A0A061IAD5_CRIGR Loading...

U3 small nucleolar ribonucleoprotein protein MPP10

Component of the 60-80S U3 small nucleolar ribonucleoprotein (U3 snoRNP). Required for the early cleavages during pre-18S ribosomal RNA processing.

AlphaFold DB , UniProt , Accession A0A061IAD5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mphosph10, Length 680 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
1M48.8Very low70.5Confident191 Ų191102.7 Ų102.794%0.94150%0.503SS*.  0118.40-76.4-175.1167.800109.6
2A52.5Low71.9Confident40 Ų40102.1 Ų102.133%0.33150%0.498SS..  trans-65.7134.5171.900000109.9R7A2-R7 PolarHBondContact O-NE 3.37Å; A2-R7 VanDerWaalsContact O-NE 3.09Å; A2-R7 PolarHBondContact O-NH2 3.48Å
3P64.9Low73.1Confident85 Ų85106.4 Ų106.455%0.55251%0.505SS*.  trans-59.1146.7-177.321.7-30.7000111.4V5 T6 R7P3-V5 PolarHBondContact O-N 3.07Å; P3-T6 WeakPolarHBondContact CD-OG1 3.34Å; P3-T6 HydrophobicContact CG-CG2 3.78Å; P3-T6 PolarHBondContact O-N 2.9Å; P3-T6 PolarHBondContact O-OG1 2.82Å; P3-R7 PolarHBondContact O-N 3.27Å
4R63.4Low74Confident212 Ų21299.6 Ų99.680%0.848%0.475SS*.Hα-helixtrans-51.4-29.1-177.3-71-176.8175.7-175.7-2.3113.4R7 R8R4-R7 PolarHBondContact O-N 3.09Å; R4-R8 PolarHBondContact O-N 2.86Å
5V68.9Low75Confident94 Ų94100.1 Ų100.157%0.5748%0.48SS*.Hα-helixtrans-66.8-43.6176.8-177.70000112.4P3 R7 R8 Q9P3-V5 PolarHBondContact O-N 3.07Å; V5-R7 VanDerWaalsContact C-N 3.27Å; V5-R7 PolarHBondContact O-N 3.29Å; V5-R8 PolarHBondContact O-N 3.1Å; V5-Q9 VanDerWaalsContact O-CG 3.31Å; V5-Q9 WeakPolarHBondContact O-CG 3.49Å; V5-Q9 PolarHBondContact O-N 3.42Å; V5-Q9 VanDerWaalsContact O-N 3.12Å
6T70.6Confident75.8Confident53 Ų53101.3 Ų101.333%0.32548%0.483SS..Hα-helixtrans-69.4-28.9179.755.10000111.6P3 Q9 T10P3-T6 WeakPolarHBondContact CD-OG1 3.34Å; P3-T6 HydrophobicContact CG-CG2 3.78Å; P3-T6 PolarHBondContact O-N 2.9Å; P3-T6 PolarHBondContact O-OG1 2.82Å; T6-Q9 PolarHBondContact O-N 3.3Å; T6-T10 WeakPolarHBondContact O-CG2 3.43Å; T6-T10 PolarHBondContact O-N 2.98Å; T6-T10 PolarHBondContact O-OG1 3.13Å
7R76.9Confident76.3Confident64 Ų64101.6 Ų101.624%0.24248%0.484CS..Hα-helixtrans-65.3-46175.5-61.9-178.8-167.6-163.4-7112.5A2 P3 R4 V5 Q9 T10 L11 F49 L53A2-R7 PolarHBondContact O-NE 3.37Å; A2-R7 VanDerWaalsContact O-NE 3.09Å; A2-R7 PolarHBondContact O-NH2 3.48Å; P3-R7 PolarHBondContact O-N 3.27Å; R4-R7 PolarHBondContact O-N 3.09Å; V5-R7 VanDerWaalsContact C-N 3.27Å; V5-R7 PolarHBondContact O-N 3.29Å; R7-Q9 VanDerWaalsContact C-N 3.33Å; R7-T10 PolarHBondContact O-OG1 3.46Å; R7-L11 WeakPolarHBondContact O-CG 3.44Å; R7-L11 PolarHBondContact O-N 3.48Å; R7-F49 HydrophobicContact CB-CE2 4.31Å; R7-F49 HydrophobicContact CB-CZ 3.79Å; R7-F49 HydrophobicContact CG-CE2 4.25Å; R7-F49 HydrophobicContact CG-CZ 4.02Å; R7-L53 HydrophobicContact CG-CD2 4.18Å
8R79.4Confident76.9Confident185 Ų18598.3 Ų98.370%0.69847%0.471SS*.Hα-helixtrans-64.5-42.2176.2-71.9-175.4176.2177.8-2.7110.8R4 V5 T10 L11 E12R4-R8 PolarHBondContact O-N 2.86Å; V5-R8 PolarHBondContact O-N 3.1Å; R8-T10 PolarHBondContact O-N 3.27Å; R8-L11 PolarHBondContact O-N 2.92Å; R8-E12 VanDerWaalsContact O-CB 3.32Å; R8-E12 WeakPolarHBondContact O-CB 3.44Å; R8-E12 VanDerWaalsContact O-CG 3.26Å; R8-E12 WeakPolarHBondContact O-CG 3.11Å; R8-E12 PolarHBondContact O-N 2.63Å
9Q82Confident77.4Confident85 Ų8597.8 Ų97.840%0.39747%0.472SS..Hα-helixtrans-64.2-37.5179.2-71.8175.92.400113.8V5 T6 R7 R13V5-Q9 VanDerWaalsContact O-CG 3.31Å; V5-Q9 WeakPolarHBondContact O-CG 3.49Å; V5-Q9 PolarHBondContact O-N 3.42Å; V5-Q9 VanDerWaalsContact O-N 3.12Å; T6-Q9 PolarHBondContact O-N 3.3Å; R7-Q9 VanDerWaalsContact C-N 3.33Å; Q9-R13 VanDerWaalsContact O-CG 3.24Å; Q9-R13 WeakPolarHBondContact O-CG 3.31Å; Q9-R13 PolarHBondContact O-N 2.91Å; Q9-R13 VanDerWaalsContact O-N 3.11Å
10T82.7Confident77.8Confident45 Ų45100.8 Ų100.828%0.27648%0.482SS..Hα-helixtrans-68.9-44.8176.447.90000111.4T6 R7 R8 R13 C14 F49T6-T10 WeakPolarHBondContact O-CG2 3.43Å; T6-T10 PolarHBondContact O-N 2.98Å; T6-T10 PolarHBondContact O-OG1 3.13Å; R7-T10 PolarHBondContact O-OG1 3.46Å; R8-T10 PolarHBondContact O-N 3.27Å; T10-R13 WeakPolarHBondContact O-CB 3.37Å; T10-R13 PolarHBondContact O-N 3.14Å; T10-C14 PolarHBondContact O-N 3.28Å; T10-C14 PolarHBondContact O-SG 2.84Å; T10-C14 VanDerWaalsContact O-SG 3.36Å; T10-F49 WeakPolarHBondContact OG1-CE2 3.24Å; T10-F49 WeakPolarHBondContact OG1-CZ 3.27Å
11L85.4Confident77.9Confident76 Ų7696.8 Ų96.840%0.39847%0.466SS..Hα-helixtrans-64.4-41.4176.4-68.3174.2000112.2R7 R8 R13 C14 L15 L46 F49R7-L11 WeakPolarHBondContact O-CG 3.44Å; R7-L11 PolarHBondContact O-N 3.48Å; R8-L11 PolarHBondContact O-N 2.92Å; L11-R13 VanDerWaalsContact C-N 3.27Å; L11-R13 PolarHBondContact O-N 2.95Å; L11-C14 PolarHBondContact O-N 3.47Å; L11-L15 WeakPolarHBondContact O-CB 3.39Å; L11-L15 WeakPolarHBondContact O-CG 3.37Å; L11-L15 PolarHBondContact O-N 2.9Å; L11-L46 HydrophobicContact CD2-CD2 4.02Å; L11-F49 HydrophobicContact CD1-CE1 4.11Å; L11-F49 HydrophobicContact CD2-CD1 4.2Å; L11-F49 HydrophobicContact CD2-CE1 3.88Å; L11-F49 HydrophobicContact CG-CE1 3.89Å; L11-F49 HydrophobicContact CG-CZ 4.29Å
12E87.6Confident79.5Confident95 Ų9590.6 Ų90.644%0.44444%0.439SS..Hα-helixtrans-61.6-33.6174.1-78.5174.6-155.400112.7R8 K16R8-E12 VanDerWaalsContact O-CB 3.32Å; R8-E12 WeakPolarHBondContact O-CB 3.44Å; R8-E12 VanDerWaalsContact O-CG 3.26Å; R8-E12 WeakPolarHBondContact O-CG 3.11Å; R8-E12 PolarHBondContact O-N 2.63Å; E12-K16 WeakPolarHBondContact O-CB 3.33Å; E12-K16 WeakPolarHBondContact O-CD 3.31Å; E12-K16 WeakPolarHBondContact O-CG 3.4Å; E12-K16 PolarHBondContact O-N 3.19Å
13R86.7Confident81Confident158 Ų15894.3 Ų94.360%0.59645%0.453SS*.Hα-helixtrans-68.1-47.7174.1-75.1171.4-170.9-174.43.5111Q9 T10 L11 L15 K16 E17Q9-R13 VanDerWaalsContact O-CG 3.24Å; Q9-R13 WeakPolarHBondContact O-CG 3.31Å; Q9-R13 PolarHBondContact O-N 2.91Å; Q9-R13 VanDerWaalsContact O-N 3.11Å; T10-R13 WeakPolarHBondContact O-CB 3.37Å; T10-R13 PolarHBondContact O-N 3.14Å; L11-R13 VanDerWaalsContact C-N 3.27Å; L11-R13 PolarHBondContact O-N 2.95Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 3.39Å; R13-K16 PolarHBondContact O-N 3.48Å; R13-E17 WeakPolarHBondContact O-CG 3.33Å; R13-E17 PolarHBondContact O-N 3Å
14C86.3Confident81.6Confident12 Ų1299.1 Ų99.18%0.08146%0.46CS..Hα-helixtrans-58.6-45.8175.5-61.40000111.2T10 L11 K16 E17 V18 L42 L46T10-C14 PolarHBondContact O-N 3.28Å; T10-C14 PolarHBondContact O-SG 2.84Å; T10-C14 VanDerWaalsContact O-SG 3.36Å; L11-C14 PolarHBondContact O-N 3.47Å; C14-K16 VanDerWaalsContact C-N 3.34Å; C14-K16 PolarHBondContact O-N 3.3Å; C14-E17 PolarHBondContact O-N 2.76Å; C14-E17 VanDerWaalsContact O-N 3.14Å; C14-V18 WeakPolarHBondContact O-CG2 3.32Å; C14-V18 PolarHBondContact O-N 2.88Å; C14-L42 HydrophobicContact CB-CD1 4.33Å; C14-L42 HydrophobicContact CB-CD2 4.45Å; C14-L42 HydrophobicContact CB-CG 4.35Å; C14-L46 HydrophobicContact CB-CD2 4.15Å
15L88.5Confident82.2Confident106 Ų10693.5 Ų93.556%0.55545%0.451SS*.Hα-helixtrans-61.8-39.9177.2-73.1173.2000112.6L11 R13 E17 V18 N19L11-L15 WeakPolarHBondContact O-CB 3.39Å; L11-L15 WeakPolarHBondContact O-CG 3.37Å; L11-L15 PolarHBondContact O-N 2.9Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 3.39Å; L15-E17 VanDerWaalsContact C-N 3.32Å; L15-E17 PolarHBondContact O-N 3.3Å; L15-V18 PolarHBondContact O-N 2.97Å; L15-N19 WeakPolarHBondContact O-CB 3.43Å; L15-N19 PolarHBondContact O-N 3.36Å; L15-N19 PolarHBondContact O-ND2 2.81Å
16K87.8Confident82.7Confident120 Ų12096.8 Ų96.852%0.52246%0.46SS..Hα-helixtrans-64.9-36174.8-76.8168.2-175.9168.80112.1E12 R13 C14 K20E12-K16 WeakPolarHBondContact O-CB 3.33Å; E12-K16 WeakPolarHBondContact O-CD 3.31Å; E12-K16 WeakPolarHBondContact O-CG 3.4Å; E12-K16 PolarHBondContact O-N 3.19Å; R13-K16 PolarHBondContact O-N 3.48Å; C14-K16 VanDerWaalsContact C-N 3.34Å; C14-K16 PolarHBondContact O-N 3.3Å; K16-K20 WeakPolarHBondContact O-CB 3.45Å; K16-K20 WeakPolarHBondContact O-CD 3.46Å; K16-K20 WeakPolarHBondContact O-CG 3.44Å; K16-K20 PolarHBondContact O-N 2.81Å; K16-K20 VanDerWaalsContact O-N 3.1Å
17E84.9Confident82.7Confident106 Ų10696.2 Ų96.250%0.49546%0.458SS..Hα-helixtrans-72-42.7177-73.9175.3-17500112R13 C14 L15 K20 A21 L42R13-E17 WeakPolarHBondContact O-CG 3.33Å; R13-E17 PolarHBondContact O-N 3Å; C14-E17 PolarHBondContact O-N 2.76Å; C14-E17 VanDerWaalsContact O-N 3.14Å; L15-E17 VanDerWaalsContact C-N 3.32Å; L15-E17 PolarHBondContact O-N 3.3Å; E17-K20 PolarHBondContact O-N 3.06Å; E17-A21 PolarHBondContact O-N 2.79Å; E17-L42 HydrophobicContact CB-CD1 3.93Å
18V87.6Confident82.7Confident43 Ų4398.2 Ų98.226%0.26147%0.469SS..Hα-helixtrans-59.7-51.5172.6173.50000110.4C14 L15 K20 A21 T22 L42C14-V18 WeakPolarHBondContact O-CG2 3.32Å; C14-V18 PolarHBondContact O-N 2.88Å; L15-V18 PolarHBondContact O-N 2.97Å; V18-K20 VanDerWaalsContact C-N 3.29Å; V18-K20 PolarHBondContact O-N 3.29Å; V18-A21 CarbonylContact O-C 3.1Å; V18-A21 WeakPolarHBondContact O-CA 3.28Å; V18-A21 WeakPolarHBondContact O-CB 3.45Å; V18-A21 PolarHBondContact O-N 3.19Å; V18-T22 HydrophobicContact CG1-CG2 4.03Å; V18-T22 WeakPolarHBondContact O-CG2 3.36Å; V18-T22 PolarHBondContact O-N 3.2Å; V18-T22 PolarHBondContact O-OG1 3.42Å; V18-L42 HydrophobicContact CG2-CD1 3.66Å; V18-L42 HydrophobicContact CG2-CD2 4.08Å
19N86.6Confident82.7Confident89 Ų8996.8 Ų96.848%0.47647%0.474SS..Hα-helixtrans-59-41.2179.8-73.2-15.7000111.7L15 A21 T22 N23L15-N19 WeakPolarHBondContact O-CB 3.43Å; L15-N19 PolarHBondContact O-N 3.36Å; L15-N19 PolarHBondContact O-ND2 2.81Å; N19-A21 VanDerWaalsContact C-N 3.29Å; N19-A21 PolarHBondContact O-N 3.1Å; N19-T22 WeakPolarHBondContact CA-OG1 3.49Å; N19-T22 PolarHBondContact O-N 3.25Å; N19-T22 PolarHBondContact O-OG1 2.79Å; N19-N23 WeakPolarHBondContact O-CB 3.43Å; N19-N23 PolarHBondContact O-N 3.32Å; N19-N23 PolarHBondContact O-ND2 2.89Å; N19-N23 PolarHBondContact O-OD1 3.08Å; N19-N23 VanDerWaalsContact O-OD1 3.05Å
20K85.2Confident82.5Confident156 Ų15697 Ų9768%0.67848%0.481SS*.Hα-helixtrans-61.8-37.2175.1-76.5170.3-175.9-178.90112.7K16 E17 V18K16-K20 WeakPolarHBondContact O-CB 3.45Å; K16-K20 WeakPolarHBondContact O-CD 3.46Å; K16-K20 WeakPolarHBondContact O-CG 3.44Å; K16-K20 PolarHBondContact O-N 2.81Å; K16-K20 VanDerWaalsContact O-N 3.1Å; E17-K20 PolarHBondContact O-N 3.06Å; V18-K20 VanDerWaalsContact C-N 3.29Å; V18-K20 PolarHBondContact O-N 3.29Å
21A80.2Confident82.3Confident17 Ų17102.7 Ų102.714%0.1451%0.508CS..Hα-helixtrans-76.1-32.4178.600000112.8E17 V18 N19 L35 F39E17-A21 PolarHBondContact O-N 2.79Å; V18-A21 CarbonylContact O-C 3.1Å; V18-A21 WeakPolarHBondContact O-CA 3.28Å; V18-A21 WeakPolarHBondContact O-CB 3.45Å; V18-A21 PolarHBondContact O-N 3.19Å; N19-A21 VanDerWaalsContact C-N 3.29Å; N19-A21 PolarHBondContact O-N 3.1Å; A21-L35 HydrophobicContact CB-CD2 4.24Å; A21-F39 HydrophobicContact CB-CE1 4.28Å; A21-F39 HydrophobicContact CB-CE2 4.19Å; A21-F39 HydrophobicContact CB-CZ 3.61Å
22T81.7Confident81.9Confident61 Ų61102.1 Ų102.137%0.37450%0.504SS..Hα-helixtrans-89.4-16-177.356.60000114.2V18 N19 R24V18-T22 HydrophobicContact CG1-CG2 4.03Å; V18-T22 WeakPolarHBondContact O-CG2 3.36Å; V18-T22 PolarHBondContact O-N 3.2Å; V18-T22 PolarHBondContact O-OG1 3.42Å; N19-T22 WeakPolarHBondContact CA-OG1 3.49Å; N19-T22 PolarHBondContact O-N 3.25Å; N19-T22 PolarHBondContact O-OG1 2.79Å; T22-R24 PolarHBondContact O-N 3.07Å
23N83.8Confident81.4Confident118 Ų118103.7 Ų103.763%0.63152%0.515SS*.SBendtrans-59.4-12.6178.8-78.2-19.6000115.2N19N19-N23 WeakPolarHBondContact O-CB 3.43Å; N19-N23 PolarHBondContact O-N 3.32Å; N19-N23 PolarHBondContact O-ND2 2.89Å; N19-N23 PolarHBondContact O-OD1 3.08Å; N19-N23 VanDerWaalsContact O-OD1 3.05Å
24R78.3Confident81.2Confident186 Ų18698.5 Ų98.570%0.70251%0.511SS*.  trans-127.683.5178.1-69.7-172.1177.8158.6-0.6110.8T22 E26 C27T22-R24 PolarHBondContact O-N 3.07Å; R24-E26 PolarHBondContact O-N 3.27Å; R24-C27 WeakPolarHBondContact O-CB 3.48Å; R24-C27 PolarHBondContact O-N 3.42Å
25P75.8Confident80.9Confident95 Ų9599.5 Ų99.562%0.61752%0.515SS*.G310 helixtrans-62.8-27.7-176.724.4-33.6000113.3C27 F28P25-C27 PolarHBondContact O-N 3.12Å; P25-C27 VanDerWaalsContact O-N 3.12Å; P25-F28 WeakPolarHBondContact O-CD2 3.38Å; P25-F28 PolarHBondContact O-N 3.48Å; P25-F28 VanDerWaalsContact O-N 3.09Å
26E78.7Confident80.7Confident163 Ų16396.7 Ų96.776%0.76251%0.508SS*.G310 helixtrans-57.4-26.4177.2-60174.6-170.900113.4R24 F28 L29R24-E26 PolarHBondContact O-N 3.27Å; E26-F28 VanDerWaalsContact C-N 3.3Å; E26-F28 PolarHBondContact O-N 3.27Å; E26-L29 PolarHBondContact O-N 2.91Å
27C70.1Confident80.5Confident40 Ų4094.5 Ų94.527%0.2751%0.507SS..G310 helixtrans-69.9-24.5179.7-73.40000113R24 P25 L29 T30 Q32R24-C27 WeakPolarHBondContact O-CB 3.48Å; R24-C27 PolarHBondContact O-N 3.42Å; P25-C27 PolarHBondContact O-N 3.12Å; P25-C27 VanDerWaalsContact O-N 3.12Å; C27-L29 VanDerWaalsContact C-N 3.27Å; C27-L29 PolarHBondContact O-N 3.16Å; C27-T30 PolarHBondContact O-OG1 3.28Å; C27-Q32 VanDerWaalsContact O-CD 3.25Å; C27-Q32 WeakPolarHBondContact O-CG 3.41Å; C27-Q32 PolarHBondContact O-NE2 3.12Å
28F77.3Confident80.6Confident106 Ų10693.9 Ų93.947%0.46551%0.507SS..G310 helixtrans-78.7-6.5-179-62.1-72.5000114.1P25 E26 T30 L35 F39P25-F28 WeakPolarHBondContact O-CD2 3.38Å; P25-F28 PolarHBondContact O-N 3.48Å; P25-F28 VanDerWaalsContact O-N 3.09Å; E26-F28 VanDerWaalsContact C-N 3.3Å; E26-F28 PolarHBondContact O-N 3.27Å; F28-T30 PolarHBondContact O-N 2.97Å; F28-L35 HydrophobicContact CE1-CD1 4.11Å; F28-L35 HydrophobicContact CZ-CD1 4.41Å; F28-F39 HydrophobicContact CE1-CE2 4.14Å; F28-F39 HydrophobicContact CZ-CE2 4.47Å
29L79.7Confident80.6Confident155 Ų15594.9 Ų94.981%0.81251%0.508SS*.G310 helixtrans-76-5174.1-60.1176.3000112.9E26 C27E26-L29 PolarHBondContact O-N 2.91Å; C27-L29 VanDerWaalsContact C-N 3.27Å; C27-L29 PolarHBondContact O-N 3.16Å
30T78Confident80.7Confident90 Ų9091.9 Ų91.955%0.55249%0.493SS*.SBendtrans-129.3150.417855.80000110.4C27 F28 Q32C27-T30 PolarHBondContact O-OG1 3.28Å; F28-T30 PolarHBondContact O-N 2.97Å; T30-Q32 WeakPolarHBondContact O-CG 3.32Å; T30-Q32 PolarHBondContact O-N 2.97Å
31I77.7Confident80.8Confident164 Ų16487 Ų8784%0.84148%0.479SS*.  trans-70105.8179.6-57.2168.6000109
32Q77.1Confident81.3Confident65 Ų6586.9 Ų86.930%0.30448%0.476SS..  trans-105.490.1-178.2-61.1-158-3.900112.1C27 T30 G34 L35 A36C27-Q32 VanDerWaalsContact O-CD 3.25Å; C27-Q32 WeakPolarHBondContact O-CG 3.41Å; C27-Q32 PolarHBondContact O-NE2 3.12Å; T30-Q32 WeakPolarHBondContact O-CG 3.32Å; T30-Q32 PolarHBondContact O-N 2.97Å; Q32-G34 PolarHBondContact O-N 3.28Å; Q32-G34 VanDerWaalsContact O-N 3.17Å; Q32-L35 HydrophobicContact CB-CB 4.1Å; Q32-L35 HydrophobicContact CB-CD1 4.3Å; Q32-L35 HydrophobicContact CB-CG 4.22Å; Q32-L35 PolarHBondContact O-N 3.33Å; Q32-L35 VanDerWaalsContact OE1-CG 3.28Å; Q32-A36 PolarHBondContact O-N 3.39Å
33N78.4Confident81.7Confident127 Ų12786.4 Ų86.468%0.67947%0.473SS*.Hα-helixtrans-58.1-30.6178-63.4-19.1000113.2S37N33-S37 PolarHBondContact O-N 2.77Å
34G81.1Confident82Confident50 Ų5083.5 Ų83.552%0.51546%0.455SS..Hα-helixtrans-70-42.6177.400000113.4Q32 S37 N38Q32-G34 PolarHBondContact O-N 3.28Å; Q32-G34 VanDerWaalsContact O-N 3.17Å; G34-S37 PolarHBondContact O-N 3.08Å; G34-N38 VanDerWaalsContact O-CG 3.29Å; G34-N38 PolarHBondContact O-N 3.08Å; G34-N38 VanDerWaalsContact O-N 3.15Å; G34-N38 PolarHBondContact O-ND2 3.07Å
35L81.6Confident82.5Confident32 Ų3278.2 Ų78.217%0.16844%0.443CS..Hα-helixtrans-68.2-39.7174.1-71.9-173.5000111A21 F28 Q32 S37 N38 F39A21-L35 HydrophobicContact CB-CD2 4.24Å; F28-L35 HydrophobicContact CE1-CD1 4.11Å; F28-L35 HydrophobicContact CZ-CD1 4.41Å; Q32-L35 HydrophobicContact CB-CB 4.1Å; Q32-L35 HydrophobicContact CB-CD1 4.3Å; Q32-L35 HydrophobicContact CB-CG 4.22Å; Q32-L35 PolarHBondContact O-N 3.33Å; Q32-L35 VanDerWaalsContact OE1-CG 3.28Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.4Å; L35-N38 WeakPolarHBondContact O-CB 3.28Å; L35-N38 PolarHBondContact O-N 2.96Å; L35-N38 VanDerWaalsContact O-N 3.11Å; L35-F39 HydrophobicContact CB-CD2 4.38Å; L35-F39 HydrophobicContact CB-CE2 4.27Å; L35-F39 WeakPolarHBondContact O-CD2 3.38Å; L35-F39 PolarHBondContact O-N 3Å
36A82.4Confident83.1Confident48 Ų4876.9 Ų76.940%0.39743%0.43SS..Hα-helixtrans-58.6-42.7175.100000112.1Q32 N38 F39 T40Q32-A36 PolarHBondContact O-N 3.39Å; A36-N38 VanDerWaalsContact C-N 3.34Å; A36-N38 PolarHBondContact O-N 3.17Å; A36-F39 PolarHBondContact O-N 3.43Å; A36-T40 WeakPolarHBondContact O-CG2 3.5Å; A36-T40 PolarHBondContact O-N 3.4Å; A36-T40 PolarHBondContact O-OG1 3.33Å
37S85.6Confident83.5Confident73 Ų7369.5 Ų69.551%0.5140%0.395SS..Hα-helixtrans-64.3-36.4174.5-176.10000112.9N33 G34 L35 T40 S41N33-S37 PolarHBondContact O-N 2.77Å; G34-S37 PolarHBondContact O-N 3.08Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.4Å; S37-T40 VanDerWaalsContact CA-OG1 3.28Å; S37-T40 WeakPolarHBondContact CA-OG1 3.39Å; S37-T40 PolarHBondContact O-OG1 3.04Å; S37-S41 WeakPolarHBondContact O-CB 3.15Å; S37-S41 PolarHBondContact O-N 2.94Å; S37-S41 PolarHBondContact O-OG 3.43Å
38N85.7Confident84.3Confident94 Ų9469 Ų6950%0.50339%0.39SS..Hα-helixtrans-67.5-45.1175.2-67-23000111.2G34 L35 A36 S41 L42G34-N38 VanDerWaalsContact O-CG 3.29Å; G34-N38 PolarHBondContact O-N 3.08Å; G34-N38 VanDerWaalsContact O-N 3.15Å; G34-N38 PolarHBondContact O-ND2 3.07Å; L35-N38 WeakPolarHBondContact O-CB 3.28Å; L35-N38 PolarHBondContact O-N 2.96Å; L35-N38 VanDerWaalsContact O-N 3.11Å; A36-N38 VanDerWaalsContact C-N 3.34Å; A36-N38 PolarHBondContact O-N 3.17Å; N38-S41 PolarHBondContact O-N 3.14Å; N38-S41 PolarHBondContact O-OG 2.93Å; N38-L42 WeakPolarHBondContact O-CB 3.49Å; N38-L42 PolarHBondContact O-N 3.08Å
39F87.3Confident84.6Confident63 Ų6365.4 Ų65.428%0.27637%0.374SS..Hα-helixtrans-65.1-41.7178.2-76.1-62.5000112.4A21 F28 L35 A36 L42 T43A21-F39 HydrophobicContact CB-CE1 4.28Å; A21-F39 HydrophobicContact CB-CE2 4.19Å; A21-F39 HydrophobicContact CB-CZ 3.61Å; F28-F39 HydrophobicContact CE1-CE2 4.14Å; F28-F39 HydrophobicContact CZ-CE2 4.47Å; L35-F39 HydrophobicContact CB-CD2 4.38Å; L35-F39 HydrophobicContact CB-CE2 4.27Å; L35-F39 WeakPolarHBondContact O-CD2 3.38Å; L35-F39 PolarHBondContact O-N 3Å; A36-F39 PolarHBondContact O-N 3.43Å; F39-L42 PolarHBondContact O-N 3.03Å; F39-T43 WeakPolarHBondContact O-CG2 3.44Å; F39-T43 PolarHBondContact O-N 3.48Å; F39-T43 PolarHBondContact O-OG1 3.42Å
40T88.6Confident84.8Confident27 Ų2761.8 Ų61.817%0.16636%0.356CS..Hα-helixtrans-62.4-43173.649.10000111.4A36 S37 L42 T43 K44 I68 I76A36-T40 WeakPolarHBondContact O-CG2 3.5Å; A36-T40 PolarHBondContact O-N 3.4Å; A36-T40 PolarHBondContact O-OG1 3.33Å; S37-T40 VanDerWaalsContact CA-OG1 3.28Å; S37-T40 WeakPolarHBondContact CA-OG1 3.39Å; S37-T40 PolarHBondContact O-OG1 3.04Å; T40-L42 VanDerWaalsContact C-N 3.27Å; T40-L42 PolarHBondContact O-N 3.17Å; T40-T43 WeakPolarHBondContact CA-OG1 3.5Å; T40-T43 PolarHBondContact O-N 3.41Å; T40-T43 PolarHBondContact O-OG1 3.43Å; T40-K44 PolarHBondContact O-N 3.33Å; T40-K44 VanDerWaalsContact O-N 3.09Å; T40-I68 WeakPolarHBondContact O-CD1 3.44Å; T40-I76 HydrophobicContact CG2-CD1 4.44Å
41S88.2Confident85Confident54 Ų5458.9 Ų58.938%0.37834%0.336SS..Hα-helixtrans-61.7-37.5174.877.70000112.5S37 N38 K44 V45S37-S41 WeakPolarHBondContact O-CB 3.15Å; S37-S41 PolarHBondContact O-N 2.94Å; S37-S41 PolarHBondContact O-OG 3.43Å; N38-S41 PolarHBondContact O-N 3.14Å; N38-S41 PolarHBondContact O-OG 2.93Å; S41-K44 PolarHBondContact O-N 3.08Å; S41-V45 WeakPolarHBondContact O-CG2 3.32Å; S41-V45 PolarHBondContact O-N 3.37Å
42L89.9Confident85Confident13 Ų1356.9 Ų56.97%0.06833%0.325CS..Hα-helixtrans-70.9-41.1179.2-168.5149.3000111.6C14 E17 V18 N38 F39 T40 K44 V45 L46C14-L42 HydrophobicContact CB-CD1 4.33Å; C14-L42 HydrophobicContact CB-CD2 4.45Å; C14-L42 HydrophobicContact CB-CG 4.35Å; E17-L42 HydrophobicContact CB-CD1 3.93Å; V18-L42 HydrophobicContact CG2-CD1 3.66Å; V18-L42 HydrophobicContact CG2-CD2 4.08Å; N38-L42 WeakPolarHBondContact O-CB 3.49Å; N38-L42 PolarHBondContact O-N 3.08Å; F39-L42 PolarHBondContact O-N 3.03Å; T40-L42 VanDerWaalsContact C-N 3.27Å; T40-L42 PolarHBondContact O-N 3.17Å; L42-K44 VanDerWaalsContact C-N 3.31Å; L42-K44 PolarHBondContact O-N 2.97Å; L42-V45 PolarHBondContact O-N 3.04Å; L42-L46 HydrophobicContact CD2-CD1 3.53Å; L42-L46 HydrophobicContact CD2-CG 4.01Å; L42-L46 WeakPolarHBondContact O-CG 3.31Å; L42-L46 PolarHBondContact O-N 3.19Å
43T89.7Confident84.8Confident51 Ų5155.8 Ų55.831%0.31332%0.321SS..Hα-helixtrans-62.2-39.3174.952.70000111.1F39 T40 L46 Y47F39-T43 WeakPolarHBondContact O-CG2 3.44Å; F39-T43 PolarHBondContact O-N 3.48Å; F39-T43 PolarHBondContact O-OG1 3.42Å; T40-T43 WeakPolarHBondContact CA-OG1 3.5Å; T40-T43 PolarHBondContact O-N 3.41Å; T40-T43 PolarHBondContact O-OG1 3.43Å; T43-L46 PolarHBondContact O-N 2.79Å; T43-Y47 VanDerWaalsContact O-CB 3.32Å; T43-Y47 WeakPolarHBondContact O-CB 3.41Å; T43-Y47 PolarHBondContact O-N 2.8Å
44K90.4Very high84.4Confident58 Ų5852.7 Ų52.725%0.25230%0.303SS..Hα-helixtrans-62.8-44.2170.9167.7172.5-172.3152.10113.3T40 S41 L42 L46 Y47 D48 L66 I68T40-K44 PolarHBondContact O-N 3.33Å; T40-K44 VanDerWaalsContact O-N 3.09Å; S41-K44 PolarHBondContact O-N 3.08Å; L42-K44 VanDerWaalsContact C-N 3.31Å; L42-K44 PolarHBondContact O-N 2.97Å; K44-L46 VanDerWaalsContact C-N 3.27Å; K44-L46 PolarHBondContact O-N 3.45Å; K44-Y47 PolarHBondContact O-N 3.43Å; K44-D48 VanDerWaalsContact O-CB 3.32Å; K44-D48 WeakPolarHBondContact O-CB 3.45Å; K44-D48 VanDerWaalsContact O-CG 3.25Å; K44-D48 PolarHBondContact O-N 3.43Å; K44-L66 HydrophobicContact CB-CB 4.06Å; K44-L66 HydrophobicContact CB-CD2 4.03Å; K44-L66 WeakPolarHBondContact CD-O 3.29Å; K44-L66 WeakPolarHBondContact CE-O 3.23Å; K44-L66 HydrophobicContact CG-CB 4.16Å; K44-L66 PolarHBondContact NZ-O 2.79Å; K44-I68 HydrophobicContact CB-CD1 3.35Å; K44-I68 HydrophobicContact CB-CG1 4.07Å; K44-I68 HydrophobicContact CD-CD1 3.5Å; K44-I68 HydrophobicContact CD-CG1 3.97Å; K44-I68 HydrophobicContact CG-CD1 4.08Å
45V89.3Confident83.5Confident75 Ų7555.1 Ų55.146%0.45530%0.304SS..Hα-helixtrans-60.9-40.2177.9170.80000110.8S41 L42 F49S41-V45 WeakPolarHBondContact O-CG2 3.32Å; S41-V45 PolarHBondContact O-N 3.37Å; L42-V45 PolarHBondContact O-N 3.04Å; V45-F49 WeakPolarHBondContact O-CB 3.2Å; V45-F49 PolarHBondContact O-N 2.95Å
46L88Confident82.5Confident67 Ų6757.2 Ų57.235%0.35133%0.333SS..Hα-helixtrans-68.5-43176.5-71.3178.8000112.5L11 C14 L42 T43 K44 F49 N50L11-L46 HydrophobicContact CD2-CD2 4.02Å; C14-L46 HydrophobicContact CB-CD2 4.15Å; L42-L46 HydrophobicContact CD2-CD1 3.53Å; L42-L46 HydrophobicContact CD2-CG 4.01Å; L42-L46 WeakPolarHBondContact O-CG 3.31Å; L42-L46 PolarHBondContact O-N 3.19Å; T43-L46 PolarHBondContact O-N 2.79Å; K44-L46 VanDerWaalsContact C-N 3.27Å; K44-L46 PolarHBondContact O-N 3.45Å; L46-F49 PolarHBondContact O-N 2.91Å; L46-N50 WeakPolarHBondContact O-CB 3.24Å; L46-N50 PolarHBondContact O-N 2.85Å
47Y87.4Confident81.4Confident7 Ų765.7 Ų65.73%0.02736%0.355CS..Hα-helixtrans-62.3-52.6177.5-174.2-88.7000111.8T43 K44 F49 N50 K51 S61 L66 L80 Q83T43-Y47 VanDerWaalsContact O-CB 3.32Å; T43-Y47 WeakPolarHBondContact O-CB 3.41Å; T43-Y47 PolarHBondContact O-N 2.8Å; K44-Y47 PolarHBondContact O-N 3.43Å; Y47-F49 PolarHBondContact O-N 3.33Å; Y47-N50 PolarHBondContact O-N 3.14Å; Y47-N50 VanDerWaalsContact O-N 3.14Å; Y47-K51 HydrophobicContact CD1-CG 4.18Å; Y47-K51 HydrophobicContact CE1-CG 3.91Å; Y47-K51 PolarHBondContact O-N 3.19Å; Y47-S61 PolarHBondContact OH-OG 2.94Å; Y47-L66 HydrophobicContact CD1-CB 3.69Å; Y47-L66 HydrophobicContact CD1-CD1 4.45Å; Y47-L66 HydrophobicContact CD2-CD1 4.28Å; Y47-L66 HydrophobicContact CE1-CB 4.31Å; Y47-L66 HydrophobicContact CE2-CD1 4.35Å; Y47-L66 HydrophobicContact CG-CB 3.9Å; Y47-L66 HydrophobicContact CG-CD1 4.28Å; Y47-L80 HydrophobicContact CD2-CD2 3.5Å; Y47-L80 VanDerWaalsContact CD2-CD2 3.5Å; Y47-L80 HydrophobicContact CE2-CD2 3.95Å; Y47-L80 HydrophobicContact CG-CD2 4.43Å; Y47-Q83 HydrophobicContact CE2-CB 4.03Å; Y47-Q83 HydrophobicContact CE2-CG 4.43Å
48D86.4Confident80.4Confident29 Ų2964.8 Ų64.816%0.15534%0.343CS..Hα-helixtrans-60.5-38.5178.4-69.53.6000110.4K44 I52 K65 L66K44-D48 VanDerWaalsContact O-CB 3.32Å; K44-D48 WeakPolarHBondContact O-CB 3.45Å; K44-D48 VanDerWaalsContact O-CG 3.25Å; K44-D48 PolarHBondContact O-N 3.43Å; D48-I52 VanDerWaalsContact O-CD1 3.3Å; D48-I52 WeakPolarHBondContact O-CD1 3.28Å; D48-I52 WeakPolarHBondContact O-CG1 3.46Å; D48-I52 PolarHBondContact O-N 2.92Å; D48-I52 VanDerWaalsContact O-N 3.08Å; D48-K65 WeakPolarHBondContact OD1-CA 3.36Å; D48-K65 WeakPolarHBondContact OD1-CB 3.5Å; D48-L66 PolarHBondContact OD1-N 3.11Å
49F84.9Confident79.3Confident32 Ų3265.3 Ų65.314%0.1436%0.355CS..Hα-helixtrans-65.6-43.7175.3179.3-103.1000112.4R7 T10 L11 V45 L46 Y47 I52 L53R7-F49 HydrophobicContact CB-CE2 4.31Å; R7-F49 HydrophobicContact CB-CZ 3.79Å; R7-F49 HydrophobicContact CG-CE2 4.25Å; R7-F49 HydrophobicContact CG-CZ 4.02Å; T10-F49 WeakPolarHBondContact OG1-CE2 3.24Å; T10-F49 WeakPolarHBondContact OG1-CZ 3.27Å; L11-F49 HydrophobicContact CD1-CE1 4.11Å; L11-F49 HydrophobicContact CD2-CD1 4.2Å; L11-F49 HydrophobicContact CD2-CE1 3.88Å; L11-F49 HydrophobicContact CG-CE1 3.89Å; L11-F49 HydrophobicContact CG-CZ 4.29Å; V45-F49 WeakPolarHBondContact O-CB 3.2Å; V45-F49 PolarHBondContact O-N 2.95Å; L46-F49 PolarHBondContact O-N 2.91Å; Y47-F49 PolarHBondContact O-N 3.33Å; F49-I52 PolarHBondContact O-N 2.91Å; F49-L53 HydrophobicContact CD1-CD1 3.86Å; F49-L53 HydrophobicContact CE1-CD1 3.29Å; F49-L53 HydrophobicContact CE1-CG 4.21Å; F49-L53 HydrophobicContact CE2-CD1 4.34Å; F49-L53 HydrophobicContact CZ-CD1 3.58Å; F49-L53 HydrophobicContact CZ-CG 4.24Å; F49-L53 WeakPolarHBondContact O-CG 3.47Å; F49-L53 PolarHBondContact O-N 2.96Å
50N83Confident78.3Confident79 Ų7963.1 Ų63.142%0.42235%0.349SS..Hα-helixtrans-62.2-44.7176.7-1679.8000110.8L46 Y47 I52 L53 E54 Q83L46-N50 WeakPolarHBondContact O-CB 3.24Å; L46-N50 PolarHBondContact O-N 2.85Å; Y47-N50 PolarHBondContact O-N 3.14Å; Y47-N50 VanDerWaalsContact O-N 3.14Å; N50-I52 VanDerWaalsContact C-N 3.28Å; N50-I52 PolarHBondContact O-N 3.12Å; N50-L53 CarbonylContact O-C 3.54Å; N50-L53 WeakPolarHBondContact O-CA 3.32Å; N50-L53 WeakPolarHBondContact O-CB 3.45Å; N50-L53 PolarHBondContact O-N 3.41Å; N50-E54 PolarHBondContact O-N 2.82Å; N50-Q83 PolarHBondContact ND2-NE2 3.08Å
51K81.4Confident77.6Confident29 Ų2962.2 Ų62.213%0.12634%0.344CS..Hα-helixtrans-59.9-34.5175.2-76.1-72.4167.1-164.10113.6Y47 L53 E54 S61 L63Y47-K51 HydrophobicContact CD1-CG 4.18Å; Y47-K51 HydrophobicContact CE1-CG 3.91Å; Y47-K51 PolarHBondContact O-N 3.19Å; K51-L53 VanDerWaalsContact C-N 3.25Å; K51-L53 PolarHBondContact O-N 3.34Å; K51-E54 WeakPolarHBondContact CD-OE2 3.43Å; K51-E54 VanDerWaalsContact CE-OE1 3.28Å; K51-E54 WeakPolarHBondContact CE-OE1 3.44Å; K51-E54 VanDerWaalsContact NZ-CD 3.33Å; K51-E54 IonicContact NZ-OE1 2.72Å; K51-E54 PolarHBondContact NZ-OE1 3.49Å; K51-E54 IonicContact NZ-OE2 3.1Å; K51-E54 PolarHBondContact NZ-OE2 2.93Å; K51-S61 WeakPolarHBondContact CE-OG 3.44Å; K51-S61 PolarHBondContact NZ-O 3.09Å; K51-S61 PolarHBondContact NZ-OG 3.23Å; K51-L63 WeakPolarHBondContact CD-O 3.31Å; K51-L63 WeakPolarHBondContact CE-O 3.27Å
52I79Confident77Confident121 Ų12165.1 Ų65.162%0.62136%0.362SS*.Hα-helixtrans-70.2-23.9173.9-67.9161.5000112D48 F49 N50D48-I52 VanDerWaalsContact O-CD1 3.3Å; D48-I52 WeakPolarHBondContact O-CD1 3.28Å; D48-I52 WeakPolarHBondContact O-CG1 3.46Å; D48-I52 PolarHBondContact O-N 2.92Å; D48-I52 VanDerWaalsContact O-N 3.08Å; F49-I52 PolarHBondContact O-N 2.91Å; N50-I52 VanDerWaalsContact C-N 3.28Å; N50-I52 PolarHBondContact O-N 3.12Å
53L71.8Confident76.6Confident43 Ų4367.3 Ų67.323%0.22537%0.374CS..Hα-helixtrans-92.2-16.1-179.3-68.8-175.7000114.4R7 F49 N50 K51 N55R7-L53 HydrophobicContact CG-CD2 4.18Å; F49-L53 HydrophobicContact CD1-CD1 3.86Å; F49-L53 HydrophobicContact CE1-CD1 3.29Å; F49-L53 HydrophobicContact CE1-CG 4.21Å; F49-L53 HydrophobicContact CE2-CD1 4.34Å; F49-L53 HydrophobicContact CZ-CD1 3.58Å; F49-L53 HydrophobicContact CZ-CG 4.24Å; F49-L53 WeakPolarHBondContact O-CG 3.47Å; F49-L53 PolarHBondContact O-N 2.96Å; N50-L53 CarbonylContact O-C 3.54Å; N50-L53 WeakPolarHBondContact O-CA 3.32Å; N50-L53 WeakPolarHBondContact O-CB 3.45Å; N50-L53 PolarHBondContact O-N 3.41Å; K51-L53 VanDerWaalsContact C-N 3.25Å; K51-L53 PolarHBondContact O-N 3.34Å; L53-N55 PolarHBondContact O-N 3.39Å
54E71.2Confident76Confident61 Ų6172.9 Ų72.929%0.28540%0.396SS..  trans-57.6103.4176.4-75.4179-171.200110.3N50 K51 G56 Q83N50-E54 PolarHBondContact O-N 2.82Å; K51-E54 WeakPolarHBondContact CD-OE2 3.43Å; K51-E54 VanDerWaalsContact CE-OE1 3.28Å; K51-E54 WeakPolarHBondContact CE-OE1 3.44Å; K51-E54 VanDerWaalsContact NZ-CD 3.33Å; K51-E54 IonicContact NZ-OE1 2.72Å; K51-E54 PolarHBondContact NZ-OE1 3.49Å; K51-E54 IonicContact NZ-OE2 3.1Å; K51-E54 PolarHBondContact NZ-OE2 2.93Å; E54-G56 VanDerWaalsContact C-N 3.26Å; E54-G56 PolarHBondContact O-N 3.31Å; E54-Q83 PolarHBondContact OE1-NE2 3.4Å
55N61.8Low75.7Confident102 Ų10276.6 Ų76.655%0.54541%0.412SS..  trans-88.952175.8-79.3-16.6000110.4L53 R57L53-N55 PolarHBondContact O-N 3.39Å; N55-R57 PolarHBondContact O-N 2.94Å
56G59.7Low75.6Confident75 Ų7573 Ų7377%0.77339%0.39SS*.SBendtrans55.3-2.7170.200000118.9E54E54-G56 VanDerWaalsContact C-N 3.26Å; E54-G56 PolarHBondContact O-N 3.31Å
57R60.8Low75.5Confident227 Ų22775.2 Ų75.286%0.85740%0.399SS*.SBendtrans-81.6-24.9178.5-74.4-170.3-178.5-169.4-2.1112.4N55N55-R57 PolarHBondContact O-N 2.94Å
58I64.1Low75.4Confident53 Ų5376.5 Ų76.527%0.27241%0.406SS..SBendtrans-128.6104178.9-52.6168.7000105.6G60 V87 Y90I58-G60 PolarHBondContact O-N 3.49Å; I58-V87 HydrophobicContact CG2-CG2 3.93Å; I58-Y90 HydrophobicContact CD1-CD1 3.79Å; I58-Y90 HydrophobicContact CD1-CE1 3.62Å; I58-Y90 HydrophobicContact CG1-CD1 3.96Å; I58-Y90 HydrophobicContact CG1-CE1 3.86Å; I58-Y90 HydrophobicContact CG1-CG 4.33Å
59S61.7Low75.2Confident106 Ų10681.3 Ų81.374%0.74143%0.432SS*.  trans-82.195.5173.951.10000108.6
60G67.8Low75Confident16 Ų1687.8 Ų87.817%0.16547%0.468CS..  trans-76.2-152.2170.500000112.1I58I58-G60 PolarHBondContact O-N 3.49Å
61S73.1Confident74.9Confident8 Ų887.5 Ų87.56%0.05646%0.463CS..  trans-52.3151.8177.262.10000114.3Y47 K51 L63Y47-S61 PolarHBondContact OH-OG 2.94Å; K51-S61 WeakPolarHBondContact CE-OG 3.44Å; K51-S61 PolarHBondContact NZ-O 3.09Å; K51-S61 PolarHBondContact NZ-OG 3.23Å; S61-L63 PolarHBondContact O-N 2.66Å
62P75.9Confident75.1Confident116 Ų11691.7 Ų91.775%0.75349%0.487SS*.SBendtrans-71.5-6.6173.828.7-34.8000114.1L82P62-L82 HydrophobicContact CG-CD2 4.26Å
63L80.4Confident75.4Confident59 Ų5991.3 Ų91.331%0.30949%0.486SS..  trans-79.8126.6-179.7-62.8176000110.9K51 S61 Q79K51-L63 WeakPolarHBondContact CD-O 3.31Å; K51-L63 WeakPolarHBondContact CE-O 3.27Å; S61-L63 PolarHBondContact O-N 2.66Å; L63-Q79 HydrophobicContact CD1-CB 4.01Å; L63-Q79 HydrophobicContact CD1-CG 3.88Å
64Q79Confident76.2Confident167 Ų16796.1 Ų96.178%0.7851%0.507SS*.SBendtrans-80.7-25.2178.8-67.8-1772.600113.3
65K83Confident77Confident136 Ų13696.9 Ų96.959%0.59151%0.511SS*.SBendtrans-147.9153.7-179.1-63.8-175.7-176.6175.40110.5D48D48-K65 WeakPolarHBondContact OD1-CA 3.36Å; D48-K65 WeakPolarHBondContact OD1-CB 3.5Å
66L86.9Confident78.3Confident0 Ų092.5 Ų92.50%049%0.487CS..  trans-80.2128.4174.9-163.671.4000110.8K44 Y47 D48 I76 Q79 L80K44-L66 HydrophobicContact CB-CB 4.06Å; K44-L66 HydrophobicContact CB-CD2 4.03Å; K44-L66 WeakPolarHBondContact CD-O 3.29Å; K44-L66 WeakPolarHBondContact CE-O 3.23Å; K44-L66 HydrophobicContact CG-CB 4.16Å; K44-L66 PolarHBondContact NZ-O 2.79Å; Y47-L66 HydrophobicContact CD1-CB 3.69Å; Y47-L66 HydrophobicContact CD1-CD1 4.45Å; Y47-L66 HydrophobicContact CD2-CD1 4.28Å; Y47-L66 HydrophobicContact CE1-CB 4.31Å; Y47-L66 HydrophobicContact CE2-CD1 4.35Å; Y47-L66 HydrophobicContact CG-CB 3.9Å; Y47-L66 HydrophobicContact CG-CD1 4.28Å; D48-L66 PolarHBondContact OD1-N 3.11Å; L66-I76 HydrophobicContact CD2-CG2 4.06Å; L66-Q79 HydrophobicContact CD1-CB 3.79Å; L66-L80 HydrophobicContact CD1-CD2 4.13Å; L66-L80 HydrophobicContact CD1-CG 4.42Å; L66-L80 HydrophobicContact CD2-CD2 4.44Å
67E85.9Confident79.7Confident113 Ų11397.1 Ų97.153%0.52848%0.481SS..  trans-97.3110.8178.3-65.6-166.3169.900110.5F71E67-F71 HydrophobicContact CB-CD2 4.08Å; E67-F71 HydrophobicContact CB-CE2 3.76Å; E67-F71 WeakPolarHBondContact O-CD2 3.43Å
68I85.2Confident81Confident35 Ų3591.3 Ų91.318%0.17946%0.464CS..  trans-98.2-25.8178.4-59.1170.9000111.5T40 K44 N70 F71 I76T40-I68 WeakPolarHBondContact O-CD1 3.44Å; K44-I68 HydrophobicContact CB-CD1 3.35Å; K44-I68 HydrophobicContact CB-CG1 4.07Å; K44-I68 HydrophobicContact CD-CD1 3.5Å; K44-I68 HydrophobicContact CD-CG1 3.97Å; K44-I68 HydrophobicContact CG-CD1 4.08Å; I68-N70 PolarHBondContact O-N 3.1Å; I68-N70 VanDerWaalsContact O-N 3.13Å; I68-F71 PolarHBondContact O-N 3.36Å; I68-I76 HydrophobicContact CG2-CD1 4.27Å
69N82.3Confident82.1Confident130 Ų13089.9 Ų89.970%0.69546%0.456SS*.THydrogen-bonded Turntrans-71.2115.3-170.2-64.3-16.4000110.1F71N69-F71 WeakPolarHBondContact O-CD2 3.39Å
70N80.3Confident83.3Confident168 Ų16886.2 Ų86.290%0.89843%0.428SS*.THydrogen-bonded Turntrans68.321.7-180-50.7-29.9000115.8I68I68-N70 PolarHBondContact O-N 3.1Å; I68-N70 VanDerWaalsContact O-N 3.13Å
71F82.3Confident84.3Confident72 Ų7291.3 Ų91.332%0.31645%0.448SS..  trans-104.8139.6172.8-76.5-89.5000110.6E67 I68 N69 Q75 I76E67-F71 HydrophobicContact CB-CD2 4.08Å; E67-F71 HydrophobicContact CB-CE2 3.76Å; E67-F71 WeakPolarHBondContact O-CD2 3.43Å; I68-F71 PolarHBondContact O-N 3.36Å; N69-F71 WeakPolarHBondContact O-CD2 3.39Å; F71-Q75 HydrophobicContact CB-CB 4.31Å; F71-Q75 HydrophobicContact CD1-CB 3.74Å; F71-Q75 HydrophobicContact CD1-CG 4.45Å; F71-Q75 VanDerWaalsContact CD1-OE1 3.29Å; F71-I76 HydrophobicContact CB-CG1 4Å
72D85.4Confident84.9Confident118 Ų11894.9 Ų94.963%0.63147%0.466SS*.  trans-74.6157.5171.9-69.7-21.6000110.4E74 Q75 I76D72-E74 PolarHBondContact O-N 2.83Å; D72-E74 VanDerWaalsContact O-N 3.17Å; D72-Q75 HydrophobicContact CB-CG 4.4Å; D72-Q75 VanDerWaalsContact N-OE1 3.07Å; D72-Q75 WeakPolarHBondContact O-CB 3.46Å; D72-Q75 PolarHBondContact O-N 3.04Å; D72-I76 PolarHBondContact O-N 3.19Å; D72-I76 VanDerWaalsContact O-N 3.08Å
73D84.3Confident85.2Confident112 Ų11289.6 Ų89.660%0.59943%0.431SS*.Hα-helixtrans-54.6-39-176.7-67.7-23.3000112.5Q75 I76 W77D73-Q75 VanDerWaalsContact C-N 3.33Å; D73-Q75 PolarHBondContact O-N 3.02Å; D73-I76 PolarHBondContact O-N 3.45Å; D73-W77 PolarHBondContact O-N 3.19Å
74E88.3Confident85.5Confident144 Ų14490.3 Ų90.367%0.67344%0.435SS*.Hα-helixtrans-63.9-37.1176.9-171.6176.5177.400112.3D72 W77 Q78D72-E74 PolarHBondContact O-N 2.83Å; D72-E74 VanDerWaalsContact O-N 3.17Å; E74-W77 WeakPolarHBondContact O-CB 3.12Å; E74-W77 PolarHBondContact O-N 3.16Å; E74-Q78 WeakPolarHBondContact O-CG 3.45Å; E74-Q78 PolarHBondContact O-N 3.4Å
75Q88.3Confident85.8Confident77 Ų7787.7 Ų87.736%0.3642%0.423SS..Hα-helixtrans-72.8-33.8178.2-59.3176.3-34.600111.5F71 D72 D73 W77 Q78 Q79F71-Q75 HydrophobicContact CB-CB 4.31Å; F71-Q75 HydrophobicContact CD1-CB 3.74Å; F71-Q75 HydrophobicContact CD1-CG 4.45Å; F71-Q75 VanDerWaalsContact CD1-OE1 3.29Å; D72-Q75 HydrophobicContact CB-CG 4.4Å; D72-Q75 VanDerWaalsContact N-OE1 3.07Å; D72-Q75 WeakPolarHBondContact O-CB 3.46Å; D72-Q75 PolarHBondContact O-N 3.04Å; D73-Q75 VanDerWaalsContact C-N 3.33Å; D73-Q75 PolarHBondContact O-N 3.02Å; Q75-W77 VanDerWaalsContact C-N 3.32Å; Q75-Q78 PolarHBondContact O-N 3.17Å; Q75-Q79 WeakPolarHBondContact O-CG 3.17Å; Q75-Q79 PolarHBondContact O-N 3.36Å; Q75-Q79 VanDerWaalsContact O-N 3.17Å
76I89Confident85.8Confident11 Ų1183.1 Ų83.16%0.05641%0.407CS..Hα-helixtrans-65-40.5172-61.9173.1000109.8T40 L66 I68 F71 D72 D73 Q79 L80T40-I76 HydrophobicContact CG2-CD1 4.44Å; L66-I76 HydrophobicContact CD2-CG2 4.06Å; I68-I76 HydrophobicContact CG2-CD1 4.27Å; F71-I76 HydrophobicContact CB-CG1 4Å; D72-I76 PolarHBondContact O-N 3.19Å; D72-I76 VanDerWaalsContact O-N 3.08Å; D73-I76 PolarHBondContact O-N 3.45Å; I76-Q79 PolarHBondContact O-N 2.93Å; I76-L80 WeakPolarHBondContact O-CG 3.37Å; I76-L80 PolarHBondContact O-N 3.04Å
77W89.7Confident85.5Confident171 Ų17184.5 Ų84.565%0.64842%0.416SS*.Hα-helixtrans-62.1-43.4174.3-86109.7000112.9D73 E74 Q75 Q79 L80 E81D73-W77 PolarHBondContact O-N 3.19Å; E74-W77 WeakPolarHBondContact O-CB 3.12Å; E74-W77 PolarHBondContact O-N 3.16Å; Q75-W77 VanDerWaalsContact C-N 3.32Å; W77-Q79 VanDerWaalsContact C-N 3.28Å; W77-Q79 PolarHBondContact O-N 3.18Å; W77-L80 HydrophobicContact CE3-CD1 4.26Å; W77-L80 HydrophobicContact CZ3-CD1 4.48Å; W77-L80 WeakPolarHBondContact O-CB 3.3Å; W77-L80 PolarHBondContact O-N 3.44Å; W77-E81 PolarHBondContact O-N 3.24Å
78Q88.4Confident85.5Confident105 Ų10583.9 Ų83.949%0.49142%0.415SS..Hα-helixtrans-60.4-36.6175.6-71.7171.31.700112.4E74 Q75 L80 E81 L82E74-Q78 WeakPolarHBondContact O-CG 3.45Å; E74-Q78 PolarHBondContact O-N 3.4Å; Q75-Q78 PolarHBondContact O-N 3.17Å; Q78-L80 VanDerWaalsContact C-N 3.3Å; Q78-L80 PolarHBondContact O-N 3.47Å; Q78-E81 PolarHBondContact O-N 3.2Å; Q78-L82 PolarHBondContact O-N 3.25Å; Q78-L82 VanDerWaalsContact O-N 3.14Å
79Q86.1Confident85.4Confident23 Ų2387.1 Ų87.111%0.10743%0.43CS..Hα-helixtrans-65.9-32.4174.5-68.9177.627.800112.8L63 L66 Q75 I76 W77L63-Q79 HydrophobicContact CD1-CB 4.01Å; L63-Q79 HydrophobicContact CD1-CG 3.88Å; L66-Q79 HydrophobicContact CD1-CB 3.79Å; Q75-Q79 WeakPolarHBondContact O-CG 3.17Å; Q75-Q79 PolarHBondContact O-N 3.36Å; Q75-Q79 VanDerWaalsContact O-N 3.17Å; I76-Q79 PolarHBondContact O-N 2.93Å; W77-Q79 VanDerWaalsContact C-N 3.28Å; W77-Q79 PolarHBondContact O-N 3.18Å
80L87.8Confident85.5Confident29 Ų2985.9 Ų85.915%0.15242%0.416CS..Hα-helixtrans-76-41.2175.3-67.4175000111.6Y47 L66 I76 W77 Q78 L82 Q83 N84Y47-L80 HydrophobicContact CD2-CD2 3.5Å; Y47-L80 VanDerWaalsContact CD2-CD2 3.5Å; Y47-L80 HydrophobicContact CE2-CD2 3.95Å; Y47-L80 HydrophobicContact CG-CD2 4.43Å; L66-L80 HydrophobicContact CD1-CD2 4.13Å; L66-L80 HydrophobicContact CD1-CG 4.42Å; L66-L80 HydrophobicContact CD2-CD2 4.44Å; I76-L80 WeakPolarHBondContact O-CG 3.37Å; I76-L80 PolarHBondContact O-N 3.04Å; W77-L80 HydrophobicContact CE3-CD1 4.26Å; W77-L80 HydrophobicContact CZ3-CD1 4.48Å; W77-L80 WeakPolarHBondContact O-CB 3.3Å; W77-L80 PolarHBondContact O-N 3.44Å; Q78-L80 VanDerWaalsContact C-N 3.3Å; Q78-L80 PolarHBondContact O-N 3.47Å; L80-L82 VanDerWaalsContact C-N 3.29Å; L80-L82 PolarHBondContact O-N 3.23Å; L80-Q83 WeakPolarHBondContact O-CB 3.44Å; L80-Q83 PolarHBondContact O-N 2.85Å; L80-N84 PolarHBondContact O-N 3.39Å
81E89Confident85.7Confident124 Ų12483 Ų8358%0.57940%0.396SS*.Hα-helixtrans-58.3-42.4177.6-172.7169.8-156.300111.5W77 Q78 Q83 N84 E85W77-E81 PolarHBondContact O-N 3.24Å; Q78-E81 PolarHBondContact O-N 3.2Å; E81-Q83 PolarHBondContact O-N 3.27Å; E81-Q83 VanDerWaalsContact O-N 3.1Å; E81-N84 PolarHBondContact O-N 3.44Å; E81-E85 WeakPolarHBondContact O-CB 3.42Å; E81-E85 PolarHBondContact O-N 3.03Å
82L85.6Confident86Confident82 Ų8285.6 Ų85.643%0.42941%0.409SS..Hα-helixtrans-58.6-25.4174.9-168.666.9000113.5P62 Q78 L80 P86P62-L82 HydrophobicContact CG-CD2 4.26Å; Q78-L82 PolarHBondContact O-N 3.25Å; Q78-L82 VanDerWaalsContact O-N 3.14Å; L80-L82 VanDerWaalsContact C-N 3.29Å; L80-L82 PolarHBondContact O-N 3.23Å; L82-P86 WeakPolarHBondContact O-CD 3.39Å
83Q82.6Confident86Confident6 Ų685 Ų853%0.02841%0.405CS..Hα-helixtrans-87.7-40.8172.5-170.3-174.515.800111.7Y47 N50 E54 L80 E81 P86 V87Y47-Q83 HydrophobicContact CE2-CB 4.03Å; Y47-Q83 HydrophobicContact CE2-CG 4.43Å; N50-Q83 PolarHBondContact ND2-NE2 3.08Å; E54-Q83 PolarHBondContact OE1-NE2 3.4Å; L80-Q83 WeakPolarHBondContact O-CB 3.44Å; L80-Q83 PolarHBondContact O-N 2.85Å; E81-Q83 PolarHBondContact O-N 3.27Å; E81-Q83 VanDerWaalsContact O-N 3.1Å; Q83-P86 WeakPolarHBondContact O-CD 3.28Å; Q83-P86 WeakPolarHBondContact O-CG 3.48Å; Q83-V87 WeakPolarHBondContact O-CG2 3.23Å
84N85.4Confident86Confident74 Ų7480.9 Ų80.940%0.39639%0.387SS..Hα-helixtrans-73.5-36.6-172.7-70.2-17.1000112.6L80 E81 V87 L88L80-N84 PolarHBondContact O-N 3.39Å; E81-N84 PolarHBondContact O-N 3.44Å; N84-V87 PolarHBondContact O-N 2.88Å; N84-L88 HydrophobicContact CB-CD1 4.5Å; N84-L88 VanDerWaalsContact O-CB 3.29Å; N84-L88 WeakPolarHBondContact O-CB 3.49Å; N84-L88 WeakPolarHBondContact O-CG 3.35Å; N84-L88 PolarHBondContact O-N 2.9Å
85E86.2Confident85.9Confident111 Ų11177.7 Ų77.752%0.51938%0.377SS..Hα-helixtrans-56.7-53.2179.9-170.8-177.1-173.700113.4E81 V87 L88 Q89E81-E85 WeakPolarHBondContact O-CB 3.42Å; E81-E85 PolarHBondContact O-N 3.03Å; E85-V87 VanDerWaalsContact C-N 3.3Å; E85-V87 PolarHBondContact O-N 2.91Å; E85-L88 PolarHBondContact O-N 3.03Å; E85-Q89 WeakPolarHBondContact O-CG 3.24Å; E85-Q89 PolarHBondContact O-N 3.16Å
86P82.1Confident85.7Confident41 Ų4176.5 Ų76.527%0.26638%0.377SS..Hα-helixtrans-67.9-29.8177.726.3-35.4000112.9L82 Q83 Y90L82-P86 WeakPolarHBondContact O-CD 3.39Å; Q83-P86 WeakPolarHBondContact O-CD 3.28Å; Q83-P86 WeakPolarHBondContact O-CG 3.48Å; P86-Y90 WeakPolarHBondContact O-CB 3.46Å; P86-Y90 PolarHBondContact O-N 3.44Å
87V81.9Confident85.3Confident29 Ų2982 Ų8218%0.17640%0.403CS..Hα-helixtrans-72.1-39.7177.81720000110.8I58 Q83 N84 E85 Y90 F91I58-V87 HydrophobicContact CG2-CG2 3.93Å; Q83-V87 WeakPolarHBondContact O-CG2 3.23Å; N84-V87 PolarHBondContact O-N 2.88Å; E85-V87 VanDerWaalsContact C-N 3.3Å; E85-V87 PolarHBondContact O-N 2.91Å; V87-Y90 WeakPolarHBondContact O-CB 3.33Å; V87-Y90 PolarHBondContact O-N 2.92Å; V87-F91 HydrophobicContact CG1-CD2 3.64Å; V87-F91 HydrophobicContact CG1-CE2 3.3Å; V87-F91 HydrophobicContact CG1-CZ 4.38Å; V87-F91 WeakPolarHBondContact O-CD2 3.35Å; V87-F91 PolarHBondContact O-N 2.94Å
88L84.9Confident84.7Confident100 Ų10076.7 Ų76.752%0.52439%0.39SS..Hα-helixtrans-66.7-43175.8-75171.8000111.2N84 E85 Y90 F91 Q92N84-L88 HydrophobicContact CB-CD1 4.5Å; N84-L88 VanDerWaalsContact O-CB 3.29Å; N84-L88 WeakPolarHBondContact O-CB 3.49Å; N84-L88 WeakPolarHBondContact O-CG 3.35Å; N84-L88 PolarHBondContact O-N 2.9Å; E85-L88 PolarHBondContact O-N 3.03Å; L88-Y90 VanDerWaalsContact C-N 3.3Å; L88-Y90 PolarHBondContact O-N 3.46Å; L88-F91 PolarHBondContact O-N 2.89Å; L88-Q92 WeakPolarHBondContact O-CB 3.18Å; L88-Q92 VanDerWaalsContact O-CG 3.29Å; L88-Q92 WeakPolarHBondContact O-CG 3.28Å; L88-Q92 PolarHBondContact O-N 3Å
89Q84.3Confident84.2Confident103 Ų10377.3 Ų77.348%0.48140%0.395SS..Hα-helixtrans-59.6-42.4173.2-72.5176.64.100111.5E85 F91 Q92 N93E85-Q89 WeakPolarHBondContact O-CG 3.24Å; E85-Q89 PolarHBondContact O-N 3.16Å; Q89-F91 PolarHBondContact O-N 3.27Å; Q89-Q92 PolarHBondContact O-N 3.37Å; Q89-N93 WeakPolarHBondContact O-CB 3.47Å; Q89-N93 PolarHBondContact O-N 3.14Å; Q89-N93 PolarHBondContact O-OD1 2.89Å
90Y84.3Confident83.6Confident104 Ų10483.2 Ų83.241%0.40842%0.423SS..Hα-helixtrans-60.7-44.9174.5174.9-99.3000112.4I58 P86 V87 L88 N93 A94I58-Y90 HydrophobicContact CD1-CD1 3.79Å; I58-Y90 HydrophobicContact CD1-CE1 3.62Å; I58-Y90 HydrophobicContact CG1-CD1 3.96Å; I58-Y90 HydrophobicContact CG1-CE1 3.86Å; I58-Y90 HydrophobicContact CG1-CG 4.33Å; P86-Y90 WeakPolarHBondContact O-CB 3.46Å; P86-Y90 PolarHBondContact O-N 3.44Å; V87-Y90 WeakPolarHBondContact O-CB 3.33Å; V87-Y90 PolarHBondContact O-N 2.92Å; L88-Y90 VanDerWaalsContact C-N 3.3Å; L88-Y90 PolarHBondContact O-N 3.46Å; Y90-N93 PolarHBondContact O-N 3.04Å; Y90-A94 WeakPolarHBondContact O-CB 3.35Å; Y90-A94 PolarHBondContact O-N 2.89Å
91F84.2Confident82.9Confident108 Ų10886.3 Ų86.347%0.47444%0.439SS..Hα-helixtrans-70.4-33.8177.8-73.3-57.3000113.1V87 L88 Q89 A94 V95V87-F91 HydrophobicContact CG1-CD2 3.64Å; V87-F91 HydrophobicContact CG1-CE2 3.3Å; V87-F91 HydrophobicContact CG1-CZ 4.38Å; V87-F91 WeakPolarHBondContact O-CD2 3.35Å; V87-F91 PolarHBondContact O-N 2.94Å; L88-F91 PolarHBondContact O-N 2.89Å; Q89-F91 PolarHBondContact O-N 3.27Å; F91-A94 PolarHBondContact O-N 3.07Å; F91-V95 VanDerWaalsContact O-CB 3.27Å; F91-V95 WeakPolarHBondContact O-CB 3.42Å; F91-V95 WeakPolarHBondContact O-CG2 3.26Å; F91-V95 PolarHBondContact O-N 2.88Å
92Q87.8Confident81.7Confident126 Ų12688.7 Ų88.759%0.58945%0.45SS*.Hα-helixtrans-62.4-46.6173.3-77.6173.4-13.300110.6L88 Q89 V95 S96L88-Q92 WeakPolarHBondContact O-CB 3.18Å; L88-Q92 VanDerWaalsContact O-CG 3.29Å; L88-Q92 WeakPolarHBondContact O-CG 3.28Å; L88-Q92 PolarHBondContact O-N 3Å; Q89-Q92 PolarHBondContact O-N 3.37Å; Q92-V95 PolarHBondContact O-N 2.93Å; Q92-S96 PolarHBondContact O-N 3.3Å; Q92-S96 PolarHBondContact O-OG 3.34Å
93N85.5Confident80.6Confident104 Ų10492.4 Ų92.456%0.55647%0.471SS*.Hα-helixtrans-66.1-39.7177.1-64.6-3.4000112Q89 Y90 V95 S96 E97Q89-N93 WeakPolarHBondContact O-CB 3.47Å; Q89-N93 PolarHBondContact O-N 3.14Å; Q89-N93 PolarHBondContact O-OD1 2.89Å; Y90-N93 PolarHBondContact O-N 3.04Å; N93-V95 VanDerWaalsContact C-N 3.33Å; N93-S96 WeakPolarHBondContact CA-OG 3.37Å; N93-S96 PolarHBondContact O-N 3.14Å; N93-S96 PolarHBondContact O-OG 3.3Å; N93-E97 VanDerWaalsContact O-CB 3.28Å; N93-E97 WeakPolarHBondContact O-CB 3.32Å; N93-E97 PolarHBondContact O-N 2.83Å
94A83.9Confident79.7Confident26 Ų2697.8 Ų97.822%0.21550%0.499CS..Hα-helixtrans-67.4-36.1176.200000111.7Y90 F91 T98Y90-A94 WeakPolarHBondContact O-CB 3.35Å; Y90-A94 PolarHBondContact O-N 2.89Å; F91-A94 PolarHBondContact O-N 3.07Å; A94-T98 WeakPolarHBondContact O-CB 3.32Å; A94-T98 VanDerWaalsContact O-CG2 3.23Å; A94-T98 WeakPolarHBondContact O-CG2 3.08Å; A94-T98 PolarHBondContact O-N 3.34Å; A94-T98 PolarHBondContact O-OG1 3.43Å; A94-T98 VanDerWaalsContact O-OG1 3.04Å
95V87.1Confident78.6Confident78 Ų7898.8 Ų98.847%0.47351%0.512SS..Hα-helixtrans-70.5-42176.41680000110.6F91 Q92 N93 T98 I99F91-V95 VanDerWaalsContact O-CB 3.27Å; F91-V95 WeakPolarHBondContact O-CB 3.42Å; F91-V95 WeakPolarHBondContact O-CG2 3.26Å; F91-V95 PolarHBondContact O-N 2.88Å; Q92-V95 PolarHBondContact O-N 2.93Å; N93-V95 VanDerWaalsContact C-N 3.33Å; V95-T98 WeakPolarHBondContact CA-OG1 3.41Å; V95-T98 PolarHBondContact O-N 3.13Å; V95-T98 PolarHBondContact O-OG1 2.94Å; V95-I99 HydrophobicContact CG1-CD1 3.55Å; V95-I99 HydrophobicContact CG1-CG1 4.25Å; V95-I99 WeakPolarHBondContact O-CB 3.47Å; V95-I99 WeakPolarHBondContact O-CD1 3.1Å; V95-I99 WeakPolarHBondContact O-CG1 3.33Å; V95-I99 PolarHBondContact O-N 3.46Å
96S83.2Confident77.3Confident51 Ų51101.9 Ų101.936%0.35753%0.531SS..Hα-helixtrans-62.5-45.6174.760.90000111.6Q92 N93 T98 I99 E100Q92-S96 PolarHBondContact O-N 3.3Å; Q92-S96 PolarHBondContact O-OG 3.34Å; N93-S96 WeakPolarHBondContact CA-OG 3.37Å; N93-S96 PolarHBondContact O-N 3.14Å; N93-S96 PolarHBondContact O-OG 3.3Å; S96-T98 VanDerWaalsContact C-N 3.3Å; S96-T98 PolarHBondContact O-N 3.4Å; S96-I99 PolarHBondContact O-N 3.2Å; S96-I99 VanDerWaalsContact O-N 3.07Å; S96-E100 WeakPolarHBondContact O-CG 3.33Å; S96-E100 PolarHBondContact O-N 3.46Å
97E82.1Confident75.6Confident126 Ų126106.6 Ų106.659%0.58955%0.553SS**Hα-helixtrans-58.7-40.5175.3-170.5176.6-169.500111.3N93 E100 D101N93-E97 VanDerWaalsContact O-CB 3.28Å; N93-E97 WeakPolarHBondContact O-CB 3.32Å; N93-E97 PolarHBondContact O-N 2.83Å; E97-E100 PolarHBondContact O-N 2.97Å; E97-D101 PolarHBondContact O-N 3.28Å; E97-D101 VanDerWaalsContact O-N 3.14Å
98T76.1Confident73.8Confident61 Ų61111.1 Ų111.137%0.37458%0.583SS.*Hα-helixtrans-77.9-17176.557.60000115.1A94 V95 S96 L104A94-T98 WeakPolarHBondContact O-CB 3.32Å; A94-T98 VanDerWaalsContact O-CG2 3.23Å; A94-T98 WeakPolarHBondContact O-CG2 3.08Å; A94-T98 PolarHBondContact O-N 3.34Å; A94-T98 PolarHBondContact O-OG1 3.43Å; A94-T98 VanDerWaalsContact O-OG1 3.04Å; V95-T98 WeakPolarHBondContact CA-OG1 3.41Å; V95-T98 PolarHBondContact O-N 3.13Å; V95-T98 PolarHBondContact O-OG1 2.94Å; S96-T98 VanDerWaalsContact C-N 3.3Å; S96-T98 PolarHBondContact O-N 3.4Å; T98-L104 HydrophobicContact CG2-CD1 4.43Å
99I78.4Confident71.6Confident118 Ų118114.8 Ų114.861%0.60560%0.598SS**Hα-helixtrans-80.9-34.5173-73.3164.5000109.3V95 S96 D101V95-I99 HydrophobicContact CG1-CD1 3.55Å; V95-I99 HydrophobicContact CG1-CG1 4.25Å; V95-I99 WeakPolarHBondContact O-CB 3.47Å; V95-I99 WeakPolarHBondContact O-CD1 3.1Å; V95-I99 WeakPolarHBondContact O-CG1 3.33Å; V95-I99 PolarHBondContact O-N 3.46Å; S96-I99 PolarHBondContact O-N 3.2Å; S96-I99 VanDerWaalsContact O-N 3.07Å; I99-D101 VanDerWaalsContact C-N 3.27Å
100E73.8Confident69.2Low147 Ų147115.3 Ų115.369%0.68761%0.612SS**Hα-helixtrans-66.3-30.5170.9-68.4165.3-163.400111.6S96 E97 E102S96-E100 WeakPolarHBondContact O-CG 3.33Å; S96-E100 PolarHBondContact O-N 3.46Å; E97-E100 PolarHBondContact O-N 2.97Å; E100-E102 PolarHBondContact O-N 2.88Å; E100-E102 VanDerWaalsContact O-N 3.1Å
101D73.7Confident66.9Low94 Ų94118.3 Ų118.350%0.50363%0.63SS.*SBendtrans-7686.6168-69.4-31.1000110.9E97 I99 D103E97-D101 PolarHBondContact O-N 3.28Å; E97-D101 VanDerWaalsContact O-N 3.14Å; I99-D101 VanDerWaalsContact C-N 3.27Å; D101-D103 PolarHBondContact O-N 2.93Å
102E63.8Low64.4Low174 Ų174119.8 Ų119.881%0.81364%0.643SS**THydrogen-bonded Turntrans-52.7-3.7178.7-72.5-72.8158.800116.3E100E100-E102 PolarHBondContact O-N 2.88Å; E100-E102 VanDerWaalsContact O-N 3.1Å
103D61.7Low61.8Low160 Ų160122 Ų12286%0.85665%0.653SS**THydrogen-bonded Turntrans-87.43.5-175.8-75.4-21.9000114.4D101D101-D103 PolarHBondContact O-N 2.93Å
104L63.9Low59.2Low119 Ų119125.8 Ų125.862%0.62367%0.668SS**  trans-118.587-174.5-80.8161.9000113.8T98T98-L104 HydrophobicContact CG2-CD1 4.43Å
105S61.8Low56.5Low94 Ų94131 Ų13166%0.65770%0.701SS**  trans-81.2121.6166.655.80000111.4L107S105-L107 PolarHBondContact O-N 3.25Å
106L58.5Low53.8Low177 Ų177135.3 Ų135.393%0.92772%0.716SS**SBendtrans-80.63178.8-79.9169.3000114.1
107L47.1Very low51.1Low140 Ų140140.5 Ų140.573%0.73374%0.735SS**SBendtrans-111.2130.6177.4-60.5179000108.6S105 E109S105-L107 PolarHBondContact O-N 3.25Å; L107-E109 PolarHBondContact O-N 3.11Å; L107-E109 VanDerWaalsContact O-N 3.14Å
108P43.3Very low48.4Very low124 Ų124141.4 Ų141.481%0.80574%0.744SS**  trans-61.6119.4170.7-1023.6000108.1S110P108-S110 PolarHBondContact O-N 3.2Å
109E38.8Very low46Very low177 Ų177142.3 Ų142.383%0.82776%0.758SS**  trans-56.4110.6165-82.8-178.7142.900108L107 E111L107-E109 PolarHBondContact O-N 3.11Å; L107-E109 VanDerWaalsContact O-N 3.14Å; E109-E111 PolarHBondContact O-N 3.35Å; E109-E111 VanDerWaalsContact O-N 3.16Å
110S34.5Very low43.4Very low113 Ų113141.8 Ų141.879%0.7977%0.765SS**  trans-73.6101.3167.651.50000108P108P108-S110 PolarHBondContact O-N 3.2Å
111E36.8Very low41.3Very low168 Ų168142.7 Ų142.779%0.78577%0.769SS**  trans-59.4151.9149.8-62.2-177.3158.900108.9E109E109-E111 PolarHBondContact O-N 3.35Å; E109-E111 VanDerWaalsContact O-N 3.16Å
112D31.3Very low39.1Very low139 Ų139145.2 Ų145.274%0.74379%0.787SS**  trans98.4140.7170.2-50.9-24.5000115.7
113Q32.3Very low37.4Very low171 Ų171142.4 Ų142.480%0.79977%0.774SS**  cis-178.9143.4-15.4-168.414217.900104.5C115Q113-C115 PolarHBondContact O-N 3.01Å
114E32.2Very low35.7Very low184 Ų184143.1 Ų143.186%0.8677%0.772SS**  trans-52.7132.4172.8-59.4172.7162.200111.5
115C26.3Very low33.8Very low137 Ų137143.6 Ų143.693%0.92677%0.771SS**  trans-173.3138.9147.4-94.80000112.8Q113Q113-C115 PolarHBondContact O-N 3.01Å
116E30.4Very low32.1Very low168 Ų168145.8 Ų145.879%0.78578%0.78SS**  trans-75.3160.7-179-73.7-85.3-173.300115.1
117E27.5Very low30.4Very low159 Ų159145.7 Ų145.774%0.74378%0.775SS**  trans61.2120.8146.5-74.1177.1171.200123.4
118D23.8Very low29.3Very low145 Ų145142.9 Ų142.978%0.77577%0.767SS**  76.7111.8129.8-76.9-30.2000124.3
119A25.8Very low28.6Very low81 Ų81144.3 Ų144.367%0.66976%0.763SS**  80.6122.5116.300000122.9
120S25.4Very low28Very low107 Ų107143 Ų14375%0.74876%0.757SS**  trans74.2103.9146.566.90000118.1
121E29.6Very low27.6Very low165 Ų165144.4 Ų144.477%0.77175%0.749SS**  71.8112.885.3-81.4-168.8165.600114.7
122V27Very low26.9Very low147 Ų147143.8 Ų143.889%0.89175%0.75SS**  -146.5113.9127.7176.10000108.2
123E27.1Very low26.6Very low116 Ų116145.1 Ų145.154%0.54275%0.752SS.*  trans-67.1166171.3-60.9-175.813300113.1K131E123-K131 IonicContact OE1-NZ 3.45Å; E123-K131 PolarHBondContact OE1-NZ 2.86Å
124Q26.2Very low26.1Very low174 Ų174142.3 Ų142.381%0.81375%0.747SS**  156.693122.4-154.9165.13000109.6
125E25.5Very low25.6Very low130 Ų130141.2 Ų141.261%0.60775%0.747SS**  80.211977.6-74.1-171.4162.600116
126V24.1Very low25.6Very low140 Ų140137.9 Ų137.985%0.84873%0.729SS**  -172.9130.6125.9-96.60000105
127E24.2Very low25.3Very low174 Ų174138.4 Ų138.481%0.81373%0.732SS**SBendcis-172.6147.324.1-119.8179.8148.500104.2
128S23.9Very low25.2Very low82 Ų82139 Ų13957%0.57373%0.734SS**  cis-161.2117.55.9-37.30000106.1
129Q29.1Very low25.2Very low153 Ų153140.4 Ų140.472%0.71574%0.736SS**  78.613296.8-76.3176.8-61.600114
130E24.6Very low25.1Very low150 Ų150145.4 Ų145.470%0.70175%0.746SS**  cis-168.5129.413.3-119.1158.4-178.600107.8
131K26.8Very low25Very low143 Ų143147.7 Ų147.762%0.62275%0.749SS**  60.712172-98.6-175.7-179.3-179.40113.2E123E123-K131 IonicContact OE1-NZ 3.45Å; E123-K131 PolarHBondContact OE1-NZ 2.86Å
132L22.8Very low24.7Very low154 Ų154144.2 Ų144.281%0.80674%0.742SS**  176.2150.396.4-14381.9000113.4
133E24Very low24.5Very low167 Ų167144.6 Ų144.678%0.7874%0.739SS**  trans-88.9-172.1175.1-53.6170.4126.200113.6
134T21.7Very low24.2Very low113 Ų113144.9 Ų144.969%0.69375%0.749SS**  trans88.4105.2146.750.10000121.3
135D22.1Very low24Very low160 Ų160141 Ų14186%0.85675%0.746SS**  82.9137.7108.6-134.210.3000123.5
136A25.9Very low24.1Very low67 Ų67139.1 Ų139.155%0.55475%0.754SS**  trans73124.6149.500000123.9
137E23.7Very low24.1Very low180 Ų180140.2 Ų140.284%0.84175%0.754SS**  trans72.6137.4140.8-67.4176.9-165.400118.4
138E25.7Very low24.2Very low170 Ų170135.6 Ų135.679%0.79475%0.746SS**  cis-145151.7-3.8-58.2-170.5134.400105.3
139E24.9Very low24.8Very low176 Ų176136.9 Ų136.982%0.82275%0.752SS**  -154.4109.893.6-91.8-168.116600109.7
140Q23.5Very low24.6Very low185 Ų185138.6 Ų138.686%0.86476%0.758SS**  trans-98.4107.4154.2-161162.525.400106.2
141L23.3Very low24.5Very low156 Ų156138.3 Ų138.382%0.81777%0.766SS**  trans-90.4100.7159.7-82.2174000108.9
142S22.5Very low24.4Very low91 Ų91134.7 Ų134.764%0.63677%0.769SS**  trans-78.3138156.452.90000111.1
143D22.1Very low24.7Very low155 Ų155136.7 Ų136.783%0.82977%0.774SS**  -172.5104.5128.9-126.910.8000108.1
144V22.1Very low24.9Very low122 Ų122139.4 Ų139.474%0.73978%0.778SS**  92.1127.772168.50000113.9
145A22.6Very low25.1Very low92 Ų92142 Ų14276%0.7679%0.787SS**  trans75110.4151.700000121
146A25.6Very low25.4Very low92 Ų92146 Ų14676%0.7679%0.79SS**  -177.910994.900000108
147D24.5Very low25.4Very low162 Ų162148.6 Ų148.687%0.86681%0.805SS**  71.9121.994.3-152.419.2000113.6
148A26.7Very low25.6Very low77 Ų77145.1 Ų145.164%0.63680%0.8SS**  trans-68.7-172.6168.100000109.3
149P37.2Very low25.5Very low109 Ų109143.7 Ų143.771%0.70880%0.803SS**  cis-146.2-166833-6.7000115.3
150K23.7Very low25.9Very low190 Ų190144.6 Ų144.683%0.82680%0.804SS**  trans94.4111.8157.5-68.6-178.3178.7177.50117.7
151V23.6Very low26.3Very low143 Ų143141.7 Ų141.787%0.86780%0.802SS**  89.4122.270.8167.50000113.5
152G24.7Very low26.4Very low68 Ų68141.2 Ų141.270%0.70180%0.8SS**  trans80.3146155.100000116
153Q28Very low27.8Very low195 Ų195141.1 Ų141.191%0.91180%0.797SS**  cis-156.9171.38.4-79.1-171.510.200109.3
154R28.3Very low28Very low225 Ų225144.5 Ų144.585%0.84980%0.798SS**  trans-42.5153.5169.3-63167.4175.5145-2114.5
155D26.5Very low28.3Very low166 Ų166148 Ų14889%0.88880%0.803SS**  -163.1143112.8-96.8-24.7000114.6
156R28.5Very low28.6Very low244 Ų244148.4 Ų148.492%0.92180%0.801SS**  trans-72.4151.4175.8-71.1-178.7167.7-171.6-1.1111.2
157S26.8Very low29.3Very low123 Ų123149.5 Ų149.586%0.8680%0.8SS**  -151.5128.912865.80000112.2
158S26.4Very low29.6Very low106 Ų106148.5 Ų148.574%0.74180%0.8SS**  trans-77.6151.8176.448.30000112.4
159T25.1Very low29.7Very low141 Ų141153.6 Ų153.687%0.86581%0.808SS**  trans-161.7112.5137.6-66.40000109.5
160K32.9Very low29.1Very low194 Ų194154.1 Ų154.184%0.84381%0.814SS**  trans-78.2160.7157.2-56.4-174.5172.8-178.70108.4
161P31.4Very low29.4Very low125 Ų125151.7 Ų151.781%0.81281%0.81SS**  -149.4160.777.137.1-16.3000116.3
162D26.5Very low29.8Very low146 Ų146153.4 Ų153.478%0.78181%0.809SS**  trans-85.2-170.1159.7-15717.6000108.8
163P50.2Low30Very low89 Ų89157.5 Ų157.558%0.57881%0.814SS**  cis-128.9-172.7-35.714.211.3000112.8
164R26.7Very low30.3Very low225 Ų225153 Ų15385%0.84981%0.805SS**  trans119.2110.3146.5-61.4177.5-177.2-171.50.6116.2
165K28.5Very low30.6Very low195 Ų195150.3 Ų150.385%0.84881%0.807SS**  169.5111.9103.3-92-176.6177.71780113.4
166S29.6Very low31Very low101 Ų101148.9 Ų148.971%0.70680%0.799SS**  trans42.2136.3139.862.40000123.4
167P40.8Very low31.5Very low116 Ų116145.2 Ų145.275%0.75380%0.797SS**  trans-90.2154.516637.5-30.2000111.8
168V30.3Very low31.9Very low141 Ų141147.7 Ų147.786%0.85579%0.793SS**  trans-118.2118.8170.3179.20000108.4
169F28.3Very low32.9Very low183 Ų183148.4 Ų148.480%0.80379%0.789SS**  trans-78.7150.8165.5-89.7-97000110.6
170S25.5Very low33.6Very low120 Ų120148.3 Ų148.384%0.83978%0.782SS**  trans-147.3123.4151.2-173.20000108.7
171D30.1Very low34.5Very low139 Ų139142 Ų14274%0.74376%0.762SS**  trans-84.2177.2176-97.7-34.4000112.9
172E31.1Very low35.5Very low180 Ų180143.7 Ų143.784%0.84176%0.756SS**  trans83.8123.4165.3-59.9-172.3136.700116.1
173D29.7Very low36.3Very low153 Ų153143 Ų14382%0.81875%0.752SS**  cis-136.1146.140.5-83.5-41.2000115.4
174S34.3Very low36Very low101 Ų101146 Ų14671%0.70676%0.758SS**  trans-80.8138.6164.651.80000112.4
175D33.9Very low37.2Very low169 Ų169142.9 Ų142.990%0.90475%0.753SS**  trans-138.8120.9151-86.5-30.7000109.1
176L35.1Very low37.9Very low136 Ų136140.9 Ų140.971%0.71275%0.747SS**  trans-118.798.9-168.2-161.7162.1000107.3F178L176-F178 HydrophobicContact CD2-CD2 3.43Å; L176-F178 VanDerWaalsContact CD2-CD2 3.43Å; L176-F178 HydrophobicContact CD2-CE2 3.67Å
177D37.8Very low38.2Very low166 Ų166141.6 Ų141.689%0.88875%0.747SS**  trans-86.8110.9173.1-78.9-24.2000110.1D179D177-D179 PolarHBondContact O-N 3.25Å
178F36.3Very low38.3Very low175 Ų175145 Ų14577%0.76875%0.75SS**  trans-73.3110.9172-110-97.1000110.3L176 I180L176-F178 HydrophobicContact CD2-CD2 3.43Å; L176-F178 VanDerWaalsContact CD2-CD2 3.43Å; L176-F178 HydrophobicContact CD2-CE2 3.67Å; F178-I180 PolarHBondContact O-N 3.36Å
179D46.3Very low38.4Very low122 Ų122147 Ų14765%0.65275%0.752SS**  trans-90.689.9-179.4-141.4-19.6000111.2D177 S181 K182D177-D179 PolarHBondContact O-N 3.25Å; D179-S181 PolarHBondContact O-N 3.05Å; D179-S181 VanDerWaalsContact O-N 3.14Å; D179-S181 PolarHBondContact OD1-OG 2.89Å; D179-K182 PolarHBondContact O-N 3.08Å
180I40.7Very low38.5Very low139 Ų139147 Ų14771%0.71376%0.755SS**THydrogen-bonded Turntrans-62.8-15-178.9-70.6162.7000112.6F178 K182F178-I180 PolarHBondContact O-N 3.36Å; I180-K182 VanDerWaalsContact C-N 3.31Å; I180-K182 PolarHBondContact O-N 2.87Å
181S51.1Low38.9Very low62 Ų62148 Ų14843%0.43476%0.757SS.*Hα-helixtrans-69.3-22.4179.363.20000114.2D179D179-S181 PolarHBondContact O-N 3.05Å; D179-S181 VanDerWaalsContact O-N 3.14Å; D179-S181 PolarHBondContact OD1-OG 2.89Å
182K53.6Low39Very low159 Ų159151.4 Ų151.469%0.69177%0.765SS**Hα-helixtrans-84.1-14.1-177.4-125.9173.2-174.4175.20114.2D179 I180D179-K182 PolarHBondContact O-N 3.08Å; I180-K182 VanDerWaalsContact C-N 3.31Å; I180-K182 PolarHBondContact O-N 2.87Å
183L42.4Very low39.1Very low131 Ų131148.4 Ų148.469%0.68676%0.76SS**Hα-helixtrans-91.8-27.2-179.1-165.664.5000112.6
184E44.4Very low39.4Very low153 Ų153147.3 Ų147.372%0.71576%0.762SS**Hα-helixtrans-79.7-21.6-178.8-164.2171.5-167.600113.3T187E184-T187 PolarHBondContact O-OG1 3.4Å
185Q50.5Low39.7Very low159 Ų159146 Ų14674%0.74377%0.765SS**SBendtrans-81.9-15.4177.4-65.9-177.9-0.700113.5
186Q43.5Very low40.7Very low154 Ų154147.4 Ų147.472%0.7276%0.763SS**SBendtrans-87.1-13.3-179.1-67.5-172.11.100113.7
187T36.9Very low41.3Very low116 Ų116147.1 Ų147.171%0.71277%0.769SS**SBendtrans-93.14.6-174.4550000114.4E184E184-T187 PolarHBondContact O-OG1 3.4Å
188K42.2Very low42.6Very low188 Ų188147.3 Ų147.382%0.81776%0.757SS**SBendtrans-119.611.1-170.9-117.9174.6-173.5171.60118
189M32.7Very low43.9Very low181 Ų181148 Ų14889%0.89276%0.763SS**  trans-13476.1173.6-66.5-156.8177.900112.7
190Q30.6Very low44.8Very low183 Ų183151.3 Ų151.386%0.85577%0.772SS**  trans-142.3113.1149.6-71.1-157.225.200108.9
191T34Very low46.3Very low143 Ų143146.8 Ų146.888%0.87775%0.752SS**  trans-179.3100.3147.234.20000109.1
192K31.4Very low47.3Very low210 Ų210151 Ų15191%0.91378%0.775SS**  trans-150.4152.1151.8-81.4-156.1-178176.10109.4
193P33.3Very low48.3Very low116 Ų116148 Ų14875%0.75377%0.769SS**PPolyproline II helixtrans-87.1164.9-14434.7-35.7000114.7
194P37.3Very low50.1Low130 Ų130143.5 Ų143.584%0.84475%0.746SS**PPolyproline II helixtrans-76.7131.6-175.831-33.7000112.3
195G40.4Very low51.9Low75 Ų75141.5 Ų141.577%0.77374%0.74SS**PPolyproline II helixtrans-71.4145161.800000110.6
196K53.8Low53.1Low197 Ų197144.4 Ų144.486%0.85775%0.751SS**PPolyproline II helixtrans-61.6145-178-67178.8179.2179.50111.6R198K196-R198 PolarHBondContact O-N 3.01Å
197P48.8Very low54.3Low130 Ų130145.4 Ų145.484%0.84475%0.753SS**PPolyproline II helixtrans-70.5129.6172.429.6-32.1000109.9
198R63.9Low55.8Low170 Ų170146.3 Ų146.364%0.64275%0.747SS**PPolyproline II helixtrans-86.1147163.9-68-175.8-179.6174.92.3108.7K196 E214K196-R198 PolarHBondContact O-N 3.01Å; R198-E214 IonicContact NH1-OE2 3.2Å; R198-E214 PolarHBondContact NH1-OE2 3.49Å
199E63.8Low57.9Low189 Ų189142.9 Ų142.988%0.88373%0.732SS**PPolyproline II helixtrans-66.5144.1179.5-67.8-179.9166.200110.7S201E199-S201 PolarHBondContact O-N 3.32Å
200K65.6Low60.3Low193 Ų193137.5 Ų137.584%0.83971%0.707SS**PPolyproline II helixtrans-66.1128.9179.7-63.9178.2-177.6177.60109.3D204K200-D204 WeakPolarHBondContact CA-OD2 3.17Å
201S73.1Confident62.7Low43 Ų43131.3 Ų131.330%0.30168%0.683SS.*PPolyproline II helixtrans-75.5156174.986.10000110.1E199 V203 D204 L210E199-S201 PolarHBondContact O-N 3.32Å; S201-V203 PolarHBondContact O-N 3.26Å; S201-V203 VanDerWaalsContact O-N 3.1Å; S201-V203 PolarHBondContact OG-N 3.2Å; S201-D204 PolarHBondContact N-OD2 2.9Å; S201-D204 WeakPolarHBondContact O-CB 3.39Å; S201-D204 PolarHBondContact O-N 2.86Å; S201-D204 VanDerWaalsContact O-N 3.09Å; S201-D204 PolarHBondContact OG-N 3.46Å; S201-D204 PolarHBondContact OG-OD1 3.14Å; S201-L210 WeakPolarHBondContact OG-CD1 3.37Å
202V72.3Confident65.1Low152 Ų152130.6 Ų130.692%0.92167%0.67SS**THydrogen-bonded Turntrans-62.9-15.6176-179.10000112
203V73.6Confident67.4Low94 Ų94125.6 Ų125.657%0.5765%0.651SS**THydrogen-bonded Turntrans-99.62.3-178.3-165.80000111.4S201 D205 L210S201-V203 PolarHBondContact O-N 3.26Å; S201-V203 VanDerWaalsContact O-N 3.1Å; S201-V203 PolarHBondContact OG-N 3.2Å; V203-D205 PolarHBondContact O-N 2.76Å; V203-D205 VanDerWaalsContact O-N 3.13Å; V203-L210 HydrophobicContact CB-CD1 3.82Å; V203-L210 HydrophobicContact CB-CG 4.49Å; V203-L210 HydrophobicContact CG1-CD1 4.3Å; V203-L210 HydrophobicContact CG2-CD1 4.33Å
204D80.6Confident69.4Low37 Ų37125.1 Ų125.120%0.19864%0.639CS.*  trans-79.893.6177.8-71.2-12.6000110.9K200 S201 F208 K209 L210K200-D204 WeakPolarHBondContact CA-OD2 3.17Å; S201-D204 PolarHBondContact N-OD2 2.9Å; S201-D204 WeakPolarHBondContact O-CB 3.39Å; S201-D204 PolarHBondContact O-N 2.86Å; S201-D204 VanDerWaalsContact O-N 3.09Å; S201-D204 PolarHBondContact OG-N 3.46Å; S201-D204 PolarHBondContact OG-OD1 3.14Å; D204-F208 CarbonylContact C-O 3.53Å; D204-F208 WeakPolarHBondContact CA-O 3.14Å; D204-K209 HydrophobicContact CB-CG 4.48Å; D204-L210 PolarHBondContact OD1-N 3.36Å
205D82.3Confident71.6Confident111 Ų111121.1 Ų121.159%0.59461%0.614SS**  trans-88171.9174.9-76.8-12.9000112.3V203 F207 F208V203-D205 PolarHBondContact O-N 2.76Å; V203-D205 VanDerWaalsContact O-N 3.13Å; D205-F207 PolarHBondContact O-N 3.46Å; D205-F208 PolarHBondContact N-O 3.35Å; D205-F208 PolarHBondContact O-N 2.76Å
206K74.6Confident73.7Confident221 Ų221123.9 Ų123.996%0.96161%0.605SS**SBendtrans-57.1-23.7178.9-68.7-178.4-178.2178.30113.2
207F68.3Low75Confident175 Ų175119.3 Ų119.377%0.76859%0.589SS**SBendtrans-110.9-22.5-176.4-158.2-96.5000114.2D205D205-F207 PolarHBondContact O-N 3.46Å
208F69.4Low76.2Confident135 Ų135119.3 Ų119.359%0.59258%0.578SS**  trans-130.6118.4-178.2-71.1-73.2000110.5D204 D205D204-F208 CarbonylContact C-O 3.53Å; D204-F208 WeakPolarHBondContact CA-O 3.14Å; D205-F208 PolarHBondContact N-O 3.35Å; D205-F208 PolarHBondContact O-N 2.76Å
209K87Confident76.8Confident116 Ų116116.8 Ų116.850%0.50457%0.572SS.*  trans-115.8120.1173.6-66.7172.8-174.6164.60108.3D204 S211 E212 M213D204-K209 HydrophobicContact CB-CG 4.48Å; K209-S211 PolarHBondContact O-N 3.38Å; K209-E212 HydrophobicContact CB-CB 4.21Å; K209-E212 WeakPolarHBondContact O-CB 3.35Å; K209-E212 PolarHBondContact O-N 3.44Å; K209-M213 PolarHBondContact O-N 2.96Å
210L81.8Confident77.5Confident68 Ų68110.7 Ų110.736%0.35655%0.548SS..Hα-helixtrans-59.5-33.6-177.9-79.3176.2000111.9S201 V203 D204 E212 M213 E214S201-L210 WeakPolarHBondContact OG-CD1 3.37Å; V203-L210 HydrophobicContact CB-CD1 3.82Å; V203-L210 HydrophobicContact CB-CG 4.49Å; V203-L210 HydrophobicContact CG1-CD1 4.3Å; V203-L210 HydrophobicContact CG2-CD1 4.33Å; D204-L210 PolarHBondContact OD1-N 3.36Å; L210-E212 PolarHBondContact O-N 2.97Å; L210-M213 HydrophobicContact CD2-SD 4.5Å; L210-M213 PolarHBondContact O-N 3.25Å; L210-E214 PolarHBondContact O-N 3.37Å
211S81.2Confident77.9Confident52 Ų52107.6 Ų107.636%0.36454%0.536SS..Hα-helixtrans-61.8-29.3174.5-63.60000113.5K209 S215K209-S211 PolarHBondContact O-N 3.38Å; S211-S215 WeakPolarHBondContact O-CB 3.49Å; S211-S215 PolarHBondContact O-N 3.03Å; S211-S215 PolarHBondContact O-OG 3.07Å
212E84.1Confident77.8Confident129 Ų129111.9 Ų111.960%0.60355%0.549SS*.Hα-helixtrans-76.5-41.3178.2-172.1167.9-178.400110.8K209 L210 S215 F216K209-E212 HydrophobicContact CB-CB 4.21Å; K209-E212 WeakPolarHBondContact O-CB 3.35Å; K209-E212 PolarHBondContact O-N 3.44Å; L210-E212 PolarHBondContact O-N 2.97Å; E212-S215 PolarHBondContact O-N 3.29Å; E212-S215 PolarHBondContact O-OG 3.3Å; E212-F216 PolarHBondContact O-N 2.79Å; E212-F216 VanDerWaalsContact O-N 3.08Å
213M80.1Confident77.5Confident104 Ų104111.4 Ų111.451%0.51254%0.537SS..Hα-helixtrans-63.6-46.6175.1-175.7-168.7-68.200112.4K209 L210 S215 F216 L217K209-M213 PolarHBondContact O-N 2.96Å; L210-M213 HydrophobicContact CD2-SD 4.5Å; L210-M213 PolarHBondContact O-N 3.25Å; M213-S215 VanDerWaalsContact C-N 3.3Å; M213-S215 PolarHBondContact O-N 2.86Å; M213-F216 WeakPolarHBondContact O-CB 3.37Å; M213-F216 PolarHBondContact O-N 3.21Å; M213-F216 VanDerWaalsContact O-N 3.08Å; M213-L217 HydrophobicContact CG-CD1 4.4Å; M213-L217 PolarHBondContact O-N 3.17Å
214E75.9Confident77Confident106 Ų106113.5 Ų113.550%0.49554%0.541SS..Hα-helixtrans-59.8-42.4176.4-79.9-175.8173.300111.5R198 L210 F216 L217 E218R198-E214 IonicContact NH1-OE2 3.2Å; R198-E214 PolarHBondContact NH1-OE2 3.49Å; L210-E214 PolarHBondContact O-N 3.37Å; E214-F216 PolarHBondContact O-N 3.48Å; E214-L217 PolarHBondContact O-N 2.91Å; E214-E218 PolarHBondContact O-N 3.38Å
215S82.8Confident75.7Confident46 Ų46119.9 Ų119.932%0.32257%0.569SS.*Hα-helixtrans-68.3-20.5178.179.60000113.7S211 E212 M213 K219S211-S215 WeakPolarHBondContact O-CB 3.49Å; S211-S215 PolarHBondContact O-N 3.03Å; S211-S215 PolarHBondContact O-OG 3.07Å; E212-S215 PolarHBondContact O-N 3.29Å; E212-S215 PolarHBondContact O-OG 3.3Å; M213-S215 VanDerWaalsContact C-N 3.3Å; M213-S215 PolarHBondContact O-N 2.86Å; S215-K219 WeakPolarHBondContact O-CD 3.46Å; S215-K219 VanDerWaalsContact O-CG 3.32Å; S215-K219 WeakPolarHBondContact O-CG 3.09Å
216F85.5Confident74.3Confident134 Ų134122 Ų12259%0.58857%0.573SS**Hα-helixtrans-79.9-46173.7179.5-96.9000110.3E212 M213 E214 K219 V220E212-F216 PolarHBondContact O-N 2.79Å; E212-F216 VanDerWaalsContact O-N 3.08Å; M213-F216 WeakPolarHBondContact O-CB 3.37Å; M213-F216 PolarHBondContact O-N 3.21Å; M213-F216 VanDerWaalsContact O-N 3.08Å; E214-F216 PolarHBondContact O-N 3.48Å; F216-K219 WeakPolarHBondContact O-CB 3.4Å; F216-K219 PolarHBondContact O-N 3.37Å; F216-K219 VanDerWaalsContact O-N 3.12Å; F216-V220 HydrophobicContact CD1-CG2 4.26Å; F216-V220 HydrophobicContact CE1-CG2 3.87Å; F216-V220 HydrophobicContact CE2-CG2 4.49Å; F216-V220 HydrophobicContact CZ-CG2 3.99Å; F216-V220 WeakPolarHBondContact O-CG2 3.16Å; F216-V220 PolarHBondContact O-N 2.98Å; F216-V220 VanDerWaalsContact O-N 3.08Å
217L80.6Confident72.9Confident100 Ų100120.5 Ų120.552%0.52456%0.561SS.*Hα-helixtrans-61.6-44.4176.7-68.5172.7000112.3M213 E214 K219 V220 E221M213-L217 HydrophobicContact CG-CD1 4.4Å; M213-L217 PolarHBondContact O-N 3.17Å; E214-L217 PolarHBondContact O-N 2.91Å; L217-K219 PolarHBondContact O-N 2.99Å; L217-K219 VanDerWaalsContact O-N 3.16Å; L217-V220 PolarHBondContact O-N 3.28Å; L217-V220 VanDerWaalsContact O-N 3.12Å; L217-E221 WeakPolarHBondContact O-CB 3.27Å; L217-E221 PolarHBondContact O-N 3.14Å
218E74.4Confident71.6Confident130 Ų130117.3 Ų117.361%0.60756%0.559SS**Hα-helixtrans-60.1-26.6175.3-99.2-176.7175.300113.3E214 K222E214-E218 PolarHBondContact O-N 3.38Å; E218-K222 VanDerWaalsContact O-CB 3.28Å; E218-K222 WeakPolarHBondContact O-CB 3.29Å; E218-K222 PolarHBondContact O-N 3.44Å
219K76.7Confident70.4Confident118 Ų118118.9 Ų118.951%0.51357%0.573SS.*Hα-helixtrans-80.5-39176.4-75.4172.5-170.8164.40111.8S215 F216 L217 E223S215-K219 WeakPolarHBondContact O-CD 3.46Å; S215-K219 VanDerWaalsContact O-CG 3.32Å; S215-K219 WeakPolarHBondContact O-CG 3.09Å; F216-K219 WeakPolarHBondContact O-CB 3.4Å; F216-K219 PolarHBondContact O-N 3.37Å; F216-K219 VanDerWaalsContact O-N 3.12Å; L217-K219 PolarHBondContact O-N 2.99Å; L217-K219 VanDerWaalsContact O-N 3.16Å; K219-E223 WeakPolarHBondContact O-CB 3.45Å; K219-E223 PolarHBondContact O-N 3.41Å; K219-E223 VanDerWaalsContact O-N 3.14Å
220V78.6Confident67.9Low61 Ų61120.2 Ų120.237%0.3759%0.585SS.*Hα-helixtrans-67.7-47.9178.4173.90000110.2F216 L217 K222 E223 E224F216-V220 HydrophobicContact CD1-CG2 4.26Å; F216-V220 HydrophobicContact CE1-CG2 3.87Å; F216-V220 HydrophobicContact CE2-CG2 4.49Å; F216-V220 HydrophobicContact CZ-CG2 3.99Å; F216-V220 WeakPolarHBondContact O-CG2 3.16Å; F216-V220 PolarHBondContact O-N 2.98Å; F216-V220 VanDerWaalsContact O-N 3.08Å; L217-V220 PolarHBondContact O-N 3.28Å; L217-V220 VanDerWaalsContact O-N 3.12Å; V220-K222 VanDerWaalsContact C-N 3.26Å; V220-K222 PolarHBondContact O-N 3.21Å; V220-E223 WeakPolarHBondContact O-CA 3.45Å; V220-E223 WeakPolarHBondContact O-CB 3.17Å; V220-E223 PolarHBondContact O-N 2.9Å; V220-E224 PolarHBondContact O-N 3.5Å
221E72.8Confident65.7Low127 Ų127126.1 Ų126.159%0.59361%0.611SS**Hα-helixtrans-58.9-39.1178.2-171.7176.1-157.300111.4L217 E223 E224 E225L217-E221 WeakPolarHBondContact O-CB 3.27Å; L217-E221 PolarHBondContact O-N 3.14Å; E221-E223 VanDerWaalsContact C-N 3.3Å; E221-E223 PolarHBondContact O-N 3.48Å; E221-E224 PolarHBondContact O-N 3.39Å; E221-E225 WeakPolarHBondContact O-CB 3.38Å; E221-E225 PolarHBondContact O-N 3.03Å
222K71.8Confident63.6Low133 Ų133133.1 Ų133.158%0.57864%0.638SS**Hα-helixtrans-73.7-18.6176.6-168.1170.6-171.1165.60114.4E218 V220 K226E218-K222 VanDerWaalsContact O-CB 3.28Å; E218-K222 WeakPolarHBondContact O-CB 3.29Å; E218-K222 PolarHBondContact O-N 3.44Å; V220-K222 VanDerWaalsContact C-N 3.26Å; V220-K222 PolarHBondContact O-N 3.21Å; K222-K226 WeakPolarHBondContact O-CG 3.3Å
223E65.5Low61.1Low142 Ų142135.3 Ų135.366%0.66465%0.649SS**Hα-helixtrans-86.6-30.5174.1-168.3161.2-164.200110.8K219 V220 E221K219-E223 WeakPolarHBondContact O-CB 3.45Å; K219-E223 PolarHBondContact O-N 3.41Å; K219-E223 VanDerWaalsContact O-N 3.14Å; V220-E223 WeakPolarHBondContact O-CA 3.45Å; V220-E223 WeakPolarHBondContact O-CB 3.17Å; V220-E223 PolarHBondContact O-N 2.9Å; E221-E223 VanDerWaalsContact C-N 3.3Å; E221-E223 PolarHBondContact O-N 3.48Å
224E63.3Low59.2Low139 Ų139139.7 Ų139.765%0.6567%0.668SS**Hα-helixtrans-74-42.9173.4-157.4167.1-155.300111.9V220 E221 K226 R227V220-E224 PolarHBondContact O-N 3.5Å; E221-E224 PolarHBondContact O-N 3.39Å; E224-K226 PolarHBondContact O-N 3.46Å; E224-R227 PolarHBondContact O-N 2.88Å; E224-R227 VanDerWaalsContact O-N 3.11Å
225E53.4Low57.3Low170 Ų170142.7 Ų142.779%0.79468%0.682SS**THydrogen-bonded Turntrans-62.2-8.8174.6-123.9-175.8-177.500114.2E221E221-E225 WeakPolarHBondContact O-CB 3.38Å; E221-E225 PolarHBondContact O-N 3.03Å
226K53.2Low55.4Low157 Ų157149.7 Ų149.768%0.68371%0.709SS**THydrogen-bonded Turntrans-103.91.1179.8-76.8-178179.7-179.60114.3K222 E224 P228K222-K226 WeakPolarHBondContact O-CG 3.3Å; E224-K226 PolarHBondContact O-N 3.46Å; K226-P228 WeakPolarHBondContact O-CD 2.98Å
227R44.3Very low53.2Low188 Ų188149 Ų14971%0.70971%0.711SS**SBendtrans-82.7114.5168.2-66-83.7-175.9160.52.2107.6E224E224-R227 PolarHBondContact O-N 2.88Å; E224-R227 VanDerWaalsContact O-N 3.11Å
228P40.7Very low51.5Low109 Ų109150 Ų15071%0.70872%0.717SS**  trans-70.8139.9169.728.9-30.7000109.9K226 D230K226-P228 WeakPolarHBondContact O-CD 2.98Å; P228-D230 PolarHBondContact O-N 3.03Å
229D43.9Very low50.5Low167 Ų167152 Ų15289%0.89372%0.724SS**  trans-61.2109.4165.5-82.7-30.4000108.9
230D36Very low49Very low144 Ų144155.2 Ų155.277%0.7774%0.738SS**  trans-149.4106.6160.3-84.4-39.8000107.9P228P228-D230 PolarHBondContact O-N 3.03Å
231E34.7Very low47.5Very low192 Ų192160.4 Ų160.490%0.89776%0.758SS**  trans30.3119.7153.6-65.2171.4179.400120E233E231-E233 PolarHBondContact O-N 3.17Å
232E36.5Very low46.1Very low199 Ų199161.7 Ų161.793%0.9377%0.769SS**  trans-73.9103.7177.1-65.1174.2161.200111.3
233E33.1Very low44.7Very low176 Ų176163.1 Ų163.182%0.82278%0.781SS**  trans-95.3118.7150.6-79.7-177.2170.100107.8E231 E235E231-E233 PolarHBondContact O-N 3.17Å; E233-E235 VanDerWaalsContact C-N 3.3Å; E233-E235 PolarHBondContact O-N 3.39Å
234E40.7Very low43.3Very low195 Ų195163.9 Ų163.991%0.91179%0.79SS**  trans-66.787.7169.4-65.7-172.2157.300109.7E236E234-E236 PolarHBondContact O-N 3.31Å
235E34.6Very low42.6Very low169 Ų169162.2 Ų162.279%0.7979%0.793SS**  trans-73.5103.5162.6-78-171.1163.300109E233 I237E233-E235 VanDerWaalsContact C-N 3.3Å; E233-E235 PolarHBondContact O-N 3.39Å; E235-I237 PolarHBondContact O-N 3.09Å
236E43.6Very low42Very low193 Ų193160.6 Ų160.690%0.90279%0.79SS**  trans-45.3104.7161.2-157.8173.4-150.700109.6E234 D238E234-E236 PolarHBondContact O-N 3.31Å; E236-D238 PolarHBondContact O-N 3.44Å
237I38.2Very low41.4Very low121 Ų121161.9 Ų161.962%0.62180%0.799SS**  trans-66.4106.9178.8-61.4168.3000108.1E235 F239E235-I237 PolarHBondContact O-N 3.09Å; I237-F239 HydrophobicContact CB-CD2 4.38Å; I237-F239 HydrophobicContact CB-CE2 3.89Å; I237-F239 HydrophobicContact CB-CZ 4.11Å; I237-F239 HydrophobicContact CG2-CD1 4.23Å; I237-F239 HydrophobicContact CG2-CD2 4.14Å; I237-F239 HydrophobicContact CG2-CE1 4.01Å; I237-F239 HydrophobicContact CG2-CE2 3.9Å; I237-F239 HydrophobicContact CG2-CG 4.3Å; I237-F239 HydrophobicContact CG2-CZ 3.83Å; I237-F239 WeakPolarHBondContact O-CD2 3.48Å; I237-F239 WeakPolarHBondContact O-CE2 3.32Å; I237-F239 PolarHBondContact O-N 2.86Å
238D46.2Very low41.1Very low120 Ų120159.7 Ų159.764%0.64280%0.801SS**  trans-72.694.4172.3-168.1-3.3000110E236 F240E236-D238 PolarHBondContact O-N 3.44Å; D238-F240 PolarHBondContact O-N 3.36Å; D238-F240 PolarHBondContact OD1-N 2.92Å
239F52.9Low41.1Very low173 Ų173164 Ų16476%0.75981%0.812SS**THydrogen-bonded Turntrans-66.54.1-178.7-71.3-85.4000114.7I237I237-F239 HydrophobicContact CB-CD2 4.38Å; I237-F239 HydrophobicContact CB-CE2 3.89Å; I237-F239 HydrophobicContact CB-CZ 4.11Å; I237-F239 HydrophobicContact CG2-CD1 4.23Å; I237-F239 HydrophobicContact CG2-CD2 4.14Å; I237-F239 HydrophobicContact CG2-CE1 4.01Å; I237-F239 HydrophobicContact CG2-CE2 3.9Å; I237-F239 HydrophobicContact CG2-CG 4.3Å; I237-F239 HydrophobicContact CG2-CZ 3.83Å; I237-F239 WeakPolarHBondContact O-CD2 3.48Å; I237-F239 WeakPolarHBondContact O-CE2 3.32Å; I237-F239 PolarHBondContact O-N 2.86Å
240F46.1Very low40.6Very low185 Ų185159.6 Ų159.681%0.81181%0.806SS**THydrogen-bonded Turntrans-115.99.9-175.1-81.6-85.9000115.9D238 D242D238-F240 PolarHBondContact O-N 3.36Å; D238-F240 PolarHBondContact OD1-N 2.92Å; F240-D242 PolarHBondContact O-N 2.92Å
241E47.1Very low40.5Very low169 Ų169156.1 Ų156.179%0.7981%0.805SS**  trans-77.5114.2171.6-151171.5-160.100111.1I243E241-I243 PolarHBondContact O-N 2.99Å
242D42.1Very low40.6Very low155 Ų155153.8 Ų153.883%0.82980%0.798SS**  trans-59.4106.3179.1-78.8-39.4000110.9F240 D244F240-D242 PolarHBondContact O-N 2.92Å; D242-D244 PolarHBondContact O-N 3.14Å
243I41.6Very low40.3Very low163 Ų163154 Ų15484%0.83680%0.795SS**  trans-61.4102.8169.7-72.6166000109.5E241 S245E241-I243 PolarHBondContact O-N 2.99Å; I243-S245 PolarHBondContact O-N 3.39Å; I243-S245 VanDerWaalsContact O-N 3.11Å
244D36.5Very low40.3Very low157 Ų157149.7 Ų149.784%0.8480%0.799SS**  trans-66.2102.5166.3-90-30.1000109.7D242 D246D242-D244 PolarHBondContact O-N 3.14Å; D244-D246 PolarHBondContact O-N 2.9Å
245S49.5Very low40.1Very low104 Ų104151.8 Ų151.873%0.72780%0.798SS**  trans-75.1100.9173.1-1770000111.5I243I243-S245 PolarHBondContact O-N 3.39Å; I243-S245 VanDerWaalsContact O-N 3.11Å
246D39.7Very low40Very low136 Ų136151.9 Ų151.973%0.72780%0.799SS**  172.5102.3124.5-95-3.5000113.2D244D244-D246 PolarHBondContact O-N 2.9Å
247E41.3Very low39.6Very low185 Ų185152.4 Ų152.486%0.86480%0.798SS**  trans60.1138.9140.9-69-17516000121.9
248D37.5Very low39.4Very low142 Ų142154.4 Ų154.476%0.75981%0.808SS**  cis-176.8129-7.5-177.717.5000107.3
249E41.8Very low38.9Very low198 Ų198157.6 Ų157.693%0.92582%0.816SS**  trans161.2111.9151.1-106.1-167.7165.500108.3
250G32.9Very low38.6Very low75 Ų75155.4 Ų155.477%0.77382%0.822SS**  cis175.1151.7-5.200000110.2
251G33.3Very low38.2Very low72 Ų72151.7 Ų151.774%0.74282%0.819SS**  trans131.941.3149.200000121.7
252L37.4Very low38Very low143 Ų143152.5 Ų152.575%0.74982%0.82SS**SBendtrans-152137.1153.9-110.1119.5000110
253F31Very low38.1Very low202 Ų202149.1 Ų149.189%0.88681%0.809SS**  trans89.675-169.5-60.4-78000117.2R255F253-R255 PolarHBondContact O-N 3.04Å; F253-R255 VanDerWaalsContact O-N 3.13Å
254G32.3Very low38.7Very low86 Ų86146.5 Ų146.589%0.88781%0.805SS**  trans-77.282.2164.800000113.1Q256G254-Q256 PolarHBondContact O-N 3.1Å
255R36.1Very low39.6Very low240 Ų240149.8 Ų149.891%0.90681%0.806SS**  trans-73.4116.1160.7-89.8-175.4161-140.9-3.2109.7F253 K257F253-R255 PolarHBondContact O-N 3.04Å; F253-R255 VanDerWaalsContact O-N 3.13Å; R255-K257 PolarHBondContact O-N 3.33Å
256Q33Very low39.7Very low170 Ų170151.2 Ų151.279%0.79481%0.805SS**  trans-57.9131168.7-82.4-176.7-64.700110.6G254 I258G254-Q256 PolarHBondContact O-N 3.1Å; Q256-I258 PolarHBondContact O-N 3.43Å
257K34Very low41.1Very low204 Ų204150.8 Ų150.889%0.88780%0.802SS**  trans-53.2111.8178.7-63.3179.7178.7179.70112R255R255-K257 PolarHBondContact O-N 3.33Å
258I36Very low42.8Very low163 Ų163150 Ų15084%0.83680%0.796SS**  trans-77.7121.9154.1-62.9171.1000106.5Q256 S260Q256-I258 PolarHBondContact O-N 3.43Å; I258-S260 PolarHBondContact O-N 3.05Å
259K34.8Very low43.7Very low188 Ų188152 Ų15282%0.81779%0.794SS**  trans-54.9134179.1-65.2172.8-178.8173.30109.4S261K259-S261 PolarHBondContact O-N 3.01Å
260S46.2Very low44.7Very low126 Ų126151.3 Ų151.388%0.88179%0.788SS**  trans-56.2102.3-179.855.30000111.6I258I258-S260 PolarHBondContact O-N 3.05Å
261S37.2Very low46.5Very low107 Ų107152.9 Ų152.975%0.74878%0.778SS**  trans-94.4106.5167.4173.70000108.6K259K259-S261 PolarHBondContact O-N 3.01Å
262K43.6Very low48.4Very low187 Ų187157.9 Ų157.981%0.81378%0.78SS**  trans29.5118.1151.1-62.2168-175.7164.50117.5
263S44Very low50.2Low84 Ų84156.8 Ų156.859%0.58777%0.77SS**  trans-22.5126.3166.1-177.50000115R265 N266S263-R265 PolarHBondContact O-N 3.5Å; S263-N266 PolarHBondContact O-N 3.38Å
264S54.6Low51.5Low108 Ų108154.5 Ų154.576%0.75577%0.767SS**THydrogen-bonded Turntrans-57.3-2.3177.541.20000115.2
265R55.2Low52.7Low226 Ų226155.5 Ų155.585%0.85376%0.757SS**THydrogen-bonded Turntrans-87.6-5.8179.8-140.5166167.894.9-1.9114S263S263-R265 PolarHBondContact O-N 3.5Å
266N51.2Low53.4Low133 Ų133150.9 Ų150.971%0.71176%0.756SS**SBendtrans-113.911.3-178.2-82.2-16.8000115S263S263-N266 PolarHBondContact O-N 3.38Å
267L69.9Low53.8Low128 Ų128151.5 Ų151.567%0.6776%0.758SS**  trans-78.4121.7175.4-66.8164.3000109.3D271L267-D271 HydrophobicContact CD2-CB 4.47Å
268K76.6Confident54Low167 Ų167146.6 Ų146.673%0.72675%0.75SS**  trans-101.9158.4171.8-68.6-169.7-179.9-175.90109.5K270 D271K268-K270 PolarHBondContact O-N 3.12Å; K268-D271 PolarHBondContact N-OD2 3.47Å; K268-D271 WeakPolarHBondContact O-CB 3.33Å; K268-D271 PolarHBondContact O-N 2.67Å
269Y57.4Low54.2Low184 Ų184146.3 Ų146.372%0.72275%0.75SS**G310 helixtrans-52.8-23.1-178-168.4-101.1000114.7D271 F272 F273Y269-D271 VanDerWaalsContact C-N 3.35Å; Y269-F272 PolarHBondContact O-N 2.99Å; Y269-F273 HydrophobicContact CD1-CD2 4.48Å; Y269-F273 HydrophobicContact CE1-CD2 4.05Å; Y269-F273 AromaticContact CE1-CE2 3.95Å; Y269-F273 HydrophobicContact CE1-CE2 3.95Å; Y269-F273 AromaticContact CE2-CE2 3.84Å; Y269-F273 HydrophobicContact CE2-CE2 3.84Å; Y269-F273 AromaticContact CZ-CE2 3.5Å
270K62.6Low54.2Low184 Ų184145 Ų14580%0.875%0.752SS**G310 helixtrans-74.9-18.3176.3-63.9-173.6176.1-175.30114.3K268 F272K268-K270 PolarHBondContact O-N 3.12Å; K270-F272 VanDerWaalsContact C-N 3.31Å
271D69.7Low53.8Low108 Ų108146.2 Ų146.258%0.57875%0.749SS**G310 helixtrans-83.7-11.4176.4-58.5-41.5000112.2L267 K268 Y269L267-D271 HydrophobicContact CD2-CB 4.47Å; K268-D271 PolarHBondContact N-OD2 3.47Å; K268-D271 WeakPolarHBondContact O-CB 3.33Å; K268-D271 PolarHBondContact O-N 2.67Å; Y269-D271 VanDerWaalsContact C-N 3.35Å
272F73.6Confident53.5Low178 Ų178149 Ų14978%0.78175%0.753SS**SBendtrans-92.1-17.8-179-137.4-95.2000112.9Y269 K270Y269-F272 PolarHBondContact O-N 2.99Å; K270-F272 VanDerWaalsContact C-N 3.31Å
273F75.2Confident53.1Low120 Ų120144.3 Ų144.353%0.52675%0.75SS.*SBendtrans-126.6111.4179.5-66.7-85.3000109.2Y269Y269-F273 HydrophobicContact CD1-CD2 4.48Å; Y269-F273 HydrophobicContact CE1-CD2 4.05Å; Y269-F273 AromaticContact CE1-CE2 3.95Å; Y269-F273 HydrophobicContact CE1-CE2 3.95Å; Y269-F273 AromaticContact CE2-CE2 3.84Å; Y269-F273 HydrophobicContact CE2-CE2 3.84Å; Y269-F273 AromaticContact CZ-CE2 3.5Å
274N58.8Low52.6Low153 Ų153145.7 Ų145.782%0.81876%0.759SS**  trans-59.7130.8168.7-82.9-13.8000108.6V276N274-V276 PolarHBondContact O-N 2.66Å
275P57.3Low51.6Low107 Ų107146.9 Ų146.970%0.69576%0.762SS**  trans-57.9133.9171.724.5-30.9000108.5E277P275-E277 PolarHBondContact O-N 3.46Å
276V50.7Low50.5Low144 Ų144141.3 Ų141.387%0.87375%0.753SS**  trans-61.2106175.9177.80000107.2N274 S278N274-V276 PolarHBondContact O-N 2.66Å; V276-S278 PolarHBondContact O-N 3.16Å
277E40.9Very low49.7Very low182 Ų182145 Ų14585%0.8576%0.758SS**  trans-69.8107.2167.4-74.9179.9162.600107.2P275P275-E277 PolarHBondContact O-N 3.46Å
278S39.3Very low47.8Very low102 Ų102146 Ų14671%0.71376%0.764SS**  trans-65.1122.6156.5510000107.7V276 D280V276-S278 PolarHBondContact O-N 3.16Å; S278-D280 PolarHBondContact O-N 3.12Å; S278-D280 VanDerWaalsContact O-N 3.14Å
279D39Very low45.6Very low156 Ų156143.7 Ų143.783%0.83476%0.76SS**  trans-50.5115.4169.2-77.7-35.8000109.8
280D35.5Very low44.5Very low161 Ų161142.1 Ų142.186%0.86176%0.763SS**  trans-158.5125.5148.8-89.9-36.4000109.7S278S278-D280 PolarHBondContact O-N 3.12Å; S278-D280 VanDerWaalsContact O-N 3.14Å
281D36.8Very low42.8Very low152 Ų152136.5 Ų136.581%0.81376%0.758SS**  trans-64.6162.4-177.3-66.8-63.7000114.5
282I31.7Very low40.8Very low164 Ų164136.5 Ų136.584%0.84177%0.766SS**  trans125.2112.9142.7-59.5156000116.5
283A34.7Very low38.5Very low90 Ų90134.7 Ų134.774%0.74476%0.764SS**  trans10.3131.2146.800000122.5
284S34Very low36.4Very low112 Ų112136.7 Ų136.778%0.78377%0.773SS**  174.9115.4118.157.20000110.3
285V33.8Very low34.8Very low133 Ų133136.6 Ų136.681%0.80677%0.768SS**  59.297.393.8-166.60000116.7
286V32.7Very low33.5Very low110 Ų110138.9 Ų138.967%0.66777%0.769SS**  trans56.2143.2132.7-158.60000122.8
287Y33Very low32.4Very low211 Ų211139 Ų13983%0.82776%0.76SS**  trans102.8103.5160.5-63.9-75.1000114.7
288D30.7Very low31.5Very low148 Ų148138.6 Ų138.679%0.79176%0.756SS**  85.8144.572.2-163.130.1000112.5
289D30.9Very low30.9Very low119 Ų119136.6 Ų136.664%0.63675%0.745SS**  trans107.3120.9155.1-148.247.7000120.3
290L32.9Very low30.4Very low151 Ų151136.4 Ų136.479%0.79174%0.739SS**  trans34.5130.4146.1-66.3166.2000119.2
291G27.7Very low30.1Very low66 Ų66136.4 Ų136.468%0.6873%0.734SS**  cis108.2122.445.900000110.2
292S28.4Very low29.7Very low107 Ų107132.6 Ų132.675%0.74872%0.724SS**  trans86.2130153.4-155.40000120.6
293N25.7Very low29.5Very low140 Ų140133 Ų13375%0.74972%0.722SS**  trans63.8154.8146.4-88.9-6.9000118.1
294K29.8Very low29.2Very low163 Ų163136 Ų13671%0.70972%0.721SS**  cis179.1-174.8-12.8-172.3171.4-176.7-171.60102.8
295E26.2Very low28.9Very low151 Ų151134.8 Ų134.871%0.70671%0.713SS**  trans94.8107.9162.8-65177.1-165.700112.9
296E28.9Very low28.7Very low155 Ų155136.3 Ų136.372%0.72471%0.714SS**  73.814580.7-80.2177.3-173.500108.9
297E27Very low28.3Very low146 Ų146136.3 Ų136.368%0.68272%0.719SS**  cis-174.3170.4-5.7-126.4-173.4172.300102.6
298F22.3Very low28.1Very low174 Ų174135.1 Ų135.176%0.76372%0.721SS**  trans69.4143152.9-102.1-115.1000117.2
299A27.6Very low28Very low60 Ų60135.8 Ų135.850%0.49672%0.722SS.*  cis-177.7162.5-8.900000106.3
300E29Very low27.8Very low152 Ų152136.3 Ų136.371%0.7172%0.724SS**  trans51.3140.6135.5-67.3177.9-172.900118.2
301E27.5Very low27.7Very low160 Ų160138.2 Ų138.275%0.74873%0.729SS**  cis-177.2164.818.7-126.1177.1-176.900107.5
302A29.3Very low27.8Very low72 Ų72143 Ų14360%0.59574%0.739SS**  trans65.1114.3138.300000120.3
303E28.5Very low27.9Very low172 Ų172144.5 Ų144.580%0.80474%0.739SS**  82.6149.295.2-72.2-154.8-171.700112.3
304E27.5Very low28.2Very low153 Ų153145.4 Ų145.472%0.71574%0.743SS**  cis-174168-14.9-112.3-160.2172.300104.1
305S28.4Very low28.2Very low88 Ų88144.5 Ų144.562%0.61575%0.746SS**  trans76.6112.5149.1-73.60000120.2
306I28.1Very low28.4Very low165 Ų165145.8 Ų145.885%0.84675%0.752SS**  100.1135.693.2-135.7163.8000109.3
307S25.7Very low28.5Very low109 Ų109146.6 Ų146.676%0.76276%0.755SS**  cis-163.9168.538.9550000113
308E28.7Very low28.5Very low186 Ų186144.2 Ų144.287%0.86976%0.755SS**  trans-48154.1172-57.2179145.800117.5
309M28.3Very low28.8Very low163 Ų163145 Ų14580%0.80376%0.761SS**  172.4128.3108.3-168.6149.2166.900112.1
310D26.9Very low28.9Very low129 Ų129146 Ų14669%0.6978%0.778SS**  trans32.1124154.8-57.4-31.7000121.7
311E29.3Very low28.9Very low191 Ų191142.3 Ų142.389%0.89378%0.781SS**  178.4128.294.5-93.4-174.6167.100110
312D30.2Very low29Very low167 Ų167142.8 Ų142.889%0.89378%0.783SS**  trans-59.2137.7172.1-64.5-53.8000111.6
313N30Very low29Very low139 Ų139146.3 Ų146.374%0.74379%0.787SS**  trans-152.898.4143.4-155.225.8000111.4
314D32.6Very low29.1Very low158 Ų158144.8 Ų144.885%0.84578%0.783SS**  trans-78.6131.9162.7-136.9-1000107.8
315L30.7Very low29.3Very low145 Ų145147.2 Ų147.276%0.75979%0.791SS**  trans-141.199172.2-101.4167.2000110
316E29.8Very low29.6Very low177 Ų177151.9 Ų151.983%0.82780%0.804SS**  trans-112.1132.6147.7-97.5-161.4-173.300110.2
317E30.1Very low29.8Very low172 Ų172147.2 Ų147.280%0.80480%0.796SS**  trans41.5114.7140.1-114.6179.4177.800122.1
318S27.9Very low30.4Very low97 Ų97147.2 Ų147.268%0.67880%0.796SS**  129.8134.5103.9-157.50000116.7
319E29.7Very low31Very low189 Ų189147.5 Ų147.588%0.88379%0.794SS**  trans60.9117.9156.8-81.9-172162.300122.4
320G27.9Very low31.7Very low82 Ų82151 Ų15185%0.84580%0.799SS**  108.9113.5116.600000117.4
321G29.1Very low32.3Very low75 Ų75150.7 Ų150.777%0.77380%0.801SS**  trans101.6100.1139.600000118.6
322E30.1Very low32.7Very low170 Ų170148 Ų14879%0.79480%0.798SS**  trans65.9124131.7-70.5-159.8125.100123.1
323Q29.7Very low32.9Very low146 Ų146148.6 Ų148.668%0.68279%0.793SS**  trans88.6120.5133.8-73-179.32700121.3
324L30.5Very low33.5Very low139 Ų139146.6 Ų146.673%0.72880%0.796SS**  trans76.9110141.8-65.4162.8000118.8
325K32.3Very low33.8Very low204 Ų204145.8 Ų145.889%0.88779%0.791SS**  -162113.3112.5-61.6-156.1-179.9170.40107.1
326E33.1Very low34.5Very low187 Ų187144.5 Ų144.587%0.87479%0.791SS**  49.3116.168-156.9167-153.200115.9
327G34.2Very low34.9Very low66 Ų66144.3 Ų144.368%0.6879%0.79SS**  trans107122.8153.200000114
328S36.7Very low35.2Very low109 Ų109143.8 Ų143.876%0.76279%0.793SS**  cis-171.4138.95.1-69.80000105.9
329K42.8Very low35.9Very low193 Ų193147.7 Ų147.784%0.83980%0.8SS**  trans177.2107.4138.4-94.3150.9-167.8178.70112
330R41.6Very low36.3Very low236 Ų236143 Ų14389%0.89179%0.794SS**  trans58.696.8135.7-56.7-175.1-173.7-173.21.2117.4T332R330-T332 PolarHBondContact O-N 3.4Å
331V39.9Very low36.8Very low123 Ų123148 Ų14875%0.74580%0.795SS**  trans-54117.1160.7178.60000110.6F333V331-F333 HydrophobicContact CG1-CD2 3.53Å; V331-F333 HydrophobicContact CG1-CE2 3.93Å
332T36.8Very low37Very low133 Ų133152.2 Ų152.282%0.81680%0.8SS**  trans-118.6111152.728.90000105.7R330 A334R330-T332 PolarHBondContact O-N 3.4Å; T332-A334 PolarHBondContact O-N 3.06Å
333F34.9Very low37.6Very low180 Ų180150 Ų15079%0.78980%0.798SS**  trans-70.4106.8175-103.9-94.5000108V331 L335V331-F333 HydrophobicContact CG1-CD2 3.53Å; V331-F333 HydrophobicContact CG1-CE2 3.93Å; F333-L335 HydrophobicContact CD1-CD1 4.42Å
334A42.6Very low38Very low98 Ų98148.5 Ų148.581%0.8180%0.804SS**  trans-110.198.7159.400000106.9T332T332-A334 PolarHBondContact O-N 3.06Å
335L38.7Very low38.6Very low140 Ų140147.8 Ų147.873%0.73381%0.808SS**  trans-79.7138.7165.7-92.8158.9000108.1F333 E337F333-L335 HydrophobicContact CD1-CD1 4.42Å; L335-E337 PolarHBondContact O-N 3.23Å
336P46.9Very low39.1Very low118 Ų118146.5 Ų146.577%0.76681%0.81SS**  trans-63.3130.3177.5-20.332.4000112.1
337E37.8Very low39.3Very low174 Ų174142.3 Ų142.381%0.81381%0.807SS**  trans-92.4111170.4-175.3168.8-145.700106.5L335L335-E337 PolarHBondContact O-N 3.23Å
338D36.7Very low39.5Very low161 Ų161145.2 Ų145.286%0.86181%0.811SS**  trans-116.895.9165.6-87.4-33.9000107.5
339E41.1Very low39.7Very low179 Ų179150 Ų15084%0.83682%0.818SS**  trans-92.4121.5156.5-82.4-162.3156.400109.3
340A39.6Very low39.5Very low90 Ų90149.1 Ų149.174%0.74482%0.817SS**  trans18.8128145.600000121
341E37.6Very low39.4Very low187 Ų187146.9 Ų146.987%0.87482%0.816SS**  162.5114.297.6-85.3-164.4162.900109.7
342D33.4Very low39.5Very low164 Ų164146.5 Ų146.588%0.87782%0.819SS**  trans-141.8135.3150-113.2-26.2000109.2
343T42.9Very low40.1Very low122 Ų122147 Ų14775%0.74882%0.817SS**  trans-74.2149.5-154.851.80000115.8
344S37.6Very low41.4Very low115 Ų115146.6 Ų146.680%0.80482%0.818SS**  trans84.4135.4170.383.40000115.5
345P42.8Very low42.6Very low125 Ų125148.9 Ų148.981%0.81282%0.821SS**  cis-141.1175.945.836.3-14.8000116.3
346L42.5Very low44.5Very low177 Ų177145.4 Ų145.493%0.92780%0.8SS**  trans-46.1145.9165.6-71.9152.7000113.7
347A37.5Very low46.4Very low98 Ų98143 Ų14381%0.8179%0.786SS**  trans114.589.5154.100000115.5K349A347-K349 PolarHBondContact O-N 2.89Å
348V39.3Very low48.7Very low127 Ų127139.7 Ų139.777%0.7778%0.782SS**  trans-52.4120.5164.1177.90000110.8Q350V348-Q350 HydrophobicContact CG1-CG 3.88Å
349K40.2Very low51.2Low209 Ų209138.9 Ų138.991%0.90977%0.771SS**  trans-123.1115.4146-80.4-174.1177.6177.10107.6A347A347-K349 PolarHBondContact O-N 2.89Å
350Q39.9Very low53.5Low175 Ų175134.4 Ų134.482%0.81875%0.75SS**  trans-75.6126.9176.8-67.1176.9-32.800109.5V348V348-Q350 HydrophobicContact CG1-CG 3.88Å
351E38Very low55.8Low189 Ų189135.3 Ų135.388%0.88374%0.738SS**  trans-135.2141.6144.5-70.5-160.5176.800108.3
352S42.8Very low58.4Low115 Ų115135.1 Ų135.180%0.80473%0.729SS**  trans-85.1114-171490000111.3E354S352-E354 PolarHBondContact O-N 2.87Å
353D49.1Very low61.2Low145 Ų145131.9 Ų131.978%0.77571%0.708SS**  trans-88.4108.1176.9-78.6-32.6000112.1
354E61.7Low63.6Low170 Ų170129 Ų12979%0.79469%0.687SS**  trans-67.4145.6157.2-68.4-179.5162.400109.7S352 K356S352-E354 PolarHBondContact O-N 2.87Å; E354-K356 PolarHBondContact O-N 2.83Å
355V68.6Low66.3Low146 Ų146130.7 Ų130.789%0.88568%0.679SS**  trans-71.789.1-179.6-1760000110
356K78.3Confident68.8Low68 Ų68129.4 Ų129.430%0.29666%0.664SS.*  trans-63.7147.8179.8-59.6-178.9-166.81740113E354 E360 K361 E364E354-K356 PolarHBondContact O-N 2.83Å; K356-E360 HydrophobicContact CB-CB 4.38Å; K356-E360 HydrophobicContact CB-CG 4.18Å; K356-E360 HydrophobicContact CD-CG 4.37Å; K356-K361 HydrophobicContact CB-CG 4.07Å; K356-K361 WeakPolarHBondContact O-CE 3.32Å; K356-E364 VanDerWaalsContact CD-OE1 3.27Å; K356-E364 WeakPolarHBondContact CD-OE1 3.49Å; K356-E364 VanDerWaalsContact CD-OE2 3.24Å; K356-E364 WeakPolarHBondContact CD-OE2 3.2Å; K356-E364 WeakPolarHBondContact CE-OE1 3.4Å; K356-E364 IonicContact NZ-OE1 2.57Å; K356-E364 PolarHBondContact NZ-OE1 3.05Å; K356-E364 IonicContact NZ-OE2 2.79Å; K356-E364 PolarHBondContact NZ-OE2 3.45Å
357S86.8Confident71.3Confident68 Ų68125.1 Ų125.148%0.47664%0.642SS.*  trans-64.8154.7178.5178.70000112.3F359 E360 K361S357-F359 PolarHBondContact O-N 3.14Å; S357-E360 PolarHBondContact N-OE2 3.37Å; S357-E360 WeakPolarHBondContact O-CB 3.35Å; S357-E360 PolarHBondContact O-N 3.44Å; S357-K361 PolarHBondContact O-N 3.06Å
358S85.6Confident74.1Confident103 Ų103126.6 Ų126.672%0.7263%0.632SS**Hα-helixtrans-60.2-34.3178.761.90000112.9R362S358-R362 PolarHBondContact O-N 3.1Å
359F89.7Confident76.8Confident144 Ų144126.7 Ų126.763%0.63262%0.622SS**Hα-helixtrans-68.8-41.1173.9179.7-99.4000111.7S357 R362 Q363S357-F359 PolarHBondContact O-N 3.14Å; F359-R362 CarbonylContact O-C 3.57Å; F359-R362 WeakPolarHBondContact O-CB 3.22Å; F359-R362 PolarHBondContact O-N 3.28Å; F359-Q363 WeakPolarHBondContact O-CB 3.43Å; F359-Q363 PolarHBondContact O-N 3.3Å
360E89.3Confident79.5Confident85 Ų85120.1 Ų120.140%0.39760%0.596SS.*Hα-helixtrans-67.5-43.6-179.9-172.9170.2-155.200111.3K356 S357 R362 Q363 E364K356-E360 HydrophobicContact CB-CB 4.38Å; K356-E360 HydrophobicContact CB-CG 4.18Å; K356-E360 HydrophobicContact CD-CG 4.37Å; S357-E360 PolarHBondContact N-OE2 3.37Å; S357-E360 WeakPolarHBondContact O-CB 3.35Å; S357-E360 PolarHBondContact O-N 3.44Å; E360-R362 VanDerWaalsContact C-N 3.25Å; E360-R362 PolarHBondContact O-N 3.05Å; E360-Q363 CarbonylContact O-C 3.57Å; E360-Q363 WeakPolarHBondContact O-CB 3.48Å; E360-Q363 PolarHBondContact O-N 3Å; E360-Q363 VanDerWaalsContact O-N 3.08Å; E360-E364 WeakPolarHBondContact O-CG 3.39Å; E360-E364 PolarHBondContact O-N 3.35Å
361K88.8Confident82.1Confident110 Ų110114.2 Ų114.248%0.47858%0.577SS.*Hα-helixtrans-58.8-36.2170.7-69-177.9179.4-176.30112.5K356 S357 K365K356-K361 HydrophobicContact CB-CG 4.07Å; K356-K361 WeakPolarHBondContact O-CE 3.32Å; S357-K361 PolarHBondContact O-N 3.06Å; K361-K365 WeakPolarHBondContact O-CG 3.29Å; K361-K365 PolarHBondContact O-N 2.73Å; K361-K365 VanDerWaalsContact O-N 3.1Å
362R91.9Very high84.9Confident182 Ų182108.4 Ų108.469%0.68756%0.557SS**Hα-helixtrans-71.9-37.9175.4-172.1178.2-178.4178.61.1111.5S358 F359 E360 M366S358-R362 PolarHBondContact O-N 3.1Å; F359-R362 CarbonylContact O-C 3.57Å; F359-R362 WeakPolarHBondContact O-CB 3.22Å; F359-R362 PolarHBondContact O-N 3.28Å; E360-R362 VanDerWaalsContact C-N 3.25Å; E360-R362 PolarHBondContact O-N 3.05Å; R362-M366 WeakPolarHBondContact O-CB 3.42Å; R362-M366 VanDerWaalsContact O-CG 3.28Å; R362-M366 WeakPolarHBondContact O-CG 3.41Å; R362-M366 PolarHBondContact O-N 3Å
363Q92.8Very high87.4Confident96 Ų96106.7 Ų106.745%0.44954%0.539SS..Hα-helixtrans-67.3-39.8176.5-171.6172.13.300111.1F359 E360 M366 N367F359-Q363 WeakPolarHBondContact O-CB 3.43Å; F359-Q363 PolarHBondContact O-N 3.3Å; E360-Q363 CarbonylContact O-C 3.57Å; E360-Q363 WeakPolarHBondContact O-CB 3.48Å; E360-Q363 PolarHBondContact O-N 3Å; E360-Q363 VanDerWaalsContact O-N 3.08Å; Q363-M366 PolarHBondContact O-N 3.35Å; Q363-N367 WeakPolarHBondContact O-CB 3.02Å; Q363-N367 PolarHBondContact O-N 3.31Å; Q363-N367 PolarHBondContact O-ND2 3.19Å; Q363-N367 PolarHBondContact O-OD1 3.35Å
364E91.8Very high89.6Confident63 Ų63105.3 Ų105.329%0.29453%0.528SS..Hα-helixtrans-62.8-50.7173.2-72.8-178.3164.500111.3K356 E360 M366 N367 E368K356-E364 VanDerWaalsContact CD-OE1 3.27Å; K356-E364 WeakPolarHBondContact CD-OE1 3.49Å; K356-E364 VanDerWaalsContact CD-OE2 3.24Å; K356-E364 WeakPolarHBondContact CD-OE2 3.2Å; K356-E364 WeakPolarHBondContact CE-OE1 3.4Å; K356-E364 IonicContact NZ-OE1 2.57Å; K356-E364 PolarHBondContact NZ-OE1 3.05Å; K356-E364 IonicContact NZ-OE2 2.79Å; K356-E364 PolarHBondContact NZ-OE2 3.45Å; E360-E364 WeakPolarHBondContact O-CG 3.39Å; E360-E364 PolarHBondContact O-N 3.35Å; E364-M366 PolarHBondContact O-N 3.38Å; E364-N367 CarbonylContact O-C 3.54Å; E364-N367 PolarHBondContact O-N 2.91Å; E364-E368 WeakPolarHBondContact O-CB 3.45Å; E364-E368 VanDerWaalsContact O-CG 3.31Å; E364-E368 WeakPolarHBondContact O-CG 3.35Å; E364-E368 PolarHBondContact O-N 3.03Å
365K95Very high91.2Very high149 Ų149103.5 Ų103.565%0.64852%0.517SS*.Hα-helixtrans-58.1-36.8174-73.3-178.3178.9-171.30113.2K361 K369K361-K365 WeakPolarHBondContact O-CG 3.29Å; K361-K365 PolarHBondContact O-N 2.73Å; K361-K365 VanDerWaalsContact O-N 3.1Å; K365-K369 WeakPolarHBondContact O-CB 3.37Å; K365-K369 PolarHBondContact O-N 3.42Å
366M95.3Very high92.3Very high99 Ų99102.9 Ų102.949%0.48850%0.504SS..Hα-helixtrans-67.5-44.2174.8-82.8-65.9-57.500111.4R362 Q363 E364 K369 I370R362-M366 WeakPolarHBondContact O-CB 3.42Å; R362-M366 VanDerWaalsContact O-CG 3.28Å; R362-M366 WeakPolarHBondContact O-CG 3.41Å; R362-M366 PolarHBondContact O-N 3Å; Q363-M366 PolarHBondContact O-N 3.35Å; E364-M366 PolarHBondContact O-N 3.38Å; M366-K369 PolarHBondContact O-N 3.13Å; M366-I370 WeakPolarHBondContact O-CB 3.41Å; M366-I370 WeakPolarHBondContact O-CD1 3.42Å; M366-I370 WeakPolarHBondContact O-CG1 3.16Å; M366-I370 PolarHBondContact O-N 2.81Å
367N95.8Very high93Very high86 Ų86106.8 Ų106.846%0.4653%0.528SS..Hα-helixtrans-67.1-38.6178-70.6-13000111.5Q363 E364 I370 A371Q363-N367 WeakPolarHBondContact O-CB 3.02Å; Q363-N367 PolarHBondContact O-N 3.31Å; Q363-N367 PolarHBondContact O-ND2 3.19Å; Q363-N367 PolarHBondContact O-OD1 3.35Å; E364-N367 CarbonylContact O-C 3.54Å; E364-N367 PolarHBondContact O-N 2.91Å; N367-I370 PolarHBondContact O-N 2.92Å; N367-A371 VanDerWaalsContact O-CB 3.32Å; N367-A371 WeakPolarHBondContact O-CB 3.38Å; N367-A371 PolarHBondContact O-N 3.37Å
368E95.8Very high93.3Very high130 Ų130110.9 Ų110.961%0.60754%0.544SS*.Hα-helixtrans-59.8-45.7171.6-74.5171.2-178.900111E364 A371 S372E364-E368 WeakPolarHBondContact O-CB 3.45Å; E364-E368 VanDerWaalsContact O-CG 3.31Å; E364-E368 WeakPolarHBondContact O-CG 3.35Å; E364-E368 PolarHBondContact O-N 3.03Å; E368-A371 PolarHBondContact O-N 3.27Å; E368-S372 PolarHBondContact O-N 3.04Å
369K96.4Very high93.6Very high129 Ų129111.1 Ų111.156%0.56153%0.534SS*.Hα-helixtrans-66.3-37.8175.5-174172.8-177.4173.80112.5K365 M366 S372 L373K365-K369 WeakPolarHBondContact O-CB 3.37Å; K365-K369 PolarHBondContact O-N 3.42Å; M366-K369 PolarHBondContact O-N 3.13Å; K369-S372 WeakPolarHBondContact CA-OG 3.42Å; K369-S372 PolarHBondContact O-N 3.2Å; K369-S372 PolarHBondContact O-OG 3.34Å; K369-L373 HydrophobicContact CG-CD1 4.18Å; K369-L373 WeakPolarHBondContact O-CB 3.39Å; K369-L373 VanDerWaalsContact O-CG 3.24Å; K369-L373 WeakPolarHBondContact O-CG 3.34Å; K369-L373 PolarHBondContact O-N 3.29Å
370I95.8Very high93.7Very high70 Ų70113.6 Ų113.636%0.35954%0.544SS..Hα-helixtrans-63.7-47.7174.6-71.9162.7000109.2M366 N367 S372 L373 E374M366-I370 WeakPolarHBondContact O-CB 3.41Å; M366-I370 WeakPolarHBondContact O-CD1 3.42Å; M366-I370 WeakPolarHBondContact O-CG1 3.16Å; M366-I370 PolarHBondContact O-N 2.81Å; N367-I370 PolarHBondContact O-N 2.92Å; I370-S372 VanDerWaalsContact C-N 3.33Å; I370-S372 PolarHBondContact O-N 3.46Å; I370-L373 PolarHBondContact O-N 3.17Å; I370-E374 HydrophobicContact CG2-CG 4.14Å; I370-E374 WeakPolarHBondContact CG2-OE1 3.1Å; I370-E374 WeakPolarHBondContact O-CB 3.43Å; I370-E374 VanDerWaalsContact O-CG 3.31Å; I370-E374 WeakPolarHBondContact O-CG 3.44Å; I370-E374 PolarHBondContact O-N 3.43Å
371A96.1Very high93.8Very high52 Ų52116.4 Ų116.443%0.4356%0.555SS.*Hα-helixtrans-62.3-38.4178.300000112.3N367 E368 K375N367-A371 VanDerWaalsContact O-CB 3.32Å; N367-A371 WeakPolarHBondContact O-CB 3.38Å; N367-A371 PolarHBondContact O-N 3.37Å; E368-A371 PolarHBondContact O-N 3.27Å; A371-K375 VanDerWaalsContact O-CB 3.31Å; A371-K375 WeakPolarHBondContact O-CB 3.38Å; A371-K375 PolarHBondContact O-N 2.83Å
372S96.1Very high94Very high66 Ų66114.6 Ų114.646%0.46256%0.555SS.*Hα-helixtrans-64.8-42.217568.60000111.9E368 K369 I370 K375 E376E368-S372 PolarHBondContact O-N 3.04Å; K369-S372 WeakPolarHBondContact CA-OG 3.42Å; K369-S372 PolarHBondContact O-N 3.2Å; K369-S372 PolarHBondContact O-OG 3.34Å; I370-S372 VanDerWaalsContact C-N 3.33Å; I370-S372 PolarHBondContact O-N 3.46Å; S372-K375 PolarHBondContact O-N 2.97Å; S372-E376 WeakPolarHBondContact O-CB 3.41Å; S372-E376 PolarHBondContact O-N 3.44Å
373L95.3Very high93.9Very high79 Ų79107.7 Ų107.741%0.41453%0.528SS..Hα-helixtrans-70.3-40.2178.2-70.6171.7000112.1K369 I370 K375 E376 L377K369-L373 HydrophobicContact CG-CD1 4.18Å; K369-L373 WeakPolarHBondContact O-CB 3.39Å; K369-L373 VanDerWaalsContact O-CG 3.24Å; K369-L373 WeakPolarHBondContact O-CG 3.34Å; K369-L373 PolarHBondContact O-N 3.29Å; I370-L373 PolarHBondContact O-N 3.17Å; L373-K375 VanDerWaalsContact C-N 3.29Å; L373-K375 PolarHBondContact O-N 2.85Å; L373-E376 PolarHBondContact O-N 3.35Å; L373-L377 WeakPolarHBondContact O-CB 3.45Å; L373-L377 VanDerWaalsContact O-CG 3.23Å; L373-L377 WeakPolarHBondContact O-CG 3.49Å; L373-L377 PolarHBondContact O-N 2.99Å
374E94.5Very high93.9Very high117 Ų117107.3 Ų107.355%0.54753%0.527SS..Hα-helixtrans-61.4-40.2174-74.8176.4174.600111.1I370 L377 L378I370-E374 HydrophobicContact CG2-CG 4.14Å; I370-E374 WeakPolarHBondContact CG2-OE1 3.1Å; I370-E374 WeakPolarHBondContact O-CB 3.43Å; I370-E374 VanDerWaalsContact O-CG 3.31Å; I370-E374 WeakPolarHBondContact O-CG 3.44Å; I370-E374 PolarHBondContact O-N 3.43Å; E374-L377 PolarHBondContact O-N 3.03Å; E374-L378 VanDerWaalsContact O-CG 3.28Å; E374-L378 WeakPolarHBondContact O-CG 3.42Å; E374-L378 PolarHBondContact O-N 2.86Å; E374-L378 VanDerWaalsContact O-N 3.08Å
375K95.1Very high93.8Very high131 Ų131110.2 Ų110.257%0.5754%0.544SS*.Hα-helixtrans-64.6-46.7174.9-168.1-173.6-176.8-154.50111.8A371 S372 L373 L377 L378 E379A371-K375 VanDerWaalsContact O-CB 3.31Å; A371-K375 WeakPolarHBondContact O-CB 3.38Å; A371-K375 PolarHBondContact O-N 2.83Å; S372-K375 PolarHBondContact O-N 2.97Å; L373-K375 VanDerWaalsContact C-N 3.29Å; L373-K375 PolarHBondContact O-N 2.85Å; K375-L377 VanDerWaalsContact C-N 3.28Å; K375-L377 PolarHBondContact O-N 3.36Å; K375-L378 PolarHBondContact O-N 3.2Å; K375-L378 VanDerWaalsContact O-N 3.14Å; K375-E379 WeakPolarHBondContact CE-OE1 3.47Å; K375-E379 IonicContact NZ-OE1 2.66Å; K375-E379 WeakPolarHBondContact O-CG 3.43Å; K375-E379 PolarHBondContact O-N 3.04Å
376E93.2Very high93.6Very high133 Ų133107 Ų10762%0.62153%0.531SS*.Hα-helixtrans-59.9-38.2176.9-172.5-178.4173.500111.9S372 L373 E379S372-E376 WeakPolarHBondContact O-CB 3.41Å; S372-E376 PolarHBondContact O-N 3.44Å; L373-E376 PolarHBondContact O-N 3.35Å; E376-E379 PolarHBondContact O-N 3.43Å
377L92.6Very high93.4Very high150 Ų150105.6 Ų105.679%0.78554%0.541SS*.Hα-helixtrans-70.1-29.6176.6-72172.2000113.5L373 E374 K375L373-L377 WeakPolarHBondContact O-CB 3.45Å; L373-L377 VanDerWaalsContact O-CG 3.23Å; L373-L377 WeakPolarHBondContact O-CG 3.49Å; L373-L377 PolarHBondContact O-N 2.99Å; E374-L377 PolarHBondContact O-N 3.03Å; K375-L377 VanDerWaalsContact C-N 3.28Å; K375-L377 PolarHBondContact O-N 3.36Å
378L93.1Very high93.2Very high155 Ų155110.6 Ų110.681%0.81256%0.562SS**Hα-helixtrans-80.8-28.2175.5-72.1170.5000112.6E374 K375E374-L378 VanDerWaalsContact O-CG 3.28Å; E374-L378 WeakPolarHBondContact O-CG 3.42Å; E374-L378 PolarHBondContact O-N 2.86Å; E374-L378 VanDerWaalsContact O-N 3.08Å; K375-L378 PolarHBondContact O-N 3.2Å; K375-L378 VanDerWaalsContact O-N 3.14Å
379E92.4Very high93Very high108 Ų108106.3 Ų106.351%0.50555%0.545SS..SBendtrans-70.2159.2177.2-76177.6-17200112.1K375 E376 K381K375-E379 WeakPolarHBondContact CE-OE1 3.47Å; K375-E379 IonicContact NZ-OE1 2.66Å; K375-E379 WeakPolarHBondContact O-CG 3.43Å; K375-E379 PolarHBondContact O-N 3.04Å; E376-E379 PolarHBondContact O-N 3.43Å; E379-K381 PolarHBondContact O-N 3.02Å
380K90.1Very high92.9Very high196 Ų196103.6 Ų103.685%0.85254%0.539SS*.PPolyproline II helixtrans-69.6131.1177-68.3-179.4-178.2176.50108.8
381K92.4Very high92.7Very high143 Ų143103.9 Ų103.962%0.62255%0.552SS**PPolyproline II helixtrans-53.9142.7173.8-67.8-172.5178.5-175.80110.9E379 L385 Q386E379-K381 PolarHBondContact O-N 3.02Å; K381-L385 HydrophobicContact CB-CB 4.2Å; K381-L385 HydrophobicContact CD-CB 4.28Å; K381-Q386 PolarHBondContact O-NE2 3.15Å
382P91.9Very high92.6Very high73 Ų73110.4 Ų110.447%0.47457%0.573SS.*PPolyproline II helixtrans-60.2157.8174.429.9-38000110.6Q384 L385P382-Q384 PolarHBondContact O-N 2.95Å; P382-L385 HydrophobicContact CG-CB 4.4Å; P382-L385 HydrophobicContact CG-CD1 3.93Å; P382-L385 HydrophobicContact CG-CG 4.13Å; P382-L385 PolarHBondContact O-N 3.27Å
383W91.2Very high92.3Very high37 Ų37113.5 Ų113.514%0.1458%0.579CS.*G310 helixtrans-59.7-33.1-17272-91.2000112.2L385 Q386 V389 R394 S398W383-L385 PolarHBondContact O-N 2.83Å; W383-Q386 PolarHBondContact O-N 3.35Å; W383-V389 HydrophobicContact CB-CG1 4.21Å; W383-V389 HydrophobicContact CE3-CG1 4.05Å; W383-V389 VanDerWaalsContact O-CG2 3.27Å; W383-V389 WeakPolarHBondContact O-CG2 3.45Å; W383-R394 HydrophobicContact CB-CB 4.28Å; W383-R394 HydrophobicContact CD2-CB 3.68Å; W383-R394 HydrophobicContact CE3-CB 4.04Å; W383-R394 HydrophobicContact CG-CB 3.79Å; W383-S398 WeakPolarHBondContact CZ2-OG 3.28Å; W383-S398 PolarHBondContact NE1-OG 3.11Å
384Q92.1Very high92.2Very high88 Ų88113 Ų11341%0.41157%0.571SS.*G310 helixtrans-59.4-29.8176.7-60.296.1-38.200113.8P382 E402P382-Q384 PolarHBondContact O-N 2.95Å; Q384-E402 PolarHBondContact NE2-OE2 3.4Å
385L90.4Very high92.1Very high124 Ų124111.3 Ų111.365%0.64957%0.57SS**G310 helixtrans-944.1-179.6-66.1-180000113K381 P382 W383K381-L385 HydrophobicContact CB-CB 4.2Å; K381-L385 HydrophobicContact CD-CB 4.28Å; P382-L385 HydrophobicContact CG-CB 4.4Å; P382-L385 HydrophobicContact CG-CD1 3.93Å; P382-L385 HydrophobicContact CG-CG 4.13Å; P382-L385 PolarHBondContact O-N 3.27Å; W383-L385 PolarHBondContact O-N 2.83Å
386Q89.9Confident92Very high81 Ų81113.8 Ų113.838%0.37958%0.584SS.*SBendtrans-99.6137.2173.4-62.5-177.19.700109.2K381 W383 V389K381-Q386 PolarHBondContact O-NE2 3.15Å; W383-Q386 PolarHBondContact O-N 3.35Å; Q386-V389 HydrophobicContact CB-CG2 3.73Å; Q386-V389 VanDerWaalsContact O-CG2 3.29Å; Q386-V389 WeakPolarHBondContact O-CG2 3.41Å
387G91.6Very high92Very high69 Ų69113.2 Ų113.271%0.71159%0.585SS**SBendtrans-75.9157168.500000111.2V389G387-V389 VanDerWaalsContact C-N 3.32Å; G387-V389 PolarHBondContact O-N 3.47Å
388E90.3Very high91.9Very high191 Ų191106.6 Ų106.689%0.89355%0.551SS**SBendtrans53.845.8171.3-58.4174.3-176.100113.6T390E388-T390 PolarHBondContact O-N 2.98Å
389V93.3Very high91.8Very high40 Ų40102.6 Ų102.624%0.24253%0.53CS..  trans-76.4118.7178.9-179.90000109.8W383 Q386 G387 K393 R394W383-V389 HydrophobicContact CB-CG1 4.21Å; W383-V389 HydrophobicContact CE3-CG1 4.05Å; W383-V389 VanDerWaalsContact O-CG2 3.27Å; W383-V389 WeakPolarHBondContact O-CG2 3.45Å; Q386-V389 HydrophobicContact CB-CG2 3.73Å; Q386-V389 VanDerWaalsContact O-CG2 3.29Å; Q386-V389 WeakPolarHBondContact O-CG2 3.41Å; G387-V389 VanDerWaalsContact C-N 3.32Å; G387-V389 PolarHBondContact O-N 3.47Å; V389-K393 HydrophobicContact CG1-CB 4.02Å; V389-R394 HydrophobicContact CG1-CB 4.19Å
390T92.9Very high91.8Very high73 Ų73104.6 Ų104.645%0.44854%0.544SS..  trans-79.8157.7171.957.90000111E388 Q392 K393E388-T390 PolarHBondContact O-N 2.98Å; T390-Q392 PolarHBondContact O-N 2.98Å; T390-K393 PolarHBondContact O-N 2.85Å
391A92.7Very high91.8Very high75 Ų75103.1 Ų103.162%0.6254%0.54SS*.G310 helixtrans-55-30.4-178.200000114R394A391-R394 WeakPolarHBondContact O-CG 3.47Å
392Q92.6Very high91.6Very high189 Ų18999.9 Ų99.988%0.88353%0.527SS*.G310 helixtrans-74.5-23.1179.3-64.5178.8-9.300114.2T390T390-Q392 PolarHBondContact O-N 2.98Å
393K91.3Very high91.6Very high132 Ų132102.3 Ų102.357%0.57454%0.54SS*.G310 helixtrans-85.4-15.2-176.6-71.4179.1-176.4174.10112.8V389 T390V389-K393 HydrophobicContact CG1-CB 4.02Å; T390-K393 PolarHBondContact O-N 2.85Å
394R91.6Very high91.6Very high69 Ų69105 Ų10526%0.2656%0.557SS.*SBendtrans-106.2153.217766.6179.1-174.8-168.61.5110.7W383 V389 A391W383-R394 HydrophobicContact CB-CB 4.28Å; W383-R394 HydrophobicContact CD2-CB 3.68Å; W383-R394 HydrophobicContact CE3-CB 4.04Å; W383-R394 HydrophobicContact CG-CB 3.79Å; V389-R394 HydrophobicContact CG1-CB 4.19Å; A391-R394 WeakPolarHBondContact O-CG 3.47Å
395P93.9Very high91.6Very high80 Ų80109.7 Ų109.752%0.51958%0.579SS.*  trans-58.8152170.7-20.732.7000111.8S398P395-S398 WeakPolarHBondContact O-CB 3.49Å; P395-S398 PolarHBondContact O-N 3.02Å
396E93.3Very high91.7Very high183 Ų183110.4 Ų110.486%0.85558%0.577SS**THydrogen-bonded Turntrans-58.3143175.2-63-178.2174.800110.5S398E396-S398 PolarHBondContact O-N 3.42Å
397N92.1Very high91.9Very high122 Ų122114.3 Ų114.365%0.65260%0.6SS**THydrogen-bonded Turntrans59.13.3179.7-58.2-32000117.4L399 L400N397-L399 PolarHBondContact O-N 2.9Å; N397-L399 VanDerWaalsContact O-N 3.08Å; N397-L400 HydrophobicContact CB-CD1 4.36Å; N397-L400 WeakPolarHBondContact O-CB 3.48Å; N397-L400 PolarHBondContact O-N 3.35Å
398S91.8Very high92Very high10 Ų10117 Ų1177%0.0759%0.594CS.*Hα-helixtrans-62.4-20.7-179.4-169.20000114W383 P395 E396 L400 E401W383-S398 WeakPolarHBondContact CZ2-OG 3.28Å; W383-S398 PolarHBondContact NE1-OG 3.11Å; P395-S398 WeakPolarHBondContact O-CB 3.49Å; P395-S398 PolarHBondContact O-N 3.02Å; E396-S398 PolarHBondContact O-N 3.42Å; S398-L400 VanDerWaalsContact C-N 3.32Å; S398-L400 PolarHBondContact O-N 2.88Å; S398-E401 PolarHBondContact O-N 3.45Å
399L90.5Very high92.1Very high72 Ų72113 Ų11338%0.37759%0.594SS.*Hα-helixtrans-69-27.9174.9-175.860000113.3N397 E401 L404N397-L399 PolarHBondContact O-N 2.9Å; N397-L399 VanDerWaalsContact O-N 3.08Å; L399-E401 VanDerWaalsContact C-N 3.27Å; L399-L404 HydrophobicContact CD1-CD1 3.33Å; L399-L404 HydrophobicContact CD1-CG 4.05Å
400L91.3Very high92.1Very high150 Ų150116.6 Ų116.679%0.78562%0.615SS**Hα-helixtrans-73.6-24179.4-63.7173.7000111.9N397 S398N397-L400 HydrophobicContact CB-CD1 4.36Å; N397-L400 WeakPolarHBondContact O-CB 3.48Å; N397-L400 PolarHBondContact O-N 3.35Å; S398-L400 VanDerWaalsContact C-N 3.32Å; S398-L400 PolarHBondContact O-N 2.88Å
401E90.9Very high92.1Very high164 Ų164124.4 Ų124.477%0.76664%0.637SS**Hα-helixtrans-81.1-26.3179-60.9177.7168.800112S398 L399S398-E401 PolarHBondContact O-N 3.45Å; L399-E401 VanDerWaalsContact C-N 3.27Å
402E88.7Confident91.8Very high76 Ų76128.5 Ų128.536%0.35565%0.645SS.*SBendtrans-99.6132.2-172.5-162.874.8-14600111.7Q384 L404Q384-E402 PolarHBondContact NE2-OE2 3.4Å; E402-L404 HydrophobicContact CG-CD2 3.75Å; E402-L404 HydrophobicContact CG-CG 4.24Å; E402-L404 PolarHBondContact O-N 2.92Å; E402-L404 VanDerWaalsContact O-N 3.16Å
403T92.3Very high91.8Very high123 Ų123123.7 Ų123.776%0.75564%0.637SS**  trans-87.780.117845.70000111.8
404L90.9Very high91.8Very high94 Ų94123.2 Ų123.249%0.49265%0.648SS.*  trans-81.3139.1176.1-58.6-173000112.1L399 E402L399-L404 HydrophobicContact CD1-CD1 3.33Å; L399-L404 HydrophobicContact CD1-CG 4.05Å; E402-L404 HydrophobicContact CG-CD2 3.75Å; E402-L404 HydrophobicContact CG-CG 4.24Å; E402-L404 PolarHBondContact O-N 2.92Å; E402-L404 VanDerWaalsContact O-N 3.16Å
405H92.5Very high91.8Very high187 Ų187125.5 Ų125.587%0.86667%0.669SS**  trans-95.6124.3171.4-65.464.6000108.6
406F92.1Very high91.8Very high138 Ų138128.5 Ų128.561%0.60568%0.679SS**  trans-141.6147.8178.164.2-85.3000110.3H408F406-H408 AromaticContact CD2-CE1 3.78Å; F406-H408 AromaticContact CD2-ND1 3.89Å; F406-H408 AromaticContact CE2-CE1 2.98Å; F406-H408 WeakPolarHBondContact CE2-CE1 3.37Å; F406-H408 AromaticContact CE2-ND1 3.53Å; F406-H408 AromaticContact CE2-NE2 3.38Å; F406-H408 WeakPolarHBondContact CE2-NE2 3.43Å; F406-H408 AromaticContact CZ-CE1 3.3Å; F406-H408 WeakPolarHBondContact CZ-CE1 3.11Å; F406-H408 AromaticContact CZ-NE2 3.75Å
407D93.3Very high91.9Very high164 Ų164122.7 Ų122.788%0.87766%0.657SS**  trans-80.7134.9179.9-64.4-29.7000110.4
408H93.9Very high92.1Very high124 Ų124124.7 Ų124.757%0.57466%0.662SS**  trans-93.8130.8169.7-72.972.4000109.5F406 V410F406-H408 AromaticContact CD2-CE1 3.78Å; F406-H408 AromaticContact CD2-ND1 3.89Å; F406-H408 AromaticContact CE2-CE1 2.98Å; F406-H408 WeakPolarHBondContact CE2-CE1 3.37Å; F406-H408 AromaticContact CE2-ND1 3.53Å; F406-H408 AromaticContact CE2-NE2 3.38Å; F406-H408 WeakPolarHBondContact CE2-NE2 3.43Å; F406-H408 AromaticContact CZ-CE1 3.3Å; F406-H408 WeakPolarHBondContact CZ-CE1 3.11Å; F406-H408 AromaticContact CZ-NE2 3.75Å; H408-V410 VanDerWaalsContact C-N 3.32Å; H408-V410 PolarHBondContact O-N 3.04Å
409A92.6Very high92.2Very high108 Ų108131.7 Ų131.789%0.89369%0.694SS**SBendtrans-72-24.1-17700000113.9
410V94.1Very high92.5Very high115 Ų115131.7 Ų131.770%0.69770%0.697SS**SBendtrans-124.9140.7-173.3-176.50000109.7H408 M412H408-V410 VanDerWaalsContact C-N 3.32Å; H408-V410 PolarHBondContact O-N 3.04Å; V410-M412 PolarHBondContact O-N 2.93Å
411R90.8Very high92.8Very high238 Ų238127.1 Ų127.190%0.89868%0.675SS**PPolyproline II helixtrans-68.2122.3169-68.2-176.5-179.3153.21.2108.7
412M88.4Confident93.1Very high161 Ų161123.9 Ų123.979%0.79366%0.662SS**PPolyproline II helixtrans-59.7141.3175.7-60178.67200109.6V410V410-M412 PolarHBondContact O-N 2.93Å
413A91.9Very high93.5Very high87 Ų87126.1 Ų126.172%0.71967%0.673SS**PPolyproline II helixtrans-58.1133.1174.700000109.2V415A413-V415 PolarHBondContact O-N 3.08Å
414P91Very high93.7Very high122 Ų122125.3 Ų125.379%0.79266%0.663SS**PPolyproline II helixtrans-62.9133.4179.426-33000109.6I416P414-I416 PolarHBondContact O-N 3.17Å
415V91.9Very high94Very high118 Ų118124.8 Ų124.872%0.71566%0.658SS**PPolyproline II helixtrans-73.7128.8175.2-177.50000108.1A413 T417A413-V415 PolarHBondContact O-N 3.08Å; V415-T417 PolarHBondContact O-N 3.3Å
416I93.4Very high94.2Very high142 Ų142119.6 Ų119.673%0.72864%0.637SS**  trans-71.298.8177.1-58169.3000107.5P414 T421P414-I416 PolarHBondContact O-N 3.17Å; I416-T421 HydrophobicContact CG2-CG2 3.57Å
417T96.1Very high94.5Very high62 Ų62115.9 Ų115.938%0.3862%0.623SS.*  trans-93.4158.5174.865.80000110.5V415 E419 T420 T421V415-T417 PolarHBondContact O-N 3.3Å; T417-E419 PolarHBondContact O-N 3.29Å; T417-T420 PolarHBondContact N-OG1 3.11Å; T417-T420 VanDerWaalsContact N-OG1 3.12Å; T417-T420 PolarHBondContact O-N 3.33Å; T417-T420 PolarHBondContact O-OG1 2.78Å; T417-T420 WeakPolarHBondContact OG1-CG2 3.38Å; T417-T420 PolarHBondContact OG1-N 2.99Å; T417-T421 PolarHBondContact O-N 3.45Å; T417-T421 VanDerWaalsContact O-N 3.12Å
418E95.5Very high94.7Very high163 Ų163112 Ų11276%0.76260%0.601SS**Hα-helixtrans-55.9-39.1177.9-63179.6-17800112T420 T421 L422E418-T420 PolarHBondContact O-N 3Å; E418-T421 WeakPolarHBondContact CA-OG1 3.3Å; E418-T421 PolarHBondContact O-N 3.2Å; E418-T421 VanDerWaalsContact O-N 3.16Å; E418-T421 PolarHBondContact O-OG1 2.94Å; E418-L422 WeakPolarHBondContact O-CG 3.45Å; E418-L422 PolarHBondContact O-N 3.45Å
419E95Very high94.8Very high158 Ų158109.9 Ų109.974%0.73859%0.59SS**Hα-helixtrans-59.6-43.6176.4-60.1-179.5169.500112.4T417 T421 L422 H423T417-E419 PolarHBondContact O-N 3.29Å; E419-T421 VanDerWaalsContact C-N 3.31Å; E419-T421 PolarHBondContact O-N 3.36Å; E419-L422 PolarHBondContact O-N 3.27Å; E419-H423 PolarHBondContact O-N 3.27Å
420T96.6Very high95Very high71 Ų71109.9 Ų109.944%0.43657%0.572SS.*Hα-helixtrans-65.6-36.2177.261.20000111.7T417 E418 L424T417-T420 PolarHBondContact N-OG1 3.11Å; T417-T420 VanDerWaalsContact N-OG1 3.12Å; T417-T420 PolarHBondContact O-N 3.33Å; T417-T420 PolarHBondContact O-OG1 2.78Å; T417-T420 WeakPolarHBondContact OG1-CG2 3.38Å; T417-T420 PolarHBondContact OG1-N 2.99Å; E418-T420 PolarHBondContact O-N 3Å; T420-L424 WeakPolarHBondContact O-CB 3.27Å; T420-L424 PolarHBondContact O-N 3.44Å
421T96.8Very high95.2Very high54 Ų54110.6 Ų110.633%0.33156%0.562SS.*Hα-helixtrans-69.3-41.917658.40000112.4I416 T417 E418 E419 H423 L424 E425I416-T421 HydrophobicContact CG2-CG2 3.57Å; T417-T421 PolarHBondContact O-N 3.45Å; T417-T421 VanDerWaalsContact O-N 3.12Å; E418-T421 WeakPolarHBondContact CA-OG1 3.3Å; E418-T421 PolarHBondContact O-N 3.2Å; E418-T421 VanDerWaalsContact O-N 3.16Å; E418-T421 PolarHBondContact O-OG1 2.94Å; E419-T421 VanDerWaalsContact C-N 3.31Å; E419-T421 PolarHBondContact O-N 3.36Å; T421-H423 VanDerWaalsContact C-N 3.32Å; T421-H423 PolarHBondContact O-N 3.11Å; T421-L424 WeakPolarHBondContact O-CB 3.46Å; T421-L424 PolarHBondContact O-N 3.31Å; T421-E425 WeakPolarHBondContact O-CG 3.24Å; T421-E425 PolarHBondContact O-N 2.9Å
422L96.9Very high95.4Very high96 Ų96103.3 Ų103.350%0.50354%0.54SS..Hα-helixtrans-61.7-41.9175.8-70.8173.5000111.5E418 E419 E425 D426E418-L422 WeakPolarHBondContact O-CG 3.45Å; E418-L422 PolarHBondContact O-N 3.45Å; E419-L422 PolarHBondContact O-N 3.27Å; L422-E425 PolarHBondContact O-N 3.17Å; L422-D426 PolarHBondContact O-N 2.96Å
423H97.3Very high95.8Very high124 Ų124104 Ų10457%0.57453%0.534SS*.Hα-helixtrans-62.7-43.1175.5-172.161.1000112.1E419 T421 D426 I427E419-H423 PolarHBondContact O-N 3.27Å; T421-H423 VanDerWaalsContact C-N 3.32Å; T421-H423 PolarHBondContact O-N 3.11Å; H423-D426 PolarHBondContact O-N 3.18Å; H423-I427 WeakPolarHBondContact O-CG1 3.46Å; H423-I427 PolarHBondContact O-N 3.09Å; H423-I427 VanDerWaalsContact O-N 3.11Å
424L97.1Very high96Very high106 Ų106105.8 Ų105.856%0.55553%0.531SS*.Hα-helixtrans-62.5-44.2176.3-168.7111.7000111.6T420 T421 D426 I427 I428T420-L424 WeakPolarHBondContact O-CB 3.27Å; T420-L424 PolarHBondContact O-N 3.44Å; T421-L424 WeakPolarHBondContact O-CB 3.46Å; T421-L424 PolarHBondContact O-N 3.31Å; L424-D426 VanDerWaalsContact C-N 3.32Å; L424-D426 PolarHBondContact O-N 3.18Å; L424-I427 PolarHBondContact O-N 3.2Å; L424-I428 HydrophobicContact CD2-CD1 3.69Å; L424-I428 HydrophobicContact CG-CD1 4.16Å; L424-I428 VanDerWaalsContact O-CG1 3.3Å; L424-I428 WeakPolarHBondContact O-CG1 3.47Å; L424-I428 PolarHBondContact O-N 3.07Å
425E96.6Very high96Very high83 Ų83106.7 Ų106.739%0.38853%0.525SS..Hα-helixtrans-61.9-39176-76.1-174.5-166.600112.7T421 L422 I427 I428 K429T421-E425 WeakPolarHBondContact O-CG 3.24Å; T421-E425 PolarHBondContact O-N 2.9Å; L422-E425 PolarHBondContact O-N 3.17Å; E425-I427 VanDerWaalsContact C-N 3.32Å; E425-I428 PolarHBondContact O-N 2.9Å; E425-K429 WeakPolarHBondContact O-CB 3.17Å; E425-K429 WeakPolarHBondContact O-CD 3.39Å; E425-K429 WeakPolarHBondContact O-CG 3.33Å; E425-K429 PolarHBondContact O-N 3.12Å; E425-K429 IonicContact OE2-NZ 3.07Å; E425-K429 PolarHBondContact OE2-NZ 3.48Å
426D97.7Very high96.1Very high78 Ų78103.4 Ų103.442%0.41751%0.51SS..Hα-helixtrans-65.7-38.5178-77.9-15.3000111.5L422 H423 L424 K429 Q430L422-D426 PolarHBondContact O-N 2.96Å; H423-D426 PolarHBondContact O-N 3.18Å; L424-D426 VanDerWaalsContact C-N 3.32Å; L424-D426 PolarHBondContact O-N 3.18Å; D426-K429 PolarHBondContact O-N 3.07Å; D426-K429 IonicContact OD1-NZ 2.92Å; D426-Q430 WeakPolarHBondContact O-CB 3.41Å; D426-Q430 VanDerWaalsContact O-CG 3.24Å; D426-Q430 WeakPolarHBondContact O-CG 3.37Å; D426-Q430 PolarHBondContact O-N 3.22Å
427I97.3Very high95.9Very high60 Ų60103.9 Ų103.931%0.30850%0.503SS..Hα-helixtrans-62.3-45.9171.9-66.1166.2000110.4H423 L424 E425 Q430 R431H423-I427 WeakPolarHBondContact O-CG1 3.46Å; H423-I427 PolarHBondContact O-N 3.09Å; H423-I427 VanDerWaalsContact O-N 3.11Å; L424-I427 PolarHBondContact O-N 3.2Å; E425-I427 VanDerWaalsContact C-N 3.32Å; I427-Q430 PolarHBondContact O-N 3.34Å; I427-R431 PolarHBondContact O-N 3.03Å
428I96.9Very high95.8Very high82 Ų82107.8 Ų107.842%0.42152%0.522SS..Hα-helixtrans-62.3-47178.6-67.9165.2000110.3L424 E425 Q430 R431 I432L424-I428 HydrophobicContact CD2-CD1 3.69Å; L424-I428 HydrophobicContact CG-CD1 4.16Å; L424-I428 VanDerWaalsContact O-CG1 3.3Å; L424-I428 WeakPolarHBondContact O-CG1 3.47Å; L424-I428 PolarHBondContact O-N 3.07Å; E425-I428 PolarHBondContact O-N 2.9Å; I428-Q430 VanDerWaalsContact C-N 3.29Å; I428-Q430 PolarHBondContact O-N 3.38Å; I428-R431 PolarHBondContact O-N 2.92Å; I428-I432 HydrophobicContact CG2-CD1 3.76Å; I428-I432 HydrophobicContact CG2-CG1 4.4Å; I428-I432 VanDerWaalsContact O-CG1 3.27Å; I428-I432 WeakPolarHBondContact O-CG1 3.45Å; I428-I432 PolarHBondContact O-N 3.28Å
429K97.3Very high95.5Very high79 Ų79106 Ų10634%0.34352%0.517SS..Hα-helixtrans-59.5-40.1176.9-72.6163.7-166.6157.10111.2E425 D426 R433E425-K429 WeakPolarHBondContact O-CB 3.17Å; E425-K429 WeakPolarHBondContact O-CD 3.39Å; E425-K429 WeakPolarHBondContact O-CG 3.33Å; E425-K429 PolarHBondContact O-N 3.12Å; E425-K429 IonicContact OE2-NZ 3.07Å; E425-K429 PolarHBondContact OE2-NZ 3.48Å; D426-K429 PolarHBondContact O-N 3.07Å; D426-K429 IonicContact OD1-NZ 2.92Å; K429-R433 WeakPolarHBondContact O-CB 3.5Å; K429-R433 VanDerWaalsContact O-CG 3.23Å; K429-R433 WeakPolarHBondContact O-CG 3.45Å; K429-R433 PolarHBondContact O-N 3.22Å
430Q97.1Very high95.2Very high108 Ų108105.3 Ų105.351%0.50552%0.523SS..Hα-helixtrans-64.7-47.6174.6-74.517510.400111.6D426 I427 I428 I432 R433 D434D426-Q430 WeakPolarHBondContact O-CB 3.41Å; D426-Q430 VanDerWaalsContact O-CG 3.24Å; D426-Q430 WeakPolarHBondContact O-CG 3.37Å; D426-Q430 PolarHBondContact O-N 3.22Å; I427-Q430 PolarHBondContact O-N 3.34Å; I428-Q430 VanDerWaalsContact C-N 3.29Å; I428-Q430 PolarHBondContact O-N 3.38Å; Q430-I432 VanDerWaalsContact C-N 3.33Å; Q430-I432 PolarHBondContact O-N 3.49Å; Q430-R433 WeakPolarHBondContact O-CB 3.39Å; Q430-R433 PolarHBondContact O-N 3.31Å; Q430-R433 VanDerWaalsContact O-N 3.12Å; Q430-D434 WeakPolarHBondContact O-CB 3.44Å; Q430-D434 VanDerWaalsContact O-CG 3.32Å; Q430-D434 PolarHBondContact O-N 2.87Å
431R96.8Very high94.6Very high130 Ų130107 Ų10749%0.49153%0.527SS..Hα-helixtrans-61-38.5177.6-73.8-160178.1126.3-2.7113.6I427 I428 D434 Q435 A436I427-R431 PolarHBondContact O-N 3.03Å; I428-R431 PolarHBondContact O-N 2.92Å; R431-D434 CarbonylContact O-C 3.57Å; R431-D434 PolarHBondContact O-N 3.31Å; R431-Q435 WeakPolarHBondContact O-CA 3.23Å; R431-Q435 PolarHBondContact O-N 3.3Å; R431-A436 PolarHBondContact O-N 3.2Å; R431-A436 VanDerWaalsContact O-N 3.07Å
432I96.6Very high94Very high86 Ų86116 Ų11644%0.44155%0.554SS.*Hα-helixtrans-64.4-44.2174.9-66.7169.4000110.7I428 Q430 D434 Q435 W437I428-I432 HydrophobicContact CG2-CD1 3.76Å; I428-I432 HydrophobicContact CG2-CG1 4.4Å; I428-I432 VanDerWaalsContact O-CG1 3.27Å; I428-I432 WeakPolarHBondContact O-CG1 3.45Å; I428-I432 PolarHBondContact O-N 3.28Å; Q430-I432 VanDerWaalsContact C-N 3.33Å; Q430-I432 PolarHBondContact O-N 3.49Å; I432-D434 VanDerWaalsContact C-N 3.31Å; I432-D434 PolarHBondContact O-N 2.96Å; I432-Q435 PolarHBondContact O-N 2.94Å; I432-W437 HydrophobicContact CB-CH2 4.45Å; I432-W437 HydrophobicContact CG1-CH2 3.6Å; I432-W437 HydrophobicContact CG1-CZ2 4.14Å; I432-W437 HydrophobicContact CG1-CZ3 4.36Å
433R96.6Very high93.3Very high176 Ų176121.3 Ų121.366%0.66457%0.573SS**Hα-helixtrans-62-41.3176.5-74.6173.6-168.1137.31.3111.5K429 Q430 Q435K429-R433 WeakPolarHBondContact O-CB 3.5Å; K429-R433 VanDerWaalsContact O-CG 3.23Å; K429-R433 WeakPolarHBondContact O-CG 3.45Å; K429-R433 PolarHBondContact O-N 3.22Å; Q430-R433 WeakPolarHBondContact O-CB 3.39Å; Q430-R433 PolarHBondContact O-N 3.31Å; Q430-R433 VanDerWaalsContact O-N 3.12Å; R433-Q435 VanDerWaalsContact C-N 3.26Å; R433-Q435 PolarHBondContact O-N 3.23Å
434D95.3Very high92.3Very high123 Ų123122.5 Ų122.566%0.65858%0.579SS**Hα-helixtrans-79.6-9.4-179.5-64.5-19.7000112.8Q430 R431 I432 A436Q430-D434 WeakPolarHBondContact O-CB 3.44Å; Q430-D434 VanDerWaalsContact O-CG 3.32Å; Q430-D434 PolarHBondContact O-N 2.87Å; R431-D434 CarbonylContact O-C 3.57Å; R431-D434 PolarHBondContact O-N 3.31Å; I432-D434 VanDerWaalsContact C-N 3.31Å; I432-D434 PolarHBondContact O-N 2.96Å; D434-A436 HydrophobicContact CB-CB 4.27Å; D434-A436 PolarHBondContact O-N 3.12Å
435Q91.4Very high91.2Very high141 Ų141125.9 Ų125.966%0.65959%0.589SS**THydrogen-bonded Turntrans52.333.5-173.1-57.3179.7-1.900112.5R431 I432 R433 W437R431-Q435 WeakPolarHBondContact O-CA 3.23Å; R431-Q435 PolarHBondContact O-N 3.3Å; I432-Q435 PolarHBondContact O-N 2.94Å; R433-Q435 VanDerWaalsContact C-N 3.26Å; R433-Q435 PolarHBondContact O-N 3.23Å; Q435-W437 VanDerWaalsContact O-CD1 3.27Å; Q435-W437 PolarHBondContact O-N 3.49Å
436A93.2Very high89.9Confident50 Ų50127.4 Ų127.441%0.41361%0.606SS.*  trans-90.988-179.700000109.1R431 D434R431-A436 PolarHBondContact O-N 3.2Å; R431-A436 VanDerWaalsContact O-N 3.07Å; D434-A436 HydrophobicContact CB-CB 4.27Å; D434-A436 PolarHBondContact O-N 3.12Å
437W90.8Very high88.2Confident151 Ų151132 Ų13257%0.57262%0.622SS**  trans-103.9132.1179.5-52.4103.2000109.7I432 Q435 D439I432-W437 HydrophobicContact CB-CH2 4.45Å; I432-W437 HydrophobicContact CG1-CH2 3.6Å; I432-W437 HydrophobicContact CG1-CZ2 4.14Å; I432-W437 HydrophobicContact CG1-CZ3 4.36Å; Q435-W437 VanDerWaalsContact O-CD1 3.27Å; Q435-W437 PolarHBondContact O-N 3.49Å; W437-D439 PolarHBondContact O-N 3.42Å
438D92.4Very high86.3Confident145 Ų145135.3 Ų135.378%0.77564%0.637SS**  trans-89.916.3176.1-63.4-34.3000111.9
439D90.1Very high84.3Confident125 Ų125135.6 Ų135.667%0.66864%0.639SS**  trans-64.5140.8179-64.1-21.3000111.6W437 E441W437-D439 PolarHBondContact O-N 3.42Å; D439-E441 PolarHBondContact O-N 3.05Å; D439-E441 VanDerWaalsContact O-N 3.16Å
440V88.3Confident82.6Confident143 Ų143135 Ų13587%0.86765%0.649SS**  trans-68.8114.2177-177.30000109.9R442V440-R442 PolarHBondContact O-N 3.34Å
441E83.4Confident80.6Confident108 Ų108138.3 Ų138.351%0.50566%0.658SS.*  trans-66.1132.4175.6-65.9-172169.200111D439 K443 K600D439-E441 PolarHBondContact O-N 3.05Å; D439-E441 VanDerWaalsContact O-N 3.16Å; E441-K443 PolarHBondContact O-N 3.38Å; E441-K443 VanDerWaalsContact O-N 3.16Å; E441-K600 IonicContact OE1-NZ 2.63Å; E441-K600 PolarHBondContact OE1-NZ 3.43Å
442R85.6Confident78.5Confident243 Ų243139.4 Ų139.492%0.91767%0.669SS**  trans-59.9119.8174-70-176.3-179164.21109.7V440 E444V440-R442 PolarHBondContact O-N 3.34Å; R442-E444 PolarHBondContact O-N 3.16Å
443K82.4Confident76.2Confident206 Ų206145.6 Ų145.690%0.89669%0.688SS**  trans-68.5101.1175.2-66.6-179.3-177.7175.50109.4E441 K445E441-K443 PolarHBondContact O-N 3.38Å; E441-K443 VanDerWaalsContact O-N 3.16Å; K443-K445 PolarHBondContact O-N 3.48Å
444E74.8Confident74.2Confident150 Ų150146 Ų14670%0.70170%0.695SS**PPolyproline II helixtrans-67128168.1-67.1-174.9174.700109R442R442-E444 PolarHBondContact O-N 3.16Å
445K74.2Confident72.6Confident176 Ų176146.9 Ų146.977%0.76569%0.693SS**PPolyproline II helixtrans-56.2131.4169.3-66.1-178.7-178.8-179.20107.7K443 K447K443-K445 PolarHBondContact O-N 3.48Å; K445-K447 PolarHBondContact O-N 3.46Å
446P68.9Low70.6Confident115 Ų115150.8 Ų150.875%0.74770%0.702SS**PPolyproline II helixtrans-54.9117.2175.923.2-31.4000107.9E448P446-E448 PolarHBondContact O-N 3.23Å; P446-E448 VanDerWaalsContact O-N 3.12Å
447K63.6Low68.7Low174 Ų174156.3 Ų156.376%0.75772%0.723SS**  trans-73.5103.9170.5-67.8-179.9-178.2176.30105.5K445 D449K445-K447 PolarHBondContact O-N 3.46Å; K447-D449 VanDerWaalsContact C-N 3.33Å; K447-D449 PolarHBondContact O-N 3.33Å
448E56.8Low67.1Low131 Ų131154.2 Ų154.261%0.61273%0.727SS**  trans-68.598.1169.4-66.3-179.7173.900106.6P446 A450P446-E448 PolarHBondContact O-N 3.23Å; P446-E448 VanDerWaalsContact O-N 3.12Å; E448-A450 PolarHBondContact O-N 2.97Å; E448-A450 VanDerWaalsContact O-N 3.07Å
449D55.2Low66.1Low87 Ų87154.1 Ų154.147%0.46573%0.726SS.*  trans-66.5107.8173.2-75.7-34.3000106.8K447 Y451 E452K447-D449 VanDerWaalsContact C-N 3.33Å; K447-D449 PolarHBondContact O-N 3.33Å; D449-Y451 PolarHBondContact O-N 3.46Å; D449-E452 HydrophobicContact CB-CG 3.98Å; D449-E452 PolarHBondContact O-N 3.24Å
450A61.1Low65.2Low67 Ų67154.4 Ų154.455%0.55473%0.727SS**THydrogen-bonded Turntrans-56.1-0.8-175.100000115.8E448 I523E448-A450 PolarHBondContact O-N 2.97Å; E448-A450 VanDerWaalsContact O-N 3.07Å; A450-I523 HydrophobicContact CB-CD1 4.29Å
451Y54.4Low64.7Low178 Ų178156.1 Ų156.170%0.69873%0.725SS**THydrogen-bonded Turntrans-123.910.4-171.4-66.5-71.5000115.1D449 I523D449-Y451 PolarHBondContact O-N 3.46Å; Y451-I523 HydrophobicContact CE2-CD1 4.19Å; Y451-I523 WeakPolarHBondContact OH-CD1 3.23Å
452E52.8Low64.7Low153 Ų153158.6 Ų158.672%0.71574%0.737SS**  trans-93.716.3-174.4-67.9-157.1157.900116.2D449 K454D449-E452 HydrophobicContact CB-CG 3.98Å; D449-E452 PolarHBondContact O-N 3.24Å; E452-K454 VanDerWaalsContact C-N 3.33Å; E452-K454 PolarHBondContact O-N 3.26Å
453Y48.8Very low64.6Low216 Ų216156.7 Ų156.785%0.84774%0.735SS**  trans-9062.8169.3-112.2-92.1000112.6K455Y453-K455 PolarHBondContact O-N 3.03Å
454K54.8Low64.6Low185 Ų185151.2 Ų151.280%0.80472%0.723SS**  trans-86.495.7163.7-69.6-175.1-177.7177.30108.7E452 R456E452-K454 VanDerWaalsContact C-N 3.33Å; E452-K454 PolarHBondContact O-N 3.26Å; K454-R456 PolarHBondContact O-N 2.91Å
455K60.7Low65.3Low141 Ų141153.5 Ų153.561%0.61373%0.731SS**  trans-53.8127.5173.5-166.3172.2-175.9174.30108.1Y453 L457Y453-K455 PolarHBondContact O-N 3.03Å; K455-L457 PolarHBondContact O-N 2.86Å
456R49.8Very low65.9Low223 Ų223148.1 Ų148.184%0.84271%0.71SS**  trans-65110.2169.1-67.7-177.4-178.9174.74.2106K454 T458K454-R456 PolarHBondContact O-N 2.91Å; R456-T458 VanDerWaalsContact C-N 3.33Å; R456-T458 PolarHBondContact O-N 3.41Å
457L53.8Low66.9Low166 Ų166146.2 Ų146.287%0.86970%0.699SS**  trans-57.8101.1168.8-93.2114000108.1K455K455-L457 PolarHBondContact O-N 2.86Å
458T56.4Low68Low107 Ų107143.3 Ų143.366%0.65669%0.692SS**  trans-80121.4164.945.90000106.9R456 D460R456-T458 VanDerWaalsContact C-N 3.33Å; R456-T458 PolarHBondContact O-N 3.41Å; T458-D460 PolarHBondContact O-N 2.86Å
459L72.3Confident69.6Low143 Ų143140.4 Ų140.475%0.74969%0.69SS**  trans-71.8111.3176.9-178.868.2000108.4H461L459-H461 PolarHBondContact O-N 3.39Å
460D70.5Confident71.3Confident130 Ų130139.9 Ų139.970%0.69568%0.684SS**  trans-65.8129.2175.6-64.8-28000110T458 E462T458-D460 PolarHBondContact O-N 2.86Å; D460-E462 VanDerWaalsContact C-N 3.33Å
461H78.6Confident72.6Confident179 Ų179139.8 Ų139.883%0.82967%0.674SS**  trans-901.7-179.8-69.7-50.2000113.3L459L459-H461 PolarHBondContact O-N 3.39Å
462E84.1Confident74.3Confident160 Ų160138.2 Ų138.275%0.74867%0.668SS**SBendtrans-77.4148174.9-61.7-170.4172.700110.9D460 S464D460-E462 VanDerWaalsContact C-N 3.33Å; E462-S464 PolarHBondContact O-N 3.46Å
463K83.3Confident76.1Confident203 Ų203136.9 Ų136.988%0.88366%0.662SS**PPolyproline II helixtrans-64.4132.5176.3-65.6178.1-178176.80108.9K465K463-K465 PolarHBondContact O-N 3.42Å
464S82.3Confident77.9Confident91 Ų91130 Ų13064%0.63664%0.637SS**PPolyproline II helixtrans-58.3130-179.258.40000111E462 L466E462-S464 PolarHBondContact O-N 3.46Å; S464-L466 PolarHBondContact O-N 2.96Å; S464-L466 PolarHBondContact OG-O 3.19Å
465K88.3Confident79.3Confident198 Ų198126 Ų12686%0.86162%0.621SS**SBendtrans-71.5-22.4175.6-64.5176.9-176.2171.50112.3K463K463-K465 PolarHBondContact O-N 3.42Å
466L87.6Confident80.6Confident64 Ų64126.6 Ų126.634%0.33562%0.621SS.*SBendtrans-94.5147.3-178.9-51.7-179.9000111.2S464 E470 I471S464-L466 PolarHBondContact O-N 2.96Å; S464-L466 PolarHBondContact OG-O 3.19Å; L466-E470 HydrophobicContact CB-CG 4.49Å; L466-I471 HydrophobicContact CB-CG1 4.09Å
467S90.8Very high82.3Confident74 Ų74119.4 Ų119.452%0.51760%0.599SS.*  trans-74.2153.2173.8-178.20000110.9A469 E470 I471S467-A469 PolarHBondContact O-N 3.38Å; S467-E470 PolarHBondContact N-OE2 3.22Å; S467-E470 WeakPolarHBondContact O-CB 3.47Å; S467-E470 PolarHBondContact O-N 2.88Å; S467-I471 WeakPolarHBondContact O-CG1 3.46Å; S467-I471 PolarHBondContact O-N 3.33Å
468L86.5Confident83.5Confident114 Ų114118.3 Ų118.360%0.59759%0.587SS**Hα-helixtrans-55.9-37.6177.5-177.164.5000112.2E470 I471 Y472L468-E470 VanDerWaalsContact C-N 3.34Å; L468-I471 PolarHBondContact O-N 3.18Å; L468-Y472 HydrophobicContact CD1-CD2 4.21Å; L468-Y472 HydrophobicContact CD1-CE2 3.65Å; L468-Y472 HydrophobicContact CD2-CE2 4.12Å; L468-Y472 HydrophobicContact CG-CD2 3.99Å; L468-Y472 HydrophobicContact CG-CE2 3.61Å; L468-Y472 WeakPolarHBondContact O-CD2 3.44Å; L468-Y472 PolarHBondContact O-N 3.03Å; L468-Y472 VanDerWaalsContact O-N 3.15Å
469A89.6Confident84.3Confident69 Ų69119.2 Ų119.257%0.5759%0.587SS**Hα-helixtrans-65.2-37.7177.700000112.6S467 Y472 E473S467-A469 PolarHBondContact O-N 3.38Å; A469-Y472 PolarHBondContact O-N 2.99Å; A469-E473 PolarHBondContact O-N 3.3Å
470E90.1Very high84.4Confident76 Ų76117.5 Ų117.536%0.35558%0.579SS.*Hα-helixtrans-72-36.8179-175.9177-168.600111.4L466 S467 L468 Y472 E473 Q474L466-E470 HydrophobicContact CB-CG 4.49Å; S467-E470 PolarHBondContact N-OE2 3.22Å; S467-E470 WeakPolarHBondContact O-CB 3.47Å; S467-E470 PolarHBondContact O-N 2.88Å; L468-E470 VanDerWaalsContact C-N 3.34Å; E470-Y472 VanDerWaalsContact C-N 3.32Å; E470-Y472 PolarHBondContact O-N 3.14Å; E470-E473 PolarHBondContact O-N 2.89Å; E470-Q474 WeakPolarHBondContact O-CB 3.42Å; E470-Q474 VanDerWaalsContact O-CG 3.25Å; E470-Q474 WeakPolarHBondContact O-CG 3.46Å; E470-Q474 PolarHBondContact O-N 3.41Å
471I89.6Confident84.3Confident65 Ų65116.7 Ų116.733%0.33357%0.571SS.*Hα-helixtrans-60.2-44.1172-64.9168.5000110.3L466 S467 L468 Q474 E475L466-I471 HydrophobicContact CB-CG1 4.09Å; S467-I471 WeakPolarHBondContact O-CG1 3.46Å; S467-I471 PolarHBondContact O-N 3.33Å; L468-I471 PolarHBondContact O-N 3.18Å; I471-Q474 PolarHBondContact O-N 3.07Å; I471-E475 VanDerWaalsContact O-CB 3.29Å; I471-E475 WeakPolarHBondContact O-CB 3.36Å; I471-E475 PolarHBondContact O-N 2.9Å
472Y90.3Very high82.9Confident145 Ų145117.1 Ų117.157%0.56957%0.573SS**Hα-helixtrans-66.2-38.3176.8-79.2-62.3000113L468 A469 E470 Y476L468-Y472 HydrophobicContact CD1-CD2 4.21Å; L468-Y472 HydrophobicContact CD1-CE2 3.65Å; L468-Y472 HydrophobicContact CD2-CE2 4.12Å; L468-Y472 HydrophobicContact CG-CD2 3.99Å; L468-Y472 HydrophobicContact CG-CE2 3.61Å; L468-Y472 WeakPolarHBondContact O-CD2 3.44Å; L468-Y472 PolarHBondContact O-N 3.03Å; L468-Y472 VanDerWaalsContact O-N 3.15Å; A469-Y472 PolarHBondContact O-N 2.99Å; E470-Y472 VanDerWaalsContact C-N 3.32Å; E470-Y472 PolarHBondContact O-N 3.14Å; Y472-Y476 VanDerWaalsContact O-CB 3.25Å; Y472-Y476 WeakPolarHBondContact O-CB 3.38Å; Y472-Y476 PolarHBondContact O-N 3.44Å
473E89.5Confident81.4Confident125 Ų125119 Ų11958%0.58458%0.579SS**Hα-helixtrans-63.7-47.1175.3-179.4177-179.300111.3A469 E470 E475 Y476 I477A469-E473 PolarHBondContact O-N 3.3Å; E470-E473 PolarHBondContact O-N 2.89Å; E473-E475 PolarHBondContact O-N 3.05Å; E473-Y476 PolarHBondContact O-N 3.01Å; E473-I477 HydrophobicContact CG-CD1 3.97Å; E473-I477 VanDerWaalsContact O-CG1 3.29Å; E473-I477 WeakPolarHBondContact O-CG1 3.5Å; E473-I477 PolarHBondContact O-N 3.16Å
474Q87.9Confident79.5Confident71 Ų71115.2 Ų115.233%0.33257%0.573SS.*Hα-helixtrans-64-40.5177.1-70.6175.8400111.9E470 I471 I477 K478E470-Q474 WeakPolarHBondContact O-CB 3.42Å; E470-Q474 VanDerWaalsContact O-CG 3.25Å; E470-Q474 WeakPolarHBondContact O-CG 3.46Å; E470-Q474 PolarHBondContact O-N 3.41Å; I471-Q474 PolarHBondContact O-N 3.07Å; Q474-I477 PolarHBondContact O-N 2.79Å; Q474-K478 VanDerWaalsContact O-CB 3.28Å; Q474-K478 WeakPolarHBondContact O-CB 3.42Å; Q474-K478 WeakPolarHBondContact O-CG 3.42Å; Q474-K478 PolarHBondContact O-N 2.57Å
475E84.3Confident78.1Confident102 Ų102119.2 Ų119.248%0.47758%0.581SS.*Hα-helixtrans-65.1-39.8175-169.2178.3-175.800111.4I471 E473 K478 L479I471-E475 VanDerWaalsContact O-CB 3.29Å; I471-E475 WeakPolarHBondContact O-CB 3.36Å; I471-E475 PolarHBondContact O-N 2.9Å; E473-E475 PolarHBondContact O-N 3.05Å; E475-K478 PolarHBondContact O-N 2.66Å; E475-L479 HydrophobicContact CG-CD1 4.05Å; E475-L479 VanDerWaalsContact O-CB 3.3Å; E475-L479 WeakPolarHBondContact O-CB 3.42Å; E475-L479 WeakPolarHBondContact O-CD1 3.33Å; E475-L479 WeakPolarHBondContact O-CG 3.43Å; E475-L479 PolarHBondContact O-N 2.97Å
476Y86.8Confident76.5Confident153 Ų153117.2 Ų117.260%0.658%0.575SS**Hα-helixtrans-65.5-41.4176.6-175.4-102.7000112.5Y472 E473 L479 N480Y472-Y476 VanDerWaalsContact O-CB 3.25Å; Y472-Y476 WeakPolarHBondContact O-CB 3.38Å; Y472-Y476 PolarHBondContact O-N 3.44Å; E473-Y476 PolarHBondContact O-N 3.01Å; Y476-L479 PolarHBondContact O-N 2.87Å; Y476-N480 VanDerWaalsContact CE1-ND2 3.28Å; Y476-N480 WeakPolarHBondContact CE1-ND2 3.46Å; Y476-N480 PolarHBondContact O-N 3.45Å; Y476-N480 VanDerWaalsContact O-N 3.12Å
477I85.3Confident75.3Confident73 Ų73123.1 Ų123.137%0.37460%0.601SS.*Hα-helixtrans-65.5-44.3174.4-66.8165.5000110.5E473 Q474 L479 N480 Q481E473-I477 HydrophobicContact CG-CD1 3.97Å; E473-I477 VanDerWaalsContact O-CG1 3.29Å; E473-I477 WeakPolarHBondContact O-CG1 3.5Å; E473-I477 PolarHBondContact O-N 3.16Å; Q474-I477 PolarHBondContact O-N 2.79Å; I477-L479 VanDerWaalsContact C-N 3.31Å; I477-L479 PolarHBondContact O-N 2.92Å; I477-N480 PolarHBondContact O-N 3.31Å; I477-Q481 HydrophobicContact CG2-CG 4.49Å; I477-Q481 WeakPolarHBondContact O-CG 3.38Å; I477-Q481 PolarHBondContact O-N 2.89Å
478K79.4Confident74Confident142 Ų142126.2 Ų126.262%0.61761%0.607SS**Hα-helixtrans-67.3-25.7176.5-74.1174.7-178.7-176.20113.9Q474 E475Q474-K478 VanDerWaalsContact O-CB 3.28Å; Q474-K478 WeakPolarHBondContact O-CB 3.42Å; Q474-K478 WeakPolarHBondContact O-CG 3.42Å; Q474-K478 PolarHBondContact O-N 2.57Å; E475-K478 PolarHBondContact O-N 2.66Å
479L74.3Confident73.6Confident127 Ų127124 Ų12467%0.66560%0.596SS**Hα-helixtrans-76.4-34173.1-86.5160.7000111.8E475 Y476 I477E475-L479 HydrophobicContact CG-CD1 4.05Å; E475-L479 VanDerWaalsContact O-CB 3.3Å; E475-L479 WeakPolarHBondContact O-CB 3.42Å; E475-L479 WeakPolarHBondContact O-CD1 3.33Å; E475-L479 WeakPolarHBondContact O-CG 3.43Å; E475-L479 PolarHBondContact O-N 2.97Å; Y476-L479 PolarHBondContact O-N 2.87Å; I477-L479 VanDerWaalsContact C-N 3.31Å; I477-L479 PolarHBondContact O-N 2.92Å
480N73Confident73.5Confident107 Ų107125 Ų12557%0.57260%0.596SS**Hα-helixtrans-83.1-29.7179.3-76.7-17.3000113.1Y476 I477 Q482Y476-N480 VanDerWaalsContact CE1-ND2 3.28Å; Y476-N480 WeakPolarHBondContact CE1-ND2 3.46Å; Y476-N480 PolarHBondContact O-N 3.45Å; Y476-N480 VanDerWaalsContact O-N 3.12Å; I477-N480 PolarHBondContact O-N 3.31Å; N480-Q482 PolarHBondContact O-N 3.22Å
481Q68.9Low73.4Confident113 Ų113128 Ų12853%0.52861%0.611SS.*SBendtrans-77.1114.7165.1-66.81744.100107.2I477 K483I477-Q481 HydrophobicContact CG2-CG 4.49Å; I477-Q481 WeakPolarHBondContact O-CG 3.38Å; I477-Q481 PolarHBondContact O-N 2.89Å; Q481-K483 PolarHBondContact O-N 3.44Å
482Q49.8Very low73.3Confident188 Ų188129.3 Ų129.388%0.87962%0.615SS**  trans-55.1117.4173.7-73.1178.9-4.800108.3N480 T484N480-Q482 PolarHBondContact O-N 3.22Å; Q482-T484 PolarHBondContact O-N 3.32Å
483K51.6Low73.2Confident199 Ų199124.2 Ų124.287%0.86560%0.599SS**  trans-20.989.2178-64176.1179.4-179.40113.1Q481 E485Q481-K483 PolarHBondContact O-N 3.44Å; K483-E485 PolarHBondContact O-N 2.92Å
484T44.4Very low73.5Confident124 Ų124123.9 Ų123.976%0.76160%0.598SS**  trans-66.6126.8150.929.10000105.9Q482Q482-T484 PolarHBondContact O-N 3.32Å
485E51.7Low73.8Confident175 Ų175125 Ų12582%0.81861%0.605SS**  trans-50.8146.9-177.3-66.3166.7161.400110.1K483 E487K483-E485 PolarHBondContact O-N 2.92Å; E485-E487 PolarHBondContact O-N 3.45Å
486E55.6Low74.1Confident156 Ų156125.5 Ų125.573%0.72961%0.607SS**  trans-45.8122.7-174.6-65.7172.6169.100110.2E488E486-E488 PolarHBondContact O-N 2.99Å
487E62Low74.4Confident188 Ų188124.9 Ų124.988%0.87961%0.607SS**  trans-46.2114.9-178.4-67.8172.7169.900109.9E485 N489E485-E487 PolarHBondContact O-N 3.45Å; E487-N489 PolarHBondContact O-N 3.31Å
488E63Low74.9Confident139 Ų139126.9 Ų126.965%0.6562%0.617SS**  trans-50140.7163.4-66.6173.8166.200107.8E486 P490 V493E486-E488 PolarHBondContact O-N 2.99Å; E488-P490 VanDerWaalsContact O-N 3.1Å; E488-V493 HydrophobicContact CB-CG2 4.16Å
489N79.4Confident75.6Confident66 Ų66124.4 Ų124.435%0.35361%0.609SS.*  trans-57.1127.4-179-55.6-59.9000107.6E487 E491 H492 V493E487-N489 PolarHBondContact O-N 3.31Å; N489-E491 PolarHBondContact O-N 3.09Å; N489-E491 VanDerWaalsContact O-N 3.07Å; N489-H492 PolarHBondContact ND2-CD2 3.41Å; N489-H492 PolarHBondContact ND2-NE2 3.41Å; N489-H492 WeakPolarHBondContact O-CB 3.19Å; N489-H492 PolarHBondContact O-N 3.08Å; N489-V493 PolarHBondContact O-N 2.88Å
490P86.3Confident76.5Confident90 Ų90121.9 Ų121.958%0.58460%0.595SS**Hα-helixtrans-58.6-29.4-175.322.1-33.4000112E488 H492 V493 E494E488-P490 VanDerWaalsContact O-N 3.1Å; P490-H492 VanDerWaalsContact C-N 3.33Å; P490-H492 PolarHBondContact O-N 2.98Å; P490-V493 PolarHBondContact O-N 2.85Å; P490-E494 WeakPolarHBondContact O-CG 3.12Å; P490-E494 PolarHBondContact O-N 3.1Å
491E88.9Confident77.6Confident140 Ų140119.6 Ų119.665%0.65459%0.588SS**Hα-helixtrans-58.9-38.5172.7-62.2178.8179.600112.9N489 E494 I495N489-E491 PolarHBondContact O-N 3.09Å; N489-E491 VanDerWaalsContact O-N 3.07Å; E491-E494 PolarHBondContact O-N 2.84Å; E491-I495 WeakPolarHBondContact O-CB 3.4Å; E491-I495 WeakPolarHBondContact O-CD1 3.06Å; E491-I495 WeakPolarHBondContact O-CG1 3.17Å; E491-I495 PolarHBondContact O-N 3.45Å
492H86.6Confident78.9Confident92 Ų92118.1 Ų118.143%0.42658%0.583SS.*Hα-helixtrans-68.4-42.8177-68.8-46.2000111.3N489 P490 E494 I495 E496N489-H492 PolarHBondContact ND2-CD2 3.41Å; N489-H492 PolarHBondContact ND2-NE2 3.41Å; N489-H492 WeakPolarHBondContact O-CB 3.19Å; N489-H492 PolarHBondContact O-N 3.08Å; P490-H492 VanDerWaalsContact C-N 3.33Å; P490-H492 PolarHBondContact O-N 2.98Å; H492-E494 VanDerWaalsContact C-N 3.28Å; H492-E494 PolarHBondContact O-N 2.72Å; H492-I495 PolarHBondContact O-N 2.64Å; H492-E496 WeakPolarHBondContact O-CG 3.42Å; H492-E496 PolarHBondContact O-N 2.77Å
493V89.8Confident80.9Confident39 Ų39112.5 Ų112.524%0.23656%0.556CS.*Hα-helixtrans-63.1-37.5176.5-179.80000111E488 N489 P490 K497E488-V493 HydrophobicContact CB-CG2 4.16Å; N489-V493 PolarHBondContact O-N 2.88Å; P490-V493 PolarHBondContact O-N 2.85Å; V493-K497 HydrophobicContact CG1-CD 4.37Å; V493-K497 VanDerWaalsContact O-CG 3.26Å; V493-K497 WeakPolarHBondContact O-CG 3.37Å; V493-K497 PolarHBondContact O-N 2.93Å; V493-K497 VanDerWaalsContact O-N 3.1Å
494E93.9Very high82.9Confident118 Ų118108.7 Ų108.755%0.55154%0.544SS*.Hα-helixtrans-66-44.2173.9-74.4176-169.900112P490 E491 H492 K497 M498P490-E494 WeakPolarHBondContact O-CG 3.12Å; P490-E494 PolarHBondContact O-N 3.1Å; E491-E494 PolarHBondContact O-N 2.84Å; H492-E494 VanDerWaalsContact C-N 3.28Å; H492-E494 PolarHBondContact O-N 2.72Å; E494-K497 PolarHBondContact O-N 3.1Å; E494-M498 WeakPolarHBondContact O-CG 3.19Å; E494-M498 PolarHBondContact O-N 2.79Å
495I94.2Very high85.3Confident94 Ų94109.4 Ų109.448%0.48254%0.539SS..Hα-helixtrans-62.2-44.9176.3-69.4162.6000110.9E491 H492 K497 M498 M499E491-I495 WeakPolarHBondContact O-CB 3.4Å; E491-I495 WeakPolarHBondContact O-CD1 3.06Å; E491-I495 WeakPolarHBondContact O-CG1 3.17Å; E491-I495 PolarHBondContact O-N 3.45Å; H492-I495 PolarHBondContact O-N 2.64Å; I495-K497 PolarHBondContact O-N 3.08Å; I495-M498 HydrophobicContact CG1-CE 4.17Å; I495-M498 PolarHBondContact O-N 3.22Å; I495-M499 WeakPolarHBondContact O-CB 3.37Å; I495-M499 PolarHBondContact O-N 3.41Å
496E90.6Very high87.3Confident112 Ų112105.1 Ų105.152%0.52352%0.522SS..Hα-helixtrans-59.6-45.7177.4-76.9175.7-175.400111.7H492 M498 M499 D500H492-E496 WeakPolarHBondContact O-CG 3.42Å; H492-E496 PolarHBondContact O-N 2.77Å; E496-M498 PolarHBondContact O-N 3.32Å; E496-M499 WeakPolarHBondContact O-CB 3.23Å; E496-M499 PolarHBondContact O-N 3.25Å; E496-D500 WeakPolarHBondContact O-CB 3.38Å; E496-D500 PolarHBondContact O-N 3.46Å
497K94.5Very high89.1Confident140 Ų14098.9 Ų98.961%0.60949%0.493SS*.Hα-helixtrans-61.1-44.4175.6-73.3170-177171.10112.4V493 E494 I495 M499 S501V493-K497 HydrophobicContact CG1-CD 4.37Å; V493-K497 VanDerWaalsContact O-CG 3.26Å; V493-K497 WeakPolarHBondContact O-CG 3.37Å; V493-K497 PolarHBondContact O-N 2.93Å; V493-K497 VanDerWaalsContact O-N 3.1Å; E494-K497 PolarHBondContact O-N 3.1Å; I495-K497 PolarHBondContact O-N 3.08Å; K497-M499 VanDerWaalsContact C-N 3.32Å; K497-S501 WeakPolarHBondContact O-CB 3.32Å; K497-S501 PolarHBondContact O-N 3.05Å; K497-S501 PolarHBondContact O-OG 2.64Å
498M95.9Very high90.7Very high116 Ų11692.3 Ų92.357%0.57147%0.471SS*.Hα-helixtrans-63.1-42.4176.5-73.3-172-66.600110.9E494 I495 E496 S501 L502E494-M498 WeakPolarHBondContact O-CG 3.19Å; E494-M498 PolarHBondContact O-N 2.79Å; I495-M498 HydrophobicContact CG1-CE 4.17Å; I495-M498 PolarHBondContact O-N 3.22Å; E496-M498 PolarHBondContact O-N 3.32Å; M498-S501 PolarHBondContact O-N 3.33Å; M498-S501 PolarHBondContact O-OG 2.81Å; M498-L502 WeakPolarHBondContact O-CB 3.24Å; M498-L502 PolarHBondContact O-N 3.41Å
499M93.9Very high92.2Very high90 Ų9092.5 Ų92.544%0.44348%0.476SS..Hα-helixtrans-64.1-46.6179.8-171.565.412800111.8I495 E496 K497 S501 L502 F503I495-M499 WeakPolarHBondContact O-CB 3.37Å; I495-M499 PolarHBondContact O-N 3.41Å; E496-M499 WeakPolarHBondContact O-CB 3.23Å; E496-M499 PolarHBondContact O-N 3.25Å; K497-M499 VanDerWaalsContact C-N 3.32Å; M499-S501 VanDerWaalsContact C-N 3.33Å; M499-S501 PolarHBondContact O-N 3.14Å; M499-L502 PolarHBondContact O-N 2.85Å; M499-F503 HydrophobicContact CE-CE2 3.74Å; M499-F503 HydrophobicContact CE-CZ 3.5Å; M499-F503 HydrophobicContact CG-CD2 3.67Å; M499-F503 HydrophobicContact CG-CE2 3.23Å; M499-F503 HydrophobicContact CG-CZ 3.91Å; M499-F503 WeakPolarHBondContact O-CB 3.33Å; M499-F503 VanDerWaalsContact O-CD2 3.32Å; M499-F503 WeakPolarHBondContact O-CD2 3.27Å; M499-F503 WeakPolarHBondContact O-CG 3.09Å; M499-F503 PolarHBondContact O-N 3.07Å; M499-F503 HydrophobicContact SD-CD2 4.07Å; M499-F503 HydrophobicContact SD-CE1 4.05Å; M499-F503 HydrophobicContact SD-CE2 3.38Å; M499-F503 WeakPolarHBondContact SD-CE2 3.37Å; M499-F503 HydrophobicContact SD-CZ 3.36Å; M499-F503 WeakPolarHBondContact SD-CZ 3.49Å
500D93Very high92.9Very high73 Ų7391.6 Ų91.639%0.3947%0.474SS..Hα-helixtrans-63-41175.5-77.3-26.5000111.7E496 L502 L504 K517E496-D500 WeakPolarHBondContact O-CB 3.38Å; E496-D500 PolarHBondContact O-N 3.46Å; D500-L502 VanDerWaalsContact C-N 3.33Å; D500-L502 PolarHBondContact O-N 2.99Å; D500-L504 WeakPolarHBondContact O-CB 3.5Å; D500-L504 WeakPolarHBondContact O-CG 3.36Å; D500-L504 PolarHBondContact O-N 2.99Å; D500-K517 IonicContact OD1-NZ 3.95Å; D500-K517 PolarHBondContact OD1-NZ 3.49Å
501S96.3Very high93.1Very high59 Ų5993.3 Ų93.341%0.41348%0.479SS..Hα-helixtrans-63.6-38.8176.277.30000112.6K497 M498 M499 Q505K497-S501 WeakPolarHBondContact O-CB 3.32Å; K497-S501 PolarHBondContact O-N 3.05Å; K497-S501 PolarHBondContact O-OG 2.64Å; M498-S501 PolarHBondContact O-N 3.33Å; M498-S501 PolarHBondContact O-OG 2.81Å; M499-S501 VanDerWaalsContact C-N 3.33Å; M499-S501 PolarHBondContact O-N 3.14Å; S501-Q505 WeakPolarHBondContact O-CG 3.02Å; S501-Q505 PolarHBondContact O-N 3.32Å
502L95.3Very high93.2Very high82 Ų8293.1 Ų93.143%0.42948%0.476SS..Hα-helixtrans-71.3-45.4179.2-179.1154.1000110.9M498 M499 D500 L504 Q505 L506M498-L502 WeakPolarHBondContact O-CB 3.24Å; M498-L502 PolarHBondContact O-N 3.41Å; M499-L502 PolarHBondContact O-N 2.85Å; D500-L502 VanDerWaalsContact C-N 3.33Å; D500-L502 PolarHBondContact O-N 2.99Å; L502-L504 PolarHBondContact O-N 2.97Å; L502-Q505 WeakPolarHBondContact O-CB 3.24Å; L502-Q505 PolarHBondContact O-N 2.9Å; L502-Q505 VanDerWaalsContact O-N 3.11Å; L502-L506 HydrophobicContact CD2-CD1 3.42Å; L502-L506 VanDerWaalsContact CD2-CD1 3.42Å; L502-L506 HydrophobicContact CD2-CG 3.94Å; L502-L506 HydrophobicContact CG-CD1 4.5Å; L502-L506 WeakPolarHBondContact O-CG 3.49Å; L502-L506 PolarHBondContact O-N 3.49Å
503F92.6Very high93.4Very high71 Ų7196.6 Ų96.631%0.31149%0.492SS..Hα-helixtrans-63.3-41.6177.5-70.9-39.2000111.9M499 Q505 L506 D507M499-F503 HydrophobicContact CE-CE2 3.74Å; M499-F503 HydrophobicContact CE-CZ 3.5Å; M499-F503 HydrophobicContact CG-CD2 3.67Å; M499-F503 HydrophobicContact CG-CE2 3.23Å; M499-F503 HydrophobicContact CG-CZ 3.91Å; M499-F503 WeakPolarHBondContact O-CB 3.33Å; M499-F503 VanDerWaalsContact O-CD2 3.32Å; M499-F503 WeakPolarHBondContact O-CD2 3.27Å; M499-F503 WeakPolarHBondContact O-CG 3.09Å; M499-F503 PolarHBondContact O-N 3.07Å; M499-F503 HydrophobicContact SD-CD2 4.07Å; M499-F503 HydrophobicContact SD-CE1 4.05Å; M499-F503 HydrophobicContact SD-CE2 3.38Å; M499-F503 WeakPolarHBondContact SD-CE2 3.37Å; M499-F503 HydrophobicContact SD-CZ 3.36Å; M499-F503 WeakPolarHBondContact SD-CZ 3.49Å; F503-Q505 PolarHBondContact O-N 3.18Å; F503-L506 PolarHBondContact O-N 3.04Å; F503-L506 VanDerWaalsContact O-N 3.17Å; F503-D507 VanDerWaalsContact O-CB 3.27Å; F503-D507 WeakPolarHBondContact O-CB 3.31Å; F503-D507 PolarHBondContact O-N 3.2Å
504L92.6Very high93.4Very high118 Ų11898.8 Ų98.862%0.61850%0.498SS*.Hα-helixtrans-57.6-36173.1-73.4170.4000112.6D500 L502 A508D500-L504 WeakPolarHBondContact O-CB 3.5Å; D500-L504 WeakPolarHBondContact O-CG 3.36Å; D500-L504 PolarHBondContact O-N 2.99Å; L502-L504 PolarHBondContact O-N 2.97Å; L504-A508 WeakPolarHBondContact O-CB 3.42Å; L504-A508 PolarHBondContact O-N 3.34Å; L504-A508 VanDerWaalsContact O-N 3.14Å
505Q95.4Very high93Very high139 Ų139100.7 Ų100.765%0.6551%0.511SS*.Hα-helixtrans-73-41.4176.4-71174.54.900112.7S501 L502 F503 A508 L509S501-Q505 WeakPolarHBondContact O-CG 3.02Å; S501-Q505 PolarHBondContact O-N 3.32Å; L502-Q505 WeakPolarHBondContact O-CB 3.24Å; L502-Q505 PolarHBondContact O-N 2.9Å; L502-Q505 VanDerWaalsContact O-N 3.11Å; F503-Q505 PolarHBondContact O-N 3.18Å; Q505-A508 PolarHBondContact O-N 2.94Å; Q505-L509 WeakPolarHBondContact O-CB 3.48Å; Q505-L509 PolarHBondContact O-N 3.47Å
506L93.5Very high92.7Very high86 Ų86100.9 Ų100.945%0.4552%0.518SS..Hα-helixtrans-69-38.7177.1-69.3-175.8000112.2L502 F503 A508 L509 S510L502-L506 HydrophobicContact CD2-CD1 3.42Å; L502-L506 VanDerWaalsContact CD2-CD1 3.42Å; L502-L506 HydrophobicContact CD2-CG 3.94Å; L502-L506 HydrophobicContact CG-CD1 4.5Å; L502-L506 WeakPolarHBondContact O-CG 3.49Å; L502-L506 PolarHBondContact O-N 3.49Å; F503-L506 PolarHBondContact O-N 3.04Å; F503-L506 VanDerWaalsContact O-N 3.17Å; L506-A508 VanDerWaalsContact C-N 3.33Å; L506-L509 PolarHBondContact O-N 2.91Å; L506-S510 WeakPolarHBondContact O-CB 3.49Å; L506-S510 PolarHBondContact O-N 2.98Å; L506-S510 PolarHBondContact O-OG 3.42Å
507D94Very high92.4Very high24 Ų24101.2 Ų101.213%0.12852%0.518CS..Hα-helixtrans-63.5-42.6175.6-65.5-10.5000109.6F503 S510 N511 F512 F514F503-D507 VanDerWaalsContact O-CB 3.27Å; F503-D507 WeakPolarHBondContact O-CB 3.31Å; F503-D507 PolarHBondContact O-N 3.2Å; D507-S510 WeakPolarHBondContact CA-OG 3.45Å; D507-S510 PolarHBondContact O-N 3.48Å; D507-S510 PolarHBondContact O-OG 2.88Å; D507-N511 PolarHBondContact O-N 2.95Å; D507-F512 HydrophobicContact CB-CD1 4.05Å; D507-F512 HydrophobicContact CB-CE1 4.21Å; D507-F512 WeakPolarHBondContact O-CA 3.35Å; D507-F512 PolarHBondContact O-N 3.34Å; D507-F514 HydrophobicContact CB-CD1 3.85Å; D507-F514 HydrophobicContact CB-CE1 3.92Å; D507-F514 HydrophobicContact CB-CG 4.35Å; D507-F514 HydrophobicContact CB-CZ 4.43Å; D507-F514 WeakPolarHBondContact OD1-CD2 3.47Å; D507-F514 WeakPolarHBondContact OD1-CG 3.12Å
508A94.8Very high91.9Very high50 Ų5099.5 Ų99.541%0.41352%0.521SS..Hα-helixtrans-65.7-39173.800000112.9L504 Q505 L506 S510 N511 F512L504-A508 WeakPolarHBondContact O-CB 3.42Å; L504-A508 PolarHBondContact O-N 3.34Å; L504-A508 VanDerWaalsContact O-N 3.14Å; Q505-A508 PolarHBondContact O-N 2.94Å; L506-A508 VanDerWaalsContact C-N 3.33Å; A508-S510 VanDerWaalsContact C-N 3.3Å; A508-S510 PolarHBondContact O-N 3.28Å; A508-N511 PolarHBondContact O-N 3.22Å; A508-F512 HydrophobicContact CB-CZ 4.32Å
509L95.2Very high91.2Very high144 Ų14499.9 Ų99.975%0.75453%0.532SS*.Hα-helixtrans-64.3-34.7176.9-168.590.1000112.1Q505 L506 N511Q505-L509 WeakPolarHBondContact O-CB 3.48Å; Q505-L509 PolarHBondContact O-N 3.47Å; L506-L509 PolarHBondContact O-N 2.91Å; L509-N511 PolarHBondContact O-N 3.19Å
510S92.9Very high90.6Very high46 Ų4699.9 Ų99.932%0.32254%0.537SS..THydrogen-bonded Turntrans-85.112.3178.160.10000113.7L506 D507 A508 F512 H513L506-S510 WeakPolarHBondContact O-CB 3.49Å; L506-S510 PolarHBondContact O-N 2.98Å; L506-S510 PolarHBondContact O-OG 3.42Å; D507-S510 WeakPolarHBondContact CA-OG 3.45Å; D507-S510 PolarHBondContact O-N 3.48Å; D507-S510 PolarHBondContact O-OG 2.88Å; A508-S510 VanDerWaalsContact C-N 3.3Å; A508-S510 PolarHBondContact O-N 3.28Å; S510-F512 PolarHBondContact O-N 2.9Å; S510-H513 WeakPolarHBondContact O-CB 3.33Å; S510-H513 PolarHBondContact O-N 3.48Å
511N91.2Very high90Very high126 Ų126100.3 Ų100.367%0.67454%0.544SS*.THydrogen-bonded Turntrans53.432.9-173.6-65.3-25.5000113.1D507 A508 L509 H513D507-N511 PolarHBondContact O-N 2.95Å; A508-N511 PolarHBondContact O-N 3.22Å; L509-N511 PolarHBondContact O-N 3.19Å; N511-H513 PolarHBondContact O-N 2.91Å
512F90.3Very high89.3Confident136 Ų136104.4 Ų104.460%0.59656%0.557SS**THydrogen-bonded Turntrans61.522.9-175.6-58.8-83.6000114.9D507 A508 S510 F514D507-F512 HydrophobicContact CB-CD1 4.05Å; D507-F512 HydrophobicContact CB-CE1 4.21Å; D507-F512 WeakPolarHBondContact O-CA 3.35Å; D507-F512 PolarHBondContact O-N 3.34Å; A508-F512 HydrophobicContact CB-CZ 4.32Å; S510-F512 PolarHBondContact O-N 2.9Å; F512-F514 HydrophobicContact CB-CD1 4.43Å; F512-F514 HydrophobicContact CB-CE1 4.2Å; F512-F514 HydrophobicContact CD1-CE1 4.02Å; F512-F514 WeakPolarHBondContact O-CD1 3.39Å; F512-F514 PolarHBondContact O-N 3.2Å
513H92.3Very high88.7Confident166 Ų166105.7 Ų105.777%0.76956%0.563SS**  trans-91.769.9168.3-63-61000111.1S510 N511S510-H513 WeakPolarHBondContact O-CB 3.33Å; S510-H513 PolarHBondContact O-N 3.48Å; N511-H513 PolarHBondContact O-N 2.91Å
514F87.9Confident88.3Confident84 Ų84110.1 Ų110.137%0.36858%0.582SS.*SBendtrans-124.5164.3-178.867.3-79.7000111.7D507 F512D507-F514 HydrophobicContact CB-CD1 3.85Å; D507-F514 HydrophobicContact CB-CE1 3.92Å; D507-F514 HydrophobicContact CB-CG 4.35Å; D507-F514 HydrophobicContact CB-CZ 4.43Å; D507-F514 WeakPolarHBondContact OD1-CD2 3.47Å; D507-F514 WeakPolarHBondContact OD1-CG 3.12Å; F512-F514 HydrophobicContact CB-CD1 4.43Å; F512-F514 HydrophobicContact CB-CE1 4.2Å; F512-F514 HydrophobicContact CD1-CE1 4.02Å; F512-F514 WeakPolarHBondContact O-CD1 3.39Å; F512-F514 PolarHBondContact O-N 3.2Å
515I87.4Confident88Confident158 Ų158111.2 Ų111.281%0.8159%0.593SS**PPolyproline II helixtrans-79.4120.8174.2-59.8170.3000107.4
516P87.4Confident87.6Confident99 Ų99108.9 Ų108.964%0.64359%0.588SS**PPolyproline II helixtrans-59.5148.8-177.125.5-34.6000111.3
517K84.9Confident87.4Confident118 Ų118108 Ų10851%0.51359%0.59SS.*PPolyproline II helixtrans-53.1141.6177.2-66.2-177.3178.8-1780110.2D500D500-K517 IonicContact OD1-NZ 3.95Å; D500-K517 PolarHBondContact OD1-NZ 3.49Å
518P82.9Confident87.2Confident104 Ų104111.1 Ų111.168%0.67561%0.606SS**PPolyproline II helixtrans-59.6142.2178.325.9-34.2000110.2V520P518-V520 PolarHBondContact O-N 3.46Å
519P80.6Confident86.9Confident124 Ų124112.2 Ų112.281%0.80561%0.605SS**  trans-70.3104.1-175.727.7-34.1000110.4
520V81.6Confident86.6Confident90 Ų90108.5 Ų108.555%0.54559%0.589SS.*  trans-86.9134.9172.6179.90000108.7P518 E522P518-V520 PolarHBondContact O-N 3.46Å; V520-E522 PolarHBondContact O-N 3.38Å
521P81.2Confident86.3Confident83 Ų83107.2 Ų107.254%0.53958%0.581SS.*  trans-70100.2178.828-34.2000111.6
522E80.4Confident86.1Confident145 Ų145104.5 Ų104.568%0.67857%0.566SS**  trans-87125.9173.4-66.4177.2-173.800111.7V520 K524V520-E522 PolarHBondContact O-N 3.38Å; E522-K524 PolarHBondContact O-N 2.93Å; E522-K524 WeakPolarHBondContact OE2-CE 3.43Å; E522-K524 IonicContact OE2-NZ 2.83Å
523I83.2Confident85.9Confident109 Ų109102 Ų10256%0.55956%0.562SS**  trans-88.6106.8175.7-55.2172.6000108.9A450 Y451 V525A450-I523 HydrophobicContact CB-CD1 4.29Å; Y451-I523 HydrophobicContact CE2-CD1 4.19Å; Y451-I523 WeakPolarHBondContact OH-CD1 3.23Å; I523-V525 HydrophobicContact CG2-CG2 4.49Å
524K85.1Confident85.5Confident164 Ų164100.6 Ų100.671%0.71356%0.557SS**  trans-96.9113.4174.6-65.2-179.6-177.61760110.2E522 V526E522-K524 PolarHBondContact O-N 2.93Å; E522-K524 WeakPolarHBondContact OE2-CE 3.43Å; E522-K524 IonicContact OE2-NZ 2.83Å; K524-V526 PolarHBondContact O-N 2.93Å
525V86.2Confident85.3Confident141 Ų141100.6 Ų100.686%0.85556%0.558SS**  trans-86.2104.6176.1-1780000109I523I523-V525 HydrophobicContact CG2-CG2 4.49Å
526V87.1Confident85.2Confident89 Ų89101.6 Ų101.654%0.53956%0.56SS.*  trans-89.1132.3176.2-177.30000109.6K524 L547K524-V526 PolarHBondContact O-N 2.93Å; V526-L547 HydrophobicContact CG1-CB 4.08Å; V526-L547 HydrophobicContact CG1-CD1 4.37Å
527S89.1Confident85Confident69 Ų69104.6 Ų104.648%0.48358%0.576SS.*  trans-95.7150.5175.962.40000111.2L529S527-L529 VanDerWaalsContact C-N 3.28Å; S527-L529 PolarHBondContact O-N 3.25Å; S527-L529 WeakPolarHBondContact OG-CD1 3.47Å; S527-L529 WeakPolarHBondContact OG-CG 3.44Å
528N89.3Confident84.9Confident89 Ų89101.8 Ų101.848%0.47658%0.575SS.*  trans-75.878.2179.7-173.616.7000111L548N528-L548 HydrophobicContact CB-CB 4.07Å; N528-L548 HydrophobicContact CB-CD2 4.2Å
529L88.3Confident84.9Confident73 Ų73103.5 Ų103.538%0.38259%0.586SS.*  trans-107.3153.9173.5-59.7174.7000109.9S527 T533 L547S527-L529 VanDerWaalsContact C-N 3.28Å; S527-L529 PolarHBondContact O-N 3.25Å; S527-L529 WeakPolarHBondContact OG-CD1 3.47Å; S527-L529 WeakPolarHBondContact OG-CG 3.44Å; L529-T533 WeakPolarHBondContact CB-OG1 3.47Å; L529-L547 HydrophobicContact CB-CD1 4.05Å; L529-L547 WeakPolarHBondContact O-CG 3.44Å; L529-L547 PolarHBondContact O-N 3.14Å
530P88.8Confident84.9Confident66 Ų66103.2 Ų103.243%0.42958%0.582SS.*BIsolated β-bridgetrans-63.5140.8169.126.4-31.7000110I532 T533P530-I532 PolarHBondContact O-N 2.97Å; P530-I532 VanDerWaalsContact O-N 3.11Å; P530-T533 HydrophobicContact CG-CG2 3.82Å; P530-T533 PolarHBondContact O-N 2.78Å; P530-T533 PolarHBondContact O-OG1 3Å
531A87.2Confident84.7Confident18 Ų18101.9 Ų101.915%0.14958%0.576CS.*G310 helixtrans-54.2-34.8-176.200000112.4T533 M534 E535 A545 L547A531-T533 PolarHBondContact O-N 2.76Å; A531-M534 PolarHBondContact O-N 3.33Å; A531-E535 PolarHBondContact O-N 3.41Å; A531-A545 VanDerWaalsContact CB-O 3.31Å; A531-A545 WeakPolarHBondContact CB-O 3.48Å; A531-A545 PolarHBondContact N-O 3Å; A531-L547 HydrophobicContact CB-CD2 4.43Å
532I86.3Confident84.3Confident69 Ų69104.6 Ų104.635%0.35459%0.591SS.*G310 helixtrans-48.5-34.1174-53.1176.1000112.9P530 M534 E535 S543P530-I532 PolarHBondContact O-N 2.97Å; P530-I532 VanDerWaalsContact O-N 3.11Å; I532-M534 VanDerWaalsContact C-N 3.29Å; I532-M534 PolarHBondContact O-N 3.3Å; I532-E535 PolarHBondContact O-N 2.93Å; I532-S543 VanDerWaalsContact CD1-O 3.24Å; I532-S543 WeakPolarHBondContact CD1-O 3.47Å; I532-S543 WeakPolarHBondContact CG1-O 3.41Å
533T86.8Confident84.2Confident83 Ų8399 Ų9951%0.50957%0.567SS.*G310 helixtrans-73.1-20.1-178.656.90000114.2L529 P530 A531L529-T533 WeakPolarHBondContact CB-OG1 3.47Å; P530-T533 HydrophobicContact CG-CG2 3.82Å; P530-T533 PolarHBondContact O-N 2.78Å; P530-T533 PolarHBondContact O-OG1 3Å; A531-T533 PolarHBondContact O-N 2.76Å
534M83.9Confident84.3Confident138 Ų138101.6 Ų101.668%0.6858%0.583SS**THydrogen-bonded Turntrans-93.4-17.9174.4-66.7-63.6-60.200112.3A531 I532 L547A531-M534 PolarHBondContact O-N 3.33Å; I532-M534 VanDerWaalsContact C-N 3.29Å; I532-M534 PolarHBondContact O-N 3.3Å; M534-L547 HydrophobicContact CG-CD1 3.54Å; M534-L547 HydrophobicContact CG-CD2 4.04Å; M534-L547 HydrophobicContact CG-CG 4.32Å; M534-L547 HydrophobicContact SD-CD1 4.39Å
535E84.1Confident84.4Confident84 Ų8496.7 Ų96.739%0.39357%0.573SS.*SBendtrans-72.4158.7177.8-69.2178.7-174.200111.4A531 I532 S543A531-E535 PolarHBondContact O-N 3.41Å; I532-E535 PolarHBondContact O-N 2.93Å; E535-S543 PolarHBondContact OE1-OG 3.11Å
536E84.6Confident84.6Confident179 Ų17992.4 Ų92.484%0.83655%0.552SS**  trans-63.8152.2174.1-62.5-176.6172.800110.8A538E536-A538 PolarHBondContact O-N 3.03Å
537V83.1Confident84.6Confident161 Ų16191.2 Ų91.298%0.97654%0.542SS*.  trans-74.974.9179-172.80000109.6
538A83.3Confident84.7Confident60 Ų6089.8 Ų89.850%0.49653%0.529SS..  trans-106.6144.7173.100000110.1E536 V540E536-A538 PolarHBondContact O-N 3.03Å; A538-V540 PolarHBondContact O-N 2.93Å; A538-V540 VanDerWaalsContact O-N 3.14Å
539P82.9Confident84.7Confident140 Ų14087.5 Ų87.591%0.90952%0.523SS*.SBendtrans-70.1-6.4-176.125.3-32.8000115
540V80.2Confident84.7Confident118 Ų11889 Ų8972%0.71554%0.537SS*.  trans-124.5103.1175.8-177.40000108.2A538 V542A538-V540 PolarHBondContact O-N 2.93Å; A538-V540 VanDerWaalsContact O-N 3.14Å; V540-V542 HydrophobicContact CG1-CG2 4.42Å
541S78.4Confident84.7Confident62 Ų6290.9 Ų90.943%0.43454%0.54SS..  trans-98.6139.5170610000109.6
542V72.1Confident84.8Confident139 Ų13996 Ų9684%0.84256%0.561SS**  trans-109.9-4.3-171.6-172.50000112.2V540V540-V542 HydrophobicContact CG1-CG2 4.42Å
543S79.3Confident85Confident27 Ų2797.5 Ų97.519%0.18957%0.568CS.*  trans-120.5125.9-168.968.30000114.2I532 E535I532-S543 VanDerWaalsContact CD1-O 3.24Å; I532-S543 WeakPolarHBondContact CD1-O 3.47Å; I532-S543 WeakPolarHBondContact CG1-O 3.41Å; E535-S543 PolarHBondContact OE1-OG 3.11Å
544D83.6Confident85.1Confident164 Ų164101 Ų10188%0.87758%0.577SS**  trans-97.73.7170.9-75.9-20.7000112.7
545A88Confident85.2Confident61 Ų61101.4 Ų101.450%0.50458%0.577SS.*  trans-74.3151.1-173.500000112.5A531A531-A545 VanDerWaalsContact CB-O 3.31Å; A531-A545 WeakPolarHBondContact CB-O 3.48Å; A531-A545 PolarHBondContact N-O 3Å
546A89.7Confident85.1Confident51 Ų51103.7 Ų103.742%0.42159%0.585SS.*BIsolated β-bridgetrans-90.6152.816900000110.7L548A546-L548 VanDerWaalsContact C-N 3.29Å; A546-L548 PolarHBondContact O-N 2.67Å
547L88.1Confident84.9Confident64 Ų6499.2 Ų99.234%0.33557%0.567SS.*SBendtrans-66.3-29.5179.5-69.1174.2000113.5V526 L529 A531 M534V526-L547 HydrophobicContact CG1-CB 4.08Å; V526-L547 HydrophobicContact CG1-CD1 4.37Å; L529-L547 HydrophobicContact CB-CD1 4.05Å; L529-L547 WeakPolarHBondContact O-CG 3.44Å; L529-L547 PolarHBondContact O-N 3.14Å; A531-L547 HydrophobicContact CB-CD2 4.43Å; M534-L547 HydrophobicContact CG-CD1 3.54Å; M534-L547 HydrophobicContact CG-CD2 4.04Å; M534-L547 HydrophobicContact CG-CG 4.32Å; M534-L547 HydrophobicContact SD-CD1 4.39Å
548L90.6Very high84.4Confident40 Ų40100.6 Ų100.621%0.20956%0.56CS.*SBendtrans-93.7131.5-176.7-160.274.6000110.3N528 A546 E552 I553N528-L548 HydrophobicContact CB-CB 4.07Å; N528-L548 HydrophobicContact CB-CD2 4.2Å; A546-L548 VanDerWaalsContact C-N 3.29Å; A546-L548 PolarHBondContact O-N 2.67Å; L548-E552 HydrophobicContact CD1-CB 3.7Å; L548-E552 HydrophobicContact CD1-CG 4.36Å; L548-E552 WeakPolarHBondContact CD1-OE2 3.5Å; L548-E552 HydrophobicContact CD2-CB 4.12Å; L548-E552 HydrophobicContact CG-CB 3.62Å; L548-E552 WeakPolarHBondContact CG-OE2 3.45Å; L548-I553 HydrophobicContact CB-CG1 4.23Å; L548-I553 HydrophobicContact CD2-CB 4.48Å; L548-I553 HydrophobicContact CD2-CG1 3.6Å; L548-I553 HydrophobicContact CG-CG1 4.07Å
549A89.5Confident83.6Confident41 Ų41102.1 Ų102.134%0.33957%0.572SS.*  trans-69.215217900000111.2E551 E552 I553A549-E551 PolarHBondContact O-N 3.12Å; A549-E552 HydrophobicContact CB-CG 4.23Å; A549-E552 PolarHBondContact N-OE2 2.9Å; A549-E552 WeakPolarHBondContact O-CB 3.32Å; A549-E552 PolarHBondContact O-N 3.47Å; A549-I553 WeakPolarHBondContact O-CG1 3.27Å; A549-I553 PolarHBondContact O-N 3.03Å
550P89.1Confident83.1Confident105 Ų10597.6 Ų97.668%0.68255%0.551SS**Hα-helixtrans-54.6-29.4174.8-2835.8000114.2K554P550-K554 PolarHBondContact O-N 3.38Å
551E88.6Confident82.9Confident104 Ų10498.6 Ų98.649%0.48655%0.553SS.*Hα-helixtrans-73.4-29.1177.9-56.1-173.2-160.100113.4A549 K554 E555 K556A549-E551 PolarHBondContact O-N 3.12Å; E551-K554 CarbonylContact C-O 3.32Å; E551-K554 WeakPolarHBondContact CA-O 3.42Å; E551-K554 CarbonylContact O-C 3.5Å; E551-K554 VanDerWaalsContact O-O 3.14Å; E551-E555 WeakPolarHBondContact O-CA 3.46Å; E551-E555 PolarHBondContact O-N 3.15Å; E551-K556 HydrophobicContact CG-CD 4.38Å; E551-K556 HydrophobicContact CG-CG 4.36Å; E551-K556 WeakPolarHBondContact OE1-CE 3.37Å; E551-K556 IonicContact OE1-NZ 3.79Å; E551-K556 PolarHBondContact OE1-NZ 3.01Å; E551-K556 WeakPolarHBondContact OE2-CE 3.32Å; E551-K556 IonicContact OE2-NZ 2.64Å; E551-K556 PolarHBondContact OE2-NZ 3.23Å
552E88.9Confident82.9Confident126 Ų126102.1 Ų102.159%0.58957%0.565SS**Hα-helixtrans-83.2-34.2176.2-65.9169.2155.500110.6L548 A549 K554L548-E552 HydrophobicContact CD1-CB 3.7Å; L548-E552 HydrophobicContact CD1-CG 4.36Å; L548-E552 WeakPolarHBondContact CD1-OE2 3.5Å; L548-E552 HydrophobicContact CD2-CB 4.12Å; L548-E552 HydrophobicContact CG-CB 3.62Å; L548-E552 WeakPolarHBondContact CG-OE2 3.45Å; A549-E552 HydrophobicContact CB-CG 4.23Å; A549-E552 PolarHBondContact N-OE2 2.9Å; A549-E552 WeakPolarHBondContact O-CB 3.32Å; A549-E552 PolarHBondContact O-N 3.47Å; E552-K554 VanDerWaalsContact C-N 3.34Å
553I89.3Confident83.4Confident100 Ų100101 Ų10151%0.51355%0.549SS..Hα-helixtrans-64-42.6169-63.2166.9000110L548 A549L548-I553 HydrophobicContact CB-CG1 4.23Å; L548-I553 HydrophobicContact CD2-CB 4.48Å; L548-I553 HydrophobicContact CD2-CG1 3.6Å; L548-I553 HydrophobicContact CG-CG1 4.07Å; A549-I553 WeakPolarHBondContact O-CG1 3.27Å; A549-I553 PolarHBondContact O-N 3.03Å
554K88.9Confident83.6Confident157 Ų157103.1 Ų103.168%0.68356%0.561SS**SBendtrans-143.8109.6179.5-175-179.5178.8-177.20110.4P550 E551 E552 K556P550-K554 PolarHBondContact O-N 3.38Å; E551-K554 CarbonylContact C-O 3.32Å; E551-K554 WeakPolarHBondContact CA-O 3.42Å; E551-K554 CarbonylContact O-C 3.5Å; E551-K554 VanDerWaalsContact O-O 3.14Å; E552-K554 VanDerWaalsContact C-N 3.34Å; K554-K556 PolarHBondContact O-N 3.39Å
555E86.3Confident83.5Confident146 Ų14698.9 Ų98.968%0.68255%0.548SS*.  trans-53.8133174.2-69.9-171.8-169.800110.9E551 N557E551-E555 WeakPolarHBondContact O-CA 3.46Å; E551-E555 PolarHBondContact O-N 3.15Å; E555-N557 PolarHBondContact O-N 3.43Å
556K83Confident83.5Confident132 Ų132100.6 Ų100.657%0.57456%0.563SS**  trans-59137.5168.4-63.7172.6172.2155.90109E551 K554 K558E551-K556 HydrophobicContact CG-CD 4.38Å; E551-K556 HydrophobicContact CG-CG 4.36Å; E551-K556 WeakPolarHBondContact OE1-CE 3.37Å; E551-K556 IonicContact OE1-NZ 3.79Å; E551-K556 PolarHBondContact OE1-NZ 3.01Å; E551-K556 WeakPolarHBondContact OE2-CE 3.32Å; E551-K556 IonicContact OE2-NZ 2.64Å; E551-K556 PolarHBondContact OE2-NZ 3.23Å; K554-K556 PolarHBondContact O-N 3.39Å; K556-K558 PolarHBondContact O-N 3.27Å
557N79.9Confident83.3Confident85 Ų85104.2 Ų104.246%0.45557%0.571SS.*  trans-62.8110.7169.6-64.5-41.8000108.6E555 A559 G560 I562E555-N557 PolarHBondContact O-N 3.43Å; N557-A559 PolarHBondContact O-N 2.95Å; N557-G560 VanDerWaalsContact CB-O 3.23Å; N557-G560 WeakPolarHBondContact CB-O 3.35Å; N557-G560 PolarHBondContact O-N 3.09Å; N557-I562 WeakPolarHBondContact ND2-CD1 3.44Å; N557-I562 WeakPolarHBondContact ND2-CG1 3.42Å
558K72.8Confident83.3Confident191 Ų191103.1 Ų103.183%0.8356%0.564SS**THydrogen-bonded Turntrans-56.4-12.3179.2-63.7177.1-177.6172.30114.2K556K556-K558 PolarHBondContact O-N 3.27Å
559A66.6Low83.2Confident91 Ų91105 Ų10575%0.75258%0.577SS**THydrogen-bonded Turntrans-104.56.2-179.800000113.8N557N557-A559 PolarHBondContact O-N 2.95Å
560G72.8Confident83.2Confident45 Ų45106.6 Ų106.646%0.46459%0.59SS.*SBendtrans71.9-140-17100000111.4N557 I562N557-G560 VanDerWaalsContact CB-O 3.23Å; N557-G560 WeakPolarHBondContact CB-O 3.35Å; N557-G560 PolarHBondContact O-N 3.09Å; G560-I562 PolarHBondContact O-N 3.3Å
561D76.6Confident83.3Confident140 Ų140106.7 Ų106.775%0.74959%0.588SS**SBendtrans-58.4134.3176.9-70-25000111.9K563D561-K563 VanDerWaalsContact C-N 3.31Å; D561-K563 PolarHBondContact O-N 3.31Å
562I77.6Confident83.3Confident135 Ų135103.9 Ų103.969%0.69258%0.577SS**  trans-71.290178.3-57.4167.7000108.1N557 G560N557-I562 WeakPolarHBondContact ND2-CD1 3.44Å; N557-I562 WeakPolarHBondContact ND2-CG1 3.42Å; G560-I562 PolarHBondContact O-N 3.3Å
563K82.1Confident83.3Confident116 Ų116102.4 Ų102.450%0.50457%0.568SS.*  trans-86.5128.5170.3-66.5-178-178176.50110.4D561 K568D561-K563 VanDerWaalsContact C-N 3.31Å; D561-K563 PolarHBondContact O-N 3.31Å; K563-K568 HydrophobicContact CB-CG 4.05Å; K563-K568 WeakPolarHBondContact O-CE 3.44Å
564T83.4Confident83.4Confident72 Ų72104 Ų10444%0.44257%0.572SS.*  trans-73.9158.2174.464.50000111A566 E567 K568T564-A566 PolarHBondContact O-N 3.46Å; T564-A566 VanDerWaalsContact O-N 3.1Å; T564-E567 PolarHBondContact N-OE2 3.22Å; T564-E567 PolarHBondContact O-N 3.17Å; T564-E567 VanDerWaalsContact O-N 3.08Å; T564-E567 WeakPolarHBondContact OG1-CG 3.49Å; T564-E567 PolarHBondContact OG1-OE2 3.11Å; T564-K568 WeakPolarHBondContact O-CG 3.22Å; T564-K568 PolarHBondContact O-N 3.28Å
565A82.6Confident83.5Confident74 Ų74105.6 Ų105.661%0.61257%0.573SS**THydrogen-bonded Turntrans-62.4-21.1-176.900000114K573A565-K573 WeakPolarHBondContact O-CE 3.5Å; A565-K573 PolarHBondContact O-NZ 2.88Å
566A86.6Confident83.6Confident98 Ų98101.2 Ų101.281%0.8155%0.553SS**THydrogen-bonded Turntrans-75.7-36.4175.500000112.2T564T564-A566 PolarHBondContact O-N 3.46Å; T564-A566 VanDerWaalsContact O-N 3.1Å
567E86.6Confident83.9Confident126 Ų126102.6 Ų102.659%0.58956%0.555SS**THydrogen-bonded Turntrans-81.7-17.8-179.1-65.2159166.300112.7T564 T569T564-E567 PolarHBondContact N-OE2 3.22Å; T564-E567 PolarHBondContact O-N 3.17Å; T564-E567 VanDerWaalsContact O-N 3.08Å; T564-E567 WeakPolarHBondContact OG1-CG 3.49Å; T564-E567 PolarHBondContact OG1-OE2 3.11Å; E567-T569 PolarHBondContact O-N 2.91Å
568K86.9Confident84.5Confident42 Ų42107.1 Ų107.118%0.18357%0.565CS.*SBendtrans-72.1122.6178.1-72.3-179.9178.5-178.20111.7K563 T564 K573 E576K563-K568 HydrophobicContact CB-CG 4.05Å; K563-K568 WeakPolarHBondContact O-CE 3.44Å; T564-K568 WeakPolarHBondContact O-CG 3.22Å; T564-K568 PolarHBondContact O-N 3.28Å; K568-K573 HydrophobicContact CB-CD 4.48Å; K568-K573 HydrophobicContact CB-CG 4Å; K568-K573 WeakPolarHBondContact O-CE 3.36Å; K568-K573 PolarHBondContact O-NZ 2.87Å; K568-E576 IonicContact NZ-OE1 2.92Å; K568-E576 PolarHBondContact NZ-OE1 3.49Å; K568-E576 IonicContact NZ-OE2 3.58Å; K568-E576 PolarHBondContact NZ-OE2 2.99Å
569T88.9Confident85.4Confident80 Ų80104.2 Ų104.249%0.49155%0.553SS.*  trans-64159.6172.163.20000111.2E567 T571 D572 K573E567-T569 PolarHBondContact O-N 2.91Å; T569-T571 PolarHBondContact O-N 2.72Å; T569-T571 PolarHBondContact OG1-OG1 3.32Å; T569-D572 PolarHBondContact O-N 2.75Å; T569-D572 WeakPolarHBondContact OG1-CB 3.41Å; T569-D572 PolarHBondContact OG1-N 2.86Å; T569-K573 WeakPolarHBondContact O-CG 3.38Å; T569-K573 PolarHBondContact O-N 3.48Å
570A90.6Very high86.6Confident73 Ų73105.6 Ų105.660%0.60354%0.542SS*.Hα-helixtrans-61.7-31.8178.100000112.7K574A570-K574 WeakPolarHBondContact O-CG 3.32Å; A570-K574 PolarHBondContact O-N 3.34Å
571T90.6Very high87.7Confident107 Ų107109.3 Ų109.366%0.65655%0.545SS*.Hα-helixtrans-69.2-45176.552.70000111.5T569 K573 K574 R575T569-T571 PolarHBondContact O-N 2.72Å; T569-T571 PolarHBondContact OG1-OG1 3.32Å; T571-K573 PolarHBondContact O-N 2.88Å; T571-K574 PolarHBondContact O-N 3.41Å; T571-R575 PolarHBondContact O-N 3.07Å
572D88.1Confident88.5Confident45 Ų45109.4 Ų109.424%0.24154%0.536CS..Hα-helixtrans-61.9-43.3176.4-170.124.3000111.4T569 K574 R575 E576T569-D572 PolarHBondContact O-N 2.75Å; T569-D572 WeakPolarHBondContact OG1-CB 3.41Å; T569-D572 PolarHBondContact OG1-N 2.86Å; D572-K574 VanDerWaalsContact C-N 3.33Å; D572-K574 PolarHBondContact O-N 2.75Å; D572-R575 PolarHBondContact O-N 3.4Å; D572-E576 WeakPolarHBondContact O-CB 3.37Å; D572-E576 PolarHBondContact O-N 3.24Å
573K89.1Confident89.3Confident95 Ų95107.4 Ų107.441%0.41352%0.524SS..Hα-helixtrans-57.3-42.2173.5-73170.1177.5159.50112.9A565 K568 T569 T571 R577A565-K573 WeakPolarHBondContact O-CE 3.5Å; A565-K573 PolarHBondContact O-NZ 2.88Å; K568-K573 HydrophobicContact CB-CD 4.48Å; K568-K573 HydrophobicContact CB-CG 4Å; K568-K573 WeakPolarHBondContact O-CE 3.36Å; K568-K573 PolarHBondContact O-NZ 2.87Å; T569-K573 WeakPolarHBondContact O-CG 3.38Å; T569-K573 PolarHBondContact O-N 3.48Å; T571-K573 PolarHBondContact O-N 2.88Å; K573-R577 WeakPolarHBondContact O-CB 3.43Å; K573-R577 PolarHBondContact O-N 3.16Å
574K92.6Very high89.9Confident135 Ų135108.7 Ų108.759%0.58753%0.529SS*.Hα-helixtrans-68.9-43177.5-74.4179.1-178.5-179.30111.4A570 T571 D572 R577 R578A570-K574 WeakPolarHBondContact O-CG 3.32Å; A570-K574 PolarHBondContact O-N 3.34Å; T571-K574 PolarHBondContact O-N 3.41Å; D572-K574 VanDerWaalsContact C-N 3.33Å; D572-K574 PolarHBondContact O-N 2.75Å; K574-R577 PolarHBondContact O-N 3.4Å; K574-R578 WeakPolarHBondContact O-CG 3.42Å; K574-R578 PolarHBondContact O-N 3.36Å
575R89.4Confident90.4Very high189 Ų189110.8 Ų110.871%0.71353%0.534SS*.Hα-helixtrans-60.8-48.2176.3-175-177-75.8-116.22.1111.3T571 D572 R577 R578 K579T571-R575 PolarHBondContact O-N 3.07Å; D572-R575 PolarHBondContact O-N 3.4Å; R575-R577 VanDerWaalsContact C-N 3.31Å; R575-R577 PolarHBondContact O-N 3.12Å; R575-R578 PolarHBondContact O-N 3.16Å; R575-K579 PolarHBondContact O-N 2.94Å
576E88.4Confident90.9Very high54 Ų54110.9 Ų110.925%0.25252%0.523SS..Hα-helixtrans-61.4-39.1176.8-169.3-175.1173.100111.6K568 D572 K579 K580K568-E576 IonicContact NZ-OE1 2.92Å; K568-E576 PolarHBondContact NZ-OE1 3.49Å; K568-E576 IonicContact NZ-OE2 3.58Å; K568-E576 PolarHBondContact NZ-OE2 2.99Å; D572-E576 WeakPolarHBondContact O-CB 3.37Å; D572-E576 PolarHBondContact O-N 3.24Å; E576-K579 PolarHBondContact O-N 2.94Å; E576-K580 HydrophobicContact CG-CD 4.27Å; E576-K580 WeakPolarHBondContact O-CB 3.43Å; E576-K580 WeakPolarHBondContact O-CG 3.46Å; E576-K580 PolarHBondContact O-N 3.26Å; E576-K580 WeakPolarHBondContact OE1-CE 3.49Å; E576-K580 IonicContact OE1-NZ 2.9Å; E576-K580 PolarHBondContact OE1-NZ 2.71Å
577R89.9Confident91.3Very high162 Ų162112.4 Ų112.461%0.61151%0.512SS*.Hα-helixtrans-63.4-43.1175-176.6-177.1177.5-145.82.5112.1K573 K574 R575 K580 K581K573-R577 WeakPolarHBondContact O-CB 3.43Å; K573-R577 PolarHBondContact O-N 3.16Å; K574-R577 PolarHBondContact O-N 3.4Å; R575-R577 VanDerWaalsContact C-N 3.31Å; R575-R577 PolarHBondContact O-N 3.12Å; R577-K580 PolarHBondContact O-N 2.91Å; R577-K581 WeakPolarHBondContact O-CB 3.45Å; R577-K581 WeakPolarHBondContact O-CG 3.34Å; R577-K581 PolarHBondContact O-N 3.44Å
578R93.1Very high91.6Very high180 Ų180110.5 Ų110.568%0.67951%0.505SS*.Hα-helixtrans-62-48.2175.7-69.3179.9-164.7149.5-1.2110.5K574 R575 K580 K581 Y582K574-R578 WeakPolarHBondContact O-CG 3.42Å; K574-R578 PolarHBondContact O-N 3.36Å; R575-R578 PolarHBondContact O-N 3.16Å; R578-K580 PolarHBondContact O-N 3.45Å; R578-K581 WeakPolarHBondContact O-CB 3.32Å; R578-K581 PolarHBondContact O-N 3Å; R578-K581 VanDerWaalsContact O-N 3.14Å; R578-Y582 WeakPolarHBondContact O-CB 3.38Å; R578-Y582 PolarHBondContact O-N 3.47Å
579K91.1Very high91.8Very high129 Ų129113.7 Ų113.756%0.56152%0.519SS*.Hα-helixtrans-58-44.9176.4-170172.9-177174.70112.2R575 E576 Y582 Q583R575-K579 PolarHBondContact O-N 2.94Å; E576-K579 PolarHBondContact O-N 2.94Å; K579-Y582 PolarHBondContact O-N 3.49Å; K579-Q583 WeakPolarHBondContact O-CG 3.07Å; K579-Q583 PolarHBondContact O-N 3.23Å
580K91.6Very high91.9Very high120 Ų120116.2 Ų116.252%0.52253%0.525SS..Hα-helixtrans-64.7-39.7175.5-75.5177.5-178171.30112.8E576 R577 R578 K584E576-K580 HydrophobicContact CG-CD 4.27Å; E576-K580 WeakPolarHBondContact O-CB 3.43Å; E576-K580 WeakPolarHBondContact O-CG 3.46Å; E576-K580 PolarHBondContact O-N 3.26Å; E576-K580 WeakPolarHBondContact OE1-CE 3.49Å; E576-K580 IonicContact OE1-NZ 2.9Å; E576-K580 PolarHBondContact OE1-NZ 2.71Å; R577-K580 PolarHBondContact O-N 2.91Å; R578-K580 PolarHBondContact O-N 3.45Å; K580-K584 VanDerWaalsContact O-CB 3.27Å; K580-K584 WeakPolarHBondContact O-CB 3.47Å; K580-K584 PolarHBondContact O-N 2.98Å
581K95.3Very high91.7Very high123 Ų123120.1 Ų120.154%0.53553%0.528SS..Hα-helixtrans-63.7-45.5175.6-83-172.3172.3-166.80111.1R577 R578 K584 H585R577-K581 WeakPolarHBondContact O-CB 3.45Å; R577-K581 WeakPolarHBondContact O-CG 3.34Å; R577-K581 PolarHBondContact O-N 3.44Å; R578-K581 WeakPolarHBondContact O-CB 3.32Å; R578-K581 PolarHBondContact O-N 3Å; R578-K581 VanDerWaalsContact O-N 3.14Å; K581-K584 PolarHBondContact O-N 3.5Å; K581-H585 WeakPolarHBondContact O-CB 3.16Å; K581-H585 PolarHBondContact O-N 2.88Å
582Y94.3Very high91.5Very high143 Ų143118.7 Ų118.756%0.56151%0.514SS*.Hα-helixtrans-60.5-52.1177.6178.8-101.8000111.6R578 K579 K584 H585 L586R578-Y582 WeakPolarHBondContact O-CB 3.38Å; R578-Y582 PolarHBondContact O-N 3.47Å; K579-Y582 PolarHBondContact O-N 3.49Å; Y582-K584 VanDerWaalsContact C-N 3.28Å; Y582-K584 PolarHBondContact O-N 3.33Å; Y582-H585 WeakPolarHBondContact O-CB 3.34Å; Y582-H585 PolarHBondContact O-N 2.83Å; Y582-L586 HydrophobicContact CD1-CD1 3.96Å; Y582-L586 HydrophobicContact CD1-CG 4.47Å; Y582-L586 HydrophobicContact CE1-CD1 3.36Å; Y582-L586 HydrophobicContact CE1-CG 4.09Å; Y582-L586 HydrophobicContact CE2-CG 4.49Å; Y582-L586 PolarHBondContact O-N 2.8Å
583Q93.8Very high91.3Very high93 Ų93122.6 Ų122.644%0.43553%0.529SS..Hα-helixtrans-59.6-37.5176.5-71.6179.2-1.600112.9K579 K587K579-Q583 WeakPolarHBondContact O-CG 3.07Å; K579-Q583 PolarHBondContact O-N 3.23Å; Q583-K587 WeakPolarHBondContact O-CG 3.48Å; Q583-K587 PolarHBondContact O-N 3.19Å; Q583-K587 VanDerWaalsContact O-N 3.09Å
584K94.4Very high90.8Very high143 Ų143126 Ų12662%0.62254%0.539SS*.Hα-helixtrans-67.3-40.9175.2-172.9-176177-171.40111.2K580 K581 Y582 K587 I588K580-K584 VanDerWaalsContact O-CB 3.27Å; K580-K584 WeakPolarHBondContact O-CB 3.47Å; K580-K584 PolarHBondContact O-N 2.98Å; K581-K584 PolarHBondContact O-N 3.5Å; Y582-K584 VanDerWaalsContact C-N 3.28Å; Y582-K584 PolarHBondContact O-N 3.33Å; K584-K587 PolarHBondContact O-N 2.78Å; K584-I588 HydrophobicContact CG-CD1 3.96Å; K584-I588 WeakPolarHBondContact O-CD1 3.39Å; K584-I588 VanDerWaalsContact O-CG1 3.24Å; K584-I588 WeakPolarHBondContact O-CG1 3.19Å; K584-I588 PolarHBondContact O-N 3Å
585H94.9Very high90.2Very high115 Ų115126.9 Ų126.953%0.53254%0.539SS..Hα-helixtrans-62.3-47177-177.973.6000111K581 Y582 K587 I588 K589K581-H585 WeakPolarHBondContact O-CB 3.16Å; K581-H585 PolarHBondContact O-N 2.88Å; Y582-H585 WeakPolarHBondContact O-CB 3.34Å; Y582-H585 PolarHBondContact O-N 2.83Å; H585-K587 PolarHBondContact O-N 3.26Å; H585-I588 PolarHBondContact O-N 3.28Å; H585-I588 VanDerWaalsContact O-N 3.08Å; H585-K589 PolarHBondContact O-N 2.81Å
586L93.5Very high89.8Confident76 Ų76122.3 Ų122.340%0.39852%0.524SS..Hα-helixtrans-55.8-48.4174.1-72-179.7000112.2Y582 I588 K589 E590Y582-L586 HydrophobicContact CD1-CD1 3.96Å; Y582-L586 HydrophobicContact CD1-CG 4.47Å; Y582-L586 HydrophobicContact CE1-CD1 3.36Å; Y582-L586 HydrophobicContact CE1-CG 4.09Å; Y582-L586 HydrophobicContact CE2-CG 4.49Å; Y582-L586 PolarHBondContact O-N 2.8Å; L586-I588 VanDerWaalsContact C-N 3.27Å; L586-I588 PolarHBondContact O-N 3.07Å; L586-K589 PolarHBondContact O-N 3.46Å; L586-E590 WeakPolarHBondContact O-CB 3.48Å; L586-E590 PolarHBondContact O-N 2.64Å
587K94.1Very high89.2Confident131 Ų131122.4 Ų122.457%0.5753%0.526SS*.Hα-helixtrans-62.4-32176.8-72.7178.8-178.5-1730113.4Q583 K584 H585 K591Q583-K587 WeakPolarHBondContact O-CG 3.48Å; Q583-K587 PolarHBondContact O-N 3.19Å; Q583-K587 VanDerWaalsContact O-N 3.09Å; K584-K587 PolarHBondContact O-N 2.78Å; H585-K587 PolarHBondContact O-N 3.26Å; K587-K591 WeakPolarHBondContact O-CB 3.44Å; K587-K591 VanDerWaalsContact O-CG 3.23Å; K587-K591 WeakPolarHBondContact O-CG 3.47Å; K587-K591 PolarHBondContact O-N 3.26Å
588I92.4Very high88.5Confident86 Ų86119.1 Ų119.144%0.44152%0.52SS..Hα-helixtrans-72.3-46.5175.7-70.5164.1000109.8K584 H585 L586 E590 K591 E592K584-I588 HydrophobicContact CG-CD1 3.96Å; K584-I588 WeakPolarHBondContact O-CD1 3.39Å; K584-I588 VanDerWaalsContact O-CG1 3.24Å; K584-I588 WeakPolarHBondContact O-CG1 3.19Å; K584-I588 PolarHBondContact O-N 3Å; H585-I588 PolarHBondContact O-N 3.28Å; H585-I588 VanDerWaalsContact O-N 3.08Å; L586-I588 VanDerWaalsContact C-N 3.27Å; L586-I588 PolarHBondContact O-N 3.07Å; I588-E590 VanDerWaalsContact C-N 3.33Å; I588-E590 PolarHBondContact O-N 2.83Å; I588-K591 PolarHBondContact O-N 2.97Å; I588-E592 WeakPolarHBondContact O-CB 3.05Å; I588-E592 PolarHBondContact O-N 3.1Å
589K92.9Very high87.6Confident109 Ų109116 Ų11647%0.47451%0.513SS..Hα-helixtrans-58.7-44.4177.8-168.7176.4-176.6179.80111.1H585 L586 E592 K593H585-K589 PolarHBondContact O-N 2.81Å; L586-K589 PolarHBondContact O-N 3.46Å; K589-E592 PolarHBondContact O-N 3.22Å; K589-K593 WeakPolarHBondContact O-CG 3.45Å; K589-K593 PolarHBondContact O-N 3.49Å
590E91Very high86.7Confident133 Ų133116.2 Ų116.262%0.62151%0.514SS*.Hα-helixtrans-62-45.7175.6-172.4-173.6-173.200112.3L586 I588 E592 K593 R594L586-E590 WeakPolarHBondContact O-CB 3.48Å; L586-E590 PolarHBondContact O-N 2.64Å; I588-E590 VanDerWaalsContact C-N 3.33Å; I588-E590 PolarHBondContact O-N 2.83Å; E590-E592 VanDerWaalsContact C-N 3.31Å; E590-E592 PolarHBondContact O-N 3.47Å; E590-K593 PolarHBondContact O-N 3.32Å; E590-R594 PolarHBondContact O-N 2.93Å
591K85.6Confident85.7Confident155 Ų155118.2 Ų118.267%0.67452%0.523SS*.Hα-helixtrans-63.2-37.6175.9-77177.6-178.6-170.60112.6K587 I588 R595K587-K591 WeakPolarHBondContact O-CB 3.44Å; K587-K591 VanDerWaalsContact O-CG 3.23Å; K587-K591 WeakPolarHBondContact O-CG 3.47Å; K587-K591 PolarHBondContact O-N 3.26Å; I588-K591 PolarHBondContact O-N 2.97Å; K591-R595 WeakPolarHBondContact O-CB 3.41Å; K591-R595 PolarHBondContact O-N 3.46Å
592E85.8Confident84Confident76 Ų76116.9 Ų116.936%0.35552%0.522SS..Hα-helixtrans-67.6-44.6176.8-167.4-175.8159.200111.3I588 K589 E590 R594 R595 K596I588-E592 WeakPolarHBondContact O-CB 3.05Å; I588-E592 PolarHBondContact O-N 3.1Å; K589-E592 PolarHBondContact O-N 3.22Å; E590-E592 VanDerWaalsContact C-N 3.31Å; E590-E592 PolarHBondContact O-N 3.47Å; E592-R594 PolarHBondContact O-N 3.2Å; E592-R595 PolarHBondContact O-N 3.46Å; E592-K596 WeakPolarHBondContact O-CG 3.38Å; E592-K596 PolarHBondContact O-N 3.24Å; E592-K596 WeakPolarHBondContact OE1-CE 3.26Å; E592-K596 IonicContact OE1-NZ 2.72Å; E592-K596 PolarHBondContact OE1-NZ 3.4Å; E592-K596 VanDerWaalsContact OE1-NZ 3.1Å
593K84.1Confident82.4Confident128 Ų128114.6 Ų114.656%0.55752%0.524SS*.Hα-helixtrans-56-49.7172.2-73.9-178.4176.2-167.20111.2K589 E590 R595 K596 L597K589-K593 WeakPolarHBondContact O-CG 3.45Å; K589-K593 PolarHBondContact O-N 3.49Å; E590-K593 PolarHBondContact O-N 3.32Å; K593-R595 VanDerWaalsContact C-N 3.31Å; K593-R595 PolarHBondContact O-N 2.85Å; K593-K596 PolarHBondContact O-N 2.94Å; K593-L597 WeakPolarHBondContact O-CG 3.39Å; K593-L597 PolarHBondContact O-N 3.25Å
594R79.4Confident80.5Confident165 Ų165117.1 Ų117.162%0.62354%0.541SS*.Hα-helixtrans-59.5-40177.1-174.1173.4176157.30.6112.2E590 E592 L598E590-R594 PolarHBondContact O-N 2.93Å; E592-R594 PolarHBondContact O-N 3.2Å; R594-L598 HydrophobicContact CG-CD1 4.27Å; R594-L598 WeakPolarHBondContact O-CG 3.26Å; R594-L598 PolarHBondContact O-N 3.28Å
595R78.6Confident78.5Confident155 Ų155115.1 Ų115.159%0.58553%0.534SS*.Hα-helixtrans-65.3-45.4176.3-173.6-178.466.2-170.4-2.2111.7K591 E592 K593 L597 L598 E599K591-R595 WeakPolarHBondContact O-CB 3.41Å; K591-R595 PolarHBondContact O-N 3.46Å; E592-R595 PolarHBondContact O-N 3.46Å; K593-R595 VanDerWaalsContact C-N 3.31Å; K593-R595 PolarHBondContact O-N 2.85Å; R595-L597 VanDerWaalsContact C-N 3.34Å; R595-L597 PolarHBondContact O-N 2.9Å; R595-L598 PolarHBondContact O-N 2.82Å; R595-E599 WeakPolarHBondContact O-CB 3.37Å; R595-E599 PolarHBondContact O-N 2.9Å
596K81.1Confident76Confident92 Ų92114.6 Ų114.640%0.454%0.541SS..Hα-helixtrans-60.6-43.1177.1-72.5-179.8-178.11780111.3E592 K593 L598 E599 K600E592-K596 WeakPolarHBondContact O-CG 3.38Å; E592-K596 PolarHBondContact O-N 3.24Å; E592-K596 WeakPolarHBondContact OE1-CE 3.26Å; E592-K596 IonicContact OE1-NZ 2.72Å; E592-K596 PolarHBondContact OE1-NZ 3.4Å; E592-K596 VanDerWaalsContact OE1-NZ 3.1Å; K593-K596 PolarHBondContact O-N 2.94Å; K596-L598 PolarHBondContact O-N 3.2Å; K596-E599 PolarHBondContact O-N 3.31Å; K596-K600 WeakPolarHBondContact O-CG 3.18Å; K596-K600 PolarHBondContact O-N 3.39Å
597L76.7Confident74Confident57 Ų57113 Ų11330%0.29854%0.543SS..Hα-helixtrans-61.9-42.1174.7-70.7174.8000112.5K593 R595 E599 K600 K601K593-L597 WeakPolarHBondContact O-CG 3.39Å; K593-L597 PolarHBondContact O-N 3.25Å; R595-L597 VanDerWaalsContact C-N 3.34Å; R595-L597 PolarHBondContact O-N 2.9Å; L597-E599 VanDerWaalsContact C-N 3.32Å; L597-E599 PolarHBondContact O-N 3.3Å; L597-K600 PolarHBondContact O-N 2.88Å; L597-K601 WeakPolarHBondContact O-CB 3.48Å; L597-K601 WeakPolarHBondContact O-CG 3.46Å; L597-K601 PolarHBondContact O-N 2.94Å
598L75Confident71.9Confident93 Ų93112.4 Ų112.449%0.48754%0.54SS..Hα-helixtrans-66.7-33177-76.1169.1000113.2R594 R595 K596 N602R594-L598 HydrophobicContact CG-CD1 4.27Å; R594-L598 WeakPolarHBondContact O-CG 3.26Å; R594-L598 PolarHBondContact O-N 3.28Å; R595-L598 PolarHBondContact O-N 2.82Å; K596-L598 PolarHBondContact O-N 3.2Å; L598-N602 PolarHBondContact O-N 3.43Å; L598-N602 PolarHBondContact O-ND2 3.23Å; L598-N602 VanDerWaalsContact O-ND2 3.09Å
599E74.4Confident69.9Low113 Ų113114.2 Ų114.253%0.52856%0.56SS.*Hα-helixtrans-71.8-44.1176-172.4165.9-153.100111.1R595 K596 L597 K601 N602R595-E599 WeakPolarHBondContact O-CB 3.37Å; R595-E599 PolarHBondContact O-N 2.9Å; K596-E599 PolarHBondContact O-N 3.31Å; L597-E599 VanDerWaalsContact C-N 3.32Å; L597-E599 PolarHBondContact O-N 3.3Å; E599-K601 VanDerWaalsContact C-N 3.33Å; E599-K601 PolarHBondContact O-N 3.5Å; E599-N602 CarbonylContact O-C 3.6Å; E599-N602 VanDerWaalsContact O-C 3.32Å; E599-N602 PolarHBondContact O-N 2.87Å; E599-N602 VanDerWaalsContact O-N 3.15Å
600K71.8Confident68.1Low134 Ų134111.7 Ų111.758%0.58356%0.556SS**Hα-helixtrans-61.1-38172.6-71.9-174.2-178.6-166.60112.9E441 K596 L597 N602 P603E441-K600 IonicContact OE1-NZ 2.63Å; E441-K600 PolarHBondContact OE1-NZ 3.43Å; K596-K600 WeakPolarHBondContact O-CG 3.18Å; K596-K600 PolarHBondContact O-N 3.39Å; L597-K600 PolarHBondContact O-N 2.88Å; K600-N602 VanDerWaalsContact C-N 3.26Å; K600-N602 PolarHBondContact O-N 2.83Å; K600-P603 WeakPolarHBondContact O-CD 3.49Å
601K70.2Confident66.5Low163 Ų163116 Ų11671%0.70957%0.567SS**THydrogen-bonded Turntrans-70.2-17.5176.8-75.2-178.4179.6-172.80113.8L597 E599L597-K601 WeakPolarHBondContact O-CB 3.48Å; L597-K601 WeakPolarHBondContact O-CG 3.46Å; L597-K601 PolarHBondContact O-N 2.94Å; E599-K601 VanDerWaalsContact C-N 3.33Å; E599-K601 PolarHBondContact O-N 3.5Å
602N61.2Low65.3Low95 Ų95111 Ų11151%0.50855%0.554SS.*  trans-129.166.3179.6-63.8-71.7000111.6L598 E599 K600 D604 Q605L598-N602 PolarHBondContact O-N 3.43Å; L598-N602 PolarHBondContact O-ND2 3.23Å; L598-N602 VanDerWaalsContact O-ND2 3.09Å; E599-N602 CarbonylContact O-C 3.6Å; E599-N602 VanDerWaalsContact O-C 3.32Å; E599-N602 PolarHBondContact O-N 2.87Å; E599-N602 VanDerWaalsContact O-N 3.15Å; K600-N602 VanDerWaalsContact C-N 3.26Å; K600-N602 PolarHBondContact O-N 2.83Å; N602-D604 PolarHBondContact O-N 3.42Å; N602-Q605 PolarHBondContact O-N 3.43Å
603P60.2Low64.4Low94 Ų94107.9 Ų107.961%0.6154%0.542SS*.THydrogen-bonded Turntrans-66.6-24.9-178.428.6-34.2000112.7K600 Q605 P606K600-P603 WeakPolarHBondContact O-CD 3.49Å; P603-Q605 PolarHBondContact O-N 2.92Å; P603-P606 WeakPolarHBondContact O-CD 3.38Å
604D53.9Low63.4Low147 Ų147104.4 Ų104.479%0.78654%0.537SS*.THydrogen-bonded Turntrans-78.7-3.4-179.8-64-32.2000114N602N602-D604 PolarHBondContact O-N 3.42Å
605Q52.7Low63Low101 Ų10199.3 Ų99.347%0.47253%0.525SS..  trans-140.265.1177.8-63.5-164.120.100112.6N602 P603 G607 K608N602-Q605 PolarHBondContact O-N 3.43Å; P603-Q605 PolarHBondContact O-N 2.92Å; Q605-G607 PolarHBondContact O-N 3.4Å; Q605-K608 HydrophobicContact CB-CB 4.1Å; Q605-K608 HydrophobicContact CB-CD 4.08Å; Q605-K608 HydrophobicContact CB-CG 4.25Å; Q605-K608 HydrophobicContact CG-CD 3.81Å; Q605-K608 VanDerWaalsContact OE1-CB 3.31Å
606P41.7Very low62.9Low104 Ų10497.4 Ų97.468%0.67552%0.522SS*.THydrogen-bonded Turntrans-63105.5169.928.5-31.1000107.9P603P603-P606 WeakPolarHBondContact O-CD 3.38Å
607G52.1Low62.5Low43 Ų4399.2 Ų99.244%0.44353%0.53SS..THydrogen-bonded Turntrans98.2-3.1171.700000119.1Q605 S609 S610Q605-G607 PolarHBondContact O-N 3.4Å; G607-S609 PolarHBondContact O-N 3.42Å; G607-S610 PolarHBondContact O-N 2.86Å; G607-S610 PolarHBondContact O-OG 3.07Å
608K48.7Very low62.1Low118 Ų118100.6 Ų100.651%0.51354%0.537SS..THydrogen-bonded Turntrans-82.2-8.6-175.2-62.9180-171.6158.20116Q605 A613Q605-K608 HydrophobicContact CB-CB 4.1Å; Q605-K608 HydrophobicContact CB-CD 4.08Å; Q605-K608 HydrophobicContact CB-CG 4.25Å; Q605-K608 HydrophobicContact CG-CD 3.81Å; Q605-K608 VanDerWaalsContact OE1-CB 3.31Å; K608-A613 HydrophobicContact CB-CB 4.24Å; K608-A613 WeakPolarHBondContact O-CB 3.4Å
609S51.9Low62.2Low124 Ų124102 Ų10287%0.86754%0.539SS*.THydrogen-bonded Turntrans-96.86.7169.756.90000112.8G607G607-S609 PolarHBondContact O-N 3.42Å
610S54.4Low62.4Low56 Ų56102.3 Ų102.339%0.39254%0.541SS..SBendtrans-84.6146.9171.677.70000109.6G607 A612 A613G607-S610 PolarHBondContact O-N 2.86Å; G607-S610 PolarHBondContact O-OG 3.07Å; S610-A612 CarbonylContact O-C 3.56Å; S610-A612 PolarHBondContact O-N 2.81Å; S610-A613 PolarHBondContact O-N 2.85Å
611R58.1Low62.4Low222 Ų222100.3 Ų100.384%0.83854%0.536SS*.Hα-helixtrans-39.5-27.5174.3-154.9172.6-176.9138.9-1.9113.7T615R611-T615 WeakPolarHBondContact O-CG2 3.49Å; R611-T615 PolarHBondContact O-N 3.03Å; R611-T615 PolarHBondContact O-OG1 3.5Å
612A60.3Low62.5Low50 Ų5094.9 Ų94.941%0.41352%0.517SS..Hα-helixtrans-61.2-49173.800000113.8S610 A614 T615 E616S610-A612 CarbonylContact O-C 3.56Å; S610-A612 PolarHBondContact O-N 2.81Å; A612-A614 PolarHBondContact O-N 3.18Å; A612-T615 WeakPolarHBondContact CA-OG1 3.14Å; A612-T615 CarbonylContact O-C 3.58Å; A612-T615 WeakPolarHBondContact O-CA 3.33Å; A612-T615 PolarHBondContact O-N 3.46Å; A612-T615 PolarHBondContact O-OG1 2.99Å; A612-E616 WeakPolarHBondContact O-CG 3.33Å; A612-E616 PolarHBondContact O-N 3.02Å
613A65.8Low63.3Low12 Ų1298.9 Ų98.910%0.09953%0.53CS..Hα-helixtrans-69.6-33.7-18000000112.6K608 S610 T615 E616 K617K608-A613 HydrophobicContact CB-CB 4.24Å; K608-A613 WeakPolarHBondContact O-CB 3.4Å; S610-A613 PolarHBondContact O-N 2.85Å; A613-T615 VanDerWaalsContact C-N 3.32Å; A613-E616 PolarHBondContact O-N 3.2Å; A613-K617 WeakPolarHBondContact O-CB 3.42Å; A613-K617 WeakPolarHBondContact O-CG 3.46Å; A613-K617 PolarHBondContact O-N 2.76Å
614A64.4Low64Low55 Ų5598.6 Ų98.646%0.45553%0.526SS..Hα-helixtrans-63.3-39.516900000111.2A612 L618A612-A614 PolarHBondContact O-N 3.18Å; A614-L618 WeakPolarHBondContact O-CB 3.35Å; A614-L618 PolarHBondContact O-N 2.88Å
615T70Confident64.2Low58 Ų5894.8 Ų94.836%0.35652%0.521SS..Hα-helixtrans-69.9-31.4174.468.90000112.8R611 A612 A613 K619R611-T615 WeakPolarHBondContact O-CG2 3.49Å; R611-T615 PolarHBondContact O-N 3.03Å; R611-T615 PolarHBondContact O-OG1 3.5Å; A612-T615 WeakPolarHBondContact CA-OG1 3.14Å; A612-T615 CarbonylContact O-C 3.58Å; A612-T615 WeakPolarHBondContact O-CA 3.33Å; A612-T615 PolarHBondContact O-N 3.46Å; A612-T615 PolarHBondContact O-OG1 2.99Å; A613-T615 VanDerWaalsContact C-N 3.32Å; T615-K619 WeakPolarHBondContact O-CB 3.35Å; T615-K619 WeakPolarHBondContact O-CD 3.26Å; T615-K619 WeakPolarHBondContact O-CG 3.38Å; T615-K619 PolarHBondContact O-N 3.32Å
616E76Confident64.7Low114 Ų11498.3 Ų98.353%0.53354%0.535SS..Hα-helixtrans-72.6-41.4175.4-75.9-179.6175.900112.1A612 A613 K619 Q620A612-E616 WeakPolarHBondContact O-CG 3.33Å; A612-E616 PolarHBondContact O-N 3.02Å; A613-E616 PolarHBondContact O-N 3.2Å; E616-K619 CarbonylContact O-C 3.58Å; E616-K619 WeakPolarHBondContact O-CB 3.24Å; E616-K619 PolarHBondContact O-N 2.77Å; E616-Q620 WeakPolarHBondContact O-CB 3.36Å; E616-Q620 VanDerWaalsContact O-CG 3.3Å; E616-Q620 WeakPolarHBondContact O-CG 3.27Å; E616-Q620 PolarHBondContact O-N 3.48Å
617K74Confident65.4Low131 Ų13197.6 Ų97.657%0.5753%0.529SS*.Hα-helixtrans-62.6-42.2171.3-71.5178.9-178.5-179.80111.3A613 Q620 L621A613-K617 WeakPolarHBondContact O-CB 3.42Å; A613-K617 WeakPolarHBondContact O-CG 3.46Å; A613-K617 PolarHBondContact O-N 2.76Å; K617-Q620 PolarHBondContact O-N 3.39Å; K617-L621 WeakPolarHBondContact O-CB 3.48Å; K617-L621 VanDerWaalsContact O-CG 3.27Å; K617-L621 WeakPolarHBondContact O-CG 3.3Å; K617-L621 PolarHBondContact O-N 2.93Å
618L67.9Low65.5Low85 Ų85100.9 Ų100.945%0.44555%0.545SS..Hα-helixtrans-60.8-44.1170.8-93.3164.9000111.8A614 Q620 L621 T622 L629A614-L618 WeakPolarHBondContact O-CB 3.35Å; A614-L618 PolarHBondContact O-N 2.88Å; L618-Q620 PolarHBondContact O-N 2.74Å; L618-L621 PolarHBondContact O-N 2.83Å; L618-T622 VanDerWaalsContact O-CG2 3.23Å; L618-T622 WeakPolarHBondContact O-CG2 3.28Å; L618-T622 PolarHBondContact O-N 3.28Å; L618-T622 PolarHBondContact O-OG1 2.89Å; L618-L629 HydrophobicContact CB-CD1 4.33Å; L618-L629 HydrophobicContact CD2-CD1 3.99Å
619K76.3Confident65.8Low122 Ų12299.7 Ų99.753%0.5354%0.544SS..Hα-helixtrans-61.9-42.1175.5-76.9166.8-176174.40111.6T615 E616 T622 K623T615-K619 WeakPolarHBondContact O-CB 3.35Å; T615-K619 WeakPolarHBondContact O-CD 3.26Å; T615-K619 WeakPolarHBondContact O-CG 3.38Å; T615-K619 PolarHBondContact O-N 3.32Å; E616-K619 CarbonylContact O-C 3.58Å; E616-K619 WeakPolarHBondContact O-CB 3.24Å; E616-K619 PolarHBondContact O-N 2.77Å; K619-T622 WeakPolarHBondContact CA-OG1 3.48Å; K619-T622 PolarHBondContact O-N 2.91Å; K619-T622 PolarHBondContact O-OG1 2.91Å; K619-K623 WeakPolarHBondContact O-CB 3.37Å; K619-K623 VanDerWaalsContact O-CG 3.28Å; K619-K623 WeakPolarHBondContact O-CG 3.23Å; K619-K623 PolarHBondContact O-N 2.92Å
620Q78.2Confident65.6Low121 Ų121101.1 Ų101.157%0.56554%0.541SS*.Hα-helixtrans-63.6-45.5175.7-73.5175.2-0.900111.2E616 K617 L618 T622 K623 T624E616-Q620 WeakPolarHBondContact O-CB 3.36Å; E616-Q620 VanDerWaalsContact O-CG 3.3Å; E616-Q620 WeakPolarHBondContact O-CG 3.27Å; E616-Q620 PolarHBondContact O-N 3.48Å; K617-Q620 PolarHBondContact O-N 3.39Å; L618-Q620 PolarHBondContact O-N 2.74Å; Q620-T622 VanDerWaalsContact C-N 3.33Å; Q620-T622 PolarHBondContact O-N 2.95Å; Q620-K623 PolarHBondContact O-N 3.01Å; Q620-K623 VanDerWaalsContact O-N 3.14Å; Q620-T624 WeakPolarHBondContact O-CG2 3.43Å; Q620-T624 PolarHBondContact O-N 3.34Å; Q620-T624 PolarHBondContact O-OG1 3.49Å
621L73.1Confident65.5Low91 Ų91105.5 Ų105.548%0.47655%0.553SS.*Hα-helixtrans-61.4-39.5176-71.8167.8000112.3K617 L618 T624K617-L621 WeakPolarHBondContact O-CB 3.48Å; K617-L621 VanDerWaalsContact O-CG 3.27Å; K617-L621 WeakPolarHBondContact O-CG 3.3Å; K617-L621 PolarHBondContact O-N 2.93Å; L618-L621 PolarHBondContact O-N 2.83Å; L621-T624 WeakPolarHBondContact CA-OG1 3.33Å; L621-T624 PolarHBondContact O-N 3.43Å; L621-T624 PolarHBondContact O-OG1 3.4Å
622T72.3Confident65.1Low50 Ų50101.3 Ų101.331%0.30755%0.547SS..Hα-helixtrans-69-33.8174.361.30000113.3L618 K619 Q620 G625 L629L618-T622 VanDerWaalsContact O-CG2 3.23Å; L618-T622 WeakPolarHBondContact O-CG2 3.28Å; L618-T622 PolarHBondContact O-N 3.28Å; L618-T622 PolarHBondContact O-OG1 2.89Å; K619-T622 WeakPolarHBondContact CA-OG1 3.48Å; K619-T622 PolarHBondContact O-N 2.91Å; K619-T622 PolarHBondContact O-OG1 2.91Å; Q620-T622 VanDerWaalsContact C-N 3.33Å; Q620-T622 PolarHBondContact O-N 2.95Å; T622-G625 PolarHBondContact O-N 2.9Å; T622-L629 HydrophobicContact CG2-CB 3.78Å; T622-L629 HydrophobicContact CG2-CD1 3.76Å; T622-L629 HydrophobicContact CG2-CG 4.3Å
623K76.5Confident64.8Low178 Ų178105.7 Ų105.777%0.77456%0.559SS**Hα-helixtrans-69.2-33.4174.4-75.2174.2-179.9-175.40112.1K619 Q620 G625K619-K623 WeakPolarHBondContact O-CB 3.37Å; K619-K623 VanDerWaalsContact O-CG 3.28Å; K619-K623 WeakPolarHBondContact O-CG 3.23Å; K619-K623 PolarHBondContact O-N 2.92Å; Q620-K623 PolarHBondContact O-N 3.01Å; Q620-K623 VanDerWaalsContact O-N 3.14Å; K623-G625 PolarHBondContact O-N 2.87Å
624T75.4Confident64.2Low89 Ų89112.6 Ų112.655%0.54658%0.583SS.*THydrogen-bonded Turntrans-77.23.217660.90000114.1Q620 L621 K626Q620-T624 WeakPolarHBondContact O-CG2 3.43Å; Q620-T624 PolarHBondContact O-N 3.34Å; Q620-T624 PolarHBondContact O-OG1 3.49Å; L621-T624 WeakPolarHBondContact CA-OG1 3.33Å; L621-T624 PolarHBondContact O-N 3.43Å; L621-T624 PolarHBondContact O-OG1 3.4Å; T624-K626 PolarHBondContact O-N 3.46Å; T624-K626 VanDerWaalsContact O-N 3.14Å
625G59.4Low63.7Low66 Ų66118.5 Ų118.568%0.6860%0.598SS**THydrogen-bonded Turntrans72.92170.400000116.1T622 K623T622-G625 PolarHBondContact O-N 2.9Å; K623-G625 PolarHBondContact O-N 2.87Å
626K63Low62.9Low176 Ų176122.4 Ų122.477%0.76562%0.617SS**SBendtrans-79.4-19.7-177.5-70.4-177.7178.6-179.70114T624T624-K626 PolarHBondContact O-N 3.46Å; T624-K626 VanDerWaalsContact O-N 3.14Å
627V54.5Low62.2Low88 Ų88125.5 Ų125.553%0.53363%0.628SS.*  trans-145.5127.6179.1-178.60000110.4
628S55.5Low61.6Low113 Ų113123.3 Ų123.379%0.7963%0.628SS**  trans-87.5112.6168.152.40000110.2L630S628-L630 PolarHBondContact O-N 2.88Å; S628-L630 VanDerWaalsContact O-N 3.14Å
629L54.3Low61.4Low93 Ų93124 Ų12449%0.48763%0.631SS.*  trans-69.2108.8174.5-136.8155.6000108L618 T622 K631L618-L629 HydrophobicContact CB-CD1 4.33Å; L618-L629 HydrophobicContact CD2-CD1 3.99Å; T622-L629 HydrophobicContact CG2-CB 3.78Å; T622-L629 HydrophobicContact CG2-CD1 3.76Å; T622-L629 HydrophobicContact CG2-CG 4.3Å; L629-K631 PolarHBondContact O-N 3.23Å
630L48Very low61Low153 Ų153127.2 Ų127.280%0.80165%0.645SS**  trans-60.3101.2166-89.4160000107.1S628 D632S628-L630 PolarHBondContact O-N 2.88Å; S628-L630 VanDerWaalsContact O-N 3.14Å; L630-D632 PolarHBondContact O-N 3.38Å
631K53.3Low61.1Low149 Ų149124.3 Ų124.365%0.64864%0.638SS**  trans-72.280.8175.9-79-176.4170.9-138.40109.4L629 E633L629-K631 PolarHBondContact O-N 3.23Å; K631-E633 HydrophobicContact CB-CG 4Å; K631-E633 HydrophobicContact CD-CG 4.34Å; K631-E633 WeakPolarHBondContact CD-OE1 3.46Å; K631-E633 VanDerWaalsContact CE-OE1 3.26Å; K631-E633 WeakPolarHBondContact CE-OE1 3.42Å; K631-E633 HydrophobicContact CG-CG 4.19Å; K631-E633 IonicContact NZ-OE1 2.74Å; K631-E633 PolarHBondContact NZ-OE1 3.35Å; K631-E633 PolarHBondContact O-N 3.33Å
632D49.3Very low61.4Low134 Ų134124.2 Ų124.272%0.71765%0.645SS**  trans-74.557.5157.1-80.6-20.8000109.3L630 R634L630-D632 PolarHBondContact O-N 3.38Å; D632-R634 PolarHBondContact O-N 2.85Å
633E54Low61.8Low142 Ų142129.4 Ų129.466%0.66467%0.666SS**THydrogen-bonded Turntrans-68.88-177.9-83.8-170.7-17100113.7K631K631-E633 HydrophobicContact CB-CG 4Å; K631-E633 HydrophobicContact CD-CG 4.34Å; K631-E633 WeakPolarHBondContact CD-OE1 3.46Å; K631-E633 VanDerWaalsContact CE-OE1 3.26Å; K631-E633 WeakPolarHBondContact CE-OE1 3.42Å; K631-E633 HydrophobicContact CG-CG 4.19Å; K631-E633 IonicContact NZ-OE1 2.74Å; K631-E633 PolarHBondContact NZ-OE1 3.35Å; K631-E633 PolarHBondContact O-N 3.33Å
634R52.7Low61.9Low157 Ų157122 Ų12259%0.59264%0.638SS**THydrogen-bonded Turntrans-124.111.7-163.4-70.7-173.8172.7152.8-2.8116.7D632 M655D632-R634 PolarHBondContact O-N 2.85Å; R634-M655 PolarHBondContact NH1-SD 3.15Å
635K54.6Low62.4Low178 Ų178122.6 Ų122.677%0.77463%0.633SS**SBendtrans-134.35.8179.9-69.3-168.7-179.2178.30118.2
636D53.2Low63.6Low141 Ų141124.9 Ų124.975%0.75462%0.624SS**  trans-107.5-1.9-166.9-62-14.7000116.6P638D636-P638 WeakPolarHBondContact O-CD 3.35Å
637K61.7Low64.5Low179 Ų179118.9 Ų118.978%0.77861%0.605SS**SBendtrans-87.9116.4172.8-69.3-175.6-177.2179.50109.6L639K637-L639 PolarHBondContact O-N 2.95Å
638P61.3Low65.9Low85 Ų85119 Ų11955%0.55260%0.598SS**  trans-63.3133.5177.326.8-33.3000109.1D636 K640D636-P638 WeakPolarHBondContact O-CD 3.35Å; P638-K640 HydrophobicContact CB-CD 4.18Å; P638-K640 HydrophobicContact CB-CG 4.17Å; P638-K640 HydrophobicContact CG-CD 4.25Å; P638-K640 PolarHBondContact O-N 3.14Å
639L62.9Low67.2Low100 Ų100117.3 Ų117.352%0.52458%0.58SS.*SBendtrans-71.960.3-178.6-63.3170.1000111.3K637 F645 K648K637-L639 PolarHBondContact O-N 2.95Å; L639-F645 HydrophobicContact CD2-CB 4.46Å; L639-F645 HydrophobicContact CD2-CD2 4.22Å; L639-K648 HydrophobicContact CD2-CD 4.04Å
640K68.1Low68.7Low188 Ų188118.3 Ų118.382%0.81758%0.582SS**  trans-96.5-12.2-176.1-74177.9178.4178.60113.5P638P638-K640 HydrophobicContact CB-CD 4.18Å; P638-K640 HydrophobicContact CB-CG 4.17Å; P638-K640 HydrophobicContact CG-CD 4.25Å; P638-K640 PolarHBondContact O-N 3.14Å
641S80Confident70.2Confident60 Ų60114.7 Ų114.742%0.4256%0.564SS.*SBendtrans-127.914617571.80000111.5Q643 A644 F645S641-Q643 PolarHBondContact O-N 3.39Å; S641-A644 PolarHBondContact O-N 2.93Å; S641-A644 VanDerWaalsContact O-N 3.16Å; S641-A644 WeakPolarHBondContact OG-CB 3.46Å; S641-A644 PolarHBondContact OG-N 3.29Å; S641-F645 PolarHBondContact O-N 3.3Å; S641-F645 VanDerWaalsContact O-N 3.12Å
642S79Confident71.6Confident89 Ų89112.6 Ų112.662%0.62256%0.556SS**Hα-helixtrans-56.5-40.4174.950.80000111.2A644 F645 F646S642-A644 PolarHBondContact O-N 2.8Å; S642-F645 WeakPolarHBondContact O-CB 3.44Å; S642-F645 PolarHBondContact O-N 2.88Å; S642-F645 VanDerWaalsContact O-N 3.16Å; S642-F646 WeakPolarHBondContact O-CD2 3.41Å; S642-F646 PolarHBondContact O-N 3.14Å
643Q80.7Confident73.2Confident159 Ų159109.6 Ų109.674%0.74354%0.542SS*.Hα-helixtrans-60.5-40.8176.6-168-1808.300112.9S641 F645 F646 S647S641-Q643 PolarHBondContact O-N 3.39Å; Q643-F645 VanDerWaalsContact C-N 3.34Å; Q643-F646 PolarHBondContact O-N 3.33Å; Q643-S647 WeakPolarHBondContact O-CB 3.47Å; Q643-S647 PolarHBondContact O-N 3.29Å; Q643-S647 PolarHBondContact O-OG 3.42Å
644A79.4Confident74.6Confident23 Ų23108.3 Ų108.319%0.1954%0.535CS..Hα-helixtrans-71.1-29.8177.100000112.6S641 S642 S647 K648S641-A644 PolarHBondContact O-N 2.93Å; S641-A644 VanDerWaalsContact O-N 3.16Å; S641-A644 WeakPolarHBondContact OG-CB 3.46Å; S641-A644 PolarHBondContact OG-N 3.29Å; S642-A644 PolarHBondContact O-N 2.8Å; A644-S647 WeakPolarHBondContact CA-OG 3.2Å; A644-S647 PolarHBondContact O-OG 3.09Å; A644-K648 WeakPolarHBondContact O-CB 3.3Å; A644-K648 PolarHBondContact O-N 3.38Å
645F85.3Confident75.6Confident102 Ų102103.5 Ų103.545%0.44752%0.52SS..Hα-helixtrans-68.5-49.4172.7-179.8-92.7000111.1L639 S641 S642 Q643 S647 K648 L649L639-F645 HydrophobicContact CD2-CB 4.46Å; L639-F645 HydrophobicContact CD2-CD2 4.22Å; S641-F645 PolarHBondContact O-N 3.3Å; S641-F645 VanDerWaalsContact O-N 3.12Å; S642-F645 WeakPolarHBondContact O-CB 3.44Å; S642-F645 PolarHBondContact O-N 2.88Å; S642-F645 VanDerWaalsContact O-N 3.16Å; Q643-F645 VanDerWaalsContact C-N 3.34Å; F645-S647 PolarHBondContact O-N 3.12Å; F645-K648 PolarHBondContact O-N 3.41Å; F645-L649 PolarHBondContact O-N 2.86Å
646F84.8Confident76.8Confident113 Ų113100.4 Ų100.450%0.49651%0.508SS..Hα-helixtrans-69.2-32.7-179.9-72.5-68.5000113S642 Q643 K648 L649 Q650S642-F646 WeakPolarHBondContact O-CD2 3.41Å; S642-F646 PolarHBondContact O-N 3.14Å; Q643-F646 PolarHBondContact O-N 3.33Å; F646-K648 VanDerWaalsContact C-N 3.33Å; F646-L649 HydrophobicContact CD1-CD2 4.22Å; F646-L649 PolarHBondContact O-N 3.43Å; F646-Q650 WeakPolarHBondContact O-CB 3.45Å; F646-Q650 VanDerWaalsContact O-CG 3.26Å; F646-Q650 WeakPolarHBondContact O-CG 3.38Å; F646-Q650 PolarHBondContact O-N 3.22Å
647S82.3Confident77.9Confident51 Ų5197.3 Ų97.336%0.35749%0.49SS..Hα-helixtrans-63.3-41.6171.764.60000111.4Q643 A644 F645 L649 Q650 D651Q643-S647 WeakPolarHBondContact O-CB 3.47Å; Q643-S647 PolarHBondContact O-N 3.29Å; Q643-S647 PolarHBondContact O-OG 3.42Å; A644-S647 WeakPolarHBondContact CA-OG 3.2Å; A644-S647 PolarHBondContact O-OG 3.09Å; F645-S647 PolarHBondContact O-N 3.12Å; S647-L649 VanDerWaalsContact C-N 3.35Å; S647-L649 PolarHBondContact O-N 3.37Å; S647-Q650 PolarHBondContact O-N 3.47Å; S647-D651 WeakPolarHBondContact O-CB 3.18Å; S647-D651 PolarHBondContact O-N 3.42Å
648K83Confident78.3Confident89 Ų8993.7 Ų93.739%0.38748%0.48SS..Hα-helixtrans-65.6-38.9176.2-168.9176-175.4177.30111.7L639 A644 F645 F646 D651 Q652L639-K648 HydrophobicContact CD2-CD 4.04Å; A644-K648 WeakPolarHBondContact O-CB 3.3Å; A644-K648 PolarHBondContact O-N 3.38Å; F645-K648 PolarHBondContact O-N 3.41Å; F646-K648 VanDerWaalsContact C-N 3.33Å; K648-D651 PolarHBondContact O-N 2.82Å; K648-Q652 WeakPolarHBondContact O-CB 3.46Å; K648-Q652 PolarHBondContact O-N 3.4Å
649L83.2Confident78.6Confident78 Ų7895.8 Ų95.841%0.40848%0.482SS..Hα-helixtrans-64.4-47.1175.1-167.882.6000111.2F645 F646 S647 D651 Q652 V653F645-L649 PolarHBondContact O-N 2.86Å; F646-L649 HydrophobicContact CD1-CD2 4.22Å; F646-L649 PolarHBondContact O-N 3.43Å; S647-L649 VanDerWaalsContact C-N 3.35Å; S647-L649 PolarHBondContact O-N 3.37Å; L649-D651 VanDerWaalsContact C-N 3.31Å; L649-D651 PolarHBondContact O-N 2.91Å; L649-Q652 PolarHBondContact O-N 3.36Å; L649-V653 WeakPolarHBondContact O-CG2 3.22Å; L649-V653 PolarHBondContact O-N 2.92Å
650Q85.4Confident78.9Confident114 Ų11494.6 Ų94.653%0.53349%0.487SS..Hα-helixtrans-62-39.1176.2-73.91771.700111.7F646 S647 V653 K654F646-Q650 WeakPolarHBondContact O-CB 3.45Å; F646-Q650 VanDerWaalsContact O-CG 3.26Å; F646-Q650 WeakPolarHBondContact O-CG 3.38Å; F646-Q650 PolarHBondContact O-N 3.22Å; S647-Q650 PolarHBondContact O-N 3.47Å; Q650-V653 PolarHBondContact O-N 3.25Å; Q650-K654 WeakPolarHBondContact O-CB 3.32Å; Q650-K654 VanDerWaalsContact O-CG 3.24Å; Q650-K654 WeakPolarHBondContact O-CG 3.29Å; Q650-K654 PolarHBondContact O-N 2.89Å
651D80Confident78.8Confident78 Ų7892.9 Ų92.942%0.41748%0.479SS..Hα-helixtrans-68.5-36.6176.2-72.8-19.4000111.9S647 K648 L649 K654 M655S647-D651 WeakPolarHBondContact O-CB 3.18Å; S647-D651 PolarHBondContact O-N 3.42Å; K648-D651 PolarHBondContact O-N 2.82Å; L649-D651 VanDerWaalsContact C-N 3.31Å; L649-D651 PolarHBondContact O-N 2.91Å; D651-K654 PolarHBondContact O-N 3.14Å; D651-M655 WeakPolarHBondContact O-CB 3.3Å; D651-M655 WeakPolarHBondContact O-CG 3.29Å; D651-M655 PolarHBondContact O-N 3.49Å
652Q83.5Confident77.9Confident104 Ų10496.7 Ų96.749%0.48649%0.49SS..Hα-helixtrans-67-40.5173.9-170.2172.4-7.800111.6K648 L649 M655 Q656K648-Q652 WeakPolarHBondContact O-CB 3.46Å; K648-Q652 PolarHBondContact O-N 3.4Å; L649-Q652 PolarHBondContact O-N 3.36Å; Q652-M655 WeakPolarHBondContact O-CB 3.29Å; Q652-M655 PolarHBondContact O-N 3.48Å; Q652-Q656 WeakPolarHBondContact O-CG 3.28Å; Q652-Q656 PolarHBondContact O-N 3.44Å
653V83.2Confident76.6Confident71 Ų7198.6 Ų98.643%0.4350%0.501SS..Hα-helixtrans-65.2-43.3173.11710000110.7L649 Q650 M655 Q656 I657L649-V653 WeakPolarHBondContact O-CG2 3.22Å; L649-V653 PolarHBondContact O-N 2.92Å; Q650-V653 PolarHBondContact O-N 3.25Å; V653-M655 VanDerWaalsContact C-N 3.32Å; V653-M655 PolarHBondContact O-N 2.87Å; V653-Q656 PolarHBondContact O-N 3.07Å; V653-I657 HydrophobicContact CG1-CD1 3.68Å; V653-I657 HydrophobicContact CG1-CG1 4.41Å; V653-I657 WeakPolarHBondContact O-CB 3.28Å; V653-I657 WeakPolarHBondContact O-CD1 3.34Å; V653-I657 WeakPolarHBondContact O-CG1 3.48Å; V653-I657 PolarHBondContact O-N 2.9Å
654K81.6Confident75.4Confident115 Ų11593.4 Ų93.450%0.549%0.49SS..Hα-helixtrans-62.6-37.3174.3-75.5171.2-174.6171.60112.4Q650 D651 I657 N658Q650-K654 WeakPolarHBondContact O-CB 3.32Å; Q650-K654 VanDerWaalsContact O-CG 3.24Å; Q650-K654 WeakPolarHBondContact O-CG 3.29Å; Q650-K654 PolarHBondContact O-N 2.89Å; D651-K654 PolarHBondContact O-N 3.14Å; K654-I657 PolarHBondContact O-N 3.3Å; K654-N658 VanDerWaalsContact O-CB 3.3Å; K654-N658 WeakPolarHBondContact O-CB 3.25Å; K654-N658 PolarHBondContact O-N 3.47Å; K654-N658 PolarHBondContact O-ND2 3.34Å
655M75.5Confident74.1Confident56 Ų56101.4 Ų101.428%0.27652%0.52SS..Hα-helixtrans-61.5-50.5173-82.4-172.764.900111.5R634 D651 Q652 V653 I657 N658 E659R634-M655 PolarHBondContact NH1-SD 3.15Å; D651-M655 WeakPolarHBondContact O-CB 3.3Å; D651-M655 WeakPolarHBondContact O-CG 3.29Å; D651-M655 PolarHBondContact O-N 3.49Å; Q652-M655 WeakPolarHBondContact O-CB 3.29Å; Q652-M655 PolarHBondContact O-N 3.48Å; V653-M655 VanDerWaalsContact C-N 3.32Å; V653-M655 PolarHBondContact O-N 2.87Å; M655-I657 VanDerWaalsContact C-N 3.28Å; M655-I657 PolarHBondContact O-N 3.45Å; M655-N658 PolarHBondContact O-N 3.01Å; M655-N658 VanDerWaalsContact O-N 3.09Å; M655-E659 WeakPolarHBondContact O-CB 3.49Å; M655-E659 WeakPolarHBondContact O-CG 3.46Å; M655-E659 PolarHBondContact O-N 3.37Å
656Q79.3Confident72.4Confident114 Ų114104.5 Ų104.553%0.53354%0.54SS..Hα-helixtrans-62.3-37.9179.1-72.2177.3-13.600111.6Q652 V653 A660Q652-Q656 WeakPolarHBondContact O-CG 3.28Å; Q652-Q656 PolarHBondContact O-N 3.44Å; V653-Q656 PolarHBondContact O-N 3.07Å; Q656-A660 WeakPolarHBondContact O-CB 3.41Å; Q656-A660 PolarHBondContact O-N 3.48Å
657I76.4Confident70.5Confident75 Ų75108.1 Ų108.139%0.38556%0.556SS.*Hα-helixtrans-65.6-40.4173.8-68165.3000111.2V653 K654 M655 A660 K661V653-I657 HydrophobicContact CG1-CD1 3.68Å; V653-I657 HydrophobicContact CG1-CG1 4.41Å; V653-I657 WeakPolarHBondContact O-CB 3.28Å; V653-I657 WeakPolarHBondContact O-CD1 3.34Å; V653-I657 WeakPolarHBondContact O-CG1 3.48Å; V653-I657 PolarHBondContact O-N 2.9Å; K654-I657 PolarHBondContact O-N 3.3Å; M655-I657 VanDerWaalsContact C-N 3.28Å; M655-I657 PolarHBondContact O-N 3.45Å; I657-A660 PolarHBondContact O-N 3.36Å; I657-K661 HydrophobicContact CG2-CD 4.06Å; I657-K661 HydrophobicContact CG2-CG 4.42Å; I657-K661 VanDerWaalsContact O-CB 3.32Å; I657-K661 WeakPolarHBondContact O-CB 3.25Å; I657-K661 VanDerWaalsContact O-CG 3.29Å; I657-K661 WeakPolarHBondContact O-CG 3.41Å; I657-K661 PolarHBondContact O-N 3.48Å
658N69.4Low68.7Low103 Ų103114.9 Ų114.955%0.55158%0.578SS**Hα-helixtrans-72.2-35.6178.8-76.2-22000112.5K654 M655 K661 Q662K654-N658 VanDerWaalsContact O-CB 3.3Å; K654-N658 WeakPolarHBondContact O-CB 3.25Å; K654-N658 PolarHBondContact O-N 3.47Å; K654-N658 PolarHBondContact O-ND2 3.34Å; M655-N658 PolarHBondContact O-N 3.01Å; M655-N658 VanDerWaalsContact O-N 3.09Å; N658-K661 PolarHBondContact O-N 3.39Å; N658-Q662 PolarHBondContact O-N 3.03Å
659E68.4Low66.7Low129 Ų129120.1 Ų120.160%0.60360%0.601SS**Hα-helixtrans-65.6-41170.9-74173.9-177.400110.7M655 Q662M655-E659 WeakPolarHBondContact O-CB 3.49Å; M655-E659 WeakPolarHBondContact O-CG 3.46Å; M655-E659 PolarHBondContact O-N 3.37Å; E659-Q662 PolarHBondContact O-N 3.44Å
660A67.7Low64.7Low75 Ų75125 Ų12562%0.6262%0.619SS**Hα-helixtrans-69.7-30.317500000113.6Q656 I657 Q662Q656-A660 WeakPolarHBondContact O-CB 3.41Å; Q656-A660 PolarHBondContact O-N 3.48Å; I657-A660 PolarHBondContact O-N 3.36Å; A660-Q662 VanDerWaalsContact C-N 3.31Å; A660-Q662 PolarHBondContact O-N 3.02Å
661K66.8Low62.5Low153 Ų153128 Ų12867%0.66563%0.633SS**THydrogen-bonded Turntrans-77.8-8.8176.8-80.4-178.5178.7-177.20114.1I657 N658 P663I657-K661 HydrophobicContact CG2-CD 4.06Å; I657-K661 HydrophobicContact CG2-CG 4.42Å; I657-K661 VanDerWaalsContact O-CB 3.32Å; I657-K661 WeakPolarHBondContact O-CB 3.25Å; I657-K661 VanDerWaalsContact O-CG 3.29Å; I657-K661 WeakPolarHBondContact O-CG 3.41Å; I657-K661 PolarHBondContact O-N 3.48Å; N658-K661 PolarHBondContact O-N 3.39Å; K661-P663 VanDerWaalsContact C-CD 3.41Å; K661-P663 WeakPolarHBondContact O-CD 3.08Å
662Q60.3Low60.5Low139 Ų139131.3 Ų131.365%0.6565%0.651SS**  trans-121.766.7177-69.5-73.5-1300112.4N658 E659 A660 G664N658-Q662 PolarHBondContact O-N 3.03Å; E659-Q662 PolarHBondContact O-N 3.44Å; A660-Q662 VanDerWaalsContact C-N 3.31Å; A660-Q662 PolarHBondContact O-N 3.02Å; Q662-G664 PolarHBondContact O-N 3.2Å; Q662-G664 VanDerWaalsContact O-N 3.07Å
663P52.7Low58.5Low129 Ų129133.6 Ų133.684%0.83867%0.665SS**  trans-8128.1174.535.5-35.2000113.1K661K661-P663 VanDerWaalsContact C-CD 3.41Å; K661-P663 WeakPolarHBondContact O-CD 3.08Å
664G56.3Low56.2Low50 Ų50135.2 Ų135.252%0.51568%0.679SS.*SBendtrans-169.979.6-174.600000114.7Q662Q662-G664 PolarHBondContact O-N 3.2Å; Q662-G664 VanDerWaalsContact O-N 3.07Å
665K52.1Low54.6Low192 Ų192136 Ų13684%0.83569%0.694SS**  trans175.969.9146.3-95.4159.9-169.2-177.70110.7
666I49Very low53.1Low167 Ų167141.6 Ų141.686%0.85672%0.719SS**  trans-100.681.6153.1-57.2175.7000106.6
667K44.6Very low51.6Low189 Ų189145.7 Ų145.782%0.82274%0.735SS**  trans-88.9110.7158.1-77.7-170.9178.1-176.20106.7K669K667-K669 PolarHBondContact O-N 3.07Å
668K45.1Very low49.9Very low193 Ų193150.5 Ų150.584%0.83976%0.76SS**  trans-52.8110.4165.5-66.8179.1177.8179.90108K670K668-K670 PolarHBondContact O-N 3.44Å
669K40.4Very low48.9Very low199 Ų199155.3 Ų155.387%0.86578%0.776SS**  trans-75.2102.3160.9-78.1-174176.6-1780106.5K667 Q671K667-K669 PolarHBondContact O-N 3.07Å; K669-Q671 PolarHBondContact O-N 3.45Å
670K40.3Very low47.8Very low179 Ų179160.5 Ų160.578%0.77881%0.807SS**  trans-65.5122.6157-70.2-177.2176.3-176.20106.1K668 D672K668-K670 PolarHBondContact O-N 3.44Å; K670-D672 PolarHBondContact O-N 3.24Å
671Q40.4Very low46.8Very low177 Ų177164.8 Ų164.883%0.82782%0.816SS**  trans-80.7107.6163-73.2-174.4-14.400106.2K669 I673K669-Q671 PolarHBondContact O-N 3.45Å; Q671-I673 PolarHBondContact O-N 3.44Å
672D37.3Very low45.7Very low149 Ų149165.4 Ų165.480%0.79782%0.824SS**  trans-74111.4167.3-67-33.7000107.6K670 S674K670-D672 PolarHBondContact O-N 3.24Å; D672-S674 PolarHBondContact O-N 3.22Å
673I40.9Very low44.9Very low151 Ų151166.9 Ų166.977%0.77483%0.834SS**  trans-78.9106.3172-61.4163.2000106.6Q671 V675Q671-I673 PolarHBondContact O-N 3.44Å; I673-V675 PolarHBondContact O-N 3.35Å
674S36.5Very low44.5Very low105 Ų105169.1 Ų169.173%0.73483%0.834SS**  trans-72.8117.8170.2173.50000109.8D672 H676D672-S674 PolarHBondContact O-N 3.22Å; S674-H676 PolarHBondContact O-N 3.33Å
675V47.1Very low43.7Very low133 Ų133176.6 Ų176.681%0.80685%0.854SS**  trans-778.8-175.1172.60000113.4I673I673-V675 PolarHBondContact O-N 3.35Å
676H44.5Very low43.2Very low172 Ų172175.5 Ų175.580%0.79686%0.855SS**  trans-98.815-164.5-119.6-45.6000118.5S674S674-H676 PolarHBondContact O-N 3.33Å
677K48.3Very low42.8Very low200 Ų200176.1 Ų176.187%0.8786%0.855SS**SBendtrans-134.741179.3-72.8-170.3177.4-177.60115.5
678L40.1Very low42.6Very low176 Ų176175.2 Ų175.292%0.92186%0.857SS**  trans-136.894.9164.8-74.2170.6000111
679K47.8Very low42.4Very low205 Ų205173.7 Ų173.789%0.89186%0.859SS**  trans-151.5122.2150.4-90.3-172177.4-178.40103.7
680L45.5Very low42.6Very low238 Ų238171.4 Ų171.4100%1.24686%0.858SS**  cis-149.60-0.7-131.6160.3000105.6

Retrieved 680 of 680 residues in 81 ms (Link to these results)

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