A0A2K5YJR7_MANLE Loading...

Small glutamine-rich tetratricopeptide repeat-containing protein beta

Co-chaperone that binds directly to HSC70 and HSP70 and regulates their ATPase activity.

AlphaFold DB , UniProt , Accession A0A2K5YJR7, Species MANLE (Mandrillus leucophaeus, Drill), Gene SGTB, Length 304 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M58.1Low85.7Confident201 Ų20172.5 Ų72.599%0.9940%0.396SS*.  0-390-80.2-171.3-179.900113.4S3 I4 K5M1-S3 PolarHBondContact O-N 3.32Å; M1-I4 PolarHBondContact O-N 3.3Å; M1-K5 PolarHBondContact O-N 2.91Å
2S74.1Confident86.4Confident77 Ų7766.8 Ų66.854%0.53836%0.364SS..Hα-helixtrans-54.5-50-178.8-171.70000113.7I4 K5 H6S2-I4 VanDerWaalsContact C-N 3.32Å; S2-I4 PolarHBondContact O-N 3.31Å; S2-K5 PolarHBondContact O-N 3.17Å; S2-K5 VanDerWaalsContact O-N 3.09Å; S2-H6 PolarHBondContact O-N 3.46Å; S2-H6 VanDerWaalsContact O-N 3.16Å; S2-H6 PolarHBondContact O-ND1 3.43Å; S2-H6 PolarHBondContact OG-CE1 3.22Å; S2-H6 VanDerWaalsContact OG-CE1 3.25Å
3S80.2Confident86.7Confident100 Ų10070.2 Ų70.270%0.69937%0.369SS*.Hα-helixtrans-63.4-32.4-177.6-41.20000114.3M1 H6 L7M1-S3 PolarHBondContact O-N 3.32Å; S3-H6 PolarHBondContact O-N 3.05Å; S3-L7 PolarHBondContact O-N 3.29Å; S3-L7 VanDerWaalsContact O-N 3.14Å
4I88.3Confident87.2Confident97 Ų9769.3 Ų69.350%0.49736%0.36SS..Hα-helixtrans-67.2-41.3176.2-64.4170.2000109.9M1 S2 H6 L7 V8 F43M1-I4 PolarHBondContact O-N 3.3Å; S2-I4 VanDerWaalsContact C-N 3.32Å; S2-I4 PolarHBondContact O-N 3.31Å; I4-H6 VanDerWaalsContact C-N 3.34Å; I4-H6 PolarHBondContact O-N 3.43Å; I4-L7 PolarHBondContact O-N 2.9Å; I4-V8 HydrophobicContact CG2-CG2 4.32Å; I4-V8 WeakPolarHBondContact O-CG2 3.45Å; I4-V8 PolarHBondContact O-N 2.89Å; I4-F43 HydrophobicContact CG2-CD1 4.21Å; I4-F43 HydrophobicContact CG2-CE1 3.85Å
5K90.6Very high87.6Confident70 Ų7066.8 Ų66.830%0.30435%0.348SS..Hα-helixtrans-64.2-37.6176.8-72.3-162.3168.7-146.60112.6M1 S2 V8 Y9 F43 K44 I45 L52M1-K5 PolarHBondContact O-N 2.91Å; S2-K5 PolarHBondContact O-N 3.17Å; S2-K5 VanDerWaalsContact O-N 3.09Å; K5-V8 PolarHBondContact O-N 3.33Å; K5-Y9 VanDerWaalsContact O-CB 3.22Å; K5-Y9 WeakPolarHBondContact O-CB 3.39Å; K5-Y9 PolarHBondContact O-N 3.44Å; K5-F43 VanDerWaalsContact CE-O 3.23Å; K5-F43 WeakPolarHBondContact CE-O 3.31Å; K5-F43 PolarHBondContact NZ-O 3.39Å; K5-K44 PolarHBondContact NZ-O 3.33Å; K5-I45 HydrophobicContact CB-CD1 4.2Å; K5-I45 HydrophobicContact CG-CD1 4.34Å; K5-L52 HydrophobicContact CB-CD1 4.05Å; K5-L52 HydrophobicContact CB-CD2 3.91Å
6H89.3Confident87.7Confident52 Ų5267.6 Ų67.624%0.24135%0.345CS..Hα-helixtrans-63.9-41.9174.9-69.671.6000111.7S2 S3 I4 A10 L52 V54S2-H6 PolarHBondContact O-N 3.46Å; S2-H6 VanDerWaalsContact O-N 3.16Å; S2-H6 PolarHBondContact O-ND1 3.43Å; S2-H6 PolarHBondContact OG-CE1 3.22Å; S2-H6 VanDerWaalsContact OG-CE1 3.25Å; S3-H6 PolarHBondContact O-N 3.05Å; I4-H6 VanDerWaalsContact C-N 3.34Å; I4-H6 PolarHBondContact O-N 3.43Å; H6-A10 WeakPolarHBondContact O-CB 3.47Å; H6-A10 PolarHBondContact O-N 3.25Å; H6-L52 PolarHBondContact CD2-O 3.46Å; H6-V54 HydrophobicContact CB-CG1 4.42Å
7L91.1Very high87.8Confident104 Ų10467.9 Ų67.955%0.54534%0.344SS..Hα-helixtrans-63.5-49.5176178.863.2000111.7S3 I4 Y9 A10 V11S3-L7 PolarHBondContact O-N 3.29Å; S3-L7 VanDerWaalsContact O-N 3.14Å; I4-L7 PolarHBondContact O-N 2.9Å; L7-Y9 VanDerWaalsContact C-N 3.31Å; L7-Y9 PolarHBondContact O-N 3.4Å; L7-A10 WeakPolarHBondContact O-CB 3.32Å; L7-A10 PolarHBondContact O-N 3.19Å; L7-V11 WeakPolarHBondContact O-CG2 3.25Å; L7-V11 PolarHBondContact O-N 3.36Å
8V93Very high87.7Confident15 Ų1566.4 Ų66.49%0.09134%0.336CS..Hα-helixtrans-63.8-39-179.91770000111I4 K5 A10 V11 I12 L39 F43 I45I4-V8 HydrophobicContact CG2-CG2 4.32Å; I4-V8 WeakPolarHBondContact O-CG2 3.45Å; I4-V8 PolarHBondContact O-N 2.89Å; K5-V8 PolarHBondContact O-N 3.33Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 3.47Å; V8-V11 PolarHBondContact O-N 3.02Å; V8-I12 HydrophobicContact CG1-CD1 3.84Å; V8-I12 HydrophobicContact CG1-CG1 4.37Å; V8-I12 WeakPolarHBondContact O-CG1 3.38Å; V8-I12 PolarHBondContact O-N 3.45Å; V8-L39 HydrophobicContact CG1-CB 4.23Å; V8-L39 HydrophobicContact CG1-CD2 4.48Å; V8-F43 HydrophobicContact CB-CD2 4.41Å; V8-F43 HydrophobicContact CB-CG 4.26Å; V8-F43 HydrophobicContact CG1-CB 4.05Å; V8-F43 HydrophobicContact CG1-CD2 3.67Å; V8-F43 HydrophobicContact CG1-CE2 4.27Å; V8-F43 HydrophobicContact CG1-CG 3.85Å; V8-F43 HydrophobicContact CG2-CD1 3.85Å; V8-F43 HydrophobicContact CG2-CD2 3.98Å; V8-F43 HydrophobicContact CG2-CE1 3.85Å; V8-F43 HydrophobicContact CG2-CE2 3.98Å; V8-F43 HydrophobicContact CG2-CG 3.91Å; V8-F43 HydrophobicContact CG2-CZ 3.91Å; V8-I45 HydrophobicContact CB-CD1 3.74Å; V8-I45 HydrophobicContact CG1-CD1 3.68Å
9Y93.1Very high87.6Confident28 Ų2864.2 Ų64.211%0.1133%0.327CS..Hα-helixtrans-60.9-42.1173.8-172.3-93000111.9K5 L7 V11 I12 R13 I45 P47 D49 L52 A53K5-Y9 VanDerWaalsContact O-CB 3.22Å; K5-Y9 WeakPolarHBondContact O-CB 3.39Å; K5-Y9 PolarHBondContact O-N 3.44Å; L7-Y9 VanDerWaalsContact C-N 3.31Å; L7-Y9 PolarHBondContact O-N 3.4Å; Y9-V11 VanDerWaalsContact C-N 3.35Å; Y9-V11 PolarHBondContact O-N 2.88Å; Y9-I12 PolarHBondContact O-N 3.45Å; Y9-R13 WeakPolarHBondContact O-CB 3.3Å; Y9-R13 PolarHBondContact O-N 3.19Å; Y9-I45 HydrophobicContact CD2-CG2 3.59Å; Y9-I45 HydrophobicContact CE2-CG2 4.39Å; Y9-P47 PolarHBondContact OH-O 3.04Å; Y9-D49 HydrophobicContact CD2-CB 4.33Å; Y9-D49 HydrophobicContact CE2-CB 4.05Å; Y9-D49 WeakPolarHBondContact CE2-O 3.48Å; Y9-L52 HydrophobicContact CD1-CB 3.97Å; Y9-L52 HydrophobicContact CD2-CB 3.93Å; Y9-L52 HydrophobicContact CD2-CD1 4.13Å; Y9-L52 HydrophobicContact CG-CB 3.6Å; Y9-L52 HydrophobicContact CG-CD1 4.38Å; Y9-A53 HydrophobicContact CE1-CB 3.91Å
10A92.1Very high87.4Confident7 Ų769.1 Ų69.16%0.05835%0.349CS..Hα-helixtrans-63-39.3175.200000112.4H6 L7 V8 F14 V54 L58H6-A10 WeakPolarHBondContact O-CB 3.47Å; H6-A10 PolarHBondContact O-N 3.25Å; L7-A10 WeakPolarHBondContact O-CB 3.32Å; L7-A10 PolarHBondContact O-N 3.19Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 3.47Å; A10-F14 WeakPolarHBondContact O-CB 3.46Å; A10-F14 PolarHBondContact O-N 2.95Å; A10-V54 HydrophobicContact CB-CG2 3.86Å; A10-L58 HydrophobicContact CB-CD1 4.44Å
11V93.6Very high87Confident46 Ų4669.8 Ų69.828%0.27935%0.352SS..Hα-helixtrans-65.7-48.3174.8173.90000111.2L7 V8 Y9 R13 F14 L15 L39 L58L7-V11 WeakPolarHBondContact O-CG2 3.25Å; L7-V11 PolarHBondContact O-N 3.36Å; V8-V11 PolarHBondContact O-N 3.02Å; Y9-V11 VanDerWaalsContact C-N 3.35Å; Y9-V11 PolarHBondContact O-N 2.88Å; V11-R13 VanDerWaalsContact C-N 3.28Å; V11-R13 PolarHBondContact O-N 3.01Å; V11-F14 WeakPolarHBondContact O-CB 3.4Å; V11-F14 PolarHBondContact O-N 2.88Å; V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 HydrophobicContact CG1-CG 4.32Å; V11-L15 WeakPolarHBondContact O-CG 3.34Å; V11-L15 PolarHBondContact O-N 3.21Å; V11-L39 HydrophobicContact CG1-CD1 4.01Å; V11-L58 HydrophobicContact CB-CD2 4.44Å; V11-L58 HydrophobicContact CG2-CD2 3.8Å
12I93.5Very high87.8Confident4 Ų468 Ų682%0.02135%0.346CS..Hα-helixtrans-56.6-45.2177.3-73163.2000110.6V8 Y9 L15 R16 I36 L39 E40 I45V8-I12 HydrophobicContact CG1-CD1 3.84Å; V8-I12 HydrophobicContact CG1-CG1 4.37Å; V8-I12 WeakPolarHBondContact O-CG1 3.38Å; V8-I12 PolarHBondContact O-N 3.45Å; Y9-I12 PolarHBondContact O-N 3.45Å; I12-L15 PolarHBondContact O-N 2.84Å; I12-R16 WeakPolarHBondContact O-CG 3.42Å; I12-R16 PolarHBondContact O-N 3.01Å; I12-I36 HydrophobicContact CG2-CG2 4.06Å; I12-L39 HydrophobicContact CD1-CB 3.93Å; I12-L39 HydrophobicContact CG1-CB 3.82Å; I12-L39 HydrophobicContact CG1-CD1 4.13Å; I12-E40 HydrophobicContact CD1-CG 3.78Å; I12-E40 HydrophobicContact CG1-CG 4.5Å; I12-E40 HydrophobicContact CG2-CG 4.47Å; I12-I45 HydrophobicContact CD1-CB 4.28Å; I12-I45 HydrophobicContact CD1-CG2 3.97Å
13R91Very high88.2Confident112 Ų11269 Ų6942%0.42335%0.349SS..Hα-helixtrans-62.4-44.9178.3-177.5179.3161.1175.6-2.3111.9Y9 V11 R16 E17Y9-R13 WeakPolarHBondContact O-CB 3.3Å; Y9-R13 PolarHBondContact O-N 3.19Å; V11-R13 VanDerWaalsContact C-N 3.28Å; V11-R13 PolarHBondContact O-N 3.01Å; R13-R16 PolarHBondContact O-N 3.25Å; R13-E17 IonicContact CZ-OE1 3.54Å; R13-E17 IonicContact NE-OE1 3.67Å; R13-E17 PolarHBondContact NE-OE1 2.8Å; R13-E17 IonicContact NH2-OE1 2.95Å; R13-E17 WeakPolarHBondContact O-CG 3.41Å; R13-E17 PolarHBondContact O-N 3.45Å
14F93.4Very high88.5Confident57 Ų5768.1 Ų68.125%0.2533%0.331CS..Hα-helixtrans-58.6-48.6175168.1-102.7000111.8A10 V11 R16 E17 Q18 L58 T59A10-F14 WeakPolarHBondContact O-CB 3.46Å; A10-F14 PolarHBondContact O-N 2.95Å; V11-F14 WeakPolarHBondContact O-CB 3.4Å; V11-F14 PolarHBondContact O-N 2.88Å; F14-R16 VanDerWaalsContact C-N 3.28Å; F14-R16 PolarHBondContact O-N 3.46Å; F14-E17 WeakPolarHBondContact O-CB 3.35Å; F14-E17 PolarHBondContact O-N 3.4Å; F14-E17 VanDerWaalsContact O-N 3.14Å; F14-Q18 HydrophobicContact CD1-CG 4.39Å; F14-Q18 HydrophobicContact CD2-CG 4.25Å; F14-Q18 HydrophobicContact CE1-CG 3.9Å; F14-Q18 HydrophobicContact CE2-CG 3.75Å; F14-Q18 HydrophobicContact CZ-CG 3.56Å; F14-Q18 WeakPolarHBondContact O-CG 3.36Å; F14-Q18 PolarHBondContact O-N 3.18Å; F14-L58 HydrophobicContact CB-CB 4.36Å; F14-L58 HydrophobicContact CB-CD2 4.15Å; F14-L58 HydrophobicContact CG-CD2 4.46Å; F14-T59 HydrophobicContact CD2-CG2 3.84Å; F14-T59 HydrophobicContact CE2-CG2 3.59Å
15L92.3Very high88.5Confident32 Ų3267.4 Ų67.417%0.16833%0.331CS..Hα-helixtrans-61.1-36.4178.7-65.2177.2000112V11 I12 Q18 S19 L32 I36 L39V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 HydrophobicContact CG1-CG 4.32Å; V11-L15 WeakPolarHBondContact O-CG 3.34Å; V11-L15 PolarHBondContact O-N 3.21Å; I12-L15 PolarHBondContact O-N 2.84Å; L15-Q18 PolarHBondContact O-N 3.37Å; L15-S19 PolarHBondContact O-N 3.32Å; L15-L32 HydrophobicContact CB-CD1 3.71Å; L15-L32 HydrophobicContact CB-CG 4.5Å; L15-L32 HydrophobicContact CD1-CD1 4.42Å; L15-L32 HydrophobicContact CD2-CD1 3.52Å; L15-L32 HydrophobicContact CG-CD1 4.04Å; L15-L32 WeakPolarHBondContact O-CD2 3.45Å; L15-I36 HydrophobicContact CB-CD1 3.95Å; L15-I36 HydrophobicContact CB-CG1 3.7Å; L15-I36 HydrophobicContact CD1-CG1 4.23Å; L15-L39 HydrophobicContact CD1-CD1 4Å
16R90.1Very high88.5Confident80 Ų8068.2 Ų68.230%0.30235%0.345SS..Hα-helixtrans-66.2-42173.7-75.9178.7173.5-169.1-2112.8I12 R13 F14 Q18 S19 Q20 I36 E40I12-R16 WeakPolarHBondContact O-CG 3.42Å; I12-R16 PolarHBondContact O-N 3.01Å; R13-R16 PolarHBondContact O-N 3.25Å; F14-R16 VanDerWaalsContact C-N 3.28Å; F14-R16 PolarHBondContact O-N 3.46Å; R16-Q18 VanDerWaalsContact C-N 3.29Å; R16-Q18 PolarHBondContact O-N 3.31Å; R16-S19 PolarHBondContact O-N 3.26Å; R16-Q20 WeakPolarHBondContact O-CG 3.47Å; R16-Q20 PolarHBondContact O-N 3.03Å; R16-I36 HydrophobicContact CG-CD1 3.7Å; R16-I36 HydrophobicContact CG-CG1 4.43Å; R16-I36 HydrophobicContact CG-CG2 4.49Å; R16-E40 IonicContact CZ-OE1 2.6Å; R16-E40 IonicContact NH2-OE1 3.89Å; R16-E40 PolarHBondContact NH2-OE1 2.83Å; R16-E40 IonicContact NH2-OE2 3.44Å
17E88.8Confident88.5Confident72 Ų7271.3 Ų71.334%0.33636%0.364SS..Hα-helixtrans-61.5-39.9174.7-71.6169.3-171.800110.5R13 F14 Q20 M21R13-E17 IonicContact CZ-OE1 3.54Å; R13-E17 IonicContact NE-OE1 3.67Å; R13-E17 PolarHBondContact NE-OE1 2.8Å; R13-E17 IonicContact NH2-OE1 2.95Å; R13-E17 WeakPolarHBondContact O-CG 3.41Å; R13-E17 PolarHBondContact O-N 3.45Å; F14-E17 WeakPolarHBondContact O-CB 3.35Å; F14-E17 PolarHBondContact O-N 3.4Å; F14-E17 VanDerWaalsContact O-N 3.14Å; E17-Q20 PolarHBondContact O-N 3.4Å; E17-M21 WeakPolarHBondContact O-CG 3.38Å
18Q86.4Confident88.5Confident42 Ų4270.8 Ų70.820%0.19636%0.359CS..Hα-helixtrans-67.3-38.3174.6-63.6-49.8-84.500112.9F14 L15 R16 Q20 M21 Y24 L32F14-Q18 HydrophobicContact CD1-CG 4.39Å; F14-Q18 HydrophobicContact CD2-CG 4.25Å; F14-Q18 HydrophobicContact CE1-CG 3.9Å; F14-Q18 HydrophobicContact CE2-CG 3.75Å; F14-Q18 HydrophobicContact CZ-CG 3.56Å; F14-Q18 WeakPolarHBondContact O-CG 3.36Å; F14-Q18 PolarHBondContact O-N 3.18Å; L15-Q18 PolarHBondContact O-N 3.37Å; R16-Q18 VanDerWaalsContact C-N 3.29Å; R16-Q18 PolarHBondContact O-N 3.31Å; Q18-Q20 PolarHBondContact O-N 3.05Å; Q18-M21 WeakPolarHBondContact O-CB 3.43Å; Q18-M21 PolarHBondContact O-N 3Å; Q18-Y24 HydrophobicContact CB-CE2 3.93Å; Q18-Y24 WeakPolarHBondContact O-CD2 3.36Å; Q18-Y24 WeakPolarHBondContact O-CE2 3.37Å; Q18-Y24 PolarHBondContact OE1-OH 3.42Å; Q18-L32 HydrophobicContact CB-CD2 4.12Å
19S85.6Confident88.4Confident24 Ų2472.9 Ų72.917%0.16837%0.368CS..Hα-helixtrans-62.8-26.7179-176.10000113L15 R16 M21 L32L15-S19 PolarHBondContact O-N 3.32Å; R16-S19 PolarHBondContact O-N 3.26Å; S19-M21 VanDerWaalsContact C-N 3.31Å; S19-L32 VanDerWaalsContact CA-CD2 3.48Å
20Q83.4Confident88.3Confident162 Ų16277.6 Ų77.676%0.75739%0.39SS*.THydrogen-bonded Turntrans-83.4-3.5177.1-66.3176.55.800113.8R16 E17 Q18R16-Q20 WeakPolarHBondContact O-CG 3.47Å; R16-Q20 PolarHBondContact O-N 3.03Å; E17-Q20 PolarHBondContact O-N 3.4Å; Q18-Q20 PolarHBondContact O-N 3.05Å
21M80.1Confident88.4Confident84 Ų8481 Ų8141%0.41441%0.414SS..SBendtrans-88.3133.7177.1-60.1-173.667.300110.3E17 Q18 S19 T23E17-M21 WeakPolarHBondContact O-CG 3.38Å; Q18-M21 WeakPolarHBondContact O-CB 3.43Å; Q18-M21 PolarHBondContact O-N 3Å; S19-M21 VanDerWaalsContact C-N 3.31Å; M21-T23 WeakPolarHBondContact CB-OG1 3.21Å; M21-T23 PolarHBondContact O-N 3.44Å
22D74.2Confident88.3Confident164 Ų16480 Ų8088%0.87741%0.407SS*.THydrogen-bonded Turntrans-70.622.3177.2-68.6-32.1000113.7
23T82.6Confident88.3Confident96 Ų9684.7 Ų84.759%0.58943%0.429SS*.THydrogen-bonded Turntrans-93-12.7-176.946.40000113.7M21M21-T23 WeakPolarHBondContact CB-OG1 3.21Å; M21-T23 PolarHBondContact O-N 3.44Å
24Y85.8Confident88.5Confident83 Ų8382.9 Ų82.933%0.32543%0.43SS..SBendtrans-107.8145.9-174.3-62-76.2000111.7Q18 E28Q18-Y24 HydrophobicContact CB-CE2 3.93Å; Q18-Y24 WeakPolarHBondContact O-CD2 3.36Å; Q18-Y24 WeakPolarHBondContact O-CE2 3.37Å; Q18-Y24 PolarHBondContact OE1-OH 3.42Å; Y24-E28 HydrophobicContact CD1-CB 4.26Å
25T89.8Confident88.6Confident81 Ų8182 Ų8250%0.49743%0.434SS..  trans-69.6162.817062.70000111.1D27 E28 Q29T25-D27 VanDerWaalsContact C-N 3.27Å; T25-D27 PolarHBondContact O-N 3.31Å; T25-E28 WeakPolarHBondContact CB-OE2 3.37Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.32Å; T25-E28 PolarHBondContact N-OE2 3.41Å; T25-E28 PolarHBondContact O-N 3.1Å; T25-E28 VanDerWaalsContact O-N 3.15Å; T25-E28 VanDerWaalsContact OG1-CG 3.23Å; T25-E28 WeakPolarHBondContact OG1-CG 3.36Å; T25-E28 PolarHBondContact OG1-N 3.03Å; T25-E28 PolarHBondContact OG1-OE2 2.76Å; T25-Q29 WeakPolarHBondContact O-CG 3.42Å; T25-Q29 PolarHBondContact O-N 2.97Å
26S88.9Confident88.8Confident87 Ų8781 Ų8161%0.60843%0.428SS*.Hα-helixtrans-56-41.2178.5-170.50000112.6Q29 E30S26-Q29 PolarHBondContact O-N 2.96Å; S26-E30 PolarHBondContact O-N 2.94Å
27D90.4Very high89Confident117 Ų11782.7 Ų82.763%0.62644%0.44SS*.Hα-helixtrans-69-35.3-179.5-63.1-3.2000111.5T25 S31T25-D27 VanDerWaalsContact C-N 3.27Å; T25-D27 PolarHBondContact O-N 3.31Å; D27-S31 WeakPolarHBondContact O-CB 3.39Å; D27-S31 PolarHBondContact O-N 3.27Å; D27-S31 PolarHBondContact O-OG 3.38Å
28E90.7Very high89.4Confident94 Ų9482.6 Ų82.644%0.43945%0.446SS..Hα-helixtrans-70.8-37.5175.3-71.6166.4145.200111.7Y24 T25 S31 L32Y24-E28 HydrophobicContact CD1-CB 4.26Å; T25-E28 WeakPolarHBondContact CB-OE2 3.37Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.32Å; T25-E28 PolarHBondContact N-OE2 3.41Å; T25-E28 PolarHBondContact O-N 3.1Å; T25-E28 VanDerWaalsContact O-N 3.15Å; T25-E28 VanDerWaalsContact OG1-CG 3.23Å; T25-E28 WeakPolarHBondContact OG1-CG 3.36Å; T25-E28 PolarHBondContact OG1-N 3.03Å; T25-E28 PolarHBondContact OG1-OE2 2.76Å; E28-S31 PolarHBondContact O-N 3.21Å; E28-L32 WeakPolarHBondContact O-CB 3.5Å; E28-L32 PolarHBondContact O-N 3.39Å
29Q89.9Confident89.8Confident59 Ų5982.8 Ų82.828%0.27645%0.448SS..Hα-helixtrans-63.4-45.4174.1-73.1178.1-19.900111.4T25 S26 S31 L32 E33T25-Q29 WeakPolarHBondContact O-CG 3.42Å; T25-Q29 PolarHBondContact O-N 2.97Å; S26-Q29 PolarHBondContact O-N 2.96Å; Q29-S31 VanDerWaalsContact C-N 3.32Å; Q29-S31 PolarHBondContact O-N 2.96Å; Q29-L32 WeakPolarHBondContact O-CB 3.31Å; Q29-L32 PolarHBondContact O-N 2.96Å; Q29-E33 WeakPolarHBondContact O-CG 3.3Å; Q29-E33 PolarHBondContact O-N 3.25Å
30E91.8Very high90.3Very high126 Ų12683.3 Ų83.359%0.58945%0.448SS*.Hα-helixtrans-60.4-43.6175-173.4176.7-178.400111.1S26 L32 E33 V34S26-E30 PolarHBondContact O-N 2.94Å; E30-L32 VanDerWaalsContact C-N 3.29Å; E30-L32 PolarHBondContact O-N 2.75Å; E30-E33 PolarHBondContact O-N 2.94Å; E30-V34 WeakPolarHBondContact O-CG2 3.39Å; E30-V34 PolarHBondContact O-N 3.39Å
31S93.7Very high90.8Very high79 Ų7980.8 Ų80.855%0.55244%0.444SS*.Hα-helixtrans-61.1-38.5177.1-61.20000112.5D27 E28 Q29 A35D27-S31 WeakPolarHBondContact O-CB 3.39Å; D27-S31 PolarHBondContact O-N 3.27Å; D27-S31 PolarHBondContact O-OG 3.38Å; E28-S31 PolarHBondContact O-N 3.21Å; Q29-S31 VanDerWaalsContact C-N 3.32Å; Q29-S31 PolarHBondContact O-N 2.96Å; S31-A35 PolarHBondContact O-N 2.94Å; S31-A35 VanDerWaalsContact O-N 3.08Å
32L92.6Very high91.6Very high24 Ų2481.9 Ų81.913%0.12646%0.455CS..Hα-helixtrans-69.2-40.8178.6-172.857.4000111.9L15 Q18 S19 E28 Q29 E30 A35 I36L15-L32 HydrophobicContact CB-CD1 3.71Å; L15-L32 HydrophobicContact CB-CG 4.5Å; L15-L32 HydrophobicContact CD1-CD1 4.42Å; L15-L32 HydrophobicContact CD2-CD1 3.52Å; L15-L32 HydrophobicContact CG-CD1 4.04Å; L15-L32 WeakPolarHBondContact O-CD2 3.45Å; Q18-L32 HydrophobicContact CB-CD2 4.12Å; S19-L32 VanDerWaalsContact CA-CD2 3.48Å; E28-L32 WeakPolarHBondContact O-CB 3.5Å; E28-L32 PolarHBondContact O-N 3.39Å; Q29-L32 WeakPolarHBondContact O-CB 3.31Å; Q29-L32 PolarHBondContact O-N 2.96Å; E30-L32 VanDerWaalsContact C-N 3.29Å; E30-L32 PolarHBondContact O-N 2.75Å; L32-A35 PolarHBondContact O-N 3.35Å; L32-I36 HydrophobicContact CG-CD1 4.41Å; L32-I36 WeakPolarHBondContact O-CD1 3.32Å; L32-I36 WeakPolarHBondContact O-CG1 3.31Å; L32-I36 PolarHBondContact O-N 2.89Å
33E92.9Very high92.5Very high103 Ų10377.3 Ų77.348%0.48143%0.427SS..Hα-helixtrans-62.5-43.6174.1-73-173.717900112.1Q29 E30 A35 I36 Q37Q29-E33 WeakPolarHBondContact O-CG 3.3Å; Q29-E33 PolarHBondContact O-N 3.25Å; E30-E33 PolarHBondContact O-N 2.94Å; E33-A35 VanDerWaalsContact C-N 3.33Å; E33-A35 PolarHBondContact O-N 3.46Å; E33-I36 PolarHBondContact O-N 3.31Å; E33-Q37 WeakPolarHBondContact O-CG 3.44Å; E33-Q37 PolarHBondContact O-N 3.3Å
34V95.7Very high93Very high74 Ų7480.8 Ų80.845%0.44843%0.434SS..Hα-helixtrans-60.4-44.4175.7172.30000110.8E30 I36 Q37 C38E30-V34 WeakPolarHBondContact O-CG2 3.39Å; E30-V34 PolarHBondContact O-N 3.39Å; V34-I36 VanDerWaalsContact C-N 3.34Å; V34-I36 PolarHBondContact O-N 3.45Å; V34-Q37 PolarHBondContact O-N 3.37Å; V34-C38 PolarHBondContact O-N 2.91Å; V34-C38 PolarHBondContact O-SG 3.03Å; V34-C38 VanDerWaalsContact O-SG 3.34Å
35A95.7Very high93.4Very high40 Ų4077 Ų7733%0.33142%0.419SS..Hα-helixtrans-60.5-42.5178.200000112.3S31 L32 E33 C38 L39S31-A35 PolarHBondContact O-N 2.94Å; S31-A35 VanDerWaalsContact O-N 3.08Å; L32-A35 PolarHBondContact O-N 3.35Å; E33-A35 VanDerWaalsContact C-N 3.33Å; E33-A35 PolarHBondContact O-N 3.46Å; A35-C38 PolarHBondContact O-N 3.37Å; A35-L39 WeakPolarHBondContact O-CG 3.43Å; A35-L39 PolarHBondContact O-N 2.98Å; A35-L39 VanDerWaalsContact O-N 3.13Å
36I94.9Very high93.4Very high11 Ų1175.7 Ų75.76%0.05641%0.414CS..Hα-helixtrans-59-50.4175.3-70.8159000110.4I12 L15 R16 L32 E33 V34 C38 L39 E40I12-I36 HydrophobicContact CG2-CG2 4.06Å; L15-I36 HydrophobicContact CB-CD1 3.95Å; L15-I36 HydrophobicContact CB-CG1 3.7Å; L15-I36 HydrophobicContact CD1-CG1 4.23Å; R16-I36 HydrophobicContact CG-CD1 3.7Å; R16-I36 HydrophobicContact CG-CG1 4.43Å; R16-I36 HydrophobicContact CG-CG2 4.49Å; L32-I36 HydrophobicContact CG-CD1 4.41Å; L32-I36 WeakPolarHBondContact O-CD1 3.32Å; L32-I36 WeakPolarHBondContact O-CG1 3.31Å; L32-I36 PolarHBondContact O-N 2.89Å; E33-I36 PolarHBondContact O-N 3.31Å; V34-I36 VanDerWaalsContact C-N 3.34Å; V34-I36 PolarHBondContact O-N 3.45Å; I36-C38 VanDerWaalsContact C-N 3.33Å; I36-C38 PolarHBondContact O-N 2.94Å; I36-L39 PolarHBondContact O-N 3.12Å; I36-L39 VanDerWaalsContact O-N 3.16Å; I36-E40 HydrophobicContact CG2-CG 4.39Å; I36-E40 WeakPolarHBondContact O-CG 3.4Å; I36-E40 PolarHBondContact O-N 3Å
37Q95.4Very high93.1Very high115 Ų11574.1 Ų74.154%0.53740%0.401SS..Hα-helixtrans-62.8-37.9-178.8-69.7176.79.800112.6E33 V34 E40 T41E33-Q37 WeakPolarHBondContact O-CG 3.44Å; E33-Q37 PolarHBondContact O-N 3.3Å; V34-Q37 PolarHBondContact O-N 3.37Å; Q37-E40 PolarHBondContact O-N 3.05Å; Q37-T41 WeakPolarHBondContact O-CB 3.5Å; Q37-T41 PolarHBondContact O-N 3.16Å; Q37-T41 PolarHBondContact O-OG1 2.99Å
38C96.6Very high92.9Very high70 Ų7075.1 Ų75.147%0.47340%0.403SS..Hα-helixtrans-60.7-45.6174.3-72.80000111.5V34 A35 I36 T41 V42V34-C38 PolarHBondContact O-N 2.91Å; V34-C38 PolarHBondContact O-SG 3.03Å; V34-C38 VanDerWaalsContact O-SG 3.34Å; A35-C38 PolarHBondContact O-N 3.37Å; I36-C38 VanDerWaalsContact C-N 3.33Å; I36-C38 PolarHBondContact O-N 2.94Å; C38-T41 PolarHBondContact O-N 3.45Å; C38-V42 WeakPolarHBondContact O-CB 3.32Å; C38-V42 VanDerWaalsContact O-CG2 3.25Å; C38-V42 WeakPolarHBondContact O-CG2 3.38Å; C38-V42 PolarHBondContact O-N 3.06Å
39L95.5Very high92.7Very high46 Ų4672.5 Ų72.524%0.24139%0.392CS..Hα-helixtrans-66.2-43.8179.1-68.7173.4000111.9V8 V11 I12 L15 A35 I36 T41 F43V8-L39 HydrophobicContact CG1-CB 4.23Å; V8-L39 HydrophobicContact CG1-CD2 4.48Å; V11-L39 HydrophobicContact CG1-CD1 4.01Å; I12-L39 HydrophobicContact CD1-CB 3.93Å; I12-L39 HydrophobicContact CG1-CB 3.82Å; I12-L39 HydrophobicContact CG1-CD1 4.13Å; L15-L39 HydrophobicContact CD1-CD1 4Å; A35-L39 WeakPolarHBondContact O-CG 3.43Å; A35-L39 PolarHBondContact O-N 2.98Å; A35-L39 VanDerWaalsContact O-N 3.13Å; I36-L39 PolarHBondContact O-N 3.12Å; I36-L39 VanDerWaalsContact O-N 3.16Å; L39-T41 VanDerWaalsContact C-N 3.32Å; L39-T41 PolarHBondContact O-N 2.93Å; L39-F43 HydrophobicContact CD2-CD2 4.35Å; L39-F43 HydrophobicContact CD2-CE2 4.05Å; L39-F43 WeakPolarHBondContact O-CB 3.31Å; L39-F43 WeakPolarHBondContact O-CD2 3.33Å; L39-F43 PolarHBondContact O-N 3.5Å
40E95Very high92.5Very high34 Ų3474.5 Ų74.516%0.15941%0.408CS..Hα-helixtrans-58.3-45.2176.2-73.3-176.5143.200111.6I12 R16 I36 Q37 K44 I45I12-E40 HydrophobicContact CD1-CG 3.78Å; I12-E40 HydrophobicContact CG1-CG 4.5Å; I12-E40 HydrophobicContact CG2-CG 4.47Å; R16-E40 IonicContact CZ-OE1 2.6Å; R16-E40 IonicContact NH2-OE1 3.89Å; R16-E40 PolarHBondContact NH2-OE1 2.83Å; R16-E40 IonicContact NH2-OE2 3.44Å; I36-E40 HydrophobicContact CG2-CG 4.39Å; I36-E40 WeakPolarHBondContact O-CG 3.4Å; I36-E40 PolarHBondContact O-N 3Å; Q37-E40 PolarHBondContact O-N 3.05Å; E40-K44 VanDerWaalsContact O-CA 3.27Å; E40-K44 WeakPolarHBondContact O-CA 3.45Å; E40-K44 PolarHBondContact O-N 2.86Å; E40-I45 WeakPolarHBondContact CA-O 3.24Å; E40-I45 VanDerWaalsContact CB-O 3.25Å; E40-I45 WeakPolarHBondContact CB-O 3.18Å; E40-I45 WeakPolarHBondContact CG-O 3.17Å; E40-I45 PolarHBondContact O-N 2.92Å; E40-I45 VanDerWaalsContact O-N 3.07Å
41T95.5Very high92.3Very high109 Ų10974.7 Ų74.767%0.66941%0.409SS*.Hα-helixtrans-66.9-48.9-178.9-58.30000112Q37 C38 L39Q37-T41 WeakPolarHBondContact O-CB 3.5Å; Q37-T41 PolarHBondContact O-N 3.16Å; Q37-T41 PolarHBondContact O-OG1 2.99Å; C38-T41 PolarHBondContact O-N 3.45Å; L39-T41 VanDerWaalsContact C-N 3.32Å; L39-T41 PolarHBondContact O-N 2.93Å
42V95.8Very high91.9Very high108 Ų10871.1 Ų71.166%0.65538%0.383SS*.Hα-helixtrans-66.3-41.7-176170.10000111.3C38C38-V42 WeakPolarHBondContact O-CB 3.32Å; C38-V42 VanDerWaalsContact O-CG2 3.25Å; C38-V42 WeakPolarHBondContact O-CG2 3.38Å; C38-V42 PolarHBondContact O-N 3.06Å
43F94Very high91.5Very high68 Ų6872.1 Ų72.130%0.29840%0.395SS..Hα-helixtrans-95.6-3.6-174.2-67.8-85.5000114I4 K5 V8 L39 I45I4-F43 HydrophobicContact CG2-CD1 4.21Å; I4-F43 HydrophobicContact CG2-CE1 3.85Å; K5-F43 VanDerWaalsContact CE-O 3.23Å; K5-F43 WeakPolarHBondContact CE-O 3.31Å; K5-F43 PolarHBondContact NZ-O 3.39Å; V8-F43 HydrophobicContact CB-CD2 4.41Å; V8-F43 HydrophobicContact CB-CG 4.26Å; V8-F43 HydrophobicContact CG1-CB 4.05Å; V8-F43 HydrophobicContact CG1-CD2 3.67Å; V8-F43 HydrophobicContact CG1-CE2 4.27Å; V8-F43 HydrophobicContact CG1-CG 3.85Å; V8-F43 HydrophobicContact CG2-CD1 3.85Å; V8-F43 HydrophobicContact CG2-CD2 3.98Å; V8-F43 HydrophobicContact CG2-CE1 3.85Å; V8-F43 HydrophobicContact CG2-CE2 3.98Å; V8-F43 HydrophobicContact CG2-CG 3.91Å; V8-F43 HydrophobicContact CG2-CZ 3.91Å; L39-F43 HydrophobicContact CD2-CD2 4.35Å; L39-F43 HydrophobicContact CD2-CE2 4.05Å; L39-F43 WeakPolarHBondContact O-CB 3.31Å; L39-F43 WeakPolarHBondContact O-CD2 3.33Å; L39-F43 PolarHBondContact O-N 3.5Å; F43-I45 HydrophobicContact CB-CD1 3.67Å; F43-I45 HydrophobicContact CB-CG1 3.96Å
44K93.5Very high91.1Very high168 Ų16869.1 Ų69.173%0.7338%0.384SS*.THydrogen-bonded Turntrans52.461.8-175.4-54.5-178.1-179.5-176.30109.9K5 E40K5-K44 PolarHBondContact NZ-O 3.33Å; E40-K44 VanDerWaalsContact O-CA 3.27Å; E40-K44 WeakPolarHBondContact O-CA 3.45Å; E40-K44 PolarHBondContact O-N 2.86Å
45I93.1Very high90.3Very high3 Ų372 Ų722%0.01541%0.407CS..  trans-124.8134.4-179-68174.6000107.4K5 V8 Y9 I12 E40 F43 D49 L52K5-I45 HydrophobicContact CB-CD1 4.2Å; K5-I45 HydrophobicContact CG-CD1 4.34Å; V8-I45 HydrophobicContact CB-CD1 3.74Å; V8-I45 HydrophobicContact CG1-CD1 3.68Å; Y9-I45 HydrophobicContact CD2-CG2 3.59Å; Y9-I45 HydrophobicContact CE2-CG2 4.39Å; I12-I45 HydrophobicContact CD1-CB 4.28Å; I12-I45 HydrophobicContact CD1-CG2 3.97Å; E40-I45 WeakPolarHBondContact CA-O 3.24Å; E40-I45 VanDerWaalsContact CB-O 3.25Å; E40-I45 WeakPolarHBondContact CB-O 3.18Å; E40-I45 WeakPolarHBondContact CG-O 3.17Å; E40-I45 PolarHBondContact O-N 2.92Å; E40-I45 VanDerWaalsContact O-N 3.07Å; F43-I45 HydrophobicContact CB-CD1 3.67Å; F43-I45 HydrophobicContact CB-CG1 3.96Å; I45-D49 WeakPolarHBondContact CA-OD2 3.45Å; I45-L52 HydrophobicContact CD1-CD1 4.41Å; I45-L52 HydrophobicContact CG1-CD1 4.17Å; I45-L52 HydrophobicContact CG2-CD1 4.33Å
46S89.5Confident89.6Confident55 Ų5573.9 Ų73.939%0.38541%0.409SS..  trans-121.9159.7179.2-57.10000111.2E48 D49S46-E48 WeakPolarHBondContact CB-OE2 3.32Å; S46-E48 PolarHBondContact O-N 3.25Å; S46-E48 VanDerWaalsContact O-N 3.08Å; S46-D49 PolarHBondContact N-OD2 3.34Å; S46-D49 WeakPolarHBondContact O-CB 3.22Å; S46-D49 PolarHBondContact O-N 2.9Å; S46-D49 VanDerWaalsContact O-N 3.08Å
47P82.1Confident89Confident53 Ų5375.6 Ų75.634%0.34442%0.42SS..THydrogen-bonded Turntrans-49.8-34.1174.2-9.94000113.9Y9 D49Y9-P47 PolarHBondContact OH-O 3.04Å; P47-D49 PolarHBondContact O-N 2.81Å
48E86.2Confident88.5Confident139 Ų13972.3 Ų72.365%0.6541%0.406SS*.THydrogen-bonded Turntrans-76.2-9.7-174.3-57.274.4-158.400113.2S46 T50S46-E48 WeakPolarHBondContact CB-OE2 3.32Å; S46-E48 PolarHBondContact O-N 3.25Å; S46-E48 VanDerWaalsContact O-N 3.08Å; E48-T50 PolarHBondContact O-N 3.41Å
49D87.9Confident87.8Confident39 Ų3972.3 Ų72.321%0.20941%0.405CS..  trans-7550.1179.3-70.6-43.6000112.6Y9 I45 S46 P47 H51 L52Y9-D49 HydrophobicContact CD2-CB 4.33Å; Y9-D49 HydrophobicContact CE2-CB 4.05Å; Y9-D49 WeakPolarHBondContact CE2-O 3.48Å; I45-D49 WeakPolarHBondContact CA-OD2 3.45Å; S46-D49 PolarHBondContact N-OD2 3.34Å; S46-D49 WeakPolarHBondContact O-CB 3.22Å; S46-D49 PolarHBondContact O-N 2.9Å; S46-D49 VanDerWaalsContact O-N 3.08Å; P47-D49 PolarHBondContact O-N 2.81Å; D49-H51 PolarHBondContact O-N 3.4Å; D49-H51 IonicContact OD1-CE1 3.41Å; D49-H51 PolarHBondContact OD1-CE1 3.21Å; D49-H51 IonicContact OD1-ND1 3.44Å; D49-L52 HydrophobicContact CB-CD1 3.75Å; D49-L52 HydrophobicContact CB-CG 4.12Å; D49-L52 WeakPolarHBondContact O-CB 3.41Å; D49-L52 PolarHBondContact O-N 2.93Å
50T85.4Confident87Confident101 Ų10174 Ų7462%0.6241%0.411SS*.G310 helixtrans-59.6-20.3-178.758.70000113.4E48 L52 A53E48-T50 PolarHBondContact O-N 3.41Å; T50-L52 PolarHBondContact O-N 2.91Å; T50-A53 WeakPolarHBondContact O-CB 3.33Å; T50-A53 PolarHBondContact O-N 3.21Å; T50-A53 VanDerWaalsContact O-N 3.08Å
51H86.5Confident86.3Confident130 Ų13076 Ų7660%0.60242%0.421SS*.G310 helixtrans-64.7-20.2172.674.5-84.1000113.6D49 A53D49-H51 PolarHBondContact O-N 3.4Å; D49-H51 IonicContact OD1-CE1 3.41Å; D49-H51 PolarHBondContact OD1-CE1 3.21Å; D49-H51 IonicContact OD1-ND1 3.44Å; H51-A53 VanDerWaalsContact C-N 3.32Å
52L86.6Confident85.4Confident4 Ų477.1 Ų77.12%0.02142%0.417CS..G310 helixtrans-85.8-5.3174.9-61177.1000112.6K5 H6 Y9 I45 D49 T50 V54K5-L52 HydrophobicContact CB-CD1 4.05Å; K5-L52 HydrophobicContact CB-CD2 3.91Å; H6-L52 PolarHBondContact CD2-O 3.46Å; Y9-L52 HydrophobicContact CD1-CB 3.97Å; Y9-L52 HydrophobicContact CD2-CB 3.93Å; Y9-L52 HydrophobicContact CD2-CD1 4.13Å; Y9-L52 HydrophobicContact CG-CB 3.6Å; Y9-L52 HydrophobicContact CG-CD1 4.38Å; I45-L52 HydrophobicContact CD1-CD1 4.41Å; I45-L52 HydrophobicContact CG1-CD1 4.17Å; I45-L52 HydrophobicContact CG2-CD1 4.33Å; D49-L52 HydrophobicContact CB-CD1 3.75Å; D49-L52 HydrophobicContact CB-CG 4.12Å; D49-L52 WeakPolarHBondContact O-CB 3.41Å; D49-L52 PolarHBondContact O-N 2.93Å; T50-L52 PolarHBondContact O-N 2.91Å; L52-V54 PolarHBondContact O-N 3.06Å
53A84.7Confident84.4Confident44 Ų4475.6 Ų75.636%0.36441%0.408SS..  trans-63.7133.1-179.700000111Y9 T50 H51Y9-A53 HydrophobicContact CE1-CB 3.91Å; T50-A53 WeakPolarHBondContact O-CB 3.33Å; T50-A53 PolarHBondContact O-N 3.21Å; T50-A53 VanDerWaalsContact O-N 3.08Å; H51-A53 VanDerWaalsContact C-N 3.32Å
54V82.6Confident83.3Confident41 Ų4174.7 Ų74.725%0.24841%0.407CS..  trans-89.5151.6175.1-69.50000110.6H6 A10 L52 Q56 M61H6-V54 HydrophobicContact CB-CG1 4.42Å; A10-V54 HydrophobicContact CB-CG2 3.86Å; L52-V54 PolarHBondContact O-N 3.06Å; V54-Q56 VanDerWaalsContact CG2-O 3.28Å; V54-Q56 WeakPolarHBondContact CG2-O 3.49Å; V54-Q56 PolarHBondContact O-N 2.88Å; V54-M61 HydrophobicContact CB-SD 4.14Å; V54-M61 HydrophobicContact CG2-SD 3.91Å
55S80.3Confident82Confident134 Ų13469.9 Ų69.994%0.93739%0.394SS*.SBendtrans-67.7-17.5-173.1-52.40000114.9
56Q81.1Confident80.1Confident79 Ų7975.5 Ų75.537%0.36942%0.418SS..SBendtrans-132.7149.4179.1-68.8179-54.700109.9V54 E60 M61 N64V54-Q56 VanDerWaalsContact CG2-O 3.28Å; V54-Q56 WeakPolarHBondContact CG2-O 3.49Å; V54-Q56 PolarHBondContact O-N 2.88Å; Q56-E60 PolarHBondContact NE2-OE1 3.03Å; Q56-M61 HydrophobicContact CB-CG 3.97Å; Q56-N64 PolarHBondContact NE2-ND2 2.97Å
57P81.4Confident78.4Confident47 Ų4777.5 Ų77.531%0.30543%0.431SS..  trans-57.3149.9173.2-22.633.5000112.2T59 E60 M61P57-T59 PolarHBondContact O-N 2.84Å; P57-E60 HydrophobicContact CB-CB 4.46Å; P57-E60 WeakPolarHBondContact CD-OE2 3.37Å; P57-E60 PolarHBondContact O-N 3.44Å; P57-M61 WeakPolarHBondContact O-CG 3.42Å; P57-M61 PolarHBondContact O-N 2.94Å
58L85.6Confident77Confident46 Ų4683.4 Ų83.424%0.24145%0.452CS..Hα-helixtrans-58.3-36.5-179.3-176.361.9000112.2A10 V11 F14 M61 F62A10-L58 HydrophobicContact CB-CD1 4.44Å; V11-L58 HydrophobicContact CB-CD2 4.44Å; V11-L58 HydrophobicContact CG2-CD2 3.8Å; F14-L58 HydrophobicContact CB-CB 4.36Å; F14-L58 HydrophobicContact CB-CD2 4.15Å; F14-L58 HydrophobicContact CG-CD2 4.46Å; L58-M61 PolarHBondContact O-N 2.89Å; L58-F62 VanDerWaalsContact O-CB 3.26Å; L58-F62 WeakPolarHBondContact O-CB 3.41Å; L58-F62 PolarHBondContact O-N 3.35Å
59T80.6Confident75Confident71 Ų7182.2 Ų82.244%0.43645%0.45SS..Hα-helixtrans-61.9-44.7175.248.90000111.9F14 P57 F62 T63F14-T59 HydrophobicContact CD2-CG2 3.84Å; F14-T59 HydrophobicContact CE2-CG2 3.59Å; P57-T59 PolarHBondContact O-N 2.84Å; T59-F62 WeakPolarHBondContact O-CB 3.19Å; T59-F62 PolarHBondContact O-N 2.89Å; T59-T63 PolarHBondContact O-N 3.13Å; T59-T63 PolarHBondContact O-OG1 3.4Å
60E79.6Confident72.9Confident82 Ų8288 Ų8838%0.38348%0.481SS..Hα-helixtrans-70.2-38.6177.5-160.4-168.7148.800111.6Q56 P57 F62 T63 N64Q56-E60 PolarHBondContact NE2-OE1 3.03Å; P57-E60 HydrophobicContact CB-CB 4.46Å; P57-E60 WeakPolarHBondContact CD-OE2 3.37Å; P57-E60 PolarHBondContact O-N 3.44Å; E60-F62 VanDerWaalsContact C-N 3.29Å; E60-F62 PolarHBondContact O-N 3.33Å; E60-T63 PolarHBondContact O-N 2.93Å; E60-N64 WeakPolarHBondContact O-CB 3.02Å; E60-N64 PolarHBondContact O-N 3.12Å; E60-N64 PolarHBondContact O-ND2 3.47Å
61M80.9Confident70.9Confident74 Ų7488.7 Ų88.737%0.36549%0.485SS..Hα-helixtrans-60.9-41.6172.5-68.9-179.567.800111.3V54 Q56 P57 L58 S65V54-M61 HydrophobicContact CB-SD 4.14Å; V54-M61 HydrophobicContact CG2-SD 3.91Å; Q56-M61 HydrophobicContact CB-CG 3.97Å; P57-M61 WeakPolarHBondContact O-CG 3.42Å; P57-M61 PolarHBondContact O-N 2.94Å; L58-M61 PolarHBondContact O-N 2.89Å; M61-S65 WeakPolarHBondContact O-CB 3.2Å; M61-S65 PolarHBondContact O-N 2.61Å; M61-S65 VanDerWaalsContact O-N 3.08Å; M61-S65 PolarHBondContact O-OG 3.05Å
62F76.9Confident68.9Low133 Ų13387.2 Ų87.258%0.58348%0.48SS*.Hα-helixtrans-62.4-57.5175.2-171.4-108.4000109.6L58 T59 E60 N64 S65 F66L58-F62 VanDerWaalsContact O-CB 3.26Å; L58-F62 WeakPolarHBondContact O-CB 3.41Å; L58-F62 PolarHBondContact O-N 3.35Å; T59-F62 WeakPolarHBondContact O-CB 3.19Å; T59-F62 PolarHBondContact O-N 2.89Å; E60-F62 VanDerWaalsContact C-N 3.29Å; E60-F62 PolarHBondContact O-N 3.33Å; F62-N64 VanDerWaalsContact C-N 3.34Å; F62-N64 PolarHBondContact O-N 3.01Å; F62-S65 WeakPolarHBondContact O-CA 3.47Å; F62-S65 VanDerWaalsContact O-CB 3.26Å; F62-S65 WeakPolarHBondContact O-CB 3.43Å; F62-S65 PolarHBondContact O-N 3.1Å; F62-F66 AromaticContact CD1-CD2 3.97Å; F62-F66 HydrophobicContact CD1-CD2 3.97Å; F62-F66 AromaticContact CD1-CE2 3.35Å; F62-F66 HydrophobicContact CD1-CE2 3.35Å; F62-F66 HydrophobicContact CD1-CZ 4.28Å; F62-F66 AromaticContact CD2-CE2 3.79Å; F62-F66 HydrophobicContact CD2-CE2 3.79Å; F62-F66 HydrophobicContact CE1-CD2 4.06Å; F62-F66 AromaticContact CE1-CE2 3.1Å; F62-F66 HydrophobicContact CE1-CE2 3.1Å; F62-F66 AromaticContact CE1-CZ 3.58Å; F62-F66 HydrophobicContact CE1-CZ 3.58Å; F62-F66 AromaticContact CE2-CE2 3.56Å; F62-F66 HydrophobicContact CE2-CE2 3.56Å; F62-F66 AromaticContact CE2-CZ 3.9Å; F62-F66 HydrophobicContact CE2-CZ 3.9Å; F62-F66 HydrophobicContact CG-CD2 4.33Å; F62-F66 AromaticContact CG-CE2 3.7Å; F62-F66 HydrophobicContact CG-CE2 3.7Å; F62-F66 HydrophobicContact CZ-CD2 4.47Å; F62-F66 AromaticContact CZ-CE2 3.21Å; F62-F66 HydrophobicContact CZ-CE2 3.21Å; F62-F66 AromaticContact CZ-CZ 3.36Å; F62-F66 HydrophobicContact CZ-CZ 3.36Å; F62-F66 WeakPolarHBondContact O-CD2 3.5Å; F62-F66 PolarHBondContact O-N 3.01Å; F62-F66 VanDerWaalsContact O-N 3.14Å
63T74.2Confident66.8Low76 Ų7690.9 Ų90.947%0.46650%0.504SS..Hα-helixtrans-56-42.6178-54.80000113T59 E60 S65 F66 C67T59-T63 PolarHBondContact O-N 3.13Å; T59-T63 PolarHBondContact O-OG1 3.4Å; E60-T63 PolarHBondContact O-N 2.93Å; T63-S65 PolarHBondContact O-N 3.46Å; T63-F66 WeakPolarHBondContact O-CA 3.46Å; T63-F66 WeakPolarHBondContact O-CB 3.37Å; T63-F66 PolarHBondContact O-N 2.95Å; T63-C67 PolarHBondContact O-N 3.08Å; T63-C67 PolarHBondContact O-SG 3.08Å
64N70.2Confident64.7Low50 Ų5096.1 Ų96.127%0.26753%0.525SS..Hα-helixtrans-65.2-28176.9-73.7-23.9000112.4Q56 E60 F62 C67 K68Q56-N64 PolarHBondContact NE2-ND2 2.97Å; E60-N64 WeakPolarHBondContact O-CB 3.02Å; E60-N64 PolarHBondContact O-N 3.12Å; E60-N64 PolarHBondContact O-ND2 3.47Å; F62-N64 VanDerWaalsContact C-N 3.34Å; F62-N64 PolarHBondContact O-N 3.01Å; N64-C67 PolarHBondContact O-N 2.71Å; N64-K68 WeakPolarHBondContact O-CB 3.43Å; N64-K68 WeakPolarHBondContact O-CG 3.33Å; N64-K68 PolarHBondContact O-N 2.78Å; N64-K68 VanDerWaalsContact O-N 3.09Å
65S66Low63.1Low66 Ų6696.2 Ų96.246%0.46253%0.528SS..Hα-helixtrans-73.4-29.4172.2-55.50000112.2M61 F62 T63 N69M61-S65 WeakPolarHBondContact O-CB 3.2Å; M61-S65 PolarHBondContact O-N 2.61Å; M61-S65 VanDerWaalsContact O-N 3.08Å; M61-S65 PolarHBondContact O-OG 3.05Å; F62-S65 WeakPolarHBondContact O-CA 3.47Å; F62-S65 VanDerWaalsContact O-CB 3.26Å; F62-S65 WeakPolarHBondContact O-CB 3.43Å; F62-S65 PolarHBondContact O-N 3.1Å; T63-S65 PolarHBondContact O-N 3.46Å; S65-N69 WeakPolarHBondContact O-CB 3.3Å; S65-N69 PolarHBondContact O-N 2.95Å; S65-N69 PolarHBondContact O-ND2 3.23Å
66F54.3Low61.6Low121 Ų12197.2 Ų97.253%0.53152%0.523SS..Hα-helixtrans-72.7-33.5169.2-72.7-86.6000112.9F62 T63F62-F66 AromaticContact CD1-CD2 3.97Å; F62-F66 HydrophobicContact CD1-CD2 3.97Å; F62-F66 AromaticContact CD1-CE2 3.35Å; F62-F66 HydrophobicContact CD1-CE2 3.35Å; F62-F66 HydrophobicContact CD1-CZ 4.28Å; F62-F66 AromaticContact CD2-CE2 3.79Å; F62-F66 HydrophobicContact CD2-CE2 3.79Å; F62-F66 HydrophobicContact CE1-CD2 4.06Å; F62-F66 AromaticContact CE1-CE2 3.1Å; F62-F66 HydrophobicContact CE1-CE2 3.1Å; F62-F66 AromaticContact CE1-CZ 3.58Å; F62-F66 HydrophobicContact CE1-CZ 3.58Å; F62-F66 AromaticContact CE2-CE2 3.56Å; F62-F66 HydrophobicContact CE2-CE2 3.56Å; F62-F66 AromaticContact CE2-CZ 3.9Å; F62-F66 HydrophobicContact CE2-CZ 3.9Å; F62-F66 HydrophobicContact CG-CD2 4.33Å; F62-F66 AromaticContact CG-CE2 3.7Å; F62-F66 HydrophobicContact CG-CE2 3.7Å; F62-F66 HydrophobicContact CZ-CD2 4.47Å; F62-F66 AromaticContact CZ-CE2 3.21Å; F62-F66 HydrophobicContact CZ-CE2 3.21Å; F62-F66 AromaticContact CZ-CZ 3.36Å; F62-F66 HydrophobicContact CZ-CZ 3.36Å; F62-F66 WeakPolarHBondContact O-CD2 3.5Å; F62-F66 PolarHBondContact O-N 3.01Å; F62-F66 VanDerWaalsContact O-N 3.14Å; T63-F66 WeakPolarHBondContact O-CA 3.46Å; T63-F66 WeakPolarHBondContact O-CB 3.37Å; T63-F66 PolarHBondContact O-N 2.95Å
67C52.6Low60.3Low97 Ų9794.8 Ų94.866%0.65552%0.515SS*.Hα-helixtrans-82.4-23.5-178.5-64.90000113.8T63 N64T63-C67 PolarHBondContact O-N 3.08Å; T63-C67 PolarHBondContact O-SG 3.08Å; N64-C67 PolarHBondContact O-N 2.71Å
68K53.5Low59.6Low178 Ų17896.5 Ų96.577%0.77452%0.524SS*.Hα-helixtrans-92.5-19.8178.6-73.9-179.1179.7176.30114.1N64N64-K68 WeakPolarHBondContact O-CB 3.43Å; N64-K68 WeakPolarHBondContact O-CG 3.33Å; N64-K68 PolarHBondContact O-N 2.78Å; N64-K68 VanDerWaalsContact O-N 3.09Å
69N44.7Very low58.7Low114 Ų11499.6 Ų99.661%0.6155%0.547SS*.SBendtrans-102.4106.6170.3-65.7-47.8000107S65 V71S65-N69 WeakPolarHBondContact O-CB 3.3Å; S65-N69 PolarHBondContact O-N 2.95Å; S65-N69 PolarHBondContact O-ND2 3.23Å; N69-V71 PolarHBondContact O-N 3.27Å
70D44.1Very low58.1Low161 Ų161104 Ų10486%0.86156%0.562SS**  trans-47.4108.7167.5-78.8-45000109.4
71V42.7Very low58.1Low115 Ų115102.7 Ų102.770%0.69756%0.558SS**  trans28.1100.1160.6-170.80000116.4N69N69-V71 PolarHBondContact O-N 3.27Å
72L45.5Very low58.2Low98 Ų98101.4 Ų101.451%0.51356%0.555SS.*  trans-131.1108.1138.1-73.7173.8000107.7L74 N117L72-L74 PolarHBondContact O-N 3.31Å; L72-N117 WeakPolarHBondContact CD2-OD1 3.29Å
73P42.5Very low58.8Low81 Ų8196.7 Ų96.753%0.52654%0.544SS..  trans-60.2130.4163.725.4-28.6000107.3S75P73-S75 PolarHBondContact O-N 3.37Å; P73-S75 VanDerWaalsContact O-N 3.09Å
74L39.9Very low59.7Low154 Ų15498.7 Ų98.781%0.80655%0.546SS*.  trans-49.7121.7162.6-127.283.2000106.2L72 N76L72-L74 PolarHBondContact O-N 3.31Å; L74-N76 PolarHBondContact O-N 2.6Å
75S48Very low60.8Low44 Ų4496.3 Ų96.331%0.30853%0.533SS..  trans-59.4112.3173.6-170.20000107.4P73 S77P73-S75 PolarHBondContact O-N 3.37Å; P73-S75 VanDerWaalsContact O-N 3.09Å; S75-S77 PolarHBondContact O-N 2.93Å; S75-S77 VanDerWaalsContact O-N 3.15Å; S75-S77 WeakPolarHBondContact OG-CB 3.36Å; S75-S77 PolarHBondContact OG-N 3.12Å; S75-S77 PolarHBondContact OG-OG 3.33Å
76N50.1Low62.1Low155 Ų15596 Ų9683%0.82953%0.526SS*.  trans-73.610.8171.6-73.2-22.1000111.4L74 V78L74-N76 PolarHBondContact O-N 2.6Å; N76-V78 PolarHBondContact O-N 2.89Å
77S53.2Low64Low27 Ų2796.7 Ų96.719%0.18953%0.531CS..  trans-69126.5179.461.30000110.2S75 L114S75-S77 PolarHBondContact O-N 2.93Å; S75-S77 VanDerWaalsContact O-N 3.15Å; S75-S77 WeakPolarHBondContact OG-CB 3.36Å; S75-S77 PolarHBondContact OG-N 3.12Å; S75-S77 PolarHBondContact OG-OG 3.33Å; S77-L114 VanDerWaalsContact CB-O 3.24Å; S77-L114 WeakPolarHBondContact CB-O 3.4Å
78V65.7Low66.2Low83 Ų8392.9 Ų92.950%0.50350%0.504SS..  trans-67.8148.1175.7-174.90000107.4N76 E80 D81 V82N76-V78 PolarHBondContact O-N 2.89Å; V78-E80 PolarHBondContact O-N 3.35Å; V78-D81 PolarHBondContact N-OD2 3.31Å; V78-D81 WeakPolarHBondContact O-CB 3.45Å; V78-D81 PolarHBondContact O-N 3.15Å; V78-V82 PolarHBondContact O-N 3Å
79P67Low68.3Low112 Ų11285.9 Ų85.973%0.72747%0.474SS*.Hα-helixtrans-52-26.9179.8-30.936.3000115.1G83P79-G83 PolarHBondContact O-N 3.03Å
80E68.9Low70.8Confident162 Ų16284.2 Ų84.276%0.75747%0.465SS*.Hα-helixtrans-66.7-39.2173.4-170.6172-179.800112.7V78 V82 G83 K84V78-E80 PolarHBondContact O-N 3.35Å; E80-V82 VanDerWaalsContact C-N 3.34Å; E80-V82 PolarHBondContact O-N 3.46Å; E80-G83 PolarHBondContact O-N 2.86Å; E80-K84 PolarHBondContact O-N 3.47Å; E80-K84 VanDerWaalsContact O-N 3.11Å
81D79.9Confident73.4Confident55 Ų5581.2 Ų81.229%0.29445%0.445SS..Hα-helixtrans-67.4-35.8177.9-63.4-37.6000111.5V78 K84 A85V78-D81 PolarHBondContact N-OD2 3.31Å; V78-D81 WeakPolarHBondContact O-CB 3.45Å; V78-D81 PolarHBondContact O-N 3.15Å; D81-K84 PolarHBondContact O-N 3.12Å; D81-A85 WeakPolarHBondContact O-CB 3.43Å; D81-A85 PolarHBondContact O-N 3.19Å
82V82.6Confident76Confident48 Ų4875.7 Ų75.729%0.29141%0.412SS..Hα-helixtrans-64.1-45175.5-178.90000110.8V78 E80 K84 A85 D86V78-V82 PolarHBondContact O-N 3Å; E80-V82 VanDerWaalsContact C-N 3.34Å; E80-V82 PolarHBondContact O-N 3.46Å; V82-K84 VanDerWaalsContact C-N 3.3Å; V82-K84 PolarHBondContact O-N 2.82Å; V82-A85 PolarHBondContact O-N 3.06Å; V82-D86 PolarHBondContact O-N 3Å
83G89.1Confident78.6Confident34 Ų3473.2 Ų73.235%0.35140%0.399SS..Hα-helixtrans-62.5-37.4177.100000112.8P79 E80 Q87P79-G83 PolarHBondContact O-N 3.03Å; E80-G83 PolarHBondContact O-N 2.86Å; G83-Q87 WeakPolarHBondContact O-CG 3.4Å; G83-Q87 PolarHBondContact O-N 2.84Å
84K92.9Very high81.2Confident117 Ų11773 Ų7351%0.50939%0.394SS..Hα-helixtrans-71.1-39.5175-173.8179.1177.1-174.70112.4E80 D81 V82 D86 Q87 L88 L114E80-K84 PolarHBondContact O-N 3.47Å; E80-K84 VanDerWaalsContact O-N 3.11Å; D81-K84 PolarHBondContact O-N 3.12Å; V82-K84 VanDerWaalsContact C-N 3.3Å; V82-K84 PolarHBondContact O-N 2.82Å; K84-D86 VanDerWaalsContact C-N 3.27Å; K84-D86 PolarHBondContact O-N 3.08Å; K84-Q87 WeakPolarHBondContact O-CB 3.32Å; K84-Q87 PolarHBondContact O-N 2.9Å; K84-L88 HydrophobicContact CG-CD1 4.46Å; K84-L88 PolarHBondContact O-N 3.09Å; K84-L114 HydrophobicContact CB-CD1 3.98Å; K84-L114 HydrophobicContact CD-CD1 3.8Å; K84-L114 HydrophobicContact CG-CD1 3.71Å
85A92.9Very high84Confident0 Ų067.6 Ų67.60%036%0.364CS..Hα-helixtrans-59.6-40.3174.500000111.5D81 V82 Q87 L88 K89 A111 L114 D115 Y121D81-A85 WeakPolarHBondContact O-CB 3.43Å; D81-A85 PolarHBondContact O-N 3.19Å; V82-A85 PolarHBondContact O-N 3.06Å; A85-Q87 PolarHBondContact O-N 3.22Å; A85-L88 PolarHBondContact O-N 2.91Å; A85-K89 PolarHBondContact O-N 3.23Å; A85-A111 HydrophobicContact CB-CB 4.31Å; A85-A111 WeakPolarHBondContact O-CB 3.42Å; A85-L114 HydrophobicContact CB-CB 3.9Å; A85-L114 HydrophobicContact CB-CD1 4.36Å; A85-D115 HydrophobicContact CB-CB 4.18Å; A85-Y121 HydrophobicContact CB-CE2 3.81Å; A85-Y121 WeakPolarHBondContact CB-OH 3.31Å
86D93.5Very high86.4Confident60 Ų6067.6 Ų67.632%0.32136%0.36SS..Hα-helixtrans-64.6-39.4176.3-94.6-36.5000113V82 K84 K89 D90 Y121V82-D86 PolarHBondContact O-N 3Å; K84-D86 VanDerWaalsContact C-N 3.27Å; K84-D86 PolarHBondContact O-N 3.08Å; D86-K89 WeakPolarHBondContact O-CB 3.47Å; D86-K89 WeakPolarHBondContact O-CE 3.4Å; D86-K89 PolarHBondContact O-N 3.24Å; D86-K89 IonicContact OD1-NZ 3.7Å; D86-K89 PolarHBondContact OD1-NZ 3.48Å; D86-D90 PolarHBondContact O-N 2.94Å; D86-Y121 PolarHBondContact N-OH 2.87Å; D86-Y121 PolarHBondContact OD1-OH 3.14Å
87Q94.9Very high88.7Confident136 Ų13667.8 Ų67.864%0.63635%0.354SS*.Hα-helixtrans-62.5-44.9174.5-70.1172.223.500111.5G83 K84 A85 K89 D90 E91G83-Q87 WeakPolarHBondContact O-CG 3.4Å; G83-Q87 PolarHBondContact O-N 2.84Å; K84-Q87 WeakPolarHBondContact O-CB 3.32Å; K84-Q87 PolarHBondContact O-N 2.9Å; A85-Q87 PolarHBondContact O-N 3.22Å; Q87-K89 VanDerWaalsContact C-N 3.33Å; Q87-K89 PolarHBondContact O-N 3.42Å; Q87-D90 PolarHBondContact O-N 3.49Å; Q87-D90 VanDerWaalsContact O-N 3.11Å; Q87-E91 PolarHBondContact O-N 3.02Å
88L97.9Very high90.8Very high17 Ų1772.7 Ų72.79%0.08937%0.373CS..Hα-helixtrans-62.1-40.3176-75.1162.7000111.7K84 A85 D90 E91 G92 C107 Q110 A111 L114K84-L88 HydrophobicContact CG-CD1 4.46Å; K84-L88 PolarHBondContact O-N 3.09Å; A85-L88 PolarHBondContact O-N 2.91Å; L88-D90 VanDerWaalsContact C-N 3.32Å; L88-D90 PolarHBondContact O-N 3.46Å; L88-E91 PolarHBondContact O-N 3.14Å; L88-G92 PolarHBondContact O-N 3.11Å; L88-C107 WeakPolarHBondContact O-CB 3.46Å; L88-Q110 HydrophobicContact CD1-CB 3.73Å; L88-Q110 HydrophobicContact CD2-CB 4.22Å; L88-A111 HydrophobicContact CB-CB 3.99Å; L88-L114 HydrophobicContact CD1-CD1 3.62Å
89K97.9Very high92.4Very high31 Ų3175.3 Ų75.314%0.13538%0.38CS..Hα-helixtrans-59.6-42.6172171.7-138.162.8-147.70111.2A85 D86 Q87 G92 N93 Y108 V120 Y121A85-K89 PolarHBondContact O-N 3.23Å; D86-K89 WeakPolarHBondContact O-CB 3.47Å; D86-K89 WeakPolarHBondContact O-CE 3.4Å; D86-K89 PolarHBondContact O-N 3.24Å; D86-K89 IonicContact OD1-NZ 3.7Å; D86-K89 PolarHBondContact OD1-NZ 3.48Å; Q87-K89 VanDerWaalsContact C-N 3.33Å; Q87-K89 PolarHBondContact O-N 3.42Å; K89-G92 PolarHBondContact O-N 3.34Å; K89-N93 PolarHBondContact O-N 2.89Å; K89-N93 PolarHBondContact O-ND2 3.44Å; K89-Y108 HydrophobicContact CB-CD1 4.49Å; K89-Y108 HydrophobicContact CB-CE1 4.49Å; K89-Y108 HydrophobicContact CG-CD1 4.48Å; K89-Y108 HydrophobicContact CG-CE1 4.18Å; K89-Y108 WeakPolarHBondContact O-CE1 3.04Å; K89-V120 HydrophobicContact CD-CG1 4.22Å; K89-Y121 HydrophobicContact CB-CD1 3.74Å; K89-Y121 HydrophobicContact CB-CE1 3.62Å; K89-Y121 HydrophobicContact CD-CD1 4.15Å; K89-Y121 HydrophobicContact CD-CE1 3.88Å; K89-Y121 HydrophobicContact CG-CD1 3.82Å; K89-Y121 HydrophobicContact CG-CE1 3.92Å
90D98.1Very high93.9Very high78 Ų7873.3 Ų73.342%0.41736%0.364SS..Hα-helixtrans-69.5-35.9179.4-71.6-28.9000112.9D86 Q87 L88 N93 N94D86-D90 PolarHBondContact O-N 2.94Å; Q87-D90 PolarHBondContact O-N 3.49Å; Q87-D90 VanDerWaalsContact O-N 3.11Å; L88-D90 VanDerWaalsContact C-N 3.32Å; L88-D90 PolarHBondContact O-N 3.46Å; D90-N93 WeakPolarHBondContact O-CB 3.46Å; D90-N93 PolarHBondContact O-N 3.23Å; D90-N94 PolarHBondContact O-N 3.47Å; D90-N94 PolarHBondContact O-ND2 3.23Å
91E97.9Very high95.3Very high98 Ų9867.6 Ų67.646%0.45834%0.335SS..Hα-helixtrans-63.2-46.2170.4-172.3170.1-163.200111.4Q87 L88 N93 N94 H95Q87-E91 PolarHBondContact O-N 3.02Å; L88-E91 PolarHBondContact O-N 3.14Å; E91-N93 VanDerWaalsContact C-N 3.26Å; E91-N93 PolarHBondContact O-N 3.45Å; E91-N94 WeakPolarHBondContact O-CA 3.29Å; E91-N94 WeakPolarHBondContact O-CB 3.36Å; E91-N94 PolarHBondContact O-N 2.98Å; E91-H95 PolarHBondContact O-N 3.32Å
92G98.4Very high96.2Very high0 Ų067.4 Ų67.40%034%0.341CS..Hα-helixtrans-57.9-38.1172.800000112.5L88 K89 N94 H95 M96 A104 Y108L88-G92 PolarHBondContact O-N 3.11Å; K89-G92 PolarHBondContact O-N 3.34Å; G92-N94 VanDerWaalsContact C-N 3.3Å; G92-N94 PolarHBondContact O-N 2.96Å; G92-H95 PolarHBondContact O-N 3.19Å; G92-M96 WeakPolarHBondContact O-CG 3.35Å; G92-M96 PolarHBondContact O-N 3.13Å; G92-A104 WeakPolarHBondContact O-CB 3.44Å; G92-Y108 PolarHBondContact O-OH 2.92Å
93N98.4Very high96.9Very high45 Ų4566.1 Ų66.124%0.24134%0.335CS..Hα-helixtrans-65.6-32.7174.7-71.8-35.2000112.1K89 D90 E91 K97 Y108 N124K89-N93 PolarHBondContact O-N 2.89Å; K89-N93 PolarHBondContact O-ND2 3.44Å; D90-N93 WeakPolarHBondContact O-CB 3.46Å; D90-N93 PolarHBondContact O-N 3.23Å; E91-N93 VanDerWaalsContact C-N 3.26Å; E91-N93 PolarHBondContact O-N 3.45Å; N93-K97 WeakPolarHBondContact O-CG 3.45Å; N93-K97 PolarHBondContact O-N 2.99Å; N93-Y108 WeakPolarHBondContact CA-OH 3.44Å; N93-Y108 PolarHBondContact N-OH 3.09Å; N93-Y108 VanDerWaalsContact N-OH 3.13Å; N93-Y108 PolarHBondContact OD1-OH 3.31Å; N93-N124 PolarHBondContact OD1-ND2 3.31Å
94N98.5Very high97.4Very high78 Ų7864.5 Ų64.542%0.41732%0.319SS..Hα-helixtrans-71.1-44.9175.1-67.1-29.1000111D90 E91 G92 M96 K97 E98D90-N94 PolarHBondContact O-N 3.47Å; D90-N94 PolarHBondContact O-ND2 3.23Å; E91-N94 WeakPolarHBondContact O-CA 3.29Å; E91-N94 WeakPolarHBondContact O-CB 3.36Å; E91-N94 PolarHBondContact O-N 2.98Å; G92-N94 VanDerWaalsContact C-N 3.3Å; G92-N94 PolarHBondContact O-N 2.96Å; N94-M96 VanDerWaalsContact C-N 3.25Å; N94-M96 PolarHBondContact O-N 3.31Å; N94-K97 WeakPolarHBondContact O-CA 3.35Å; N94-K97 WeakPolarHBondContact O-CB 3.41Å; N94-K97 PolarHBondContact O-N 3.39Å; N94-K97 PolarHBondContact OD1-NZ 3.47Å; N94-E98 WeakPolarHBondContact O-CG 3.36Å; N94-E98 PolarHBondContact O-N 3.42Å
95H98.5Very high97.6Very high39 Ų3959.6 Ų59.618%0.18130%0.299CS..Hα-helixtrans-59.9-34.2172.7-76.4-38000113.2E91 G92 K97 E98 E99 N100 A103 A104E91-H95 PolarHBondContact O-N 3.32Å; G92-H95 PolarHBondContact O-N 3.19Å; H95-K97 VanDerWaalsContact C-N 3.32Å; H95-K97 PolarHBondContact O-N 3.26Å; H95-E98 IonicContact CE1-OE2 3.46Å; H95-E98 IonicContact ND1-OE2 3.38Å; H95-E98 PolarHBondContact ND1-OE2 3.38Å; H95-E98 CarbonylContact O-C 3.33Å; H95-E98 PolarHBondContact O-N 3.1Å; H95-E99 PolarHBondContact O-N 2.97Å; H95-E99 VanDerWaalsContact O-N 3.12Å; H95-N100 HydrophobicContact CB-CB 4.32Å; H95-N100 PolarHBondContact O-N 2.78Å; H95-A103 HydrophobicContact CB-CB 4.34Å; H95-A103 VanDerWaalsContact CD2-CB 3.47Å; H95-A103 WeakPolarHBondContact CD2-CB 3.43Å; H95-A104 HydrophobicContact CB-CB 3.89Å
96M98.4Very high97.9Very high44 Ų4464.1 Ų64.122%0.21732%0.323CS..Hα-helixtrans-60.5-38.3171-74.7-65.4-68.900112.9G92 N94 E98 E99 Y101 A104 Y108 A127 A128G92-M96 WeakPolarHBondContact O-CG 3.35Å; G92-M96 PolarHBondContact O-N 3.13Å; N94-M96 VanDerWaalsContact C-N 3.25Å; N94-M96 PolarHBondContact O-N 3.31Å; M96-E98 VanDerWaalsContact C-N 3.34Å; M96-E99 PolarHBondContact O-N 3.41Å; M96-Y101 HydrophobicContact CE-CD1 4.27Å; M96-Y101 HydrophobicContact CE-CE1 4.35Å; M96-Y101 HydrophobicContact SD-CD1 3.73Å; M96-Y101 HydrophobicContact SD-CE1 4.3Å; M96-A104 HydrophobicContact CG-CB 3.83Å; M96-A104 HydrophobicContact SD-CB 3.87Å; M96-Y108 HydrophobicContact CG-CE2 4.2Å; M96-Y108 WeakPolarHBondContact CG-OH 3.32Å; M96-A127 HydrophobicContact CE-CB 4.12Å; M96-A128 HydrophobicContact SD-CB 3.55Å; M96-A128 VanDerWaalsContact SD-CB 3.55Å
97K98.3Very high98.1Very high160 Ų16061.8 Ų61.870%0.69631%0.311SS*.Hα-helixtrans-71.7-31.1177.4-65.4167.8-169.6161.20112.1N93 N94 H95 E99N93-K97 WeakPolarHBondContact O-CG 3.45Å; N93-K97 PolarHBondContact O-N 2.99Å; N94-K97 WeakPolarHBondContact O-CA 3.35Å; N94-K97 WeakPolarHBondContact O-CB 3.41Å; N94-K97 PolarHBondContact O-N 3.39Å; N94-K97 PolarHBondContact OD1-NZ 3.47Å; H95-K97 VanDerWaalsContact C-N 3.32Å; H95-K97 PolarHBondContact O-N 3.26Å; K97-E99 PolarHBondContact O-N 3.02Å
98E98.1Very high98.3Very high129 Ų12955.4 Ų55.460%0.60328%0.281SS*.THydrogen-bonded Turntrans-81.20.1175.2-64.6171.7168.100112.9N94 H95 M96 N100N94-E98 WeakPolarHBondContact O-CG 3.36Å; N94-E98 PolarHBondContact O-N 3.42Å; H95-E98 IonicContact CE1-OE2 3.46Å; H95-E98 IonicContact ND1-OE2 3.38Å; H95-E98 PolarHBondContact ND1-OE2 3.38Å; H95-E98 CarbonylContact O-C 3.33Å; H95-E98 PolarHBondContact O-N 3.1Å; M96-E98 VanDerWaalsContact C-N 3.34Å; E98-N100 PolarHBondContact O-N 3.06Å; E98-N100 VanDerWaalsContact O-N 3.14Å
99E97.9Very high98.3Very high138 Ų13856.4 Ų56.465%0.64529%0.288SS*.THydrogen-bonded Turntrans60.216-173.9-52.4-172.5161.100114.3H95 M96 K97 Y101H95-E99 PolarHBondContact O-N 2.97Å; H95-E99 VanDerWaalsContact O-N 3.12Å; M96-E99 PolarHBondContact O-N 3.41Å; K97-E99 PolarHBondContact O-N 3.02Å; E99-Y101 VanDerWaalsContact C-N 3.28Å; E99-Y101 HydrophobicContact CB-CE1 4.22Å; E99-Y101 HydrophobicContact CB-CE2 4.15Å; E99-Y101 WeakPolarHBondContact CG-OH 3.48Å; E99-Y101 WeakPolarHBondContact O-CD2 3.39Å; E99-Y101 PolarHBondContact O-N 3.28Å
100N98.3Very high98.2Very high71 Ų7159.5 Ų59.538%0.3830%0.303SS..  trans-83.771.4172.7-170.4-5.8000110.5H95 E98 A102 A103 A104H95-N100 HydrophobicContact CB-CB 4.32Å; H95-N100 PolarHBondContact O-N 2.78Å; E98-N100 PolarHBondContact O-N 3.06Å; E98-N100 VanDerWaalsContact O-N 3.14Å; N100-A102 VanDerWaalsContact C-N 3.31Å; N100-A102 PolarHBondContact O-N 3.42Å; N100-A103 HydrophobicContact CB-CB 4.46Å; N100-A103 WeakPolarHBondContact ND2-CB 3.48Å; N100-A103 PolarHBondContact O-N 2.9Å; N100-A103 WeakPolarHBondContact OD1-CB 3.48Å; N100-A103 PolarHBondContact OD1-N 2.91Å; N100-A104 PolarHBondContact O-N 3.03Å; N100-A104 VanDerWaalsContact O-N 3.08Å
101Y98.5Very high98.1Very high42 Ų4255.8 Ų55.817%0.16528%0.283CS..Hα-helixtrans-67.1-29.3-171.5-51.3-54.2000113.9M96 E99 A104 V105 K131M96-Y101 HydrophobicContact CE-CD1 4.27Å; M96-Y101 HydrophobicContact CE-CE1 4.35Å; M96-Y101 HydrophobicContact SD-CD1 3.73Å; M96-Y101 HydrophobicContact SD-CE1 4.3Å; E99-Y101 VanDerWaalsContact C-N 3.28Å; E99-Y101 HydrophobicContact CB-CE1 4.22Å; E99-Y101 HydrophobicContact CB-CE2 4.15Å; E99-Y101 WeakPolarHBondContact CG-OH 3.48Å; E99-Y101 WeakPolarHBondContact O-CD2 3.39Å; E99-Y101 PolarHBondContact O-N 3.28Å; Y101-A104 PolarHBondContact O-N 3.06Å; Y101-V105 WeakPolarHBondContact O-CG2 3.21Å; Y101-V105 PolarHBondContact O-N 3.03Å; Y101-K131 HydrophobicContact CD1-CB 3.77Å; Y101-K131 HydrophobicContact CD1-CG 4.05Å; Y101-K131 HydrophobicContact CD2-CB 3.55Å; Y101-K131 HydrophobicContact CD2-CG 4.46Å; Y101-K131 HydrophobicContact CE1-CB 3.91Å; Y101-K131 HydrophobicContact CE1-CD 4.29Å; Y101-K131 HydrophobicContact CE1-CG 3.81Å; Y101-K131 HydrophobicContact CE2-CB 3.67Å; Y101-K131 HydrophobicContact CE2-CD 4.32Å; Y101-K131 HydrophobicContact CE2-CG 4.22Å; Y101-K131 HydrophobicContact CG-CB 3.59Å; Y101-K131 HydrophobicContact CG-CG 4.37Å
102A98.5Very high98Very high51 Ų5151.8 Ų51.842%0.42127%0.265SS..Hα-helixtrans-65.9-49.2176.600000111.2N100 A104 V105 D106N100-A102 VanDerWaalsContact C-N 3.31Å; N100-A102 PolarHBondContact O-N 3.42Å; A102-A104 VanDerWaalsContact C-N 3.27Å; A102-A104 PolarHBondContact O-N 2.91Å; A102-V105 WeakPolarHBondContact O-CB 3.46Å; A102-V105 PolarHBondContact O-N 3.46Å; A102-V105 VanDerWaalsContact O-N 3.12Å; A102-D106 PolarHBondContact O-N 2.85Å; A102-D106 VanDerWaalsContact O-N 3.11Å
103A98.3Very high97.7Very high20 Ų2059 Ų5917%0.16530%0.298CS..Hα-helixtrans-63.1-35.8175.700000111.8H95 N100 V105 D106 C107H95-A103 HydrophobicContact CB-CB 4.34Å; H95-A103 VanDerWaalsContact CD2-CB 3.47Å; H95-A103 WeakPolarHBondContact CD2-CB 3.43Å; N100-A103 HydrophobicContact CB-CB 4.46Å; N100-A103 WeakPolarHBondContact ND2-CB 3.48Å; N100-A103 PolarHBondContact O-N 2.9Å; N100-A103 WeakPolarHBondContact OD1-CB 3.48Å; N100-A103 PolarHBondContact OD1-N 2.91Å; A103-V105 PolarHBondContact O-N 3.37Å; A103-D106 PolarHBondContact O-N 3.09Å; A103-C107 PolarHBondContact O-N 3.12Å; A103-C107 PolarHBondContact O-SG 3.25Å; A103-C107 VanDerWaalsContact O-SG 3.34Å
104A98.7Very high97.3Very high0 Ų059 Ų590%030%0.298CS..Hα-helixtrans-60.3-43.7173.300000112.4G92 H95 M96 N100 Y101 A102 D106 C107 Y108 A128G92-A104 WeakPolarHBondContact O-CB 3.44Å; H95-A104 HydrophobicContact CB-CB 3.89Å; M96-A104 HydrophobicContact CG-CB 3.83Å; M96-A104 HydrophobicContact SD-CB 3.87Å; N100-A104 PolarHBondContact O-N 3.03Å; N100-A104 VanDerWaalsContact O-N 3.08Å; Y101-A104 PolarHBondContact O-N 3.06Å; A102-A104 VanDerWaalsContact C-N 3.27Å; A102-A104 PolarHBondContact O-N 2.91Å; A104-D106 VanDerWaalsContact C-N 3.32Å; A104-D106 PolarHBondContact O-N 2.91Å; A104-C107 PolarHBondContact O-N 3.1Å; A104-Y108 HydrophobicContact CB-CE2 3.98Å; A104-Y108 WeakPolarHBondContact O-CD2 3.37Å; A104-Y108 WeakPolarHBondContact O-CE2 3.39Å; A104-Y108 PolarHBondContact O-N 3.07Å; A104-A128 HydrophobicContact CB-CB 4.17Å
105V98.8Very high96.8Very high14 Ų1456 Ų569%0.08528%0.282CS..Hα-helixtrans-58.9-43.5175.1166.10000111.4Y101 A102 A103 Y108 T109 R125 A128 Q129 L132Y101-V105 WeakPolarHBondContact O-CG2 3.21Å; Y101-V105 PolarHBondContact O-N 3.03Å; A102-V105 WeakPolarHBondContact O-CB 3.46Å; A102-V105 PolarHBondContact O-N 3.46Å; A102-V105 VanDerWaalsContact O-N 3.12Å; A103-V105 PolarHBondContact O-N 3.37Å; V105-Y108 PolarHBondContact O-N 3.01Å; V105-T109 WeakPolarHBondContact O-CB 3.33Å; V105-T109 PolarHBondContact O-N 3.37Å; V105-T109 PolarHBondContact O-OG1 3.32Å; V105-R125 HydrophobicContact CG1-CG 4.22Å; V105-R125 HydrophobicContact CG2-CG 4.32Å; V105-A128 HydrophobicContact CG2-CB 3.58Å; V105-Q129 VanDerWaalsContact CG1-NE2 3.34Å; V105-Q129 HydrophobicContact CG2-CG 4.04Å; V105-L132 HydrophobicContact CG2-CD1 4.03Å
106D98.3Very high96.4Very high95 Ų9556.9 Ų56.951%0.50829%0.293SS..Hα-helixtrans-63-47.2179.6-67.6-22.3000111.1A102 A103 A104 Y108 T109 Q110A102-D106 PolarHBondContact O-N 2.85Å; A102-D106 VanDerWaalsContact O-N 3.11Å; A103-D106 PolarHBondContact O-N 3.09Å; A104-D106 VanDerWaalsContact C-N 3.32Å; A104-D106 PolarHBondContact O-N 2.91Å; D106-Y108 PolarHBondContact O-N 3.16Å; D106-T109 WeakPolarHBondContact O-CB 3.34Å; D106-T109 PolarHBondContact O-N 3.34Å; D106-T109 VanDerWaalsContact O-N 3.16Å; D106-Q110 WeakPolarHBondContact O-CG 3.11Å; D106-Q110 PolarHBondContact O-N 3.42Å
107C98.3Very high96.1Very high11 Ų1157.4 Ų57.47%0.07430%0.297CS..Hα-helixtrans-58-47.9176.4-69.70000112.4L88 A103 A104 T109 Q110 A111L88-C107 WeakPolarHBondContact O-CB 3.46Å; A103-C107 PolarHBondContact O-N 3.12Å; A103-C107 PolarHBondContact O-SG 3.25Å; A103-C107 VanDerWaalsContact O-SG 3.34Å; A104-C107 PolarHBondContact O-N 3.1Å; C107-T109 VanDerWaalsContact C-N 3.29Å; C107-T109 PolarHBondContact O-N 3.03Å; C107-Q110 PolarHBondContact O-N 2.98Å; C107-A111 PolarHBondContact O-N 3.37Å
108Y98.6Very high95.8Very high2 Ų251.6 Ų51.61%0.00827%0.273CS..Hα-helixtrans-66.9-32177.8-60.3-50.6000112.6K89 G92 N93 M96 A104 V105 D106 A111 I112 N124 R125 A128K89-Y108 HydrophobicContact CB-CD1 4.49Å; K89-Y108 HydrophobicContact CB-CE1 4.49Å; K89-Y108 HydrophobicContact CG-CD1 4.48Å; K89-Y108 HydrophobicContact CG-CE1 4.18Å; K89-Y108 WeakPolarHBondContact O-CE1 3.04Å; G92-Y108 PolarHBondContact O-OH 2.92Å; N93-Y108 WeakPolarHBondContact CA-OH 3.44Å; N93-Y108 PolarHBondContact N-OH 3.09Å; N93-Y108 VanDerWaalsContact N-OH 3.13Å; N93-Y108 PolarHBondContact OD1-OH 3.31Å; M96-Y108 HydrophobicContact CG-CE2 4.2Å; M96-Y108 WeakPolarHBondContact CG-OH 3.32Å; A104-Y108 HydrophobicContact CB-CE2 3.98Å; A104-Y108 WeakPolarHBondContact O-CD2 3.37Å; A104-Y108 WeakPolarHBondContact O-CE2 3.39Å; A104-Y108 PolarHBondContact O-N 3.07Å; V105-Y108 PolarHBondContact O-N 3.01Å; D106-Y108 PolarHBondContact O-N 3.16Å; Y108-A111 PolarHBondContact O-N 3.38Å; Y108-I112 WeakPolarHBondContact O-CD1 3.23Å; Y108-I112 VanDerWaalsContact O-CG1 3.23Å; Y108-I112 WeakPolarHBondContact O-CG1 3.48Å; Y108-I112 PolarHBondContact O-N 3.44Å; Y108-N124 HydrophobicContact CD1-CB 3.94Å; Y108-N124 HydrophobicContact CD2-CB 4.21Å; Y108-N124 HydrophobicContact CE1-CB 3.57Å; Y108-N124 HydrophobicContact CE2-CB 3.88Å; Y108-N124 HydrophobicContact CG-CB 4.26Å; Y108-R125 HydrophobicContact CD2-CB 4.08Å; Y108-R125 HydrophobicContact CG-CB 4.24Å; Y108-A128 HydrophobicContact CE2-CB 4.38Å
109T98.1Very high95.7Very high38 Ų3845.8 Ų45.823%0.23325%0.247CC..Hα-helixtrans-65.3-45.9176-610000110.8V105 D106 C107 A111 I112 E113 R125V105-T109 WeakPolarHBondContact O-CB 3.33Å; V105-T109 PolarHBondContact O-N 3.37Å; V105-T109 PolarHBondContact O-OG1 3.32Å; D106-T109 WeakPolarHBondContact O-CB 3.34Å; D106-T109 PolarHBondContact O-N 3.34Å; D106-T109 VanDerWaalsContact O-N 3.16Å; C107-T109 VanDerWaalsContact C-N 3.29Å; C107-T109 PolarHBondContact O-N 3.03Å; T109-A111 VanDerWaalsContact C-N 3.3Å; T109-A111 PolarHBondContact O-N 3.14Å; T109-I112 WeakPolarHBondContact O-CB 3.28Å; T109-I112 PolarHBondContact O-N 2.91Å; T109-I112 VanDerWaalsContact O-N 3.16Å; T109-E113 WeakPolarHBondContact O-CG 3.39Å; T109-E113 PolarHBondContact O-N 3.38Å; T109-R125 VanDerWaalsContact OG1-CD 3.26Å; T109-R125 WeakPolarHBondContact OG1-CD 3.49Å; T109-R125 PolarHBondContact OG1-NH1 3.11Å
110Q96Very high95.7Very high96 Ų9641.5 Ų41.545%0.44923%0.23SC..Hα-helixtrans-63.1-37.1174.3-66178.421.400111.9L88 D106 C107 I112 E113 L114L88-Q110 HydrophobicContact CD1-CB 3.73Å; L88-Q110 HydrophobicContact CD2-CB 4.22Å; D106-Q110 WeakPolarHBondContact O-CG 3.11Å; D106-Q110 PolarHBondContact O-N 3.42Å; C107-Q110 PolarHBondContact O-N 2.98Å; Q110-I112 VanDerWaalsContact C-N 3.34Å; Q110-I112 PolarHBondContact O-N 2.83Å; Q110-E113 PolarHBondContact O-N 3.03Å; Q110-L114 WeakPolarHBondContact O-CG 3.47Å; Q110-L114 PolarHBondContact O-N 3.48Å
111A96.1Very high95.7Very high0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-62-41173.900000112.1A85 L88 C107 Y108 T109 L114 D115 Y121A85-A111 HydrophobicContact CB-CB 4.31Å; A85-A111 WeakPolarHBondContact O-CB 3.42Å; L88-A111 HydrophobicContact CB-CB 3.99Å; C107-A111 PolarHBondContact O-N 3.37Å; Y108-A111 PolarHBondContact O-N 3.38Å; T109-A111 VanDerWaalsContact C-N 3.3Å; T109-A111 PolarHBondContact O-N 3.14Å; A111-L114 PolarHBondContact O-N 3.19Å; A111-D115 PolarHBondContact O-N 3.32Å; A111-Y121 HydrophobicContact CB-CD1 4.27Å; A111-Y121 HydrophobicContact CB-CD2 3.93Å; A111-Y121 HydrophobicContact CB-CE1 4.48Å; A111-Y121 HydrophobicContact CB-CE2 4.18Å; A111-Y121 HydrophobicContact CB-CG 4.01Å
112I95.3Very high95.7Very high15 Ų1537.1 Ų37.18%0.07721%0.208CC..Hα-helixtrans-66.7-37.2176.7-71.7161.3000112Y108 T109 Q110 L114 D115 S116 Y121 Y122 R125Y108-I112 WeakPolarHBondContact O-CD1 3.23Å; Y108-I112 VanDerWaalsContact O-CG1 3.23Å; Y108-I112 WeakPolarHBondContact O-CG1 3.48Å; Y108-I112 PolarHBondContact O-N 3.44Å; T109-I112 WeakPolarHBondContact O-CB 3.28Å; T109-I112 PolarHBondContact O-N 2.91Å; T109-I112 VanDerWaalsContact O-N 3.16Å; Q110-I112 VanDerWaalsContact C-N 3.34Å; Q110-I112 PolarHBondContact O-N 2.83Å; I112-L114 VanDerWaalsContact C-N 3.27Å; I112-L114 PolarHBondContact O-N 2.87Å; I112-D115 CarbonylContact O-C 3.47Å; I112-D115 VanDerWaalsContact O-C 3.25Å; I112-S116 VanDerWaalsContact O-CA 3.22Å; I112-S116 WeakPolarHBondContact O-CA 3.2Å; I112-S116 WeakPolarHBondContact O-CB 3.43Å; I112-S116 PolarHBondContact O-N 3.48Å; I112-S116 VanDerWaalsContact O-N 3.08Å; I112-Y121 HydrophobicContact CG1-CD2 4.41Å; I112-Y122 HydrophobicContact CD1-CD1 3.67Å; I112-Y122 HydrophobicContact CD1-CD2 4.33Å; I112-Y122 HydrophobicContact CD1-CE1 3.85Å; I112-Y122 HydrophobicContact CD1-CE2 4.47Å; I112-Y122 HydrophobicContact CD1-CG 3.94Å; I112-Y122 HydrophobicContact CG1-CD1 4.32Å; I112-Y122 HydrophobicContact CG1-CD2 4.22Å; I112-Y122 HydrophobicContact CG1-CE1 4.18Å; I112-Y122 HydrophobicContact CG1-CE2 4.08Å; I112-Y122 HydrophobicContact CG1-CG 4.35Å; I112-Y122 HydrophobicContact CG2-CE1 3.75Å; I112-Y122 HydrophobicContact CG2-CE2 4.14Å; I112-Y122 VanDerWaalsContact CG2-CZ 3.47Å; I112-Y122 WeakPolarHBondContact CG2-OH 3.37Å; I112-R125 VanDerWaalsContact CD1-CZ 3.44Å
113E92.7Very high95.7Very high150 Ų15034.7 Ų34.770%0.70119%0.188SC*.Hα-helixtrans-63.9-33.9176.3-73.2172.9177.800112.2T109 Q110T109-E113 WeakPolarHBondContact O-CG 3.39Å; T109-E113 PolarHBondContact O-N 3.38Å; Q110-E113 PolarHBondContact O-N 3.03Å
114L88.6Confident95.7Very high45 Ų4534.5 Ų34.524%0.23618%0.184CC..Hα-helixtrans-81.1-40.1176.7-66.5176.9000112.9S77 K84 A85 L88 Q110 A111 I112S77-L114 VanDerWaalsContact CB-O 3.24Å; S77-L114 WeakPolarHBondContact CB-O 3.4Å; K84-L114 HydrophobicContact CB-CD1 3.98Å; K84-L114 HydrophobicContact CD-CD1 3.8Å; K84-L114 HydrophobicContact CG-CD1 3.71Å; A85-L114 HydrophobicContact CB-CB 3.9Å; A85-L114 HydrophobicContact CB-CD1 4.36Å; L88-L114 HydrophobicContact CD1-CD1 3.62Å; Q110-L114 WeakPolarHBondContact O-CG 3.47Å; Q110-L114 PolarHBondContact O-N 3.48Å; A111-L114 PolarHBondContact O-N 3.19Å; I112-L114 VanDerWaalsContact C-N 3.27Å; I112-L114 PolarHBondContact O-N 2.87Å
115D89Confident95.7Very high16 Ų1636.5 Ų36.59%0.08619%0.192CC..  trans-140.796.8175.7169.523.8000110.6A85 A111 I112 N117 Y121A85-D115 HydrophobicContact CB-CB 4.18Å; A111-D115 PolarHBondContact O-N 3.32Å; I112-D115 CarbonylContact O-C 3.47Å; I112-D115 VanDerWaalsContact O-C 3.25Å; D115-N117 PolarHBondContact O-N 3.22Å; D115-N117 PolarHBondContact OD1-N 3.18Å; D115-Y121 HydrophobicContact CB-CE2 4.01Å; D115-Y121 WeakPolarHBondContact O-CD2 3.36Å
116S89.9Confident95.7Very high57 Ų5735.8 Ų35.840%0.39919%0.188SC..THydrogen-bonded Turntrans-79.2-2.9-176.968.40000114I112 Y122I112-S116 VanDerWaalsContact O-CA 3.22Å; I112-S116 WeakPolarHBondContact O-CA 3.2Å; I112-S116 WeakPolarHBondContact O-CB 3.43Å; I112-S116 PolarHBondContact O-N 3.48Å; I112-S116 VanDerWaalsContact O-N 3.08Å; S116-Y122 VanDerWaalsContact O-CE2 3.26Å; S116-Y122 WeakPolarHBondContact O-CE2 3.45Å; S116-Y122 PolarHBondContact O-OH 3.14Å; S116-Y122 VanDerWaalsContact O-OH 3.07Å
117N91.2Very high95.7Very high56 Ų5632.1 Ų32.130%0.29917%0.17SC..THydrogen-bonded Turntrans-109.523.8-174.5-161.638.1000113.3L72 D115 I148L72-N117 WeakPolarHBondContact CD2-OD1 3.29Å; D115-N117 PolarHBondContact O-N 3.22Å; D115-N117 PolarHBondContact OD1-N 3.18Å; N117-I148 VanDerWaalsContact O-CG2 3.28Å; N117-I148 WeakPolarHBondContact O-CG2 3.41Å
118N92.1Very high95.7Very high38 Ų3831.6 Ų31.620%0.20317%0.167CC..  trans-112.6110.3176.8-169.8-31.5000111.7V120 Y121 Y122N118-V120 PolarHBondContact O-N 2.91Å; N118-V120 VanDerWaalsContact O-N 3.15Å; N118-V120 VanDerWaalsContact OD1-CB 3.25Å; N118-V120 WeakPolarHBondContact OD1-CB 3.39Å; N118-V120 WeakPolarHBondContact OD1-CG2 3.39Å; N118-V120 PolarHBondContact OD1-N 3.37Å; N118-Y121 HydrophobicContact CB-CD2 3.62Å; N118-Y121 HydrophobicContact CB-CE1 4.45Å; N118-Y121 HydrophobicContact CB-CE2 3.51Å; N118-Y121 HydrophobicContact CB-CG 4.12Å; N118-Y121 VanDerWaalsContact ND2-CZ 3.32Å; N118-Y121 PolarHBondContact ND2-OH 3.04Å; N118-Y121 PolarHBondContact O-N 3.33Å; N118-Y122 WeakPolarHBondContact O-CD2 3.47Å
119A96.3Very high95.7Very high7 Ų732.5 Ų32.56%0.05817%0.171CC..Hα-helixtrans-59.1-27.3-179.300000113.4C123 A145 I148 D149 Y152A119-C123 WeakPolarHBondContact O-CB 3.45Å; A119-C123 PolarHBondContact O-N 2.98Å; A119-A145 HydrophobicContact CB-CB 4.23Å; A119-A145 WeakPolarHBondContact CB-O 3.4Å; A119-A145 WeakPolarHBondContact O-CB 3.41Å; A119-I148 HydrophobicContact CB-CB 4.06Å; A119-I148 HydrophobicContact CB-CG2 3.93Å; A119-D149 HydrophobicContact CB-CB 3.89Å; A119-Y152 HydrophobicContact CB-CD1 4.04Å
120V97.6Very high95.8Very high47 Ų4731.9 Ų31.929%0.28517%0.168SC..Hα-helixtrans-66-40.2-178.3-178.50000111.1K89 N118 C123 N124 Y152K89-V120 HydrophobicContact CD-CG1 4.22Å; N118-V120 PolarHBondContact O-N 2.91Å; N118-V120 VanDerWaalsContact O-N 3.15Å; N118-V120 VanDerWaalsContact OD1-CB 3.25Å; N118-V120 WeakPolarHBondContact OD1-CB 3.39Å; N118-V120 WeakPolarHBondContact OD1-CG2 3.39Å; N118-V120 PolarHBondContact OD1-N 3.37Å; V120-C123 PolarHBondContact O-N 3.16Å; V120-N124 VanDerWaalsContact O-CB 3.29Å; V120-N124 WeakPolarHBondContact O-CB 3.42Å; V120-N124 VanDerWaalsContact O-CG 3.3Å; V120-N124 PolarHBondContact O-N 2.88Å; V120-Y152 HydrophobicContact CG2-CE1 4.47Å
121Y98.2Very high95.9Very high0 Ų033.7 Ų33.70%018%0.175CC..Hα-helixtrans-65.5-49.2-177.1-53.5-25.4000111.4A85 D86 K89 A111 I112 D115 N118 C123 N124 R125A85-Y121 HydrophobicContact CB-CE2 3.81Å; A85-Y121 WeakPolarHBondContact CB-OH 3.31Å; D86-Y121 PolarHBondContact N-OH 2.87Å; D86-Y121 PolarHBondContact OD1-OH 3.14Å; K89-Y121 HydrophobicContact CB-CD1 3.74Å; K89-Y121 HydrophobicContact CB-CE1 3.62Å; K89-Y121 HydrophobicContact CD-CD1 4.15Å; K89-Y121 HydrophobicContact CD-CE1 3.88Å; K89-Y121 HydrophobicContact CG-CD1 3.82Å; K89-Y121 HydrophobicContact CG-CE1 3.92Å; A111-Y121 HydrophobicContact CB-CD1 4.27Å; A111-Y121 HydrophobicContact CB-CD2 3.93Å; A111-Y121 HydrophobicContact CB-CE1 4.48Å; A111-Y121 HydrophobicContact CB-CE2 4.18Å; A111-Y121 HydrophobicContact CB-CG 4.01Å; I112-Y121 HydrophobicContact CG1-CD2 4.41Å; D115-Y121 HydrophobicContact CB-CE2 4.01Å; D115-Y121 WeakPolarHBondContact O-CD2 3.36Å; N118-Y121 HydrophobicContact CB-CD2 3.62Å; N118-Y121 HydrophobicContact CB-CE1 4.45Å; N118-Y121 HydrophobicContact CB-CE2 3.51Å; N118-Y121 HydrophobicContact CB-CG 4.12Å; N118-Y121 VanDerWaalsContact ND2-CZ 3.32Å; N118-Y121 PolarHBondContact ND2-OH 3.04Å; N118-Y121 PolarHBondContact O-N 3.33Å; Y121-C123 PolarHBondContact O-N 2.94Å; Y121-N124 PolarHBondContact O-N 3.3Å; Y121-R125 WeakPolarHBondContact O-CB 3.48Å; Y121-R125 PolarHBondContact O-N 2.82Å
122Y98.7Very high96Very high21 Ų2136.9 Ų36.98%0.08219%0.191CC..Hα-helixtrans-60.6-47.2175.4-66-87.3000111.3I112 S116 N118 N124 R125 A126 D141 K144 I148I112-Y122 HydrophobicContact CD1-CD1 3.67Å; I112-Y122 HydrophobicContact CD1-CD2 4.33Å; I112-Y122 HydrophobicContact CD1-CE1 3.85Å; I112-Y122 HydrophobicContact CD1-CE2 4.47Å; I112-Y122 HydrophobicContact CD1-CG 3.94Å; I112-Y122 HydrophobicContact CG1-CD1 4.32Å; I112-Y122 HydrophobicContact CG1-CD2 4.22Å; I112-Y122 HydrophobicContact CG1-CE1 4.18Å; I112-Y122 HydrophobicContact CG1-CE2 4.08Å; I112-Y122 HydrophobicContact CG1-CG 4.35Å; I112-Y122 HydrophobicContact CG2-CE1 3.75Å; I112-Y122 HydrophobicContact CG2-CE2 4.14Å; I112-Y122 VanDerWaalsContact CG2-CZ 3.47Å; I112-Y122 WeakPolarHBondContact CG2-OH 3.37Å; S116-Y122 VanDerWaalsContact O-CE2 3.26Å; S116-Y122 WeakPolarHBondContact O-CE2 3.45Å; S116-Y122 PolarHBondContact O-OH 3.14Å; S116-Y122 VanDerWaalsContact O-OH 3.07Å; N118-Y122 WeakPolarHBondContact O-CD2 3.47Å; Y122-N124 VanDerWaalsContact C-N 3.29Å; Y122-N124 PolarHBondContact O-N 3.21Å; Y122-R125 PolarHBondContact O-N 3.33Å; Y122-A126 PolarHBondContact O-N 3.25Å; Y122-D141 WeakPolarHBondContact CB-O 3.5Å; Y122-D141 WeakPolarHBondContact O-CB 3.33Å; Y122-K144 HydrophobicContact CD1-CB 3.93Å; Y122-K144 HydrophobicContact CD1-CG 3.65Å; Y122-K144 HydrophobicContact CD2-CG 4.17Å; Y122-K144 HydrophobicContact CE1-CB 4.17Å; Y122-K144 HydrophobicContact CE1-CG 3.44Å; Y122-K144 VanDerWaalsContact CE1-CG 3.44Å; Y122-K144 HydrophobicContact CE2-CG 4Å; Y122-K144 HydrophobicContact CG-CB 4.27Å; Y122-K144 HydrophobicContact CG-CG 4Å; Y122-I148 HydrophobicContact CD2-CD1 3.7Å; Y122-I148 HydrophobicContact CE2-CD1 3.51Å
123C98.6Very high96.1Very high0 Ų037.7 Ų37.70%020%0.204CC..Hα-helixtrans-58.7-42.8178.7-1730000111.4A119 V120 Y121 A126 A127 A145 Y152 R158A119-C123 WeakPolarHBondContact O-CB 3.45Å; A119-C123 PolarHBondContact O-N 2.98Å; V120-C123 PolarHBondContact O-N 3.16Å; Y121-C123 PolarHBondContact O-N 2.94Å; C123-A126 WeakPolarHBondContact O-CB 3.42Å; C123-A126 PolarHBondContact O-N 3.45Å; C123-A127 PolarHBondContact O-N 3.12Å; C123-A145 HydrophobicContact CB-CB 4.16Å; C123-Y152 HydrophobicContact CB-CD1 4.12Å; C123-Y152 HydrophobicContact CB-CE1 3.41Å; C123-Y152 VanDerWaalsContact CB-CE1 3.41Å; C123-Y152 WeakPolarHBondContact SG-CE1 3.49Å; C123-R158 WeakPolarHBondContact O-CD 3.31Å; C123-R158 PolarHBondContact O-NH1 2.92Å; C123-R158 PolarHBondContact SG-NH1 3.35Å
124N98.7Very high96.4Very high17 Ų1734.9 Ų34.99%0.09119%0.19CC..Hα-helixtrans-68.2-39.6177.8-77.1-4.8000112.7N93 Y108 V120 Y121 Y122 A126 A127 A128 R158N93-N124 PolarHBondContact OD1-ND2 3.31Å; Y108-N124 HydrophobicContact CD1-CB 3.94Å; Y108-N124 HydrophobicContact CD2-CB 4.21Å; Y108-N124 HydrophobicContact CE1-CB 3.57Å; Y108-N124 HydrophobicContact CE2-CB 3.88Å; Y108-N124 HydrophobicContact CG-CB 4.26Å; V120-N124 VanDerWaalsContact O-CB 3.29Å; V120-N124 WeakPolarHBondContact O-CB 3.42Å; V120-N124 VanDerWaalsContact O-CG 3.3Å; V120-N124 PolarHBondContact O-N 2.88Å; Y121-N124 PolarHBondContact O-N 3.3Å; Y122-N124 VanDerWaalsContact C-N 3.29Å; Y122-N124 PolarHBondContact O-N 3.21Å; N124-A126 VanDerWaalsContact C-N 3.31Å; N124-A126 PolarHBondContact O-N 3.44Å; N124-A127 WeakPolarHBondContact O-CB 3.42Å; N124-A127 PolarHBondContact O-N 3Å; N124-A127 VanDerWaalsContact O-N 3.17Å; N124-A128 PolarHBondContact O-N 3.42Å; N124-R158 VanDerWaalsContact CA-NH1 3.3Å; N124-R158 PolarHBondContact OD1-NH1 3.48Å
125R98.8Very high96.8Very high41 Ų4136.6 Ų36.616%0.15519%0.194CC..Hα-helixtrans-61.5-40.5171.6-164.117068.3-177.6-4.3111.7V105 Y108 T109 I112 Y121 Y122 A127 A128 Q129 D141V105-R125 HydrophobicContact CG1-CG 4.22Å; V105-R125 HydrophobicContact CG2-CG 4.32Å; Y108-R125 HydrophobicContact CD2-CB 4.08Å; Y108-R125 HydrophobicContact CG-CB 4.24Å; T109-R125 VanDerWaalsContact OG1-CD 3.26Å; T109-R125 WeakPolarHBondContact OG1-CD 3.49Å; T109-R125 PolarHBondContact OG1-NH1 3.11Å; I112-R125 VanDerWaalsContact CD1-CZ 3.44Å; Y121-R125 WeakPolarHBondContact O-CB 3.48Å; Y121-R125 PolarHBondContact O-N 2.82Å; Y122-R125 PolarHBondContact O-N 3.33Å; R125-A127 VanDerWaalsContact C-N 3.26Å; R125-A127 PolarHBondContact O-N 3.47Å; R125-A128 PolarHBondContact O-N 2.83Å; R125-A128 VanDerWaalsContact O-N 3.1Å; R125-Q129 HydrophobicContact CG-CG 4.28Å; R125-Q129 WeakPolarHBondContact O-CB 3.43Å; R125-Q129 VanDerWaalsContact O-CG 3.32Å; R125-Q129 WeakPolarHBondContact O-CG 3.26Å; R125-Q129 PolarHBondContact O-N 3.1Å; R125-D141 WeakPolarHBondContact CB-OD2 3.49Å; R125-D141 WeakPolarHBondContact CG-OD2 3.46Å; R125-D141 IonicContact CZ-OD1 3.82Å; R125-D141 IonicContact CZ-OD2 3.04Å; R125-D141 IonicContact NE-OD1 3.65Å; R125-D141 PolarHBondContact NE-OD1 3.39Å; R125-D141 IonicContact NE-OD2 2.7Å; R125-D141 PolarHBondContact NE-OD2 3.42Å; R125-D141 IonicContact NH2-OD1 3.67Å; R125-D141 PolarHBondContact NH2-OD1 2.95Å; R125-D141 IonicContact NH2-OD2 2.89Å
126A98.8Very high97.3Very high0 Ų039.4 Ų39.40%021%0.212CC..Hα-helixtrans-58.6-37.2174.500000112.9Y122 C123 N124 S130 A138 D141 C142Y122-A126 PolarHBondContact O-N 3.25Å; C123-A126 WeakPolarHBondContact O-CB 3.42Å; C123-A126 PolarHBondContact O-N 3.45Å; N124-A126 VanDerWaalsContact C-N 3.31Å; N124-A126 PolarHBondContact O-N 3.44Å; A126-S130 WeakPolarHBondContact O-CB 3.47Å; A126-S130 PolarHBondContact O-N 3.17Å; A126-S130 PolarHBondContact O-OG 3.35Å; A126-A138 HydrophobicContact CB-CB 4.18Å; A126-A138 WeakPolarHBondContact CB-O 3.49Å; A126-A138 WeakPolarHBondContact O-CB 3.39Å; A126-D141 HydrophobicContact CB-CB 3.75Å; A126-C142 WeakPolarHBondContact CB-SG 3.41Å
127A98.7Very high97.7Very high17 Ų1739.5 Ų39.514%0.1421%0.208CC..Hα-helixtrans-65.4-43.8175.200000111.9M96 C123 N124 R125 S130 K131M96-A127 HydrophobicContact CE-CB 4.12Å; C123-A127 PolarHBondContact O-N 3.12Å; N124-A127 WeakPolarHBondContact O-CB 3.42Å; N124-A127 PolarHBondContact O-N 3Å; N124-A127 VanDerWaalsContact O-N 3.17Å; R125-A127 VanDerWaalsContact C-N 3.26Å; R125-A127 PolarHBondContact O-N 3.47Å; A127-S130 PolarHBondContact O-N 3.28Å; A127-K131 WeakPolarHBondContact O-CG 3.23Å; A127-K131 PolarHBondContact O-N 3.2Å; A127-K131 VanDerWaalsContact O-N 3.16Å
128A98.8Very high98Very high0 Ų036.8 Ų36.80%019%0.194CC..Hα-helixtrans-65-45.8176.600000111.6M96 A104 V105 Y108 N124 R125 S130 K131 L132M96-A128 HydrophobicContact SD-CB 3.55Å; M96-A128 VanDerWaalsContact SD-CB 3.55Å; A104-A128 HydrophobicContact CB-CB 4.17Å; V105-A128 HydrophobicContact CG2-CB 3.58Å; Y108-A128 HydrophobicContact CE2-CB 4.38Å; N124-A128 PolarHBondContact O-N 3.42Å; R125-A128 PolarHBondContact O-N 2.83Å; R125-A128 VanDerWaalsContact O-N 3.1Å; A128-S130 VanDerWaalsContact C-N 3.32Å; A128-S130 PolarHBondContact O-N 3.17Å; A128-K131 WeakPolarHBondContact O-CB 3.46Å; A128-K131 PolarHBondContact O-N 2.8Å; A128-L132 PolarHBondContact O-N 3.36Å; A128-L132 VanDerWaalsContact O-N 3.1Å
129Q98.6Very high98.4Very high22 Ų2235.9 Ų35.910%0.10319%0.189CC..Hα-helixtrans-59-41.4175.2-69.3-67.55.200112.1V105 R125 K131 L132 G133 H134 A138V105-Q129 VanDerWaalsContact CG1-NE2 3.34Å; V105-Q129 HydrophobicContact CG2-CG 4.04Å; R125-Q129 HydrophobicContact CG-CG 4.28Å; R125-Q129 WeakPolarHBondContact O-CB 3.43Å; R125-Q129 VanDerWaalsContact O-CG 3.32Å; R125-Q129 WeakPolarHBondContact O-CG 3.26Å; R125-Q129 PolarHBondContact O-N 3.1Å; Q129-K131 VanDerWaalsContact C-N 3.28Å; Q129-K131 PolarHBondContact O-N 3.13Å; Q129-L132 CarbonylContact O-C 3.21Å; Q129-L132 PolarHBondContact O-N 2.91Å; Q129-L132 VanDerWaalsContact O-N 3.12Å; Q129-G133 PolarHBondContact O-N 3.43Å; Q129-G133 VanDerWaalsContact O-N 3.13Å; Q129-H134 HydrophobicContact CB-CB 4.22Å; Q129-H134 PolarHBondContact O-N 3.12Å; Q129-H134 VanDerWaalsContact OE1-CB 3.25Å; Q129-H134 PolarHBondContact OE1-ND1 3.45Å; Q129-A138 HydrophobicContact CB-CB 4.01Å
130S98.4Very high98.5Very high24 Ų2441.2 Ų41.217%0.16821%0.21CC..Hα-helixtrans-62.3-35.8175.4-62.20000112.4A126 A127 A128 L132 G133 Y135 A138A126-S130 WeakPolarHBondContact O-CB 3.47Å; A126-S130 PolarHBondContact O-N 3.17Å; A126-S130 PolarHBondContact O-OG 3.35Å; A127-S130 PolarHBondContact O-N 3.28Å; A128-S130 VanDerWaalsContact C-N 3.32Å; A128-S130 PolarHBondContact O-N 3.17Å; S130-L132 VanDerWaalsContact C-N 3.3Å; S130-G133 PolarHBondContact O-N 3.36Å; S130-Y135 WeakPolarHBondContact O-CE1 3.23Å; S130-A138 VanDerWaalsContact OG-CB 3.28Å; S130-A138 WeakPolarHBondContact OG-CB 3.47Å
131K98.4Very high98.5Very high134 Ų13439.6 Ų39.658%0.58320%0.2SC*.Hα-helixtrans-70.2-27.4175.7-70.2-70.6-176.1174.40112.9Y101 A127 A128 Q129 G133Y101-K131 HydrophobicContact CD1-CB 3.77Å; Y101-K131 HydrophobicContact CD1-CG 4.05Å; Y101-K131 HydrophobicContact CD2-CB 3.55Å; Y101-K131 HydrophobicContact CD2-CG 4.46Å; Y101-K131 HydrophobicContact CE1-CB 3.91Å; Y101-K131 HydrophobicContact CE1-CD 4.29Å; Y101-K131 HydrophobicContact CE1-CG 3.81Å; Y101-K131 HydrophobicContact CE2-CB 3.67Å; Y101-K131 HydrophobicContact CE2-CD 4.32Å; Y101-K131 HydrophobicContact CE2-CG 4.22Å; Y101-K131 HydrophobicContact CG-CB 3.59Å; Y101-K131 HydrophobicContact CG-CG 4.37Å; A127-K131 WeakPolarHBondContact O-CG 3.23Å; A127-K131 PolarHBondContact O-N 3.2Å; A127-K131 VanDerWaalsContact O-N 3.16Å; A128-K131 WeakPolarHBondContact O-CB 3.46Å; A128-K131 PolarHBondContact O-N 2.8Å; Q129-K131 VanDerWaalsContact C-N 3.28Å; Q129-K131 PolarHBondContact O-N 3.13Å; K131-G133 VanDerWaalsContact C-N 3.3Å
132L98.3Very high98.5Very high67 Ų6739.6 Ų39.635%0.35120%0.2SC..THydrogen-bonded Turntrans-81.9-6171.8-65.2171.8000113.4V105 A128 Q129 S130 H134V105-L132 HydrophobicContact CG2-CD1 4.03Å; A128-L132 PolarHBondContact O-N 3.36Å; A128-L132 VanDerWaalsContact O-N 3.1Å; Q129-L132 CarbonylContact O-C 3.21Å; Q129-L132 PolarHBondContact O-N 2.91Å; Q129-L132 VanDerWaalsContact O-N 3.12Å; S130-L132 VanDerWaalsContact C-N 3.3Å; L132-H134 VanDerWaalsContact C-N 3.3Å
133G97.9Very high98.5Very high33 Ų3343.8 Ų43.834%0.3422%0.221SC..THydrogen-bonded Turntrans80.57-175.400000114.3Q129 S130 K131 Y135Q129-G133 PolarHBondContact O-N 3.43Å; Q129-G133 VanDerWaalsContact O-N 3.13Å; S130-G133 PolarHBondContact O-N 3.36Å; K131-G133 VanDerWaalsContact C-N 3.3Å; G133-Y135 WeakPolarHBondContact O-CD2 3.48Å; G133-Y135 PolarHBondContact O-N 3.36Å
134H98.5Very high98.5Very high90 Ų9048.1 Ų48.142%0.41724%0.239SC..  trans-82.861.8177.6-57.1159.8000111.1Q129 L132 T136 D137 A138Q129-H134 HydrophobicContact CB-CB 4.22Å; Q129-H134 PolarHBondContact O-N 3.12Å; Q129-H134 VanDerWaalsContact OE1-CB 3.25Å; Q129-H134 PolarHBondContact OE1-ND1 3.45Å; L132-H134 VanDerWaalsContact C-N 3.3Å; H134-T136 VanDerWaalsContact C-N 3.31Å; H134-T136 PolarHBondContact O-N 3.34Å; H134-D137 PolarHBondContact O-N 2.78Å; H134-A138 PolarHBondContact O-N 2.85Å
135Y98.4Very high98.4Very high82 Ų8247.3 Ų47.332%0.32224%0.235SC..Hα-helixtrans-63.8-33.1-171.5-56.9-58.3000113.8S130 G133 D137 A138 I139 A162 A165 M166S130-Y135 WeakPolarHBondContact O-CE1 3.23Å; G133-Y135 WeakPolarHBondContact O-CD2 3.48Å; G133-Y135 PolarHBondContact O-N 3.36Å; Y135-D137 VanDerWaalsContact C-N 3.34Å; Y135-D137 PolarHBondContact O-N 3.04Å; Y135-A138 PolarHBondContact O-N 2.96Å; Y135-I139 VanDerWaalsContact O-CG1 3.31Å; Y135-I139 WeakPolarHBondContact O-CG1 3.36Å; Y135-I139 PolarHBondContact O-N 3.08Å; Y135-A162 HydrophobicContact CD1-CB 4.28Å; Y135-A165 HydrophobicContact CD1-CB 3.8Å; Y135-A165 HydrophobicContact CD2-CB 3.94Å; Y135-A165 HydrophobicContact CE1-CB 3.55Å; Y135-A165 HydrophobicContact CE2-CB 3.68Å; Y135-A165 HydrophobicContact CG-CB 4Å; Y135-A165 VanDerWaalsContact CZ-CB 3.48Å; Y135-M166 HydrophobicContact CD2-CG 4.22Å; Y135-M166 HydrophobicContact CG-CG 4.22Å
136T98.4Very high98.4Very high74 Ų7446.6 Ų46.645%0.45423%0.234SC..Hα-helixtrans-63.1-40.4176.9470000112.4H134 K140 M166H134-T136 VanDerWaalsContact C-N 3.31Å; H134-T136 PolarHBondContact O-N 3.34Å; T136-K140 WeakPolarHBondContact O-CG 3.42Å; T136-K140 PolarHBondContact O-N 3.39Å; T136-M166 HydrophobicContact CG2-CE 3.63Å; T136-M166 HydrophobicContact CG2-SD 4.03Å
137D98.1Very high98.3Very high59 Ų5950.1 Ų50.132%0.31626%0.263SS..Hα-helixtrans-78.6-32.6179.8-60.7-40.9000111.1H134 Y135 I139 K140 D141H134-D137 PolarHBondContact O-N 2.78Å; Y135-D137 VanDerWaalsContact C-N 3.34Å; Y135-D137 PolarHBondContact O-N 3.04Å; D137-I139 VanDerWaalsContact C-N 3.31Å; D137-I139 PolarHBondContact O-N 3.32Å; D137-K140 PolarHBondContact O-N 3.43Å; D137-K140 IonicContact OD1-NZ 2.82Å; D137-K140 PolarHBondContact OD1-NZ 3.32Å; D137-D141 PolarHBondContact O-N 3.12Å
138A98.8Very high97.9Very high0 Ų050.8 Ų50.80%026%0.264CS..Hα-helixtrans-59.4-40.4169.700000112.6A126 Q129 S130 H134 Y135 D141 C142 A162A126-A138 HydrophobicContact CB-CB 4.18Å; A126-A138 WeakPolarHBondContact CB-O 3.49Å; A126-A138 WeakPolarHBondContact O-CB 3.39Å; Q129-A138 HydrophobicContact CB-CB 4.01Å; S130-A138 VanDerWaalsContact OG-CB 3.28Å; S130-A138 WeakPolarHBondContact OG-CB 3.47Å; H134-A138 PolarHBondContact O-N 2.85Å; Y135-A138 PolarHBondContact O-N 2.96Å; A138-D141 PolarHBondContact O-N 2.7Å; A138-C142 PolarHBondContact O-N 2.96Å; A138-C142 PolarHBondContact O-SG 3.48Å; A138-A162 HydrophobicContact CB-CB 4.2Å
139I98.7Very high97.7Very high19 Ų1954 Ų5410%0.09728%0.281CS..Hα-helixtrans-64-48.7176-69.7162.2000110.6Y135 D137 D141 C142 E143 M159 A162 L163 M166Y135-I139 VanDerWaalsContact O-CG1 3.31Å; Y135-I139 WeakPolarHBondContact O-CG1 3.36Å; Y135-I139 PolarHBondContact O-N 3.08Å; D137-I139 VanDerWaalsContact C-N 3.31Å; D137-I139 PolarHBondContact O-N 3.32Å; I139-D141 VanDerWaalsContact C-N 3.29Å; I139-D141 PolarHBondContact O-N 3.25Å; I139-C142 CarbonylContact O-C 3.37Å; I139-C142 WeakPolarHBondContact O-CA 3.39Å; I139-C142 WeakPolarHBondContact O-CB 3.49Å; I139-C142 PolarHBondContact O-N 3.06Å; I139-E143 HydrophobicContact CG2-CG 4.31Å; I139-E143 WeakPolarHBondContact O-CG 2.9Å; I139-E143 PolarHBondContact O-N 3.29Å; I139-M159 HydrophobicContact CG1-CG 4.5Å; I139-M159 HydrophobicContact CG2-CG 4.37Å; I139-A162 HydrophobicContact CD1-CB 4.28Å; I139-A162 HydrophobicContact CG1-CB 3.76Å; I139-L163 HydrophobicContact CD1-CD2 3.6Å; I139-L163 HydrophobicContact CD1-CG 3.97Å; I139-L163 HydrophobicContact CG1-CD2 4.36Å; I139-L163 HydrophobicContact CG1-CG 4.3Å; I139-M166 HydrophobicContact CD1-SD 3.74Å
140K98.5Very high97.5Very high119 Ų11956.4 Ų56.452%0.51730%0.301SS..Hα-helixtrans-57-42.5177.4-68172.2-167.2157.50112.3T136 D137 C142 E143 K144T136-K140 WeakPolarHBondContact O-CG 3.42Å; T136-K140 PolarHBondContact O-N 3.39Å; D137-K140 PolarHBondContact O-N 3.43Å; D137-K140 IonicContact OD1-NZ 2.82Å; D137-K140 PolarHBondContact OD1-NZ 3.32Å; K140-C142 VanDerWaalsContact C-N 3.35Å; K140-E143 PolarHBondContact O-N 2.96Å; K140-K144 WeakPolarHBondContact O-CB 3.29Å; K140-K144 PolarHBondContact O-N 3.41Å
141D98.6Very high97.4Very high12 Ų1262.8 Ų62.86%0.06433%0.325CS..Hα-helixtrans-65.2-39.1176.2-84.7-16.2000111.6Y122 R125 A126 D137 A138 I139 K144 A145Y122-D141 WeakPolarHBondContact CB-O 3.5Å; Y122-D141 WeakPolarHBondContact O-CB 3.33Å; R125-D141 WeakPolarHBondContact CB-OD2 3.49Å; R125-D141 WeakPolarHBondContact CG-OD2 3.46Å; R125-D141 IonicContact CZ-OD1 3.82Å; R125-D141 IonicContact CZ-OD2 3.04Å; R125-D141 IonicContact NE-OD1 3.65Å; R125-D141 PolarHBondContact NE-OD1 3.39Å; R125-D141 IonicContact NE-OD2 2.7Å; R125-D141 PolarHBondContact NE-OD2 3.42Å; R125-D141 IonicContact NH2-OD1 3.67Å; R125-D141 PolarHBondContact NH2-OD1 2.95Å; R125-D141 IonicContact NH2-OD2 2.89Å; A126-D141 HydrophobicContact CB-CB 3.75Å; D137-D141 PolarHBondContact O-N 3.12Å; A138-D141 PolarHBondContact O-N 2.7Å; I139-D141 VanDerWaalsContact C-N 3.29Å; I139-D141 PolarHBondContact O-N 3.25Å; D141-K144 PolarHBondContact O-N 2.88Å; D141-A145 WeakPolarHBondContact O-CB 3.43Å; D141-A145 PolarHBondContact O-N 3.38Å
142C98.7Very high97.3Very high0 Ų058.3 Ų58.30%031%0.305CS..Hα-helixtrans-65.5-43.6174.5-68.30000112.1A126 A138 I139 K140 K144 A145 I146 M159A126-C142 WeakPolarHBondContact CB-SG 3.41Å; A138-C142 PolarHBondContact O-N 2.96Å; A138-C142 PolarHBondContact O-SG 3.48Å; I139-C142 CarbonylContact O-C 3.37Å; I139-C142 WeakPolarHBondContact O-CA 3.39Å; I139-C142 WeakPolarHBondContact O-CB 3.49Å; I139-C142 PolarHBondContact O-N 3.06Å; K140-C142 VanDerWaalsContact C-N 3.35Å; C142-K144 VanDerWaalsContact C-N 3.3Å; C142-K144 PolarHBondContact O-N 3.23Å; C142-A145 PolarHBondContact O-N 2.89Å; C142-I146 WeakPolarHBondContact O-CB 3.46Å; C142-I146 WeakPolarHBondContact O-CD1 3.42Å; C142-I146 VanDerWaalsContact O-CG1 3.23Å; C142-I146 WeakPolarHBondContact O-CG1 3.42Å; C142-I146 PolarHBondContact O-N 3.48Å; C142-M159 HydrophobicContact CB-CB 3.73Å; C142-M159 HydrophobicContact CB-CG 4.07Å; C142-M159 HydrophobicContact CB-SD 4.2Å
143E98.4Very high97.3Very high110 Ų11056.1 Ų56.151%0.51430%0.295SS..Hα-helixtrans-58-43.6174.4-71.3173.1161.500111I139 K140 I146 A147 M159I139-E143 HydrophobicContact CG2-CG 4.31Å; I139-E143 WeakPolarHBondContact O-CG 2.9Å; I139-E143 PolarHBondContact O-N 3.29Å; K140-E143 PolarHBondContact O-N 2.96Å; E143-I146 PolarHBondContact O-N 2.97Å; E143-A147 WeakPolarHBondContact O-CB 3.34Å; E143-A147 PolarHBondContact O-N 3.16Å; E143-M159 HydrophobicContact CG-SD 4.12Å
144K97.8Very high97.4Very high90 Ų9059.6 Ų59.639%0.39130%0.301SS..Hα-helixtrans-65.9-41.7176.6-172.556.2177.2176.40112.2Y122 K140 D141 C142 I146 A147 I148Y122-K144 HydrophobicContact CD1-CB 3.93Å; Y122-K144 HydrophobicContact CD1-CG 3.65Å; Y122-K144 HydrophobicContact CD2-CG 4.17Å; Y122-K144 HydrophobicContact CE1-CB 4.17Å; Y122-K144 HydrophobicContact CE1-CG 3.44Å; Y122-K144 VanDerWaalsContact CE1-CG 3.44Å; Y122-K144 HydrophobicContact CE2-CG 4Å; Y122-K144 HydrophobicContact CG-CB 4.27Å; Y122-K144 HydrophobicContact CG-CG 4Å; K140-K144 WeakPolarHBondContact O-CB 3.29Å; K140-K144 PolarHBondContact O-N 3.41Å; D141-K144 PolarHBondContact O-N 2.88Å; C142-K144 VanDerWaalsContact C-N 3.3Å; C142-K144 PolarHBondContact O-N 3.23Å; K144-I146 VanDerWaalsContact C-N 3.33Å; K144-I146 PolarHBondContact O-N 3.02Å; K144-A147 PolarHBondContact O-N 3.35Å; K144-I148 HydrophobicContact CG-CD1 4.28Å; K144-I148 WeakPolarHBondContact O-CG1 3.45Å; K144-I148 PolarHBondContact O-N 3.49Å; K144-I148 VanDerWaalsContact O-N 3.1Å
145A97.7Very high97.4Very high0 Ų055.3 Ų55.30%028%0.281CS..Hα-helixtrans-60.9-41.7174.400000112A119 C123 D141 C142 I148 D149 A155A119-A145 HydrophobicContact CB-CB 4.23Å; A119-A145 WeakPolarHBondContact CB-O 3.4Å; A119-A145 WeakPolarHBondContact O-CB 3.41Å; C123-A145 HydrophobicContact CB-CB 4.16Å; D141-A145 WeakPolarHBondContact O-CB 3.43Å; D141-A145 PolarHBondContact O-N 3.38Å; C142-A145 PolarHBondContact O-N 2.89Å; A145-I148 PolarHBondContact O-N 2.96Å; A145-D149 PolarHBondContact O-N 3.37Å; A145-A155 HydrophobicContact CB-CB 3.86Å
146I97.8Very high97.4Very high26 Ų2652.7 Ų52.713%0.13327%0.271CS..Hα-helixtrans-66.8-38.1177-70.2161.2000111.4C142 E143 K144 I148 D149 S150 A155 Y156 M159C142-I146 WeakPolarHBondContact O-CB 3.46Å; C142-I146 WeakPolarHBondContact O-CD1 3.42Å; C142-I146 VanDerWaalsContact O-CG1 3.23Å; C142-I146 WeakPolarHBondContact O-CG1 3.42Å; C142-I146 PolarHBondContact O-N 3.48Å; E143-I146 PolarHBondContact O-N 2.97Å; K144-I146 VanDerWaalsContact C-N 3.33Å; K144-I146 PolarHBondContact O-N 3.02Å; I146-I148 VanDerWaalsContact C-N 3.29Å; I146-I148 PolarHBondContact O-N 2.75Å; I146-D149 CarbonylContact O-C 3.55Å; I146-S150 VanDerWaalsContact O-CA 3.25Å; I146-S150 WeakPolarHBondContact O-CA 3.47Å; I146-S150 PolarHBondContact O-N 2.97Å; I146-A155 HydrophobicContact CD1-CB 4.37Å; I146-A155 HydrophobicContact CG1-CB 3.77Å; I146-Y156 HydrophobicContact CD1-CD1 3.59Å; I146-Y156 HydrophobicContact CD1-CD2 4.38Å; I146-Y156 HydrophobicContact CD1-CE1 3.61Å; I146-Y156 HydrophobicContact CD1-CE2 4.4Å; I146-Y156 HydrophobicContact CD1-CG 4.01Å; I146-Y156 HydrophobicContact CG1-CD1 4.21Å; I146-Y156 HydrophobicContact CG1-CD2 4.2Å; I146-Y156 HydrophobicContact CG1-CE1 3.97Å; I146-Y156 HydrophobicContact CG1-CE2 3.97Å; I146-Y156 HydrophobicContact CG1-CG 4.34Å; I146-Y156 HydrophobicContact CG2-CE1 3.96Å; I146-Y156 HydrophobicContact CG2-CE2 4.34Å; I146-Y156 WeakPolarHBondContact CG2-OH 3.37Å; I146-M159 HydrophobicContact CD1-CE 3.94Å; I146-M159 HydrophobicContact CD1-SD 3.95Å
147A95.9Very high97.4Very high74 Ų7449.2 Ų49.261%0.61225%0.25SC*.Hα-helixtrans-64.9-33.9175.900000112.2E143 K144E143-A147 WeakPolarHBondContact O-CB 3.34Å; E143-A147 PolarHBondContact O-N 3.16Å; K144-A147 PolarHBondContact O-N 3.35Å
148I91.8Very high97.4Very high32 Ų3249.3 Ų49.316%0.16425%0.245CC..Hα-helixtrans-76.7-48.9175.6-65.3164000110.9N117 A119 Y122 K144 A145 I146N117-I148 VanDerWaalsContact O-CG2 3.28Å; N117-I148 WeakPolarHBondContact O-CG2 3.41Å; A119-I148 HydrophobicContact CB-CB 4.06Å; A119-I148 HydrophobicContact CB-CG2 3.93Å; Y122-I148 HydrophobicContact CD2-CD1 3.7Å; Y122-I148 HydrophobicContact CE2-CD1 3.51Å; K144-I148 HydrophobicContact CG-CD1 4.28Å; K144-I148 WeakPolarHBondContact O-CG1 3.45Å; K144-I148 PolarHBondContact O-N 3.49Å; K144-I148 VanDerWaalsContact O-N 3.1Å; A145-I148 PolarHBondContact O-N 2.96Å; I146-I148 VanDerWaalsContact C-N 3.29Å; I146-I148 PolarHBondContact O-N 2.75Å
149D94.3Very high97.4Very high66 Ų6650.6 Ų50.635%0.35325%0.252SS..  trans-133.997.8177.2-178.54.8000111.1A119 A145 I146 K151 Y152A119-D149 HydrophobicContact CB-CB 3.89Å; A145-D149 PolarHBondContact O-N 3.37Å; I146-D149 CarbonylContact O-C 3.55Å; D149-K151 PolarHBondContact O-N 3.41Å; D149-K151 VanDerWaalsContact O-N 3.12Å; D149-K151 WeakPolarHBondContact OD1-CA 3.49Å; D149-K151 WeakPolarHBondContact OD1-CB 3.38Å; D149-K151 PolarHBondContact OD1-N 3.16Å; D149-Y152 WeakPolarHBondContact O-CB 3.37Å; D149-Y152 PolarHBondContact O-N 3.41Å; D149-Y152 VanDerWaalsContact O-N 3.08Å
150S95.3Very high97.4Very high74 Ų7449.7 Ų49.752%0.51725%0.247SC..THydrogen-bonded Turntrans-66.6-11.2179.662.70000114.2I146 Y156I146-S150 VanDerWaalsContact O-CA 3.25Å; I146-S150 WeakPolarHBondContact O-CA 3.47Å; I146-S150 PolarHBondContact O-N 2.97Å; S150-Y156 VanDerWaalsContact O-CE2 3.3Å; S150-Y156 WeakPolarHBondContact O-CE2 3.45Å; S150-Y156 PolarHBondContact O-OH 3.42Å
151K96.3Very high97.4Very high158 Ų15847.8 Ų47.869%0.68724%0.242SC*.THydrogen-bonded Turntrans-98.44.1176.6-63-176.9179.8178.70112.8D149 S153 L182D149-K151 PolarHBondContact O-N 3.41Å; D149-K151 VanDerWaalsContact O-N 3.12Å; D149-K151 WeakPolarHBondContact OD1-CA 3.49Å; D149-K151 WeakPolarHBondContact OD1-CB 3.38Å; D149-K151 PolarHBondContact OD1-N 3.16Å; K151-S153 PolarHBondContact O-N 2.92Å; K151-L182 HydrophobicContact CB-CD2 4.29Å; K151-L182 HydrophobicContact CG-CD2 4.44Å
152Y96.4Very high97.4Very high40 Ų4047.2 Ų47.216%0.15724%0.239CC..  trans-80.686.9-177.5-165.6-148.7000112.5A119 V120 C123 D149 K154 A155A119-Y152 HydrophobicContact CB-CD1 4.04Å; V120-Y152 HydrophobicContact CG2-CE1 4.47Å; C123-Y152 HydrophobicContact CB-CD1 4.12Å; C123-Y152 HydrophobicContact CB-CE1 3.41Å; C123-Y152 VanDerWaalsContact CB-CE1 3.41Å; C123-Y152 WeakPolarHBondContact SG-CE1 3.49Å; D149-Y152 WeakPolarHBondContact O-CB 3.37Å; D149-Y152 PolarHBondContact O-N 3.41Å; D149-Y152 VanDerWaalsContact O-N 3.08Å; Y152-K154 HydrophobicContact CD2-CB 4.44Å; Y152-K154 HydrophobicContact CE1-CB 4.47Å; Y152-K154 HydrophobicContact CE2-CB 4.04Å; Y152-K154 HydrophobicContact CE2-CD 4.1Å; Y152-K154 HydrophobicContact CE2-CG 4.33Å; Y152-K154 PolarHBondContact O-N 2.96Å; Y152-K154 VanDerWaalsContact O-N 3.07Å; Y152-A155 HydrophobicContact CD1-CB 4.02Å; Y152-A155 WeakPolarHBondContact O-CB 3.43Å; Y152-A155 PolarHBondContact O-N 3.49Å
153S98.4Very high97.4Very high20 Ų2047.4 Ų47.414%0.1424%0.24CC..Hα-helixtrans-51.8-36.2-174.968.40000114.2K151 A155 Y156 G157K151-S153 PolarHBondContact O-N 2.92Å; S153-A155 VanDerWaalsContact C-N 3.29Å; S153-A155 PolarHBondContact O-N 2.84Å; S153-Y156 PolarHBondContact O-N 3.03Å; S153-G157 PolarHBondContact O-N 3.21Å
154K98.3Very high97.4Very high106 Ų10643.5 Ų43.546%0.46122%0.224SC..Hα-helixtrans-60.5-34.7178.5-70.9-179-179.4175.90113.3Y152 G157 R158 Y189Y152-K154 HydrophobicContact CD2-CB 4.44Å; Y152-K154 HydrophobicContact CE1-CB 4.47Å; Y152-K154 HydrophobicContact CE2-CB 4.04Å; Y152-K154 HydrophobicContact CE2-CD 4.1Å; Y152-K154 HydrophobicContact CE2-CG 4.33Å; Y152-K154 PolarHBondContact O-N 2.96Å; Y152-K154 VanDerWaalsContact O-N 3.07Å; K154-G157 PolarHBondContact O-N 2.88Å; K154-R158 WeakPolarHBondContact O-CB 3.36Å; K154-R158 WeakPolarHBondContact O-CG 3.44Å; K154-R158 PolarHBondContact O-N 3.29Å; K154-Y189 WeakPolarHBondContact CA-OH 3.24Å; K154-Y189 PolarHBondContact N-OH 3.34Å
155A98.5Very high97.4Very high0 Ų041.3 Ų41.30%022%0.222CC..Hα-helixtrans-67.1-45.5178.200000110.9A145 I146 Y152 S153 G157 R158 M159A145-A155 HydrophobicContact CB-CB 3.86Å; I146-A155 HydrophobicContact CD1-CB 4.37Å; I146-A155 HydrophobicContact CG1-CB 3.77Å; Y152-A155 HydrophobicContact CD1-CB 4.02Å; Y152-A155 WeakPolarHBondContact O-CB 3.43Å; Y152-A155 PolarHBondContact O-N 3.49Å; S153-A155 VanDerWaalsContact C-N 3.29Å; S153-A155 PolarHBondContact O-N 2.84Å; A155-G157 PolarHBondContact O-N 3.47Å; A155-R158 PolarHBondContact O-N 3.36Å; A155-M159 WeakPolarHBondContact O-CB 3.38Å; A155-M159 PolarHBondContact O-N 2.98Å
156Y98.8Very high97.4Very high27 Ų2744.5 Ų44.511%0.10624%0.238CC..Hα-helixtrans-62-42.8174.4-65.6-81.3000112.6I146 S150 S153 R158 M159 G160 K178 L182I146-Y156 HydrophobicContact CD1-CD1 3.59Å; I146-Y156 HydrophobicContact CD1-CD2 4.38Å; I146-Y156 HydrophobicContact CD1-CE1 3.61Å; I146-Y156 HydrophobicContact CD1-CE2 4.4Å; I146-Y156 HydrophobicContact CD1-CG 4.01Å; I146-Y156 HydrophobicContact CG1-CD1 4.21Å; I146-Y156 HydrophobicContact CG1-CD2 4.2Å; I146-Y156 HydrophobicContact CG1-CE1 3.97Å; I146-Y156 HydrophobicContact CG1-CE2 3.97Å; I146-Y156 HydrophobicContact CG1-CG 4.34Å; I146-Y156 HydrophobicContact CG2-CE1 3.96Å; I146-Y156 HydrophobicContact CG2-CE2 4.34Å; I146-Y156 WeakPolarHBondContact CG2-OH 3.37Å; S150-Y156 VanDerWaalsContact O-CE2 3.3Å; S150-Y156 WeakPolarHBondContact O-CE2 3.45Å; S150-Y156 PolarHBondContact O-OH 3.42Å; S153-Y156 PolarHBondContact O-N 3.03Å; Y156-R158 PolarHBondContact O-N 3.32Å; Y156-M159 HydrophobicContact CD1-CE 4.42Å; Y156-M159 PolarHBondContact O-N 3.49Å; Y156-G160 PolarHBondContact O-N 3.3Å; Y156-K178 HydrophobicContact CD1-CB 3.87Å; Y156-K178 HydrophobicContact CD1-CG 3.62Å; Y156-K178 HydrophobicContact CD2-CG 4.29Å; Y156-K178 HydrophobicContact CE1-CB 4.15Å; Y156-K178 HydrophobicContact CE1-CG 3.42Å; Y156-K178 VanDerWaalsContact CE1-CG 3.42Å; Y156-K178 HydrophobicContact CE2-CG 4.13Å; Y156-K178 HydrophobicContact CG-CB 4.27Å; Y156-K178 HydrophobicContact CG-CG 4.04Å; Y156-L182 HydrophobicContact CD2-CD1 3.69Å; Y156-L182 HydrophobicContact CE2-CD1 3.55Å
157G98.6Very high97.3Very high1 Ų148.8 Ų48.81%0.0126%0.261CS..Hα-helixtrans-62.8-40.4177.100000113.1S153 K154 A155 L161 Y176S153-G157 PolarHBondContact O-N 3.21Å; K154-G157 PolarHBondContact O-N 2.88Å; A155-G157 PolarHBondContact O-N 3.47Å; G157-L161 PolarHBondContact O-N 3.01Å; G157-L161 VanDerWaalsContact O-N 3.14Å; G157-Y176 WeakPolarHBondContact O-CE1 3.22Å
158R98.6Very high97.4Very high61 Ų6149.2 Ų49.223%0.2325%0.249CC..Hα-helixtrans-70.8-37.5175.8-73.6177-179173.8-1.6112.3C123 N124 K154 A155 Y156 L161 A162C123-R158 WeakPolarHBondContact O-CD 3.31Å; C123-R158 PolarHBondContact O-NH1 2.92Å; C123-R158 PolarHBondContact SG-NH1 3.35Å; N124-R158 VanDerWaalsContact CA-NH1 3.3Å; N124-R158 PolarHBondContact OD1-NH1 3.48Å; K154-R158 WeakPolarHBondContact O-CB 3.36Å; K154-R158 WeakPolarHBondContact O-CG 3.44Å; K154-R158 PolarHBondContact O-N 3.29Å; A155-R158 PolarHBondContact O-N 3.36Å; Y156-R158 PolarHBondContact O-N 3.32Å; R158-L161 WeakPolarHBondContact O-CB 3.26Å; R158-L161 PolarHBondContact O-N 3.34Å; R158-A162 PolarHBondContact O-N 3.21Å
159M98.8Very high97.6Very high27 Ų2748.3 Ų48.313%0.13324%0.244CC..Hα-helixtrans-60.5-46.4173-164.2165.875.100111I139 C142 E143 I146 A155 Y156 L161 A162 L163 S175I139-M159 HydrophobicContact CG1-CG 4.5Å; I139-M159 HydrophobicContact CG2-CG 4.37Å; C142-M159 HydrophobicContact CB-CB 3.73Å; C142-M159 HydrophobicContact CB-CG 4.07Å; C142-M159 HydrophobicContact CB-SD 4.2Å; E143-M159 HydrophobicContact CG-SD 4.12Å; I146-M159 HydrophobicContact CD1-CE 3.94Å; I146-M159 HydrophobicContact CD1-SD 3.95Å; A155-M159 WeakPolarHBondContact O-CB 3.38Å; A155-M159 PolarHBondContact O-N 2.98Å; Y156-M159 HydrophobicContact CD1-CE 4.42Å; Y156-M159 PolarHBondContact O-N 3.49Å; M159-L161 VanDerWaalsContact C-N 3.28Å; M159-L161 PolarHBondContact O-N 3.27Å; M159-A162 PolarHBondContact O-N 2.96Å; M159-L163 HydrophobicContact CG-CD1 3.91Å; M159-L163 HydrophobicContact CG-CG 4.48Å; M159-L163 WeakPolarHBondContact O-CB 3.35Å; M159-L163 WeakPolarHBondContact O-CD1 3.42Å; M159-L163 VanDerWaalsContact O-CG 3.23Å; M159-L163 WeakPolarHBondContact O-CG 3.25Å; M159-L163 PolarHBondContact O-N 3.04Å; M159-S175 WeakPolarHBondContact CE-OG 3.4Å
160G98.6Very high97.8Very high0 Ų051.9 Ų51.90%026%0.259CS..Hα-helixtrans-57-40.5174.400000112.6Y156 L163 T164 Y176Y156-G160 PolarHBondContact O-N 3.3Å; G160-L163 PolarHBondContact O-N 2.98Å; G160-T164 WeakPolarHBondContact O-CB 3.3Å; G160-T164 PolarHBondContact O-N 2.86Å; G160-T164 PolarHBondContact O-OG1 2.97Å; G160-Y176 PolarHBondContact O-OH 3.48Å
161L98.5Very high97.9Very high80 Ų8052.8 Ų52.842%0.41926%0.255SS..Hα-helixtrans-64.5-46.8177.5-78.6168000112.2G157 R158 M159 T164 A165 Y176G157-L161 PolarHBondContact O-N 3.01Å; G157-L161 VanDerWaalsContact O-N 3.14Å; R158-L161 WeakPolarHBondContact O-CB 3.26Å; R158-L161 PolarHBondContact O-N 3.34Å; M159-L161 VanDerWaalsContact C-N 3.28Å; M159-L161 PolarHBondContact O-N 3.27Å; L161-T164 PolarHBondContact O-N 2.68Å; L161-A165 PolarHBondContact O-N 3.31Å; L161-Y176 WeakPolarHBondContact CA-OH 3.35Å; L161-Y176 WeakPolarHBondContact CD2-OH 3.46Å; L161-Y176 HydrophobicContact CG-CE1 4.36Å; L161-Y176 WeakPolarHBondContact CG-OH 3.45Å; L161-Y176 PolarHBondContact N-OH 2.91Å
162A98.6Very high98Very high0 Ų045.2 Ų45.20%022%0.222CC..Hα-helixtrans-63.8-41177.600000111.8Y135 A138 I139 R158 M159 A165 M166Y135-A162 HydrophobicContact CD1-CB 4.28Å; A138-A162 HydrophobicContact CB-CB 4.2Å; I139-A162 HydrophobicContact CD1-CB 4.28Å; I139-A162 HydrophobicContact CG1-CB 3.76Å; R158-A162 PolarHBondContact O-N 3.21Å; M159-A162 PolarHBondContact O-N 2.96Å; A162-A165 PolarHBondContact O-N 3.45Å; A162-M166 WeakPolarHBondContact O-CG 3.42Å; A162-M166 PolarHBondContact O-N 3.13Å; A162-M166 VanDerWaalsContact O-N 3.11Å
163L98.6Very high98.1Very high4 Ų444.1 Ų44.12%0.02122%0.219CC..Hα-helixtrans-64.6-43.3176.4-71.6165.7000112.3I139 M159 G160 A165 M166 N167 K168 E171 A172 S175I139-L163 HydrophobicContact CD1-CD2 3.6Å; I139-L163 HydrophobicContact CD1-CG 3.97Å; I139-L163 HydrophobicContact CG1-CD2 4.36Å; I139-L163 HydrophobicContact CG1-CG 4.3Å; M159-L163 HydrophobicContact CG-CD1 3.91Å; M159-L163 HydrophobicContact CG-CG 4.48Å; M159-L163 WeakPolarHBondContact O-CB 3.35Å; M159-L163 WeakPolarHBondContact O-CD1 3.42Å; M159-L163 VanDerWaalsContact O-CG 3.23Å; M159-L163 WeakPolarHBondContact O-CG 3.25Å; M159-L163 PolarHBondContact O-N 3.04Å; G160-L163 PolarHBondContact O-N 2.98Å; L163-A165 VanDerWaalsContact C-N 3.3Å; L163-A165 PolarHBondContact O-N 3.01Å; L163-M166 CarbonylContact O-C 3.25Å; L163-M166 PolarHBondContact O-N 3.4Å; L163-M166 VanDerWaalsContact O-N 3.1Å; L163-N167 PolarHBondContact O-N 3.22Å; L163-K168 HydrophobicContact CB-CB 4.27Å; L163-K168 HydrophobicContact CD2-CB 3.94Å; L163-K168 HydrophobicContact CD2-CD 3.6Å; L163-K168 HydrophobicContact CD2-CG 4.46Å; L163-K168 PolarHBondContact O-N 2.98Å; L163-E171 HydrophobicContact CD1-CB 3.81Å; L163-E171 HydrophobicContact CD2-CB 3.98Å; L163-E171 WeakPolarHBondContact CD2-OE2 3.46Å; L163-E171 HydrophobicContact CG-CB 4.4Å; L163-A172 HydrophobicContact CB-CB 3.77Å; L163-S175 WeakPolarHBondContact CD1-OG 3.49Å
164T97.8Very high98.1Very high28 Ų2847.4 Ų47.417%0.17224%0.239CC..Hα-helixtrans-58.7-42.7173.5-64.90000111.1G160 L161 M166 N167 F169 A172G160-T164 WeakPolarHBondContact O-CB 3.3Å; G160-T164 PolarHBondContact O-N 2.86Å; G160-T164 PolarHBondContact O-OG1 2.97Å; L161-T164 PolarHBondContact O-N 2.68Å; T164-M166 PolarHBondContact O-N 3.13Å; T164-N167 PolarHBondContact O-N 2.87Å; T164-F169 HydrophobicContact CG2-CD1 4.39Å; T164-F169 HydrophobicContact CG2-CE1 4.12Å; T164-A172 WeakPolarHBondContact OG1-CB 3.44Å
165A97.4Very high98.1Very high43 Ų4342.7 Ų42.736%0.35522%0.219SC..Hα-helixtrans-65-26.6177.700000113.1Y135 L161 A162 L163 N167Y135-A165 HydrophobicContact CD1-CB 3.8Å; Y135-A165 HydrophobicContact CD2-CB 3.94Å; Y135-A165 HydrophobicContact CE1-CB 3.55Å; Y135-A165 HydrophobicContact CE2-CB 3.68Å; Y135-A165 HydrophobicContact CG-CB 4Å; Y135-A165 VanDerWaalsContact CZ-CB 3.48Å; L161-A165 PolarHBondContact O-N 3.31Å; A162-A165 PolarHBondContact O-N 3.45Å; L163-A165 VanDerWaalsContact C-N 3.3Å; L163-A165 PolarHBondContact O-N 3.01Å; A165-N167 VanDerWaalsContact C-N 3.32Å
166M97.4Very high98.1Very high68 Ų6842.7 Ų42.734%0.33522%0.219SC..THydrogen-bonded Turntrans-88.18172.7-65.3-173.972.500113.8Y135 T136 I139 A162 L163 T164 K168Y135-M166 HydrophobicContact CD2-CG 4.22Å; Y135-M166 HydrophobicContact CG-CG 4.22Å; T136-M166 HydrophobicContact CG2-CE 3.63Å; T136-M166 HydrophobicContact CG2-SD 4.03Å; I139-M166 HydrophobicContact CD1-SD 3.74Å; A162-M166 WeakPolarHBondContact O-CG 3.42Å; A162-M166 PolarHBondContact O-N 3.13Å; A162-M166 VanDerWaalsContact O-N 3.11Å; L163-M166 CarbonylContact O-C 3.25Å; L163-M166 PolarHBondContact O-N 3.4Å; L163-M166 VanDerWaalsContact O-N 3.1Å; T164-M166 PolarHBondContact O-N 3.13Å; M166-K168 HydrophobicContact CB-CD 4.3Å; M166-K168 HydrophobicContact CB-CG 4.23Å; M166-K168 PolarHBondContact O-N 2.97Å
167N96.2Very high98.1Very high115 Ų11545.4 Ų45.462%0.61523%0.233SC*.THydrogen-bonded Turntrans59.419.9-174.4-54.3-64.3000114.9L163 T164 A165 F169L163-N167 PolarHBondContact O-N 3.22Å; T164-N167 PolarHBondContact O-N 2.87Å; A165-N167 VanDerWaalsContact C-N 3.32Å; N167-F169 VanDerWaalsContact C-N 3.25Å; N167-F169 HydrophobicContact CB-CE2 3.83Å; N167-F169 HydrophobicContact CB-CZ 3.77Å; N167-F169 WeakPolarHBondContact O-CD2 3.19Å; N167-F169 PolarHBondContact O-N 3.39Å; N167-F169 VanDerWaalsContact O-N 3.08Å; N167-F169 VanDerWaalsContact OD1-CZ 3.29Å; N167-F169 WeakPolarHBondContact OD1-CZ 3.43Å
168K97.4Very high98.1Very high83 Ų8349.5 Ų49.536%0.36125%0.25SS..  trans-86.764.9175.8-67.4178154.5-143.70110.4L163 M166 E170 E171 A172L163-K168 HydrophobicContact CB-CB 4.27Å; L163-K168 HydrophobicContact CD2-CB 3.94Å; L163-K168 HydrophobicContact CD2-CD 3.6Å; L163-K168 HydrophobicContact CD2-CG 4.46Å; L163-K168 PolarHBondContact O-N 2.98Å; M166-K168 HydrophobicContact CB-CD 4.3Å; M166-K168 HydrophobicContact CB-CG 4.23Å; M166-K168 PolarHBondContact O-N 2.97Å; K168-E170 PolarHBondContact O-N 2.89Å; K168-E171 HydrophobicContact CB-CB 4.45Å; K168-E171 IonicContact NZ-OE1 3.78Å; K168-E171 PolarHBondContact NZ-OE1 3.38Å; K168-E171 IonicContact NZ-OE2 2.82Å; K168-E171 PolarHBondContact NZ-OE2 3.44Å; K168-E171 PolarHBondContact O-N 2.9Å; K168-A172 WeakPolarHBondContact O-CB 3.42Å; K168-A172 PolarHBondContact O-N 3.3Å
169F97.2Very high98.1Very high13 Ų1346.6 Ų46.66%0.05724%0.239CC..Hα-helixtrans-66.9-33.2-167-55.7-59.4000114T164 N167 A172 V173 K199 L200 V203T164-F169 HydrophobicContact CG2-CD1 4.39Å; T164-F169 HydrophobicContact CG2-CE1 4.12Å; N167-F169 VanDerWaalsContact C-N 3.25Å; N167-F169 HydrophobicContact CB-CE2 3.83Å; N167-F169 HydrophobicContact CB-CZ 3.77Å; N167-F169 WeakPolarHBondContact O-CD2 3.19Å; N167-F169 PolarHBondContact O-N 3.39Å; N167-F169 VanDerWaalsContact O-N 3.08Å; N167-F169 VanDerWaalsContact OD1-CZ 3.29Å; N167-F169 WeakPolarHBondContact OD1-CZ 3.43Å; F169-A172 PolarHBondContact O-N 3.13Å; F169-V173 VanDerWaalsContact O-CG2 3.29Å; F169-V173 WeakPolarHBondContact O-CG2 3.44Å; F169-V173 PolarHBondContact O-N 3.23Å; F169-K199 HydrophobicContact CD1-CB 3.53Å; F169-K199 HydrophobicContact CD1-CG 4.31Å; F169-K199 HydrophobicContact CD2-CB 3.88Å; F169-K199 HydrophobicContact CE1-CB 3.47Å; F169-K199 VanDerWaalsContact CE1-CB 3.47Å; F169-K199 HydrophobicContact CE1-CD 4.23Å; F169-K199 HydrophobicContact CE1-CG 3.83Å; F169-K199 HydrophobicContact CE2-CB 3.82Å; F169-K199 HydrophobicContact CE2-CD 4.49Å; F169-K199 HydrophobicContact CG-CB 3.74Å; F169-K199 HydrophobicContact CZ-CB 3.61Å; F169-K199 HydrophobicContact CZ-CD 3.91Å; F169-K199 HydrophobicContact CZ-CG 3.99Å; F169-L200 HydrophobicContact CB-CB 3.81Å; F169-L200 HydrophobicContact CB-CD1 4.18Å; F169-V203 HydrophobicContact CD2-CG2 3.91Å; F169-V203 HydrophobicContact CE2-CG2 3.74Å
170E97.4Very high98.1Very high141 Ų14146.6 Ų46.666%0.65924%0.24SC*.Hα-helixtrans-64.1-52.2177.1-173.1174.3-173.800111.6K168 A172 V173 T174 L200K168-E170 PolarHBondContact O-N 2.89Å; E170-A172 VanDerWaalsContact C-N 3.26Å; E170-A172 PolarHBondContact O-N 2.94Å; E170-V173 PolarHBondContact O-N 3.06Å; E170-T174 PolarHBondContact O-N 3.1Å; E170-T174 PolarHBondContact O-OG1 3.05Å; E170-L200 HydrophobicContact CB-CD1 4.23Å; E170-L200 HydrophobicContact CB-CD2 4.45Å
171E98.1Very high98.1Very high93 Ų9352.1 Ų52.144%0.43527%0.269SS..Hα-helixtrans-59.7-37.8175.5-62.7168-130.300111.5L163 K168 T174 S175L163-E171 HydrophobicContact CD1-CB 3.81Å; L163-E171 HydrophobicContact CD2-CB 3.98Å; L163-E171 WeakPolarHBondContact CD2-OE2 3.46Å; L163-E171 HydrophobicContact CG-CB 4.4Å; K168-E171 HydrophobicContact CB-CB 4.45Å; K168-E171 IonicContact NZ-OE1 3.78Å; K168-E171 PolarHBondContact NZ-OE1 3.38Å; K168-E171 IonicContact NZ-OE2 2.82Å; K168-E171 PolarHBondContact NZ-OE2 3.44Å; K168-E171 PolarHBondContact O-N 2.9Å; E171-T174 PolarHBondContact O-N 3.31Å; E171-S175 PolarHBondContact O-N 3.28Å; E171-S175 PolarHBondContact O-OG 3.34Å
172A98.4Very high98Very high0 Ų051.2 Ų51.20%027%0.265CS..Hα-helixtrans-64.4-44.4177.400000112.1L163 T164 K168 F169 E170 T174 S175 Y176 A196L163-A172 HydrophobicContact CB-CB 3.77Å; T164-A172 WeakPolarHBondContact OG1-CB 3.44Å; K168-A172 WeakPolarHBondContact O-CB 3.42Å; K168-A172 PolarHBondContact O-N 3.3Å; F169-A172 PolarHBondContact O-N 3.13Å; E170-A172 VanDerWaalsContact C-N 3.26Å; E170-A172 PolarHBondContact O-N 2.94Å; A172-T174 PolarHBondContact O-N 3.48Å; A172-S175 WeakPolarHBondContact O-CB 3.17Å; A172-S175 PolarHBondContact O-N 3.23Å; A172-Y176 HydrophobicContact CB-CD2 4.47Å; A172-Y176 HydrophobicContact CB-CE2 4.15Å; A172-Y176 WeakPolarHBondContact O-CD2 3.31Å; A172-Y176 PolarHBondContact O-N 3.11Å; A172-A196 HydrophobicContact CB-CB 4.28Å
173V98.6Very high98Very high16 Ų1653.8 Ų53.810%0.09728%0.278CS..Hα-helixtrans-57.6-48.5176.4164.10000110.7F169 E170 S175 Y176 Q177 L193 A196 E197F169-V173 VanDerWaalsContact O-CG2 3.29Å; F169-V173 WeakPolarHBondContact O-CG2 3.44Å; F169-V173 PolarHBondContact O-N 3.23Å; E170-V173 PolarHBondContact O-N 3.06Å; V173-S175 VanDerWaalsContact C-N 3.29Å; V173-S175 PolarHBondContact O-N 3.08Å; V173-Y176 PolarHBondContact O-N 3.45Å; V173-Q177 PolarHBondContact O-N 3.07Å; V173-L193 HydrophobicContact CB-CD1 4.17Å; V173-L193 HydrophobicContact CG1-CD1 3.85Å; V173-L193 HydrophobicContact CG2-CD1 4.13Å; V173-A196 HydrophobicContact CG2-CB 3.83Å; V173-E197 HydrophobicContact CG1-CG 4.41Å; V173-E197 HydrophobicContact CG2-CG 3.79Å
174T98.5Very high98Very high89 Ų8957.1 Ų57.155%0.54630%0.3SS..Hα-helixtrans-58.2-43176.5-56.30000111.6E170 E171 A172 Q177 K178E170-T174 PolarHBondContact O-N 3.1Å; E170-T174 PolarHBondContact O-OG1 3.05Å; E171-T174 PolarHBondContact O-N 3.31Å; A172-T174 PolarHBondContact O-N 3.48Å; T174-Q177 PolarHBondContact O-N 2.89Å; T174-K178 PolarHBondContact O-N 3.03Å
175S98.5Very high98Very high7 Ų762.8 Ų62.85%0.04933%0.325CS..Hα-helixtrans-64-45.5179.1-58.40000112.1M159 L163 E171 A172 V173 K178 A179M159-S175 WeakPolarHBondContact CE-OG 3.4Å; L163-S175 WeakPolarHBondContact CD1-OG 3.49Å; E171-S175 PolarHBondContact O-N 3.28Å; E171-S175 PolarHBondContact O-OG 3.34Å; A172-S175 WeakPolarHBondContact O-CB 3.17Å; A172-S175 PolarHBondContact O-N 3.23Å; V173-S175 VanDerWaalsContact C-N 3.29Å; V173-S175 PolarHBondContact O-N 3.08Å; S175-K178 PolarHBondContact O-N 3.21Å; S175-A179 PolarHBondContact O-N 3.46Å
176Y98.8Very high98Very high1 Ų162.6 Ų62.60%0.00432%0.318CS..Hα-helixtrans-68.5-37.6178.2-68.4-58.4000113.3G157 G160 L161 A172 V173 K178 A179 L180 N192 L193 A196G157-Y176 WeakPolarHBondContact O-CE1 3.22Å; G160-Y176 PolarHBondContact O-OH 3.48Å; L161-Y176 WeakPolarHBondContact CA-OH 3.35Å; L161-Y176 WeakPolarHBondContact CD2-OH 3.46Å; L161-Y176 HydrophobicContact CG-CE1 4.36Å; L161-Y176 WeakPolarHBondContact CG-OH 3.45Å; L161-Y176 PolarHBondContact N-OH 2.91Å; A172-Y176 HydrophobicContact CB-CD2 4.47Å; A172-Y176 HydrophobicContact CB-CE2 4.15Å; A172-Y176 WeakPolarHBondContact O-CD2 3.31Å; A172-Y176 PolarHBondContact O-N 3.11Å; V173-Y176 PolarHBondContact O-N 3.45Å; Y176-K178 VanDerWaalsContact C-N 3.31Å; Y176-A179 WeakPolarHBondContact O-CB 2.85Å; Y176-A179 PolarHBondContact O-N 2.86Å; Y176-L180 WeakPolarHBondContact O-CG 3.32Å; Y176-L180 PolarHBondContact O-N 3.32Å; Y176-N192 HydrophobicContact CD1-CB 4.15Å; Y176-N192 HydrophobicContact CD2-CB 4.49Å; Y176-N192 HydrophobicContact CE1-CB 3.54Å; Y176-N192 HydrophobicContact CE2-CB 3.95Å; Y176-N192 VanDerWaalsContact CZ-CB 3.41Å; Y176-L193 HydrophobicContact CG-CB 4.36Å; Y176-A196 HydrophobicContact CD2-CB 4.27Å; Y176-A196 HydrophobicContact CE2-CB 4.15Å
177Q98.7Very high98Very high83 Ų8364.7 Ų64.739%0.38833%0.33SS..Hα-helixtrans-60.2-45.3173.3-81.9165.4-5.700110.5V173 T174 A179 L180 D181 L193V173-Q177 PolarHBondContact O-N 3.07Å; T174-Q177 PolarHBondContact O-N 2.89Å; Q177-A179 VanDerWaalsContact C-N 3.29Å; Q177-A179 PolarHBondContact O-N 3.34Å; Q177-L180 PolarHBondContact O-N 3.48Å; Q177-L180 VanDerWaalsContact O-N 3.12Å; Q177-D181 PolarHBondContact O-N 2.9Å; Q177-L193 HydrophobicContact CG-CD1 4.13Å; Q177-L193 HydrophobicContact CG-CD2 3.99Å
178K98.5Very high98.1Very high87 Ų8762.1 Ų62.138%0.37832%0.321SS..Hα-helixtrans-63.2-36.3175.8-168.656.7175179.80112.9Y156 T174 S175 Y176 D181 L182Y156-K178 HydrophobicContact CD1-CB 3.87Å; Y156-K178 HydrophobicContact CD1-CG 3.62Å; Y156-K178 HydrophobicContact CD2-CG 4.29Å; Y156-K178 HydrophobicContact CE1-CB 4.15Å; Y156-K178 HydrophobicContact CE1-CG 3.42Å; Y156-K178 VanDerWaalsContact CE1-CG 3.42Å; Y156-K178 HydrophobicContact CE2-CG 4.13Å; Y156-K178 HydrophobicContact CG-CB 4.27Å; Y156-K178 HydrophobicContact CG-CG 4.04Å; T174-K178 PolarHBondContact O-N 3.03Å; S175-K178 PolarHBondContact O-N 3.21Å; Y176-K178 VanDerWaalsContact C-N 3.31Å; K178-D181 PolarHBondContact O-N 3.34Å; K178-L182 WeakPolarHBondContact O-CG 3.48Å; K178-L182 PolarHBondContact O-N 3.26Å
179A98.5Very high98.1Very high0 Ų059 Ų590%031%0.307CS..Hα-helixtrans-63.5-40.6173.900000112S175 Y176 Q177 L182 D183 Y189S175-A179 PolarHBondContact O-N 3.46Å; Y176-A179 WeakPolarHBondContact O-CB 2.85Å; Y176-A179 PolarHBondContact O-N 2.86Å; Q177-A179 VanDerWaalsContact C-N 3.29Å; Q177-A179 PolarHBondContact O-N 3.34Å; A179-L182 PolarHBondContact O-N 3.15Å; A179-D183 PolarHBondContact O-N 3.34Å; A179-Y189 HydrophobicContact CB-CD1 4.49Å; A179-Y189 HydrophobicContact CB-CD2 3.57Å; A179-Y189 HydrophobicContact CB-CE2 3.76Å; A179-Y189 HydrophobicContact CB-CG 4Å
180L98.6Very high98.2Very high28 Ų2862.2 Ų62.215%0.14732%0.321CS..Hα-helixtrans-73.4-31.1177.3-75.8166.7000113.5Y176 Q177 L182 D183 P184 Y189 K190 L193Y176-L180 WeakPolarHBondContact O-CG 3.32Å; Y176-L180 PolarHBondContact O-N 3.32Å; Q177-L180 PolarHBondContact O-N 3.48Å; Q177-L180 VanDerWaalsContact O-N 3.12Å; L180-L182 PolarHBondContact O-N 2.96Å; L180-D183 CarbonylContact O-C 3.59Å; L180-D183 PolarHBondContact O-N 2.98Å; L180-P184 WeakPolarHBondContact O-CA 3.42Å; L180-P184 WeakPolarHBondContact O-CD 3.28Å; L180-P184 VanDerWaalsContact O-CG 3.31Å; L180-P184 WeakPolarHBondContact O-CG 3.44Å; L180-P184 VanDerWaalsContact O-N 3.07Å; L180-Y189 HydrophobicContact CD2-CD2 4.46Å; L180-K190 HydrophobicContact CD1-CG 4.34Å; L180-K190 HydrophobicContact CD2-CG 3.7Å; L180-L193 HydrophobicContact CD1-CB 4.49Å; L180-L193 HydrophobicContact CD1-CD2 3.67Å
181D98.4Very high98.2Very high116 Ų11658.7 Ų58.762%0.6231%0.312SS*.Hα-helixtrans-59.8-33.7171.2-70.1-18.6000111.3Q177 K178Q177-D181 PolarHBondContact O-N 2.9Å; K178-D181 PolarHBondContact O-N 3.34Å
182L97.3Very high98.2Very high61 Ų6155.8 Ų55.832%0.31930%0.3SS..Hα-helixtrans-88.6-32.5-179.7-65.5169.9000112.9K151 Y156 K178 A179 L180K151-L182 HydrophobicContact CB-CD2 4.29Å; K151-L182 HydrophobicContact CG-CD2 4.44Å; Y156-L182 HydrophobicContact CD2-CD1 3.69Å; Y156-L182 HydrophobicContact CE2-CD1 3.55Å; K178-L182 WeakPolarHBondContact O-CG 3.48Å; K178-L182 PolarHBondContact O-N 3.26Å; A179-L182 PolarHBondContact O-N 3.15Å; L180-L182 PolarHBondContact O-N 2.96Å
183D97.8Very high98.2Very high54 Ų5456.8 Ų56.829%0.28931%0.305SS..  trans-139.880.4179.9-176.410.9000110.7A179 L180 E185 N186 Y189A179-D183 PolarHBondContact O-N 3.34Å; L180-D183 CarbonylContact O-C 3.59Å; L180-D183 PolarHBondContact O-N 2.98Å; D183-E185 PolarHBondContact O-N 3.07Å; D183-N186 HydrophobicContact CB-CB 4.42Å; D183-N186 WeakPolarHBondContact O-CB 3.45Å; D183-N186 PolarHBondContact O-N 3.47Å; D183-N186 WeakPolarHBondContact OD2-CB 3.48Å; D183-N186 PolarHBondContact OD2-ND2 3.43Å; D183-Y189 HydrophobicContact CB-CE2 4.19Å
184P98.1Very high98.2Very high73 Ų7362.9 Ų62.947%0.47433%0.33SS..THydrogen-bonded Turntrans-66.9-21.5-171.3-2232.6000114.7L180 N186 K190L180-P184 WeakPolarHBondContact O-CA 3.42Å; L180-P184 WeakPolarHBondContact O-CD 3.28Å; L180-P184 VanDerWaalsContact O-CG 3.31Å; L180-P184 WeakPolarHBondContact O-CG 3.44Å; L180-P184 VanDerWaalsContact O-N 3.07Å; P184-N186 VanDerWaalsContact C-N 3.34Å; P184-K190 WeakPolarHBondContact O-CE 3.47Å; P184-K190 PolarHBondContact O-NZ 3Å
185E97.4Very high98.1Very high147 Ų14762.7 Ų62.769%0.68733%0.325SS*.THydrogen-bonded Turntrans-91.72.9-175.9-61.9-51.8135.300113.1D183 D187 K190D183-E185 PolarHBondContact O-N 3.07Å; E185-D187 PolarHBondContact O-N 3.34Å; E185-D187 VanDerWaalsContact O-N 3.11Å; E185-K190 IonicContact OE2-NZ 3.23Å
186N97.9Very high98.1Very high39 Ų3962.4 Ų62.421%0.20932%0.323CS..  trans-76.7100.4-177.8-158.8-58.9000113D183 P184 S188 Y189 K190D183-N186 HydrophobicContact CB-CB 4.42Å; D183-N186 WeakPolarHBondContact O-CB 3.45Å; D183-N186 PolarHBondContact O-N 3.47Å; D183-N186 WeakPolarHBondContact OD2-CB 3.48Å; D183-N186 PolarHBondContact OD2-ND2 3.43Å; P184-N186 VanDerWaalsContact C-N 3.34Å; N186-S188 PolarHBondContact O-N 2.89Å; N186-S188 WeakPolarHBondContact OD1-CB 3.36Å; N186-S188 PolarHBondContact OD1-N 3.41Å; N186-Y189 HydrophobicContact CB-CD2 3.37Å; N186-Y189 HydrophobicContact CB-CE2 3.73Å; N186-Y189 HydrophobicContact CB-CG 3.83Å; N186-Y189 WeakPolarHBondContact ND2-CE2 3.39Å; N186-Y189 PolarHBondContact O-N 3.12Å; N186-Y189 VanDerWaalsContact O-N 3.13Å; N186-Y189 PolarHBondContact OD1-N 3.36Å; N186-K190 PolarHBondContact O-N 3.48Å; N186-K190 VanDerWaalsContact O-N 3.13Å
187D98.1Very high98Very high112 Ų11266.2 Ų66.260%0.59934%0.341SS*.Hα-helixtrans-61.5-28.6-179.1-69.9-30000114E185 K190 S191E185-D187 PolarHBondContact O-N 3.34Å; E185-D187 VanDerWaalsContact O-N 3.11Å; D187-K190 IonicContact OD1-NZ 2.77Å; D187-S191 VanDerWaalsContact O-CB 3.31Å; D187-S191 WeakPolarHBondContact O-CB 3.25Å; D187-S191 PolarHBondContact O-N 2.85Å; D187-S191 PolarHBondContact O-OG 2.96Å
188S97.6Very high97.8Very high61 Ų6167.5 Ų67.543%0.42735%0.346SS..Hα-helixtrans-66.3-44.8175.9-173.40000110.7N186 S191 N192N186-S188 PolarHBondContact O-N 2.89Å; N186-S188 WeakPolarHBondContact OD1-CB 3.36Å; N186-S188 PolarHBondContact OD1-N 3.41Å; S188-S191 PolarHBondContact O-N 3.31Å; S188-N192 WeakPolarHBondContact O-CB 3.36Å; S188-N192 VanDerWaalsContact O-CG 3.23Å; S188-N192 PolarHBondContact O-N 3.34Å; S188-N192 PolarHBondContact O-ND2 3.2Å; S188-N192 VanDerWaalsContact O-ND2 3.13Å; S188-N192 PolarHBondContact OG-ND2 3.37Å
189Y98.4Very high97.5Very high18 Ų1867.4 Ų67.47%0.07135%0.346CS..Hα-helixtrans-65.1-42.1177.3-56-18.6000111.5K154 A179 L180 D183 N186 S191 N192 L193K154-Y189 WeakPolarHBondContact CA-OH 3.24Å; K154-Y189 PolarHBondContact N-OH 3.34Å; A179-Y189 HydrophobicContact CB-CD1 4.49Å; A179-Y189 HydrophobicContact CB-CD2 3.57Å; A179-Y189 HydrophobicContact CB-CE2 3.76Å; A179-Y189 HydrophobicContact CB-CG 4Å; L180-Y189 HydrophobicContact CD2-CD2 4.46Å; D183-Y189 HydrophobicContact CB-CE2 4.19Å; N186-Y189 HydrophobicContact CB-CD2 3.37Å; N186-Y189 HydrophobicContact CB-CE2 3.73Å; N186-Y189 HydrophobicContact CB-CG 3.83Å; N186-Y189 WeakPolarHBondContact ND2-CE2 3.39Å; N186-Y189 PolarHBondContact O-N 3.12Å; N186-Y189 VanDerWaalsContact O-N 3.13Å; N186-Y189 PolarHBondContact OD1-N 3.36Å; Y189-S191 VanDerWaalsContact C-N 3.35Å; Y189-S191 PolarHBondContact O-N 3.27Å; Y189-N192 PolarHBondContact O-N 3.24Å; Y189-L193 WeakPolarHBondContact O-CB 3.45Å; Y189-L193 PolarHBondContact O-N 2.89Å
190K98.6Very high97.2Very high80 Ų8069.8 Ų69.835%0.34836%0.358SS..Hα-helixtrans-57.9-47.7175-65176-172.8163.80111.5L180 P184 E185 N186 D187 K194L180-K190 HydrophobicContact CD1-CG 4.34Å; L180-K190 HydrophobicContact CD2-CG 3.7Å; P184-K190 WeakPolarHBondContact O-CE 3.47Å; P184-K190 PolarHBondContact O-NZ 3Å; E185-K190 IonicContact OE2-NZ 3.23Å; N186-K190 PolarHBondContact O-N 3.48Å; N186-K190 VanDerWaalsContact O-N 3.13Å; D187-K190 IonicContact OD1-NZ 2.77Å; K190-K194 PolarHBondContact O-N 3.33Å; K190-K194 VanDerWaalsContact O-N 3.12Å
191S98.3Very high96.8Very high67 Ų6777.3 Ų77.347%0.46939%0.385SS..Hα-helixtrans-65.6-45.8-178.6-59.60000111.5D187 S188 Y189 K194 I195D187-S191 VanDerWaalsContact O-CB 3.31Å; D187-S191 WeakPolarHBondContact O-CB 3.25Å; D187-S191 PolarHBondContact O-N 2.85Å; D187-S191 PolarHBondContact O-OG 2.96Å; S188-S191 PolarHBondContact O-N 3.31Å; Y189-S191 VanDerWaalsContact C-N 3.35Å; Y189-S191 PolarHBondContact O-N 3.27Å; S191-K194 PolarHBondContact O-N 3.44Å; S191-I195 WeakPolarHBondContact O-CG1 3.5Å; S191-I195 PolarHBondContact O-N 3.11Å; S191-I195 VanDerWaalsContact O-N 3.09Å
192N98.1Very high96.2Very high32 Ų3276.2 Ų76.217%0.17138%0.376CS..Hα-helixtrans-70.4-35.6-179.4-68.2-29.7000112.7Y176 S188 Y189 I195 A196Y176-N192 HydrophobicContact CD1-CB 4.15Å; Y176-N192 HydrophobicContact CD2-CB 4.49Å; Y176-N192 HydrophobicContact CE1-CB 3.54Å; Y176-N192 HydrophobicContact CE2-CB 3.95Å; Y176-N192 VanDerWaalsContact CZ-CB 3.41Å; S188-N192 WeakPolarHBondContact O-CB 3.36Å; S188-N192 VanDerWaalsContact O-CG 3.23Å; S188-N192 PolarHBondContact O-N 3.34Å; S188-N192 PolarHBondContact O-ND2 3.2Å; S188-N192 VanDerWaalsContact O-ND2 3.13Å; S188-N192 PolarHBondContact OG-ND2 3.37Å; Y189-N192 PolarHBondContact O-N 3.24Å; N192-I195 PolarHBondContact O-N 3.25Å; N192-A196 WeakPolarHBondContact O-CB 3.42Å; N192-A196 PolarHBondContact O-N 2.97Å
193L98.4Very high95.4Very high21 Ų2177.8 Ų77.811%0.1139%0.388CS..Hα-helixtrans-57.4-50.7171.1174.458.5000110.4V173 Y176 Q177 L180 Y189 I195 A196 E197V173-L193 HydrophobicContact CB-CD1 4.17Å; V173-L193 HydrophobicContact CG1-CD1 3.85Å; V173-L193 HydrophobicContact CG2-CD1 4.13Å; Y176-L193 HydrophobicContact CG-CB 4.36Å; Q177-L193 HydrophobicContact CG-CD1 4.13Å; Q177-L193 HydrophobicContact CG-CD2 3.99Å; L180-L193 HydrophobicContact CD1-CB 4.49Å; L180-L193 HydrophobicContact CD1-CD2 3.67Å; Y189-L193 WeakPolarHBondContact O-CB 3.45Å; Y189-L193 PolarHBondContact O-N 2.89Å; L193-I195 VanDerWaalsContact C-N 3.28Å; L193-I195 PolarHBondContact O-N 3.46Å; L193-A196 PolarHBondContact O-N 3.36Å; L193-A196 VanDerWaalsContact O-N 3.09Å; L193-E197 HydrophobicContact CD1-CG 3.99Å; L193-E197 HydrophobicContact CG-CG 4.39Å; L193-E197 WeakPolarHBondContact O-CG 3.45Å; L193-E197 PolarHBondContact O-N 3.34Å
194K97.9Very high94.1Very high145 Ų14579.2 Ų79.263%0.6340%0.403SS*.Hα-helixtrans-58.5-40.8178.7-174.9179.7179.3-178.20112.2K190 S191 Q198K190-K194 PolarHBondContact O-N 3.33Å; K190-K194 VanDerWaalsContact O-N 3.12Å; S191-K194 PolarHBondContact O-N 3.44Å; K194-Q198 WeakPolarHBondContact O-CB 3.44Å; K194-Q198 PolarHBondContact O-N 2.9Å
195I96.7Very high91.9Very high85 Ų8578.6 Ų78.644%0.43640%0.4SS..Hα-helixtrans-63.2-46.4175.5-68.2165.7000110.5S191 N192 L193 Q198 K199S191-I195 WeakPolarHBondContact O-CG1 3.5Å; S191-I195 PolarHBondContact O-N 3.11Å; S191-I195 VanDerWaalsContact O-N 3.09Å; N192-I195 PolarHBondContact O-N 3.25Å; L193-I195 VanDerWaalsContact C-N 3.28Å; L193-I195 PolarHBondContact O-N 3.46Å; I195-Q198 PolarHBondContact O-N 3.05Å; I195-K199 WeakPolarHBondContact O-CB 3.39Å; I195-K199 WeakPolarHBondContact O-CG 3.5Å; I195-K199 PolarHBondContact O-N 3.34Å
196A97.3Very high89.6Confident0 Ų076 Ų760%040%0.396CS..Hα-helixtrans-63.3-42.7179.100000112.1A172 V173 Y176 N192 L193 K199 L200A172-A196 HydrophobicContact CB-CB 4.28Å; V173-A196 HydrophobicContact CG2-CB 3.83Å; Y176-A196 HydrophobicContact CD2-CB 4.27Å; Y176-A196 HydrophobicContact CE2-CB 4.15Å; N192-A196 WeakPolarHBondContact O-CB 3.42Å; N192-A196 PolarHBondContact O-N 2.97Å; L193-A196 PolarHBondContact O-N 3.36Å; L193-A196 VanDerWaalsContact O-N 3.09Å; A196-K199 PolarHBondContact O-N 2.9Å; A196-L200 WeakPolarHBondContact O-CB 3.44Å; A196-L200 PolarHBondContact O-N 3.39Å
197E96.6Very high87.2Confident82 Ų8278.4 Ų78.438%0.38341%0.412SS..Hα-helixtrans-63.4-41.1175.8-71.7177.6162.600112.5V173 L193 L200 R201V173-E197 HydrophobicContact CG1-CG 4.41Å; V173-E197 HydrophobicContact CG2-CG 3.79Å; L193-E197 HydrophobicContact CD1-CG 3.99Å; L193-E197 HydrophobicContact CG-CG 4.39Å; L193-E197 WeakPolarHBondContact O-CG 3.45Å; L193-E197 PolarHBondContact O-N 3.34Å; E197-L200 PolarHBondContact O-N 3.35Å; E197-R201 PolarHBondContact O-N 3.4Å
198Q94.8Very high84.6Confident109 Ų10976.5 Ų76.551%0.50942%0.419SS..Hα-helixtrans-62.7-48.2175.3-179.9-178.3-22.200110.5K194 I195 L200 R201 E202K194-Q198 WeakPolarHBondContact O-CB 3.44Å; K194-Q198 PolarHBondContact O-N 2.9Å; I195-Q198 PolarHBondContact O-N 3.05Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-L200 PolarHBondContact O-N 3.11Å; Q198-R201 WeakPolarHBondContact O-CB 3.37Å; Q198-R201 PolarHBondContact O-N 2.85Å; Q198-R201 VanDerWaalsContact O-N 3.14Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.44Å; Q198-E202 PolarHBondContact NE2-OE1 3.01Å; Q198-E202 WeakPolarHBondContact O-CG 3.16Å; Q198-E202 PolarHBondContact O-N 3.41Å
199K93.2Very high82Confident85 Ų8578.7 Ų78.737%0.3743%0.43SS..Hα-helixtrans-61.9-41178.3-76.1-76.7165.5-1500112.3F169 I195 A196 R201 E202 V203F169-K199 HydrophobicContact CD1-CB 3.53Å; F169-K199 HydrophobicContact CD1-CG 4.31Å; F169-K199 HydrophobicContact CD2-CB 3.88Å; F169-K199 HydrophobicContact CE1-CB 3.47Å; F169-K199 VanDerWaalsContact CE1-CB 3.47Å; F169-K199 HydrophobicContact CE1-CD 4.23Å; F169-K199 HydrophobicContact CE1-CG 3.83Å; F169-K199 HydrophobicContact CE2-CB 3.82Å; F169-K199 HydrophobicContact CE2-CD 4.49Å; F169-K199 HydrophobicContact CG-CB 3.74Å; F169-K199 HydrophobicContact CZ-CB 3.61Å; F169-K199 HydrophobicContact CZ-CD 3.91Å; F169-K199 HydrophobicContact CZ-CG 3.99Å; I195-K199 WeakPolarHBondContact O-CB 3.39Å; I195-K199 WeakPolarHBondContact O-CG 3.5Å; I195-K199 PolarHBondContact O-N 3.34Å; A196-K199 PolarHBondContact O-N 2.9Å; K199-R201 VanDerWaalsContact C-N 3.3Å; K199-R201 PolarHBondContact O-N 3.08Å; K199-E202 IonicContact NZ-OE2 3.67Å; K199-E202 PolarHBondContact NZ-OE2 3.49Å; K199-E202 WeakPolarHBondContact O-CB 3.46Å; K199-E202 PolarHBondContact O-N 3.12Å; K199-V203 WeakPolarHBondContact O-CG2 3.11Å; K199-V203 PolarHBondContact O-N 3.5Å
200L92.6Very high79.4Confident50 Ų5080.1 Ų80.126%0.26245%0.45SS..Hα-helixtrans-59.8-41.9173.8-176.459.3000111.3F169 E170 A196 E197 Q198 V203 S204F169-L200 HydrophobicContact CB-CB 3.81Å; F169-L200 HydrophobicContact CB-CD1 4.18Å; E170-L200 HydrophobicContact CB-CD1 4.23Å; E170-L200 HydrophobicContact CB-CD2 4.45Å; A196-L200 WeakPolarHBondContact O-CB 3.44Å; A196-L200 PolarHBondContact O-N 3.39Å; E197-L200 PolarHBondContact O-N 3.35Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-L200 PolarHBondContact O-N 3.11Å; L200-V203 PolarHBondContact O-N 2.93Å; L200-S204 VanDerWaalsContact O-CB 3.3Å; L200-S204 WeakPolarHBondContact O-CB 3.26Å; L200-S204 PolarHBondContact O-N 3.33Å; L200-S204 PolarHBondContact O-OG 3.23Å; L200-S204 VanDerWaalsContact O-OG 3.06Å
201R90.2Very high76.7Confident186 Ų18682.3 Ų82.370%0.70247%0.465SS*.Hα-helixtrans-65.8-39.3176.4-168-172.9-57.2-130.3-0.7112.5E197 Q198 K199 V203 S204 S205E197-R201 PolarHBondContact O-N 3.4Å; Q198-R201 WeakPolarHBondContact O-CB 3.37Å; Q198-R201 PolarHBondContact O-N 2.85Å; Q198-R201 VanDerWaalsContact O-N 3.14Å; K199-R201 VanDerWaalsContact C-N 3.3Å; K199-R201 PolarHBondContact O-N 3.08Å; R201-V203 VanDerWaalsContact C-N 3.33Å; R201-S204 PolarHBondContact O-N 3.26Å; R201-S205 WeakPolarHBondContact O-CB 3.39Å; R201-S205 PolarHBondContact O-N 3.05Å; R201-S205 PolarHBondContact O-OG 3.37Å
202E85.4Confident74.2Confident93 Ų9383.4 Ų83.444%0.43547%0.472SS..Hα-helixtrans-62-40.6175.3-72.2170-169.300111.2Q198 K199Q198-E202 WeakPolarHBondContact CG-OE1 3.44Å; Q198-E202 PolarHBondContact NE2-OE1 3.01Å; Q198-E202 WeakPolarHBondContact O-CG 3.16Å; Q198-E202 PolarHBondContact O-N 3.41Å; K199-E202 IonicContact NZ-OE2 3.67Å; K199-E202 PolarHBondContact NZ-OE2 3.49Å; K199-E202 WeakPolarHBondContact O-CB 3.46Å; K199-E202 PolarHBondContact O-N 3.12Å
203V79.5Confident72Confident95 Ų9588.6 Ų88.658%0.57649%0.494SS*.Hα-helixtrans-73.5-40.9177.4177.10000111.9F169 K199 L200 R201 S205F169-V203 HydrophobicContact CD2-CG2 3.91Å; F169-V203 HydrophobicContact CE2-CG2 3.74Å; K199-V203 WeakPolarHBondContact O-CG2 3.11Å; K199-V203 PolarHBondContact O-N 3.5Å; L200-V203 PolarHBondContact O-N 2.93Å; R201-V203 VanDerWaalsContact C-N 3.33Å; V203-S205 VanDerWaalsContact C-N 3.32Å
204S70.4Confident70.1Confident84 Ų8491.8 Ų91.859%0.58751%0.511SS*.Hα-helixtrans-78.9-14.2-179.8-62.10000113.9L200 R201 P206L200-S204 VanDerWaalsContact O-CB 3.3Å; L200-S204 WeakPolarHBondContact O-CB 3.26Å; L200-S204 PolarHBondContact O-N 3.33Å; L200-S204 PolarHBondContact O-OG 3.23Å; L200-S204 VanDerWaalsContact O-OG 3.06Å; R201-S204 PolarHBondContact O-N 3.26Å; S204-P206 WeakPolarHBondContact O-CD 3.47Å
205S51.8Low68Low60 Ų6090.2 Ų90.242%0.4251%0.507SS..  trans-10377.8168.1-57.70000109.6R201 V203 T207R201-S205 WeakPolarHBondContact O-CB 3.39Å; R201-S205 PolarHBondContact O-N 3.05Å; R201-S205 PolarHBondContact O-OG 3.37Å; V203-S205 VanDerWaalsContact C-N 3.32Å; S205-T207 PolarHBondContact O-N 3.26Å
206P49.7Very low66Low92 Ų9288.9 Ų88.960%0.59751%0.509SS*.  trans-71.375.6161.433.4-31.9000107.7S204 G208S204-P206 WeakPolarHBondContact O-CD 3.47Å; P206-G208 PolarHBondContact O-N 2.77Å; P206-G208 VanDerWaalsContact O-N 3.08Å
207T46.7Very low64.2Low90 Ų9092 Ų9255%0.55253%0.53SS*.THydrogen-bonded Turntrans-66.211148.935.70000111.5S205 S212S205-T207 PolarHBondContact O-N 3.26Å; T207-S212 PolarHBondContact O-N 3.31Å
208G44.2Very low62.5Low72 Ų7289.4 Ų89.474%0.74252%0.519SS*.THydrogen-bonded Turntrans-82.88.3168.500000116.1P206 G210P206-G208 PolarHBondContact O-N 2.77Å; P206-G208 VanDerWaalsContact O-N 3.08Å; G208-G210 PolarHBondContact O-N 3.01Å
209T43.3Very low61.1Low106 Ų10689 Ų8965%0.6552%0.52SS*.THydrogen-bonded Turntrans-74.159.4146.654.90000109.4L211T209-L211 PolarHBondContact O-N 3.43Å
210G43.8Very low59.9Low48 Ų4891.2 Ų91.250%0.49554%0.535SS..THydrogen-bonded Turntrans46.827.3164.600000119G208G208-G210 PolarHBondContact O-N 3.01Å
211L42.4Very low58.7Low126 Ų12692.2 Ų92.266%0.6654%0.541SS*.  trans-140.440.5177.8-68.2177000111.3T209 F213T209-L211 PolarHBondContact O-N 3.43Å; L211-F213 HydrophobicContact CD2-CD2 4.46Å; L211-F213 HydrophobicContact CD2-CE2 4.26Å; L211-F213 PolarHBondContact O-N 3.14Å
212S46.1Very low57.8Low90 Ų9088.2 Ų88.263%0.62954%0.539SS*.  trans-68.779.5155.662.70000107.9T207 D214T207-S212 PolarHBondContact O-N 3.31Å; S212-D214 PolarHBondContact O-N 3.41Å
213F51.2Low57Low141 Ų14186.7 Ų86.762%0.61854%0.542SS*.  trans-65.790.7158.5-95.8-72.6000106.7L211 M215 L218L211-F213 HydrophobicContact CD2-CD2 4.46Å; L211-F213 HydrophobicContact CD2-CE2 4.26Å; L211-F213 PolarHBondContact O-N 3.14Å; F213-M215 VanDerWaalsContact C-N 3.3Å; F213-M215 PolarHBondContact O-N 2.96Å; F213-L218 HydrophobicContact CD1-CD1 3.21Å; F213-L218 HydrophobicContact CD1-CD2 4.08Å; F213-L218 HydrophobicContact CD1-CG 3.84Å; F213-L218 HydrophobicContact CE1-CD1 3.62Å; F213-L218 HydrophobicContact CE1-CD2 3.99Å; F213-L218 HydrophobicContact CE1-CG 4.23Å; F213-L218 HydrophobicContact CG-CD1 4.23Å
214D57.7Low56.6Low88 Ų8885.8 Ų85.847%0.47153%0.531SS..  trans-65.897.1166.3171.725.6000107.7S212 A216 S217 L218S212-D214 PolarHBondContact O-N 3.41Å; D214-A216 PolarHBondContact O-N 3.09Å; D214-A216 VanDerWaalsContact O-N 3.12Å; D214-A216 WeakPolarHBondContact OD1-CB 3.48Å; D214-A216 PolarHBondContact OD1-N 3.48Å; D214-A216 VanDerWaalsContact OD1-N 3.12Å; D214-S217 WeakPolarHBondContact CB-OG 3.45Å; D214-S217 PolarHBondContact O-N 3.06Å; D214-S217 VanDerWaalsContact O-N 3.08Å; D214-S217 PolarHBondContact O-OG 3.31Å; D214-S217 VanDerWaalsContact O-OG 3.05Å; D214-S217 VanDerWaalsContact OD2-CB 3.32Å; D214-S217 WeakPolarHBondContact OD2-CB 3.2Å; D214-S217 PolarHBondContact OD2-N 2.97Å; D214-S217 PolarHBondContact OD2-OG 3.09Å; D214-L218 PolarHBondContact O-N 3.41Å; D214-L218 VanDerWaalsContact O-N 3.1Å
215M53.8Low56.8Low112 Ų11286.2 Ų86.255%0.55253%0.525SS*.Hα-helixtrans-56.3-28.5180-17462.372.800111F213 L218 I219F213-M215 VanDerWaalsContact C-N 3.3Å; F213-M215 PolarHBondContact O-N 2.96Å; M215-L218 PolarHBondContact O-N 3.15Å; M215-L218 HydrophobicContact SD-CD1 4.49Å; M215-I219 HydrophobicContact CG-CD1 3.84Å; M215-I219 HydrophobicContact CG-CG1 4.33Å; M215-I219 WeakPolarHBondContact O-CB 3.42Å; M215-I219 WeakPolarHBondContact O-CD1 3.42Å; M215-I219 WeakPolarHBondContact O-CG1 3.43Å; M215-I219 PolarHBondContact O-N 3.3Å; M215-I219 HydrophobicContact SD-CD1 4.38Å; M215-I219 HydrophobicContact SD-CG1 4.34Å
216A54.9Low57.8Low57 Ų5786.4 Ų86.447%0.47153%0.527SS..Hα-helixtrans-70.6-33.2178.900000113D214 N220D214-A216 PolarHBondContact O-N 3.09Å; D214-A216 VanDerWaalsContact O-N 3.12Å; D214-A216 WeakPolarHBondContact OD1-CB 3.48Å; D214-A216 PolarHBondContact OD1-N 3.48Å; D214-A216 VanDerWaalsContact OD1-N 3.12Å; A216-N220 PolarHBondContact O-ND2 2.83Å
217S59.3Low58.9Low65 Ų6586.7 Ų86.746%0.45552%0.522SS..Hα-helixtrans-83.5-25.6174.342.60000113.1D214 N221D214-S217 WeakPolarHBondContact CB-OG 3.45Å; D214-S217 PolarHBondContact O-N 3.06Å; D214-S217 VanDerWaalsContact O-N 3.08Å; D214-S217 PolarHBondContact O-OG 3.31Å; D214-S217 VanDerWaalsContact O-OG 3.05Å; D214-S217 VanDerWaalsContact OD2-CB 3.32Å; D214-S217 WeakPolarHBondContact OD2-CB 3.2Å; D214-S217 PolarHBondContact OD2-N 2.97Å; D214-S217 PolarHBondContact OD2-OG 3.09Å; S217-N221 PolarHBondContact O-N 2.96Å
218L60.7Low60Low29 Ų2984.3 Ų84.315%0.15251%0.511CS..Hα-helixtrans-68.1-43.3169.4-77.3-175000113.4F213 D214 M215 N220 N221 F224F213-L218 HydrophobicContact CD1-CD1 3.21Å; F213-L218 HydrophobicContact CD1-CD2 4.08Å; F213-L218 HydrophobicContact CD1-CG 3.84Å; F213-L218 HydrophobicContact CE1-CD1 3.62Å; F213-L218 HydrophobicContact CE1-CD2 3.99Å; F213-L218 HydrophobicContact CE1-CG 4.23Å; F213-L218 HydrophobicContact CG-CD1 4.23Å; D214-L218 PolarHBondContact O-N 3.41Å; D214-L218 VanDerWaalsContact O-N 3.1Å; M215-L218 PolarHBondContact O-N 3.15Å; M215-L218 HydrophobicContact SD-CD1 4.49Å; L218-N220 PolarHBondContact O-N 3.42Å; L218-N221 WeakPolarHBondContact O-CB 3.26Å; L218-N221 PolarHBondContact O-N 2.71Å; L218-F224 HydrophobicContact CB-CD1 4.01Å; L218-F224 HydrophobicContact CB-CE1 4.15Å; L218-F224 HydrophobicContact CB-CG 4.27Å; L218-F224 HydrophobicContact CD1-CD2 4.43Å; L218-F224 HydrophobicContact CD1-CE1 4.45Å; L218-F224 HydrophobicContact CD1-CE2 4.04Å; L218-F224 HydrophobicContact CD1-CZ 4.05Å; L218-F224 HydrophobicContact CD2-CB 4.47Å; L218-F224 HydrophobicContact CD2-CD2 3.97Å; L218-F224 HydrophobicContact CD2-CE2 4.39Å; L218-F224 HydrophobicContact CD2-CG 4.14Å; L218-F224 WeakPolarHBondContact O-CD1 3.35Å
219I66.3Low61.3Low101 Ų10182.8 Ų82.852%0.51849%0.491SS..Hα-helixtrans-61.4-29.1178.9-71.5165.8000111M215 I225M215-I219 HydrophobicContact CG-CD1 3.84Å; M215-I219 HydrophobicContact CG-CG1 4.33Å; M215-I219 WeakPolarHBondContact O-CB 3.42Å; M215-I219 WeakPolarHBondContact O-CD1 3.42Å; M215-I219 WeakPolarHBondContact O-CG1 3.43Å; M215-I219 PolarHBondContact O-N 3.3Å; M215-I219 HydrophobicContact SD-CD1 4.38Å; M215-I219 HydrophobicContact SD-CG1 4.34Å; I219-I225 VanDerWaalsContact O-CD1 3.31Å; I219-I225 WeakPolarHBondContact O-CD1 3.49Å
220N67.2Low62.8Low131 Ų13181.4 Ų81.470%0.70149%0.486SS*.THydrogen-bonded Turntrans-92.40.2177.1-71.4-50.7000113.8A216 L218 P222A216-N220 PolarHBondContact O-ND2 2.83Å; L218-N220 PolarHBondContact O-N 3.42Å; N220-P222 WeakPolarHBondContact O-CD 3.41Å
221N67.6Low64Low70 Ų7081.8 Ų81.837%0.37448%0.476SS..  trans-88.2115.4179.4-172.4-35.3000110.7S217 L218 A223 F224 I225S217-N221 PolarHBondContact O-N 2.96Å; L218-N221 WeakPolarHBondContact O-CB 3.26Å; L218-N221 PolarHBondContact O-N 2.71Å; N221-A223 VanDerWaalsContact C-N 3.25Å; N221-A223 PolarHBondContact O-N 3.34Å; N221-A223 WeakPolarHBondContact OD1-CB 3.39Å; N221-A223 PolarHBondContact OD1-N 3.31Å; N221-F224 HydrophobicContact CB-CB 4.02Å; N221-F224 WeakPolarHBondContact O-CB 3.44Å; N221-F224 PolarHBondContact O-N 2.78Å; N221-I225 WeakPolarHBondContact O-CG1 3.4Å; N221-I225 PolarHBondContact O-N 3.45Å
222P71.1Confident65.2Low102 Ų10281.4 Ų81.466%0.66247%0.473SS*.Hα-helixtrans-59.2-33.9-177.9-21.531.9000113.6N220 I225 S226N220-P222 WeakPolarHBondContact O-CD 3.41Å; P222-I225 PolarHBondContact O-N 3.43Å; P222-S226 WeakPolarHBondContact O-CB 3.45Å; P222-S226 PolarHBondContact O-N 3.36Å; P222-S226 PolarHBondContact O-OG 3.49Å
223A68.8Low66.5Low61 Ų6184.4 Ų84.450%0.50448%0.477SS..Hα-helixtrans-67.4-40.317800000110.9N221 S226 M227N221-A223 VanDerWaalsContact C-N 3.25Å; N221-A223 PolarHBondContact O-N 3.34Å; N221-A223 WeakPolarHBondContact OD1-CB 3.39Å; N221-A223 PolarHBondContact OD1-N 3.31Å; A223-S226 PolarHBondContact O-N 2.81Å; A223-S226 PolarHBondContact O-OG 3.48Å; A223-M227 WeakPolarHBondContact O-CB 3.47Å; A223-M227 PolarHBondContact O-N 2.98Å
224F71.7Confident67.8Low77 Ų7779.1 Ų79.134%0.33846%0.455SS..Hα-helixtrans-68.5-43.5176.1-174.2-99.5000111.9L218 N221 S226 M227 A228L218-F224 HydrophobicContact CB-CD1 4.01Å; L218-F224 HydrophobicContact CB-CE1 4.15Å; L218-F224 HydrophobicContact CB-CG 4.27Å; L218-F224 HydrophobicContact CD1-CD2 4.43Å; L218-F224 HydrophobicContact CD1-CE1 4.45Å; L218-F224 HydrophobicContact CD1-CE2 4.04Å; L218-F224 HydrophobicContact CD1-CZ 4.05Å; L218-F224 HydrophobicContact CD2-CB 4.47Å; L218-F224 HydrophobicContact CD2-CD2 3.97Å; L218-F224 HydrophobicContact CD2-CE2 4.39Å; L218-F224 HydrophobicContact CD2-CG 4.14Å; L218-F224 WeakPolarHBondContact O-CD1 3.35Å; N221-F224 HydrophobicContact CB-CB 4.02Å; N221-F224 WeakPolarHBondContact O-CB 3.44Å; N221-F224 PolarHBondContact O-N 2.78Å; F224-S226 VanDerWaalsContact C-N 3.29Å; F224-S226 PolarHBondContact O-N 3.3Å; F224-M227 PolarHBondContact O-N 2.86Å; F224-A228 VanDerWaalsContact O-CB 3.32Å; F224-A228 WeakPolarHBondContact O-CB 3.28Å; F224-A228 PolarHBondContact O-N 2.73Å
225I73.6Confident68.5Low92 Ų9279 Ų7947%0.47246%0.459SS..Hα-helixtrans-58.1-43.9174.1-62.5170.7000110.4I219 N221 P222 A228 A229I219-I225 VanDerWaalsContact O-CD1 3.31Å; I219-I225 WeakPolarHBondContact O-CD1 3.49Å; N221-I225 WeakPolarHBondContact O-CG1 3.4Å; N221-I225 PolarHBondContact O-N 3.45Å; P222-I225 PolarHBondContact O-N 3.43Å; I225-A228 PolarHBondContact O-N 3.08Å; I225-A229 VanDerWaalsContact O-CB 3.24Å; I225-A229 WeakPolarHBondContact O-CB 3.41Å; I225-A229 PolarHBondContact O-N 2.84Å
226S73.8Confident69.2Low65 Ų6579.5 Ų79.546%0.45546%0.46SS..Hα-helixtrans-67-37.6179.4740000112.9P222 A223 F224 S230P222-S226 WeakPolarHBondContact O-CB 3.45Å; P222-S226 PolarHBondContact O-N 3.36Å; P222-S226 PolarHBondContact O-OG 3.49Å; A223-S226 PolarHBondContact O-N 2.81Å; A223-S226 PolarHBondContact O-OG 3.48Å; F224-S226 VanDerWaalsContact C-N 3.29Å; F224-S226 PolarHBondContact O-N 3.3Å; S226-S230 WeakPolarHBondContact O-CB 3.49Å; S226-S230 PolarHBondContact O-N 3.21Å; S226-S230 PolarHBondContact O-OG 3.34Å
227M73.6Confident70Confident98 Ų9879.2 Ų79.248%0.48345%0.452SS..Hα-helixtrans-68.6-44.9175.7-178.8177.6-77.100111.1A223 F224 S230 L231A223-M227 WeakPolarHBondContact O-CB 3.47Å; A223-M227 PolarHBondContact O-N 2.98Å; F224-M227 PolarHBondContact O-N 2.86Å; M227-S230 PolarHBondContact O-N 3.23Å; M227-L231 HydrophobicContact CG-CD1 4.33Å; M227-L231 WeakPolarHBondContact O-CG 3.48Å; M227-L231 PolarHBondContact O-N 2.93Å
228A69.1Low70.4Confident39 Ų3981.4 Ų81.432%0.32246%0.455SS..Hα-helixtrans-62.4-42.2175.400000111.7F224 I225 L231 M232F224-A228 VanDerWaalsContact O-CB 3.32Å; F224-A228 WeakPolarHBondContact O-CB 3.28Å; F224-A228 PolarHBondContact O-N 2.73Å; I225-A228 PolarHBondContact O-N 3.08Å; A228-L231 PolarHBondContact O-N 2.9Å; A228-M232 PolarHBondContact O-N 2.87Å
229A71.3Confident70.7Confident41 Ų4186.9 Ų86.934%0.33948%0.48SS..Hα-helixtrans-63.6-40.5174.700000112.2I225 M232 Q233I225-A229 VanDerWaalsContact O-CB 3.24Å; I225-A229 WeakPolarHBondContact O-CB 3.41Å; I225-A229 PolarHBondContact O-N 2.84Å; A229-M232 PolarHBondContact O-N 2.75Å; A229-Q233 WeakPolarHBondContact O-CG 3.23Å; A229-Q233 PolarHBondContact O-N 3.33Å
230S74.4Confident70.8Confident77 Ų7786.9 Ų86.954%0.53848%0.481SS..Hα-helixtrans-66.4-37.2176.6-590000112.1S226 M227 Q233 N234S226-S230 WeakPolarHBondContact O-CB 3.49Å; S226-S230 PolarHBondContact O-N 3.21Å; S226-S230 PolarHBondContact O-OG 3.34Å; M227-S230 PolarHBondContact O-N 3.23Å; S230-Q233 PolarHBondContact O-N 3.42Å; S230-N234 PolarHBondContact O-N 2.78Å
231L68.7Low70.5Confident55 Ų5585.6 Ų85.629%0.28847%0.471SS..Hα-helixtrans-68.2-39.8173.6-76.5167.3000111.9M227 A228 Q233 N234 V237M227-L231 HydrophobicContact CG-CD1 4.33Å; M227-L231 WeakPolarHBondContact O-CG 3.48Å; M227-L231 PolarHBondContact O-N 2.93Å; A228-L231 PolarHBondContact O-N 2.9Å; L231-Q233 PolarHBondContact O-N 3.05Å; L231-N234 WeakPolarHBondContact O-CB 3.35Å; L231-N234 PolarHBondContact O-N 3.03Å; L231-V237 HydrophobicContact CD2-CG2 4.34Å; L231-V237 VanDerWaalsContact O-CB 3.3Å; L231-V237 WeakPolarHBondContact O-CB 3.45Å
232M68.8Low70.1Confident119 Ų11985.5 Ų85.559%0.58648%0.477SS*.Hα-helixtrans-67.1-24.6174.8-79.6-165.9168.700113.5A228 A229 N234 Q238A228-M232 PolarHBondContact O-N 2.87Å; A229-M232 PolarHBondContact O-N 2.75Å; M232-N234 VanDerWaalsContact C-N 3.26Å; M232-Q238 WeakPolarHBondContact O-CG 3.44Å; M232-Q238 PolarHBondContact O-NE2 3.37Å
233Q73.1Confident69.6Low152 Ų15282.6 Ų82.671%0.7147%0.465SS*.THydrogen-bonded Turntrans-80.7-7.1172.3-70.5176.432.500112.8A229 S230 L231 P235A229-Q233 WeakPolarHBondContact O-CG 3.23Å; A229-Q233 PolarHBondContact O-N 3.33Å; S230-Q233 PolarHBondContact O-N 3.42Å; L231-Q233 PolarHBondContact O-N 3.05Å; Q233-P235 WeakPolarHBondContact O-CD 3.44Å
234N77.4Confident68.8Low31 Ų3185.5 Ų85.517%0.16647%0.47CS..  trans-78.8121.9178.3-166.3-47.7000110.7S230 L231 M232 Q236 V237 Q238 Q275S230-N234 PolarHBondContact O-N 2.78Å; L231-N234 WeakPolarHBondContact O-CB 3.35Å; L231-N234 PolarHBondContact O-N 3.03Å; M232-N234 VanDerWaalsContact C-N 3.26Å; N234-Q236 PolarHBondContact O-N 3.46Å; N234-Q236 VanDerWaalsContact O-N 3.16Å; N234-Q236 WeakPolarHBondContact OD1-CB 3.46Å; N234-Q236 PolarHBondContact OD1-N 3.31Å; N234-V237 HydrophobicContact CB-CB 4.2Å; N234-V237 HydrophobicContact CB-CG2 3.9Å; N234-V237 PolarHBondContact O-N 3.24Å; N234-V237 VanDerWaalsContact O-N 3.12Å; N234-Q238 PolarHBondContact O-N 2.92Å; N234-Q275 PolarHBondContact ND2-NE2 3.16Å; N234-Q275 VanDerWaalsContact ND2-NE2 3.1Å
235P73.4Confident67.9Low85 Ų8587.1 Ų87.155%0.55248%0.48SS*.Hα-helixtrans-58.1-30.8-179.4-23.332.4000113.7Q233 Q239Q233-P235 WeakPolarHBondContact O-CD 3.44Å; P235-Q239 VanDerWaalsContact O-CG 3.31Å; P235-Q239 WeakPolarHBondContact O-CG 3.41Å; P235-Q239 PolarHBondContact O-N 2.93Å
236Q67.8Low66.8Low123 Ų12387.3 Ų87.358%0.57549%0.485SS*.Hα-helixtrans-72.9-37.8180-61.5177.1-4.300111.5N234 Q239 L240N234-Q236 PolarHBondContact O-N 3.46Å; N234-Q236 VanDerWaalsContact O-N 3.16Å; N234-Q236 WeakPolarHBondContact OD1-CB 3.46Å; N234-Q236 PolarHBondContact OD1-N 3.31Å; Q236-Q239 PolarHBondContact O-N 3.23Å; Q236-L240 WeakPolarHBondContact O-CB 3.13Å; Q236-L240 PolarHBondContact O-N 2.95Å
237V71.6Confident65.6Low50 Ų5091.6 Ų91.630%0.30350%0.503SS..Hα-helixtrans-70.2-37.7175.91780000110.3L231 N234 L240 M241L231-V237 HydrophobicContact CD2-CG2 4.34Å; L231-V237 VanDerWaalsContact O-CB 3.3Å; L231-V237 WeakPolarHBondContact O-CB 3.45Å; N234-V237 HydrophobicContact CB-CB 4.2Å; N234-V237 HydrophobicContact CB-CG2 3.9Å; N234-V237 PolarHBondContact O-N 3.24Å; N234-V237 VanDerWaalsContact O-N 3.12Å; V237-L240 PolarHBondContact O-N 3.36Å; V237-M241 WeakPolarHBondContact O-CB 3.39Å; V237-M241 PolarHBondContact O-N 3.28Å
238Q68.4Low64.2Low112 Ų11290.8 Ų90.852%0.52351%0.512SS..Hα-helixtrans-63.3-39.8172.8-70.4-179.60.500112.4M232 N234 S242M232-Q238 WeakPolarHBondContact O-CG 3.44Å; M232-Q238 PolarHBondContact O-NE2 3.37Å; N234-Q238 PolarHBondContact O-N 2.92Å; Q238-S242 WeakPolarHBondContact O-CB 3.22Å; Q238-S242 PolarHBondContact O-N 3.02Å
239Q68.1Low63Low144 Ų14495.2 Ų95.267%0.67353%0.529SS*.Hα-helixtrans-65.4-41.1174.8-77175-4.500112.1P235 Q236 S242 G243P235-Q239 VanDerWaalsContact O-CG 3.31Å; P235-Q239 WeakPolarHBondContact O-CG 3.41Å; P235-Q239 PolarHBondContact O-N 2.93Å; Q236-Q239 PolarHBondContact O-N 3.23Å; Q239-S242 PolarHBondContact O-N 3.14Å; Q239-G243 PolarHBondContact O-N 2.97Å
240L66.9Low61.5Low101 Ų10196.5 Ų96.553%0.52955%0.546SS..Hα-helixtrans-68.5-40.3179-160.8139.7000111.8Q236 V237 G243 M244Q236-L240 WeakPolarHBondContact O-CB 3.13Å; Q236-L240 PolarHBondContact O-N 2.95Å; V237-L240 PolarHBondContact O-N 3.36Å; L240-G243 PolarHBondContact O-N 2.92Å; L240-M244 HydrophobicContact CD2-CE 4.06Å; L240-M244 PolarHBondContact O-N 3.33Å; L240-M244 VanDerWaalsContact O-N 3.13Å
241M60.5Low59.6Low103 Ų10396 Ų9651%0.50755%0.554SS.*Hα-helixtrans-69.6-37.8175.7-162.4174.9-172.400112.1V237 M244 M245V237-M241 WeakPolarHBondContact O-CB 3.39Å; V237-M241 PolarHBondContact O-N 3.28Å; M241-M244 PolarHBondContact O-N 3.15Å; M241-M245 PolarHBondContact O-N 3.48Å
242S59.6Low58.5Low69 Ų6999.6 Ų99.648%0.48358%0.58SS.*Hα-helixtrans-62.4-45.8172.3-175.20000111.4Q238 Q239 M244 M245 T246Q238-S242 WeakPolarHBondContact O-CB 3.22Å; Q238-S242 PolarHBondContact O-N 3.02Å; Q239-S242 PolarHBondContact O-N 3.14Å; S242-M244 VanDerWaalsContact C-N 3.28Å; S242-M244 PolarHBondContact O-N 3.3Å; S242-M245 PolarHBondContact O-N 3.08Å; S242-T246 WeakPolarHBondContact O-CB 3.47Å; S242-T246 PolarHBondContact O-N 3.19Å; S242-T246 PolarHBondContact O-OG1 2.98Å
243G60Low57.3Low41 Ų4198.9 Ų98.942%0.42359%0.593SS.*Hα-helixtrans-60.3-35.8176.200000113.5Q239 L240 N247Q239-G243 PolarHBondContact O-N 2.97Å; L240-G243 PolarHBondContact O-N 2.92Å; G243-N247 PolarHBondContact O-N 3.47Å
244M54Low55.4Low121 Ų12196.7 Ų96.760%0.59660%0.601SS**Hα-helixtrans-73.6-41.4177-155.7-173.9-41.400112.6L240 M241 S242 T246 N247 A248L240-M244 HydrophobicContact CD2-CE 4.06Å; L240-M244 PolarHBondContact O-N 3.33Å; L240-M244 VanDerWaalsContact O-N 3.13Å; M241-M244 PolarHBondContact O-N 3.15Å; S242-M244 VanDerWaalsContact C-N 3.28Å; S242-M244 PolarHBondContact O-N 3.3Å; M244-T246 VanDerWaalsContact C-N 3.29Å; M244-T246 PolarHBondContact O-N 2.94Å; M244-N247 PolarHBondContact O-N 3.28Å; M244-A248 PolarHBondContact O-N 3.35Å; M244-A248 VanDerWaalsContact O-N 3.15Å
245M51.2Low53.2Low112 Ų11298.5 Ų98.555%0.55263%0.627SS**Hα-helixtrans-66.1-32.2173.9-79.2-119.9-75.700112.5M241 S242 N247 A248 I249M241-M245 PolarHBondContact O-N 3.48Å; S242-M245 PolarHBondContact O-N 3.08Å; M245-N247 VanDerWaalsContact C-N 3.31Å; M245-N247 PolarHBondContact O-N 2.96Å; M245-A248 PolarHBondContact O-N 3.4Å; M245-I249 WeakPolarHBondContact O-CG1 3.35Å; M245-I249 PolarHBondContact O-N 3.44Å; M245-I249 VanDerWaalsContact O-N 3.12Å; M245-I249 HydrophobicContact SD-CD1 4.09Å
246T51.3Low51.6Low96 Ų96102.3 Ų102.359%0.58965%0.648SS**Hα-helixtrans-67.5-33.7176.9-43.80000111.4S242 M244S242-T246 WeakPolarHBondContact O-CB 3.47Å; S242-T246 PolarHBondContact O-N 3.19Å; S242-T246 PolarHBondContact O-OG1 2.98Å; M244-T246 VanDerWaalsContact C-N 3.29Å; M244-T246 PolarHBondContact O-N 2.94Å
247N48.2Very low50.2Low154 Ų154100 Ų10082%0.82466%0.657SS**Hα-helixtrans-78.8-18.5172.6-89.67.1000114.1G243 M244 M245G243-N247 PolarHBondContact O-N 3.47Å; M244-N247 PolarHBondContact O-N 3.28Å; M245-N247 VanDerWaalsContact C-N 3.31Å; M245-N247 PolarHBondContact O-N 2.96Å
248A44.2Very low48.6Very low81 Ų81100.9 Ų100.967%0.66968%0.676SS**Hα-helixtrans-93.2-19.7-178.400000114.2M244 M245M244-A248 PolarHBondContact O-N 3.35Å; M244-A248 VanDerWaalsContact O-N 3.15Å; M245-A248 PolarHBondContact O-N 3.4Å
249I43.9Very low47.3Very low132 Ų132103.8 Ų103.868%0.67770%0.695SS**SBendtrans-107.5-0.9-172.1-61.1176.8000112.4M245 G251M245-I249 WeakPolarHBondContact O-CG1 3.35Å; M245-I249 PolarHBondContact O-N 3.44Å; M245-I249 VanDerWaalsContact O-N 3.12Å; M245-I249 HydrophobicContact SD-CD1 4.09Å; I249-G251 PolarHBondContact O-N 3.48Å
250G40.3Very low46.3Very low68 Ų68103 Ų10370%0.70170%0.7SS**SBendtrans-9761.6-177.500000117
251G34.5Very low45.5Very low68 Ų68103.3 Ų103.370%0.70170%0.702SS**  trans82.1164.1156.100000118.8I249I249-G251 PolarHBondContact O-N 3.48Å
252P44.6Very low44.9Very low129 Ų129104.3 Ų104.384%0.83871%0.709SS**  -100.1151.2-12936.3-34000115.9
253A44.2Very low44.5Very low105 Ų105104.2 Ų104.287%0.86871%0.708SS**  trans60.186.7155.400000117.7
254A32.8Very low44.3Very low106 Ų106105.4 Ų105.488%0.87671%0.71SS**  trans-155.8139.8143.700000109.3
255G31.9Very low44.4Very low69 Ų69105.5 Ų105.571%0.71171%0.712SS**  trans-66.1166-167.900000115.6G257G255-G257 PolarHBondContact O-N 3.17Å; G255-G257 VanDerWaalsContact O-N 3.09Å
256V40.4Very low45.2Very low165 Ų165104.4 Ų104.4100%171%0.708SS**SBendtrans8.489.6150.8-170.20000113.9
257G38Very low46Very low74 Ų74105.6 Ų105.676%0.76371%0.706SS**  trans-175.561.5-178.500000112.6G255G255-G257 PolarHBondContact O-N 3.17Å; G255-G257 VanDerWaalsContact O-N 3.09Å
258G37.4Very low46.6Very low68 Ų68100.2 Ų100.270%0.70168%0.683SS**  trans-157.640.7-178.100000114
259L40.5Very low47.5Very low174 Ų17498.2 Ų98.291%0.91167%0.671SS**  trans-120.341.8167-78.2175.2000110.2
260T48.4Very low48.8Very low126 Ų12697.7 Ų97.777%0.77367%0.665SS**  trans-112.94-169.831.30000116.6
261D49Very low50.1Low109 Ų10999.4 Ų99.458%0.58366%0.655SS**  trans-112.873.2170.4-98.7-32.2000112.1S263 S264 L265D261-S263 PolarHBondContact O-N 3.39Å; D261-S263 PolarHBondContact OD1-OG 2.75Å; D261-S264 WeakPolarHBondContact CB-OG 3.43Å; D261-S264 PolarHBondContact O-N 3.04Å; D261-S264 PolarHBondContact O-OG 3.37Å; D261-L265 PolarHBondContact O-N 3.43Å
262L48.3Very low51.8Low124 Ų124101.6 Ų101.665%0.64965%0.645SS**Hα-helixtrans-53.1-31.5167.4-178.563.1000111.7L265 I266L262-L265 PolarHBondContact O-N 3Å; L262-I266 HydrophobicContact CD1-CD1 4.33Å; L262-I266 HydrophobicContact CD1-CG1 4.47Å; L262-I266 HydrophobicContact CG-CD1 3.88Å; L262-I266 HydrophobicContact CG-CG1 4.46Å; L262-I266 WeakPolarHBondContact O-CB 3.33Å; L262-I266 WeakPolarHBondContact O-CD1 3.34Å; L262-I266 WeakPolarHBondContact O-CG1 3.37Å; L262-I266 PolarHBondContact O-N 3.47Å
263S51Low52.7Low67 Ų6797.7 Ų97.747%0.46962%0.624SS.*Hα-helixtrans-59.4-48172.851.30000112.5D261 L265 I266 Q267D261-S263 PolarHBondContact O-N 3.39Å; D261-S263 PolarHBondContact OD1-OG 2.75Å; S263-L265 VanDerWaalsContact C-N 3.31Å; S263-L265 PolarHBondContact O-N 3.36Å; S263-I266 PolarHBondContact O-N 3.01Å; S263-Q267 WeakPolarHBondContact O-CB 3.4Å; S263-Q267 PolarHBondContact O-N 3.36Å
264S56.8Low54Low65 Ų6598.6 Ų98.646%0.45561%0.61SS.*Hα-helixtrans-66.2-35.4178.373.70000111.9D261 Q267 A268D261-S264 WeakPolarHBondContact CB-OG 3.43Å; D261-S264 PolarHBondContact O-N 3.04Å; D261-S264 PolarHBondContact O-OG 3.37Å; S264-Q267 PolarHBondContact O-N 2.99Å; S264-A268 VanDerWaalsContact O-CB 3.31Å; S264-A268 WeakPolarHBondContact O-CB 3.35Å; S264-A268 PolarHBondContact O-N 2.94Å
265L56.2Low55.6Low123 Ų12395.6 Ų95.664%0.64458%0.578SS**Hα-helixtrans-73-38.9178.7-156.8127.7000111.7D261 L262 S263 G269D261-L265 PolarHBondContact O-N 3.43Å; L262-L265 PolarHBondContact O-N 3Å; S263-L265 VanDerWaalsContact C-N 3.31Å; S263-L265 PolarHBondContact O-N 3.36Å; L265-G269 PolarHBondContact O-N 3.04Å
266I67.4Low57.2Low90 Ų9094 Ų9446%0.46255%0.553SS.*Hα-helixtrans-63.7-43.8171.9-72.5166.5000110.6L262 S263 G269 Q270L262-I266 HydrophobicContact CD1-CD1 4.33Å; L262-I266 HydrophobicContact CD1-CG1 4.47Å; L262-I266 HydrophobicContact CG-CD1 3.88Å; L262-I266 HydrophobicContact CG-CG1 4.46Å; L262-I266 WeakPolarHBondContact O-CB 3.33Å; L262-I266 WeakPolarHBondContact O-CD1 3.34Å; L262-I266 WeakPolarHBondContact O-CG1 3.37Å; L262-I266 PolarHBondContact O-N 3.47Å; S263-I266 PolarHBondContact O-N 3.01Å; I266-G269 PolarHBondContact O-N 3.29Å; I266-Q270 WeakPolarHBondContact O-CG 3.36Å; I266-Q270 PolarHBondContact O-N 2.8Å
267Q67.4Low58.5Low120 Ų12091.9 Ų91.956%0.56153%0.532SS*.Hα-helixtrans-67.5-42-179.3-169.1166.56.100111.9S263 S264 G269 Q270 Q271S263-Q267 WeakPolarHBondContact O-CB 3.4Å; S263-Q267 PolarHBondContact O-N 3.36Å; S264-Q267 PolarHBondContact O-N 2.99Å; Q267-G269 VanDerWaalsContact C-N 3.35Å; Q267-Q270 PolarHBondContact O-N 3.34Å; Q267-Q271 WeakPolarHBondContact O-CG 3.37Å; Q267-Q271 PolarHBondContact O-N 3.21Å
268A60.4Low60Low41 Ų4196.2 Ų96.234%0.33953%0.533SS..Hα-helixtrans-62.3-42.1172.300000111.6S264 Q270 Q271 F272S264-A268 VanDerWaalsContact O-CB 3.31Å; S264-A268 WeakPolarHBondContact O-CB 3.35Å; S264-A268 PolarHBondContact O-N 2.94Å; A268-Q270 VanDerWaalsContact C-N 3.35Å; A268-Q270 PolarHBondContact O-N 3.06Å; A268-Q271 PolarHBondContact O-N 3Å; A268-F272 VanDerWaalsContact O-CB 3.31Å; A268-F272 WeakPolarHBondContact O-CB 3.49Å; A268-F272 PolarHBondContact O-N 3.43Å
269G64.4Low61.4Low39 Ų3999.7 Ų99.740%0.40253%0.531SS..Hα-helixtrans-61.1-39.9174.900000113.2L265 I266 Q267 A273L265-G269 PolarHBondContact O-N 3.04Å; I266-G269 PolarHBondContact O-N 3.29Å; Q267-G269 VanDerWaalsContact C-N 3.35Å; G269-A273 WeakPolarHBondContact O-CB 3.4Å; G269-A273 PolarHBondContact O-N 2.95Å
270Q70Confident62.4Low121 Ų12195 Ų9557%0.56551%0.507SS*.Hα-helixtrans-67.5-43176.2-77.6-179.1-12.600112.7I266 Q267 A268 A273 Q274I266-Q270 WeakPolarHBondContact O-CG 3.36Å; I266-Q270 PolarHBondContact O-N 2.8Å; Q267-Q270 PolarHBondContact O-N 3.34Å; A268-Q270 VanDerWaalsContact C-N 3.35Å; A268-Q270 PolarHBondContact O-N 3.06Å; Q270-A273 PolarHBondContact O-N 2.88Å; Q270-Q274 WeakPolarHBondContact O-CG 3.41Å; Q270-Q274 PolarHBondContact O-N 3.24Å
271Q68.5Low63.5Low104 Ų10492.9 Ų92.949%0.48650%0.495SS..Hα-helixtrans-65.2-41.2176.5-73-172.7-43.900111.8Q267 A268 Q274 Q275Q267-Q271 WeakPolarHBondContact O-CG 3.37Å; Q267-Q271 PolarHBondContact O-N 3.21Å; A268-Q271 PolarHBondContact O-N 3Å; Q271-Q274 PolarHBondContact O-N 3.48Å; Q271-Q275 PolarHBondContact O-N 3.46Å
272F70Confident64.6Low114 Ų11494.1 Ų94.150%0.550%0.497SS..Hα-helixtrans-62.1-44.6175.7-175.4-109.4000111.9A268 Q274 Q275 I276A268-F272 VanDerWaalsContact O-CB 3.31Å; A268-F272 WeakPolarHBondContact O-CB 3.49Å; A268-F272 PolarHBondContact O-N 3.43Å; F272-Q274 VanDerWaalsContact C-N 3.34Å; F272-Q274 PolarHBondContact O-N 3.27Å; F272-Q275 PolarHBondContact O-N 3.42Å; F272-I276 HydrophobicContact CD1-CD1 3.81Å; F272-I276 HydrophobicContact CE1-CD1 3.24Å; F272-I276 HydrophobicContact CE1-CG1 4.25Å; F272-I276 HydrophobicContact CE2-CD1 4.16Å; F272-I276 HydrophobicContact CE2-CG1 4.46Å; F272-I276 HydrophobicContact CG-CD1 4.48Å; F272-I276 HydrophobicContact CZ-CD1 3.46Å; F272-I276 VanDerWaalsContact CZ-CD1 3.46Å; F272-I276 HydrophobicContact CZ-CG1 4.23Å; F272-I276 WeakPolarHBondContact O-CG1 3.41Å; F272-I276 PolarHBondContact O-N 2.88Å
273A63.7Low65.4Low47 Ų4791.1 Ų91.139%0.38848%0.482SS..Hα-helixtrans-60.7-41.717600000112.4G269 Q270 Q277G269-A273 WeakPolarHBondContact O-CB 3.4Å; G269-A273 PolarHBondContact O-N 2.95Å; Q270-A273 PolarHBondContact O-N 2.88Å; A273-Q277 WeakPolarHBondContact O-CB 3.37Å; A273-Q277 PolarHBondContact O-N 3.42Å
274Q70.6Confident66.2Low124 Ų12489.9 Ų89.958%0.57947%0.469SS*.Hα-helixtrans-64.3-39.7176.6-74.9179.6-4.500112.3Q270 Q271 F272 Q277 Q278Q270-Q274 WeakPolarHBondContact O-CG 3.41Å; Q270-Q274 PolarHBondContact O-N 3.24Å; Q271-Q274 PolarHBondContact O-N 3.48Å; F272-Q274 VanDerWaalsContact C-N 3.34Å; F272-Q274 PolarHBondContact O-N 3.27Å; Q274-Q277 PolarHBondContact O-N 3.08Å; Q274-Q278 PolarHBondContact O-N 3.14Å
275Q68.1Low66.8Low43 Ų4392.1 Ų92.120%0.20147%0.472CS..Hα-helixtrans-70.8-40.5179.9-169.3168-200112.2N234 Q271 F272 Q277 Q278 Q279N234-Q275 PolarHBondContact ND2-NE2 3.16Å; N234-Q275 VanDerWaalsContact ND2-NE2 3.1Å; Q271-Q275 PolarHBondContact O-N 3.46Å; F272-Q275 PolarHBondContact O-N 3.42Å; Q275-Q277 VanDerWaalsContact C-N 3.29Å; Q275-Q277 PolarHBondContact O-N 3.32Å; Q275-Q278 PolarHBondContact O-N 3.36Å; Q275-Q279 PolarHBondContact O-N 2.8Å
276I65.1Low67.2Low36 Ų3692.1 Ų92.119%0.18547%0.469CS..Hα-helixtrans-61-41.5172-70.8-176.8000110.5F272 Q278 Q279 N280 L283 I284F272-I276 HydrophobicContact CD1-CD1 3.81Å; F272-I276 HydrophobicContact CE1-CD1 3.24Å; F272-I276 HydrophobicContact CE1-CG1 4.25Å; F272-I276 HydrophobicContact CE2-CD1 4.16Å; F272-I276 HydrophobicContact CE2-CG1 4.46Å; F272-I276 HydrophobicContact CG-CD1 4.48Å; F272-I276 HydrophobicContact CZ-CD1 3.46Å; F272-I276 VanDerWaalsContact CZ-CD1 3.46Å; F272-I276 HydrophobicContact CZ-CG1 4.23Å; F272-I276 WeakPolarHBondContact O-CG1 3.41Å; F272-I276 PolarHBondContact O-N 2.88Å; I276-Q278 PolarHBondContact O-N 3.38Å; I276-Q279 PolarHBondContact O-N 2.91Å; I276-N280 CarbonylContact O-C 3.54Å; I276-N280 PolarHBondContact O-N 3.03Å; I276-L283 HydrophobicContact CG2-CD2 4.11Å; I276-I284 HydrophobicContact CB-CD1 4.4Å; I276-I284 HydrophobicContact CG2-CD1 3.8Å; I276-I284 HydrophobicContact CG2-CG1 3.64Å
277Q68Low67.1Low121 Ų12192.4 Ų92.457%0.56547%0.471SS*.Hα-helixtrans-63.1-31.1179.7-167.9171.98.800112.9A273 Q274 Q275 I284A273-Q277 WeakPolarHBondContact O-CB 3.37Å; A273-Q277 PolarHBondContact O-N 3.42Å; Q274-Q277 PolarHBondContact O-N 3.08Å; Q275-Q277 VanDerWaalsContact C-N 3.29Å; Q275-Q277 PolarHBondContact O-N 3.32Å; Q277-I284 HydrophobicContact CB-CD1 4.24Å
278Q69.2Low67.2Low164 Ų16493.2 Ų93.277%0.76647%0.469SS*.Hα-helixtrans-81.7-38.5176.9-71.6-179.52.700113.3Q274 Q275 I276Q274-Q278 PolarHBondContact O-N 3.14Å; Q275-Q278 PolarHBondContact O-N 3.36Å; I276-Q278 PolarHBondContact O-N 3.38Å
279Q65.6Low67.6Low142 Ų14295.4 Ų95.466%0.66448%0.475SS*.Hα-helixtrans-92.4-26.4-172.9-66.8-167.6-1300113.7Q275 I276Q275-Q279 PolarHBondContact O-N 2.8Å; I276-Q279 PolarHBondContact O-N 2.91Å
280N62.6Low67.5Low76 Ų7699.1 Ų99.141%0.40648%0.482SS..  trans-150.774-175.3-126.5-16.2000112.1I276 E282 L283I276-N280 CarbonylContact O-C 3.54Å; I276-N280 PolarHBondContact O-N 3.03Å; N280-E282 VanDerWaalsContact C-N 3.27Å; N280-E282 PolarHBondContact O-N 3.25Å; N280-L283 HydrophobicContact CB-CB 4.19Å; N280-L283 WeakPolarHBondContact O-CB 3.42Å; N280-L283 PolarHBondContact O-N 3.45Å
281P71.5Confident67.2Low80 Ų8098.9 Ų98.952%0.51948%0.483SS..Hα-helixtrans-64.3-29.7-176.925-33.3000113.1L283 I284 E285P281-L283 VanDerWaalsContact C-N 3.31Å; P281-L283 PolarHBondContact O-N 3.29Å; P281-I284 PolarHBondContact O-N 2.6Å; P281-E285 PolarHBondContact O-N 3.25Å
282E72.2Confident66.8Low135 Ų135101.9 Ų101.963%0.63149%0.49SS*.Hα-helixtrans-64.6-34.2176.6-66.9-170172.100112.5N280 I284 E285 Q286N280-E282 VanDerWaalsContact C-N 3.27Å; N280-E282 PolarHBondContact O-N 3.25Å; E282-I284 VanDerWaalsContact C-N 3.33Å; E282-I284 PolarHBondContact O-N 3.03Å; E282-E285 PolarHBondContact O-N 3.16Å; E282-Q286 WeakPolarHBondContact O-CB 3.42Å; E282-Q286 VanDerWaalsContact O-CG 3.3Å; E282-Q286 WeakPolarHBondContact O-CG 3.37Å; E282-Q286 PolarHBondContact O-N 2.96Å
283L65.4Low66.3Low62 Ų6299.8 Ų99.833%0.32549%0.489SS..Hα-helixtrans-65.6-38178.3-169.874.8000111.3I276 N280 P281 L287I276-L283 HydrophobicContact CG2-CD2 4.11Å; N280-L283 HydrophobicContact CB-CB 4.19Å; N280-L283 WeakPolarHBondContact O-CB 3.42Å; N280-L283 PolarHBondContact O-N 3.45Å; P281-L283 VanDerWaalsContact C-N 3.31Å; P281-L283 PolarHBondContact O-N 3.29Å; L283-L287 HydrophobicContact CG-CD1 4.37Å; L283-L287 WeakPolarHBondContact O-CB 3.47Å; L283-L287 WeakPolarHBondContact O-CG 3.25Å; L283-L287 PolarHBondContact O-N 3.42Å
284I67.3Low65.7Low40 Ų40104.4 Ų104.421%0.20550%0.497CS..Hα-helixtrans-67.3-39.6176.1-64.5-108000110.3I276 Q277 P281 E282 L287 R288I276-I284 HydrophobicContact CB-CD1 4.4Å; I276-I284 HydrophobicContact CG2-CD1 3.8Å; I276-I284 HydrophobicContact CG2-CG1 3.64Å; Q277-I284 HydrophobicContact CB-CD1 4.24Å; P281-I284 PolarHBondContact O-N 2.6Å; E282-I284 VanDerWaalsContact C-N 3.33Å; E282-I284 PolarHBondContact O-N 3.03Å; I284-L287 PolarHBondContact O-N 3.28Å; I284-R288 VanDerWaalsContact O-CB 3.25Å; I284-R288 WeakPolarHBondContact O-CB 3.13Å; I284-R288 PolarHBondContact O-N 3.5Å
285E68.4Low64.7Low113 Ų113101.9 Ų101.953%0.52849%0.493SS..Hα-helixtrans-70-38.7179.1-161.6164.2-156.400111.6P281 E282 R288 N289P281-E285 PolarHBondContact O-N 3.25Å; E282-E285 PolarHBondContact O-N 3.16Å; E285-R288 PolarHBondContact O-N 3.38Å; E285-N289 WeakPolarHBondContact O-CB 3.48Å; E285-N289 PolarHBondContact O-N 3.27Å; E285-N289 PolarHBondContact O-ND2 3.13Å
286Q65.6Low63.8Low122 Ų122107.9 Ų107.957%0.5752%0.519SS*.Hα-helixtrans-61.8-48170.9-73.9176.81.500111.8E282 R288 N289 H290E282-Q286 WeakPolarHBondContact O-CB 3.42Å; E282-Q286 VanDerWaalsContact O-CG 3.3Å; E282-Q286 WeakPolarHBondContact O-CG 3.37Å; E282-Q286 PolarHBondContact O-N 2.96Å; Q286-R288 PolarHBondContact O-N 3.09Å; Q286-N289 PolarHBondContact O-N 3.34Å; Q286-H290 WeakPolarHBondContact O-CB 3.33Å; Q286-H290 PolarHBondContact O-N 2.99Å
287L64.3Low62.7Low97 Ų97110.9 Ų110.951%0.50854%0.543SS..Hα-helixtrans-60.2-42.9175.6-81.7162000112.1L283 I284 H290 I291L283-L287 HydrophobicContact CG-CD1 4.37Å; L283-L287 WeakPolarHBondContact O-CB 3.47Å; L283-L287 WeakPolarHBondContact O-CG 3.25Å; L283-L287 PolarHBondContact O-N 3.42Å; I284-L287 PolarHBondContact O-N 3.28Å; L287-H290 PolarHBondContact O-N 3.42Å; L287-I291 WeakPolarHBondContact O-CG1 3.25Å; L287-I291 PolarHBondContact O-N 3.06Å
288R69.6Low61.6Low136 Ų136110 Ų11051%0.51355%0.55SS.*Hα-helixtrans-64.8-42.4177.9-175.2-177.1-69.8155.4-2111.9I284 E285 Q286 H290 I291 R292I284-R288 VanDerWaalsContact O-CB 3.25Å; I284-R288 WeakPolarHBondContact O-CB 3.13Å; I284-R288 PolarHBondContact O-N 3.5Å; E285-R288 PolarHBondContact O-N 3.38Å; Q286-R288 PolarHBondContact O-N 3.09Å; R288-H290 VanDerWaalsContact C-N 3.31Å; R288-I291 PolarHBondContact O-N 3.33Å; R288-R292 PolarHBondContact O-N 3.08Å
289N69.6Low60.3Low88 Ų88106.9 Ų106.947%0.47155%0.546SS..Hα-helixtrans-66.9-34.9176-72.5-19.7000111.5E285 Q286 R292 S293E285-N289 WeakPolarHBondContact O-CB 3.48Å; E285-N289 PolarHBondContact O-N 3.27Å; E285-N289 PolarHBondContact O-ND2 3.13Å; Q286-N289 PolarHBondContact O-N 3.34Å; N289-R292 PolarHBondContact O-N 3.08Å; N289-S293 WeakPolarHBondContact O-CB 3.23Å; N289-S293 PolarHBondContact O-N 2.79Å; N289-S293 PolarHBondContact O-OG 2.95Å
290H61.9Low59.2Low117 Ų117104.1 Ų104.154%0.54255%0.548SS..Hα-helixtrans-69.2-35.5176.6-139.663.9000113.3Q286 L287 R288 S293 R294Q286-H290 WeakPolarHBondContact O-CB 3.33Å; Q286-H290 PolarHBondContact O-N 2.99Å; L287-H290 PolarHBondContact O-N 3.42Å; R288-H290 VanDerWaalsContact C-N 3.31Å; H290-S293 PolarHBondContact O-OG 2.99Å; H290-S293 VanDerWaalsContact O-OG 3.05Å; H290-R294 PolarHBondContact O-N 3.07Å
291I63.3Low58.2Low115 Ų115109.9 Ų109.959%0.5957%0.572SS**Hα-helixtrans-71.6-40.8174.2-66.5166.7000110.5L287 R288 R294 S295L287-I291 WeakPolarHBondContact O-CG1 3.25Å; L287-I291 PolarHBondContact O-N 3.06Å; R288-I291 PolarHBondContact O-N 3.33Å; I291-R294 PolarHBondContact O-N 3.43Å; I291-S295 PolarHBondContact O-N 3.46Å; I291-S295 PolarHBondContact O-OG 2.94Å
292R60.8Low56.9Low168 Ų168114.5 Ų114.563%0.63459%0.587SS**Hα-helixtrans-65.4-40.2175.7-92.3-175.6178.2166.5-1.4113.2R288 N289 R294 S295R288-R292 PolarHBondContact O-N 3.08Å; N289-R292 PolarHBondContact O-N 3.08Å; R292-R294 VanDerWaalsContact C-N 3.31Å; R292-R294 PolarHBondContact O-N 2.85Å; R292-S295 WeakPolarHBondContact O-CB 3.27Å; R292-S295 PolarHBondContact O-N 3.41Å
293S59.1Low55.4Low69 Ų69117 Ų11748%0.48360%0.598SS.*Hα-helixtrans-66.9-32.3177.961.70000112.4N289 H290 S297N289-S293 WeakPolarHBondContact O-CB 3.23Å; N289-S293 PolarHBondContact O-N 2.79Å; N289-S293 PolarHBondContact O-OG 2.95Å; H290-S293 PolarHBondContact O-OG 2.99Å; H290-S293 VanDerWaalsContact O-OG 3.05Å; S293-S297 PolarHBondContact O-N 3.18Å
294R51.5Low54Low144 Ų144123.7 Ų123.754%0.54365%0.65SS.*Hα-helixtrans-69.8-29.2171.3-79.6-170.2177.6-168.62.5114H290 I291 R292 F296H290-R294 PolarHBondContact O-N 3.07Å; I291-R294 PolarHBondContact O-N 3.43Å; R292-R294 VanDerWaalsContact C-N 3.31Å; R292-R294 PolarHBondContact O-N 2.85Å; R294-F296 VanDerWaalsContact C-N 3.27Å; R294-F296 PolarHBondContact O-N 2.97Å
295S50Low53.3Low72 Ų72127.9 Ų127.950%0.50367%0.673SS.*Hα-helixtrans-70.5-22.7-180-49.10000113.1I291 R292I291-S295 PolarHBondContact O-N 3.46Å; I291-S295 PolarHBondContact O-OG 2.94Å; R292-S295 WeakPolarHBondContact O-CB 3.27Å; R292-S295 PolarHBondContact O-N 3.41Å
296F48.2Very low52.5Low169 Ų169128.7 Ų128.774%0.74168%0.68SS**Hα-helixtrans-98.2-18.8179.3-90.9-87.5000113.9R294 S298R294-F296 VanDerWaalsContact C-N 3.27Å; R294-F296 PolarHBondContact O-N 2.97Å; F296-S298 VanDerWaalsContact C-N 3.33Å
297S43.8Very low51.8Low99 Ų99129.1 Ų129.169%0.69269%0.686SS**THydrogen-bonded Turntrans-80-10.5179.4-170.90000113.9S293S293-S297 PolarHBondContact O-N 3.18Å
298S43.1Very low51.1Low103 Ų103130.9 Ų130.972%0.7270%0.697SS**THydrogen-bonded Turntrans-95.811.1178.381.90000113.9F296F296-S298 VanDerWaalsContact C-N 3.33Å
299S43.2Very low49.9Very low97 Ų97130.6 Ų130.668%0.67871%0.708SS**SBendtrans-124.19.7-174.2-46.90000114.3
300A42.5Very low48.6Very low85 Ų85133.5 Ų133.570%0.70272%0.724SS**SBendtrans-126.314.6-173.200000115.2
301E41.6Very low47.7Very low196 Ų196134.6 Ų134.692%0.91674%0.737SS**  trans-127.749.4171.8-70.6-170.6159.900111.3
302E43.9Very low46.5Very low178 Ų178136.2 Ų136.283%0.83275%0.749SS**SBendtrans-130.1120.5154.1-93.9-175.9157.400107.3
303H40Very low45.3Very low187 Ų187133.5 Ų133.587%0.86676%0.758SS**  trans88.980.3-176.3-56.4-57.8000117.9
304S36.3Very low44Very low203 Ų203139.4 Ų139.4100%1.4278%0.783SS**  -164.30112.5-78.30000111

Retrieved 304 of 304 residues in 83.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).