD2 4.41Å; L91-L284 HydrophobicContact CD1-CD1 4.27Å; L277-L284 HydrophobicContact CB-CD2 4.46Å; L277-L284 VanDerWaalsContact O-CD2 3.31Å; L277-L284 WeakPolarHBondContact O-CD2 3.45Å; L277-L284 VanDerWaalsContact O-CG 3.31Å; L277-L284 WeakPolarHBondContact O-CG 3.41Å; S281-L284 PolarHBondContact O-N 3.21Å; P282-L284 VanDerWaalsContact C-N 3.3Å; P282-L284 PolarHBondContact O-N 3.48Å; L284-F286 VanDerWaalsContact C-N 3.33Å; L284-F286 PolarHBondContact O-N 3.27Å; L284-S287 PolarHBondContact O-N 3.36Å; L284-E288 PolarHBondContact O-N 2.97Å
285I86.7Confident86.3Confident3 Ų315.4 Ų15.42%0.0159%0.09CC..Hα-helixtrans-60.5-45.6177-67.3161.7000110.4S281 P282 Y289 V464 A516 I519 L523S281-I285 WeakPolarHBondContact O-CD1 3.43Å; S281-I285 VanDerWaalsContact O-CG1 3.28Å; S281-I285 WeakPolarHBondContact O-CG1 3.31Å; S281-I285 PolarHBondContact O-N 2.69Å; P282-I285 PolarHBondContact O-N 2.88Å; I285-Y289 VanDerWaalsContact O-CB 3.23Å; I285-Y289 WeakPolarHBondContact O-CB 3.38Å; I285-Y289 PolarHBondContact O-N 3.37Å; I285-V464 HydrophobicContact CD1-CG2 4.12Å; I285-V464 HydrophobicContact CG1-CB 4.32Å; I285-V464 HydrophobicContact CG1-CG1 4.41Å; I285-V464 HydrophobicContact CG1-CG2 3.42Å; I285-V464 VanDerWaalsContact CG1-CG2 3.42Å; I285-A516 HydrophobicContact CD1-CB 3.8Å; I285-A516 WeakPolarHBondContact CD1-O 3.49Å; I285-I519 HydrophobicContact CB-CG2 3.88Å; I285-I519 HydrophobicContact CD1-CG2 3.55Å; I285-I519 HydrophobicContact CG1-CG2 4.3Å; I285-I519 HydrophobicContact CG2-CG2 3.8Å; I285-L523 HydrophobicContact CG2-CD1 4.02Å
286F91.2Very high85.5Confident0 Ų022.6 Ų22.60%012%0.124CC..Hα-helixtrans-60.9-49.1178.2163.2-96.3000113P282 N283 L284 E288 Y289 L290 I300 W305 L523 L538 L541 I542 T545P282-F286 WeakPolarHBondContact O-CB 3.29Å; P282-F286 PolarHBondContact O-N 2.93Å; N283-F286 PolarHBondContact O-N 3.05Å; L284-F286 VanDerWaalsContact C-N 3.33Å; L284-F286 PolarHBondContact O-N 3.27Å; F286-E288 VanDerWaalsContact C-N 3.27Å; F286-E288 PolarHBondContact O-N 2.88Å; F286-Y289 PolarHBondContact O-N 3.35Å; F286-L290 HydrophobicContact CD1-CD1 4.4Å; F286-L290 HydrophobicContact CD2-CD1 4.43Å; F286-L290 HydrophobicContact CD2-CG 4.33Å; F286-L290 HydrophobicContact CE1-CD1 3.57Å; F286-L290 HydrophobicContact CE1-CG 4.38Å; F286-L290 HydrophobicContact CE2-CD1 3.64Å; F286-L290 HydrophobicContact CE2-CD2 4.29Å; F286-L290 HydrophobicContact CE2-CG 3.83Å; F286-L290 HydrophobicContact CZ-CD1 3.17Å; F286-L290 HydrophobicContact CZ-CG 3.91Å; F286-L290 PolarHBondContact O-N 2.81Å; F286-I300 HydrophobicContact CE1-CD1 4.47Å; F286-I300 HydrophobicContact CE1-CG1 4.4Å; F286-I300 HydrophobicContact CE1-CG2 4.17Å; F286-W305 HydrophobicContact CD1-CE3 4.34Å; F286-W305 AromaticContact CD1-CH2 3.89Å; F286-W305 HydrophobicContact CD1-CH2 3.89Å; F286-W305 AromaticContact CD1-CZ3 3.51Å; F286-W305 HydrophobicContact CD1-CZ3 3.51Å; F286-W305 AromaticContact CE1-CE3 3.99Å; F286-W305 HydrophobicContact CE1-CE3 3.99Å; F286-W305 HydrophobicContact CE1-CH2 4.05Å; F286-W305 AromaticContact CE1-CZ3 3.26Å; F286-W305 HydrophobicContact CE1-CZ3 3.26Å; F286-W305 HydrophobicContact CZ-CZ3 4.17Å; F286-L523 HydrophobicContact CB-CD1 4.28Å; F286-L523 HydrophobicContact CD2-CD2 4.03Å; F286-L538 HydrophobicContact CZ-CD2 4.26Å; F286-L541 HydrophobicContact CD2-CB 4.17Å; F286-L541 HydrophobicContact CE2-CB 3.6Å; F286-I542 HydrophobicContact CE1-CG1 4.3Å; F286-I542 HydrophobicContact CE2-CG1 4.25Å; F286-I542 HydrophobicContact CZ-CG1 3.57Å; F286-T545 HydrophobicContact CB-CG2 3.48Å; F286-T545 VanDerWaalsContact CB-CG2 3.48Å; F286-T545 HydrophobicContact CD1-CG2 4.49Å; F286-T545 HydrophobicContact CD2-CG2 4.47Å; F286-T545 VanDerWaalsContact CD2-OG1 3.23Å; F286-T545 WeakPolarHBondContact CD2-OG1 3.23Å; F286-T545 HydrophobicContact CG-CG2 3.91Å; F286-T545 WeakPolarHBondContact CG-OG1 3.41Å
287S85.9Confident84.9Confident15 Ų1522.8 Ų22.811%0.10513%0.125CC..Hα-helixtrans-59.3-40.8-177.2-1770000111.9N283 L284 N291N283-S287 WeakPolarHBondContact O-CB 3.37Å; N283-S287 PolarHBondContact O-N 3.41Å; L284-S287 PolarHBondContact O-N 3.36Å; S287-N291 VanDerWaalsContact O-CG 3.29Å; S287-N291 PolarHBondContact O-N 2.97Å; S287-N291 PolarHBondContact O-ND2 3.31Å
288E80.6Confident84.2Confident11 Ų1128.7 Ų28.75%0.05116%0.156CC..Hα-helixtrans-80.8-33.6-179.8177.664.1-153.600112.2K85 F87 L284 F286 L290 N291 Q292 F468K85-E288 WeakPolarHBondContact CB-OE1 3.26Å; F87-E288 HydrophobicContact CB-CB 3.96Å; F87-E288 HydrophobicContact CB-CG 3.72Å; F87-E288 WeakPolarHBondContact CB-OE2 3.19Å; F87-E288 HydrophobicContact CG-CB 4.39Å; F87-E288 HydrophobicContact CG-CG 4.43Å; F87-E288 PolarHBondContact N-OE2 2.94Å; L284-E288 PolarHBondContact O-N 2.97Å; F286-E288 VanDerWaalsContact C-N 3.27Å; F286-E288 PolarHBondContact O-N 2.88Å; E288-L290 VanDerWaalsContact C-N 3.27Å; E288-L290 PolarHBondContact O-N 3.1Å; E288-N291 PolarHBondContact O-N 3.26Å; E288-Q292 WeakPolarHBondContact O-CG 3.44Å; E288-Q292 PolarHBondContact O-N 3.37Å; E288-Q292 PolarHBondContact OE1-NE2 3.48Å; E288-F468 HydrophobicContact CB-CE1 3.88Å; E288-F468 HydrophobicContact CB-CE2 4.09Å; E288-F468 HydrophobicContact CB-CZ 3.35Å; E288-F468 HydrophobicContact CG-CD1 4.37Å; E288-F468 HydrophobicContact CG-CD2 4.09Å; E288-F468 HydrophobicContact CG-CE1 3.57Å; E288-F468 HydrophobicContact CG-CE2 3.15Å; E288-F468 HydrophobicContact CG-CZ 2.89Å
289Y85.4Confident83.6Confident9 Ų929.6 Ų29.64%0.03516%0.163CC..Hα-helixtrans-55.7-44.6169.5177.1-88.8000111.1I285 F286 Q292 I293 A471 L523 P524 S527 L541I285-Y289 VanDerWaalsContact O-CB 3.23Å; I285-Y289 WeakPolarHBondContact O-CB 3.38Å; I285-Y289 PolarHBondContact O-N 3.37Å; F286-Y289 PolarHBondContact O-N 3.35Å; Y289-Q292 PolarHBondContact O-N 3.48Å; Y289-I293 HydrophobicContact CD1-CG1 4.39Å; Y289-I293 HydrophobicContact CD2-CG1 4.26Å; Y289-I293 HydrophobicContact CE1-CB 4.3Å; Y289-I293 HydrophobicContact CE1-CG1 3.93Å; Y289-I293 HydrophobicContact CE2-CG1 3.8Å; Y289-I293 PolarHBondContact O-N 3.03Å; Y289-A471 HydrophobicContact CD2-CB 3.98Å; Y289-A471 HydrophobicContact CE2-CB 3.59Å; Y289-L523 HydrophobicContact CD1-CB 3.91Å; Y289-L523 HydrophobicContact CD1-CD1 4.11Å; Y289-L523 HydrophobicContact CD1-CD2 4.48Å; Y289-L523 HydrophobicContact CD1-CG 4.4Å; Y289-L523 HydrophobicContact CD2-CB 3.86Å; Y289-L523 HydrophobicContact CD2-CD1 4.28Å; Y289-L523 HydrophobicContact CE1-CB 3.93Å; Y289-L523 HydrophobicContact CE2-CB 3.87Å; Y289-L523 HydrophobicContact CG-CB 3.89Å; Y289-L523 HydrophobicContact CG-CD1 3.76Å; Y289-L523 HydrophobicContact CG-CG 4.39Å; Y289-L523 PolarHBondContact OH-O 2.95Å; Y289-P524 HydrophobicContact CE2-CB 4.45Å; Y289-P524 HydrophobicContact CE2-CG 3.97Å; Y289-P524 WeakPolarHBondContact OH-CA 3.5Å; Y289-S527 WeakPolarHBondContact OH-CB 3.14Å; Y289-L541 HydrophobicContact CE1-CD1 4.39Å
290L87.4Confident83.4Confident2 Ų230.2 Ų30.21%0.0117%0.166CC..Hα-helixtrans-61.7-45.6174.5-77.8-175.6000112.5F286 E288 Q292 I293 Y294 I300 L538 L541F286-L290 HydrophobicContact CD1-CD1 4.4Å; F286-L290 HydrophobicContact CD2-CD1 4.43Å; F286-L290 HydrophobicContact CD2-CG 4.33Å; F286-L290 HydrophobicContact CE1-CD1 3.57Å; F286-L290 HydrophobicContact CE1-CG 4.38Å; F286-L290 HydrophobicContact CE2-CD1 3.64Å; F286-L290 HydrophobicContact CE2-CD2 4.29Å; F286-L290 HydrophobicContact CE2-CG 3.83Å; F286-L290 HydrophobicContact CZ-CD1 3.17Å; F286-L290 HydrophobicContact CZ-CG 3.91Å; F286-L290 PolarHBondContact O-N 2.81Å; E288-L290 VanDerWaalsContact C-N 3.27Å; E288-L290 PolarHBondContact O-N 3.1Å; L290-Q292 PolarHBondContact O-N 2.88Å; L290-I293 PolarHBondContact O-N 3.3Å; L290-Y294 HydrophobicContact CD2-CD2 3.56Å; L290-Y294 HydrophobicContact CD2-CE2 3.99Å; L290-Y294 CarbonylContact O-C 3.52Å; L290-Y294 VanDerWaalsContact O-C 3.24Å; L290-Y294 VanDerWaalsContact O-CA 3.27Å; L290-Y294 WeakPolarHBondContact O-CA 3.39Å; L290-Y294 WeakPolarHBondContact O-CB 3.49Å; L290-Y294 PolarHBondContact O-N 3.38Å; L290-I300 HydrophobicContact CD1-CB 4.22Å; L290-I300 HydrophobicContact CD1-CG1 3.64Å; L290-L538 HydrophobicContact CD1-CD2 3.44Å; L290-L538 VanDerWaalsContact CD1-CD2 3.44Å; L290-L538 HydrophobicContact CD2-CD2 3.83Å; L290-L538 HydrophobicContact CG-CD2 4.3Å; L290-L541 HydrophobicContact CD2-CD1 3.96Å
291N80.8Confident83.1Confident65 Ų6530 Ų3035%0.34816%0.164SC..Hα-helixtrans-59.9-28.5179-70.7-22.2000112.7S287 E288 P295S287-N291 VanDerWaalsContact O-CG 3.29Å; S287-N291 PolarHBondContact O-N 2.97Å; S287-N291 PolarHBondContact O-ND2 3.31Å; E288-N291 PolarHBondContact O-N 3.26Å; N291-P295 WeakPolarHBondContact O-CA 3.41Å
292Q78.5Confident83Confident25 Ų2528.8 Ų28.812%0.11716%0.156CC..Hα-helixtrans-84.7-47.8179.4-71.3177.91200113.2E288 Y289 L290 F468E288-Q292 WeakPolarHBondContact O-CG 3.44Å; E288-Q292 PolarHBondContact O-N 3.37Å; E288-Q292 PolarHBondContact OE1-NE2 3.48Å; Y289-Q292 PolarHBondContact O-N 3.48Å; L290-Q292 PolarHBondContact O-N 2.88Å; Q292-F468 VanDerWaalsContact OE1-CD1 3.29Å; Q292-F468 VanDerWaalsContact OE1-CG 3.23Å
293I82.1Confident82.8Confident26 Ų2629.1 Ų29.113%0.13316%0.159CC..Hα-helixtrans-79.6-33.2-176.2-61.5-57.4000111.3Y289 L290 P295 A471Y289-I293 HydrophobicContact CD1-CG1 4.39Å; Y289-I293 HydrophobicContact CD2-CG1 4.26Å; Y289-I293 HydrophobicContact CE1-CB 4.3Å; Y289-I293 HydrophobicContact CE1-CG1 3.93Å; Y289-I293 HydrophobicContact CE2-CG1 3.8Å; Y289-I293 PolarHBondContact O-N 3.03Å; L290-I293 PolarHBondContact O-N 3.3Å; I293-P295 WeakPolarHBondContact O-CD 3.47Å; I293-A471 HydrophobicContact CD1-CB 4.23Å
294Y85.9Confident82.6Confident2 Ų230 Ų301%0.00816%0.164CC..  trans-127.966.8-177.6-54.1-73.4000111.3L290 E296 C297 S527 E531 P537 L541 W610 A611 P612L290-Y294 HydrophobicContact CD2-CD2 3.56Å; L290-Y294 HydrophobicContact CD2-CE2 3.99Å; L290-Y294 CarbonylContact O-C 3.52Å; L290-Y294 VanDerWaalsContact O-C 3.24Å; L290-Y294 VanDerWaalsContact O-CA 3.27Å; L290-Y294 WeakPolarHBondContact O-CA 3.39Å; L290-Y294 WeakPolarHBondContact O-CB 3.49Å; L290-Y294 PolarHBondContact O-N 3.38Å; Y294-E296 PolarHBondContact O-N 2.6Å; Y294-E296 VanDerWaalsContact O-N 3.12Å; Y294-C297 WeakPolarHBondContact O-CB 3.39Å; Y294-C297 PolarHBondContact O-N 2.9Å; Y294-S527 WeakPolarHBondContact CE2-OG 3.25Å; Y294-S527 VanDerWaalsContact CZ-OG 3.28Å; Y294-S527 PolarHBondContact OH-OG 3.48Å; Y294-E531 PolarHBondContact OH-OE1 2.94Å; Y294-P537 HydrophobicContact CE1-CG 4.04Å; Y294-P537 HydrophobicContact CE2-CB 4.01Å; Y294-P537 HydrophobicContact CE2-CG 4.38Å; Y294-P537 VanDerWaalsContact OH-CB 3.27Å; Y294-P537 WeakPolarHBondContact OH-CB 3.2Å; Y294-P537 WeakPolarHBondContact OH-CG 3.36Å; Y294-L541 HydrophobicContact CE2-CD1 4.32Å; Y294-W610 AromaticContact CD1-CE3 3.48Å; Y294-W610 HydrophobicContact CD1-CE3 3.48Å; Y294-W610 VanDerWaalsContact CD1-CE3 3.48Å; Y294-W610 AromaticContact CD1-CZ3 3.3Å; Y294-W610 HydrophobicContact CD1-CZ3 3.3Å; Y294-W610 HydrophobicContact CD2-CZ3 4.05Å; Y294-W610 HydrophobicContact CE1-CE3 4.15Å; Y294-W610 AromaticContact CE1-CZ3 3.67Å; Y294-W610 HydrophobicContact CE1-CZ3 3.67Å; Y294-W610 HydrophobicContact CE2-CZ3 4.4Å; Y294-W610 AromaticContact CG-CE3 3.8Å; Y294-W610 HydrophobicContact CG-CE3 3.8Å; Y294-W610 AromaticContact CG-CZ3 3.46Å; Y294-W610 HydrophobicContact CG-CZ3 3.46Å; Y294-W610 VanDerWaalsContact CG-CZ3 3.46Å; Y294-A611 HydrophobicContact CE1-CB 4.24Å; Y294-P612 HydrophobicContact CE1-CG 4.46Å
295P77.3Confident83Confident91 Ų9129.6 Ų29.659%0.59116%0.161SC*.THydrogen-bonded Turntrans-63.2-22.1-174.225.7-35.3000114N291 I293 C297N291-P295 WeakPolarHBondContact O-CA 3.41Å; I293-P295 WeakPolarHBondContact O-CD 3.47Å; P295-C297 VanDerWaalsContact C-N 3.33Å
296E78.6Confident83.3Confident152 Ų15230.7 Ų30.771%0.7117%0.167SC*.THydrogen-bonded Turntrans-84-8.5175.9-56.8-156.3161.600113.2Y294 N298 W610Y294-E296 PolarHBondContact O-N 2.6Å; Y294-E296 VanDerWaalsContact O-N 3.12Å; E296-N298 PolarHBondContact O-N 2.78Å; E296-W610 HydrophobicContact CB-CB 3.93Å
297C80.6Confident83.3Confident4 Ų435.7 Ų35.73%0.02719%0.193CC..  trans-78.287.4176.9-171.30000111.1Y294 P295 C299 W610Y294-C297 WeakPolarHBondContact O-CB 3.39Å; Y294-C297 PolarHBondContact O-N 2.9Å; P295-C297 VanDerWaalsContact C-N 3.33Å; C297-C299 PolarHBondContact O-N 3.41Å; C297-W610 HydrophobicContact CB-CD2 3.84Å; C297-W610 HydrophobicContact CB-CE3 4.02Å; C297-W610 HydrophobicContact CB-CG 4.31Å; C297-W610 HydrophobicContact CB-CH2 4.44Å; C297-W610 HydrophobicContact CB-CZ2 4.23Å; C297-W610 HydrophobicContact CB-CZ3 4.33Å; C297-W610 WeakPolarHBondContact SG-CZ2 3.39Å
298N71.3Confident83.6Confident128 Ų12835 Ų3568%0.68419%0.188SC*.THydrogen-bonded Turntrans-84.313.5172.9-72.2-51.4000113.7E296E296-N298 PolarHBondContact O-N 2.78Å
299C72.7Confident84.4Confident39 Ų3934.4 Ų34.426%0.26419%0.186SC..THydrogen-bonded Turntrans-75-30.4-172.5-52.50000112.6C297 N304 L538 F602C297-C299 PolarHBondContact O-N 3.41Å; C299-N304 WeakPolarHBondContact O-CB 3.2Å; C299-N304 PolarHBondContact O-ND2 3.15Å; C299-L538 HydrophobicContact CB-CD1 4.31Å; C299-F602 HydrophobicContact CB-CD1 4.23Å
300I82.4Confident84.9Confident14 Ų1437.4 Ų37.47%0.07220%0.202CC..  trans-99.395.4-178.3-58.1-68.6000109.5F286 L290 W305 L538 I542 F602F286-I300 HydrophobicContact CE1-CD1 4.47Å; F286-I300 HydrophobicContact CE1-CG1 4.4Å; F286-I300 HydrophobicContact CE1-CG2 4.17Å; L290-I300 HydrophobicContact CD1-CB 4.22Å; L290-I300 HydrophobicContact CD1-CG1 3.64Å; I300-W305 HydrophobicContact CG2-CE3 4.17Å; I300-L538 HydrophobicContact CG1-CD1 4.48Å; I300-L538 HydrophobicContact CG1-CD2 4.19Å; I300-I542 HydrophobicContact CD1-CD1 4.05Å; I300-F602 HydrophobicContact CD1-CD1 3.94Å; I300-F602 HydrophobicContact CD1-CE1 3.35Å; I300-F602 HydrophobicContact CD1-CE2 4.46Å; I300-F602 HydrophobicContact CD1-CZ 3.66Å; I300-F602 HydrophobicContact CG1-CE1 4.49Å
301N83.8Confident85.3Confident7 Ų739.7 Ų39.74%0.03722%0.217CC..  trans-115.9172166.962.151.1000109.7G303 N304 W305 S387N301-G303 PolarHBondContact O-N 3.44Å; N301-G303 WeakPolarHBondContact OD1-CA 3.47Å; N301-G303 PolarHBondContact OD1-N 3.42Å; N301-N304 PolarHBondContact ND2-ND2 2.92Å; N301-N304 PolarHBondContact O-N 3.22Å; N301-N304 PolarHBondContact OD1-N 2.93Å; N301-W305 WeakPolarHBondContact O-CB 3.46Å; N301-W305 PolarHBondContact O-N 2.99Å; N301-S387 PolarHBondContact ND2-O 3.41Å; N301-S387 PolarHBondContact ND2-OG 3.44Å
302F83.8Confident86.1Confident2 Ų236.6 Ų36.61%0.00920%0.2CC..Hα-helixtrans-52.2-42.1178.6-178.7-86.8000113.5W139 T276 L277 P278 L306 W383 D407W139-F302 HydrophobicContact CH2-CZ 4.06Å; W139-F302 HydrophobicContact CZ3-CE2 4.4Å; W139-F302 AromaticContact CZ3-CZ 3.85Å; W139-F302 HydrophobicContact CZ3-CZ 3.85Å; T276-F302 HydrophobicContact CG2-CE2 4.49Å; T276-F302 HydrophobicContact CG2-CZ 4.33Å; L277-F302 HydrophobicContact CB-CD2 4.5Å; L277-F302 HydrophobicContact CD1-CB 4.23Å; L277-F302 HydrophobicContact CD1-CD2 4.45Å; P278-F302 HydrophobicContact CG-CE2 4.47Å; F302-L306 HydrophobicContact CE1-CD2 4.19Å; F302-L306 WeakPolarHBondContact O-CB 3.41Å; F302-L306 PolarHBondContact O-N 3.34Å; F302-W383 HydrophobicContact CB-CB 3.91Å; F302-W383 HydrophobicContact CB-CD2 4.2Å; F302-W383 HydrophobicContact CB-CE3 4.47Å; F302-W383 HydrophobicContact CB-CG 4Å; F302-W383 HydrophobicContact CD1-CB 3.53Å; F302-W383 HydrophobicContact CD1-CD2 4.08Å; F302-W383 AromaticContact CD1-CE3 3.69Å; F302-W383 HydrophobicContact CD1-CE3 3.69Å; F302-W383 HydrophobicContact CD1-CG 4.1Å; F302-W383 AromaticContact CD2-CD2 3.87Å; F302-W383 HydrophobicContact CD2-CD2 3.87Å; F302-W383 AromaticContact CD2-CE3 3.38Å; F302-W383 HydrophobicContact CD2-CE3 3.38Å; F302-W383 HydrophobicContact CD2-CH2 4.17Å; F302-W383 AromaticContact CD2-CZ3 3.56Å; F302-W383 HydrophobicContact CD2-CZ3 3.56Å; F302-W383 HydrophobicContact CE1-CB 4.29Å; F302-W383 HydrophobicContact CE1-CD2 4.48Å; F302-W383 AromaticContact CE1-CE3 3.66Å; F302-W383 HydrophobicContact CE1-CE3 3.66Å; F302-W383 HydrophobicContact CE1-CZ3 4.33Å; F302-W383 HydrophobicContact CE2-CD2 4.29Å; F302-W383 AromaticContact CE2-CE3 3.35Å; F302-W383 HydrophobicContact CE2-CE3 3.35Å; F302-W383 HydrophobicContact CE2-CH2 4.12Å; F302-W383 AromaticContact CE2-CZ3 3.25Å; F302-W383 HydrophobicContact CE2-CZ3 3.25Å; F302-W383 HydrophobicContact CG-CB 3.82Å; F302-W383 AromaticContact CG-CD2 3.76Å; F302-W383 HydrophobicContact CG-CD2 3.76Å; F302-W383 AromaticContact CG-CE3 3.56Å; F302-W383 HydrophobicContact CG-CE3 3.56Å; F302-W383 AromaticContact CG-CG 3.94Å; F302-W383 HydrophobicContact CG-CG 3.94Å; F302-W383 HydrophobicContact CG-CZ3 4.23Å; F302-W383 AromaticContact CZ-CE3 3.5Å; F302-W383 HydrophobicContact CZ-CE3 3.5Å; F302-W383 VanDerWaalsContact CZ-CE3 3.5Å; F302-W383 AromaticContact CZ-CZ3 3.69Å; F302-W383 HydrophobicContact CZ-CZ3 3.69Å; F302-D407 PolarHBondContact N-OD2 3.37Å; F302-D407 VanDerWaalsContact N-OD2 3.12Å
303G86.6Confident87Confident6 Ų635.7 Ų35.76%0.06220%0.197CC..Hα-helixtrans-67.1-48.6-178.600000113.4N301 W305 L306 L307N301-G303 PolarHBondContact O-N 3.44Å; N301-G303 WeakPolarHBondContact OD1-CA 3.47Å; N301-G303 PolarHBondContact OD1-N 3.42Å; G303-W305 VanDerWaalsContact C-N 3.34Å; G303-W305 PolarHBondContact O-N 3.09Å; G303-L306 PolarHBondContact O-N 3.16Å; G303-L307 WeakPolarHBondContact O-CB 3.37Å; G303-L307 WeakPolarHBondContact O-CG 3.36Å; G303-L307 PolarHBondContact O-N 2.94Å
304N88.9Confident87.7Confident20 Ų2037.8 Ų37.811%0.10721%0.211CC..Hα-helixtrans-65.8-38.6178.6-68.5-11.2000111.3C299 N301 L307 M308 F602C299-N304 WeakPolarHBondContact O-CB 3.2Å; C299-N304 PolarHBondContact O-ND2 3.15Å; N301-N304 PolarHBondContact ND2-ND2 2.92Å; N301-N304 PolarHBondContact O-N 3.22Å; N301-N304 PolarHBondContact OD1-N 2.93Å; N304-L307 PolarHBondContact O-N 3.28Å; N304-M308 WeakPolarHBondContact O-CB 3.4Å; N304-M308 PolarHBondContact O-N 3.12Å; N304-F602 HydrophobicContact CB-CE1 3.87Å; N304-F602 HydrophobicContact CB-CZ 4.24Å
305W92Very high88.2Confident0 Ų040.2 Ų40.20%022%0.223CC..Hα-helixtrans-60.7-46.5173.4-174.6-87.5000111.7I274 L277 N283 F286 I300 N301 G303 M308 C309 T545 L546I274-W305 PolarHBondContact O-NE1 3.38Å; L277-W305 HydrophobicContact CD1-CB 4.26Å; L277-W305 HydrophobicContact CD2-CB 4.48Å; L277-W305 HydrophobicContact CD2-CD2 3.97Å; L277-W305 HydrophobicContact CD2-CE3 4.39Å; L277-W305 HydrophobicContact CD2-CG 4.01Å; L277-W305 HydrophobicContact CG-CB 4Å; L277-W305 HydrophobicContact CG-CD2 4.25Å; L277-W305 HydrophobicContact CG-CG 3.75Å; N283-W305 HydrophobicContact CB-CZ2 3.87Å; N283-W305 PolarHBondContact ND2-NE1 3.3Å; N283-W305 WeakPolarHBondContact OD1-CZ2 3.24Å; F286-W305 HydrophobicContact CD1-CE3 4.34Å; F286-W305 AromaticContact CD1-CH2 3.89Å; F286-W305 HydrophobicContact CD1-CH2 3.89Å; F286-W305 AromaticContact CD1-CZ3 3.51Å; F286-W305 HydrophobicContact CD1-CZ3 3.51Å; F286-W305 AromaticContact CE1-CE3 3.99Å; F286-W305 HydrophobicContact CE1-CE3 3.99Å; F286-W305 HydrophobicContact CE1-CH2 4.05Å; F286-W305 AromaticContact CE1-CZ3 3.26Å; F286-W305 HydrophobicContact CE1-CZ3 3.26Å; F286-W305 HydrophobicContact CZ-CZ3 4.17Å; I300-W305 HydrophobicContact CG2-CE3 4.17Å; N301-W305 WeakPolarHBondContact O-CB 3.46Å; N301-W305 PolarHBondContact O-N 2.99Å; G303-W305 VanDerWaalsContact C-N 3.34Å; G303-W305 PolarHBondContact O-N 3.09Å; W305-M308 PolarHBondContact O-N 3.01Å; W305-C309 VanDerWaalsContact CE2-SG 3.51Å; W305-C309 WeakPolarHBondContact O-CB 3.44Å; W305-C309 PolarHBondContact O-N 2.97Å; W305-C309 PolarHBondContact O-SG 3.03Å; W305-C309 VanDerWaalsContact O-SG 3.35Å; W305-T545 HydrophobicContact CH2-CG2 4.29Å; W305-L546 HydrophobicContact CH2-CD2 4.09Å; W305-L546 HydrophobicContact CZ2-CD2 3.77Å
306L92.8Very high89.1Confident26 Ų2635.9 Ų35.914%0.13620%0.195CC..Hα-helixtrans-62.3-44.3177.9-177.867.2000111.6T275 T276 F302 G303 M308 C309 L310 L384T275-L306 HydrophobicContact CG2-CD1 3.75Å; T276-L306 HydrophobicContact CG2-CD1 4.11Å; F302-L306 HydrophobicContact CE1-CD2 4.19Å; F302-L306 WeakPolarHBondContact O-CB 3.41Å; F302-L306 PolarHBondContact O-N 3.34Å; G303-L306 PolarHBondContact O-N 3.16Å; L306-M308 VanDerWaalsContact C-N 3.26Å; L306-M308 PolarHBondContact O-N 3.17Å; L306-C309 PolarHBondContact O-N 3.49Å; L306-L310 HydrophobicContact CD1-CB 4.12Å; L306-L310 HydrophobicContact CG-CB 4.48Å; L306-L310 WeakPolarHBondContact O-CB 3.49Å; L306-L310 PolarHBondContact O-N 2.81Å; L306-L384 HydrophobicContact CD2-CD2 4.15Å
307L92.1Very high90Very high105 Ų10529.7 Ų29.755%0.5517%0.166SC..Hα-helixtrans-61.3-35.5177.4-75172.3000112.1G303 N304 P311 L601G303-L307 WeakPolarHBondContact O-CB 3.37Å; G303-L307 WeakPolarHBondContact O-CG 3.36Å; G303-L307 PolarHBondContact O-N 2.94Å; N304-L307 PolarHBondContact O-N 3.28Å; L307-P311 WeakPolarHBondContact O-CD 3.16Å; L307-P311 WeakPolarHBondContact O-CG 3.32Å; L307-L601 HydrophobicContact CB-CD2 4.29Å
308M93.1Very high90.8Very high0 Ų033.1 Ų33.10%018%0.184CC..Hα-helixtrans-71.5-49.3175.2-176.858.7178.400112.2N304 W305 L306 I312 I542 A593 V594 W597 L601 F602N304-M308 WeakPolarHBondContact O-CB 3.4Å; N304-M308 PolarHBondContact O-N 3.12Å; W305-M308 PolarHBondContact O-N 3.01Å; L306-M308 VanDerWaalsContact C-N 3.26Å; L306-M308 PolarHBondContact O-N 3.17Å; M308-I312 HydrophobicContact CE-CD1 4.22Å; M308-I312 HydrophobicContact CG-CD1 4.45Å; M308-I312 WeakPolarHBondContact O-CD1 3.15Å; M308-I312 WeakPolarHBondContact O-CG1 3.35Å; M308-I542 HydrophobicContact CE-CG2 4.47Å; M308-A593 HydrophobicContact CE-CB 3.61Å; M308-A593 HydrophobicContact SD-CB 4.39Å; M308-V594 HydrophobicContact CE-CB 4.44Å; M308-V594 HydrophobicContact CE-CG2 3.61Å; M308-W597 PolarHBondContact O-NE1 2.61Å; M308-W597 PolarHBondContact SD-NE1 3.29Å; M308-L601 HydrophobicContact CB-CD2 3.85Å; M308-F602 HydrophobicContact CB-CE2 3.99Å; M308-F602 HydrophobicContact CB-CZ 4.19Å; M308-F602 HydrophobicContact CG-CE2 3.96Å; M308-F602 HydrophobicContact SD-CE2 4.19Å
309C96.4Very high92Very high0 Ų030.5 Ų30.50%017%0.17CC..Hα-helixtrans-92-24.9-164.9-60.50000114.1I274 W305 L306 I312 S313I274-C309 WeakPolarHBondContact O-CB 3.25Å; W305-C309 VanDerWaalsContact CE2-SG 3.51Å; W305-C309 WeakPolarHBondContact O-CB 3.44Å; W305-C309 PolarHBondContact O-N 2.97Å; W305-C309 PolarHBondContact O-SG 3.03Å; W305-C309 VanDerWaalsContact O-SG 3.35Å; L306-C309 PolarHBondContact O-N 3.49Å; C309-I312 WeakPolarHBondContact O-CB 3.47Å; C309-I312 PolarHBondContact O-N 2.87Å; C309-S313 WeakPolarHBondContact O-CB 3.4Å; C309-S313 PolarHBondContact O-N 3.46Å
310L95.6Very high93.1Very high72 Ų7228.7 Ų28.738%0.37716%0.157SC..Hα-helixtrans-61.1-48.7177.4-178.870.2000111.9M138 T275 L306 I312 S313 V314M138-L310 HydrophobicContact CE-CD1 4.12Å; T275-L310 HydrophobicContact CG2-CB 4Å; T275-L310 HydrophobicContact CG2-CD1 3.61Å; T275-L310 HydrophobicContact CG2-CG 4.44Å; L306-L310 HydrophobicContact CD1-CB 4.12Å; L306-L310 HydrophobicContact CG-CB 4.48Å; L306-L310 WeakPolarHBondContact O-CB 3.49Å; L306-L310 PolarHBondContact O-N 2.81Å; L310-I312 VanDerWaalsContact C-N 3.31Å; L310-I312 PolarHBondContact O-N 3.24Å; L310-S313 PolarHBondContact O-N 3.29Å; L310-S313 PolarHBondContact O-OG 3.31Å; L310-V314 WeakPolarHBondContact O-CG2 3.22Å; L310-V314 PolarHBondContact O-N 3.36Å
311P96.8Very high93.7Very high50 Ų5028.9 Ų28.933%0.32516%0.157SC..Hα-helixtrans-59-40.3174.2-23.935000113L307 V314 I315 W597L307-P311 WeakPolarHBondContact O-CD 3.16Å; L307-P311 WeakPolarHBondContact O-CG 3.32Å; P311-V314 PolarHBondContact O-N 3.46Å; P311-I315 WeakPolarHBondContact O-CB 3.43Å; P311-I315 WeakPolarHBondContact O-CD1 3.49Å; P311-I315 VanDerWaalsContact O-CG1 3.26Å; P311-I315 WeakPolarHBondContact O-CG1 3.4Å; P311-I315 PolarHBondContact O-N 3.41Å; P311-W597 HydrophobicContact CB-CH2 4.43Å; P311-W597 HydrophobicContact CB-CZ2 3.81Å
312I97Very high94.2Very high0 Ų032 Ų320%017%0.173CC..Hα-helixtrans-59-51.6176.8-58.9174.1000110I274 M308 C309 L310 V314 I315 M316 L546 A589 V590 A593 W597I274-I312 HydrophobicContact CD1-CG2 4.03Å; M308-I312 HydrophobicContact CE-CD1 4.22Å; M308-I312 HydrophobicContact CG-CD1 4.45Å; M308-I312 WeakPolarHBondContact O-CD1 3.15Å; M308-I312 WeakPolarHBondContact O-CG1 3.35Å; C309-I312 WeakPolarHBondContact O-CB 3.47Å; C309-I312 PolarHBondContact O-N 2.87Å; L310-I312 VanDerWaalsContact C-N 3.31Å; L310-I312 PolarHBondContact O-N 3.24Å; I312-V314 VanDerWaalsContact C-N 3.31Å; I312-V314 PolarHBondContact O-N 3.24Å; I312-I315 PolarHBondContact O-N 3.38Å; I312-M316 HydrophobicContact CG2-CG 4.25Å; I312-M316 HydrophobicContact CG2-SD 4.04Å; I312-M316 WeakPolarHBondContact O-CB 3.45Å; I312-M316 WeakPolarHBondContact O-CG 3.47Å; I312-M316 PolarHBondContact O-N 3.31Å; I312-L546 HydrophobicContact CD1-CD1 3.68Å; I312-A589 HydrophobicContact CG2-CB 4.32Å; I312-V590 HydrophobicContact CG2-CG2 4.04Å; I312-A593 HydrophobicContact CD1-CB 3.5Å; I312-A593 HydrophobicContact CG1-CB 3.56Å; I312-W597 HydrophobicContact CG1-CZ2 3.81Å
313S96.8Very high94.7Very high5 Ų535.1 Ų35.14%0.03519%0.185CC..Hα-helixtrans-60.2-40.1-178.8740000112.2I271 T275 C309 L310 L317I271-S313 VanDerWaalsContact CG2-O 3.27Å; I271-S313 WeakPolarHBondContact CG2-O 3.42Å; I271-S313 WeakPolarHBondContact O-CB 3.07Å; T275-S313 WeakPolarHBondContact OG1-CB 3.5Å; T275-S313 PolarHBondContact OG1-OG 2.89Å; C309-S313 WeakPolarHBondContact O-CB 3.4Å; C309-S313 PolarHBondContact O-N 3.46Å; L310-S313 PolarHBondContact O-N 3.29Å; L310-S313 PolarHBondContact O-OG 3.31Å; S313-L317 WeakPolarHBondContact O-CB 3.15Å; S313-L317 PolarHBondContact O-N 3.31Å
314V96.9Very high95.1Very high71 Ų7134.9 Ų34.943%0.4318%0.182SC..Hα-helixtrans-67.2-47178.4171.60000110.9L310 P311 I312 L317 L318L310-V314 WeakPolarHBondContact O-CG2 3.22Å; L310-V314 PolarHBondContact O-N 3.36Å; P311-V314 PolarHBondContact O-N 3.46Å; I312-V314 VanDerWaalsContact C-N 3.31Å; I312-V314 PolarHBondContact O-N 3.24Å; V314-L317 PolarHBondContact O-N 3.23Å; V314-L318 HydrophobicContact CG1-CD1 4.03Å; V314-L318 WeakPolarHBondContact O-CB 3.1Å; V314-L318 VanDerWaalsContact O-CG 3.31Å; V314-L318 WeakPolarHBondContact O-CG 3.38Å; V314-L318 PolarHBondContact O-N 2.98Å
315I97Very high95.1Very high53 Ų5334.6 Ų34.627%0.27218%0.18SC..Hα-helixtrans-59.4-49.7176.5-69.5165.4000109.8P311 I312 L317 L318 L319 A589 W597P311-I315 WeakPolarHBondContact O-CB 3.43Å; P311-I315 WeakPolarHBondContact O-CD1 3.49Å; P311-I315 VanDerWaalsContact O-CG1 3.26Å; P311-I315 WeakPolarHBondContact O-CG1 3.4Å; P311-I315 PolarHBondContact O-N 3.41Å; I312-I315 PolarHBondContact O-N 3.38Å; I315-L317 PolarHBondContact O-N 3.39Å; I315-L318 PolarHBondContact O-N 2.98Å; I315-L319 HydrophobicContact CG2-CD1 3.7Å; I315-L319 HydrophobicContact CG2-CG 4.3Å; I315-L319 WeakPolarHBondContact O-CB 3.34Å; I315-L319 VanDerWaalsContact O-CG 3.29Å; I315-L319 WeakPolarHBondContact O-CG 3.44Å; I315-L319 PolarHBondContact O-N 3.09Å; I315-A589 HydrophobicContact CG2-CB 4.17Å; I315-W597 HydrophobicContact CD1-CH2 3.78Å; I315-W597 HydrophobicContact CD1-CZ3 4.48Å
316M97Very high95Very high0 Ų041.3 Ų41.30%021%0.205CC..Hα-helixtrans-60.2-44.5178.4-76.1-168.269.500112.1I271 I274 I312 T320 F550 F552 A589I271-M316 HydrophobicContact CD1-CB 4.31Å; I271-M316 HydrophobicContact CG1-CB 4.34Å; I271-M316 HydrophobicContact CG1-CE 4.08Å; I271-M316 HydrophobicContact CG2-CB 3.88Å; I274-M316 HydrophobicContact CD1-SD 4.01Å; I312-M316 HydrophobicContact CG2-CG 4.25Å; I312-M316 HydrophobicContact CG2-SD 4.04Å; I312-M316 WeakPolarHBondContact O-CB 3.45Å; I312-M316 WeakPolarHBondContact O-CG 3.47Å; I312-M316 PolarHBondContact O-N 3.31Å; M316-T320 WeakPolarHBondContact O-CB 3.38Å; M316-T320 PolarHBondContact O-N 3.39Å; M316-T320 PolarHBondContact O-OG1 3.36Å; M316-F550 HydrophobicContact CE-CD1 4.05Å; M316-F550 HydrophobicContact CE-CE1 3.56Å; M316-F550 HydrophobicContact CE-CZ 3.87Å; M316-F550 HydrophobicContact SD-CE1 3.66Å; M316-F550 HydrophobicContact SD-CZ 3.64Å; M316-F552 HydrophobicContact CE-CE2 4.2Å; M316-F552 HydrophobicContact CE-CZ 4.46Å; M316-A589 HydrophobicContact CG-CB 3.8Å
317L96.9Very high95Very high21 Ų2142.8 Ų42.811%0.1121%0.213CC..Hα-helixtrans-62-46.3-179.3-172.473.7000111.2M130 A134 I271 S313 V314 I315 W321M130-L317 HydrophobicContact CB-CD1 4.06Å; M130-L317 HydrophobicContact CE-CD1 4.22Å; A134-L317 HydrophobicContact CB-CD1 4.02Å; A134-L317 HydrophobicContact CB-CD2 4.39Å; I271-L317 HydrophobicContact CG2-CB 4.19Å; S313-L317 WeakPolarHBondContact O-CB 3.15Å; S313-L317 PolarHBondContact O-N 3.31Å; V314-L317 PolarHBondContact O-N 3.23Å; I315-L317 PolarHBondContact O-N 3.39Å; L317-W321 WeakPolarHBondContact O-CB 3.41Å; L317-W321 PolarHBondContact O-N 3.4Å
318L96.1Very high94.8Very high76 Ų7638.8 Ų38.840%0.39819%0.191SC..Hα-helixtrans-67.3-46179.8-68.5175.8000111.9L127 V314 I315 W321 I322L127-L318 HydrophobicContact CD1-CD2 4.33Å; V314-L318 HydrophobicContact CG1-CD1 4.03Å; V314-L318 WeakPolarHBondContact O-CB 3.1Å; V314-L318 VanDerWaalsContact O-CG 3.31Å; V314-L318 WeakPolarHBondContact O-CG 3.38Å; V314-L318 PolarHBondContact O-N 2.98Å; I315-L318 PolarHBondContact O-N 2.98Å; L318-W321 WeakPolarHBondContact O-CB 3.5Å; L318-W321 PolarHBondContact O-N 2.86Å; L318-I322 WeakPolarHBondContact O-CG1 2.98Å; L318-I322 PolarHBondContact O-N 3.02Å
319L96.7Very high94.2Very high74 Ų7441.4 Ų41.439%0.38721%0.205SC..Hα-helixtrans-67.1-37.6178.3-68.4-179.4000111.8I315 I322 W323 I585I315-L319 HydrophobicContact CG2-CD1 3.7Å; I315-L319 HydrophobicContact CG2-CG 4.3Å; I315-L319 WeakPolarHBondContact O-CB 3.34Å; I315-L319 VanDerWaalsContact O-CG 3.29Å; I315-L319 WeakPolarHBondContact O-CG 3.44Å; I315-L319 PolarHBondContact O-N 3.09Å; L319-I322 PolarHBondContact O-N 3.05Å; L319-W323 VanDerWaalsContact O-CB 3.26Å; L319-W323 WeakPolarHBondContact O-CB 3.11Å; L319-W323 PolarHBondContact O-N 3.36Å; L319-I585 HydrophobicContact CB-CD1 4.19Å; L319-I585 HydrophobicContact CB-CG1 4.4Å; L319-I585 HydrophobicContact CB-CG2 3.58Å; L319-I585 HydrophobicContact CD1-CG2 3.92Å; L319-I585 HydrophobicContact CG-CG2 4.41Å
320T96.6Very high93.2Very high0 Ų042.8 Ų42.80%022%0.219CC..Hα-helixtrans-64.6-42.4173.9-60.90000111M130 Y267 I271 M316 I322 W323 L324 V582M130-T320 HydrophobicContact CE-CG2 3.91Å; Y267-T320 HydrophobicContact CD2-CG2 4.26Å; I271-T320 HydrophobicContact CD1-CG2 4.23Å; M316-T320 WeakPolarHBondContact O-CB 3.38Å; M316-T320 PolarHBondContact O-N 3.39Å; M316-T320 PolarHBondContact O-OG1 3.36Å; T320-I322 PolarHBondContact O-N 3.2Å; T320-W323 PolarHBondContact O-N 3.02Å; T320-L324 HydrophobicContact CG2-CD1 3.85Å; T320-L324 HydrophobicContact CG2-CG 4.09Å; T320-L324 WeakPolarHBondContact O-CB 3.26Å; T320-L324 VanDerWaalsContact O-CG 3.26Å; T320-L324 WeakPolarHBondContact O-CG 3.34Å; T320-L324 PolarHBondContact O-N 3.45Å; T320-V582 HydrophobicContact CG2-CG1 4.29Å; T320-V582 HydrophobicContact CG2-CG2 3.64Å
321W95.1Very high91.7Very high19 Ų1944 Ų447%0.07223%0.234CC..Hα-helixtrans-59.4-46.9175.2167.371.7000111.8A123 M126 L127 M130 L317 L318 Y325 F333A123-W321 PolarHBondContact O-NE1 3.49Å; M126-W321 HydrophobicContact CE-CG 4.17Å; M126-W321 WeakPolarHBondContact CE-O 3.35Å; L127-W321 HydrophobicContact CB-CD2 4.3Å; L127-W321 HydrophobicContact CB-CG 4.21Å; L127-W321 HydrophobicContact CD1-CB 4.02Å; L127-W321 HydrophobicContact CD1-CD2 4.09Å; L127-W321 HydrophobicContact CD1-CE3 4.49Å; L127-W321 HydrophobicContact CD1-CG 3.84Å; L127-W321 HydrophobicContact CD2-CD2 4.32Å; L127-W321 HydrophobicContact CD2-CE3 4.41Å; L127-W321 HydrophobicContact CD2-CZ2 4.45Å; L127-W321 HydrophobicContact CG-CD2 4.47Å; L127-W321 HydrophobicContact CG-CG 4.5Å; M130-W321 HydrophobicContact CE-CB 4.18Å; M130-W321 HydrophobicContact SD-CB 4.17Å; L317-W321 WeakPolarHBondContact O-CB 3.41Å; L317-W321 PolarHBondContact O-N 3.4Å; L318-W321 WeakPolarHBondContact O-CB 3.5Å; L318-W321 PolarHBondContact O-N 2.86Å; W321-Y325 VanDerWaalsContact O-CB 3.23Å; W321-Y325 WeakPolarHBondContact O-CB 3.37Å; W321-Y325 PolarHBondContact O-N 3.49Å; W321-F333 HydrophobicContact CH2-CE2 4.33Å; W321-F333 HydrophobicContact CH2-CZ 4.08Å; W321-F333 HydrophobicContact CZ3-CZ 4.19Å
322I93.8Very high90Very high71 Ų7147.1 Ų47.136%0.36425%0.248SC..Hα-helixtrans-61.8-45.4176.3-66.4165.8000110.8L318 L319 T320 Y325 W326 F333L318-I322 WeakPolarHBondContact O-CG1 2.98Å; L318-I322 PolarHBondContact O-N 3.02Å; L319-I322 PolarHBondContact O-N 3.05Å; T320-I322 PolarHBondContact O-N 3.2Å; I322-Y325 PolarHBondContact O-N 3.14Å; I322-W326 WeakPolarHBondContact O-CB 3.46Å; I322-W326 PolarHBondContact O-N 2.7Å; I322-F333 HydrophobicContact CG1-CE2 4.33Å; I322-F333 HydrophobicContact CG1-CZ 4.23Å
323W95.3Very high88.1Confident69 Ų6950.4 Ų50.426%0.26126%0.262SS..Hα-helixtrans-61-50.4179.4172.8-112.9000112.5L319 T320 Y325 W326 L327 A578 I585L319-W323 VanDerWaalsContact O-CB 3.26Å; L319-W323 WeakPolarHBondContact O-CB 3.11Å; L319-W323 PolarHBondContact O-N 3.36Å; T320-W323 PolarHBondContact O-N 3.02Å; W323-Y325 VanDerWaalsContact C-N 3.32Å; W323-Y325 PolarHBondContact O-N 3.2Å; W323-W326 AromaticContact CE3-CE3 3.99Å; W323-W326 HydrophobicContact CE3-CE3 3.99Å; W323-W326 HydrophobicContact CE3-CZ3 4.31Å; W323-W326 HydrophobicContact CH2-CE3 4.35Å; W323-W326 AromaticContact CH2-CZ3 3.92Å; W323-W326 HydrophobicContact CH2-CZ3 3.92Å; W323-W326 AromaticContact CZ3-CE3 3.68Å; W323-W326 HydrophobicContact CZ3-CE3 3.68Å; W323-W326 AromaticContact CZ3-CZ3 3.53Å; W323-W326 HydrophobicContact CZ3-CZ3 3.53Å; W323-W326 PolarHBondContact O-N 3.3Å; W323-L327 VanDerWaalsContact O-CB 3.28Å; W323-L327 WeakPolarHBondContact O-CB 3.49Å; W323-L327 PolarHBondContact O-N 3.15Å; W323-A578 PolarHBondContact NE1-O 2.87Å; W323-I585 HydrophobicContact CB-CD1 3.85Å; W323-I585 HydrophobicContact CG-CD1 4.16Å
324L93.5Very high86.1Confident0 Ų056 Ų560%029%0.292CS..Hα-helixtrans-64.7-38.2178.4-67.6-179.9000111.6M126 M130 I263 Y267 T320 L327 F328 A578M126-L324 HydrophobicContact CE-CB 4.16Å; M130-L324 HydrophobicContact CE-CD1 4.25Å; M130-L324 HydrophobicContact SD-CD1 4.48Å; I263-L324 HydrophobicContact CG2-CD1 4.35Å; I263-L324 HydrophobicContact CG2-CD2 3.89Å; Y267-L324 HydrophobicContact CD2-CD1 4.39Å; Y267-L324 HydrophobicContact CD2-CD2 4.43Å; Y267-L324 HydrophobicContact CE2-CD2 4.32Å; T320-L324 HydrophobicContact CG2-CD1 3.85Å; T320-L324 HydrophobicContact CG2-CG 4.09Å; T320-L324 WeakPolarHBondContact O-CB 3.26Å; T320-L324 VanDerWaalsContact O-CG 3.26Å; T320-L324 WeakPolarHBondContact O-CG 3.34Å; T320-L324 PolarHBondContact O-N 3.45Å; L324-L327 PolarHBondContact O-N 3.43Å; L324-F328 HydrophobicContact CD2-CD2 4.36Å; L324-F328 HydrophobicContact CD2-CE2 4.02Å; L324-F328 WeakPolarHBondContact O-CD2 3.45Å; L324-F328 PolarHBondContact O-N 3.18Å; L324-A578 HydrophobicContact CD2-CB 3.74Å
325Y89.9Confident83.9Confident15 Ų1562.8 Ų62.86%0.05931%0.31CS..Iπ-helixtrans-60.8-50.1174.6-177.7-84.5000110.8A123 W321 I322 W323 L327 L329 G330 F333 A336A123-Y325 HydrophobicContact CB-CD2 3.94Å; A123-Y325 HydrophobicContact CB-CE2 3.58Å; W321-Y325 VanDerWaalsContact O-CB 3.23Å; W321-Y325 WeakPolarHBondContact O-CB 3.37Å; W321-Y325 PolarHBondContact O-N 3.49Å; I322-Y325 PolarHBondContact O-N 3.14Å; W323-Y325 VanDerWaalsContact C-N 3.32Å; W323-Y325 PolarHBondContact O-N 3.2Å; Y325-L327 PolarHBondContact O-N 3.22Å; Y325-L329 HydrophobicContact CD2-CB 4.01Å; Y325-L329 HydrophobicContact CD2-CD1 4.32Å; Y325-L329 HydrophobicContact CD2-CD2 4.15Å; Y325-L329 HydrophobicContact CD2-CG 4.39Å; Y325-L329 HydrophobicContact CE1-CB 4.49Å; Y325-L329 HydrophobicContact CE2-CB 3.89Å; Y325-L329 HydrophobicContact CE2-CD2 3.91Å; Y325-L329 HydrophobicContact CE2-CG 4.41Å; Y325-L329 HydrophobicContact CG-CB 4.36Å; Y325-L329 CarbonylContact O-C 3.6Å; Y325-L329 VanDerWaalsContact O-CA 3.3Å; Y325-L329 WeakPolarHBondContact O-CA 3.1Å; Y325-L329 WeakPolarHBondContact O-CB 3.49Å; Y325-L329 PolarHBondContact O-N 3.23Å; Y325-G330 WeakPolarHBondContact CE1-O 3.39Å; Y325-G330 PolarHBondContact O-N 3.2Å; Y325-G330 VanDerWaalsContact O-N 3.16Å; Y325-F333 AromaticContact CD1-CD2 3.53Å; Y325-F333 HydrophobicContact CD1-CD2 3.53Å; Y325-F333 HydrophobicContact CD1-CE2 4.17Å; Y325-F333 HydrophobicContact CE1-CB 4.18Å; Y325-F333 AromaticContact CE1-CD2 3.67Å; Y325-F333 HydrophobicContact CE1-CD2 3.67Å; Y325-F333 HydrophobicContact CE1-CG 4.4Å; Y325-F333 HydrophobicContact CG-CD2 4.27Å; Y325-A336 HydrophobicContact CE2-CB 4.27Å; Y325-A336 WeakPolarHBondContact OH-CB 3.32Å
326W90.5Very high81.9Confident141 Ų14161.1 Ų61.153%0.53430%0.304SS..Iπ-helixtrans-62.2-42.7179.3-179.478.9000112.1I322 W323 G330I322-W326 WeakPolarHBondContact O-CB 3.46Å; I322-W326 PolarHBondContact O-N 2.7Å; W323-W326 AromaticContact CE3-CE3 3.99Å; W323-W326 HydrophobicContact CE3-CE3 3.99Å; W323-W326 HydrophobicContact CE3-CZ3 4.31Å; W323-W326 HydrophobicContact CH2-CE3 4.35Å; W323-W326 AromaticContact CH2-CZ3 3.92Å; W323-W326 HydrophobicContact CH2-CZ3 3.92Å; W323-W326 AromaticContact CZ3-CE3 3.68Å; W323-W326 HydrophobicContact CZ3-CE3 3.68Å; W323-W326 AromaticContact CZ3-CZ3 3.53Å; W323-W326 HydrophobicContact CZ3-CZ3 3.53Å; W323-W326 PolarHBondContact O-N 3.3Å; W326-G330 WeakPolarHBondContact O-CA 3.45Å; W326-G330 PolarHBondContact O-N 2.87Å
327L91Very high79.7Confident57 Ų5763.9 Ų63.930%0.29832%0.322SS..Iπ-helixtrans-67.6-41.7-177.1-175.465.4000113.3W323 L324 Y325 K577 A578W323-L327 VanDerWaalsContact O-CB 3.28Å; W323-L327 WeakPolarHBondContact O-CB 3.49Å; W323-L327 PolarHBondContact O-N 3.15Å; L324-L327 PolarHBondContact O-N 3.43Å; Y325-L327 PolarHBondContact O-N 3.22Å; L327-K577 HydrophobicContact CD2-CB 4.48Å; L327-A578 HydrophobicContact CD2-CB 3.81Å
328F88.4Confident77.2Confident20 Ų2068.8 Ų68.89%0.08835%0.348CS..Iπ-helixtrans-105.2-36-173.3-70.1-72.2000113.8M256 K259 A260 I263 L324 D574 A578M256-F328 HydrophobicContact CB-CB 4.27Å; M256-F328 WeakPolarHBondContact CB-O 3.39Å; M256-F328 HydrophobicContact SD-CD1 3.98Å; K259-F328 HydrophobicContact CB-CD1 4.08Å; K259-F328 HydrophobicContact CB-CE1 3.99Å; K259-F328 HydrophobicContact CD-CD1 4.46Å; K259-F328 HydrophobicContact CD-CE1 4.16Å; A260-F328 HydrophobicContact CB-CB 3.79Å; A260-F328 HydrophobicContact CB-CD2 3.99Å; A260-F328 HydrophobicContact CB-CG 4.08Å; I263-F328 HydrophobicContact CD1-CE1 4.45Å; I263-F328 HydrophobicContact CD1-CE2 3.85Å; I263-F328 HydrophobicContact CD1-CZ 3.52Å; L324-F328 HydrophobicContact CD2-CD2 4.36Å; L324-F328 HydrophobicContact CD2-CE2 4.02Å; L324-F328 WeakPolarHBondContact O-CD2 3.45Å; L324-F328 PolarHBondContact O-N 3.18Å; F328-D574 HydrophobicContact CE1-CB 4.14Å; F328-D574 HydrophobicContact CZ-CB 4.08Å; F328-A578 HydrophobicContact CE2-CB 4.09Å; F328-A578 HydrophobicContact CZ-CB 4.38Å
329L80.2Confident74.9Confident56 Ų5672.4 Ų72.429%0.29337%0.365SS..Iπ-helixtrans-100.6-13.5-176.3-68.291.2000113.5A260 Y325A260-L329 HydrophobicContact CB-CD1 3.65Å; Y325-L329 HydrophobicContact CD2-CB 4.01Å; Y325-L329 HydrophobicContact CD2-CD1 4.32Å; Y325-L329 HydrophobicContact CD2-CD2 4.15Å; Y325-L329 HydrophobicContact CD2-CG 4.39Å; Y325-L329 HydrophobicContact CE1-CB 4.49Å; Y325-L329 HydrophobicContact CE2-CB 3.89Å; Y325-L329 HydrophobicContact CE2-CD2 3.91Å; Y325-L329 HydrophobicContact CE2-CG 4.41Å; Y325-L329 HydrophobicContact CG-CB 4.36Å; Y325-L329 CarbonylContact O-C 3.6Å; Y325-L329 VanDerWaalsContact O-CA 3.3Å; Y325-L329 WeakPolarHBondContact O-CA 3.1Å; Y325-L329 WeakPolarHBondContact O-CB 3.49Å; Y325-L329 PolarHBondContact O-N 3.23Å
330G76.5Confident72Confident29 Ų2975.8 Ų75.830%0.29938%0.383SS..  trans91.4-173.2172.200000115.2Y325 W326 D332Y325-G330 WeakPolarHBondContact CE1-O 3.39Å; Y325-G330 PolarHBondContact O-N 3.2Å; Y325-G330 VanDerWaalsContact O-N 3.16Å; W326-G330 WeakPolarHBondContact O-CA 3.45Å; W326-G330 PolarHBondContact O-N 2.87Å; G330-D332 PolarHBondContact O-N 3.49Å
331S63.4Low69.5Low98 Ų9882.3 Ų82.369%0.68541%0.413SS*.SBendtrans-83.32.8-168.3-167.10000115.6F333S331-F333 PolarHBondContact O-N 2.97Å
332D61.8Low66.9Low115 Ų11588.5 Ų88.562%0.61545%0.448SS*.THydrogen-bonded Turntrans-75.934.9180-78.9-21.7000112.9G330 N334 R335 A336G330-D332 PolarHBondContact O-N 3.49Å; D332-N334 VanDerWaalsContact C-N 3.26Å; D332-N334 PolarHBondContact O-N 3.44Å; D332-R335 PolarHBondContact O-N 2.92Å; D332-A336 PolarHBondContact O-N 3.13Å
333F55.9Low64.4Low68 Ų6894.5 Ų94.530%0.29847%0.471SS..Hα-helixtrans-57.1-38.5-177.6-163.9-97000112W321 I322 Y325 S331 R335 A336 C337W321-F333 HydrophobicContact CH2-CE2 4.33Å; W321-F333 HydrophobicContact CH2-CZ 4.08Å; W321-F333 HydrophobicContact CZ3-CZ 4.19Å; I322-F333 HydrophobicContact CG1-CE2 4.33Å; I322-F333 HydrophobicContact CG1-CZ 4.23Å; Y325-F333 AromaticContact CD1-CD2 3.53Å; Y325-F333 HydrophobicContact CD1-CD2 3.53Å; Y325-F333 HydrophobicContact CD1-CE2 4.17Å; Y325-F333 HydrophobicContact CE1-CB 4.18Å; Y325-F333 AromaticContact CE1-CD2 3.67Å; Y325-F333 HydrophobicContact CE1-CD2 3.67Å; Y325-F333 HydrophobicContact CE1-CG 4.4Å; Y325-F333 HydrophobicContact CG-CD2 4.27Å; S331-F333 PolarHBondContact O-N 2.97Å; F333-R335 VanDerWaalsContact C-N 3.3Å; F333-R335 PolarHBondContact O-N 3.31Å; F333-A336 PolarHBondContact O-N 3.37Å; F333-C337 HydrophobicContact CD1-CB 4.45Å; F333-C337 HydrophobicContact CE1-CB 4.32Å; F333-C337 WeakPolarHBondContact O-CB 3.45Å; F333-C337 PolarHBondContact O-N 3.37Å
334N55.3Low62.4Low124 Ų12497.1 Ų97.166%0.66348%0.484SS*.Hα-helixtrans-62.4-33.4176.8-85.7-8.8000113.1D332 L338D332-N334 VanDerWaalsContact C-N 3.26Å; D332-N334 PolarHBondContact O-N 3.44Å; N334-L338 VanDerWaalsContact O-CB 3.27Å; N334-L338 WeakPolarHBondContact O-CB 3.26Å; N334-L338 PolarHBondContact O-N 3.19Å
335R51.4Low61.1Low213 Ų21399.9 Ų99.980%0.80450%0.504SS*.Hα-helixtrans-80.9-21.3179.6-169.3179-89.2-162.1-3.5112.4D332 F333D332-R335 PolarHBondContact O-N 2.92Å; F333-R335 VanDerWaalsContact C-N 3.3Å; F333-R335 PolarHBondContact O-N 3.31Å
336A53.8Low60.1Low18 Ų18101.7 Ų101.715%0.14953%0.527CS..Hα-helixtrans-89.2-30.817600000113.5A123 Y325 D332 F333A123-A336 HydrophobicContact CB-CB 4.22Å; Y325-A336 HydrophobicContact CE2-CB 4.27Å; Y325-A336 WeakPolarHBondContact OH-CB 3.32Å; D332-A336 PolarHBondContact O-N 3.13Å; F333-A336 PolarHBondContact O-N 3.37Å
337C52.3Low59Low58 Ų5898.3 Ų98.339%0.39252%0.516SS..Hα-helixtrans-90.3-36.6178.5-159.60000113F333 M339F333-C337 HydrophobicContact CD1-CB 4.45Å; F333-C337 HydrophobicContact CE1-CB 4.32Å; F333-C337 WeakPolarHBondContact O-CB 3.45Å; F333-C337 PolarHBondContact O-N 3.37Å; C337-M339 PolarHBondContact O-N 3.44Å
338L44.7Very low58.2Low123 Ų12397.8 Ų97.864%0.64451%0.512SS*.SBendtrans-76.8110.5170.8-87.487.6000110.2N334 N340N334-L338 VanDerWaalsContact O-CB 3.27Å; N334-L338 WeakPolarHBondContact O-CB 3.26Å; N334-L338 PolarHBondContact O-N 3.19Å; L338-N340 PolarHBondContact O-N 2.75Å
339M46.3Very low57.7Low153 Ų153103.2 Ų103.275%0.75454%0.536SS*.  trans-37119.8167-70.6-178.9161.600112.6C337C337-M339 PolarHBondContact O-N 3.44Å
340N36.9Very low57.6Low145 Ų145101.6 Ų101.678%0.77553%0.531SS*.  trans-115.182.1144.6-147.7-13.1000107.7L338 N342L338-N340 PolarHBondContact O-N 2.75Å; N340-N342 PolarHBondContact O-N 3.28Å
341H44Very low57.7Low137 Ų137100.3 Ų100.363%0.63452%0.517SS*.THydrogen-bonded Turntrans-64.1-6.5-173.2-122.5-85.4000114.2
342N39.5Very low58.6Low148 Ų148101.5 Ų101.579%0.79151%0.506SS*.THydrogen-bonded Turntrans-93.8-0.6-162.5-86-11.2000116.6N340N340-N342 PolarHBondContact O-N 3.28Å
343K42.4Very low59.7Low197 Ų197101.9 Ų101.986%0.85750%0.503SS*.  trans-148.789.7170.5-107.1174.1-177.8174.50111.2S345K343-S345 PolarHBondContact O-N 3.46Å
344K53.8Low61Low124 Ų12499.2 Ų99.254%0.53949%0.492SS..  trans-54.4110167.7-74.7-176.6-179.2177.40109.1E348K344-E348 WeakPolarHBondContact CA-OE2 3.31Å
345S65.2Low62.4Low58 Ų5893.4 Ų93.441%0.40646%0.461SS..  trans-61.6146.9178.9-1710000109.4K343 K347 E348 K349K343-S345 PolarHBondContact O-N 3.46Å; S345-K347 PolarHBondContact O-N 3.33Å; S345-E348 PolarHBondContact O-N 2.81Å; S345-K349 PolarHBondContact O-N 3.11Å
346G68.3Low64Low54 Ų5486.7 Ų86.756%0.55744%0.438SS*.Hα-helixtrans-52.8-26.1176.800000113.5K349 A350G346-K349 PolarHBondContact O-N 2.96Å; G346-A350 PolarHBondContact O-N 3.48Å; G346-A350 VanDerWaalsContact O-N 3.08Å
347K67.4Low65.5Low69 Ų6990.5 Ų90.530%0.345%0.453SS..Hα-helixtrans-64.5-45.5174.6-59177.8-178.4179.70113.6S345 K349 A350 A351S345-K347 PolarHBondContact O-N 3.33Å; K347-K349 VanDerWaalsContact C-N 3.28Å; K347-K349 PolarHBondContact O-N 3.47Å; K347-A350 PolarHBondContact O-N 2.97Å; K347-A351 PolarHBondContact O-N 3.37Å
348E74.6Confident67.1Low46 Ų4690.4 Ų90.422%0.21545%0.447CS..Hα-helixtrans-65.1-37.6179.6-71.2177.7173.400110.4V120 K344 S345 R352V120-E348 HydrophobicContact CB-CB 4.49Å; V120-E348 HydrophobicContact CG2-CB 3.7Å; V120-E348 HydrophobicContact CG2-CG 4.17Å; K344-E348 WeakPolarHBondContact CA-OE2 3.31Å; S345-E348 PolarHBondContact O-N 2.81Å; E348-R352 WeakPolarHBondContact O-CB 3.39Å; E348-R352 PolarHBondContact O-N 3.25Å
349K78.2Confident69Low135 Ų13588.2 Ų88.259%0.58743%0.431SS*.Hα-helixtrans-64.9-41.5174.2-65.7-175.9-178.8-178.90111.8S345 G346 K347 K353S345-K349 PolarHBondContact O-N 3.11Å; G346-K349 PolarHBondContact O-N 2.96Å; K347-K349 VanDerWaalsContact C-N 3.28Å; K347-K349 PolarHBondContact O-N 3.47Å; K349-K353 VanDerWaalsContact O-CB 3.29Å; K349-K353 WeakPolarHBondContact O-CB 3.47Å; K349-K353 PolarHBondContact O-N 2.87Å
350A77.6Confident71Confident22 Ų2288.2 Ų88.218%0.18243%0.427CS..Hα-helixtrans-65.7-49.4177.200000111.9A163 G346 K347 R352 K353 V354A163-A350 HydrophobicContact CB-CB 3.92Å; G346-A350 PolarHBondContact O-N 3.48Å; G346-A350 VanDerWaalsContact O-N 3.08Å; K347-A350 PolarHBondContact O-N 2.97Å; A350-R352 VanDerWaalsContact C-N 3.34Å; A350-R352 PolarHBondContact O-N 3.21Å; A350-K353 PolarHBondContact O-N 3.19Å; A350-V354 WeakPolarHBondContact O-CG2 3.33Å; A350-V354 PolarHBondContact O-N 3.4Å; A350-V354 VanDerWaalsContact O-N 3.12Å
351A77.9Confident73.5Confident1 Ų185 Ų851%0.00842%0.416CS..Hα-helixtrans-59.6-44.1177.100000111.9V120 V156 I160 K347 K353 V354 I355V120-A351 HydrophobicContact CB-CB 4.46Å; V156-A351 HydrophobicContact CG1-CB 4.24Å; I160-A351 HydrophobicContact CD1-CB 4.16Å; I160-A351 HydrophobicContact CG1-CB 3.99Å; K347-A351 PolarHBondContact O-N 3.37Å; A351-K353 VanDerWaalsContact C-N 3.34Å; A351-K353 PolarHBondContact O-N 3.01Å; A351-V354 PolarHBondContact O-N 3.42Å; A351-I355 WeakPolarHBondContact O-CG1 3.26Å; A351-I355 PolarHBondContact O-N 3.27Å; A351-I355 VanDerWaalsContact O-N 3.15Å
352R83.6Confident75.5Confident123 Ų12379.9 Ų79.946%0.46439%0.392SS..Hα-helixtrans-61.2-42.9176-169.2173175.6179.910112.3V120 E348 A350 V354 I355 E356V120-R352 HydrophobicContact CG1-CB 3.8Å; V120-R352 HydrophobicContact CG1-CG 4.28Å; V120-R352 HydrophobicContact CG2-CB 4.36Å; E348-R352 WeakPolarHBondContact O-CB 3.39Å; E348-R352 PolarHBondContact O-N 3.25Å; A350-R352 VanDerWaalsContact C-N 3.34Å; A350-R352 PolarHBondContact O-N 3.21Å; R352-V354 VanDerWaalsContact C-N 3.31Å; R352-V354 PolarHBondContact O-N 3.23Å; R352-I355 PolarHBondContact O-N 2.81Å; R352-E356 HydrophobicContact CG-CG 4.33Å; R352-E356 WeakPolarHBondContact CG-OE1 3.32Å; R352-E356 IonicContact CZ-OE1 3.81Å; R352-E356 IonicContact NE-OE1 3.14Å; R352-E356 PolarHBondContact NE-OE1 3.49Å; R352-E356 IonicContact NH2-OE1 3.35Å; R352-E356 PolarHBondContact NH2-OE1 3.24Å; R352-E356 WeakPolarHBondContact O-CB 3.05Å; R352-E356 WeakPolarHBondContact O-CG 3.23Å; R352-E356 PolarHBondContact O-N 2.82Å
353K85.1Confident77.9Confident124 Ų12474.8 Ų74.854%0.53938%0.375SS..Hα-helixtrans-60.5-42.2179.9-178.1174.6171.1178.90111.3K349 A350 A351 E356 E357K349-K353 VanDerWaalsContact O-CB 3.29Å; K349-K353 WeakPolarHBondContact O-CB 3.47Å; K349-K353 PolarHBondContact O-N 2.87Å; A350-K353 PolarHBondContact O-N 3.19Å; A351-K353 VanDerWaalsContact C-N 3.34Å; A351-K353 PolarHBondContact O-N 3.01Å; K353-E356 PolarHBondContact O-N 3.32Å; K353-E357 WeakPolarHBondContact CE-OE1 3.4Å; K353-E357 HydrophobicContact CG-CG 4.38Å; K353-E357 WeakPolarHBondContact CG-OE1 3.29Å; K353-E357 IonicContact NZ-OE1 2.74Å; K353-E357 WeakPolarHBondContact O-CB 3.27Å; K353-E357 VanDerWaalsContact O-CG 3.23Å; K353-E357 WeakPolarHBondContact O-CG 3.37Å; K353-E357 PolarHBondContact O-N 3.32Å
354V83.1Confident80.1Confident11 Ų1169.7 Ų69.77%0.06737%0.37CS..Hα-helixtrans-63.8-46.7177.4177.30000111.2V156 Q159 A350 A351 R352 E356 E357 E358V156-V354 HydrophobicContact CG2-CB 4.34Å; V156-V354 HydrophobicContact CG2-CG1 3.82Å; Q159-V354 HydrophobicContact CB-CG2 3.71Å; Q159-V354 HydrophobicContact CG-CG2 3.47Å; Q159-V354 VanDerWaalsContact CG-CG2 3.47Å; A350-V354 WeakPolarHBondContact O-CG2 3.33Å; A350-V354 PolarHBondContact O-N 3.4Å; A350-V354 VanDerWaalsContact O-N 3.12Å; A351-V354 PolarHBondContact O-N 3.42Å; R352-V354 VanDerWaalsContact C-N 3.31Å; R352-V354 PolarHBondContact O-N 3.23Å; V354-E356 VanDerWaalsContact C-N 3.32Å; V354-E356 PolarHBondContact O-N 3Å; V354-E357 PolarHBondContact O-N 2.6Å; V354-E358 WeakPolarHBondContact O-CB 3.36Å; V354-E358 WeakPolarHBondContact O-CG 3.37Å; V354-E358 PolarHBondContact O-N 3.47Å
355I83.3Confident81.8Confident3 Ų368.2 Ų68.22%0.01537%0.367CS..Hα-helixtrans-62.4-41.4178.2-64.2162.1000110.8L112 V115 S116 V120 L125 V156 A351 R352 Y359L112-I355 HydrophobicContact CD2-CG2 4.34Å; V115-I355 HydrophobicContact CG1-CD1 3.79Å; S116-I355 VanDerWaalsContact OG-CG2 3.29Å; S116-I355 WeakPolarHBondContact OG-CG2 3.45Å; V120-I355 HydrophobicContact CG1-CD1 4.11Å; L125-I355 HydrophobicContact CD1-CD1 4Å; V156-I355 HydrophobicContact CG2-CG1 3.98Å; A351-I355 WeakPolarHBondContact O-CG1 3.26Å; A351-I355 PolarHBondContact O-N 3.27Å; A351-I355 VanDerWaalsContact O-N 3.15Å; R352-I355 PolarHBondContact O-N 2.81Å; I355-Y359 WeakPolarHBondContact O-CB 3.26Å; I355-Y359 PolarHBondContact O-N 3.35Å
356E85.6Confident83Confident71 Ų7172 Ų7233%0.33237%0.372SS..Hα-helixtrans-68.2-36.6176.3-75.3178.9-171.600112.6R352 K353 V354 K360R352-E356 HydrophobicContact CG-CG 4.33Å; R352-E356 WeakPolarHBondContact CG-OE1 3.32Å; R352-E356 IonicContact CZ-OE1 3.81Å; R352-E356 IonicContact NE-OE1 3.14Å; R352-E356 PolarHBondContact NE-OE1 3.49Å; R352-E356 IonicContact NH2-OE1 3.35Å; R352-E356 PolarHBondContact NH2-OE1 3.24Å; R352-E356 WeakPolarHBondContact O-CB 3.05Å; R352-E356 WeakPolarHBondContact O-CG 3.23Å; R352-E356 PolarHBondContact O-N 2.82Å; K353-E356 PolarHBondContact O-N 3.32Å; V354-E356 VanDerWaalsContact C-N 3.32Å; V354-E356 PolarHBondContact O-N 3Å; E356-K360 VanDerWaalsContact O-CB 3.28Å; E356-K360 WeakPolarHBondContact O-CB 3.32Å; E356-K360 WeakPolarHBondContact O-CD 3.34Å; E356-K360 WeakPolarHBondContact O-CG 3.5Å; E356-K360 PolarHBondContact O-N 3.49Å
357E86.5Confident84Confident98 Ų9874 Ų7446%0.45838%0.376SS..Hα-helixtrans-66.8-46.3174.7-78.1171.9174.600111.2K353 V354 Y359 K360 S361K353-E357 WeakPolarHBondContact CE-OE1 3.4Å; K353-E357 HydrophobicContact CG-CG 4.38Å; K353-E357 WeakPolarHBondContact CG-OE1 3.29Å; K353-E357 IonicContact NZ-OE1 2.74Å; K353-E357 WeakPolarHBondContact O-CB 3.27Å; K353-E357 VanDerWaalsContact O-CG 3.23Å; K353-E357 WeakPolarHBondContact O-CG 3.37Å; K353-E357 PolarHBondContact O-N 3.32Å; V354-E357 PolarHBondContact O-N 2.6Å; E357-Y359 VanDerWaalsContact C-N 3.34Å; E357-Y359 PolarHBondContact O-N 2.9Å; E357-K360 PolarHBondContact O-N 3.35Å; E357-S361 WeakPolarHBondContact O-CB 3.28Å; E357-S361 PolarHBondContact O-N 2.94Å
358E84.3Confident85.1Confident57 Ų5771.5 Ų71.527%0.26637%0.365SS..Hα-helixtrans-58.7-44.8172.6-77.7-63.114600111.3R108 L112 V354 S361 L362R108-E358 IonicContact NH2-OE2 2.7Å; L112-E358 HydrophobicContact CD1-CB 4.09Å; L112-E358 HydrophobicContact CD2-CB 4.31Å; V354-E358 WeakPolarHBondContact O-CB 3.36Å; V354-E358 WeakPolarHBondContact O-CG 3.37Å; V354-E358 PolarHBondContact O-N 3.47Å; E358-S361 WeakPolarHBondContact O-CB 3.5Å; E358-S361 PolarHBondContact O-N 3.46Å; E358-S361 PolarHBondContact O-OG 2.94Å; E358-L362 PolarHBondContact O-N 3.42Å
359Y86.2Confident86Confident77 Ų7769.6 Ų69.630%0.30236%0.356SS..Hα-helixtrans-65.8-40.7177.3-172.5-90.7000112.2R109 L112 I355 E357 S361 L362R109-Y359 HydrophobicContact CG-CE2 3.73Å; L112-Y359 HydrophobicContact CB-CD2 3.91Å; L112-Y359 HydrophobicContact CD1-CD2 4.42Å; I355-Y359 WeakPolarHBondContact O-CB 3.26Å; I355-Y359 PolarHBondContact O-N 3.35Å; E357-Y359 VanDerWaalsContact C-N 3.34Å; E357-Y359 PolarHBondContact O-N 2.9Å; Y359-S361 VanDerWaalsContact C-N 3.29Å; Y359-S361 PolarHBondContact O-N 3.04Å; Y359-L362 HydrophobicContact CD2-CD1 4.48Å; Y359-L362 WeakPolarHBondContact O-CB 3.36Å; Y359-L362 PolarHBondContact O-N 3.1Å
360K88Confident86.7Confident153 Ų15366.9 Ų66.967%0.66535%0.347SS*.Hα-helixtrans-65.7-33.3175.1-77.4170-1781720111.9E356 E357 L362 G363E356-K360 VanDerWaalsContact O-CB 3.28Å; E356-K360 WeakPolarHBondContact O-CB 3.32Å; E356-K360 WeakPolarHBondContact O-CD 3.34Å; E356-K360 WeakPolarHBondContact O-CG 3.5Å; E356-K360 PolarHBondContact O-N 3.49Å; E357-K360 PolarHBondContact O-N 3.35Å; K360-L362 PolarHBondContact O-N 2.9Å; K360-G363 PolarHBondContact O-N 3.36Å
361S88.3Confident87.5Confident78 Ų7868 Ų6855%0.54535%0.348SS..Hα-helixtrans-62-25.6177.8840000112.8E357 E358 Y359 G363E357-S361 WeakPolarHBondContact O-CB 3.28Å; E357-S361 PolarHBondContact O-N 2.94Å; E358-S361 WeakPolarHBondContact O-CB 3.5Å; E358-S361 PolarHBondContact O-N 3.46Å; E358-S361 PolarHBondContact O-OG 2.94Å; Y359-S361 VanDerWaalsContact C-N 3.29Å; Y359-S361 PolarHBondContact O-N 3.04Å; S361-G363 PolarHBondContact O-N 2.82Å
362L86.4Confident88.2Confident28 Ų2867.9 Ų67.915%0.14735%0.347CS..THydrogen-bonded Turntrans-69.3-18.7176.1-63.4175.2000113.1R108 R109 L112 E358 Y359 K360R108-L362 HydrophobicContact CB-CD1 4.41Å; R108-L362 HydrophobicContact CB-CD2 4.18Å; R109-L362 HydrophobicContact CB-CD1 4.11Å; R109-L362 HydrophobicContact CG-CD1 4.43Å; L112-L362 HydrophobicContact CD1-CD1 3.84Å; E358-L362 PolarHBondContact O-N 3.42Å; Y359-L362 HydrophobicContact CD2-CD1 4.48Å; Y359-L362 WeakPolarHBondContact O-CB 3.36Å; Y359-L362 PolarHBondContact O-N 3.1Å; K360-L362 PolarHBondContact O-N 2.9Å
363G89.1Confident88.7Confident42 Ų4262.8 Ų62.843%0.43333%0.333SS..  trans68.7-168.2-176.900000114.1R109 K360 S361R109-G363 PolarHBondContact NH1-O 3.06Å; R109-G363 PolarHBondContact NH2-O 2.82Å; K360-G363 PolarHBondContact O-N 3.36Å; S361-G363 PolarHBondContact O-N 2.82Å
364A89.8Confident89.2Confident89 Ų8962 Ų6274%0.73633%0.333SS*.SBendtrans-63.5151177.900000111.5R109 R366R109-A364 PolarHBondContact NH2-O 3.45Å; A364-R366 PolarHBondContact O-N 2.87Å
365I89.5Confident89.7Confident94 Ų9461.9 Ų61.948%0.48233%0.331SS..PPolyproline II helixtrans-62121.6177.4-166.6169000109.6E369 I370I365-E369 HydrophobicContact CG1-CB 4.03Å; I365-I370 HydrophobicContact CD1-CD1 4.47Å; I365-I370 HydrophobicContact CD1-CG1 3.77Å; I365-I370 HydrophobicContact CG1-CD1 4.49Å; I365-I370 HydrophobicContact CG1-CG1 3.92Å; I365-I370 HydrophobicContact CG2-CD1 4.21Å
366R89.3Confident90.2Very high138 Ų13863 Ų6352%0.52134%0.336SS..PPolyproline II helixtrans-79.9149.6-179.1-53.7-178.4178.2-177.4-0.1110.6A364 Q368 E369 I370A364-R366 PolarHBondContact O-N 2.87Å; R366-Q368 PolarHBondContact O-N 3.48Å; R366-Q368 VanDerWaalsContact O-N 3.14Å; R366-E369 HydrophobicContact CB-CG 4.24Å; R366-E369 PolarHBondContact N-OE1 2.93Å; R366-E369 VanDerWaalsContact N-OE1 3.15Å; R366-E369 WeakPolarHBondContact O-CB 3.42Å; R366-E369 PolarHBondContact O-N 2.89Å; R366-I370 PolarHBondContact O-N 3.35Å
367P89.9Confident90.6Very high96 Ų9664.6 Ų64.662%0.62335%0.347SS*.Hα-helixtrans-54.7-33.2177.2-26.434.9000113.5I370 F371P367-I370 PolarHBondContact O-N 3.43Å; P367-F371 PolarHBondContact O-N 3.3Å
368Q91.9Very high91Very high15 Ų1563.7 Ų63.77%0.0735%0.345CS..Hα-helixtrans-69.9-32.5179.2-53.287.8-10.300112.4W104 R366 T372 A423 M446W104-Q368 HydrophobicContact CD2-CB 3.32Å; W104-Q368 HydrophobicContact CD2-CG 3.94Å; W104-Q368 HydrophobicContact CE3-CB 3.45Å; W104-Q368 VanDerWaalsContact CE3-CB 3.45Å; W104-Q368 HydrophobicContact CE3-CG 3.76Å; W104-Q368 HydrophobicContact CG-CB 3.77Å; W104-Q368 HydrophobicContact CH2-CB 4.18Å; W104-Q368 HydrophobicContact CH2-CG 3.66Å; W104-Q368 HydrophobicContact CZ2-CB 4.07Å; W104-Q368 HydrophobicContact CZ2-CG 3.83Å; W104-Q368 HydrophobicContact CZ3-CB 3.88Å; W104-Q368 HydrophobicContact CZ3-CG 3.6Å; R366-Q368 PolarHBondContact O-N 3.48Å; R366-Q368 VanDerWaalsContact O-N 3.14Å; Q368-T372 VanDerWaalsContact O-CB 3.32Å; Q368-T372 WeakPolarHBondContact O-CB 3.23Å; Q368-T372 PolarHBondContact O-N 3.45Å; Q368-T372 PolarHBondContact O-OG1 3.45Å; Q368-A423 HydrophobicContact CG-CB 4.4Å; Q368-A423 VanDerWaalsContact CG-O 3.23Å; Q368-A423 WeakPolarHBondContact CG-O 3.12Å; Q368-A423 PolarHBondContact NE2-O 3.26Å; Q368-M446 HydrophobicContact CB-CE 3.99Å; Q368-M446 HydrophobicContact CB-SD 4.04Å; Q368-M446 HydrophobicContact CG-SD 4.06Å
369E92.7Very high91.4Very high6 Ų661.1 Ų61.13%0.02833%0.333CS..Hα-helixtrans-65.4-42.2172.1-65.8177.8-123.200110.6W104 L106 R109 I365 R366 G373W104-E369 HydrophobicContact CB-CG 4.31Å; W104-E369 WeakPolarHBondContact O-CG 3.34Å; L106-E369 HydrophobicContact CD1-CB 4.33Å; R109-E369 IonicContact CZ-OE1 2.93Å; R109-E369 IonicContact CZ-OE2 3.83Å; R109-E369 IonicContact NE-OE1 2.81Å; R109-E369 IonicContact NE-OE2 3.92Å; R109-E369 PolarHBondContact NE-OE2 3.3Å; R109-E369 IonicContact NH2-OE1 2.88Å; R109-E369 PolarHBondContact NH2-OE1 3.27Å; R109-E369 IonicContact NH2-OE2 2.87Å; R109-E369 PolarHBondContact NH2-OE2 3.13Å; R109-E369 VanDerWaalsContact NH2-OE2 3.14Å; I365-E369 HydrophobicContact CG1-CB 4.03Å; R366-E369 HydrophobicContact CB-CG 4.24Å; R366-E369 PolarHBondContact N-OE1 2.93Å; R366-E369 VanDerWaalsContact N-OE1 3.15Å; R366-E369 WeakPolarHBondContact O-CB 3.42Å; R366-E369 PolarHBondContact O-N 2.89Å; E369-G373 PolarHBondContact O-N 3.21Å
370I92.7Very high91.6Very high79 Ų7958.7 Ų58.741%0.40533%0.326SS..Hα-helixtrans-64.7-48.5177.5-58.7175.2000109.8I365 R366 P367 T372 G373 M374I365-I370 HydrophobicContact CD1-CD1 4.47Å; I365-I370 HydrophobicContact CD1-CG1 3.77Å; I365-I370 HydrophobicContact CG1-CD1 4.49Å; I365-I370 HydrophobicContact CG1-CG1 3.92Å; I365-I370 HydrophobicContact CG2-CD1 4.21Å; R366-I370 PolarHBondContact O-N 3.35Å; P367-I370 PolarHBondContact O-N 3.43Å; I370-T372 PolarHBondContact O-N 2.96Å; I370-G373 CarbonylContact O-C 3.51Å; I370-G373 PolarHBondContact O-N 2.87Å; I370-M374 HydrophobicContact CG2-CE 4.19Å; I370-M374 HydrophobicContact CG2-CG 4.38Å; I370-M374 HydrophobicContact CG2-SD 4.36Å; I370-M374 WeakPolarHBondContact O-CG 3.44Å; I370-M374 PolarHBondContact O-N 2.83Å
371F93.7Very high91.7Very high44 Ų4456.3 Ų56.319%0.19332%0.32CS..Hα-helixtrans-59.3-48.1178.3-178.7-90.7000111.9P367 G373 M374 V375 F418 I421 M446P367-F371 PolarHBondContact O-N 3.3Å; F371-G373 VanDerWaalsContact C-N 3.29Å; F371-G373 PolarHBondContact O-N 3.37Å; F371-M374 HydrophobicContact CB-CE 4.43Å; F371-M374 HydrophobicContact CD2-CE 4.22Å; F371-M374 PolarHBondContact O-N 3.31Å; F371-M374 VanDerWaalsContact O-N 3.13Å; F371-V375 HydrophobicContact CD1-CG2 4.08Å; F371-V375 HydrophobicContact CE1-CG2 3.46Å; F371-V375 VanDerWaalsContact CE1-CG2 3.46Å; F371-V375 HydrophobicContact CE2-CG2 4.08Å; F371-V375 HydrophobicContact CZ-CG2 3.41Å; F371-V375 VanDerWaalsContact CZ-CG2 3.41Å; F371-V375 WeakPolarHBondContact O-CG2 3.27Å; F371-V375 PolarHBondContact O-N 3.16Å; F371-F418 HydrophobicContact CD1-CE1 4.32Å; F371-F418 HydrophobicContact CE1-CD1 4.2Å; F371-F418 HydrophobicContact CE1-CE1 4.06Å; F371-I421 HydrophobicContact CE1-CD1 4.12Å; F371-I421 HydrophobicContact CE2-CD1 3.6Å; F371-I421 HydrophobicContact CE2-CG2 4.37Å; F371-I421 HydrophobicContact CZ-CB 4.42Å; F371-I421 HydrophobicContact CZ-CD1 3.2Å; F371-I421 HydrophobicContact CZ-CG1 4.37Å; F371-I421 HydrophobicContact CZ-CG2 4.28Å; F371-M446 HydrophobicContact CB-CE 4.28Å; F371-M446 HydrophobicContact CD1-CE 3.47Å; F371-M446 VanDerWaalsContact CD1-CE 3.47Å; F371-M446 HydrophobicContact CD1-CG 4.18Å; F371-M446 HydrophobicContact CD1-SD 4.01Å; F371-M446 HydrophobicContact CE1-CE 4.29Å; F371-M446 HydrophobicContact CE1-CG 4.28Å; F371-M446 HydrophobicContact CG-CE 4.28Å
372T94.2Very high91.9Very high0 Ų054.7 Ų54.70%031%0.305CS..Hα-helixtrans-58.2-43.2175.4-57.60000111.1L97 S100 I101 L106 Q368 I370 M374 V375 F376 F418 M446L97-T372 HydrophobicContact CD1-CG2 4.48Å; S100-T372 PolarHBondContact OG-OG1 3.23Å; I101-T372 HydrophobicContact CB-CG2 4.46Å; I101-T372 HydrophobicContact CG1-CG2 3.61Å; L106-T372 HydrophobicContact CD2-CG2 4.06Å; Q368-T372 VanDerWaalsContact O-CB 3.32Å; Q368-T372 WeakPolarHBondContact O-CB 3.23Å; Q368-T372 PolarHBondContact O-N 3.45Å; Q368-T372 PolarHBondContact O-OG1 3.45Å; I370-T372 PolarHBondContact O-N 2.96Å; T372-M374 PolarHBondContact O-N 2.82Å; T372-V375 PolarHBondContact O-N 3.44Å; T372-F376 WeakPolarHBondContact O-CB 3.39Å; T372-F376 PolarHBondContact O-N 2.96Å; T372-F418 HydrophobicContact CG2-CE1 4.44Å; T372-F418 HydrophobicContact CG2-CZ 4.5Å; T372-M446 WeakPolarHBondContact OG1-CE 3.49Å
373G93.7Very high92Very high16 Ų1653.6 Ų53.617%0.16530%0.299CS..Hα-helixtrans-63.5-37.8175.600000113.6E369 I370 F371 F376 L377E369-G373 PolarHBondContact O-N 3.21Å; I370-G373 CarbonylContact O-C 3.51Å; I370-G373 PolarHBondContact O-N 2.87Å; F371-G373 VanDerWaalsContact C-N 3.29Å; F371-G373 PolarHBondContact O-N 3.37Å; G373-F376 WeakPolarHBondContact O-CB 3.43Å; G373-L377 WeakPolarHBondContact O-CB 3.37Å; G373-L377 VanDerWaalsContact O-CG 3.25Å; G373-L377 WeakPolarHBondContact O-CG 3.34Å; G373-L377 PolarHBondContact O-N 3.44Å
374M94.7Very high92Very high108 Ų10854.7 Ų54.753%0.53229%0.294SS..Hα-helixtrans-67.1-46.2175.4-71.4-171.8-60.900111.7I370 F371 T372 F376 L377 L378I370-M374 HydrophobicContact CG2-CE 4.19Å; I370-M374 HydrophobicContact CG2-CG 4.38Å; I370-M374 HydrophobicContact CG2-SD 4.36Å; I370-M374 WeakPolarHBondContact O-CG 3.44Å; I370-M374 PolarHBondContact O-N 2.83Å; F371-M374 HydrophobicContact CB-CE 4.43Å; F371-M374 HydrophobicContact CD2-CE 4.22Å; F371-M374 PolarHBondContact O-N 3.31Å; F371-M374 VanDerWaalsContact O-N 3.13Å; T372-M374 PolarHBondContact O-N 2.82Å; M374-F376 VanDerWaalsContact C-N 3.33Å; M374-F376 PolarHBondContact O-N 3.2Å; M374-L377 PolarHBondContact O-N 3.42Å; M374-L378 VanDerWaalsContact O-CB 3.28Å; M374-L378 WeakPolarHBondContact O-CB 3.48Å; M374-L378 PolarHBondContact O-N 2.99Å
375V94.8Very high91.9Very high7 Ų753.6 Ų53.64%0.04228%0.278CS..Hα-helixtrans-63.7-40.9176.5175.60000110.9F371 T372 L378 M379 L414 F418F371-V375 HydrophobicContact CD1-CG2 4.08Å; F371-V375 HydrophobicContact CE1-CG2 3.46Å; F371-V375 VanDerWaalsContact CE1-CG2 3.46Å; F371-V375 HydrophobicContact CE2-CG2 4.08Å; F371-V375 HydrophobicContact CZ-CG2 3.41Å; F371-V375 VanDerWaalsContact CZ-CG2 3.41Å; F371-V375 WeakPolarHBondContact O-CG2 3.27Å; F371-V375 PolarHBondContact O-N 3.16Å; T372-V375 PolarHBondContact O-N 3.44Å; V375-L378 PolarHBondContact O-N 3.33Å; V375-M379 WeakPolarHBondContact O-CB 3.43Å; V375-M379 PolarHBondContact O-N 3.03Å; V375-L414 HydrophobicContact CG1-CB 4.07Å; V375-L414 HydrophobicContact CG1-CD1 4.44Å; V375-F418 HydrophobicContact CB-CE1 4.42Å; V375-F418 HydrophobicContact CB-CE2 4.44Å; V375-F418 HydrophobicContact CB-CZ 3.82Å; V375-F418 HydrophobicContact CG1-CE1 4.47Å; V375-F418 HydrophobicContact CG1-CE2 3.68Å; V375-F418 HydrophobicContact CG1-CZ 3.55Å; V375-F418 HydrophobicContact CG2-CZ 4.34Å
376F93.1Very high91.8Very high27 Ų2750.9 Ų50.912%0.11826%0.262CS..Hα-helixtrans-56.2-52.9173.6174.6-100.5000111.9L97 I101 W139 T372 G373 M374 L378 M379 V380L97-F376 HydrophobicContact CD1-CB 4Å; L97-F376 HydrophobicContact CD1-CD2 4.28Å; L97-F376 HydrophobicContact CD2-CD2 3.74Å; L97-F376 HydrophobicContact CD2-CE2 4.43Å; L97-F376 HydrophobicContact CG-CD2 4.4Å; I101-F376 HydrophobicContact CD1-CD2 4.06Å; W139-F376 AromaticContact CD2-CE2 3.5Å; W139-F376 HydrophobicContact CD2-CE2 3.5Å; W139-F376 VanDerWaalsContact CD2-CE2 3.5Å; W139-F376 AromaticContact CD2-CZ 3.71Å; W139-F376 HydrophobicContact CD2-CZ 3.71Å; W139-F376 AromaticContact CE2-CE2 3.77Å; W139-F376 AromaticContact CE2-CZ 3.43Å; W139-F376 VanDerWaalsContact CE2-CZ 3.43Å; W139-F376 AromaticContact CE3-CE2 3.64Å; W139-F376 HydrophobicContact CE3-CE2 3.64Å; W139-F376 HydrophobicContact CE3-CZ 4.1Å; W139-F376 AromaticContact CG-CE2 3.92Å; W139-F376 HydrophobicContact CG-CE2 3.92Å; W139-F376 HydrophobicContact CG-CZ 4.25Å; W139-F376 HydrophobicContact CH2-CE2 4.24Å; W139-F376 AromaticContact CH2-CZ 3.96Å; W139-F376 HydrophobicContact CH2-CZ 3.96Å; W139-F376 HydrophobicContact CZ2-CE2 4.15Å; W139-F376 AromaticContact CZ2-CZ 3.58Å; W139-F376 HydrophobicContact CZ2-CZ 3.58Å; W139-F376 HydrophobicContact CZ3-CE2 4Å; W139-F376 HydrophobicContact CZ3-CZ 4.2Å; W139-F376 AromaticContact NE1-CZ 3.79Å; T372-F376 WeakPolarHBondContact O-CB 3.39Å; T372-F376 PolarHBondContact O-N 2.96Å; G373-F376 WeakPolarHBondContact O-CB 3.43Å; M374-F376 VanDerWaalsContact C-N 3.33Å; M374-F376 PolarHBondContact O-N 3.2Å; F376-L378 VanDerWaalsContact C-N 3.32Å; F376-L378 PolarHBondContact O-N 2.9Å; F376-M379 WeakPolarHBondContact O-CB 3.49Å; F376-M379 PolarHBondContact O-N 3.3Å; F376-V380 HydrophobicContact CE1-CG2 4.4Å; F376-V380 HydrophobicContact CE2-CG2 4.36Å; F376-V380 HydrophobicContact CZ-CG2 4.16Å; F376-V380 WeakPolarHBondContact O-CG2 3.2Å; F376-V380 PolarHBondContact O-N 3.22Å; F376-V380 VanDerWaalsContact O-N 3.09Å
377L93.4Very high91.4Very high105 Ų10546.2 Ų46.255%0.5525%0.251SS..Hα-helixtrans-63-40.7178.7-70.9173000111.6G373 M374 V380 L381G373-L377 WeakPolarHBondContact O-CB 3.37Å; G373-L377 VanDerWaalsContact O-CG 3.25Å; G373-L377 WeakPolarHBondContact O-CG 3.34Å; G373-L377 PolarHBondContact O-N 3.44Å; M374-L377 PolarHBondContact O-N 3.42Å; L377-V380 PolarHBondContact O-N 3.37Å; L377-L381 WeakPolarHBondContact O-CB 3.3Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.33Å
378L94.8Very high90.7Very high79 Ų7942.6 Ų42.641%0.41423%0.227SC..Hα-helixtrans-61.6-43.1176.2-178.962.4000111.6M374 V375 F376 L381 L382 L414M374-L378 VanDerWaalsContact O-CB 3.28Å; M374-L378 WeakPolarHBondContact O-CB 3.48Å; M374-L378 PolarHBondContact O-N 2.99Å; V375-L378 PolarHBondContact O-N 3.33Å; F376-L378 VanDerWaalsContact C-N 3.32Å; F376-L378 PolarHBondContact O-N 2.9Å; L378-L381 PolarHBondContact O-N 3.27Å; L378-L382 HydrophobicContact CD1-CD1 4.16Å; L378-L382 HydrophobicContact CD1-CG 4.19Å; L378-L382 HydrophobicContact CG-CD1 4.01Å; L378-L382 HydrophobicContact CG-CG 4.44Å; L378-L382 WeakPolarHBondContact O-CB 3.46Å; L378-L382 VanDerWaalsContact O-CG 3.31Å; L378-L382 WeakPolarHBondContact O-CG 3.32Å; L378-L382 PolarHBondContact O-N 3.36Å; L378-L414 HydrophobicContact CD2-CD2 3.87Å; L378-L414 HydrophobicContact CG-CD1 4.45Å; L378-L414 HydrophobicContact CG-CD2 4.45Å
379M92.4Very high89.7Confident3 Ų345.4 Ų45.42%0.01526%0.261CS..Hα-helixtrans-60.2-49.4177.3-168.5179.7-161.500111.4V94 L97 V375 F376 L381 L382 W383 A411 L414V94-M379 HydrophobicContact CG2-CE 4.05Å; L97-M379 HydrophobicContact CB-SD 4.45Å; L97-M379 HydrophobicContact CD2-SD 3.36Å; L97-M379 WeakPolarHBondContact CD2-SD 3.38Å; L97-M379 HydrophobicContact CG-SD 4.45Å; V375-M379 WeakPolarHBondContact O-CB 3.43Å; V375-M379 PolarHBondContact O-N 3.03Å; F376-M379 WeakPolarHBondContact O-CB 3.49Å; F376-M379 PolarHBondContact O-N 3.3Å; M379-L381 VanDerWaalsContact C-N 3.34Å; M379-L381 PolarHBondContact O-N 3.45Å; M379-L382 PolarHBondContact O-N 2.89Å; M379-W383 HydrophobicContact CE-CH2 3.46Å; M379-W383 VanDerWaalsContact CE-CH2 3.46Å; M379-W383 HydrophobicContact CE-CZ2 3.37Å; M379-W383 HydrophobicContact CE-CZ3 4.25Å; M379-W383 HydrophobicContact CG-CD2 4.24Å; M379-W383 HydrophobicContact CG-CE3 4.17Å; M379-W383 HydrophobicContact CG-CH2 4.28Å; M379-W383 HydrophobicContact CG-CZ2 4.31Å; M379-W383 HydrophobicContact CG-CZ3 4.19Å; M379-W383 PolarHBondContact O-N 3.15Å; M379-W383 HydrophobicContact SD-CH2 4Å; M379-W383 HydrophobicContact SD-CZ2 4.32Å; M379-W383 HydrophobicContact SD-CZ3 4.23Å; M379-A411 VanDerWaalsContact CE-CA 3.41Å; M379-A411 HydrophobicContact CE-CB 3.32Å; M379-L414 VanDerWaalsContact CA-CD1 3.41Å; M379-L414 HydrophobicContact CB-CD1 3.47Å; M379-L414 VanDerWaalsContact CB-CD1 3.47Å; M379-L414 HydrophobicContact CG-CD1 3.87Å
380V90.8Very high88.8Confident26 Ų2652.9 Ų52.916%0.15829%0.293CS..Hα-helixtrans-60.8-44.6177.61740000110.9W139 F376 L377 W383 L384W139-V380 HydrophobicContact CH2-CG2 3.73Å; W139-V380 HydrophobicContact CZ3-CG2 3.99Å; F376-V380 HydrophobicContact CE1-CG2 4.4Å; F376-V380 HydrophobicContact CE2-CG2 4.36Å; F376-V380 HydrophobicContact CZ-CG2 4.16Å; F376-V380 WeakPolarHBondContact O-CG2 3.2Å; F376-V380 PolarHBondContact O-N 3.22Å; F376-V380 VanDerWaalsContact O-N 3.09Å; L377-V380 PolarHBondContact O-N 3.37Å; V380-W383 PolarHBondContact O-N 3.29Å; V380-L384 HydrophobicContact CG1-CD1 3.92Å; V380-L384 HydrophobicContact CG1-CG 4.32Å; V380-L384 WeakPolarHBondContact O-CB 3.33Å; V380-L384 VanDerWaalsContact O-CG 3.29Å; V380-L384 WeakPolarHBondContact O-CG 3.39Å; V380-L384 PolarHBondContact O-N 2.91Å
381L91.5Very high88.2Confident102 Ų10254.4 Ų54.453%0.53430%0.3SS..Hα-helixtrans-62.4-45.1178-73.3171000111.8L377 L378 M379 L384 T385L377-L381 WeakPolarHBondContact O-CB 3.3Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.33Å; L378-L381 PolarHBondContact O-N 3.27Å; M379-L381 VanDerWaalsContact C-N 3.34Å; M379-L381 PolarHBondContact O-N 3.45Å; L381-L384 PolarHBondContact O-N 2.96Å; L381-T385 WeakPolarHBondContact O-CB 3.45Å; L381-T385 WeakPolarHBondContact O-CG2 3.38Å; L381-T385 PolarHBondContact O-N 2.66Å; L381-T385 PolarHBondContact O-OG1 3.5Å
382L91.8Very high87.5Confident45 Ų4557.5 Ų57.524%0.23632%0.324CS..Hα-helixtrans-63.8-41.1178.3-74.2173.8000111.8L378 M379 R386 W394 V410 L414L378-L382 HydrophobicContact CD1-CD1 4.16Å; L378-L382 HydrophobicContact CD1-CG 4.19Å; L378-L382 HydrophobicContact CG-CD1 4.01Å; L378-L382 HydrophobicContact CG-CG 4.44Å; L378-L382 WeakPolarHBondContact O-CB 3.46Å; L378-L382 VanDerWaalsContact O-CG 3.31Å; L378-L382 WeakPolarHBondContact O-CG 3.32Å; L378-L382 PolarHBondContact O-N 3.36Å; M379-L382 PolarHBondContact O-N 2.89Å; L382-R386 WeakPolarHBondContact O-CB 3.45Å; L382-R386 PolarHBondContact O-N 3.07Å; L382-W394 PolarHBondContact O-NE1 2.94Å; L382-V410 HydrophobicContact CB-CG1 3.62Å; L382-V410 HydrophobicContact CD1-CG1 3.91Å; L382-V410 HydrophobicContact CG-CG1 4.43Å; L382-L414 HydrophobicContact CD1-CD1 4.23Å
383W89.4Confident87.1Confident4 Ų458 Ų582%0.01533%0.329CS..Hα-helixtrans-63.9-46.8174.4-79.7-26000112.9L90 V94 F302 M379 V380 T385 R386 D407 A411L90-W383 HydrophobicContact CD1-CZ2 3.73Å; V94-W383 HydrophobicContact CG2-CH2 3.78Å; V94-W383 HydrophobicContact CG2-CZ2 4.17Å; F302-W383 HydrophobicContact CB-CB 3.91Å; F302-W383 HydrophobicContact CB-CD2 4.2Å; F302-W383 HydrophobicContact CB-CE3 4.47Å; F302-W383 HydrophobicContact CB-CG 4Å; F302-W383 HydrophobicContact CD1-CB 3.53Å; F302-W383 HydrophobicContact CD1-CD2 4.08Å; F302-W383 AromaticContact CD1-CE3 3.69Å; F302-W383 HydrophobicContact CD1-CE3 3.69Å; F302-W383 HydrophobicContact CD1-CG 4.1Å; F302-W383 AromaticContact CD2-CD2 3.87Å; F302-W383 HydrophobicContact CD2-CD2 3.87Å; F302-W383 AromaticContact CD2-CE3 3.38Å; F302-W383 HydrophobicContact CD2-CE3 3.38Å; F302-W383 HydrophobicContact CD2-CH2 4.17Å; F302-W383 AromaticContact CD2-CZ3 3.56Å; F302-W383 HydrophobicContact CD2-CZ3 3.56Å; F302-W383 HydrophobicContact CE1-CB 4.29Å; F302-W383 HydrophobicContact CE1-CD2 4.48Å; F302-W383 AromaticContact CE1-CE3 3.66Å; F302-W383 HydrophobicContact CE1-CE3 3.66Å; F302-W383 HydrophobicContact CE1-CZ3 4.33Å; F302-W383 HydrophobicContact CE2-CD2 4.29Å; F302-W383 AromaticContact CE2-CE3 3.35Å; F302-W383 HydrophobicContact CE2-CE3 3.35Å; F302-W383 HydrophobicContact CE2-CH2 4.12Å; F302-W383 AromaticContact CE2-CZ3 3.25Å; F302-W383 HydrophobicContact CE2-CZ3 3.25Å; F302-W383 HydrophobicContact CG-CB 3.82Å; F302-W383 AromaticContact CG-CD2 3.76Å; F302-W383 HydrophobicContact CG-CD2 3.76Å; F302-W383 AromaticContact CG-CE3 3.56Å; F302-W383 HydrophobicContact CG-CE3 3.56Å; F302-W383 AromaticContact CG-CG 3.94Å; F302-W383 HydrophobicContact CG-CG 3.94Å; F302-W383 HydrophobicContact CG-CZ3 4.23Å; F302-W383 AromaticContact CZ-CE3 3.5Å; F302-W383 HydrophobicContact CZ-CE3 3.5Å; F302-W383 VanDerWaalsContact CZ-CE3 3.5Å; F302-W383 AromaticContact CZ-CZ3 3.69Å; F302-W383 HydrophobicContact CZ-CZ3 3.69Å; M379-W383 HydrophobicContact CE-CH2 3.46Å; M379-W383 VanDerWaalsContact CE-CH2 3.46Å; M379-W383 HydrophobicContact CE-CZ2 3.37Å; M379-W383 HydrophobicContact CE-CZ3 4.25Å; M379-W383 HydrophobicContact CG-CD2 4.24Å; M379-W383 HydrophobicContact CG-CE3 4.17Å; M379-W383 HydrophobicContact CG-CH2 4.28Å; M379-W383 HydrophobicContact CG-CZ2 4.31Å; M379-W383 HydrophobicContact CG-CZ3 4.19Å; M379-W383 PolarHBondContact O-N 3.15Å; M379-W383 HydrophobicContact SD-CH2 4Å; M379-W383 HydrophobicContact SD-CZ2 4.32Å; M379-W383 HydrophobicContact SD-CZ3 4.23Å; V380-W383 PolarHBondContact O-N 3.29Å; W383-T385 VanDerWaalsContact C-N 3.3Å; W383-T385 PolarHBondContact O-N 2.97Å; W383-R386 PolarHBondContact O-N 3.11Å; W383-D407 VanDerWaalsContact CD1-OD1 3.29Å; W383-D407 PolarHBondContact NE1-O 3.36Å; W383-A411 HydrophobicContact CZ2-CB 4.02Å
384L87.8Confident86.8Confident66 Ų6659.9 Ų59.935%0.34633%0.332SS..Hα-helixtrans-64.6-34.2179.9-70.5179.1000112.9L306 V380 L381L306-L384 HydrophobicContact CD2-CD2 4.15Å; V380-L384 HydrophobicContact CG1-CD1 3.92Å; V380-L384 HydrophobicContact CG1-CG 4.32Å; V380-L384 WeakPolarHBondContact O-CB 3.33Å; V380-L384 VanDerWaalsContact O-CG 3.29Å; V380-L384 WeakPolarHBondContact O-CG 3.39Å; V380-L384 PolarHBondContact O-N 2.91Å; L381-L384 PolarHBondContact O-N 2.96Å
385T88.3Confident86.2Confident65 Ų6556.1 Ų56.140%0.39932%0.317SS..Hα-helixtrans-95-0.9-176.457.70000113.7L381 W383 G393 W394L381-T385 WeakPolarHBondContact O-CB 3.45Å; L381-T385 WeakPolarHBondContact O-CG2 3.38Å; L381-T385 PolarHBondContact O-N 2.66Å; L381-T385 PolarHBondContact O-OG1 3.5Å; W383-T385 VanDerWaalsContact C-N 3.3Å; W383-T385 PolarHBondContact O-N 2.97Å; T385-G393 CarbonylContact O-C 3.36Å; T385-G393 WeakPolarHBondContact O-CA 3.08Å; T385-W394 PolarHBondContact O-N 3.17Å; T385-W394 PolarHBondContact OG1-NE1 3.16Å
386R86.6Confident85.6Confident37 Ų3758.9 Ų58.914%0.1434%0.337CS..Hα-helixtrans-62-55.2-179.1-176.5177.469104.6-3.4111.8L382 W383 G393 W394 A395 I405 D407L382-R386 WeakPolarHBondContact O-CB 3.45Å; L382-R386 PolarHBondContact O-N 3.07Å; W383-R386 PolarHBondContact O-N 3.11Å; R386-G393 CarbonylContact O-C 3.52Å; R386-G393 WeakPolarHBondContact O-CA 3.32Å; R386-W394 HydrophobicContact CB-CZ2 3.74Å; R386-W394 HydrophobicContact CG-CH2 4.18Å; R386-W394 HydrophobicContact CG-CZ2 3.71Å; R386-A395 HydrophobicContact CG-CB 3.99Å; R386-A395 VanDerWaalsContact O-CB 3.26Å; R386-A395 WeakPolarHBondContact O-CB 3.19Å; R386-A395 PolarHBondContact O-N 2.89Å; R386-I405 PolarHBondContact NH1-O 3.34Å; R386-I405 VanDerWaalsContact NH1-O 3.07Å; R386-D407 IonicContact CZ-OD1 2.7Å; R386-D407 IonicContact CZ-OD2 3.85Å; R386-D407 IonicContact NE-OD1 2.84Å; R386-D407 PolarHBondContact NE-OD1 3.26Å; R386-D407 IonicContact NE-OD2 3.3Å; R386-D407 VanDerWaalsContact NH2-CG 3.29Å; R386-D407 IonicContact NH2-OD1 3.12Å; R386-D407 PolarHBondContact NH2-OD1 2.99Å; R386-D407 IonicContact NH2-OD2 3.36Å; R386-D407 PolarHBondContact NH2-OD2 2.88Å
387S80.6Confident85.2Confident40 Ų4063.8 Ų63.828%0.2836%0.364SS..SBendtrans-14869.5-178.657.30000109.6N301 G389N301-S387 PolarHBondContact ND2-O 3.41Å; N301-S387 PolarHBondContact ND2-OG 3.44Å; S387-G389 PolarHBondContact O-N 3.11Å; S387-G389 VanDerWaalsContact O-N 3.08Å
388P76.1Confident84.7Confident20 Ų2063.4 Ų63.413%0.1336%0.358CS..  trans-69.2-6.7-170.827.9-33.9000114.1F390 M391 G393P388-F390 HydrophobicContact CB-CD1 4.05Å; P388-F390 HydrophobicContact CB-CE1 3.56Å; P388-F390 HydrophobicContact CB-CZ 3.89Å; P388-F390 WeakPolarHBondContact O-CD1 3.37Å; P388-F390 PolarHBondContact O-N 3.38Å; P388-M391 HydrophobicContact CB-CG 4.49Å; P388-M391 HydrophobicContact CG-CG 3.6Å; P388-M391 WeakPolarHBondContact CG-O 3.42Å; P388-G393 VanDerWaalsContact CD-CA 3.41Å
389G71.2Confident83.4Confident75 Ų7564.1 Ų64.177%0.77337%0.367SS*.SBendtrans81.6-35174.600000115S387S387-G389 PolarHBondContact O-N 3.11Å; S387-G389 VanDerWaalsContact O-N 3.08Å
390F73.7Confident82.3Confident162 Ų16272.3 Ų72.371%0.71141%0.405SS*.SBendtrans-93.4-14.7178.760-93.1000114.5P388P388-F390 HydrophobicContact CB-CD1 4.05Å; P388-F390 HydrophobicContact CB-CE1 3.56Å; P388-F390 HydrophobicContact CB-CZ 3.89Å; P388-F390 WeakPolarHBondContact O-CD1 3.37Å; P388-F390 PolarHBondContact O-N 3.38Å
391M79.7Confident81.1Confident111 Ų11175.8 Ų75.855%0.54742%0.419SS..SBendtrans-144.9156.9175.460.5176.545.900109.4P388 G393P388-M391 HydrophobicContact CB-CG 4.49Å; P388-M391 HydrophobicContact CG-CG 3.6Å; P388-M391 WeakPolarHBondContact CG-O 3.42Å; M391-G393 PolarHBondContact O-N 2.53Å; M391-G393 VanDerWaalsContact O-N 3.07Å
392P79.3Confident79.5Confident109 Ų10975.6 Ų75.671%0.70843%0.427SS*.  trans-58.6116.5169.223.9-32.4000109.1
393G84.8Confident78.2Confident10 Ų1076.6 Ų76.610%0.10345%0.448CS..  trans-77.2173.217600000111.8T385 R386 P388 M391 A395 S396T385-G393 CarbonylContact O-C 3.36Å; T385-G393 WeakPolarHBondContact O-CA 3.08Å; R386-G393 CarbonylContact O-C 3.52Å; R386-G393 WeakPolarHBondContact O-CA 3.32Å; P388-G393 VanDerWaalsContact CD-CA 3.41Å; M391-G393 PolarHBondContact O-N 2.53Å; M391-G393 VanDerWaalsContact O-N 3.07Å; G393-A395 PolarHBondContact O-N 2.9Å; G393-S396 WeakPolarHBondContact O-CB 3.43Å; G393-S396 PolarHBondContact O-N 3.26Å; G393-S396 PolarHBondContact O-OG 2.98Å
394W87.6Confident77.5Confident57 Ų5784.9 Ų84.922%0.21648%0.48CS..G310 helixtrans-62.7-18.8-177.563.2-100.4000113.3L382 T385 R386 S396 L397 F398 I405 V410L382-W394 PolarHBondContact O-NE1 2.94Å; T385-W394 PolarHBondContact O-N 3.17Å; T385-W394 PolarHBondContact OG1-NE1 3.16Å; R386-W394 HydrophobicContact CB-CZ2 3.74Å; R386-W394 HydrophobicContact CG-CH2 4.18Å; R386-W394 HydrophobicContact CG-CZ2 3.71Å; W394-S396 PolarHBondContact O-N 3.02Å; W394-L397 HydrophobicContact CB-CD1 4.18Å; W394-L397 VanDerWaalsContact O-CB 3.25Å; W394-L397 WeakPolarHBondContact O-CB 3.47Å; W394-L397 WeakPolarHBondContact O-CG 3.18Å; W394-L397 PolarHBondContact O-N 3.06Å; W394-F398 HydrophobicContact CE3-CE2 4.4Å; W394-I405 HydrophobicContact CH2-CG2 3.54Å; W394-I405 HydrophobicContact CZ3-CD1 4.43Å; W394-I405 HydrophobicContact CZ3-CG2 3.75Å; W394-V410 HydrophobicContact CH2-CG2 3.66Å; W394-V410 HydrophobicContact CZ2-CG2 3.57Å
395A83.2Confident77.3Confident28 Ų2883.4 Ų83.423%0.23147%0.472CS..G310 helixtrans-60.3-26.4171.900000112.4R386 G393 L397 F398R386-A395 HydrophobicContact CG-CB 3.99Å; R386-A395 VanDerWaalsContact O-CB 3.26Å; R386-A395 WeakPolarHBondContact O-CB 3.19Å; R386-A395 PolarHBondContact O-N 2.89Å; G393-A395 PolarHBondContact O-N 2.9Å; A395-L397 PolarHBondContact O-N 3.25Å; A395-F398 PolarHBondContact O-N 3.29Å
396S82.4Confident77.1Confident65 Ų6581.9 Ų81.946%0.45546%0.463SS..G310 helixtrans-71.2-12.9176.878.10000113.5G393 W394 F398 P399G393-S396 WeakPolarHBondContact O-CB 3.43Å; G393-S396 PolarHBondContact O-N 3.26Å; G393-S396 PolarHBondContact O-OG 2.98Å; W394-S396 PolarHBondContact O-N 3.02Å; S396-F398 PolarHBondContact O-N 3.15Å; S396-P399 WeakPolarHBondContact O-CD 3.46Å
397L83.6Confident77.1Confident131 Ų13180.8 Ų80.869%0.68646%0.46SS*.G310 helixtrans-66.9-14.5171.7-62.9172.8000112W394 A395 P399W394-L397 HydrophobicContact CB-CD1 4.18Å; W394-L397 VanDerWaalsContact O-CB 3.25Å; W394-L397 WeakPolarHBondContact O-CB 3.47Å; W394-L397 WeakPolarHBondContact O-CG 3.18Å; W394-L397 PolarHBondContact O-N 3.06Å; A395-L397 PolarHBondContact O-N 3.25Å; L397-P399 WeakPolarHBondContact O-CD 3.48Å
398F83.1Confident77.4Confident97 Ų9779 Ų7943%0.42545%0.448SS..  trans-114.663.5176.7-56.3-82.9000111.1W394 A395 S396 H400 H401 I405W394-F398 HydrophobicContact CE3-CE2 4.4Å; A395-F398 PolarHBondContact O-N 3.29Å; S396-F398 PolarHBondContact O-N 3.15Å; F398-H400 VanDerWaalsContact C-N 3.29Å; F398-H400 PolarHBondContact O-N 3.16Å; F398-H401 HydrophobicContact CB-CB 4.24Å; F398-H401 CarbonylContact O-C 3.46Å; F398-H401 WeakPolarHBondContact O-CA 3.38Å; F398-H401 PolarHBondContact O-N 2.9Å; F398-I405 HydrophobicContact CB-CD1 4Å; F398-I405 HydrophobicContact CD2-CD1 3.53Å; F398-I405 HydrophobicContact CE2-CD1 4.14Å; F398-I405 HydrophobicContact CG-CD1 3.79Å
399P67.3Low78.1Confident93 Ų9381 Ų8160%0.60446%0.46SS*.G310 helixtrans-64.5-29.3-17124.5-32.9000113.7S396 L397 H401S396-P399 WeakPolarHBondContact O-CD 3.46Å; L397-P399 WeakPolarHBondContact O-CD 3.48Å; P399-H401 PolarHBondContact O-N 3.34Å
400H69.2Low79Confident175 Ų17577.8 Ų77.881%0.8143%0.425SS*.G310 helixtrans-73.2-7.9173.8-66.8-51.8000114.1F398F398-H400 VanDerWaalsContact C-N 3.29Å; F398-H400 PolarHBondContact O-N 3.16Å
401H65.1Low79.9Confident99 Ų9970 Ų7046%0.45839%0.391SS..G310 helixtrans-124.629.6-177-55.592000111.4F398 P399 G403 Y404F398-H401 HydrophobicContact CB-CB 4.24Å; F398-H401 CarbonylContact O-C 3.46Å; F398-H401 WeakPolarHBondContact O-CA 3.38Å; F398-H401 PolarHBondContact O-N 2.9Å; P399-H401 PolarHBondContact O-N 3.34Å; H401-G403 PolarHBondContact O-N 3.16Å; H401-G403 VanDerWaalsContact O-N 3.1Å; H401-Y404 HydrophobicContact CB-CD2 4.1Å; H401-Y404 HydrophobicContact CB-CG 4.27Å; H401-Y404 WeakPolarHBondContact O-CB 3.39Å; H401-Y404 WeakPolarHBondContact O-CD2 3.39Å; H401-Y404 PolarHBondContact O-N 3.35Å
402S57.9Low80.6Confident99 Ų9966.4 Ų66.469%0.69237%0.374SS*.THydrogen-bonded Turntrans-57.4119.1178.668.90000110.3
403G65.3Low81.3Confident66 Ų6666.6 Ų66.668%0.6837%0.368SS*.THydrogen-bonded Turntrans93.3-9.3-178.100000115.9H401H401-G403 PolarHBondContact O-N 3.16Å; H401-G403 VanDerWaalsContact O-N 3.1Å
404Y75.8Confident81.8Confident177 Ų17766.4 Ų66.469%0.69437%0.365SS*.THydrogen-bonded Turntrans-80.7-24.7176.9-72.4-106.6000113H401H401-Y404 HydrophobicContact CB-CD2 4.1Å; H401-Y404 HydrophobicContact CB-CG 4.27Å; H401-Y404 WeakPolarHBondContact O-CB 3.39Å; H401-Y404 WeakPolarHBondContact O-CD2 3.39Å; H401-Y404 PolarHBondContact O-N 3.35Å
405I82.7Confident82.1Confident35 Ų3563.8 Ų63.818%0.17936%0.355CS..  trans-100.6112.1-177.9-58.6168.7000109.2R386 W394 F398 T409R386-I405 PolarHBondContact NH1-O 3.34Å; R386-I405 VanDerWaalsContact NH1-O 3.07Å; W394-I405 HydrophobicContact CH2-CG2 3.54Å; W394-I405 HydrophobicContact CZ3-CD1 4.43Å; W394-I405 HydrophobicContact CZ3-CG2 3.75Å; F398-I405 HydrophobicContact CB-CD1 4Å; F398-I405 HydrophobicContact CD2-CD1 3.53Å; F398-I405 HydrophobicContact CE2-CD1 4.14Å; F398-I405 HydrophobicContact CG-CD1 3.79Å; I405-T409 HydrophobicContact CG2-CG2 4.5Å
406T84.8Confident82.7Confident33 Ų3367.8 Ų67.820%0.20237%0.368CS..  trans-109174.3-179690000111.3D86 A408 T409D86-T406 PolarHBondContact OD1-OG1 2.91Å; D86-T406 VanDerWaalsContact OD2-CB 3.24Å; D86-T406 WeakPolarHBondContact OD2-CB 3.45Å; D86-T406 WeakPolarHBondContact OD2-CG2 3.34Å; D86-T406 PolarHBondContact OD2-OG1 2.9Å; T406-A408 PolarHBondContact O-N 3.4Å; T406-A408 WeakPolarHBondContact OG1-CB 3.26Å; T406-A408 PolarHBondContact OG1-N 3.26Å; T406-T409 PolarHBondContact N-OG1 3.5Å; T406-T409 PolarHBondContact O-N 3.46Å
407D85Confident83.2Confident14 Ų1467.4 Ų67.48%0.07536%0.36CS..Hα-helixtrans-60.3-26.6171-68.7-33.7000111.3L90 F302 W383 R386 A411L90-D407 HydrophobicContact CD1-CB 4.19Å; F302-D407 PolarHBondContact N-OD2 3.37Å; F302-D407 VanDerWaalsContact N-OD2 3.12Å; W383-D407 VanDerWaalsContact CD1-OD1 3.29Å; W383-D407 PolarHBondContact NE1-O 3.36Å; R386-D407 IonicContact CZ-OD1 2.7Å; R386-D407 IonicContact CZ-OD2 3.85Å; R386-D407 IonicContact NE-OD1 2.84Å; R386-D407 PolarHBondContact NE-OD1 3.26Å; R386-D407 IonicContact NE-OD2 3.3Å; R386-D407 VanDerWaalsContact NH2-CG 3.29Å; R386-D407 IonicContact NH2-OD1 3.12Å; R386-D407 PolarHBondContact NH2-OD1 2.99Å; R386-D407 IonicContact NH2-OD2 3.36Å; R386-D407 PolarHBondContact NH2-OD2 2.88Å; D407-A411 PolarHBondContact O-N 3.29Å; D407-A411 VanDerWaalsContact O-N 3.16Å
408A88.3Confident83.7Confident3 Ų361.2 Ų61.23%0.02533%0.328CS..Hα-helixtrans-67.8-40.1175.700000112.3D86 F89 L90 T406 V410 A411 L412D86-A408 VanDerWaalsContact OD1-CB 3.29Å; D86-A408 WeakPolarHBondContact OD1-CB 3.24Å; D86-A408 WeakPolarHBondContact OD2-CB 3.29Å; F89-A408 HydrophobicContact CB-CB 4.14Å; L90-A408 HydrophobicContact CB-CB 3.76Å; T406-A408 PolarHBondContact O-N 3.4Å; T406-A408 WeakPolarHBondContact OG1-CB 3.26Å; T406-A408 PolarHBondContact OG1-N 3.26Å; A408-V410 VanDerWaalsContact C-N 3.32Å; A408-V410 PolarHBondContact O-N 3.29Å; A408-A411 PolarHBondContact O-N 2.93Å; A408-L412 VanDerWaalsContact O-CB 3.29Å; A408-L412 WeakPolarHBondContact O-CB 3.44Å; A408-L412 PolarHBondContact O-N 3.39Å
409T90Very high84.2Confident63 Ų6359.6 Ų59.639%0.38732%0.321SS..Hα-helixtrans-59.5-44.4178.1-43.40000111.4I405 T406 L413I405-T409 HydrophobicContact CG2-CG2 4.5Å; T406-T409 PolarHBondContact N-OG1 3.5Å; T406-T409 PolarHBondContact O-N 3.46Å; T409-L413 WeakPolarHBondContact O-CB 3.06Å; T409-L413 PolarHBondContact O-N 3.08Å
410V91.3Very high85.4Confident6 Ų661 Ų614%0.03632%0.322CS..Hα-helixtrans-62.4-47.9176.8177.30000110.6L382 W394 A408 L412 L413 L414L382-V410 HydrophobicContact CB-CG1 3.62Å; L382-V410 HydrophobicContact CD1-CG1 3.91Å; L382-V410 HydrophobicContact CG-CG1 4.43Å; W394-V410 HydrophobicContact CH2-CG2 3.66Å; W394-V410 HydrophobicContact CZ2-CG2 3.57Å; A408-V410 VanDerWaalsContact C-N 3.32Å; A408-V410 PolarHBondContact O-N 3.29Å; V410-L412 PolarHBondContact O-N 3.28Å; V410-L413 PolarHBondContact O-N 3.02Å; V410-L414 HydrophobicContact CG1-CD1 4.3Å; V410-L414 WeakPolarHBondContact O-CG 3.4Å; V410-L414 PolarHBondContact O-N 3.17Å; V410-L414 VanDerWaalsContact O-N 3.12Å
411A92.3Very high86.4Confident0 Ų055.1 Ų55.10%030%0.296CS..Hα-helixtrans-62.5-45.5-177.800000111.8L90 G93 M379 W383 D407 A408 G415L90-A411 HydrophobicContact CD1-CB 3.91Å; G93-A411 WeakPolarHBondContact CA-O 3.17Å; M379-A411 VanDerWaalsContact CE-CA 3.41Å; M379-A411 HydrophobicContact CE-CB 3.32Å; W383-A411 HydrophobicContact CZ2-CB 4.02Å; D407-A411 PolarHBondContact O-N 3.29Å; D407-A411 VanDerWaalsContact O-N 3.16Å; A408-A411 PolarHBondContact O-N 2.93Å; A411-G415 PolarHBondContact O-N 3.38Å
412L93.4Very high87.5Confident35 Ų3553.4 Ų53.418%0.18329%0.294CS..Hα-helixtrans-66-44.6-179.2-172.364.7000111.2F89 M92 A408 V410 L414 G415 F416F89-L412 HydrophobicContact CB-CD2 4.25Å; F89-L412 HydrophobicContact CD1-CD1 4.3Å; F89-L412 HydrophobicContact CD1-CD2 3.67Å; F89-L412 HydrophobicContact CE1-CD2 4.3Å; F89-L412 HydrophobicContact CG-CD2 4.16Å; M92-L412 HydrophobicContact CB-CD1 4.48Å; M92-L412 HydrophobicContact CG-CD1 4.11Å; M92-L412 HydrophobicContact SD-CD1 3.9Å; A408-L412 VanDerWaalsContact O-CB 3.29Å; A408-L412 WeakPolarHBondContact O-CB 3.44Å; A408-L412 PolarHBondContact O-N 3.39Å; V410-L412 PolarHBondContact O-N 3.28Å; L412-L414 PolarHBondContact O-N 2.99Å; L412-G415 PolarHBondContact O-N 2.72Å; L412-F416 HydrophobicContact CD1-CD2 4.04Å; L412-F416 HydrophobicContact CD1-CE2 3.61Å; L412-F416 HydrophobicContact CD1-CZ 4.37Å; L412-F416 HydrophobicContact CD2-CE2 3.96Å; L412-F416 HydrophobicContact CG-CD2 3.79Å; L412-F416 HydrophobicContact CG-CE2 3.5Å; L412-F416 WeakPolarHBondContact O-CD2 3.22Å; L412-F416 PolarHBondContact O-N 3.35Å
413L94.7Very high88.7Confident113 Ų11349 Ų4959%0.59226%0.263SS*.Hα-helixtrans-56.5-50.3177.1177.466.7000111.8T409 V410 F416 L417T409-L413 WeakPolarHBondContact O-CB 3.06Å; T409-L413 PolarHBondContact O-N 3.08Å; V410-L413 PolarHBondContact O-N 3.02Å; L413-F416 PolarHBondContact O-N 3.47Å; L413-L417 PolarHBondContact O-N 3.35Å
414L95.1Very high89.5Confident5 Ų550.5 Ų50.53%0.02625%0.252CS..Hα-helixtrans-71.3-32.8179-64.7-177.6000112.3V375 L378 M379 L382 V410 L412 F416 L417 F418V375-L414 HydrophobicContact CG1-CB 4.07Å; V375-L414 HydrophobicContact CG1-CD1 4.44Å; L378-L414 HydrophobicContact CD2-CD2 3.87Å; L378-L414 HydrophobicContact CG-CD1 4.45Å; L378-L414 HydrophobicContact CG-CD2 4.45Å; M379-L414 VanDerWaalsContact CA-CD1 3.41Å; M379-L414 HydrophobicContact CB-CD1 3.47Å; M379-L414 VanDerWaalsContact CB-CD1 3.47Å; M379-L414 HydrophobicContact CG-CD1 3.87Å; L382-L414 HydrophobicContact CD1-CD1 4.23Å; V410-L414 HydrophobicContact CG1-CD1 4.3Å; V410-L414 WeakPolarHBondContact O-CG 3.4Å; V410-L414 PolarHBondContact O-N 3.17Å; V410-L414 VanDerWaalsContact O-N 3.12Å; L412-L414 PolarHBondContact O-N 2.99Å; L414-F416 VanDerWaalsContact C-N 3.35Å; L414-L417 HydrophobicContact CD2-CD1 3.69Å; L414-L417 WeakPolarHBondContact O-CB 3.43Å; L414-L417 PolarHBondContact O-N 3.06Å; L414-F418 WeakPolarHBondContact O-CD2 3.46Å
415G94.3Very high89.1Confident2 Ų244.7 Ų44.72%0.02125%0.247CC..Hα-helixtrans-59.6-44.1172.200000112.2A411 L412 L417 F418A411-G415 PolarHBondContact O-N 3.38Å; L412-G415 PolarHBondContact O-N 2.72Å; G415-L417 VanDerWaalsContact C-N 3.27Å; G415-L417 PolarHBondContact O-N 3.4Å; G415-F418 PolarHBondContact O-N 3.49Å
416F94.4Very high88.1Confident112 Ų11249.5 Ų49.549%0.49128%0.28SS..Hα-helixtrans-60.8-33.8175.6-87.8-66.2000112.8L412 L413 L414 F418 F419 I420L412-F416 HydrophobicContact CD1-CD2 4.04Å; L412-F416 HydrophobicContact CD1-CE2 3.61Å; L412-F416 HydrophobicContact CD1-CZ 4.37Å; L412-F416 HydrophobicContact CD2-CE2 3.96Å; L412-F416 HydrophobicContact CG-CD2 3.79Å; L412-F416 HydrophobicContact CG-CE2 3.5Å; L412-F416 WeakPolarHBondContact O-CD2 3.22Å; L412-F416 PolarHBondContact O-N 3.35Å; L413-F416 PolarHBondContact O-N 3.47Å; L414-F416 VanDerWaalsContact C-N 3.35Å; F416-F418 PolarHBondContact O-N 3.47Å; F416-F419 PolarHBondContact O-N 3.37Å; F416-I420 WeakPolarHBondContact O-CG1 3.13Å; F416-I420 PolarHBondContact O-N 2.85Å
417L94.4Very high86.6Confident57 Ų5753.1 Ų53.130%0.29830%0.298SS..Hα-helixtrans-59.8-31.7177.8-66.1176.7000112.8L413 L414 G415 F419 I420 I421L413-L417 PolarHBondContact O-N 3.35Å; L414-L417 HydrophobicContact CD2-CD1 3.69Å; L414-L417 WeakPolarHBondContact O-CB 3.43Å; L414-L417 PolarHBondContact O-N 3.06Å; G415-L417 VanDerWaalsContact C-N 3.27Å; G415-L417 PolarHBondContact O-N 3.4Å; L417-F419 PolarHBondContact O-N 3.41Å; L417-I420 PolarHBondContact O-N 2.92Å; L417-I421 HydrophobicContact CB-CD1 4.19Å; L417-I421 WeakPolarHBondContact O-CB 3.5Å; L417-I421 PolarHBondContact O-N 3.01Å
418F94.4Very high84.8Confident1 Ų161.4 Ų61.40%0.00433%0.333CS..Hα-helixtrans-68.1-22.8177.5-69.6-69.4000113.5C96 L97 S100 F371 T372 V375 L414 G415 F416 M446 I447C96-F418 HydrophobicContact CB-CD2 4.2Å; L97-F418 HydrophobicContact CB-CE2 4.14Å; L97-F418 HydrophobicContact CD1-CE2 4.07Å; L97-F418 HydrophobicContact CD1-CZ 3.82Å; S100-F418 VanDerWaalsContact CB-CE1 3.48Å; S100-F418 WeakPolarHBondContact OG-CD1 3.23Å; S100-F418 WeakPolarHBondContact OG-CE1 3.4Å; F371-F418 HydrophobicContact CD1-CE1 4.32Å; F371-F418 HydrophobicContact CE1-CD1 4.2Å; F371-F418 HydrophobicContact CE1-CE1 4.06Å; T372-F418 HydrophobicContact CG2-CE1 4.44Å; T372-F418 HydrophobicContact CG2-CZ 4.5Å; V375-F418 HydrophobicContact CB-CE1 4.42Å; V375-F418 HydrophobicContact CB-CE2 4.44Å; V375-F418 HydrophobicContact CB-CZ 3.82Å; V375-F418 HydrophobicContact CG1-CE1 4.47Å; V375-F418 HydrophobicContact CG1-CE2 3.68Å; V375-F418 HydrophobicContact CG1-CZ 3.55Å; V375-F418 HydrophobicContact CG2-CZ 4.34Å; L414-F418 WeakPolarHBondContact O-CD2 3.46Å; G415-F418 PolarHBondContact O-N 3.49Å; F416-F418 PolarHBondContact O-N 3.47Å; F418-M446 HydrophobicContact CB-CB 4.24Å; F418-M446 HydrophobicContact CD1-CB 3.84Å; F418-M446 HydrophobicContact CD1-CE 4.34Å; F418-M446 HydrophobicContact CD1-CG 4.37Å; F418-M446 HydrophobicContact CE1-CE 4.34Å; F418-M446 WeakPolarHBondContact O-CB 3.34Å; F418-M446 PolarHBondContact O-N 3.42Å; F418-M446 VanDerWaalsContact O-N 3.16Å; F418-I447 HydrophobicContact CB-CD1 3.66Å; F418-I447 HydrophobicContact CB-CG1 3.74Å; F418-I447 HydrophobicContact CB-CG2 4.36Å; F418-I447 HydrophobicContact CG-CD1 4.48Å; F418-I447 PolarHBondContact O-N 2.9Å
419F93.3Very high82.7Confident64 Ų6469.7 Ų69.728%0.28137%0.369SS..Hα-helixtrans-87-20.7174.1-70.3-75.9000113.2F416 L417 A445 I447 F452F416-F419 PolarHBondContact O-N 3.37Å; L417-F419 PolarHBondContact O-N 3.41Å; F419-A445 WeakPolarHBondContact O-CB 3.5Å; F419-I447 HydrophobicContact CD1-CG1 4.04Å; F419-I447 HydrophobicContact CD2-CD1 4.26Å; F419-I447 HydrophobicContact CD2-CG1 4.38Å; F419-I447 HydrophobicContact CE1-CD1 4.2Å; F419-I447 HydrophobicContact CE1-CG1 3.81Å; F419-I447 HydrophobicContact CE2-CD1 3.78Å; F419-I447 HydrophobicContact CE2-CG1 4.18Å; F419-I447 HydrophobicContact CG-CG1 4.32Å; F419-I447 HydrophobicContact CZ-CD1 3.74Å; F419-I447 HydrophobicContact CZ-CG1 3.89Å; F419-F452 HydrophobicContact CZ-CB 3.89Å; F419-F452 HydrophobicContact CZ-CG 4.13Å
420I91.5Very high80.6Confident123 Ų12375 Ų7563%0.63138%0.383SS*.Hα-helixtrans-92-40-175.9-64.2168.6000111.2F416 L417F416-I420 WeakPolarHBondContact O-CG1 3.13Å; F416-I420 PolarHBondContact O-N 2.85Å; L417-I420 PolarHBondContact O-N 2.92Å
421I90.5Very high78.2Confident50 Ų5082.5 Ų82.526%0.25642%0.418SS..SBendtrans-83126.4-170.9-68.1168.3000109.9F371 L417 M446F371-I421 HydrophobicContact CE1-CD1 4.12Å; F371-I421 HydrophobicContact CE2-CD1 3.6Å; F371-I421 HydrophobicContact CE2-CG2 4.37Å; F371-I421 HydrophobicContact CZ-CB 4.42Å; F371-I421 HydrophobicContact CZ-CD1 3.2Å; F371-I421 HydrophobicContact CZ-CG1 4.37Å; F371-I421 HydrophobicContact CZ-CG2 4.28Å; L417-I421 HydrophobicContact CB-CD1 4.19Å; L417-I421 WeakPolarHBondContact O-CB 3.5Å; L417-I421 PolarHBondContact O-N 3.01Å; I421-M446 HydrophobicContact CB-CG 4.44Å; I421-M446 HydrophobicContact CG2-CG 4.31Å; I421-M446 WeakPolarHBondContact O-CG 3.48Å; I421-M446 PolarHBondContact O-N 3.08Å
422P87.9Confident75.8Confident64 Ų6488.5 Ų88.542%0.41645%0.454SS..BIsolated β-bridgetrans-69135.3178.628.9-34.5000110.4H424 T443P422-H424 PolarHBondContact O-N 3.1Å; P422-T443 HydrophobicContact CB-CG2 3.83Å
423A84.1Confident73.2Confident6 Ų693.6 Ų93.65%0.0549%0.487CS..SBendtrans-66.6-27.1178.300000112.7W104 Q368 E444 M446W104-A423 HydrophobicContact CH2-CB 3.7Å; W104-A423 HydrophobicContact CZ2-CB 3.53Å; Q368-A423 HydrophobicContact CG-CB 4.4Å; Q368-A423 VanDerWaalsContact CG-O 3.23Å; Q368-A423 WeakPolarHBondContact CG-O 3.12Å; Q368-A423 PolarHBondContact NE2-O 3.26Å; A423-E444 WeakPolarHBondContact CB-O 3.41Å; A423-E444 PolarHBondContact N-O 3.04Å; A423-M446 HydrophobicContact CB-SD 4.38Å
424H80.8Confident70.6Confident97 Ų9791.2 Ų91.245%0.44948%0.484SS..SBendtrans-118.5135179.3-59.489.1000109.2P422P422-H424 PolarHBondContact O-N 3.1Å
425G68.3Low67.9Low56 Ų5695.6 Ų95.658%0.57752%0.521SS*.  trans-63165.1173.800000111.7D427G425-D427 VanDerWaalsContact C-N 3.3Å; G425-D427 PolarHBondContact O-N 3.01Å
426P61.3Low65.3Low135 Ų135101.5 Ų101.588%0.87756%0.556SS**  trans-67.788.9174.328.2-32.8000109.3K428P426-K428 PolarHBondContact O-N 3.47Å
427D52.4Low62.6Low109 Ų109104.4 Ų104.458%0.58357%0.574SS**  trans-82.6110.2-177.3-151.8-2.7000110.1G425 K429G425-D427 VanDerWaalsContact C-N 3.3Å; G425-D427 PolarHBondContact O-N 3.01Å; D427-K429 PolarHBondContact O-N 3.15Å
428K48Very low59.7Low188 Ų188106.2 Ų106.282%0.81759%0.591SS**THydrogen-bonded Turntrans-66.62.6178.3-80.6-176.3173.2-179.10114.4P426P426-K428 PolarHBondContact O-N 3.47Å
429K45Very low57Low177 Ų177115.2 Ų115.277%0.7763%0.632SS**THydrogen-bonded Turntrans-96.6-7.3-175.6-85.3-176.3176.3179.10115.6D427D427-K429 PolarHBondContact O-N 3.15Å
430Y45.3Very low54.3Low175 Ų175116.6 Ų116.669%0.68665%0.65SS**SBendtrans-96.37.3179-84.4-85.8000114.3
431E41.1Very low52Low163 Ų163120 Ų12076%0.76266%0.66SS**THydrogen-bonded Turntrans-85.8-7.9-171.4-144.6169.3-167.100114.3
432T41Very low50.1Low126 Ų126124.2 Ų124.277%0.77368%0.683SS**THydrogen-bonded Turntrans-116.30.7-170.110.70000117.7
433T39.2Very low48.8Very low142 Ų142126.4 Ų126.487%0.87170%0.696SS**THydrogen-bonded Turntrans-144.4-4.8175.1350000116.3
434A39.6Very low48.6Very low63 Ų63130.6 Ų130.652%0.52171%0.714SS.*  trans-10612.6-175.500000114.5V436A434-V436 PolarHBondContact O-N 3.05Å; A434-V436 VanDerWaalsContact O-N 3.17Å
435A39Very low49.1Very low97 Ų97127.1 Ų127.180%0.80270%0.702SS**THydrogen-bonded Turntrans-77.87.9-174.100000115.3
436V39.2Very low50.2Low126 Ų126124.6 Ų124.676%0.76468%0.676SS**THydrogen-bonded Turntrans-120.6-14.9-171.6-176.40000115A434A434-V436 PolarHBondContact O-N 3.05Å; A434-V436 VanDerWaalsContact O-N 3.17Å
437M38.5Very low51.7Low174 Ų174118.3 Ų118.386%0.85764%0.635SS**SBendtrans-151.772.5-176.9-66.2-176.4-159.900114.6
438S33.5Very low53.6Low95 Ų95114.9 Ų114.966%0.66462%0.619SS**  trans-172.8123.8140.862.60000110.9
439H37.1Very low55.7Low189 Ų189111.7 Ų111.788%0.87560%0.602SS**SBendtrans-55134159.1-89.2-82.7000110.3
440S36.6Very low58Low94 Ų94109.6 Ų109.666%0.65760%0.595SS**  trans48.581.4163.969.50000117.3
441K43.8Very low60.2Low194 Ų194104 Ų10484%0.84358%0.575SS**  trans-10572147.1-112.2-175.8178.8-177.90107.7
442D49.6Very low62.7Low138 Ų13896.3 Ų96.374%0.73854%0.539SS*.  trans-53.9139.8162.7-68.6-42.3000107.8E444D442-E444 PolarHBondContact O-N 3.32Å
443T61.2Low65.2Low110 Ų11094.9 Ų94.968%0.67552%0.524SS*.  trans-42.9104.4176.70.70000110.1P422 A445P422-T443 HydrophobicContact CB-CG2 3.83Å; T443-A445 PolarHBondContact O-N 3.32Å; T443-A445 VanDerWaalsContact O-N 3.13Å
444E80.5Confident67.6Low94 Ų9492.2 Ų92.244%0.43952%0.516SS..  trans-60.6119.7-177.1-167.7-172.8160.400108.3K103 A423 D442K103-E444 WeakPolarHBondContact CE-OE1 3.39Å; K103-E444 IonicContact NZ-OE1 3.54Å; K103-E444 PolarHBondContact NZ-OE1 3.47Å; A423-E444 WeakPolarHBondContact CB-O 3.41Å; A423-E444 PolarHBondContact N-O 3.04Å; D442-E444 PolarHBondContact O-N 3.32Å
445A90.1Very high69.8Low24 Ų2492 Ų9220%0.19851%0.506CS..BIsolated β-bridgetrans-65167.1175.200000110.9F419 T443 I447F419-A445 WeakPolarHBondContact O-CB 3.5Å; T443-A445 PolarHBondContact O-N 3.32Å; T443-A445 VanDerWaalsContact O-N 3.13Å; A445-I447 PolarHBondContact O-N 2.92Å
446M91.8Very high72.2Confident4 Ų488 Ų882%0.0247%0.471CS..SBendtrans-56.2-36.2177.6-70.9-76.2-62.700112.2K103 W104 Q368 F371 T372 F418 I421 A423K103-M446 WeakPolarHBondContact CD-O 3.17Å; W104-M446 PolarHBondContact NE1-O 3.08Å; W104-M446 VanDerWaalsContact NE1-O 3.09Å; Q368-M446 HydrophobicContact CB-CE 3.99Å; Q368-M446 HydrophobicContact CB-SD 4.04Å; Q368-M446 HydrophobicContact CG-SD 4.06Å; F371-M446 HydrophobicContact CB-CE 4.28Å; F371-M446 HydrophobicContact CD1-CE 3.47Å; F371-M446 VanDerWaalsContact CD1-CE 3.47Å; F371-M446 HydrophobicContact CD1-CG 4.18Å; F371-M446 HydrophobicContact CD1-SD 4.01Å; F371-M446 HydrophobicContact CE1-CE 4.29Å; F371-M446 HydrophobicContact CE1-CG 4.28Å; F371-M446 HydrophobicContact CG-CE 4.28Å; T372-M446 WeakPolarHBondContact OG1-CE 3.49Å; F418-M446 HydrophobicContact CB-CB 4.24Å; F418-M446 HydrophobicContact CD1-CB 3.84Å; F418-M446 HydrophobicContact CD1-CE 4.34Å; F418-M446 HydrophobicContact CD1-CG 4.37Å; F418-M446 HydrophobicContact CE1-CE 4.34Å; F418-M446 WeakPolarHBondContact O-CB 3.34Å; F418-M446 PolarHBondContact O-N 3.42Å; F418-M446 VanDerWaalsContact O-N 3.16Å; I421-M446 HydrophobicContact CB-CG 4.44Å; I421-M446 HydrophobicContact CG2-CG 4.31Å; I421-M446 WeakPolarHBondContact O-CG 3.48Å; I421-M446 PolarHBondContact O-N 3.08Å; A423-M446 HydrophobicContact CB-SD 4.38Å
447I93.7Very high74.4Confident2 Ų283.2 Ų83.21%0.0144%0.442CS..SBendtrans-136.7149.9170.270-176.4000110.6C96 T99 F418 F419 A445C96-I447 HydrophobicContact CB-CD1 3.7Å; T99-I447 HydrophobicContact CG2-CB 4.15Å; T99-I447 HydrophobicContact CG2-CG2 3.86Å; F418-I447 HydrophobicContact CB-CD1 3.66Å; F418-I447 HydrophobicContact CB-CG1 3.74Å; F418-I447 HydrophobicContact CB-CG2 4.36Å; F418-I447 HydrophobicContact CG-CD1 4.48Å; F418-I447 PolarHBondContact O-N 2.9Å; F419-I447 HydrophobicContact CD1-CG1 4.04Å; F419-I447 HydrophobicContact CD2-CD1 4.26Å; F419-I447 HydrophobicContact CD2-CG1 4.38Å; F419-I447 HydrophobicContact CE1-CD1 4.2Å; F419-I447 HydrophobicContact CE1-CG1 3.81Å; F419-I447 HydrophobicContact CE2-CD1 3.78Å; F419-I447 HydrophobicContact CE2-CG1 4.18Å; F419-I447 HydrophobicContact CG-CG1 4.32Å; F419-I447 HydrophobicContact CZ-CD1 3.74Å; F419-I447 HydrophobicContact CZ-CG1 3.89Å; A445-I447 PolarHBondContact O-N 2.92Å
448S92.3Very high76.8Confident37 Ų3780.8 Ų80.826%0.25942%0.424SS..  trans-96.9162.8171.761.60000111.9E450 E451 F452S448-E450 VanDerWaalsContact C-N 3.28Å; S448-E450 PolarHBondContact O-N 2.8Å; S448-E451 WeakPolarHBondContact CB-OE2 3.41Å; S448-E451 PolarHBondContact N-OE2 2.88Å; S448-E451 PolarHBondContact O-N 3.28Å; S448-E451 WeakPolarHBondContact OG-CB 3.44Å; S448-E451 WeakPolarHBondContact OG-CG 3.48Å; S448-E451 PolarHBondContact OG-N 3.42Å; S448-E451 PolarHBondContact OG-OE2 3.32Å; S448-F452 PolarHBondContact O-N 2.81Å; S448-F452 VanDerWaalsContact O-N 3.09Å
449W91.9Very high79.3Confident122 Ų12283.9 Ų83.946%0.46243%0.425SS..Hα-helixtrans-64.3-37.6176.8175-100.1000111.2F452 Q453W449-F452 HydrophobicContact CD2-CD1 4.44Å; W449-F452 AromaticContact CE3-CD1 3.81Å; W449-F452 HydrophobicContact CE3-CD1 3.81Å; W449-F452 HydrophobicContact CE3-CE1 4.33Å; W449-F452 HydrophobicContact CH2-CD1 4.1Å; W449-F452 AromaticContact CH2-CE1 3.88Å; W449-F452 HydrophobicContact CH2-CE1 3.88Å; W449-F452 AromaticContact CZ3-CD1 3.62Å; W449-F452 HydrophobicContact CZ3-CD1 3.62Å; W449-F452 AromaticContact CZ3-CE1 3.67Å; W449-F452 HydrophobicContact CZ3-CE1 3.67Å; W449-F452 PolarHBondContact O-N 3.38Å; W449-Q453 WeakPolarHBondContact O-CB 3.23Å; W449-Q453 PolarHBondContact O-N 3.06Å
450E92.4Very high81.4Confident132 Ų13275.9 Ų75.962%0.61739%0.39SS*.Hα-helixtrans-63.5-42.8178.9-64.971.2-157.200111.4S448 Q453 A454S448-E450 VanDerWaalsContact C-N 3.28Å; S448-E450 PolarHBondContact O-N 2.8Å; E450-Q453 PolarHBondContact O-N 3.36Å; E450-A454 WeakPolarHBondContact O-CB 3.18Å; E450-A454 PolarHBondContact O-N 3.09Å
451E92.1Very high83.7Confident58 Ų5871.7 Ų71.727%0.27136%0.36SS..Hα-helixtrans-64-46.5175.6-73.1164.3148.600111.4T99 K103 S448 A454 L455T99-E451 HydrophobicContact CG2-CB 3.83Å; K103-E451 VanDerWaalsContact CD-OE1 3.23Å; K103-E451 WeakPolarHBondContact CD-OE1 2.94Å; K103-E451 WeakPolarHBondContact CE-OE1 3.25Å; K103-E451 VanDerWaalsContact NZ-CD 3.32Å; K103-E451 IonicContact NZ-OE1 3.78Å; K103-E451 PolarHBondContact NZ-OE1 2.78Å; K103-E451 IonicContact NZ-OE2 2.95Å; K103-E451 PolarHBondContact NZ-OE2 2.79Å; S448-E451 WeakPolarHBondContact CB-OE2 3.41Å; S448-E451 PolarHBondContact N-OE2 2.88Å; S448-E451 PolarHBondContact O-N 3.28Å; S448-E451 WeakPolarHBondContact OG-CB 3.44Å; S448-E451 WeakPolarHBondContact OG-CG 3.48Å; S448-E451 PolarHBondContact OG-N 3.42Å; S448-E451 PolarHBondContact OG-OE2 3.32Å; E451-A454 PolarHBondContact O-N 2.9Å; E451-L455 PolarHBondContact O-N 3.02Å
452F92.6Very high85.8Confident1 Ų165.5 Ų65.50%0.00434%0.336CS..Hα-helixtrans-60-48.5175.6166-98000111.6M92 I95 F419 S448 W449 A454 L455 M456M92-F452 HydrophobicContact CB-CZ 4.31Å; M92-F452 HydrophobicContact CE-CE1 3.93Å; M92-F452 HydrophobicContact CE-CZ 3.74Å; M92-F452 HydrophobicContact CG-CE2 3.97Å; M92-F452 HydrophobicContact CG-CZ 3.7Å; I95-F452 HydrophobicContact CB-CD2 4.4Å; I95-F452 HydrophobicContact CB-CE2 3.97Å; I95-F452 HydrophobicContact CG2-CD2 3.77Å; I95-F452 HydrophobicContact CG2-CE2 3.72Å; F419-F452 HydrophobicContact CZ-CB 3.89Å; F419-F452 HydrophobicContact CZ-CG 4.13Å; S448-F452 PolarHBondContact O-N 2.81Å; S448-F452 VanDerWaalsContact O-N 3.09Å; W449-F452 HydrophobicContact CD2-CD1 4.44Å; W449-F452 AromaticContact CE3-CD1 3.81Å; W449-F452 HydrophobicContact CE3-CD1 3.81Å; W449-F452 HydrophobicContact CE3-CE1 4.33Å; W449-F452 HydrophobicContact CH2-CD1 4.1Å; W449-F452 AromaticContact CH2-CE1 3.88Å; W449-F452 HydrophobicContact CH2-CE1 3.88Å; W449-F452 AromaticContact CZ3-CD1 3.62Å; W449-F452 HydrophobicContact CZ3-CD1 3.62Å; W449-F452 AromaticContact CZ3-CE1 3.67Å; W449-F452 HydrophobicContact CZ3-CE1 3.67Å; W449-F452 PolarHBondContact O-N 3.38Å; F452-A454 VanDerWaalsContact C-N 3.26Å; F452-A454 PolarHBondContact O-N 2.68Å; F452-L455 PolarHBondContact O-N 3.4Å; F452-M456 HydrophobicContact CE2-SD 4.27Å; F452-M456 HydrophobicContact CZ-CB 4.37Å; F452-M456 HydrophobicContact CZ-CG 4.27Å; F452-M456 HydrophobicContact CZ-SD 3.9Å; F452-M456 WeakPolarHBondContact O-CB 3.22Å; F452-M456 PolarHBondContact O-N 3.46Å
453Q94Very high87.6Confident97 Ų9759.1 Ų59.145%0.45330%0.302SS..Hα-helixtrans-61.2-36.2-178.8179.3-178.3-33.500111.8W449 E450 W458W449-Q453 WeakPolarHBondContact O-CB 3.23Å; W449-Q453 PolarHBondContact O-N 3.06Å; E450-Q453 PolarHBondContact O-N 3.36Å; Q453-W458 PolarHBondContact O-NE1 3.46Å
454A90.1Very high88.5Confident86 Ų8653.9 Ų53.971%0.71127%0.27SS*.Hα-helixtrans-68.5-35178.900000112.9E450 E451 F452E450-A454 WeakPolarHBondContact O-CB 3.18Å; E450-A454 PolarHBondContact O-N 3.09Å; E451-A454 PolarHBondContact O-N 2.9Å; F452-A454 VanDerWaalsContact C-N 3.26Å; F452-A454 PolarHBondContact O-N 2.68Å
455L86.7Confident88.7Confident57 Ų5749.4 Ų49.430%0.29825%0.249SC..Hα-helixtrans-91.2-16.1180-73.8169.8000113.8I95 T99 E102 E451 F452 P457I95-L455 HydrophobicContact CG2-CB 4.26Å; T99-L455 HydrophobicContact CG2-CD1 3.81Å; T99-L455 WeakPolarHBondContact OG1-CD1 3.25Å; E102-L455 WeakPolarHBondContact OE2-CD2 3.32Å; E451-L455 PolarHBondContact O-N 3.02Å; F452-L455 PolarHBondContact O-N 3.4Å; L455-P457 WeakPolarHBondContact O-CD 3.45Å
456M88.6Confident88.6Confident14 Ų1448.3 Ų48.37%0.06924%0.24CC..  trans-62.9122.1178.6-17664.2-178.700111.6L91 I95 F452 W458 A461L91-M456 HydrophobicContact CB-CE 4.49Å; L91-M456 HydrophobicContact CD2-CE 3.5Å; L91-M456 VanDerWaalsContact CD2-CE 3.5Å; L91-M456 HydrophobicContact CD2-SD 4.34Å; L91-M456 HydrophobicContact CG-CE 3.77Å; L91-M456 HydrophobicContact CG-SD 4.19Å; I95-M456 HydrophobicContact CB-SD 4.3Å; I95-M456 HydrophobicContact CG1-SD 3.99Å; I95-M456 HydrophobicContact CG2-CB 4.4Å; I95-M456 HydrophobicContact CG2-SD 4.37Å; F452-M456 HydrophobicContact CE2-SD 4.27Å; F452-M456 HydrophobicContact CZ-CB 4.37Å; F452-M456 HydrophobicContact CZ-CG 4.27Å; F452-M456 HydrophobicContact CZ-SD 3.9Å; F452-M456 WeakPolarHBondContact O-CB 3.22Å; F452-M456 PolarHBondContact O-N 3.46Å; M456-W458 VanDerWaalsContact C-N 3.27Å; M456-W458 HydrophobicContact CB-CD2 4.5Å; M456-W458 HydrophobicContact CB-CZ2 4.12Å; M456-W458 HydrophobicContact CG-CD2 3.85Å; M456-W458 HydrophobicContact CG-CE3 4.26Å; M456-W458 HydrophobicContact CG-CG 4.33Å; M456-W458 HydrophobicContact CG-CH2 4.16Å; M456-W458 HydrophobicContact CG-CZ2 3.73Å; M456-W458 HydrophobicContact CG-CZ3 4.4Å; M456-W458 PolarHBondContact O-N 3.35Å; M456-A461 HydrophobicContact CE-CB 4.49Å
457P85.4Confident88.3Confident25 Ų2548.3 Ų48.316%0.16224%0.241CC..  trans-82.670.1-178.534.1-35.1000111L91 I95 L455 K459 V460 A461L91-P457 HydrophobicContact CD1-CG 3.97Å; L91-P457 HydrophobicContact CD2-CG 4.18Å; L91-P457 HydrophobicContact CG-CG 4.47Å; I95-P457 HydrophobicContact CD1-CG 4.22Å; L455-P457 WeakPolarHBondContact O-CD 3.45Å; P457-K459 PolarHBondContact O-N 3.21Å; P457-K459 VanDerWaalsContact O-N 3.08Å; P457-V460 HydrophobicContact CB-CB 4.16Å; P457-V460 HydrophobicContact CB-CG2 4.09Å; P457-V460 HydrophobicContact CG-CB 4.49Å; P457-V460 WeakPolarHBondContact O-CA 3.33Å; P457-V460 WeakPolarHBondContact O-CB 3.48Å; P457-V460 PolarHBondContact O-N 3.21Å; P457-A461 PolarHBondContact O-N 3.37Å; P457-A461 VanDerWaalsContact O-N 3.08Å
458W88.8Confident87.8Confident124 Ų12448.3 Ų48.347%0.4724%0.241SC..Hα-helixtrans-52.3-34.2-179.8-62.4104.2000113.6Q453 M456 V460 A461 L462Q453-W458 PolarHBondContact O-NE1 3.46Å; M456-W458 VanDerWaalsContact C-N 3.27Å; M456-W458 HydrophobicContact CB-CD2 4.5Å; M456-W458 HydrophobicContact CB-CZ2 4.12Å; M456-W458 HydrophobicContact CG-CD2 3.85Å; M456-W458 HydrophobicContact CG-CE3 4.26Å; M456-W458 HydrophobicContact CG-CG 4.33Å; M456-W458 HydrophobicContact CG-CH2 4.16Å; M456-W458 HydrophobicContact CG-CZ2 3.73Å; M456-W458 HydrophobicContact CG-CZ3 4.4Å; M456-W458 PolarHBondContact O-N 3.35Å; W458-V460 VanDerWaalsContact C-N 3.33Å; W458-V460 PolarHBondContact O-N 3.09Å; W458-A461 PolarHBondContact O-N 3.34Å; W458-L462 PolarHBondContact O-N 3.25Å
459K85.4Confident87.8Confident159 Ų15946.5 Ų46.569%0.69123%0.228SC*.Hα-helixtrans-60.2-43.5175.4-67-178.1-179.1177.70111.8P457 L463P457-K459 PolarHBondContact O-N 3.21Å; P457-K459 VanDerWaalsContact O-N 3.08Å; K459-L463 WeakPolarHBondContact O-CB 3.39Å; K459-L463 PolarHBondContact O-N 2.87Å
460V81Confident87.6Confident22 Ų2240.8 Ų40.813%0.13321%0.207CC..Hα-helixtrans-70.2-46.3178.7177.20000109.5P457 W458 L462 L463 V464P457-V460 HydrophobicContact CB-CB 4.16Å; P457-V460 HydrophobicContact CB-CG2 4.09Å; P457-V460 HydrophobicContact CG-CB 4.49Å; P457-V460 WeakPolarHBondContact O-CA 3.33Å; P457-V460 WeakPolarHBondContact O-CB 3.48Å; P457-V460 PolarHBondContact O-N 3.21Å; W458-V460 VanDerWaalsContact C-N 3.33Å; W458-V460 PolarHBondContact O-N 3.09Å; V460-L462 VanDerWaalsContact C-N 3.34Å; V460-L462 PolarHBondContact O-N 3.06Å; V460-L463 PolarHBondContact O-N 3.42Å; V460-L463 VanDerWaalsContact O-N 3.15Å; V460-V464 HydrophobicContact CG1-CG2 3.77Å; V460-V464 VanDerWaalsContact O-CB 3.25Å; V460-V464 WeakPolarHBondContact O-CB 3.48Å; V460-V464 WeakPolarHBondContact O-CG2 3.06Å; V460-V464 PolarHBondContact O-N 3.12Å
461A85.1Confident87.2Confident5 Ų534.6 Ų34.64%0.04118%0.178CC..Hα-helixtrans-52.1-50.2177.500000112.4H88 L91 M456 P457 W458 G465H88-A461 PolarHBondContact NE2-O 3.2Å; L91-A461 HydrophobicContact CD2-CB 4.1Å; M456-A461 HydrophobicContact CE-CB 4.49Å; P457-A461 PolarHBondContact O-N 3.37Å; P457-A461 VanDerWaalsContact O-N 3.08Å; W458-A461 PolarHBondContact O-N 3.34Å; A461-G465 PolarHBondContact O-N 3.43Å
462L89.3Confident87Confident65 Ų6533.8 Ų33.834%0.3417%0.174SC..Hα-helixtrans-69-39.6177.5-70.6175000113.5W458 V460 V464 G465 G466W458-L462 PolarHBondContact O-N 3.25Å; V460-L462 VanDerWaalsContact C-N 3.34Å; V460-L462 PolarHBondContact O-N 3.06Å; L462-V464 VanDerWaalsContact C-N 3.31Å; L462-V464 PolarHBondContact O-N 3.46Å; L462-G465 PolarHBondContact O-N 3.29Å; L462-G466 PolarHBondContact O-N 3.45Å
463L85.5Confident86.9Confident4 Ų433.7 Ų33.72%0.02117%0.174CC..Hα-helixtrans-59.6-46179.2177.864.7000111.5W50 L57 A61 K459 V460 G466 G467 A516W50-L463 HydrophobicContact CZ2-CD1 3.55Å; L57-L463 HydrophobicContact CB-CD1 4.28Å; A61-L463 HydrophobicContact CB-CB 4.46Å; A61-L463 HydrophobicContact CB-CD1 3.88Å; K459-L463 WeakPolarHBondContact O-CB 3.39Å; K459-L463 PolarHBondContact O-N 2.87Å; V460-L463 PolarHBondContact O-N 3.42Å; V460-L463 VanDerWaalsContact O-N 3.15Å; L463-G466 PolarHBondContact O-N 3.32Å; L463-G467 PolarHBondContact O-N 3.34Å; L463-G467 VanDerWaalsContact O-N 3.1Å; L463-A516 HydrophobicContact CD2-CB 3.31Å
464V80.4Confident86.6Confident0 Ų029.2 Ų29.20%015%0.153CC..Hα-helixtrans-59.5-47.5178.1173.70000110.2F87 I285 V460 L462 G466 G467 F468F87-V464 HydrophobicContact CD1-CB 4.34Å; F87-V464 HydrophobicContact CD1-CG1 3.58Å; F87-V464 HydrophobicContact CE1-CB 3.85Å; F87-V464 HydrophobicContact CE1-CG1 3.51Å; F87-V464 HydrophobicContact CE1-CG2 3.86Å; F87-V464 HydrophobicContact CG-CG1 4.32Å; F87-V464 HydrophobicContact CZ-CG1 4.24Å; F87-V464 HydrophobicContact CZ-CG2 4.09Å; I285-V464 HydrophobicContact CD1-CG2 4.12Å; I285-V464 HydrophobicContact CG1-CB 4.32Å; I285-V464 HydrophobicContact CG1-CG1 4.41Å; I285-V464 HydrophobicContact CG1-CG2 3.42Å; I285-V464 VanDerWaalsContact CG1-CG2 3.42Å; V460-V464 HydrophobicContact CG1-CG2 3.77Å; V460-V464 VanDerWaalsContact O-CB 3.25Å; V460-V464 WeakPolarHBondContact O-CB 3.48Å; V460-V464 WeakPolarHBondContact O-CG2 3.06Å; V460-V464 PolarHBondContact O-N 3.12Å; L462-V464 VanDerWaalsContact C-N 3.31Å; L462-V464 PolarHBondContact O-N 3.46Å; V464-G466 VanDerWaalsContact C-N 3.35Å; V464-G466 PolarHBondContact O-N 3.48Å; V464-G467 WeakPolarHBondContact O-CA 3.4Å; V464-G467 PolarHBondContact O-N 2.91Å; V464-F468 HydrophobicContact CB-CE2 4.36Å; V464-F468 HydrophobicContact CB-CZ 4.3Å; V464-F468 HydrophobicContact CG1-CD2 4.16Å; V464-F468 HydrophobicContact CG1-CE1 3.94Å; V464-F468 HydrophobicContact CG1-CE2 3.16Å; V464-F468 HydrophobicContact CG1-CZ 2.96Å; V464-F468 WeakPolarHBondContact O-CD2 3.31Å; V464-F468 WeakPolarHBondContact O-CG 3.41Å; V464-F468 PolarHBondContact O-N 3.27Å; V464-F468 VanDerWaalsContact O-N 3.1Å
465G86.3Confident86.4Confident0 Ų030.6 Ų30.60%014%0.143CC..Hα-helixtrans-59-38.617500000114.8A461 L462 G467 F468 A469A461-G465 PolarHBondContact O-N 3.43Å; L462-G465 PolarHBondContact O-N 3.29Å; G465-G467 VanDerWaalsContact C-N 3.32Å; G465-G467 PolarHBondContact O-N 3.2Å; G465-F468 PolarHBondContact O-N 3Å; G465-A469 PolarHBondContact O-N 3.46Å
466G87.4Confident86.5Confident0 Ų033.4 Ų33.40%016%0.155CC..Hα-helixtrans-65.1-35.2173.300000113.6A61 L462 L463 V464 L470A61-G466 WeakPolarHBondContact O-CA 3.42Å; L462-G466 PolarHBondContact O-N 3.45Å; L463-G466 PolarHBondContact O-N 3.32Å; V464-G466 VanDerWaalsContact C-N 3.35Å; V464-G466 PolarHBondContact O-N 3.48Å; G466-L470 WeakPolarHBondContact O-CB 3.26Å; G466-L470 PolarHBondContact O-N 2.92Å
467G84.3Confident86.6Confident4 Ų433.2 Ų33.24%0.04116%0.155CC..Hα-helixtrans-64.3-40.8173.500000113.8L463 V464 G465 L470 A471L463-G467 PolarHBondContact O-N 3.34Å; L463-G467 VanDerWaalsContact O-N 3.1Å; V464-G467 WeakPolarHBondContact O-CA 3.4Å; V464-G467 PolarHBondContact O-N 2.91Å; G465-G467 VanDerWaalsContact C-N 3.32Å; G465-G467 PolarHBondContact O-N 3.2Å; G467-L470 WeakPolarHBondContact O-CB 3.31Å; G467-L470 PolarHBondContact O-N 3.37Å; G467-A471 PolarHBondContact O-N 2.86Å
468F85Confident86.7Confident2 Ų233 Ų331%0.00916%0.157CC..Hα-helixtrans-66.1-45.1176-60.4-25.6000112.5E82 K85 E288 Q292 V464 G465 L470 A471 E472E82-F468 HydrophobicContact CB-CB 4.06Å; E82-F468 WeakPolarHBondContact O-CD2 3.23Å; K85-F468 HydrophobicContact CG-CD2 4.45Å; E288-F468 HydrophobicContact CB-CE1 3.88Å; E288-F468 HydrophobicContact CB-CE2 4.09Å; E288-F468 HydrophobicContact CB-CZ 3.35Å; E288-F468 HydrophobicContact CG-CD1 4.37Å; E288-F468 HydrophobicContact CG-CD2 4.09Å; E288-F468 HydrophobicContact CG-CE1 3.57Å; E288-F468 HydrophobicContact CG-CE2 3.15Å; E288-F468 HydrophobicContact CG-CZ 2.89Å; Q292-F468 VanDerWaalsContact OE1-CD1 3.29Å; Q292-F468 VanDerWaalsContact OE1-CG 3.23Å; V464-F468 HydrophobicContact CB-CE2 4.36Å; V464-F468 HydrophobicContact CB-CZ 4.3Å; V464-F468 HydrophobicContact CG1-CD2 4.16Å; V464-F468 HydrophobicContact CG1-CE1 3.94Å; V464-F468 HydrophobicContact CG1-CE2 3.16Å; V464-F468 HydrophobicContact CG1-CZ 2.96Å; V464-F468 WeakPolarHBondContact O-CD2 3.31Å; V464-F468 WeakPolarHBondContact O-CG 3.41Å; V464-F468 PolarHBondContact O-N 3.27Å; V464-F468 VanDerWaalsContact O-N 3.1Å; G465-F468 PolarHBondContact O-N 3Å; F468-L470 PolarHBondContact O-N 3.07Å; F468-A471 PolarHBondContact O-N 3.21Å; F468-E472 PolarHBondContact O-N 2.84Å
469A90.4Very high86.6Confident0 Ų027.5 Ų27.50%014%0.137CC..Hα-helixtrans-53.8-49.2171.800000109.8P64 F68 V79 E82 Y83 G465 A471 E472 G473P64-A469 HydrophobicContact CB-CB 3.65Å; P64-A469 HydrophobicContact CG-CB 4.27Å; F68-A469 VanDerWaalsContact CE2-O 3.27Å; F68-A469 WeakPolarHBondContact CE2-O 3.49Å; V79-A469 HydrophobicContact CG1-CB 3.98Å; E82-A469 HydrophobicContact CB-CB 4.11Å; Y83-A469 HydrophobicContact CE2-CB 3.79Å; G465-A469 PolarHBondContact O-N 3.46Å; A469-A471 PolarHBondContact O-N 3.24Å; A469-E472 PolarHBondContact O-N 3.22Å; A469-G473 PolarHBondContact O-N 3.45Å
470L89.1Confident86.6Confident2 Ų221 Ų211%0.0111%0.112CC..Hα-helixtrans-60.7-43.4-179.8-157.3159.2000112.7L43 M46 W50 G466 G467 F468 G473 A474 P524L43-L470 HydrophobicContact CB-CD2 4.27Å; L43-L470 HydrophobicContact CD1-CD2 3.84Å; L43-L470 HydrophobicContact CG-CD2 4.02Å; M46-L470 HydrophobicContact CB-CD1 4.48Å; M46-L470 HydrophobicContact CE-CD1 3.8Å; M46-L470 HydrophobicContact SD-CD1 3.63Å; W50-L470 HydrophobicContact CH2-CD1 4.38Å; W50-L470 HydrophobicContact CZ3-CD1 4.35Å; G466-L470 WeakPolarHBondContact O-CB 3.26Å; G466-L470 PolarHBondContact O-N 2.92Å; G467-L470 WeakPolarHBondContact O-CB 3.31Å; G467-L470 PolarHBondContact O-N 3.37Å; F468-L470 PolarHBondContact O-N 3.07Å; L470-G473 PolarHBondContact O-N 3.45Å; L470-A474 WeakPolarHBondContact O-CB 3.46Å; L470-A474 PolarHBondContact O-N 3.03Å; L470-P524 HydrophobicContact CD2-CG 4.29Å
471A84.6Confident86.6Confident2 Ų223.8 Ų23.82%0.01713%0.125CC..Hα-helixtrans-61.2-48.9176.500000112.1Y289 I293 G467 F468 A469 A474 K475 P524Y289-A471 HydrophobicContact CD2-CB 3.98Å; Y289-A471 HydrophobicContact CE2-CB 3.59Å; I293-A471 HydrophobicContact CD1-CB 4.23Å; G467-A471 PolarHBondContact O-N 2.86Å; F468-A471 PolarHBondContact O-N 3.21Å; A469-A471 PolarHBondContact O-N 3.24Å; A471-A474 PolarHBondContact O-N 2.79Å; A471-K475 PolarHBondContact O-N 3.24Å; A471-K475 VanDerWaalsContact O-N 3.11Å; A471-P524 HydrophobicContact CB-CG 4.29Å
472E87Confident86.7Confident40 Ų4029.2 Ų29.219%0.18715%0.145CC..Hα-helixtrans-66.3-39.3177.9-171.964.1-174.400111.2M74 E82 F468 A469 A474 K475 E476M74-E472 HydrophobicContact CE-CB 3.97Å; M74-E472 HydrophobicContact CE-CG 3.42Å; M74-E472 VanDerWaalsContact CE-CG 3.42Å; M74-E472 HydrophobicContact SD-CB 4.27Å; M74-E472 HydrophobicContact SD-CG 4.1Å; E82-E472 HydrophobicContact CG-CB 4.29Å; F468-E472 PolarHBondContact O-N 2.84Å; A469-E472 PolarHBondContact O-N 3.22Å; E472-A474 VanDerWaalsContact C-N 3.34Å; E472-A474 PolarHBondContact O-N 2.76Å; E472-K475 WeakPolarHBondContact O-CB 3.34Å; E472-K475 PolarHBondContact O-N 2.89Å; E472-E476 HydrophobicContact CG-CG 4.45Å; E472-E476 WeakPolarHBondContact O-CB 3.2Å; E472-E476 WeakPolarHBondContact O-CG 3.45Å; E472-E476 PolarHBondContact O-N 3.02Å
473G90.1Very high86.4Confident0 Ų027.1 Ų27.10%014%0.135CC..Hα-helixtrans-63.9-36.2174.300000113.1C39 A469 L470 K475 S477C39-G473 VanDerWaalsContact SG-C 3.55Å; C39-G473 PolarHBondContact SG-O 3.15Å; A469-G473 PolarHBondContact O-N 3.45Å; L470-G473 PolarHBondContact O-N 3.45Å; G473-K475 VanDerWaalsContact C-N 3.34Å; G473-S477 WeakPolarHBondContact O-CB 3.32Å; G473-S477 PolarHBondContact O-N 3.02Å; G473-S477 PolarHBondContact O-OG 2.95Å
474A87.9Confident86Confident2 Ų227.1 Ų27.12%0.01714%0.135CC..Hα-helixtrans-66.5-37.8175.300000111.6L470 A471 E472 S477 G478 M479 S480L470-A474 WeakPolarHBondContact O-CB 3.46Å; L470-A474 PolarHBondContact O-N 3.03Å; A471-A474 PolarHBondContact O-N 2.79Å; E472-A474 VanDerWaalsContact C-N 3.34Å; E472-A474 PolarHBondContact O-N 2.76Å; A474-S477 PolarHBondContact O-OG 3.31Å; A474-G478 PolarHBondContact O-N 3.14Å; A474-M479 HydrophobicContact CB-CB 4.29Å; A474-M479 HydrophobicContact CB-SD 4.19Å; A474-M479 PolarHBondContact O-N 3.37Å; A474-S480 PolarHBondContact O-N 3.43Å; A474-S480 VanDerWaalsContact O-N 3.17Å; A474-S480 PolarHBondContact O-OG 3.23Å
475K85.4Confident86.1Confident115 Ų11532.9 Ų32.950%0.516%0.162SC..Hα-helixtrans-66.8-53.9173.6-176.3-178.6176.7-176.70111.7A471 E472 G473 S477 G478 S480A471-K475 PolarHBondContact O-N 3.24Å; A471-K475 VanDerWaalsContact O-N 3.11Å; E472-K475 WeakPolarHBondContact O-CB 3.34Å; E472-K475 PolarHBondContact O-N 2.89Å; G473-K475 VanDerWaalsContact C-N 3.34Å; K475-S477 VanDerWaalsContact C-N 3.29Å; K475-S477 PolarHBondContact O-N 2.98Å; K475-G478 PolarHBondContact O-N 2.87Å; K475-G478 VanDerWaalsContact O-N 3.13Å; K475-S480 PolarHBondContact N-OG 3.06Å
476E89.4Confident85.9Confident117 Ų11737.7 Ų37.755%0.54719%0.187SC..Hα-helixtrans-62.5-33.2-178.9-73.4-70.6132.400112.8M74 E472 G478M74-E476 HydrophobicContact CG-CB 4.32Å; M74-E476 HydrophobicContact CG-CG 4.21Å; E472-E476 HydrophobicContact CG-CG 4.45Å; E472-E476 WeakPolarHBondContact O-CB 3.2Å; E472-E476 WeakPolarHBondContact O-CG 3.45Å; E472-E476 PolarHBondContact O-N 3.02Å; E476-G478 VanDerWaalsContact C-N 3.32Å
477S90.9Very high85.4Confident9 Ų939.6 Ų39.66%0.06320%0.197CC..THydrogen-bonded Turntrans-79.2-11.9178.162.30000114.6K35 V36 C39 G473 A474 K475 M479K35-S477 WeakPolarHBondContact O-CB 3.3Å; V36-S477 WeakPolarHBondContact CG2-O 3.45Å; V36-S477 PolarHBondContact N-O 3.06Å; C39-S477 VanDerWaalsContact CB-OG 3.23Å; C39-S477 WeakPolarHBondContact CB-OG 3.43Å; C39-S477 PolarHBondContact SG-OG 3.07Å; G473-S477 WeakPolarHBondContact O-CB 3.32Å; G473-S477 PolarHBondContact O-N 3.02Å; G473-S477 PolarHBondContact O-OG 2.95Å; A474-S477 PolarHBondContact O-OG 3.31Å; K475-S477 VanDerWaalsContact C-N 3.29Å; K475-S477 PolarHBondContact O-N 2.98Å; S477-M479 VanDerWaalsContact C-N 3.26Å; S477-M479 WeakPolarHBondContact OG-CB 3.32Å; S477-M479 PolarHBondContact OG-N 3.18Å
478G87.3Confident84.9Confident21 Ų2143.9 Ų43.922%0.21622%0.217CC..THydrogen-bonded Turntrans75.88.4-170.400000114.2A474 K475 E476 S480 L481 W482A474-G478 PolarHBondContact O-N 3.14Å; K475-G478 PolarHBondContact O-N 2.87Å; K475-G478 VanDerWaalsContact O-N 3.13Å; E476-G478 VanDerWaalsContact C-N 3.32Å; G478-S480 VanDerWaalsContact C-N 3.31Å; G478-S480 PolarHBondContact O-N 3.5Å; G478-L481 PolarHBondContact O-N 3.43Å; G478-W482 PolarHBondContact O-N 3.5Å
479M87.6Confident84.5Confident8 Ų848.2 Ų48.24%0.03925%0.246CC..Hα-helixtrans-62.1-39.9176.9-178.7-160.8-60.700111.6V36 C39 A40 L43 A474 S477 L481 W482 V483V36-M479 HydrophobicContact CG1-CB 4.33Å; C39-M479 HydrophobicContact CB-CE 3.46Å; C39-M479 VanDerWaalsContact CB-CE 3.46Å; C39-M479 WeakPolarHBondContact O-CE 3.4Å; C39-M479 WeakPolarHBondContact SG-CE 3.48Å; A40-M479 HydrophobicContact CB-CE 3.92Å; L43-M479 HydrophobicContact CB-CE 4.29Å; L43-M479 HydrophobicContact CD1-CE 4.25Å; L43-M479 HydrophobicContact CD1-SD 3.58Å; L43-M479 VanDerWaalsContact CD1-SD 3.58Å; A474-M479 HydrophobicContact CB-CB 4.29Å; A474-M479 HydrophobicContact CB-SD 4.19Å; A474-M479 PolarHBondContact O-N 3.37Å; S477-M479 VanDerWaalsContact C-N 3.26Å; S477-M479 WeakPolarHBondContact OG-CB 3.32Å; S477-M479 PolarHBondContact OG-N 3.18Å; M479-L481 PolarHBondContact O-N 2.92Å; M479-W482 WeakPolarHBondContact O-CB 3.42Å; M479-W482 PolarHBondContact O-N 3.13Å; M479-V483 HydrophobicContact CG-CG2 4.05Å; M479-V483 WeakPolarHBondContact O-CG2 3.19Å; M479-V483 PolarHBondContact O-N 2.9Å
480S84Confident83.6Confident24 Ų2450.9 Ų50.917%0.16826%0.26CS..Hα-helixtrans-54.7-42.6179.4-58.10000111.7A474 K475 G478 A484 P528A474-S480 PolarHBondContact O-N 3.43Å; A474-S480 VanDerWaalsContact O-N 3.17Å; A474-S480 PolarHBondContact O-OG 3.23Å; K475-S480 PolarHBondContact N-OG 3.06Å; G478-S480 VanDerWaalsContact C-N 3.31Å; G478-S480 PolarHBondContact O-N 3.5Å; S480-A484 WeakPolarHBondContact O-CB 3.23Å; S480-A484 PolarHBondContact O-N 3.23Å; S480-P528 VanDerWaalsContact O-CB 3.23Å; S480-P528 WeakPolarHBondContact O-CB 3.5Å
481L82.7Confident82.6Confident80 Ų8052.8 Ų52.842%0.41928%0.28SS..Hα-helixtrans-66.1-43.9175.5-63.9174.2000111.9G478 M479 V483 A484 E485 L614G478-L481 PolarHBondContact O-N 3.43Å; M479-L481 PolarHBondContact O-N 2.92Å; L481-V483 PolarHBondContact O-N 3.41Å; L481-A484 WeakPolarHBondContact O-CB 3.28Å; L481-A484 PolarHBondContact O-N 2.97Å; L481-E485 WeakPolarHBondContact O-CG 3.49Å; L481-E485 PolarHBondContact O-N 3.48Å; L481-L614 HydrophobicContact CD2-CD2 3.36Å
482W85.7Confident82.3Confident119 Ų11960.1 Ų60.145%0.45132%0.319SS..Hα-helixtrans-63-40.2178.9177.878.2000112.9V36 G478 M479 E485 L486V36-W482 HydrophobicContact CG1-CB 3.94Å; V36-W482 HydrophobicContact CG1-CD2 4.04Å; V36-W482 HydrophobicContact CG1-CE3 4.31Å; V36-W482 HydrophobicContact CG1-CG 3.88Å; G478-W482 PolarHBondContact O-N 3.5Å; M479-W482 WeakPolarHBondContact O-CB 3.42Å; M479-W482 PolarHBondContact O-N 3.13Å; W482-E485 PolarHBondContact O-N 2.93Å; W482-L486 HydrophobicContact CD2-CD1 3.99Å; W482-L486 HydrophobicContact CE3-CD1 3.9Å; W482-L486 HydrophobicContact CH2-CD1 3.4Å; W482-L486 HydrophobicContact CZ2-CD1 3.47Å; W482-L486 VanDerWaalsContact CZ2-CD1 3.47Å; W482-L486 HydrophobicContact CZ2-CG 4.39Å; W482-L486 HydrophobicContact CZ3-CD1 3.61Å; W482-L486 WeakPolarHBondContact O-CG 3.4Å; W482-L486 PolarHBondContact O-N 2.99Å
483V82.6Confident81.9Confident21 Ų2162.9 Ų62.913%0.12733%0.333CS..Hα-helixtrans-65.6-42.9174.7172.10000110.8M479 L481 E485 L486 L487 I525M479-V483 HydrophobicContact CG-CG2 4.05Å; M479-V483 WeakPolarHBondContact O-CG2 3.19Å; M479-V483 PolarHBondContact O-N 2.9Å; L481-V483 PolarHBondContact O-N 3.41Å; V483-E485 VanDerWaalsContact C-N 3.34Å; V483-E485 PolarHBondContact O-N 3.45Å; V483-L486 PolarHBondContact O-N 3.09Å; V483-L487 HydrophobicContact CG1-CD1 3.74Å; V483-L487 WeakPolarHBondContact O-CG 3.49Å; V483-L487 PolarHBondContact O-N 3.04Å; V483-I525 HydrophobicContact CG1-CG2 4.06Å
484A77.7Confident81.8Confident3 Ų367.4 Ų67.43%0.02536%0.362CS..Hα-helixtrans-56.2-46.6174.300000111.9S480 L481 L486 L487 M488 P528 A532 L614S480-A484 WeakPolarHBondContact O-CB 3.23Å; S480-A484 PolarHBondContact O-N 3.23Å; L481-A484 WeakPolarHBondContact O-CB 3.28Å; L481-A484 PolarHBondContact O-N 2.97Å; A484-L486 PolarHBondContact O-N 3.26Å; A484-L487 PolarHBondContact O-N 2.98Å; A484-L487 VanDerWaalsContact O-N 3.15Å; A484-M488 PolarHBondContact O-N 2.95Å; A484-P528 HydrophobicContact CB-CB 4.22Å; A484-A532 HydrophobicContact CB-CB 3.66Å; A484-L614 HydrophobicContact CB-CD1 3.67Å
485E82.3Confident81.6Confident122 Ų12269.9 Ų69.957%0.5738%0.377SS*.Hα-helixtrans-62.2-40.6179.4-71.9176.6177.400113.1L481 W482 V483 L487 M488L481-E485 WeakPolarHBondContact O-CG 3.49Å; L481-E485 PolarHBondContact O-N 3.48Å; W482-E485 PolarHBondContact O-N 2.93Å; V483-E485 VanDerWaalsContact C-N 3.34Å; V483-E485 PolarHBondContact O-N 3.45Å; E485-L487 PolarHBondContact O-N 3.34Å; E485-M488 HydrophobicContact CB-CE 3.89Å; E485-M488 HydrophobicContact CG-CE 3.96Å; E485-M488 PolarHBondContact O-N 3.24Å
486L83.3Confident81.7Confident101 Ų10167.9 Ų67.953%0.52937%0.371SS..Hα-helixtrans-63.6-27.2176.9-75.7173.7000113.3W482 V483 A484W482-L486 HydrophobicContact CD2-CD1 3.99Å; W482-L486 HydrophobicContact CE3-CD1 3.9Å; W482-L486 HydrophobicContact CH2-CD1 3.4Å; W482-L486 HydrophobicContact CZ2-CD1 3.47Å; W482-L486 VanDerWaalsContact CZ2-CD1 3.47Å; W482-L486 HydrophobicContact CZ2-CG 4.39Å; W482-L486 HydrophobicContact CZ3-CD1 3.61Å; W482-L486 WeakPolarHBondContact O-CG 3.4Å; W482-L486 PolarHBondContact O-N 2.99Å; V483-L486 PolarHBondContact O-N 3.09Å; A484-L486 PolarHBondContact O-N 3.26Å
487L75.3Confident81.7Confident39 Ų3964.1 Ų64.120%0.20436%0.36CS..Hα-helixtrans-98.6-2.4-173.7-64.6171.2000113.2V483 A484 E485 P489 L490 L529V483-L487 HydrophobicContact CG1-CD1 3.74Å; V483-L487 WeakPolarHBondContact O-CG 3.49Å; V483-L487 PolarHBondContact O-N 3.04Å; A484-L487 PolarHBondContact O-N 2.98Å; A484-L487 VanDerWaalsContact O-N 3.15Å; E485-L487 PolarHBondContact O-N 3.34Å; L487-P489 VanDerWaalsContact C-N 3.28Å; L487-L490 HydrophobicContact CD2-CD1 4.22Å; L487-L490 HydrophobicContact CD2-CD2 4.39Å; L487-L490 WeakPolarHBondContact O-CB 3.5Å; L487-L490 PolarHBondContact O-N 3.21Å; L487-L529 HydrophobicContact CB-CD1 3.6Å; L487-L529 HydrophobicContact CD1-CB 3.81Å; L487-L529 HydrophobicContact CD1-CD1 3.81Å; L487-L529 HydrophobicContact CD1-CD2 4.37Å; L487-L529 HydrophobicContact CD1-CG 4.19Å; L487-L529 HydrophobicContact CG-CD1 4.22Å
488M73.9Confident81.4Confident94 Ų9464.1 Ų64.146%0.46336%0.36SS..G310 helixtrans-48.5-39.2174.1-81-166.8-87.600114.5A484 E485 L490 G491 F617A484-M488 PolarHBondContact O-N 2.95Å; E485-M488 HydrophobicContact CB-CE 3.89Å; E485-M488 HydrophobicContact CG-CE 3.96Å; E485-M488 PolarHBondContact O-N 3.24Å; M488-L490 PolarHBondContact O-N 3.42Å; M488-G491 PolarHBondContact O-N 3.09Å; M488-F617 HydrophobicContact CG-CZ 4.35Å; M488-F617 HydrophobicContact SD-CZ 4.33Å
489P78.1Confident81.6Confident94 Ų9463.1 Ų63.161%0.6135%0.35SS*.G310 helixtrans-62.4-14.9177.5-23.835.1000114.9L487 G491L487-P489 VanDerWaalsContact C-N 3.28Å; P489-G491 VanDerWaalsContact C-N 3.28Å
490L70.9Confident81.9Confident56 Ų5664.4 Ų64.429%0.29336%0.358SS..G310 helixtrans-79-11.2174.8-80.270.3000112.7L487 M488 D492 M493L487-L490 HydrophobicContact CD2-CD1 4.22Å; L487-L490 HydrophobicContact CD2-CD2 4.39Å; L487-L490 WeakPolarHBondContact O-CB 3.5Å; L487-L490 PolarHBondContact O-N 3.21Å; M488-L490 PolarHBondContact O-N 3.42Å; L490-D492 PolarHBondContact O-N 2.93Å; L490-M493 HydrophobicContact CG-CE 4.49Å; L490-M493 PolarHBondContact O-N 3.27Å; L490-M493 VanDerWaalsContact O-N 3.15Å
491G68Low82.2Confident42 Ų4267 Ų6743%0.43337%0.372SS..G310 helixtrans-63.5-20.417900000114.5M488 P489 M493M488-G491 PolarHBondContact O-N 3.09Å; P489-G491 VanDerWaalsContact C-N 3.28Å; G491-M493 VanDerWaalsContact C-N 3.28Å; G491-M493 PolarHBondContact O-N 3.45Å
492D77.8Confident82.6Confident155 Ų15563.6 Ų63.683%0.82936%0.356SS*.G310 helixtrans-77.3-12.6176.7-68.5-26.6000113.2L490L490-D492 PolarHBondContact O-N 2.93Å
493M79.4Confident83.1Confident99 Ų9958 Ų5849%0.48834%0.335SS..SBendtrans-84.3146.5178.5-67.2-152.4-131.800111.8L490 G491 V495L490-M493 HydrophobicContact CG-CE 4.49Å; L490-M493 PolarHBondContact O-N 3.27Å; L490-M493 VanDerWaalsContact O-N 3.15Å; G491-M493 VanDerWaalsContact C-N 3.28Å; G491-M493 PolarHBondContact O-N 3.45Å; M493-V495 PolarHBondContact O-N 3.33Å
494P87.1Confident83.7Confident95 Ų9560.9 Ų60.962%0.61735%0.349SS*.  trans-53.2131.8169.1-23.432.7000110.5L496 A497 T498P494-L496 PolarHBondContact O-N 2.86Å; P494-L496 VanDerWaalsContact O-N 3.11Å; P494-A497 HydrophobicContact CB-CB 4.33Å; P494-A497 WeakPolarHBondContact O-CA 3.36Å; P494-A497 VanDerWaalsContact O-CB 3.24Å; P494-A497 WeakPolarHBondContact O-CB 3.22Å; P494-A497 PolarHBondContact O-N 3.35Å; P494-T498 PolarHBondContact O-N 3.34Å
495V84Confident84.4Confident53 Ų5364.9 Ų64.932%0.32137%0.369SS..Hα-helixtrans-51.2-42.7-174.8-1770000112.4M493 A497 T498 V499 V535 Y539M493-V495 PolarHBondContact O-N 3.33Å; V495-A497 VanDerWaalsContact C-N 3.27Å; V495-A497 PolarHBondContact O-N 2.98Å; V495-T498 WeakPolarHBondContact O-CB 3.5Å; V495-T498 PolarHBondContact O-N 2.88Å; V495-V499 HydrophobicContact CG1-CG2 4.49Å; V495-V499 WeakPolarHBondContact O-CG2 3.32Å; V495-V499 PolarHBondContact O-N 3.06Å; V495-V535 HydrophobicContact CB-CG2 4.29Å; V495-V535 HydrophobicContact CG1-CB 4.26Å; V495-V535 HydrophobicContact CG1-CG1 3.57Å; V495-V535 HydrophobicContact CG1-CG2 3.66Å; V495-V535 HydrophobicContact CG2-CG2 3.57Å; V495-Y539 HydrophobicContact CB-CE1 4.33Å; V495-Y539 HydrophobicContact CG1-CD1 3.48Å; V495-Y539 VanDerWaalsContact CG1-CD1 3.48Å; V495-Y539 HydrophobicContact CG1-CE1 3.56Å
496L88.1Confident85Confident74 Ų7459 Ų5939%0.38734%0.342SS..Hα-helixtrans-63.1-32.3178.3-169.566000112.7P494 T500 L591P494-L496 PolarHBondContact O-N 2.86Å; P494-L496 VanDerWaalsContact O-N 3.11Å; L496-T500 WeakPolarHBondContact O-CB 2.79Å; L496-T500 PolarHBondContact O-N 3.48Å; L496-T500 PolarHBondContact O-OG1 2.99Å; L496-L591 HydrophobicContact CD1-CD2 4.02Å
497A88.5Confident85.5Confident38 Ų3854.7 Ų54.731%0.31432%0.319SS..Hα-helixtrans-68.2-43.617500000110.8P494 V495 V499 T500 V501P494-A497 HydrophobicContact CB-CB 4.33Å; P494-A497 WeakPolarHBondContact O-CA 3.36Å; P494-A497 VanDerWaalsContact O-CB 3.24Å; P494-A497 WeakPolarHBondContact O-CB 3.22Å; P494-A497 PolarHBondContact O-N 3.35Å; V495-A497 VanDerWaalsContact C-N 3.27Å; V495-A497 PolarHBondContact O-N 2.98Å; A497-V499 PolarHBondContact O-N 2.84Å; A497-T500 PolarHBondContact O-N 2.82Å; A497-V501 WeakPolarHBondContact O-CG2 3.31Å; A497-V501 PolarHBondContact O-N 2.96Å
498T86.1Confident86.3Confident9 Ų957.2 Ų57.26%0.05534%0.337CS..Hα-helixtrans-59.9-46.5175.1-550000111.4P494 V495 T500 V501 A502 I533P494-T498 PolarHBondContact O-N 3.34Å; V495-T498 WeakPolarHBondContact O-CB 3.5Å; V495-T498 PolarHBondContact O-N 2.88Å; T498-T500 VanDerWaalsContact C-N 3.33Å; T498-T500 PolarHBondContact O-N 2.84Å; T498-V501 PolarHBondContact O-N 3.39Å; T498-A502 WeakPolarHBondContact O-CB 3.39Å; T498-A502 PolarHBondContact O-N 3.43Å; T498-I533 HydrophobicContact CG2-CD1 4.37Å
499V90.6Very high87.1Confident0 Ų054.9 Ų54.90%033%0.326CS..Hα-helixtrans-60.2-43.5174.9174.30000111.3V495 A497 A502 C503 Y539 V540 P543 L591V495-V499 HydrophobicContact CG1-CG2 4.49Å; V495-V499 WeakPolarHBondContact O-CG2 3.32Å; V495-V499 PolarHBondContact O-N 3.06Å; A497-V499 PolarHBondContact O-N 2.84Å; V499-A502 PolarHBondContact O-N 3.4Å; V499-C503 WeakPolarHBondContact O-CB 3.41Å; V499-C503 PolarHBondContact O-N 3.38Å; V499-C503 PolarHBondContact O-SG 3.37Å; V499-Y539 HydrophobicContact CG2-CD1 3.96Å; V499-Y539 HydrophobicContact CG2-CE1 4.28Å; V499-Y539 WeakPolarHBondContact CG2-O 3.5Å; V499-V540 HydrophobicContact CG2-CG2 4.06Å; V499-P543 HydrophobicContact CG1-CB 4.1Å; V499-P543 HydrophobicContact CG1-CG 3.54Å; V499-L591 HydrophobicContact CG1-CD2 3.99Å
500T93.1Very high87.8Confident35 Ų3550.4 Ų50.422%0.21530%0.297CS..Hα-helixtrans-62.6-45.8179.3-60.20000111.5L496 A497 T498 C503 I504 L591L496-T500 WeakPolarHBondContact O-CB 2.79Å; L496-T500 PolarHBondContact O-N 3.48Å; L496-T500 PolarHBondContact O-OG1 2.99Å; A497-T500 PolarHBondContact O-N 2.82Å; T498-T500 VanDerWaalsContact C-N 3.33Å; T498-T500 PolarHBondContact O-N 2.84Å; T500-C503 PolarHBondContact O-N 2.82Å; T500-I504 HydrophobicContact CG2-CD1 3.93Å; T500-I504 VanDerWaalsContact O-CG1 3.31Å; T500-I504 WeakPolarHBondContact O-CG1 3.33Å; T500-I504 PolarHBondContact O-N 3.49Å; T500-L591 HydrophobicContact CG2-CD1 4.21Å; T500-L591 WeakPolarHBondContact OG1-CD1 3.22Å
501V91.7Very high88.8Confident77 Ų7748.1 Ų48.147%0.46728%0.284SS..Hα-helixtrans-61.2-46.5177171.20000110.7A497 T498 C503 I504 I505A497-V501 WeakPolarHBondContact O-CG2 3.31Å; A497-V501 PolarHBondContact O-N 2.96Å; T498-V501 PolarHBondContact O-N 3.39Å; V501-C503 VanDerWaalsContact C-N 3.35Å; V501-C503 PolarHBondContact O-N 3.28Å; V501-I504 PolarHBondContact O-N 3.04Å; V501-I505 HydrophobicContact CG1-CD1 3.84Å; V501-I505 WeakPolarHBondContact O-CG1 3.47Å; V501-I505 PolarHBondContact O-N 3.29Å
502A91.5Very high89.7Confident10 Ų1050.6 Ų50.68%0.08329%0.291CS..Hα-helixtrans-58.7-45.9176.600000111.6T498 V499 I504 I505 V506 L526 T544T498-A502 WeakPolarHBondContact O-CB 3.39Å; T498-A502 PolarHBondContact O-N 3.43Å; V499-A502 PolarHBondContact O-N 3.4Å; A502-I504 PolarHBondContact O-N 3.27Å; A502-I505 PolarHBondContact O-N 2.96Å; A502-V506 WeakPolarHBondContact O-CB 3.39Å; A502-V506 WeakPolarHBondContact O-CG2 3.48Å; A502-V506 PolarHBondContact O-N 3.17Å; A502-L526 HydrophobicContact CB-CD2 4.05Å; A502-T544 HydrophobicContact CB-CG2 3.8Å
503C95.3Very high90.2Very high0 Ų043.4 Ų43.40%025%0.253CS..Hα-helixtrans-62.6-39.7178-68.50000112.7V499 T500 V501 V506 T507 C547 L587V499-C503 WeakPolarHBondContact O-CB 3.41Å; V499-C503 PolarHBondContact O-N 3.38Å; V499-C503 PolarHBondContact O-SG 3.37Å; T500-C503 PolarHBondContact O-N 2.82Å; V501-C503 VanDerWaalsContact C-N 3.35Å; V501-C503 PolarHBondContact O-N 3.28Å; C503-V506 PolarHBondContact O-N 3.34Å; C503-T507 VanDerWaalsContact O-CB 3.26Å; C503-T507 WeakPolarHBondContact O-CB 3.25Å; C503-T507 PolarHBondContact O-N 2.97Å; C503-T507 PolarHBondContact O-OG1 3.5Å; C503-C547 HydrophobicContact CB-CB 4.34Å; C503-L587 HydrophobicContact CB-CD1 3.39Å
504I94.8Very high90.5Very high82 Ų8240.1 Ų40.142%0.42124%0.239SC..Hα-helixtrans-65-45.4177-70.4167.3000111T500 V501 A502 V506 T507 T508 L587T500-I504 HydrophobicContact CG2-CD1 3.93Å; T500-I504 VanDerWaalsContact O-CG1 3.31Å; T500-I504 WeakPolarHBondContact O-CG1 3.33Å; T500-I504 PolarHBondContact O-N 3.49Å; V501-I504 PolarHBondContact O-N 3.04Å; A502-I504 PolarHBondContact O-N 3.27Å; I504-V506 VanDerWaalsContact C-N 3.34Å; I504-V506 PolarHBondContact O-N 3.11Å; I504-T507 PolarHBondContact O-N 3.4Å; I504-T508 WeakPolarHBondContact O-CB 3.28Å; I504-T508 PolarHBondContact O-N 2.98Å; I504-T508 PolarHBondContact O-OG1 3.26Å; I504-L587 HydrophobicContact CD1-CD2 4.35Å; I504-L587 HydrophobicContact CG1-CD2 3.77Å
505I93.1Very high90.7Very high87 Ų8736.1 Ų36.145%0.44621%0.213SC..Hα-helixtrans-59.5-49.3178-69.3168.2000109.9V501 A502 T508 L509 F522V501-I505 HydrophobicContact CG1-CD1 3.84Å; V501-I505 WeakPolarHBondContact O-CG1 3.47Å; V501-I505 PolarHBondContact O-N 3.29Å; A502-I505 PolarHBondContact O-N 2.96Å; I505-T508 PolarHBondContact O-N 2.92Å; I505-L509 PolarHBondContact O-N 3.5Å; I505-F522 HydrophobicContact CG2-CE1 4.09Å; I505-F522 HydrophobicContact CG2-CZ 3.73Å
506V94.1Very high90.8Very high0 Ų033.7 Ų33.70%020%0.199CC..Hα-helixtrans-63.2-46.4-179.2171.40000111.7A502 C503 I504 T508 L509 T510 T518 F522 T544 C547 T548A502-V506 WeakPolarHBondContact O-CB 3.39Å; A502-V506 WeakPolarHBondContact O-CG2 3.48Å; A502-V506 PolarHBondContact O-N 3.17Å; C503-V506 PolarHBondContact O-N 3.34Å; I504-V506 VanDerWaalsContact C-N 3.34Å; I504-V506 PolarHBondContact O-N 3.11Å; V506-T508 VanDerWaalsContact C-N 3.25Å; V506-T508 PolarHBondContact O-N 3.5Å; V506-L509 PolarHBondContact O-N 3.1Å; V506-T510 WeakPolarHBondContact O-CB 3.21Å; V506-T510 PolarHBondContact O-N 3.33Å; V506-T518 HydrophobicContact CG1-CG2 4.17Å; V506-F522 HydrophobicContact CG2-CB 4.43Å; V506-F522 HydrophobicContact CG2-CD1 4.19Å; V506-F522 HydrophobicContact CG2-CD2 3.74Å; V506-F522 HydrophobicContact CG2-CE1 4.39Å; V506-F522 HydrophobicContact CG2-CE2 3.92Å; V506-F522 HydrophobicContact CG2-CG 3.88Å; V506-F522 HydrophobicContact CG2-CZ 4.27Å; V506-T544 HydrophobicContact CG2-CG2 4.43Å; V506-C547 HydrophobicContact CG1-CB 4.48Å; V506-T548 HydrophobicContact CG1-CG2 3.2Å
507T94.4Very high90.7Very high9 Ų930.2 Ų30.26%0.05518%0.181CC..Hα-helixtrans-61.6-35.5177-55.10000111.4C503 I504 T510 C547 F550 N583C503-T507 VanDerWaalsContact O-CB 3.26Å; C503-T507 WeakPolarHBondContact O-CB 3.25Å; C503-T507 PolarHBondContact O-N 2.97Å; C503-T507 PolarHBondContact O-OG1 3.5Å; I504-T507 PolarHBondContact O-N 3.4Å; T507-T510 WeakPolarHBondContact O-CG2 3.47Å; T507-C547 WeakPolarHBondContact OG1-CB 3.38Å; T507-F550 HydrophobicContact CG2-CB 4.05Å; T507-N583 HydrophobicContact CG2-CB 4.15Å
508T92.4Very high90.8Very high93 Ų9328.4 Ų28.457%0.57117%0.166SC*.Hα-helixtrans-73.8-41.5178.7-53.60000111.3I504 I505 V506 T510 E511I504-T508 WeakPolarHBondContact O-CB 3.28Å; I504-T508 PolarHBondContact O-N 2.98Å; I504-T508 PolarHBondContact O-OG1 3.26Å; I505-T508 PolarHBondContact O-N 2.92Å; V506-T508 VanDerWaalsContact C-N 3.25Å; V506-T508 PolarHBondContact O-N 3.5Å; T508-T510 VanDerWaalsContact C-N 3.34Å; T508-E511 PolarHBondContact O-N 2.81Å
509L91.1Very high91.1Very high45 Ų4528 Ų2824%0.23616%0.163CC..Hα-helixtrans-67.9-36.2179.9-171.563.2000112V51 I505 V506 E511 V512 A513 T518 F522V51-L509 HydrophobicContact CG2-CD1 4.37Å; I505-L509 PolarHBondContact O-N 3.5Å; V506-L509 PolarHBondContact O-N 3.1Å; L509-E511 PolarHBondContact O-N 3.48Å; L509-E511 VanDerWaalsContact O-N 3.1Å; L509-V512 HydrophobicContact CD1-CG2 4.1Å; L509-V512 VanDerWaalsContact O-CG2 3.31Å; L509-V512 WeakPolarHBondContact O-CG2 3.43Å; L509-V512 PolarHBondContact O-N 3.08Å; L509-A513 HydrophobicContact CG-CB 4.4Å; L509-A513 PolarHBondContact O-N 3.44Å; L509-T518 HydrophobicContact CB-CG2 4.41Å; L509-T518 HydrophobicContact CD2-CG2 4.32Å; L509-T518 HydrophobicContact CG-CG2 4.49Å; L509-F522 HydrophobicContact CB-CE2 4.36Å; L509-F522 HydrophobicContact CD2-CD2 4.49Å; L509-F522 HydrophobicContact CD2-CE2 3.45Å; L509-F522 VanDerWaalsContact CD2-CE2 3.45Å; L509-F522 HydrophobicContact CD2-CZ 3.95Å
510T92.6Very high91Very high0 Ų028.2 Ų28.20%016%0.164CC..THydrogen-bonded Turntrans-66.3-11.8-179.7-144.80000113.6V506 T507 T508 V512 A513 N515 T548V506-T510 WeakPolarHBondContact O-CB 3.21Å; V506-T510 PolarHBondContact O-N 3.33Å; T507-T510 WeakPolarHBondContact O-CG2 3.47Å; T508-T510 VanDerWaalsContact C-N 3.34Å; T510-V512 VanDerWaalsContact C-N 3.32Å; T510-A513 CarbonylContact C-O 3.59Å; T510-N515 PolarHBondContact OG1-OD1 3.45Å; T510-T548 WeakPolarHBondContact CB-O 3.35Å; T510-T548 WeakPolarHBondContact CG2-O 3.5Å; T510-T548 PolarHBondContact OG1-O 3.05Å
511E92.1Very high90.7Very high8 Ų827.3 Ų27.34%0.03716%0.158CC..THydrogen-bonded Turntrans-78.4-17.9173.9-66.1-71.1-176.900113.2T508 L509 S551 F552 L553 L554 S557 N583T508-E511 PolarHBondContact O-N 2.81Å; L509-E511 PolarHBondContact O-N 3.48Å; L509-E511 VanDerWaalsContact O-N 3.1Å; E511-S551 WeakPolarHBondContact OE1-CA 3.5Å; E511-F552 PolarHBondContact OE1-N 3.35Å; E511-L553 VanDerWaalsContact CD-CB 3.47Å; E511-L553 VanDerWaalsContact CD-N 3.3Å; E511-L553 HydrophobicContact CG-CB 4.21Å; E511-L553 HydrophobicContact CG-CD1 3.93Å; E511-L553 HydrophobicContact CG-CG 4.14Å; E511-L553 VanDerWaalsContact OE1-CG 3.26Å; E511-L553 WeakPolarHBondContact OE1-CG 3.11Å; E511-L553 PolarHBondContact OE1-N 2.93Å; E511-L553 WeakPolarHBondContact OE2-CB 3.49Å; E511-L553 PolarHBondContact OE2-N 2.85Å; E511-L554 PolarHBondContact OE2-N 2.98Å; E511-S557 WeakPolarHBondContact O-CB 3.27Å; E511-S557 VanDerWaalsContact OE2-CB 3.29Å; E511-S557 WeakPolarHBondContact OE2-CB 3.27Å; E511-S557 PolarHBondContact OE2-OG 3.46Å; E511-N583 PolarHBondContact OE1-ND2 3.17Å
512V85.9Confident90.6Very high94 Ų9425 Ų2557%0.5714%0.142SC*.THydrogen-bonded Turntrans-120.8-10.2-179.1-620000113L509 T510 L554L509-V512 HydrophobicContact CD1-CG2 4.1Å; L509-V512 VanDerWaalsContact O-CG2 3.31Å; L509-V512 WeakPolarHBondContact O-CG2 3.43Å; L509-V512 PolarHBondContact O-N 3.08Å; T510-V512 VanDerWaalsContact C-N 3.32Å; V512-L554 HydrophobicContact CG1-CD1 4.49Å
513A87.4Confident90.5Very high3 Ų324.6 Ų24.63%0.02514%0.138CC..SBendtrans-128.3150.2179.300000110.7V51 L509 T510 N515V51-A513 HydrophobicContact CG2-CB 4.12Å; L509-A513 HydrophobicContact CG-CB 4.4Å; L509-A513 PolarHBondContact O-N 3.44Å; T510-A513 CarbonylContact C-O 3.59Å; A513-N515 PolarHBondContact O-N 3.31Å
514S87.6Confident90.1Very high30 Ų3024.9 Ų24.921%0.2114%0.14CC..  trans-56.3132.8176.4173.80000112.5L57 A516 A517 T518L57-S514 WeakPolarHBondContact CD1-OG 3.23Å; S514-A516 PolarHBondContact O-N 3.33Å; S514-A516 VanDerWaalsContact O-N 3.09Å; S514-A517 PolarHBondContact O-N 3.46Å; S514-T518 PolarHBondContact O-N 3.37Å; S514-T518 PolarHBondContact O-OG1 3.49Å
515N90.3Very high89.6Confident12 Ų1223.1 Ų23.16%0.06413%0.131CC..Hα-helixtrans-48.3-42.7179.7-59.12.9000112.8P282 T510 A513 I519 T548 S551 N558P282-N515 HydrophobicContact CG-CB 3.71Å; T510-N515 PolarHBondContact OG1-OD1 3.45Å; A513-N515 PolarHBondContact O-N 3.31Å; N515-I519 PolarHBondContact O-N 3.49Å; N515-I519 VanDerWaalsContact O-N 3.16Å; N515-T548 PolarHBondContact OD1-O 2.92Å; N515-S551 PolarHBondContact ND2-OG 3.23Å; N515-S551 PolarHBondContact OD1-OG 3.03Å; N515-N558 PolarHBondContact ND2-ND2 2.95Å
516A86.1Confident89.5Confident2 Ų219.4 Ų19.42%0.01711%0.112CC..Hα-helixtrans-67.8-39.2-178.800000112.1I285 L463 S514 I519 T520I285-A516 HydrophobicContact CD1-CB 3.8Å; I285-A516 WeakPolarHBondContact CD1-O 3.49Å; L463-A516 HydrophobicContact CD2-CB 3.31Å; S514-A516 PolarHBondContact O-N 3.33Å; S514-A516 VanDerWaalsContact O-N 3.09Å; A516-I519 WeakPolarHBondContact O-CG2 3.32Å; A516-T520 PolarHBondContact O-N 3.03Å; A516-T520 PolarHBondContact O-OG1 3.15Å
517A86.3Confident89.3Confident1 Ų119.4 Ų19.41%0.00811%0.112CC..Hα-helixtrans-72.1-40.7177.700000111.9W50 L57 S514 I519 T520 I521W50-A517 HydrophobicContact CB-CB 3.75Å; W50-A517 HydrophobicContact CD2-CB 4.06Å; W50-A517 HydrophobicContact CG-CB 3.73Å; L57-A517 HydrophobicContact CD2-CB 4.16Å; S514-A517 PolarHBondContact O-N 3.46Å; A517-I519 PolarHBondContact O-N 3.26Å; A517-T520 PolarHBondContact O-N 3.26Å; A517-I521 WeakPolarHBondContact O-CG1 3.29Å; A517-I521 PolarHBondContact O-N 2.99Å; A517-I521 VanDerWaalsContact O-N 3.13Å
518T91.3Very high88.8Confident0 Ų019.2 Ų19.20%011%0.111CC..Hα-helixtrans-55.3-51.1176.2-58.70000111V506 L509 S514 T520 I521 F522 T548V506-T518 HydrophobicContact CG1-CG2 4.17Å; L509-T518 HydrophobicContact CB-CG2 4.41Å; L509-T518 HydrophobicContact CD2-CG2 4.32Å; L509-T518 HydrophobicContact CG-CG2 4.49Å; S514-T518 PolarHBondContact O-N 3.37Å; S514-T518 PolarHBondContact O-OG1 3.49Å; T518-T520 VanDerWaalsContact C-N 3.35Å; T518-T520 PolarHBondContact O-N 3.23Å; T518-I521 PolarHBondContact O-N 2.85Å; T518-F522 HydrophobicContact CG2-CD2 3.81Å; T518-F522 HydrophobicContact CG2-CE2 3.93Å; T518-F522 VanDerWaalsContact O-CD2 3.26Å; T518-F522 WeakPolarHBondContact O-CD2 3.49Å; T518-F522 PolarHBondContact O-N 3.36Å; T518-F522 VanDerWaalsContact O-N 3.16Å; T518-T548 HydrophobicContact CG2-CG2 3.91Å
519I91.9Very high88.5Confident0 Ų015.2 Ų15.20%09%0.086CC..Hα-helixtrans-66.5-37.1-178-163.453.4000112.4P282 I285 N515 A516 A517 I521 F522 L523 T545 T548P282-I519 HydrophobicContact CB-CB 4.24Å; P282-I519 HydrophobicContact CB-CG1 4.46Å; P282-I519 HydrophobicContact CB-CG2 4Å; I285-I519 HydrophobicContact CB-CG2 3.88Å; I285-I519 HydrophobicContact CD1-CG2 3.55Å; I285-I519 HydrophobicContact CG1-CG2 4.3Å; I285-I519 HydrophobicContact CG2-CG2 3.8Å; N515-I519 PolarHBondContact O-N 3.49Å; N515-I519 VanDerWaalsContact O-N 3.16Å; A516-I519 WeakPolarHBondContact O-CG2 3.32Å; A517-I519 PolarHBondContact O-N 3.26Å; I519-I521 VanDerWaalsContact C-N 3.27Å; I519-I521 PolarHBondContact O-N 3.13Å; I519-F522 PolarHBondContact O-N 3.22Å; I519-L523 HydrophobicContact CD1-CD1 4.18Å; I519-L523 HydrophobicContact CD1-CD2 3.71Å; I519-L523 HydrophobicContact CD1-CG 3.65Å; I519-L523 HydrophobicContact CG1-CD1 3.72Å; I519-L523 HydrophobicContact CG1-CD2 4.2Å; I519-L523 HydrophobicContact CG1-CG 3.73Å; I519-L523 WeakPolarHBondContact O-CG 3.33Å; I519-L523 PolarHBondContact O-N 3.39Å; I519-T545 HydrophobicContact CG1-CG2 4.48Å; I519-T548 HydrophobicContact CB-CG2 3.87Å; I519-T548 HydrophobicContact CD1-CG2 3.86Å; I519-T548 HydrophobicContact CG1-CG2 4.33Å
520T87.9Confident88.3Confident4 Ų413 Ų133%0.0258%0.075CC..Hα-helixtrans-65-31.5179.2-62.20000112.5W50 A516 A517 T518 P524W50-T520 HydrophobicContact CH2-CG2 3.27Å; W50-T520 HydrophobicContact CZ2-CG2 4.2Å; W50-T520 HydrophobicContact CZ3-CG2 3.68Å; A516-T520 PolarHBondContact O-N 3.03Å; A516-T520 PolarHBondContact O-OG1 3.15Å; A517-T520 PolarHBondContact O-N 3.26Å; T518-T520 VanDerWaalsContact C-N 3.35Å; T518-T520 PolarHBondContact O-N 3.23Å; T520-P524 WeakPolarHBondContact O-CD 3.48Å
521I86.8Confident88.1Confident16 Ų1613.8 Ų13.88%0.0828%0.078CC..Hα-helixtrans-72.1-44.2173.8-64.7163.3000110.6A47 W50 A517 T518 I519 I525A47-I521 HydrophobicContact CB-CD1 3.9Å; A47-I521 HydrophobicContact CB-CG1 4.2Å; A47-I521 HydrophobicContact CB-CG2 4.44Å; W50-I521 HydrophobicContact CE3-CD1 3.89Å; W50-I521 HydrophobicContact CE3-CG1 3.51Å; W50-I521 HydrophobicContact CZ3-CG1 3.76Å; A517-I521 WeakPolarHBondContact O-CG1 3.29Å; A517-I521 PolarHBondContact O-N 2.99Å; A517-I521 VanDerWaalsContact O-N 3.13Å; T518-I521 PolarHBondContact O-N 2.85Å; I519-I521 VanDerWaalsContact C-N 3.27Å; I519-I521 PolarHBondContact O-N 3.13Å; I521-I525 HydrophobicContact CG2-CD1 4.22Å; I521-I525 WeakPolarHBondContact O-CD1 3.24Å; I521-I525 WeakPolarHBondContact O-CG1 3.43Å
522F89.9Confident87.6Confident30 Ų3013.5 Ų13.513%0.1328%0.077CC..Hα-helixtrans-82.9-33.3-169.2-81.8-69.1000114.6I505 V506 L509 T518 I519 I525 L526I505-F522 HydrophobicContact CG2-CE1 4.09Å; I505-F522 HydrophobicContact CG2-CZ 3.73Å; V506-F522 HydrophobicContact CG2-CB 4.43Å; V506-F522 HydrophobicContact CG2-CD1 4.19Å; V506-F522 HydrophobicContact CG2-CD2 3.74Å; V506-F522 HydrophobicContact CG2-CE1 4.39Å; V506-F522 HydrophobicContact CG2-CE2 3.92Å; V506-F522 HydrophobicContact CG2-CG 3.88Å; V506-F522 HydrophobicContact CG2-CZ 4.27Å; L509-F522 HydrophobicContact CB-CE2 4.36Å; L509-F522 HydrophobicContact CD2-CD2 4.49Å; L509-F522 HydrophobicContact CD2-CE2 3.45Å; L509-F522 VanDerWaalsContact CD2-CE2 3.45Å; L509-F522 HydrophobicContact CD2-CZ 3.95Å; T518-F522 HydrophobicContact CG2-CD2 3.81Å; T518-F522 HydrophobicContact CG2-CE2 3.93Å; T518-F522 VanDerWaalsContact O-CD2 3.26Å; T518-F522 WeakPolarHBondContact O-CD2 3.49Å; T518-F522 PolarHBondContact O-N 3.36Å; T518-F522 VanDerWaalsContact O-N 3.16Å; I519-F522 PolarHBondContact O-N 3.22Å; F522-I525 PolarHBondContact O-N 3.36Å; F522-L526 HydrophobicContact CB-CD1 3.94Å; F522-L526 HydrophobicContact CB-CG 4.35Å; F522-L526 WeakPolarHBondContact O-CB 3.46Å; F522-L526 VanDerWaalsContact O-CG 3.29Å; F522-L526 WeakPolarHBondContact O-CG 3.2Å; F522-L526 PolarHBondContact O-N 3.46Å
523L89.8Confident87.5Confident0 Ų010.4 Ų10.40%06%0.057CC..Hα-helixtrans-57.3-47.9-178.7-68.3173.4000113I285 F286 Y289 I519 I525 L526 S527 L541I285-L523 HydrophobicContact CG2-CD1 4.02Å; F286-L523 HydrophobicContact CB-CD1 4.28Å; F286-L523 HydrophobicContact CD2-CD2 4.03Å; Y289-L523 HydrophobicContact CD1-CB 3.91Å; Y289-L523 HydrophobicContact CD1-CD1 4.11Å; Y289-L523 HydrophobicContact CD1-CD2 4.48Å; Y289-L523 HydrophobicContact CD1-CG 4.4Å; Y289-L523 HydrophobicContact CD2-CB 3.86Å; Y289-L523 HydrophobicContact CD2-CD1 4.28Å; Y289-L523 HydrophobicContact CE1-CB 3.93Å; Y289-L523 HydrophobicContact CE2-CB 3.87Å; Y289-L523 HydrophobicContact CG-CB 3.89Å; Y289-L523 HydrophobicContact CG-CD1 3.76Å; Y289-L523 HydrophobicContact CG-CG 4.39Å; Y289-L523 PolarHBondContact OH-O 2.95Å; I519-L523 HydrophobicContact CD1-CD1 4.18Å; I519-L523 HydrophobicContact CD1-CD2 3.71Å; I519-L523 HydrophobicContact CD1-CG 3.65Å; I519-L523 HydrophobicContact CG1-CD1 3.72Å; I519-L523 HydrophobicContact CG1-CD2 4.2Å; I519-L523 HydrophobicContact CG1-CG 3.73Å; I519-L523 WeakPolarHBondContact O-CG 3.33Å; I519-L523 PolarHBondContact O-N 3.39Å; L523-I525 PolarHBondContact O-N 2.72Å; L523-I525 VanDerWaalsContact O-N 3.12Å; L523-L526 PolarHBondContact O-N 3.4Å; L523-S527 WeakPolarHBondContact O-CB 3.32Å; L523-S527 PolarHBondContact O-N 3.16Å; L523-L541 HydrophobicContact CD2-CB 4.28Å; L523-L541 HydrophobicContact CD2-CD2 3.73Å; L523-L541 HydrophobicContact CD2-CG 4.49Å
524P85.8Confident87.5Confident7 Ų713.1 Ų13.15%0.0457%0.069CC..Hα-helixtrans-63.2-15.9176-20.633.3000115Y289 L470 A471 T520 P528Y289-P524 HydrophobicContact CE2-CB 4.45Å; Y289-P524 HydrophobicContact CE2-CG 3.97Å; Y289-P524 WeakPolarHBondContact OH-CA 3.5Å; L470-P524 HydrophobicContact CD2-CG 4.29Å; A471-P524 HydrophobicContact CB-CG 4.29Å; T520-P524 WeakPolarHBondContact O-CD 3.48Å; P524-P528 WeakPolarHBondContact O-CD 3.42Å; P524-P528 VanDerWaalsContact O-CG 3.26Å; P524-P528 WeakPolarHBondContact O-CG 3.46Å
525I85.7Confident87.5Confident45 Ų4512.4 Ų12.423%0.2316%0.063CC..Hα-helixtrans-94.8-43.9179.1-61.3172.5000110.1V483 I521 F522 L523 L529V483-I525 HydrophobicContact CG1-CG2 4.06Å; I521-I525 HydrophobicContact CG2-CD1 4.22Å; I521-I525 WeakPolarHBondContact O-CD1 3.24Å; I521-I525 WeakPolarHBondContact O-CG1 3.43Å; F522-I525 PolarHBondContact O-N 3.36Å; L523-I525 PolarHBondContact O-N 2.72Å; L523-I525 VanDerWaalsContact O-N 3.12Å; I525-L529 WeakPolarHBondContact O-CB 3.43Å; I525-L529 PolarHBondContact O-N 3.41Å
526L89.7Confident87.6Confident9 Ų912 Ų125%0.0476%0.061CC..Hα-helixtrans-77-28.1-175.4-66.7175.4000113A502 F522 L523 L529 A530 V540 L541 T544A502-L526 HydrophobicContact CB-CD2 4.05Å; F522-L526 HydrophobicContact CB-CD1 3.94Å; F522-L526 HydrophobicContact CB-CG 4.35Å; F522-L526 WeakPolarHBondContact O-CB 3.46Å; F522-L526 VanDerWaalsContact O-CG 3.29Å; F522-L526 WeakPolarHBondContact O-CG 3.2Å; F522-L526 PolarHBondContact O-N 3.46Å; L523-L526 PolarHBondContact O-N 3.4Å; L526-L529 HydrophobicContact CD2-CD2 3.96Å; L526-L529 WeakPolarHBondContact O-CB 3.48Å; L526-A530 PolarHBondContact O-N 3.17Å; L526-V540 HydrophobicContact CB-CG1 4.19Å; L526-V540 HydrophobicContact CD2-CG1 4.27Å; L526-L541 HydrophobicContact CB-CD2 3.66Å; L526-T544 HydrophobicContact CD1-CG2 3.69Å; L526-T544 WeakPolarHBondContact CD1-OG1 3.49Å
527S89.6Confident87.9Confident0 Ų011.9 Ų11.90%06%0.06CC..Hα-helixtrans-67.6-55.2177.3175.80000111.6Y289 Y294 L523 L529 A530 E531Y289-S527 WeakPolarHBondContact OH-CB 3.14Å; Y294-S527 WeakPolarHBondContact CE2-OG 3.25Å; Y294-S527 VanDerWaalsContact CZ-OG 3.28Å; Y294-S527 PolarHBondContact OH-OG 3.48Å; L523-S527 WeakPolarHBondContact O-CB 3.32Å; L523-S527 PolarHBondContact O-N 3.16Å; S527-L529 PolarHBondContact O-N 2.84Å; S527-A530 WeakPolarHBondContact O-CB 3.41Å; S527-A530 PolarHBondContact O-N 3.11Å; S527-E531 WeakPolarHBondContact O-CG 3.46Å; S527-E531 PolarHBondContact O-N 3.25Å; S527-E531 PolarHBondContact OG-OE1 3.46Å
528P84.6Confident88.2Confident4 Ų411.9 Ų11.93%0.0266%0.06CC..Hα-helixtrans-63.3-29.5176.3-21.434.8000112.7S480 A484 P524 A532S480-P528 VanDerWaalsContact O-CB 3.23Å; S480-P528 WeakPolarHBondContact O-CB 3.5Å; A484-P528 HydrophobicContact CB-CB 4.22Å; P524-P528 WeakPolarHBondContact O-CD 3.42Å; P524-P528 VanDerWaalsContact O-CG 3.26Å; P524-P528 WeakPolarHBondContact O-CG 3.46Å; P528-A532 VanDerWaalsContact O-CB 3.28Å; P528-A532 WeakPolarHBondContact O-CB 3.35Å; P528-A532 PolarHBondContact O-N 3.26Å
529L85.3Confident88.3Confident9 Ų913.5 Ų13.55%0.0477%0.067CC..Hα-helixtrans-59-49.1170.6166.264.8000111.4L487 I525 L526 S527 E531 A532 I533L487-L529 HydrophobicContact CB-CD1 3.6Å; L487-L529 HydrophobicContact CD1-CB 3.81Å; L487-L529 HydrophobicContact CD1-CD1 3.81Å; L487-L529 HydrophobicContact CD1-CD2 4.37Å; L487-L529 HydrophobicContact CD1-CG 4.19Å; L487-L529 HydrophobicContact CG-CD1 4.22Å; I525-L529 WeakPolarHBondContact O-CB 3.43Å; I525-L529 PolarHBondContact O-N 3.41Å; L526-L529 HydrophobicContact CD2-CD2 3.96Å; L526-L529 WeakPolarHBondContact O-CB 3.48Å; S527-L529 PolarHBondContact O-N 2.84Å; L529-E531 VanDerWaalsContact C-N 3.34Å; L529-A532 WeakPolarHBondContact O-CB 3.35Å; L529-A532 PolarHBondContact O-N 3.23Å; L529-I533 HydrophobicContact CD1-CG2 4.11Å; L529-I533 WeakPolarHBondContact O-CG1 3.23Å; L529-I533 PolarHBondContact O-N 2.8Å
530A88.8Confident88.3Confident0 Ų013.6 Ų13.60%07%0.067CC..Hα-helixtrans-63.5-41.3-179.400000111.8L526 S527 A532 I533 H534 V535 P537 V540L526-A530 PolarHBondContact O-N 3.17Å; S527-A530 WeakPolarHBondContact O-CB 3.41Å; S527-A530 PolarHBondContact O-N 3.11Å; A530-A532 VanDerWaalsContact C-N 3.35Å; A530-I533 PolarHBondContact O-N 3.1Å; A530-H534 PolarHBondContact O-N 3.44Å; A530-V535 CarbonylContact C-O 3.49Å; A530-V535 PolarHBondContact O-N 3.41Å; A530-V535 VanDerWaalsContact O-O 3.13Å; A530-P537 HydrophobicContact CB-CB 4.25Å; A530-P537 HydrophobicContact CB-CG 4.43Å; A530-V540 HydrophobicContact CB-CB 4.34Å; A530-V540 HydrophobicContact CB-CG2 3.93Å
531E87.1Confident88.6Confident16 Ų1613.4 Ų13.48%0.0757%0.066CC..Hα-helixtrans-59.4-44.6173-63.9161.2-134.500111.1Y294 S527 L529 H534 L614Y294-E531 PolarHBondContact OH-OE1 2.94Å; S527-E531 WeakPolarHBondContact O-CG 3.46Å; S527-E531 PolarHBondContact O-N 3.25Å; S527-E531 PolarHBondContact OG-OE1 3.46Å; L529-E531 VanDerWaalsContact C-N 3.34Å; E531-H534 PolarHBondContact O-N 3.35Å; E531-L614 HydrophobicContact CB-CD1 4.33Å; E531-L614 HydrophobicContact CB-CG 4.37Å
532A82.6Confident89.1Confident2 Ų212.7 Ų12.72%0.0176%0.062CC..Hα-helixtrans-65.2-39.5-179.800000113.4A484 P528 L529 A530 H534 L614 F617A484-A532 HydrophobicContact CB-CB 3.66Å; P528-A532 VanDerWaalsContact O-CB 3.28Å; P528-A532 WeakPolarHBondContact O-CB 3.35Å; P528-A532 PolarHBondContact O-N 3.26Å; L529-A532 WeakPolarHBondContact O-CB 3.35Å; L529-A532 PolarHBondContact O-N 3.23Å; A530-A532 VanDerWaalsContact C-N 3.35Å; A532-H534 PolarHBondContact O-N 2.89Å; A532-L614 HydrophobicContact CB-CD1 4.1Å; A532-F617 VanDerWaalsContact O-CE1 3.31Å; A532-F617 WeakPolarHBondContact O-CE1 3.36Å; A532-F617 VanDerWaalsContact O-CE2 3.22Å; A532-F617 WeakPolarHBondContact O-CE2 3.41Å; A532-F617 WeakPolarHBondContact O-CZ 3.39Å
533I84.1Confident89.3Confident28 Ų2811.3 Ų11.314%0.1446%0.056CC..THydrogen-bonded Turntrans-86.38.1178.367.3177.7000112.7T498 L529 A530 V535T498-I533 HydrophobicContact CG2-CD1 4.37Å; L529-I533 HydrophobicContact CD1-CG2 4.11Å; L529-I533 WeakPolarHBondContact O-CG1 3.23Å; L529-I533 PolarHBondContact O-N 2.8Å; A530-I533 PolarHBondContact O-N 3.1Å; I533-V535 VanDerWaalsContact C-N 3.29Å; I533-V535 HydrophobicContact CD1-CB 4.1Å; I533-V535 HydrophobicContact CD1-CG2 3.82Å; I533-V535 HydrophobicContact CG1-CB 3.87Å; I533-V535 HydrophobicContact CG1-CG2 3.69Å; I533-V535 PolarHBondContact O-N 3.27Å
534H86.4Confident89.6Confident60 Ų6011.3 Ų11.328%0.2786%0.056SC..THydrogen-bonded Turntrans55.239.5-177.8-89.5-79.9000114.6A530 E531 A532 Y607 F617A530-H534 PolarHBondContact O-N 3.44Å; E531-H534 PolarHBondContact O-N 3.35Å; A532-H534 PolarHBondContact O-N 2.89Å; H534-Y607 VanDerWaalsContact C-CD2 3.48Å; H534-Y607 WeakPolarHBondContact O-CD2 3.41Å; H534-F617 VanDerWaalsContact CD2-CB 3.49Å; H534-F617 WeakPolarHBondContact CD2-CB 3.48Å; H534-F617 AromaticContact CD2-CD1 3.28Å; H534-F617 WeakPolarHBondContact CD2-CD1 3.47Å; H534-F617 AromaticContact CD2-CD2 3.92Å; H534-F617 AromaticContact CD2-CE1 3.94Å; H534-F617 AromaticContact CD2-CG 3.28Å; H534-F617 WeakPolarHBondContact CD2-CG 3.48Å; H534-F617 WeakPolarHBondContact NE2-CB 3.46Å; H534-F617 AromaticContact NE2-CD1 3.71Å; H534-F617 AromaticContact NE2-CD2 3.75Å; H534-F617 AromaticContact NE2-CG 3.18Å; H534-F617 WeakPolarHBondContact NE2-CG 3.16Å
535V88.6Confident90.1Very high16 Ų1611 Ų1110%0.0975%0.054CC..  trans-110144.3176.8170.40000109.4V495 A530 I533 P537 Y539 V540 Y607V495-V535 HydrophobicContact CB-CG2 4.29Å; V495-V535 HydrophobicContact CG1-CB 4.26Å; V495-V535 HydrophobicContact CG1-CG1 3.57Å; V495-V535 HydrophobicContact CG1-CG2 3.66Å; V495-V535 HydrophobicContact CG2-CG2 3.57Å; A530-V535 CarbonylContact C-O 3.49Å; A530-V535 PolarHBondContact O-N 3.41Å; A530-V535 VanDerWaalsContact O-O 3.13Å; I533-V535 VanDerWaalsContact C-N 3.29Å; I533-V535 HydrophobicContact CD1-CB 4.1Å; I533-V535 HydrophobicContact CD1-CG2 3.82Å; I533-V535 HydrophobicContact CG1-CB 3.87Å; I533-V535 HydrophobicContact CG1-CG2 3.69Å; I533-V535 PolarHBondContact O-N 3.27Å; V535-P537 VanDerWaalsContact O-CD 3.28Å; V535-P537 WeakPolarHBondContact O-CD 3.3Å; V535-P537 VanDerWaalsContact O-N 3.08Å; V535-Y539 HydrophobicContact CG1-CD1 4.08Å; V535-Y539 HydrophobicContact CG1-CG 4.45Å; V535-V540 HydrophobicContact CG1-CG2 4.38Å; V535-Y607 WeakPolarHBondContact O-CE2 3.27Å
536N91.5Very high90.6Very high3 Ų38.8 Ų8.82%0.0164%0.043CC..  trans-50.6119173.5-172.7-40.5000110.2L538 Y539 S603 T606N536-L538 PolarHBondContact O-N 3.46Å; N536-L538 VanDerWaalsContact O-N 3.09Å; N536-L538 VanDerWaalsContact OD1-CB 3.32Å; N536-L538 WeakPolarHBondContact OD1-CB 3.48Å; N536-L538 PolarHBondContact OD1-N 3.39Å; N536-Y539 WeakPolarHBondContact O-CB 3.35Å; N536-Y539 PolarHBondContact O-N 3.37Å; N536-S603 PolarHBondContact ND2-O 2.99Å; N536-T606 WeakPolarHBondContact CB-O 3.42Å; N536-T606 PolarHBondContact ND2-O 2.86Å
537P92.3Very high91Very high0 Ų08.4 Ų8.40%04%0.041CC..Hα-helixtrans-54.4-34.1-177.2-28.835.8000113.5Y294 A530 V535 Y539 V540 L541 W610 A611Y294-P537 HydrophobicContact CE1-CG 4.04Å; Y294-P537 HydrophobicContact CE2-CB 4.01Å; Y294-P537 HydrophobicContact CE2-CG 4.38Å; Y294-P537 VanDerWaalsContact OH-CB 3.27Å; Y294-P537 WeakPolarHBondContact OH-CB 3.2Å; Y294-P537 WeakPolarHBondContact OH-CG 3.36Å; A530-P537 HydrophobicContact CB-CB 4.25Å; A530-P537 HydrophobicContact CB-CG 4.43Å; V535-P537 VanDerWaalsContact O-CD 3.28Å; V535-P537 WeakPolarHBondContact O-CD 3.3Å; V535-P537 VanDerWaalsContact O-N 3.08Å; P537-Y539 PolarHBondContact O-N 3.13Å; P537-V540 PolarHBondContact O-N 3.21Å; P537-V540 VanDerWaalsContact O-N 3.16Å; P537-L541 HydrophobicContact CB-CD1 4.04Å; P537-L541 WeakPolarHBondContact O-CB 3.37Å; P537-L541 WeakPolarHBondContact O-CG 3.32Å; P537-L541 PolarHBondContact O-N 3.47Å; P537-W610 HydrophobicContact CB-CH2 4.38Å; P537-W610 HydrophobicContact CG-CH2 4.21Å; P537-W610 HydrophobicContact CG-CZ3 4.15Å; P537-A611 HydrophobicContact CG-CB 4.1Å
538L93.6Very high91.2Very high0 Ų08.4 Ų8.40%04%0.041CC..Hα-helixtrans-63.4-28.5178-59.4-177.4000112.7F286 L290 C299 I300 N536 V540 I542 F602 L604 W610F286-L538 HydrophobicContact CZ-CD2 4.26Å; L290-L538 HydrophobicContact CD1-CD2 3.44Å; L290-L538 VanDerWaalsContact CD1-CD2 3.44Å; L290-L538 HydrophobicContact CD2-CD2 3.83Å; L290-L538 HydrophobicContact CG-CD2 4.3Å; C299-L538 HydrophobicContact CB-CD1 4.31Å; I300-L538 HydrophobicContact CG1-CD1 4.48Å; I300-L538 HydrophobicContact CG1-CD2 4.19Å; N536-L538 PolarHBondContact O-N 3.46Å; N536-L538 VanDerWaalsContact O-N 3.09Å; N536-L538 VanDerWaalsContact OD1-CB 3.32Å; N536-L538 WeakPolarHBondContact OD1-CB 3.48Å; N536-L538 PolarHBondContact OD1-N 3.39Å; L538-V540 PolarHBondContact O-N 3.32Å; L538-I542 HydrophobicContact CB-CD1 3.9Å; L538-I542 HydrophobicContact CB-CG1 4.33Å; L538-I542 WeakPolarHBondContact O-CB 3.21Å; L538-I542 WeakPolarHBondContact O-CG1 3.48Å; L538-I542 PolarHBondContact O-N 3.03Å; L538-I542 VanDerWaalsContact O-N 3.16Å; L538-F602 HydrophobicContact CD1-CB 4.12Å; L538-F602 HydrophobicContact CD1-CD1 4.41Å; L538-F602 HydrophobicContact CD1-CG 4.4Å; L538-L604 HydrophobicContact CB-CD2 3.62Å; L538-W610 HydrophobicContact CD1-CH2 4.47Å; L538-W610 HydrophobicContact CD1-CZ2 4.07Å; L538-W610 HydrophobicContact CG-CH2 4.05Å; L538-W610 HydrophobicContact CG-CZ2 4.13Å
539Y92.4Very high91.7Very high35 Ų358.2 Ų8.214%0.1374%0.039CC..Hα-helixtrans-67.1-25178.9-159.8-112.9000112.6V495 V499 V535 N536 P537 P543 V594 L604V495-Y539 HydrophobicContact CB-CE1 4.33Å; V495-Y539 HydrophobicContact CG1-CD1 3.48Å; V495-Y539 VanDerWaalsContact CG1-CD1 3.48Å; V495-Y539 HydrophobicContact CG1-CE1 3.56Å; V499-Y539 HydrophobicContact CG2-CD1 3.96Å; V499-Y539 HydrophobicContact CG2-CE1 4.28Å; V499-Y539 WeakPolarHBondContact CG2-O 3.5Å; V535-Y539 HydrophobicContact CG1-CD1 4.08Å; V535-Y539 HydrophobicContact CG1-CG 4.45Å; N536-Y539 WeakPolarHBondContact O-CB 3.35Å; N536-Y539 PolarHBondContact O-N 3.37Å; P537-Y539 PolarHBondContact O-N 3.13Å; Y539-P543 WeakPolarHBondContact O-CD 3.44Å; Y539-P543 WeakPolarHBondContact O-CG 3.41Å; Y539-V594 HydrophobicContact CD2-CG1 3.31Å; Y539-V594 HydrophobicContact CE2-CG1 3.32Å; Y539-V594 HydrophobicContact CG-CG1 4.1Å; Y539-L604 HydrophobicContact CD2-CB 3.52Å; Y539-L604 HydrophobicContact CD2-CD1 3.74Å; Y539-L604 HydrophobicContact CD2-CD2 4.49Å; Y539-L604 HydrophobicContact CD2-CG 4.08Å; Y539-L604 HydrophobicContact CE2-CB 4.1Å; Y539-L604 HydrophobicContact CE2-CD1 4.31Å; Y539-L604 HydrophobicContact CG-CB 4.39Å
540V92.4Very high92.2Very high2 Ų27.8 Ų7.81%0.0124%0.037CC..Hα-helixtrans-97.9-48175.7-1750000110.7V499 L526 A530 V535 P537 L538 P543 T544V499-V540 HydrophobicContact CG2-CG2 4.06Å; L526-V540 HydrophobicContact CB-CG1 4.19Å; L526-V540 HydrophobicContact CD2-CG1 4.27Å; A530-V540 HydrophobicContact CB-CB 4.34Å; A530-V540 HydrophobicContact CB-CG2 3.93Å; V535-V540 HydrophobicContact CG1-CG2 4.38Å; P537-V540 PolarHBondContact O-N 3.21Å; P537-V540 VanDerWaalsContact O-N 3.16Å; L538-V540 PolarHBondContact O-N 3.32Å; V540-P543 VanDerWaalsContact O-CD 3.3Å; V540-P543 WeakPolarHBondContact O-CD 3.49Å; V540-P543 WeakPolarHBondContact O-CG 3.44Å; V540-T544 WeakPolarHBondContact O-CG2 3.34Å; V540-T544 PolarHBondContact O-N 3.16Å; V540-T544 PolarHBondContact O-OG1 3.36Å
541L94.7Very high92.4Very high0 Ų07.8 Ų7.80%04%0.037CC..Hα-helixtrans-72.8-38.1-168.4-60.5173.8000113.4F286 Y289 L290 Y294 L523 L526 P537 T544 T545F286-L541 HydrophobicContact CD2-CB 4.17Å; F286-L541 HydrophobicContact CE2-CB 3.6Å; Y289-L541 HydrophobicContact CE1-CD1 4.39Å; L290-L541 HydrophobicContact CD2-CD1 3.96Å; Y294-L541 HydrophobicContact CE2-CD1 4.32Å; L523-L541 HydrophobicContact CD2-CB 4.28Å; L523-L541 HydrophobicContact CD2-CD2 3.73Å; L523-L541 HydrophobicContact CD2-CG 4.49Å; L526-L541 HydrophobicContact CB-CD2 3.66Å; P537-L541 HydrophobicContact CB-CD1 4.04Å; P537-L541 WeakPolarHBondContact O-CB 3.37Å; P537-L541 WeakPolarHBondContact O-CG 3.32Å; P537-L541 PolarHBondContact O-N 3.47Å; L541-T544 PolarHBondContact O-OG1 3.05Å; L541-T544 VanDerWaalsContact O-OG1 3.11Å; L541-T545 VanDerWaalsContact O-CB 3.27Å; L541-T545 WeakPolarHBondContact O-CB 3.4Å; L541-T545 PolarHBondContact O-N 3.05Å; L541-T545 PolarHBondContact O-OG1 3.36Å
542I95.4Very high92.8Very high1 Ų17 Ų71%0.0053%0.034CC..Hα-helixtrans-60.3-57.4176.9-65.7173000111F286 I300 M308 L538 T544 T545 L546 F602F286-I542 HydrophobicContact CE1-CG1 4.3Å; F286-I542 HydrophobicContact CE2-CG1 4.25Å; F286-I542 HydrophobicContact CZ-CG1 3.57Å; I300-I542 HydrophobicContact CD1-CD1 4.05Å; M308-I542 HydrophobicContact CE-CG2 4.47Å; L538-I542 HydrophobicContact CB-CD1 3.9Å; L538-I542 HydrophobicContact CB-CG1 4.33Å; L538-I542 WeakPolarHBondContact O-CB 3.21Å; L538-I542 WeakPolarHBondContact O-CG1 3.48Å; L538-I542 PolarHBondContact O-N 3.03Å; L538-I542 VanDerWaalsContact O-N 3.16Å; I542-T544 VanDerWaalsContact C-N 3.33Å; I542-T544 PolarHBondContact O-N 2.76Å; I542-T545 WeakPolarHBondContact O-CB 3.35Å; I542-T545 PolarHBondContact O-N 2.94Å; I542-L546 HydrophobicContact CG2-CD1 4.19Å; I542-L546 WeakPolarHBondContact O-CG 3.17Å; I542-L546 PolarHBondContact O-N 3.27Å; I542-F602 HydrophobicContact CD1-CD2 3.89Å; I542-F602 HydrophobicContact CD1-CE2 3.83Å; I542-F602 HydrophobicContact CD1-CG 4.48Å; I542-F602 HydrophobicContact CD1-CZ 4.4Å
543P95.8Very high93.3Very high0 Ų08.4 Ų8.40%04%0.04CC..Hα-helixtrans-64.1-37.1-17623.2-33000112.8V499 Y539 V540 T545 L546 C547 V590 V594V499-P543 HydrophobicContact CG1-CB 4.1Å; V499-P543 HydrophobicContact CG1-CG 3.54Å; Y539-P543 WeakPolarHBondContact O-CD 3.44Å; Y539-P543 WeakPolarHBondContact O-CG 3.41Å; V540-P543 VanDerWaalsContact O-CD 3.3Å; V540-P543 WeakPolarHBondContact O-CD 3.49Å; V540-P543 WeakPolarHBondContact O-CG 3.44Å; P543-T545 VanDerWaalsContact C-N 3.35Å; P543-L546 PolarHBondContact O-N 3.27Å; P543-C547 WeakPolarHBondContact O-CB 3.42Å; P543-C547 PolarHBondContact O-N 3.06Å; P543-C547 PolarHBondContact O-SG 3.38Å; P543-V590 VanDerWaalsContact CA-CG1 3.44Å; P543-V590 HydrophobicContact CB-CG1 3.3Å; P543-V594 HydrophobicContact CB-CG2 4.05Å; P543-V594 HydrophobicContact CG-CG2 4.13Å
544T95.8Very high93.6Very high0 Ų09.8 Ų9.80%05%0.048CC..Hα-helixtrans-67-37.2175.8550000112.1A502 V506 L526 V540 L541 I542 C547 T548A502-T544 HydrophobicContact CB-CG2 3.8Å; V506-T544 HydrophobicContact CG2-CG2 4.43Å; L526-T544 HydrophobicContact CD1-CG2 3.69Å; L526-T544 WeakPolarHBondContact CD1-OG1 3.49Å; V540-T544 WeakPolarHBondContact O-CG2 3.34Å; V540-T544 PolarHBondContact O-N 3.16Å; V540-T544 PolarHBondContact O-OG1 3.36Å; L541-T544 PolarHBondContact O-OG1 3.05Å; L541-T544 VanDerWaalsContact O-OG1 3.11Å; I542-T544 VanDerWaalsContact C-N 3.33Å; I542-T544 PolarHBondContact O-N 2.76Å; T544-C547 PolarHBondContact O-N 2.82Å; T544-T548 WeakPolarHBondContact O-CG2 3.43Å; T544-T548 PolarHBondContact O-N 3.03Å; T544-T548 VanDerWaalsContact O-N 3.09Å
545T96.3Very high93.6Very high0 Ų07.7 Ų7.70%04%0.04CC..Hα-helixtrans-60-49.2174.3-61.50000110.9P282 F286 W305 I519 L541 I542 P543 C547 T548P282-T545 HydrophobicContact CB-CG2 4.29Å; F286-T545 HydrophobicContact CB-CG2 3.48Å; F286-T545 VanDerWaalsContact CB-CG2 3.48Å; F286-T545 HydrophobicContact CD1-CG2 4.49Å; F286-T545 HydrophobicContact CD2-CG2 4.47Å; F286-T545 VanDerWaalsContact CD2-OG1 3.23Å; F286-T545 WeakPolarHBondContact CD2-OG1 3.23Å; F286-T545 HydrophobicContact CG-CG2 3.91Å; F286-T545 WeakPolarHBondContact CG-OG1 3.41Å; W305-T545 HydrophobicContact CH2-CG2 4.29Å; I519-T545 HydrophobicContact CG1-CG2 4.48Å; L541-T545 VanDerWaalsContact O-CB 3.27Å; L541-T545 WeakPolarHBondContact O-CB 3.4Å; L541-T545 PolarHBondContact O-N 3.05Å; L541-T545 PolarHBondContact O-OG1 3.36Å; I542-T545 WeakPolarHBondContact O-CB 3.35Å; I542-T545 PolarHBondContact O-N 2.94Å; P543-T545 VanDerWaalsContact C-N 3.35Å; T545-C547 VanDerWaalsContact C-N 3.31Å; T545-C547 PolarHBondContact O-N 3.17Å; T545-T548 PolarHBondContact O-N 3.41Å; T545-T548 PolarHBondContact O-OG1 3.24Å
546L96.8Very high93.4Very high0 Ų013.5 Ų13.50%08%0.075CC..Hα-helixtrans-61.7-41.3178.2-62.8177000111.5I274 W305 I312 I542 P543 T548 S549 V590I274-L546 HydrophobicContact CB-CD2 4.04Å; I274-L546 HydrophobicContact CG2-CD2 4.39Å; W305-L546 HydrophobicContact CH2-CD2 4.09Å; W305-L546 HydrophobicContact CZ2-CD2 3.77Å; I312-L546 HydrophobicContact CD1-CD1 3.68Å; I542-L546 HydrophobicContact CG2-CD1 4.19Å; I542-L546 WeakPolarHBondContact O-CG 3.17Å; I542-L546 PolarHBondContact O-N 3.27Å; P543-L546 PolarHBondContact O-N 3.27Å; L546-T548 VanDerWaalsContact C-N 3.29Å; L546-T548 PolarHBondContact O-N 2.87Å; L546-S549 WeakPolarHBondContact O-CB 3.4Å; L546-S549 PolarHBondContact O-N 3.14Å; L546-V590 HydrophobicContact CB-CG2 3.95Å; L546-V590 HydrophobicContact CD1-CG1 4.32Å; L546-V590 HydrophobicContact CD1-CG2 3.96Å
547C96.4Very high93.1Very high0 Ų013.7 Ų13.70%08%0.077CC..Hα-helixtrans-64.1-27.3178.8-70.90000114.1C503 V506 T507 P543 T544 T545 S549 F550C503-C547 HydrophobicContact CB-CB 4.34Å; V506-C547 HydrophobicContact CG1-CB 4.48Å; T507-C547 WeakPolarHBondContact OG1-CB 3.38Å; P543-C547 WeakPolarHBondContact O-CB 3.42Å; P543-C547 PolarHBondContact O-N 3.06Å; P543-C547 PolarHBondContact O-SG 3.38Å; T544-C547 PolarHBondContact O-N 2.82Å; T545-C547 VanDerWaalsContact C-N 3.31Å; T545-C547 PolarHBondContact O-N 3.17Å; C547-S549 PolarHBondContact O-N 3.34Å; C547-S549 VanDerWaalsContact O-N 3.17Å; C547-F550 HydrophobicContact CB-CD2 4.18Å; C547-F550 HydrophobicContact CB-CE2 4.4Å; C547-F550 WeakPolarHBondContact O-CB 3.48Å; C547-F550 PolarHBondContact O-N 3.1Å
548T95.4Very high92.9Very high0 Ų014.2 Ų14.20%08%0.079CC..Hα-helixtrans-62-22.1172.261.50000113.3P282 V506 T510 N515 T518 I519 T544 T545 L546 F550P282-T548 WeakPolarHBondContact CB-OG1 3.45Å; P282-T548 WeakPolarHBondContact CG-OG1 3.2Å; V506-T548 HydrophobicContact CG1-CG2 3.2Å; T510-T548 WeakPolarHBondContact CB-O 3.35Å; T510-T548 WeakPolarHBondContact CG2-O 3.5Å; T510-T548 PolarHBondContact OG1-O 3.05Å; N515-T548 PolarHBondContact OD1-O 2.92Å; T518-T548 HydrophobicContact CG2-CG2 3.91Å; I519-T548 HydrophobicContact CB-CG2 3.87Å; I519-T548 HydrophobicContact CD1-CG2 3.86Å; I519-T548 HydrophobicContact CG1-CG2 4.33Å; T544-T548 WeakPolarHBondContact O-CG2 3.43Å; T544-T548 PolarHBondContact O-N 3.03Å; T544-T548 VanDerWaalsContact O-N 3.09Å; T545-T548 PolarHBondContact O-N 3.41Å; T545-T548 PolarHBondContact O-OG1 3.24Å; L546-T548 VanDerWaalsContact C-N 3.29Å; L546-T548 PolarHBondContact O-N 2.87Å; T548-F550 VanDerWaalsContact C-N 3.3Å
549S94.8Very high92.7Very high0 Ų017.9 Ų17.90%010%0.103CC..THydrogen-bonded Turntrans-85.1-3.7177.2-61.20000113.2I274 L546 C547 S551I274-S549 VanDerWaalsContact CG2-CB 3.46Å; L546-S549 WeakPolarHBondContact O-CB 3.4Å; L546-S549 PolarHBondContact O-N 3.14Å; C547-S549 PolarHBondContact O-N 3.34Å; C547-S549 VanDerWaalsContact O-N 3.17Å; S549-S551 PolarHBondContact O-N 3.24Å; S549-S551 VanDerWaalsContact O-N 3.1Å
550F95.3Very high92.7Very high1 Ų116.2 Ų16.20%0.00410%0.097CC..  trans-8748.8179.7-57.7-15.9000112.2I274 M316 T507 C547 T548 F552 N583 V590I274-F550 HydrophobicContact CD1-CE1 4.37Å; M316-F550 HydrophobicContact CE-CD1 4.05Å; M316-F550 HydrophobicContact CE-CE1 3.56Å; M316-F550 HydrophobicContact CE-CZ 3.87Å; M316-F550 HydrophobicContact SD-CE1 3.66Å; M316-F550 HydrophobicContact SD-CZ 3.64Å; T507-F550 HydrophobicContact CG2-CB 4.05Å; C547-F550 HydrophobicContact CB-CD2 4.18Å; C547-F550 HydrophobicContact CB-CE2 4.4Å; C547-F550 WeakPolarHBondContact O-CB 3.48Å; C547-F550 PolarHBondContact O-N 3.1Å; T548-F550 VanDerWaalsContact C-N 3.3Å; F550-F552 HydrophobicContact CB-CD2 4.03Å; F550-F552 HydrophobicContact CB-CE2 3.8Å; F550-F552 AromaticContact CD1-CE2 3.73Å; F550-F552 HydrophobicContact CD1-CE2 3.73Å; F550-F552 HydrophobicContact CD1-CZ 4.24Å; F550-F552 AromaticContact CG-CE2 3.99Å; F550-F552 HydrophobicContact CG-CE2 3.99Å; F550-F552 PolarHBondContact O-N 3.23Å; F550-N583 PolarHBondContact O-OD1 2.82Å; F550-V590 HydrophobicContact CE2-CG2 3.9Å; F550-V590 HydrophobicContact CZ-CG2 3.62Å
551S93.3Very high92.7Very high0 Ų016.1 Ų16.10%010%0.096CC..  trans-84.782.6169.335.80000110N270 E511 N515 S549 N558 N561N270-S551 PolarHBondContact ND2-O 3.21Å; E511-S551 WeakPolarHBondContact OE1-CA 3.5Å; N515-S551 PolarHBondContact ND2-OG 3.23Å; N515-S551 PolarHBondContact OD1-OG 3.03Å; S549-S551 PolarHBondContact O-N 3.24Å; S549-S551 VanDerWaalsContact O-N 3.1Å; S551-N558 PolarHBondContact OG-ND2 3.3Å; S551-N561 PolarHBondContact O-ND2 3.35Å
552F95.2Very high92.5Very high0 Ų018.2 Ų18.20%011%0.114CC..  trans-114.2-13.6-174.8-61.7-57.2000113.9Y267 N270 I271 M316 E511 F550 V582 N583Y267-F552 HydrophobicContact CD1-CB 4.31Å; Y267-F552 AromaticContact CD1-CD1 3.45Å; Y267-F552 HydrophobicContact CD1-CD1 3.45Å; Y267-F552 VanDerWaalsContact CD1-CD1 3.45Å; Y267-F552 HydrophobicContact CD1-CE1 4.16Å; Y267-F552 HydrophobicContact CD1-CG 4.27Å; Y267-F552 HydrophobicContact CD2-CD1 4.45Å; Y267-F552 HydrophobicContact CE1-CB 3.94Å; Y267-F552 AromaticContact CE1-CD1 3.95Å; Y267-F552 HydrophobicContact CE1-CD1 3.95Å; Y267-F552 HydrophobicContact CE1-CG 4.4Å; Y267-F552 WeakPolarHBondContact CE1-O 3.39Å; Y267-F552 AromaticContact CG-CD1 3.75Å; Y267-F552 HydrophobicContact CG-CD1 3.75Å; Y267-F552 HydrophobicContact CG-CE1 4.16Å; Y267-F552 PolarHBondContact OH-O 3Å; N270-F552 HydrophobicContact CB-CE1 3.64Å; N270-F552 HydrophobicContact CB-CZ 4.01Å; I271-F552 HydrophobicContact CG1-CZ 4.04Å; M316-F552 HydrophobicContact CE-CE2 4.2Å; M316-F552 HydrophobicContact CE-CZ 4.46Å; E511-F552 PolarHBondContact OE1-N 3.35Å; F550-F552 HydrophobicContact CB-CD2 4.03Å; F550-F552 HydrophobicContact CB-CE2 3.8Å; F550-F552 AromaticContact CD1-CE2 3.73Å; F550-F552 HydrophobicContact CD1-CE2 3.73Å; F550-F552 HydrophobicContact CD1-CZ 4.24Å; F550-F552 AromaticContact CG-CE2 3.99Å; F550-F552 HydrophobicContact CG-CE2 3.99Å; F550-F552 PolarHBondContact O-N 3.23Å; F552-V582 HydrophobicContact CD1-CG1 4.38Å; F552-V582 HydrophobicContact CD2-CB 3.99Å; F552-V582 HydrophobicContact CD2-CG1 3.47Å; F552-V582 VanDerWaalsContact CD2-CG1 3.47Å; F552-V582 HydrophobicContact CE1-CG1 4.32Å; F552-V582 HydrophobicContact CE2-CB 4.48Å; F552-V582 HydrophobicContact CE2-CG1 3.5Å; F552-V582 VanDerWaalsContact CE2-CG1 3.5Å; F552-V582 HydrophobicContact CG-CB 4.32Å; F552-V582 HydrophobicContact CG-CG1 3.99Å; F552-V582 HydrophobicContact CZ-CG1 3.95Å; F552-N583 WeakPolarHBondContact CB-OD1 3.48Å; F552-N583 WeakPolarHBondContact CD2-OD1 3.22Å
553L93.5Very high92.2Very high30 Ų3019.8 Ų19.816%0.15712%0.123CC..SBendtrans-82-45.7-171.5-62.1179.7000114.2E511 M575 V576 G579 L580E511-L553 VanDerWaalsContact CD-CB 3.47Å; E511-L553 VanDerWaalsContact CD-N 3.3Å; E511-L553 HydrophobicContact CG-CB 4.21Å; E511-L553 HydrophobicContact CG-CD1 3.93Å; E511-L553 HydrophobicContact CG-CG 4.14Å; E511-L553 VanDerWaalsContact OE1-CG 3.26Å; E511-L553 WeakPolarHBondContact OE1-CG 3.11Å; E511-L553 PolarHBondContact OE1-N 2.93Å; E511-L553 WeakPolarHBondContact OE2-CB 3.49Å; E511-L553 PolarHBondContact OE2-N 2.85Å; L553-M575 CarbonylContact O-C 3.57Å; L553-M575 WeakPolarHBondContact O-CG 3.37Å; L553-V576 HydrophobicContact CD2-CG1 4.48Å; L553-V576 WeakPolarHBondContact CD2-O 3.29Å; L553-V576 WeakPolarHBondContact O-CG2 3.15Å; L553-V576 PolarHBondContact O-N 2.64Å; L553-G579 VanDerWaalsContact CD2-C 3.46Å; L553-L580 HydrophobicContact CD1-CD2 4.12Å; L553-L580 HydrophobicContact CD2-CB 4.12Å; L553-L580 HydrophobicContact CD2-CD2 3.78Å; L553-L580 HydrophobicContact CD2-CG 3.53Å
554L91.1Very high92.1Very high58 Ų5819.8 Ų19.830%0.30412%0.123SC..  trans-110.6147-168.7-62178.9000112.3E511 V512 V556 S557 N561 V572 V576E511-L554 PolarHBondContact OE2-N 2.98Å; V512-L554 HydrophobicContact CG1-CD1 4.49Å; L554-V556 PolarHBondContact O-N 3.2Å; L554-S557 PolarHBondContact O-N 2.77Å; L554-S557 PolarHBondContact O-OG 3.36Å; L554-N561 PolarHBondContact O-ND2 3.42Å; L554-N561 VanDerWaalsContact O-ND2 3.17Å; L554-V572 HydrophobicContact CD2-CG1 4.42Å; L554-V576 HydrophobicContact CD2-CG2 4.09Å
555P86.3Confident91.7Very high15 Ų1523.2 Ų23.210%0.09714%0.138CC..SBendtrans-61.5-32.4173.2-24.534.3000113A562 F565 V572 M575P555-A562 WeakPolarHBondContact O-CA 3.28Å; P555-A562 WeakPolarHBondContact O-CB 3.45Å; P555-A562 PolarHBondContact O-N 3.29Å; P555-A562 VanDerWaalsContact O-N 3.12Å; P555-F565 HydrophobicContact CB-CB 4.01Å; P555-F565 HydrophobicContact CB-CD1 4.29Å; P555-F565 HydrophobicContact CB-CD2 4Å; P555-F565 HydrophobicContact CB-CG 3.84Å; P555-F565 HydrophobicContact CG-CB 4.45Å; P555-F565 HydrophobicContact CG-CD1 4.45Å; P555-F565 HydrophobicContact CG-CD2 3.53Å; P555-F565 HydrophobicContact CG-CE2 3.81Å; P555-F565 HydrophobicContact CG-CG 3.9Å; P555-F565 HydrophobicContact CG-CZ 4.38Å; P555-V572 HydrophobicContact CG-CG2 4.25Å; P555-M575 HydrophobicContact CB-SD 4.43Å; P555-M575 HydrophobicContact CG-SD 3.97Å
556V83.8Confident91.3Very high138 Ų13827.2 Ų27.284%0.83617%0.171SC*.SBendtrans-82-19-175.6-1730000111.8L554 N558L554-V556 PolarHBondContact O-N 3.2Å; V556-N558 VanDerWaalsContact C-N 3.25Å; V556-N558 PolarHBondContact O-N 3.18Å
557S85.4Confident90.7Very high8 Ų831 Ų316%0.05619%0.186CC..SBendtrans-68.8-23.3-174.263.80000113.9E511 L554 N561E511-S557 WeakPolarHBondContact O-CB 3.27Å; E511-S557 VanDerWaalsContact OE2-CB 3.29Å; E511-S557 WeakPolarHBondContact OE2-CB 3.27Å; E511-S557 PolarHBondContact OE2-OG 3.46Å; L554-S557 PolarHBondContact O-N 2.77Å; L554-S557 PolarHBondContact O-OG 3.36Å; S557-N561 PolarHBondContact OG-ND2 3.16Å
558N88.4Confident89.9Confident10 Ų1033.3 Ų33.35%0.05321%0.21CC..  trans-146.7136.7176.7-160.4-46.5000110.6N270 N515 S551 V556 S560 N561 A562N270-N558 PolarHBondContact ND2-ND2 3.21Å; N270-N558 PolarHBondContact OD1-ND2 3.12Å; N515-N558 PolarHBondContact ND2-ND2 2.95Å; S551-N558 PolarHBondContact OG-ND2 3.3Å; V556-N558 VanDerWaalsContact C-N 3.25Å; V556-N558 PolarHBondContact O-N 3.18Å; N558-S560 PolarHBondContact O-N 3.24Å; N558-S560 PolarHBondContact OD1-N 3.4Å; N558-S560 PolarHBondContact OD1-OG 2.7Å; N558-N561 HydrophobicContact CB-CB 4.29Å; N558-N561 VanDerWaalsContact O-CB 3.27Å; N558-N561 WeakPolarHBondContact O-CB 3.18Å; N558-N561 PolarHBondContact O-N 2.94Å; N558-A562 PolarHBondContact O-N 2.6Å; N558-A562 VanDerWaalsContact O-N 3.15Å
559P88.6Confident89.3Confident78 Ų7834.9 Ų34.951%0.50622%0.217SC..Hα-helixtrans-59.6-28.1176.4-22.831.7000113.7T143 N561 A562 V563T143-P559 HydrophobicContact CG2-CB 3.87Å; T143-P559 WeakPolarHBondContact OG1-CB 3.43Å; P559-N561 VanDerWaalsContact C-N 3.33Å; P559-N561 PolarHBondContact O-N 3.46Å; P559-A562 PolarHBondContact O-N 2.83Å; P559-V563 WeakPolarHBondContact O-CG2 3.28Å; P559-V563 PolarHBondContact O-N 3.26Å
560S91.7Very high89Confident0 Ų035.3 Ų35.30%022%0.22CC..Hα-helixtrans-60.6-41.8172.556.70000112.2S269 N270 N558 V563 V564S269-S560 WeakPolarHBondContact OG-CB 3.49Å; N270-S560 PolarHBondContact OD1-OG 3.32Å; N270-S560 VanDerWaalsContact OD1-OG 3.11Å; N558-S560 PolarHBondContact O-N 3.24Å; N558-S560 PolarHBondContact OD1-N 3.4Å; N558-S560 PolarHBondContact OD1-OG 2.7Å; S560-V563 PolarHBondContact O-N 3.08Å; S560-V564 PolarHBondContact O-N 2.96Å
561N93.3Very high88.8Confident0 Ų038.5 Ų38.50%024%0.239CC..Hα-helixtrans-63.7-44.9175.8-68-7.1000111.4S551 L554 S557 N558 P559 V563 V564 F565 M575S551-N561 PolarHBondContact O-ND2 3.35Å; L554-N561 PolarHBondContact O-ND2 3.42Å; L554-N561 VanDerWaalsContact O-ND2 3.17Å; S557-N561 PolarHBondContact OG-ND2 3.16Å; N558-N561 HydrophobicContact CB-CB 4.29Å; N558-N561 VanDerWaalsContact O-CB 3.27Å; N558-N561 WeakPolarHBondContact O-CB 3.18Å; N558-N561 PolarHBondContact O-N 2.94Å; P559-N561 VanDerWaalsContact C-N 3.33Å; P559-N561 PolarHBondContact O-N 3.46Å; N561-V563 PolarHBondContact O-N 3.38Å; N561-V564 PolarHBondContact O-N 2.87Å; N561-F565 WeakPolarHBondContact O-CB 3.41Å; N561-F565 PolarHBondContact O-N 2.96Å; N561-M575 HydrophobicContact CB-CE 3.29Å; N561-M575 HydrophobicContact CB-SD 4.29Å; N561-M575 WeakPolarHBondContact OD1-CE 3.29Å
562A89.3Confident88.6Confident44 Ų4441.4 Ų41.436%0.36426%0.257SS..Hα-helixtrans-62-40.4179.200000112.6P555 N558 P559 F565 A566P555-A562 WeakPolarHBondContact O-CA 3.28Å; P555-A562 WeakPolarHBondContact O-CB 3.45Å; P555-A562 PolarHBondContact O-N 3.29Å; P555-A562 VanDerWaalsContact O-N 3.12Å; N558-A562 PolarHBondContact O-N 2.6Å; N558-A562 VanDerWaalsContact O-N 3.15Å; P559-A562 PolarHBondContact O-N 2.83Å; A562-F565 PolarHBondContact O-N 3.17Å; A562-A566 PolarHBondContact O-N 2.79Å
563V90.9Very high88.4Confident33 Ų3347.6 Ų47.620%0.229%0.288CS..Hα-helixtrans-59.9-49.3177.7169.70000110.6T143 V146 T147 P559 S560 N561 F565 A566 Y567T143-V563 HydrophobicContact CG2-CG2 4.03Å; V146-V563 HydrophobicContact CG1-CB 4.05Å; V146-V563 HydrophobicContact CG1-CG1 3.72Å; T147-V563 HydrophobicContact CG2-CG1 3.87Å; T147-V563 HydrophobicContact CG2-CG2 3.91Å; P559-V563 WeakPolarHBondContact O-CG2 3.28Å; P559-V563 PolarHBondContact O-N 3.26Å; S560-V563 PolarHBondContact O-N 3.08Å; N561-V563 PolarHBondContact O-N 3.38Å; V563-F565 VanDerWaalsContact C-N 3.32Å; V563-F565 PolarHBondContact O-N 3.39Å; V563-A566 WeakPolarHBondContact O-CB 3.31Å; V563-A566 PolarHBondContact O-N 3.05Å; V563-Y567 HydrophobicContact CG1-CE2 4.37Å; V563-Y567 WeakPolarHBondContact O-CD2 3.28Å
564V92Very high88.3Confident1 Ų147.2 Ų47.21%0.00629%0.286CS..Hα-helixtrans-64.3-39.6178.6176.70000111.4V146 M150 C262 A266 S560 N561 A566 Y567 I570V146-V564 HydrophobicContact CG1-CG2 3.54Å; M150-V564 HydrophobicContact CE-CG1 4.24Å; M150-V564 HydrophobicContact CE-CG2 4.33Å; M150-V564 HydrophobicContact CG-CG2 4.12Å; M150-V564 HydrophobicContact SD-CG2 3.83Å; C262-V564 VanDerWaalsContact C-CG1 3.42Å; C262-V564 HydrophobicContact CB-CG1 3.48Å; C262-V564 VanDerWaalsContact CB-CG1 3.48Å; C262-V564 WeakPolarHBondContact O-CG1 3.5Å; A266-V564 HydrophobicContact CB-CB 4.22Å; A266-V564 HydrophobicContact CB-CG2 3.71Å; S560-V564 PolarHBondContact O-N 2.96Å; N561-V564 PolarHBondContact O-N 2.87Å; V564-A566 VanDerWaalsContact C-N 3.25Å; V564-A566 PolarHBondContact O-N 2.63Å; V564-Y567 PolarHBondContact O-N 3.43Å; V564-I570 HydrophobicContact CG1-CD1 3.95Å
565F88.8Confident88.5Confident71 Ų7144.5 Ų44.531%0.31127%0.271SS..Hα-helixtrans-61.1-34.5177-168.1-93.7000112.6P555 N561 A562 V563 Y567 G568 I570 V572P555-F565 HydrophobicContact CB-CB 4.01Å; P555-F565 HydrophobicContact CB-CD1 4.29Å; P555-F565 HydrophobicContact CB-CD2 4Å; P555-F565 HydrophobicContact CB-CG 3.84Å; P555-F565 HydrophobicContact CG-CB 4.45Å; P555-F565 HydrophobicContact CG-CD1 4.45Å; P555-F565 HydrophobicContact CG-CD2 3.53Å; P555-F565 HydrophobicContact CG-CE2 3.81Å; P555-F565 HydrophobicContact CG-CG 3.9Å; P555-F565 HydrophobicContact CG-CZ 4.38Å; N561-F565 WeakPolarHBondContact O-CB 3.41Å; N561-F565 PolarHBondContact O-N 2.96Å; A562-F565 PolarHBondContact O-N 3.17Å; V563-F565 VanDerWaalsContact C-N 3.32Å; V563-F565 PolarHBondContact O-N 3.39Å; F565-Y567 PolarHBondContact O-N 3.42Å; F565-G568 PolarHBondContact O-N 2.87Å; F565-I570 HydrophobicContact CB-CD1 4.06Å; F565-I570 HydrophobicContact CB-CG1 4.39Å; F565-I570 HydrophobicContact CD2-CD1 3.85Å; F565-I570 HydrophobicContact CD2-CG1 3.78Å; F565-I570 HydrophobicContact CG-CD1 4.43Å; F565-I570 HydrophobicContact CG-CG1 4.42Å; F565-V572 HydrophobicContact CE2-CG2 3.83Å; F565-V572 HydrophobicContact CZ-CG2 3.87Å
566A86.5Confident88.9Confident84 Ų8445.7 Ų45.769%0.69428%0.278SS*.Hα-helixtrans-64.5-20.8178.400000114.3A562 V563 V564 G568A562-A566 PolarHBondContact O-N 2.79Å; V563-A566 WeakPolarHBondContact O-CB 3.31Å; V563-A566 PolarHBondContact O-N 3.05Å; V564-A566 VanDerWaalsContact C-N 3.25Å; V564-A566 PolarHBondContact O-N 2.63Å; A566-G568 PolarHBondContact O-N 3.47Å
567Y84.9Confident89.3Confident79 Ų7945.1 Ų45.131%0.3126%0.264SS..THydrogen-bonded Turntrans-71.5-10.9173.5-78.6-100.4000113.1M150 E154 V563 V564 F565 H569M150-Y567 HydrophobicContact CB-CE1 4.48Å; M150-Y567 HydrophobicContact CB-CE2 3.68Å; M150-Y567 HydrophobicContact CE-CD1 4.19Å; M150-Y567 HydrophobicContact CE-CD2 3.59Å; M150-Y567 HydrophobicContact CE-CE1 4.45Å; M150-Y567 HydrophobicContact CE-CE2 3.9Å; M150-Y567 HydrophobicContact CE-CG 3.77Å; M150-Y567 HydrophobicContact CG-CE2 4.15Å; E154-Y567 HydrophobicContact CB-CD1 4.46Å; E154-Y567 HydrophobicContact CB-CE1 4.16Å; E154-Y567 HydrophobicContact CG-CD1 4.35Å; E154-Y567 HydrophobicContact CG-CE1 4.29Å; V563-Y567 HydrophobicContact CG1-CE2 4.37Å; V563-Y567 WeakPolarHBondContact O-CD2 3.28Å; V564-Y567 PolarHBondContact O-N 3.43Å; F565-Y567 PolarHBondContact O-N 3.42Å; Y567-H569 VanDerWaalsContact C-N 3.28Å; Y567-H569 PolarHBondContact O-N 3.03Å
568G80.4Confident89.8Confident50 Ų5044.7 Ų44.752%0.51526%0.262SS..SBendtrans77.92.2169.600000116F565 A566F565-G568 PolarHBondContact O-N 2.87Å; A566-G568 PolarHBondContact O-N 3.47Å
569H80.8Confident90.1Very high32 Ų3244.2 Ų44.215%0.14826%0.259CS..SBendtrans-79.3-17.5179.3-62.8-58.4000114E154 C258 K259 Y567E154-H569 IonicContact OE1-NE2 2.71Å; E154-H569 IonicContact OE2-CD2 2.67Å; E154-H569 IonicContact OE2-CE1 3.11Å; E154-H569 IonicContact OE2-NE2 2.57Å; E154-H569 PolarHBondContact OE2-NE2 3.29Å; C258-H569 HydrophobicContact CB-CB 4.39Å; K259-H569 VanDerWaalsContact CG-O 3.23Å; K259-H569 WeakPolarHBondContact CG-O 2.9Å; Y567-H569 VanDerWaalsContact C-N 3.28Å; Y567-H569 PolarHBondContact O-N 3.03Å
570I89.8Confident90.4Very high9 Ų945 Ų455%0.04626%0.259CS..  trans-119.9147.1-168.560.2164.9000112.1K259 C262 I263 V564 F565 M575K259-I570 HydrophobicContact CB-CG2 4.22Å; K259-I570 HydrophobicContact CG-CG2 4.09Å; C262-I570 HydrophobicContact CB-CG2 4.03Å; I263-I570 HydrophobicContact CD1-CG2 4.12Å; I263-I570 HydrophobicContact CG1-CD1 4.39Å; I263-I570 HydrophobicContact CG1-CG2 3.89Å; V564-I570 HydrophobicContact CG1-CD1 3.95Å; F565-I570 HydrophobicContact CB-CD1 4.06Å; F565-I570 HydrophobicContact CB-CG1 4.39Å; F565-I570 HydrophobicContact CD2-CD1 3.85Å; F565-I570 HydrophobicContact CD2-CG1 3.78Å; F565-I570 HydrophobicContact CG-CD1 4.43Å; F565-I570 HydrophobicContact CG-CG1 4.42Å; I570-M575 HydrophobicContact CD1-SD 4.47Å
571T90.3Very high90.6Very high69 Ų6945.7 Ų45.742%0.42327%0.265SS..  trans-105.1158171.771.60000110.9M573 D574 M575T571-M573 PolarHBondContact O-N 3.14Å; T571-D574 WeakPolarHBondContact CB-OD2 3.49Å; T571-D574 PolarHBondContact N-OD2 3.1Å; T571-D574 WeakPolarHBondContact O-CB 3.41Å; T571-D574 PolarHBondContact O-N 3.42Å; T571-D574 PolarHBondContact OG1-N 3.02Å; T571-D574 PolarHBondContact OG1-OD2 2.62Å; T571-M575 PolarHBondContact O-N 2.86Å
572V90.1Very high90.8Very high61 Ų6145.7 Ų45.737%0.3727%0.265SS..Hα-helixtrans-56-39.7178.5-1790000111.3L554 P555 F565 D574 M575 V576L554-V572 HydrophobicContact CD2-CG1 4.42Å; P555-V572 HydrophobicContact CG-CG2 4.25Å; F565-V572 HydrophobicContact CE2-CG2 3.83Å; F565-V572 HydrophobicContact CZ-CG2 3.87Å; V572-D574 VanDerWaalsContact C-N 3.34Å; V572-D574 PolarHBondContact O-N 3.12Å; V572-M575 WeakPolarHBondContact O-CB 3.38Å; V572-M575 PolarHBondContact O-N 2.94Å; V572-V576 HydrophobicContact CG1-CG2 4.28Å; V572-V576 WeakPolarHBondContact O-CG2 3.44Å; V572-V576 PolarHBondContact O-N 3.48Å
573M91.1Very high91.1Very high130 Ų13044.4 Ų44.464%0.6425%0.252SS*.Hα-helixtrans-69.2-30.1179.5-70-65.8175.300113.3T571 M575 K577T571-M573 PolarHBondContact O-N 3.14Å; M573-M575 VanDerWaalsContact C-N 3.3Å; M573-K577 WeakPolarHBondContact O-CB 3.42Å; M573-K577 VanDerWaalsContact O-CG 3.27Å; M573-K577 WeakPolarHBondContact O-CG 3.39Å; M573-K577 PolarHBondContact O-N 3.32Å
574D91.8Very high91.3Very high22 Ų2246.9 Ų46.912%0.11827%0.267CS..Hα-helixtrans-64.5-41.9172.7-60.7-51.7000110K259 I263 F328 T571 V572 A578K259-D574 WeakPolarHBondContact CE-OD2 3.08Å; K259-D574 VanDerWaalsContact NZ-CG 3.26Å; K259-D574 IonicContact NZ-OD1 3.4Å; K259-D574 PolarHBondContact NZ-OD1 3.35Å; K259-D574 VanDerWaalsContact NZ-OD1 3.11Å; K259-D574 IonicContact NZ-OD2 3.38Å; K259-D574 PolarHBondContact NZ-OD2 3.09Å; I263-D574 HydrophobicContact CD1-CB 4.12Å; F328-D574 HydrophobicContact CE1-CB 4.14Å; F328-D574 HydrophobicContact CZ-CB 4.08Å; T571-D574 WeakPolarHBondContact CB-OD2 3.49Å; T571-D574 PolarHBondContact N-OD2 3.1Å; T571-D574 WeakPolarHBondContact O-CB 3.41Å; T571-D574 PolarHBondContact O-N 3.42Å; T571-D574 PolarHBondContact OG1-N 3.02Å; T571-D574 PolarHBondContact OG1-OD2 2.62Å; V572-D574 VanDerWaalsContact C-N 3.34Å; V572-D574 PolarHBondContact O-N 3.12Å; D574-A578 VanDerWaalsContact O-CB 3.26Å; D574-A578 WeakPolarHBondContact O-CB 3.42Å; D574-A578 PolarHBondContact O-N 3.34Å
575M93.9Very high91.6Very high1 Ų148.1 Ų48.11%0.00527%0.273CS..Hα-helixtrans-67.2-49.1179.5-161.8160.7-159.600112.1Y267 L553 P555 N561 I570 T571 V572 M573 K577 A578 G579Y267-M575 HydrophobicContact CE1-CE 3.75Å; Y267-M575 HydrophobicContact CE1-CG 4.48Å; Y267-M575 WeakPolarHBondContact OH-CG 3.47Å; Y267-M575 PolarHBondContact OH-O 3.45Å; L553-M575 CarbonylContact O-C 3.57Å; L553-M575 WeakPolarHBondContact O-CG 3.37Å; P555-M575 HydrophobicContact CB-SD 4.43Å; P555-M575 HydrophobicContact CG-SD 3.97Å; N561-M575 HydrophobicContact CB-CE 3.29Å; N561-M575 HydrophobicContact CB-SD 4.29Å; N561-M575 WeakPolarHBondContact OD1-CE 3.29Å; I570-M575 HydrophobicContact CD1-SD 4.47Å; T571-M575 PolarHBondContact O-N 2.86Å; V572-M575 WeakPolarHBondContact O-CB 3.38Å; V572-M575 PolarHBondContact O-N 2.94Å; M573-M575 VanDerWaalsContact C-N 3.3Å; M575-K577 PolarHBondContact O-N 2.93Å; M575-A578 PolarHBondContact O-N 3.36Å; M575-G579 WeakPolarHBondContact O-CA 3.21Å; M575-G579 PolarHBondContact O-N 3.34Å
576V94.4Very high92Very high39 Ų3944.7 Ų44.724%0.23626%0.259CS..Hα-helixtrans-57.8-46.7177.9171.30000111.5L553 L554 V572 G579 L580L553-V576 HydrophobicContact CD2-CG1 4.48Å; L553-V576 WeakPolarHBondContact CD2-O 3.29Å; L553-V576 WeakPolarHBondContact O-CG2 3.15Å; L553-V576 PolarHBondContact O-N 2.64Å; L554-V576 HydrophobicContact CD2-CG2 4.09Å; V572-V576 HydrophobicContact CG1-CG2 4.28Å; V572-V576 WeakPolarHBondContact O-CG2 3.44Å; V572-V576 PolarHBondContact O-N 3.48Å; V576-G579 PolarHBondContact O-N 3.42Å; V576-L580 HydrophobicContact CG1-CD1 4.22Å; V576-L580 HydrophobicContact CG1-CG 4.5Å; V576-L580 WeakPolarHBondContact O-CB 3.29Å; V576-L580 WeakPolarHBondContact O-CG 3.5Å; V576-L580 PolarHBondContact O-N 3.13Å
577K93.2Very high92.4Very high126 Ų12641.9 Ų41.955%0.54823%0.232SC..Hα-helixtrans-63.8-44.7179.3-72.7174.9-177.1-179.90112.2L327 M573 M575L327-K577 HydrophobicContact CD2-CB 4.48Å; M573-K577 WeakPolarHBondContact O-CB 3.42Å; M573-K577 VanDerWaalsContact O-CG 3.27Å; M573-K577 WeakPolarHBondContact O-CG 3.39Å; M573-K577 PolarHBondContact O-N 3.32Å; M575-K577 PolarHBondContact O-N 2.93Å
578A94.9Very high93Very high0 Ų043.2 Ų43.20%024%0.244CC..Hα-helixtrans-64.9-47.8177.900000110.8I263 Y267 W323 L324 L327 F328 D574 M575 L580 G581 V582I263-A578 HydrophobicContact CD1-CB 4.49Å; I263-A578 HydrophobicContact CG2-CB 4.03Å; Y267-A578 HydrophobicContact CE2-CB 3.85Å; W323-A578 PolarHBondContact NE1-O 2.87Å; L324-A578 HydrophobicContact CD2-CB 3.74Å; L327-A578 HydrophobicContact CD2-CB 3.81Å; F328-A578 HydrophobicContact CE2-CB 4.09Å; F328-A578 HydrophobicContact CZ-CB 4.38Å; D574-A578 VanDerWaalsContact O-CB 3.26Å; D574-A578 WeakPolarHBondContact O-CB 3.42Å; D574-A578 PolarHBondContact O-N 3.34Å; M575-A578 PolarHBondContact O-N 3.36Å; A578-L580 PolarHBondContact O-N 3.01Å; A578-G581 PolarHBondContact O-N 3.08Å; A578-V582 WeakPolarHBondContact O-CG2 2.95Å; A578-V582 PolarHBondContact O-N 3.49Å
579G95.3Very high93.8Very high0 Ų041 Ų410%022%0.221CC..Hα-helixtrans-66.1-36.8-175.700000113.1Y267 L553 M575 V576 G581 V582 N583Y267-G579 WeakPolarHBondContact OH-CA 3.45Å; Y267-G579 PolarHBondContact OH-N 3.47Å; L553-G579 VanDerWaalsContact CD2-C 3.46Å; M575-G579 WeakPolarHBondContact O-CA 3.21Å; M575-G579 PolarHBondContact O-N 3.34Å; V576-G579 PolarHBondContact O-N 3.42Å; G579-G581 VanDerWaalsContact C-N 3.28Å; G579-G581 PolarHBondContact O-N 3.22Å; G579-V582 CarbonylContact O-C 3.6Å; G579-V582 PolarHBondContact O-N 2.86Å; G579-N583 PolarHBondContact O-N 2.84Å; G579-N583 PolarHBondContact O-OD1 2.82Å
580L95.4Very high94.5Very high95 Ų9539.5 Ų39.550%0.49721%0.214SC..Hα-helixtrans-57.7-43.5176.5-80.9172.9000111.3L553 V576 A578 V584L553-L580 HydrophobicContact CD1-CD2 4.12Å; L553-L580 HydrophobicContact CD2-CB 4.12Å; L553-L580 HydrophobicContact CD2-CD2 3.78Å; L553-L580 HydrophobicContact CD2-CG 3.53Å; V576-L580 HydrophobicContact CG1-CD1 4.22Å; V576-L580 HydrophobicContact CG1-CG 4.5Å; V576-L580 WeakPolarHBondContact O-CB 3.29Å; V576-L580 WeakPolarHBondContact O-CG 3.5Å; V576-L580 PolarHBondContact O-N 3.13Å; A578-L580 PolarHBondContact O-N 3.01Å; L580-V584 WeakPolarHBondContact O-CG2 3.37Å; L580-V584 PolarHBondContact O-N 3.38Å
581G95.4Very high94.8Very high13 Ų1340.1 Ų40.113%0.13422%0.217CC..Hα-helixtrans-65.1-40175.500000112.5A578 G579 V584 I585A578-G581 PolarHBondContact O-N 3.08Å; G579-G581 VanDerWaalsContact C-N 3.28Å; G579-G581 PolarHBondContact O-N 3.22Å; G581-V584 PolarHBondContact O-N 3.34Å; G581-I585 WeakPolarHBondContact O-CB 3.44Å; G581-I585 WeakPolarHBondContact O-CD1 3.47Å; G581-I585 WeakPolarHBondContact O-CG1 3.33Å; G581-I585 PolarHBondContact O-N 2.88Å
582V96.6Very high95Very high0 Ų040.9 Ų40.90%022%0.218CC..Hα-helixtrans-70.9-37.1179.6-176.40000112.4Y267 T320 F552 A578 G579 V584 I585 G586Y267-V582 HydrophobicContact CD2-CB 4.37Å; Y267-V582 HydrophobicContact CD2-CG1 4.48Å; Y267-V582 HydrophobicContact CD2-CG2 3.73Å; Y267-V582 HydrophobicContact CE2-CB 4.47Å; Y267-V582 HydrophobicContact CE2-CG2 3.88Å; T320-V582 HydrophobicContact CG2-CG1 4.29Å; T320-V582 HydrophobicContact CG2-CG2 3.64Å; F552-V582 HydrophobicContact CD1-CG1 4.38Å; F552-V582 HydrophobicContact CD2-CB 3.99Å; F552-V582 HydrophobicContact CD2-CG1 3.47Å; F552-V582 VanDerWaalsContact CD2-CG1 3.47Å; F552-V582 HydrophobicContact CE1-CG1 4.32Å; F552-V582 HydrophobicContact CE2-CB 4.48Å; F552-V582 HydrophobicContact CE2-CG1 3.5Å; F552-V582 VanDerWaalsContact CE2-CG1 3.5Å; F552-V582 HydrophobicContact CG-CB 4.32Å; F552-V582 HydrophobicContact CG-CG1 3.99Å; F552-V582 HydrophobicContact CZ-CG1 3.95Å; A578-V582 WeakPolarHBondContact O-CG2 2.95Å; A578-V582 PolarHBondContact O-N 3.49Å; G579-V582 CarbonylContact O-C 3.6Å; G579-V582 PolarHBondContact O-N 2.86Å; V582-V584 VanDerWaalsContact C-N 3.32Å; V582-V584 PolarHBondContact O-N 3.46Å; V582-I585 PolarHBondContact O-N 2.88Å; V582-G586 PolarHBondContact O-N 3.24Å
583N96.1Very high95.2Very high17 Ų1738 Ų389%0.09120%0.2CC..Hα-helixtrans-59.2-44.9172.9-75.311.5000110.5T507 E511 F550 F552 G579 G586 L587T507-N583 HydrophobicContact CG2-CB 4.15Å; E511-N583 PolarHBondContact OE1-ND2 3.17Å; F550-N583 PolarHBondContact O-OD1 2.82Å; F552-N583 WeakPolarHBondContact CB-OD1 3.48Å; F552-N583 WeakPolarHBondContact CD2-OD1 3.22Å; G579-N583 PolarHBondContact O-N 2.84Å; G579-N583 PolarHBondContact O-OD1 2.82Å; N583-G586 PolarHBondContact O-N 3.26Å; N583-L587 WeakPolarHBondContact O-CB 3.45Å; N583-L587 PolarHBondContact O-N 3.49Å
584V96.5Very high95.3Very high85 Ų8531.9 Ų31.952%0.51517%0.17SC..Hα-helixtrans-65-46.1176.91740000111.2L580 G581 V582 G586 L587 L588L580-V584 WeakPolarHBondContact O-CG2 3.37Å; L580-V584 PolarHBondContact O-N 3.38Å; G581-V584 PolarHBondContact O-N 3.34Å; V582-V584 VanDerWaalsContact C-N 3.32Å; V582-V584 PolarHBondContact O-N 3.46Å; V584-G586 VanDerWaalsContact C-N 3.3Å; V584-G586 PolarHBondContact O-N 2.67Å; V584-L587 PolarHBondContact O-N 3.03Å; V584-L588 HydrophobicContact CG1-CD1 3.94Å; V584-L588 HydrophobicContact CG1-CG 4.41Å; V584-L588 WeakPolarHBondContact O-CB 3.14Å; V584-L588 VanDerWaalsContact O-CG 3.3Å; V584-L588 WeakPolarHBondContact O-CG 3.47Å; V584-L588 PolarHBondContact O-N 3.45Å
585I97.2Very high95.3Very high27 Ų2733 Ų3314%0.13818%0.183CC..Hα-helixtrans-56.9-46.2175.5-72.6163.4000110.7L319 W323 G581 V582 L588 A589L319-I585 HydrophobicContact CB-CD1 4.19Å; L319-I585 HydrophobicContact CB-CG1 4.4Å; L319-I585 HydrophobicContact CB-CG2 3.58Å; L319-I585 HydrophobicContact CD1-CG2 3.92Å; L319-I585 HydrophobicContact CG-CG2 4.41Å; W323-I585 HydrophobicContact CB-CD1 3.85Å; W323-I585 HydrophobicContact CG-CD1 4.16Å; G581-I585 WeakPolarHBondContact O-CB 3.44Å; G581-I585 WeakPolarHBondContact O-CD1 3.47Å; G581-I585 WeakPolarHBondContact O-CG1 3.33Å; G581-I585 PolarHBondContact O-N 2.88Å; V582-I585 PolarHBondContact O-N 2.88Å; I585-L588 PolarHBondContact O-N 3.39Å; I585-A589 VanDerWaalsContact O-CB 3.29Å; I585-A589 WeakPolarHBondContact O-CB 3.29Å; I585-A589 PolarHBondContact O-N 3.41Å
586G96.7Very high95.2Very high0 Ų036 Ų360%020%0.202CC..Hα-helixtrans-64.4-47.9-179.700000112.8V582 N583 V584 L588 A589 V590V582-G586 PolarHBondContact O-N 3.24Å; N583-G586 PolarHBondContact O-N 3.26Å; V584-G586 VanDerWaalsContact C-N 3.3Å; V584-G586 PolarHBondContact O-N 2.67Å; G586-L588 VanDerWaalsContact C-N 3.34Å; G586-L588 PolarHBondContact O-N 3.18Å; G586-A589 PolarHBondContact O-N 3.41Å; G586-V590 WeakPolarHBondContact O-CB 3.34Å; G586-V590 WeakPolarHBondContact O-CG2 3.46Å; G586-V590 PolarHBondContact O-N 3.2Å
587L96.1Very high95.2Very high25 Ų2537.4 Ų37.413%0.13120%0.203CC..Hα-helixtrans-57.2-48.6176.6179.261.4000111C503 I504 N583 V584 A589 V590 L591C503-L587 HydrophobicContact CB-CD1 3.39Å; I504-L587 HydrophobicContact CD1-CD2 4.35Å; I504-L587 HydrophobicContact CG1-CD2 3.77Å; N583-L587 WeakPolarHBondContact O-CB 3.45Å; N583-L587 PolarHBondContact O-N 3.49Å; V584-L587 PolarHBondContact O-N 3.03Å; L587-A589 PolarHBondContact O-N 3.12Å; L587-V590 PolarHBondContact O-N 3.24Å; L587-L591 HydrophobicContact CD1-CD1 4.06Å; L587-L591 HydrophobicContact CD1-CG 4.18Å; L587-L591 HydrophobicContact CG-CD1 4.03Å; L587-L591 WeakPolarHBondContact O-CB 3.48Å; L587-L591 VanDerWaalsContact O-CG 3.26Å; L587-L591 WeakPolarHBondContact O-CG 3.43Å; L587-L591 PolarHBondContact O-N 3.05Å
588L96.6Very high95.1Very high107 Ų10731.4 Ų31.456%0.5618%0.176SC*.Hα-helixtrans-65-39.5179-67.9175.9000112.4V584 I585 G586 L592V584-L588 HydrophobicContact CG1-CD1 3.94Å; V584-L588 HydrophobicContact CG1-CG 4.41Å; V584-L588 WeakPolarHBondContact O-CB 3.14Å; V584-L588 VanDerWaalsContact O-CG 3.3Å; V584-L588 WeakPolarHBondContact O-CG 3.47Å; V584-L588 PolarHBondContact O-N 3.45Å; I585-L588 PolarHBondContact O-N 3.39Å; G586-L588 VanDerWaalsContact C-N 3.34Å; G586-L588 PolarHBondContact O-N 3.18Å; L588-L592 WeakPolarHBondContact O-CB 3.29Å; L588-L592 PolarHBondContact O-N 3.07Å
589A97Very high94.9Very high4 Ų433.1 Ų33.13%0.03319%0.187CC..Hα-helixtrans-64.6-40.9177.400000112I312 I315 M316 I585 G586 L587 A593I312-A589 HydrophobicContact CG2-CB 4.32Å; I315-A589 HydrophobicContact CG2-CB 4.17Å; M316-A589 HydrophobicContact CG-CB 3.8Å; I585-A589 VanDerWaalsContact O-CB 3.29Å; I585-A589 WeakPolarHBondContact O-CB 3.29Å; I585-A589 PolarHBondContact O-N 3.41Å; G586-A589 PolarHBondContact O-N 3.41Å; L587-A589 PolarHBondContact O-N 3.12Å; A589-A593 WeakPolarHBondContact O-CB 3.16Å; A589-A593 PolarHBondContact O-N 2.9Å
590V96.4Very high94.6Very high0 Ų038 Ų380%022%0.219CC..Hα-helixtrans-68.1-45.7177167.30000111.3I312 P543 L546 F550 G586 L587 L592 A593 V594I312-V590 HydrophobicContact CG2-CG2 4.04Å; P543-V590 VanDerWaalsContact CA-CG1 3.44Å; P543-V590 HydrophobicContact CB-CG1 3.3Å; L546-V590 HydrophobicContact CB-CG2 3.95Å; L546-V590 HydrophobicContact CD1-CG1 4.32Å; L546-V590 HydrophobicContact CD1-CG2 3.96Å; F550-V590 HydrophobicContact CE2-CG2 3.9Å; F550-V590 HydrophobicContact CZ-CG2 3.62Å; G586-V590 WeakPolarHBondContact O-CB 3.34Å; G586-V590 WeakPolarHBondContact O-CG2 3.46Å; G586-V590 PolarHBondContact O-N 3.2Å; L587-V590 PolarHBondContact O-N 3.24Å; V590-L592 VanDerWaalsContact C-N 3.34Å; V590-L592 PolarHBondContact O-N 3.1Å; V590-A593 WeakPolarHBondContact O-CB 3.2Å; V590-A593 PolarHBondContact O-N 3.1Å; V590-V594 WeakPolarHBondContact O-CG2 3.35Å; V590-V594 PolarHBondContact O-N 3.34Å
591L94.8Very high94.3Very high21 Ų2135.9 Ų35.911%0.1121%0.207CC..Hα-helixtrans-62.6-42176.6-69.1175.6000111.4L496 V499 T500 L587 A593 V594 A595L496-L591 HydrophobicContact CD1-CD2 4.02Å; V499-L591 HydrophobicContact CG1-CD2 3.99Å; T500-L591 HydrophobicContact CG2-CD1 4.21Å; T500-L591 WeakPolarHBondContact OG1-CD1 3.22Å; L587-L591 HydrophobicContact CD1-CD1 4.06Å; L587-L591 HydrophobicContact CD1-CG 4.18Å; L587-L591 HydrophobicContact CG-CD1 4.03Å; L587-L591 WeakPolarHBondContact O-CB 3.48Å; L587-L591 VanDerWaalsContact O-CG 3.26Å; L587-L591 WeakPolarHBondContact O-CG 3.43Å; L587-L591 PolarHBondContact O-N 3.05Å; L591-A593 VanDerWaalsContact C-N 3.33Å; L591-A593 PolarHBondContact O-N 3.34Å; L591-V594 PolarHBondContact O-N 2.92Å; L591-A595 WeakPolarHBondContact O-CB 3.39Å; L591-A595 PolarHBondContact O-N 3.12Å
592L94.9Very high94Very high86 Ų8635.7 Ų35.745%0.4520%0.203SC..Hα-helixtrans-58.3-46.8173.9177.965.4000110.8L588 V590 A595 T596 W597L588-L592 WeakPolarHBondContact O-CB 3.29Å; L588-L592 PolarHBondContact O-N 3.07Å; V590-L592 VanDerWaalsContact C-N 3.34Å; V590-L592 PolarHBondContact O-N 3.1Å; L592-A595 PolarHBondContact O-N 2.98Å; L592-T596 HydrophobicContact CD1-CG2 3.84Å; L592-T596 WeakPolarHBondContact O-CB 3.24Å; L592-T596 WeakPolarHBondContact O-CG2 3.33Å; L592-T596 PolarHBondContact O-N 3.17Å; L592-T596 PolarHBondContact O-OG1 2.9Å; L592-W597 HydrophobicContact CD2-CZ3 4.44Å; L592-W597 HydrophobicContact CG-CZ3 4.21Å
593A94.9Very high93.6Very high0 Ų038.8 Ų38.80%023%0.225CC..Hα-helixtrans-60.2-51.5-179.600000112M308 I312 A589 V590 L591 A595 T596 W597 G598M308-A593 HydrophobicContact CE-CB 3.61Å; M308-A593 HydrophobicContact SD-CB 4.39Å; I312-A593 HydrophobicContact CD1-CB 3.5Å; I312-A593 HydrophobicContact CG1-CB 3.56Å; A589-A593 WeakPolarHBondContact O-CB 3.16Å; A589-A593 PolarHBondContact O-N 2.9Å; V590-A593 WeakPolarHBondContact O-CB 3.2Å; V590-A593 PolarHBondContact O-N 3.1Å; L591-A593 VanDerWaalsContact C-N 3.33Å; L591-A593 PolarHBondContact O-N 3.34Å; A593-A595 VanDerWaalsContact C-N 3.3Å; A593-A595 PolarHBondContact O-N 3.07Å; A593-T596 PolarHBondContact O-N 3.04Å; A593-W597 VanDerWaalsContact CA-CZ2 3.48Å; A593-W597 HydrophobicContact CB-CD2 4.28Å; A593-W597 VanDerWaalsContact CB-CE2 3.44Å; A593-W597 HydrophobicContact CB-CH2 3.73Å; A593-W597 HydrophobicContact CB-CZ2 3.15Å; A593-W597 HydrophobicContact CB-CZ3 4.5Å; A593-W597 PolarHBondContact O-N 2.91Å; A593-G598 PolarHBondContact O-N 3.21Å
594V92.8Very high93.2Very high1 Ų138.4 Ų38.41%0.00622%0.222CC..Hα-helixtrans-65.1-34.6-178171.40000111.5M308 Y539 P543 V590 L591 V599 L604M308-V594 HydrophobicContact CE-CB 4.44Å; M308-V594 HydrophobicContact CE-CG2 3.61Å; Y539-V594 HydrophobicContact CD2-CG1 3.31Å; Y539-V594 HydrophobicContact CE2-CG1 3.32Å; Y539-V594 HydrophobicContact CG-CG1 4.1Å; P543-V594 HydrophobicContact CB-CG2 4.05Å; P543-V594 HydrophobicContact CG-CG2 4.13Å; V590-V594 WeakPolarHBondContact O-CG2 3.35Å; V590-V594 PolarHBondContact O-N 3.34Å; L591-V594 PolarHBondContact O-N 2.92Å; V594-V599 WeakPolarHBondContact O-CG2 3.5Å; V594-L604 HydrophobicContact CG1-CD1 4.04Å
595A91.1Very high92.6Very high47 Ų4740 Ų4039%0.38823%0.228SC..Hα-helixtrans-80.6-13.7176.900000114.7L591 L592 A593L591-A595 WeakPolarHBondContact O-CB 3.39Å; L591-A595 PolarHBondContact O-N 3.12Å; L592-A595 PolarHBondContact O-N 2.98Å; A593-A595 VanDerWaalsContact C-N 3.3Å; A593-A595 PolarHBondContact O-N 3.07Å
596T93.1Very high92.2Very high64 Ų6442.3 Ų42.339%0.39324%0.244SC..THydrogen-bonded Turntrans-117.7-88.5-176.158.80000112.1L592 A593 P600L592-T596 HydrophobicContact CD1-CG2 3.84Å; L592-T596 WeakPolarHBondContact O-CB 3.24Å; L592-T596 WeakPolarHBondContact O-CG2 3.33Å; L592-T596 PolarHBondContact O-N 3.17Å; L592-T596 PolarHBondContact O-OG1 2.9Å; A593-T596 PolarHBondContact O-N 3.04Å; T596-P600 WeakPolarHBondContact O-CD 3.36Å
597W94.3Very high91.8Very high68 Ų6845.1 Ų45.126%0.25826%0.255SS..THydrogen-bonded Turntrans-80.3-15-175.36484.3000114.1M308 P311 I312 I315 L592 A593 P600 L601M308-W597 PolarHBondContact O-NE1 2.61Å; M308-W597 PolarHBondContact SD-NE1 3.29Å; P311-W597 HydrophobicContact CB-CH2 4.43Å; P311-W597 HydrophobicContact CB-CZ2 3.81Å; I312-W597 HydrophobicContact CG1-CZ2 3.81Å; I315-W597 HydrophobicContact CD1-CH2 3.78Å; I315-W597 HydrophobicContact CD1-CZ3 4.48Å; L592-W597 HydrophobicContact CD2-CZ3 4.44Å; L592-W597 HydrophobicContact CG-CZ3 4.21Å; A593-W597 VanDerWaalsContact CA-CZ2 3.48Å; A593-W597 HydrophobicContact CB-CD2 4.28Å; A593-W597 VanDerWaalsContact CB-CE2 3.44Å; A593-W597 HydrophobicContact CB-CH2 3.73Å; A593-W597 HydrophobicContact CB-CZ2 3.15Å; A593-W597 HydrophobicContact CB-CZ3 4.5Å; A593-W597 PolarHBondContact O-N 2.91Å; W597-P600 WeakPolarHBondContact O-CD 3.14Å; W597-P600 WeakPolarHBondContact O-CG 3.26Å; W597-L601 WeakPolarHBondContact O-CB 3.44Å; W597-L601 PolarHBondContact O-N 3.43Å
598G90.9Very high91.5Very high0 Ų044.6 Ų44.60%025%0.253CS..Hα-helixtrans-66.1-36.7171.700000112.7A593 L601 F602 L604A593-G598 PolarHBondContact O-N 3.21Å; G598-L601 PolarHBondContact O-N 3.42Å; G598-F602 PolarHBondContact O-N 3.38Å; G598-L604 WeakPolarHBondContact O-CD1 3.25Å; G598-L604 WeakPolarHBondContact O-CG 3.47Å
599V90.3Very high90.9Very high35 Ų3549.4 Ų49.421%0.21227%0.272CS..Hα-helixtrans-57.8-58.2179.3179.30000112.2V594 L601 F602 S603 L604 D605V594-V599 WeakPolarHBondContact O-CG2 3.5Å; V599-L601 PolarHBondContact O-N 3.16Å; V599-F602 PolarHBondContact O-N 3Å; V599-S603 WeakPolarHBondContact O-CA 3.37Å; V599-S603 PolarHBondContact O-N 3.1Å; V599-L604 HydrophobicContact CG2-CB 4.41Å; V599-L604 PolarHBondContact O-N 3.07Å; V599-D605 HydrophobicContact CG1-CB 3.96Å
600P89.8Confident90.4Very high104 Ų10451.5 Ų51.568%0.67528%0.279SS*.Hα-helixtrans-68.7-19.9179.528.3-36.4000113.6T596 W597T596-P600 WeakPolarHBondContact O-CD 3.36Å; W597-P600 WeakPolarHBondContact O-CD 3.14Å; W597-P600 WeakPolarHBondContact O-CG 3.26Å
601L88.4Confident89.9Confident49 Ų4951.8 Ų51.826%0.25728%0.282SS..Hα-helixtrans-80.6-34.1-178.8-171.762.2000112.8L307 M308 W597 G598 V599L307-L601 HydrophobicContact CB-CD2 4.29Å; M308-L601 HydrophobicContact CB-CD2 3.85Å; W597-L601 WeakPolarHBondContact O-CB 3.44Å; W597-L601 PolarHBondContact O-N 3.43Å; G598-L601 PolarHBondContact O-N 3.42Å; V599-L601 PolarHBondContact O-N 3.16Å
602F89.3Confident89.3Confident9 Ų953.6 Ų53.64%0.03930%0.295CS..Hα-helixtrans-1275.8-173.9-56.6-62.8000114.4C299 I300 N304 M308 L538 I542 G598 V599 L604C299-F602 HydrophobicContact CB-CD1 4.23Å; I300-F602 HydrophobicContact CD1-CD1 3.94Å; I300-F602 HydrophobicContact CD1-CE1 3.35Å; I300-F602 HydrophobicContact CD1-CE2 4.46Å; I300-F602 HydrophobicContact CD1-CZ 3.66Å; I300-F602 HydrophobicContact CG1-CE1 4.49Å; N304-F602 HydrophobicContact CB-CE1 3.87Å; N304-F602 HydrophobicContact CB-CZ 4.24Å; M308-F602 HydrophobicContact CB-CE2 3.99Å; M308-F602 HydrophobicContact CB-CZ 4.19Å; M308-F602 HydrophobicContact CG-CE2 3.96Å; M308-F602 HydrophobicContact SD-CE2 4.19Å; L538-F602 HydrophobicContact CD1-CB 4.12Å; L538-F602 HydrophobicContact CD1-CD1 4.41Å; L538-F602 HydrophobicContact CD1-CG 4.4Å; I542-F602 HydrophobicContact CD1-CD2 3.89Å; I542-F602 HydrophobicContact CD1-CE2 3.83Å; I542-F602 HydrophobicContact CD1-CG 4.48Å; I542-F602 HydrophobicContact CD1-CZ 4.4Å; G598-F602 PolarHBondContact O-N 3.38Å; V599-F602 PolarHBondContact O-N 3Å; F602-L604 VanDerWaalsContact C-N 3.33Å; F602-L604 HydrophobicContact CB-CD2 3.55Å; F602-L604 HydrophobicContact CB-CG 3.85Å; F602-L604 HydrophobicContact CD2-CD1 4.5Å; F602-L604 HydrophobicContact CG-CD2 4.45Å; F602-L604 PolarHBondContact O-N 3.23Å
603S87.9Confident88.4Confident66 Ų6653.5 Ų53.546%0.46230%0.298SS..THydrogen-bonded Turntrans51.551.3-174.1-59.80000111.8N536 V599 D605 T606N536-S603 PolarHBondContact ND2-O 2.99Å; V599-S603 WeakPolarHBondContact O-CA 3.37Å; V599-S603 PolarHBondContact O-N 3.1Å; S603-D605 PolarHBondContact O-N 2.91Å; S603-T606 PolarHBondContact O-N 3.18Å; S603-T606 PolarHBondContact O-OG1 3.29Å
604L87.6Confident87.1Confident8 Ų854.5 Ų54.54%0.04230%0.303CS..THydrogen-bonded Turntrans-71.4-15.2-172.2-60.1177.1000114.2L538 Y539 V594 G598 V599 F602L538-L604 HydrophobicContact CB-CD2 3.62Å; Y539-L604 HydrophobicContact CD2-CB 3.52Å; Y539-L604 HydrophobicContact CD2-CD1 3.74Å; Y539-L604 HydrophobicContact CD2-CD2 4.49Å; Y539-L604 HydrophobicContact CD2-CG 4.08Å; Y539-L604 HydrophobicContact CE2-CB 4.1Å; Y539-L604 HydrophobicContact CE2-CD1 4.31Å; Y539-L604 HydrophobicContact CG-CB 4.39Å; V594-L604 HydrophobicContact CG1-CD1 4.04Å; G598-L604 WeakPolarHBondContact O-CD1 3.25Å; G598-L604 WeakPolarHBondContact O-CG 3.47Å; V599-L604 HydrophobicContact CG2-CB 4.41Å; V599-L604 PolarHBondContact O-N 3.07Å; F602-L604 VanDerWaalsContact C-N 3.33Å; F602-L604 HydrophobicContact CB-CD2 3.55Å; F602-L604 HydrophobicContact CB-CG 3.85Å; F602-L604 HydrophobicContact CD2-CD1 4.5Å; F602-L604 HydrophobicContact CG-CD2 4.45Å; F602-L604 PolarHBondContact O-N 3.23Å
605D85.8Confident85.1Confident120 Ų12060.4 Ų60.464%0.64234%0.341SS*.THydrogen-bonded Turntrans-79.2-16.9179.457.5-44.4000113.4V599 S603V599-D605 HydrophobicContact CG1-CB 3.96Å; S603-D605 PolarHBondContact O-N 2.91Å
606T87.6Confident83.2Confident75 Ų7561.6 Ų61.646%0.4636%0.358SS..SBendtrans-114.3146.9178.459.20000111.5N536 S603 P608N536-T606 WeakPolarHBondContact CB-O 3.42Å; N536-T606 PolarHBondContact ND2-O 2.86Å; S603-T606 PolarHBondContact O-N 3.18Å; S603-T606 PolarHBondContact O-OG1 3.29Å; T606-P608 WeakPolarHBondContact O-CD 3.37Å
607Y88.6Confident81.2Confident58 Ų5862.4 Ų62.423%0.22736%0.356CS..  trans-71.7120.3168.9-164.2-100.5000108.7H534 V535 A611 P612 V613H534-Y607 VanDerWaalsContact C-CD2 3.48Å; H534-Y607 WeakPolarHBondContact O-CD2 3.41Å; V535-Y607 WeakPolarHBondContact O-CE2 3.27Å; Y607-A611 HydrophobicContact CE1-CB 3.73Å; Y607-A611 HydrophobicContact CE2-CB 4.24Å; Y607-A611 WeakPolarHBondContact OH-CB 3.39Å; Y607-P612 PolarHBondContact OH-O 3.04Å; Y607-V613 HydrophobicContact CE1-CG2 4.14Å
608P88.8Confident78.6Confident15 Ų1566.4 Ų66.410%0.09738%0.383CS..  trans-76.8146.1-172.728.2-31000111.7T606 W610 A611T606-P608 WeakPolarHBondContact O-CD 3.37Å; P608-W610 HydrophobicContact CB-CD2 3.87Å; P608-W610 HydrophobicContact CB-CG 4.08Å; P608-W610 HydrophobicContact CB-CZ2 3.75Å; P608-W610 VanDerWaalsContact CB-NE1 3.28Å; P608-W610 HydrophobicContact CG-CD2 3.9Å; P608-W610 VanDerWaalsContact CG-CE2 3.44Å; P608-W610 HydrophobicContact CG-CE3 4.23Å; P608-W610 HydrophobicContact CG-CH2 3.72Å; P608-W610 HydrophobicContact CG-CZ2 3.36Å; P608-W610 HydrophobicContact CG-CZ3 4.14Å; P608-W610 PolarHBondContact O-N 2.89Å; P608-A611 HydrophobicContact CG-CB 3.81Å; P608-A611 PolarHBondContact O-N 3.31Å; P608-A611 VanDerWaalsContact O-N 3.1Å
609E85.1Confident76Confident207 Ų20771.4 Ų71.497%0.96742%0.417SS*.THydrogen-bonded Turntrans-62.9-25.2179.7-63.6-175.6169.300113.4A611E609-A611 VanDerWaalsContact C-N 3.32Å
610W86.4Confident73.3Confident48 Ų4880.2 Ų80.218%0.18247%0.472CS..THydrogen-bonded Turntrans-77.4-14.3178.155.3-107.4000113.6Y294 E296 C297 P537 L538 P608Y294-W610 AromaticContact CD1-CE3 3.48Å; Y294-W610 HydrophobicContact CD1-CE3 3.48Å; Y294-W610 VanDerWaalsContact CD1-CE3 3.48Å; Y294-W610 AromaticContact CD1-CZ3 3.3Å; Y294-W610 HydrophobicContact CD1-CZ3 3.3Å; Y294-W610 HydrophobicContact CD2-CZ3 4.05Å; Y294-W610 HydrophobicContact CE1-CE3 4.15Å; Y294-W610 AromaticContact CE1-CZ3 3.67Å; Y294-W610 HydrophobicContact CE1-CZ3 3.67Å; Y294-W610 HydrophobicContact CE2-CZ3 4.4Å; Y294-W610 AromaticContact CG-CE3 3.8Å; Y294-W610 HydrophobicContact CG-CE3 3.8Å; Y294-W610 AromaticContact CG-CZ3 3.46Å; Y294-W610 HydrophobicContact CG-CZ3 3.46Å; Y294-W610 VanDerWaalsContact CG-CZ3 3.46Å; E296-W610 HydrophobicContact CB-CB 3.93Å; C297-W610 HydrophobicContact CB-CD2 3.84Å; C297-W610 HydrophobicContact CB-CE3 4.02Å; C297-W610 HydrophobicContact CB-CG 4.31Å; C297-W610 HydrophobicContact CB-CH2 4.44Å; C297-W610 HydrophobicContact CB-CZ2 4.23Å; C297-W610 HydrophobicContact CB-CZ3 4.33Å; C297-W610 WeakPolarHBondContact SG-CZ2 3.39Å; P537-W610 HydrophobicContact CB-CH2 4.38Å; P537-W610 HydrophobicContact CG-CH2 4.21Å; P537-W610 HydrophobicContact CG-CZ3 4.15Å; L538-W610 HydrophobicContact CD1-CH2 4.47Å; L538-W610 HydrophobicContact CD1-CZ2 4.07Å; L538-W610 HydrophobicContact CG-CH2 4.05Å; L538-W610 HydrophobicContact CG-CZ2 4.13Å; P608-W610 HydrophobicContact CB-CD2 3.87Å; P608-W610 HydrophobicContact CB-CG 4.08Å; P608-W610 HydrophobicContact CB-CZ2 3.75Å; P608-W610 VanDerWaalsContact CB-NE1 3.28Å; P608-W610 HydrophobicContact CG-CD2 3.9Å; P608-W610 VanDerWaalsContact CG-CE2 3.44Å; P608-W610 HydrophobicContact CG-CE3 4.23Å; P608-W610 HydrophobicContact CG-CH2 3.72Å; P608-W610 HydrophobicContact CG-CZ2 3.36Å; P608-W610 HydrophobicContact CG-CZ3 4.14Å; P608-W610 PolarHBondContact O-N 2.89Å
611A85.9Confident72.5Confident6 Ų679 Ų795%0.0546%0.461CS..SBendtrans-84.8136.8-179.900000110.6Y294 P537 Y607 P608 E609Y294-A611 HydrophobicContact CE1-CB 4.24Å; P537-A611 HydrophobicContact CG-CB 4.1Å; Y607-A611 HydrophobicContact CE1-CB 3.73Å; Y607-A611 HydrophobicContact CE2-CB 4.24Å; Y607-A611 WeakPolarHBondContact OH-CB 3.39Å; P608-A611 HydrophobicContact CG-CB 3.81Å; P608-A611 PolarHBondContact O-N 3.31Å; P608-A611 VanDerWaalsContact O-N 3.1Å; E609-A611 VanDerWaalsContact C-N 3.32Å
612P82Confident71.7Confident59 Ų5980.6 Ų80.638%0.38347%0.472SS..PPolyproline II helixtrans-58.9141.9179.3-21.632.8000111.9Y294 Y607Y294-P612 HydrophobicContact CE1-CG 4.46Å; Y607-P612 PolarHBondContact OH-O 3.04Å
613V75.5Confident70.7Confident84 Ų8484.6 Ų84.651%0.50950%0.496SS..PPolyproline II helixtrans-99.5118.2168.9176.10000107.9Y607Y607-V613 HydrophobicContact CE1-CG2 4.14Å
614L67.9Low69.7Low21 Ų2185.6 Ų85.611%0.1150%0.498CS..PPolyproline II helixtrans-69134.5-178.4-65.8-177000110.8L481 A484 E531 A532 G616 F617L481-L614 HydrophobicContact CD2-CD2 3.36Å; A484-L614 HydrophobicContact CB-CD1 3.67Å; E531-L614 HydrophobicContact CB-CD1 4.33Å; E531-L614 HydrophobicContact CB-CG 4.37Å; A532-L614 HydrophobicContact CB-CD1 4.1Å; L614-G616 PolarHBondContact O-N 2.92Å; L614-F617 HydrophobicContact CB-CD2 4.25Å; L614-F617 PolarHBondContact O-N 3.24Å
615P50.8Low68.6Low126 Ų12690.5 Ų90.582%0.81853%0.527SS*.THydrogen-bonded Turntrans-66.799.4179.125.7-31.5000109.9
616G52.4Low67.4Low71 Ų7188.5 Ų88.573%0.73252%0.519SS*.THydrogen-bonded Turntrans155.3-21.7-172.700000112.7L614L614-G616 PolarHBondContact O-N 2.92Å
617F49.8Very low66Low82 Ų8289.5 Ų89.536%0.3652%0.523SS..  trans-102.719.1-179.5-74.9-85.8000115.1M488 A532 H534 L614 S619M488-F617 HydrophobicContact CG-CZ 4.35Å; M488-F617 HydrophobicContact SD-CZ 4.33Å; A532-F617 VanDerWaalsContact O-CE1 3.31Å; A532-F617 WeakPolarHBondContact O-CE1 3.36Å; A532-F617 VanDerWaalsContact O-CE2 3.22Å; A532-F617 WeakPolarHBondContact O-CE2 3.41Å; A532-F617 WeakPolarHBondContact O-CZ 3.39Å; H534-F617 VanDerWaalsContact CD2-CB 3.49Å; H534-F617 WeakPolarHBondContact CD2-CB 3.48Å; H534-F617 AromaticContact CD2-CD1 3.28Å; H534-F617 WeakPolarHBondContact CD2-CD1 3.47Å; H534-F617 AromaticContact CD2-CD2 3.92Å; H534-F617 AromaticContact CD2-CE1 3.94Å; H534-F617 AromaticContact CD2-CG 3.28Å; H534-F617 WeakPolarHBondContact CD2-CG 3.48Å; H534-F617 WeakPolarHBondContact NE2-CB 3.46Å; H534-F617 AromaticContact NE2-CD1 3.71Å; H534-F617 AromaticContact NE2-CD2 3.75Å; H534-F617 AromaticContact NE2-CG 3.18Å; H534-F617 WeakPolarHBondContact NE2-CG 3.16Å; L614-F617 HydrophobicContact CB-CD2 4.25Å; L614-F617 PolarHBondContact O-N 3.24Å; F617-S619 VanDerWaalsContact C-N 3.29Å; F617-S619 PolarHBondContact O-N 3.28Å; F617-S619 VanDerWaalsContact O-N 3.1Å
618N40.2Very low64.2Low152 Ų15291.9 Ų91.981%0.81355%0.546SS*.  trans-77.686.7156.6-92.2-8.2000108.1
619S36Very low62.2Low104 Ų10498.3 Ų98.373%0.72758%0.583SS**  trans153.996.7145.845.10000112.2F617F617-S619 VanDerWaalsContact C-N 3.29Å; F617-S619 PolarHBondContact O-N 3.28Å; F617-S619 VanDerWaalsContact O-N 3.1Å
620T34.3Very low60.1Low220 Ų22088.5 Ų88.5100%1.3555%0.548SS*.  -171.2010832.60000110.1

Retrieved 620 of 620 residues in 151.4 ms (Link to these results)

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