A0A5K4F7D2_SCHMA Loading...

Complex1_LYR_dom domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7D2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 66 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
1M60.6Low85.2Confident203 Ų20393.3 Ų93.3100%144%0.438SS*.  0128.60-66-175.1136.800108.5D46M1-D46 VanDerWaalsContact CE-OD2 3.31Å; M1-D46 WeakPolarHBondContact CE-OD2 3.5Å
2T72.1Confident86Confident31 Ų3197.4 Ų97.419%0.1945%0.453CS..  trans-76.6124.5175.2-55.90000109.2E6 I7 Y53T2-E6 HydrophobicContact CG2-CB 3.98Å; T2-I7 HydrophobicContact CG2-CD1 4.23Å; T2-I7 HydrophobicContact CG2-CG1 3.66Å; T2-Y53 HydrophobicContact CG2-CD1 3.82Å; T2-Y53 HydrophobicContact CG2-CD2 3.55Å; T2-Y53 HydrophobicContact CG2-CE1 4.02Å; T2-Y53 HydrophobicContact CG2-CE2 3.8Å; T2-Y53 HydrophobicContact CG2-CG 3.57Å
3S83.8Confident86.7Confident63 Ų6396.1 Ų96.144%0.44145%0.451SS..  trans-71145.2178.1-177.50000111R5 E6 I7S3-R5 PolarHBondContact O-N 3.41Å; S3-R5 PolarHBondContact OG-N 3.03Å; S3-E6 PolarHBondContact N-OE2 3Å; S3-E6 WeakPolarHBondContact O-CA 3.33Å; S3-E6 WeakPolarHBondContact O-CB 2.77Å; S3-E6 PolarHBondContact O-N 2.9Å; S3-I7 PolarHBondContact O-N 3.26Å; S3-I7 VanDerWaalsContact O-N 3.11Å
4R83.8Confident87.2Confident187 Ų18789.6 Ų89.671%0.70642%0.421SS*.Hα-helixtrans-49.9-34.4169.9-177176.6-179.6145-3.6112.4I7 L8R4-I7 PolarHBondContact O-N 2.9Å; R4-L8 HydrophobicContact CG-CD1 4.22Å; R4-L8 VanDerWaalsContact O-CG 3.3Å; R4-L8 WeakPolarHBondContact O-CG 3.3Å; R4-L8 PolarHBondContact O-N 3.17Å
5R88.8Confident87.6Confident201 Ų20185.8 Ų85.876%0.75840%0.404SS*.Hα-helixtrans-64.9-39.9176.8-175.8179.5175-175.5-1.4112.2S3 T9S3-R5 PolarHBondContact O-N 3.41Å; S3-R5 PolarHBondContact OG-N 3.03Å; R5-T9 WeakPolarHBondContact O-CB 3.47Å; R5-T9 PolarHBondContact O-N 3.35Å; R5-T9 PolarHBondContact O-OG1 2.86Å
6E89.1Confident88Confident80 Ų8085.2 Ų85.237%0.37441%0.408SS..Hα-helixtrans-67.2-43.4177.5-66.2176.9102.500110.6T2 S3 L8 T9 L10 Y53T2-E6 HydrophobicContact CG2-CB 3.98Å; S3-E6 PolarHBondContact N-OE2 3Å; S3-E6 WeakPolarHBondContact O-CA 3.33Å; S3-E6 WeakPolarHBondContact O-CB 2.77Å; S3-E6 PolarHBondContact O-N 2.9Å; E6-L8 PolarHBondContact O-N 3.45Å; E6-T9 WeakPolarHBondContact O-CB 3.34Å; E6-T9 PolarHBondContact O-N 2.85Å; E6-L10 WeakPolarHBondContact O-CB 3.41Å; E6-L10 PolarHBondContact O-N 3.47Å; E6-Y53 HydrophobicContact CB-CE2 3.89Å
7I88.3Confident88.2Confident42 Ų4281.9 Ų81.922%0.21539%0.391CS..Hα-helixtrans-59.5-46.5176.4-61.5172.2000110.8T2 S3 R4 T9 L10 Y11 F37 T49 Y53T2-I7 HydrophobicContact CG2-CD1 4.23Å; T2-I7 HydrophobicContact CG2-CG1 3.66Å; S3-I7 PolarHBondContact O-N 3.26Å; S3-I7 VanDerWaalsContact O-N 3.11Å; R4-I7 PolarHBondContact O-N 2.9Å; I7-T9 VanDerWaalsContact C-N 3.34Å; I7-T9 PolarHBondContact O-N 3.35Å; I7-L10 PolarHBondContact O-N 2.72Å; I7-Y11 PolarHBondContact O-N 2.88Å; I7-F37 HydrophobicContact CG2-CD1 4.09Å; I7-F37 HydrophobicContact CG2-CE1 3.64Å; I7-F37 WeakPolarHBondContact O-CE1 3.41Å; I7-T49 HydrophobicContact CD1-CG2 3.52Å; I7-Y53 HydrophobicContact CG1-CD2 4.34Å
8L90.4Very high88.4Confident88 Ų8877.4 Ų77.446%0.46137%0.369SS..Hα-helixtrans-67-35.3178-70175000112.5R4 E6 K12R4-L8 HydrophobicContact CG-CD1 4.22Å; R4-L8 VanDerWaalsContact O-CG 3.3Å; R4-L8 WeakPolarHBondContact O-CG 3.3Å; R4-L8 PolarHBondContact O-N 3.17Å; E6-L8 PolarHBondContact O-N 3.45Å; L8-K12 WeakPolarHBondContact O-CG 3.27Å; L8-K12 PolarHBondContact O-N 2.88Å; L8-K12 VanDerWaalsContact O-N 3.12Å
9T93.9Very high88.5Confident66 Ų6677 Ų7741%0.40537%0.37SS..Hα-helixtrans-64.8-45.5173.5-59.10000110.7R5 E6 I7 Y11 K12 N13R5-T9 WeakPolarHBondContact O-CB 3.47Å; R5-T9 PolarHBondContact O-N 3.35Å; R5-T9 PolarHBondContact O-OG1 2.86Å; E6-T9 WeakPolarHBondContact O-CB 3.34Å; E6-T9 PolarHBondContact O-N 2.85Å; I7-T9 VanDerWaalsContact C-N 3.34Å; I7-T9 PolarHBondContact O-N 3.35Å; T9-Y11 VanDerWaalsContact C-N 3.35Å; T9-Y11 PolarHBondContact O-N 3.29Å; T9-K12 PolarHBondContact O-N 2.96Å; T9-N13 VanDerWaalsContact O-CG 3.25Å; T9-N13 PolarHBondContact O-N 2.92Å
10L93.1Very high88.6Confident8 Ų879 Ų794%0.04238%0.382CS..Hα-helixtrans-59.1-45.4176.217561.9000111.6E6 I7 K12 N13 L14 F37 Y53 L60E6-L10 WeakPolarHBondContact O-CB 3.41Å; E6-L10 PolarHBondContact O-N 3.47Å; I7-L10 PolarHBondContact O-N 2.72Å; L10-K12 PolarHBondContact O-N 2.68Å; L10-N13 PolarHBondContact O-N 3.35Å; L10-L14 HydrophobicContact CD1-CD1 4.1Å; L10-L14 HydrophobicContact CD1-CG 4.13Å; L10-L14 HydrophobicContact CG-CD1 4.02Å; L10-L14 HydrophobicContact CG-CG 4.49Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 3.39Å; L10-F37 HydrophobicContact CD2-CZ 4.45Å; L10-F37 HydrophobicContact CG-CZ 4.35Å; L10-Y53 HydrophobicContact CB-CD2 4.28Å; L10-Y53 HydrophobicContact CB-CE2 3.98Å; L10-Y53 HydrophobicContact CD2-CD2 3.4Å; L10-Y53 VanDerWaalsContact CD2-CD2 3.4Å; L10-Y53 HydrophobicContact CD2-CE2 3.83Å; L10-Y53 HydrophobicContact CD2-CG 4.16Å; L10-Y53 WeakPolarHBondContact CD2-O 3.46Å; L10-Y53 HydrophobicContact CG-CD2 4.46Å; L10-Y53 HydrophobicContact CG-CE2 4.49Å; L10-L60 HydrophobicContact CD1-CD1 3.53Å; L10-L60 HydrophobicContact CD1-CG 4.39Å
11Y93.1Very high88.6Confident57 Ų5776.4 Ų76.422%0.22437%0.37CS..Hα-helixtrans-54.7-50.4175.1177.5-112.9000111.9I7 T9 N13 L14 L15 I33 Q34 F37I7-Y11 PolarHBondContact O-N 2.88Å; T9-Y11 VanDerWaalsContact C-N 3.35Å; T9-Y11 PolarHBondContact O-N 3.29Å; Y11-N13 VanDerWaalsContact C-N 3.34Å; Y11-N13 PolarHBondContact O-N 3.03Å; Y11-L14 PolarHBondContact O-N 3.46Å; Y11-L15 HydrophobicContact CD1-CD1 4.18Å; Y11-L15 HydrophobicContact CE1-CD1 3.56Å; Y11-L15 HydrophobicContact CE1-CG 4.45Å; Y11-L15 HydrophobicContact CE2-CD1 4.04Å; Y11-L15 HydrophobicContact CE2-CD2 4.42Å; Y11-L15 HydrophobicContact CE2-CG 4.2Å; Y11-L15 VanDerWaalsContact CZ-CD1 3.49Å; Y11-L15 WeakPolarHBondContact O-CG 3.29Å; Y11-L15 PolarHBondContact O-N 3.29Å; Y11-I33 HydrophobicContact CD2-CG2 3.84Å; Y11-I33 HydrophobicContact CE2-CG2 3.91Å; Y11-Q34 HydrophobicContact CE2-CG 4.25Å; Y11-Q34 WeakPolarHBondContact OH-CG 3.37Å; Y11-F37 HydrophobicContact CD2-CB 4.19Å; Y11-F37 AromaticContact CD2-CD1 3.9Å; Y11-F37 HydrophobicContact CD2-CD1 3.9Å; Y11-F37 AromaticContact CD2-CD2 3.73Å; Y11-F37 HydrophobicContact CD2-CD2 3.73Å; Y11-F37 HydrophobicContact CD2-CE1 4.18Å; Y11-F37 HydrophobicContact CD2-CE2 4Å; Y11-F37 AromaticContact CD2-CG 3.66Å; Y11-F37 HydrophobicContact CD2-CG 3.66Å; Y11-F37 HydrophobicContact CD2-CZ 4.22Å; Y11-F37 HydrophobicContact CE2-CB 4.38Å; Y11-F37 HydrophobicContact CE2-CD2 4.42Å; Y11-F37 HydrophobicContact CE2-CG 4.31Å; Y11-F37 HydrophobicContact CG-CD1 4.19Å; Y11-F37 HydrophobicContact CG-CE1 4.26Å; Y11-F37 HydrophobicContact CG-CG 4.4Å
12K95.3Very high89.7Confident143 Ų14375.5 Ų75.562%0.62236%0.361SS*.Hα-helixtrans-60-44.2177.3-71.5177.9-179.4-1760111.5L8 T9 L10 L14 L15 T16L8-K12 WeakPolarHBondContact O-CG 3.27Å; L8-K12 PolarHBondContact O-N 2.88Å; L8-K12 VanDerWaalsContact O-N 3.12Å; T9-K12 PolarHBondContact O-N 2.96Å; L10-K12 PolarHBondContact O-N 2.68Å; K12-L14 PolarHBondContact O-N 3.42Å; K12-L15 PolarHBondContact O-N 3.35Å; K12-T16 PolarHBondContact O-N 3.2Å; K12-T16 PolarHBondContact O-OG1 2.88Å; K12-T16 VanDerWaalsContact O-OG1 3.07Å
13N94.8Very high90.4Very high80 Ų8082.8 Ų82.843%0.42839%0.392SS..Hα-helixtrans-63.5-40.7179.8-70.3-12.6000112.2T9 L10 Y11 T16 Y17 L60T9-N13 VanDerWaalsContact O-CG 3.25Å; T9-N13 PolarHBondContact O-N 2.92Å; L10-N13 PolarHBondContact O-N 3.35Å; Y11-N13 VanDerWaalsContact C-N 3.34Å; Y11-N13 PolarHBondContact O-N 3.03Å; N13-T16 PolarHBondContact O-N 3.08Å; N13-Y17 WeakPolarHBondContact O-CB 2.81Å; N13-Y17 PolarHBondContact O-N 2.8Å; N13-L60 HydrophobicContact CB-CD1 3.5Å; N13-L60 HydrophobicContact CB-CD2 4.36Å
14L93.2Very high90.4Very high6 Ų682.3 Ų82.33%0.03139%0.389CS..Hα-helixtrans-64.1-43.3175.6-75.1168.7000111.7L10 Y11 K12 Y17 V18 I33 F37 I59 L60L10-L14 HydrophobicContact CD1-CD1 4.1Å; L10-L14 HydrophobicContact CD1-CG 4.13Å; L10-L14 HydrophobicContact CG-CD1 4.02Å; L10-L14 HydrophobicContact CG-CG 4.49Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 3.39Å; Y11-L14 PolarHBondContact O-N 3.46Å; K12-L14 PolarHBondContact O-N 3.42Å; L14-Y17 PolarHBondContact O-N 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.5Å; L14-V18 PolarHBondContact O-N 3.37Å; L14-I33 HydrophobicContact CB-CD1 3.96Å; L14-I33 HydrophobicContact CB-CG2 4.29Å; L14-I33 HydrophobicContact CD1-CG2 4.41Å; L14-F37 HydrophobicContact CD1-CE2 3.9Å; L14-F37 HydrophobicContact CD1-CZ 4.19Å; L14-I59 HydrophobicContact CD2-CB 4.17Å; L14-I59 HydrophobicContact CD2-CG2 3.81Å; L14-L60 HydrophobicContact CD2-CD1 4.47Å; L14-L60 HydrophobicContact CD2-CD2 3.89Å; L14-L60 HydrophobicContact CD2-CG 3.79Å; L14-L60 HydrophobicContact CG-CD1 4.4Å; L14-L60 HydrophobicContact CG-CD2 4.34Å; L14-L60 HydrophobicContact CG-CG 4.24Å
15L93.7Very high90.7Very high32 Ų3278.2 Ų78.217%0.16838%0.381CS..Hα-helixtrans-63.8-43.5176-69.4-176.5000112.3Y11 K12 Y17 V18 N19 K30 I33Y11-L15 HydrophobicContact CD1-CD1 4.18Å; Y11-L15 HydrophobicContact CE1-CD1 3.56Å; Y11-L15 HydrophobicContact CE1-CG 4.45Å; Y11-L15 HydrophobicContact CE2-CD1 4.04Å; Y11-L15 HydrophobicContact CE2-CD2 4.42Å; Y11-L15 HydrophobicContact CE2-CG 4.2Å; Y11-L15 VanDerWaalsContact CZ-CD1 3.49Å; Y11-L15 WeakPolarHBondContact O-CG 3.29Å; Y11-L15 PolarHBondContact O-N 3.29Å; K12-L15 PolarHBondContact O-N 3.35Å; L15-Y17 VanDerWaalsContact C-N 3.33Å; L15-Y17 PolarHBondContact O-N 2.91Å; L15-V18 PolarHBondContact O-N 3Å; L15-N19 WeakPolarHBondContact O-CB 3.37Å; L15-N19 VanDerWaalsContact O-CG 3.3Å; L15-N19 PolarHBondContact O-N 3.35Å; L15-N19 PolarHBondContact O-ND2 3.34Å; L15-K30 HydrophobicContact CD2-CG 4.2Å; L15-I33 HydrophobicContact CD2-CG2 4.39Å
16T94.1Very high90.8Very high76 Ų7672.4 Ų72.447%0.46636%0.361SS..Hα-helixtrans-60.7-44.3175-61.60000111K12 N13 N19 N20K12-T16 PolarHBondContact O-N 3.2Å; K12-T16 PolarHBondContact O-OG1 2.88Å; K12-T16 VanDerWaalsContact O-OG1 3.07Å; N13-T16 PolarHBondContact O-N 3.08Å; T16-N19 WeakPolarHBondContact O-CB 3.47Å; T16-N19 PolarHBondContact O-N 3.1Å; T16-N20 VanDerWaalsContact O-CG 3.29Å; T16-N20 PolarHBondContact O-N 2.85Å; T16-N20 PolarHBondContact O-ND2 3.34Å
17Y92.1Very high90.9Very high30 Ų3072.3 Ų72.312%0.11837%0.369CS..Hα-helixtrans-60-48176.1169-117.9000111.9N13 L14 L15 N19 N20 L21 I59 L60 K63 F65N13-Y17 WeakPolarHBondContact O-CB 2.81Å; N13-Y17 PolarHBondContact O-N 2.8Å; L14-Y17 PolarHBondContact O-N 3.31Å; L15-Y17 VanDerWaalsContact C-N 3.33Å; L15-Y17 PolarHBondContact O-N 2.91Å; Y17-N19 VanDerWaalsContact C-N 3.31Å; Y17-N19 PolarHBondContact O-N 3.09Å; Y17-N20 PolarHBondContact O-N 3.42Å; Y17-N20 VanDerWaalsContact O-N 3.08Å; Y17-L21 HydrophobicContact CE1-CD1 4.45Å; Y17-L21 HydrophobicContact CE2-CD2 3.82Å; Y17-L21 HydrophobicContact CE2-CG 4.45Å; Y17-L21 PolarHBondContact O-N 3.48Å; Y17-I59 HydrophobicContact CE1-CG2 4.24Å; Y17-L60 HydrophobicContact CD1-CD2 4.26Å; Y17-L60 HydrophobicContact CG-CD2 4.1Å; Y17-K63 HydrophobicContact CD2-CD 3.76Å; Y17-K63 HydrophobicContact CE2-CB 4.02Å; Y17-K63 HydrophobicContact CE2-CD 3.45Å; Y17-K63 VanDerWaalsContact CE2-CD 3.45Å; Y17-K63 HydrophobicContact CE2-CG 4.32Å; Y17-K63 WeakPolarHBondContact OH-CA 3.17Å; Y17-K63 PolarHBondContact OH-O 3.18Å; Y17-F65 AromaticContact CD1-CE2 3.92Å; Y17-F65 HydrophobicContact CD1-CE2 3.92Å; Y17-F65 HydrophobicContact CD1-CZ 4.19Å; Y17-F65 HydrophobicContact CE1-CD2 4.09Å; Y17-F65 AromaticContact CE1-CE2 3.41Å; Y17-F65 HydrophobicContact CE1-CE2 3.41Å; Y17-F65 VanDerWaalsContact CE1-CE2 3.41Å; Y17-F65 HydrophobicContact CE1-CZ 4.08Å
18V91.2Very high91Very high0 Ų076.7 Ų76.70%038%0.384CS..Hα-helixtrans-62.4-37.9177.7172.10000112.2L14 L15 N20 L21 K26 L29 K30 I33 F65L14-V18 WeakPolarHBondContact O-CG2 3.5Å; L14-V18 PolarHBondContact O-N 3.37Å; L15-V18 PolarHBondContact O-N 3Å; V18-N20 PolarHBondContact O-N 3.1Å; V18-L21 HydrophobicContact CG2-CD1 4.47Å; V18-L21 PolarHBondContact O-N 2.85Å; V18-K26 HydrophobicContact CG1-CB 4.12Å; V18-K26 WeakPolarHBondContact CG1-O 3.41Å; V18-L29 HydrophobicContact CG1-CB 3.71Å; V18-L29 HydrophobicContact CG1-CD1 4.43Å; V18-L29 HydrophobicContact CG2-CB 3.88Å; V18-L29 HydrophobicContact CG2-CD1 4.39Å; V18-K30 HydrophobicContact CG1-CG 3.8Å; V18-I33 HydrophobicContact CB-CD1 4.5Å; V18-I33 HydrophobicContact CG2-CD1 3.5Å; V18-I33 VanDerWaalsContact CG2-CD1 3.5Å; V18-F65 HydrophobicContact CG2-CE2 3.71Å; V18-F65 HydrophobicContact CG2-CZ 3.4Å; V18-F65 VanDerWaalsContact CG2-CZ 3.4Å
19N91Very high91Very high70 Ų7073.1 Ų73.137%0.37437%0.366SS..Hα-helixtrans-58.9-34.9175-79.5-30.7000112.4L15 T16 Y17 K26 K30L15-N19 WeakPolarHBondContact O-CB 3.37Å; L15-N19 VanDerWaalsContact O-CG 3.3Å; L15-N19 PolarHBondContact O-N 3.35Å; L15-N19 PolarHBondContact O-ND2 3.34Å; T16-N19 WeakPolarHBondContact O-CB 3.47Å; T16-N19 PolarHBondContact O-N 3.1Å; Y17-N19 VanDerWaalsContact C-N 3.31Å; Y17-N19 PolarHBondContact O-N 3.09Å; N19-K26 PolarHBondContact O-NZ 3.08Å; N19-K30 WeakPolarHBondContact OD1-CE 3.3Å; N19-K30 PolarHBondContact OD1-NZ 3.03Å
20N90.5Very high91Very high117 Ų11773.1 Ų73.163%0.62636%0.36SS*.THydrogen-bonded Turntrans-84.8-5.9-176.6-66.6-17.6000114.2T16 Y17 V18T16-N20 VanDerWaalsContact O-CG 3.29Å; T16-N20 PolarHBondContact O-N 2.85Å; T16-N20 PolarHBondContact O-ND2 3.34Å; Y17-N20 PolarHBondContact O-N 3.42Å; Y17-N20 VanDerWaalsContact O-N 3.08Å; V18-N20 PolarHBondContact O-N 3.1Å
21L88.1Confident91Very high25 Ų2579.4 Ų79.413%0.13139%0.387CS..  trans-66.5142.1175.5-68.1173.8000110.9Y17 V18 K26 L29 F65Y17-L21 HydrophobicContact CE1-CD1 4.45Å; Y17-L21 HydrophobicContact CE2-CD2 3.82Å; Y17-L21 HydrophobicContact CE2-CG 4.45Å; Y17-L21 PolarHBondContact O-N 3.48Å; V18-L21 HydrophobicContact CG2-CD1 4.47Å; V18-L21 PolarHBondContact O-N 2.85Å; L21-K26 WeakPolarHBondContact O-CE 3.33Å; L21-K26 PolarHBondContact O-NZ 3.24Å; L21-L29 HydrophobicContact CD1-CD1 3.49Å; L21-L29 VanDerWaalsContact CD1-CD1 3.49Å; L21-F65 HydrophobicContact CD1-CE2 4.1Å
22K84.2Confident90.9Very high184 Ų18481.2 Ų81.280%0.839%0.393SS*.SBendtrans-100.2-35.4178.9-67.3-174.5179.8-177.40113.1
23H85.2Confident90.8Very high183 Ų18374.9 Ų74.985%0.84737%0.366SS*.SBendtrans-120.524.3-169.4-53.5-69.1000113.2
24S85.5Confident90.7Very high54 Ų5475.3 Ų75.338%0.37837%0.366SS..SBendtrans-124.6149.3-178.6-50.70000110.5K26S24-K26 VanDerWaalsContact C-N 3.34Å; S24-K26 PolarHBondContact O-N 3.31Å
25D89.6Confident90.7Very high100 Ų10077.7 Ų77.754%0.53538%0.383SS..  trans-67.993.3172.9-172.9-20.5000110S27 Y28 L29D25-S27 PolarHBondContact O-N 3.05Å; D25-S27 WeakPolarHBondContact OD1-CB 3.34Å; D25-S27 PolarHBondContact OD1-N 3.45Å; D25-Y28 VanDerWaalsContact CG-CB 3.41Å; D25-Y28 PolarHBondContact O-N 2.87Å; D25-Y28 PolarHBondContact OD1-N 3.26Å; D25-L29 WeakPolarHBondContact O-CG 3.47Å; D25-L29 PolarHBondContact O-N 2.93Å
26K90.4Very high90.5Very high79 Ų7978.5 Ų78.534%0.34339%0.389SS..Hα-helixtrans-60.3-37.4-179.4-56.8-176.1-175.6-166.10111.5V18 N19 L21 S24 K30V18-K26 HydrophobicContact CG1-CB 4.12Å; V18-K26 WeakPolarHBondContact CG1-O 3.41Å; N19-K26 PolarHBondContact O-NZ 3.08Å; L21-K26 WeakPolarHBondContact O-CE 3.33Å; L21-K26 PolarHBondContact O-NZ 3.24Å; S24-K26 VanDerWaalsContact C-N 3.34Å; S24-K26 PolarHBondContact O-N 3.31Å; K26-K30 VanDerWaalsContact O-CB 3.27Å; K26-K30 WeakPolarHBondContact O-CB 3.17Å; K26-K30 WeakPolarHBondContact O-CG 3.31Å; K26-K30 PolarHBondContact O-N 3.5Å
27S90.8Very high90.3Very high78 Ų7877.3 Ų77.355%0.54538%0.378SS..Hα-helixtrans-69.6-44.7-176.3-66.70000110.2D25 K31D25-S27 PolarHBondContact O-N 3.05Å; D25-S27 WeakPolarHBondContact OD1-CB 3.34Å; D25-S27 PolarHBondContact OD1-N 3.45Å; S27-K31 WeakPolarHBondContact O-CB 3.42Å; S27-K31 VanDerWaalsContact O-CG 3.3Å; S27-K31 WeakPolarHBondContact O-CG 3.48Å; S27-K31 PolarHBondContact O-N 3.33Å
28Y91.7Very high90.1Very high135 Ų13584 Ų8453%0.52941%0.407SS..Hα-helixtrans-59.6-50.5172.9176.4-104.1000111.7D25 K30 K31 R32D25-Y28 VanDerWaalsContact CG-CB 3.41Å; D25-Y28 PolarHBondContact O-N 2.87Å; D25-Y28 PolarHBondContact OD1-N 3.26Å; Y28-K30 PolarHBondContact O-N 3.3Å; Y28-K31 PolarHBondContact O-N 3.07Å; Y28-R32 WeakPolarHBondContact O-CB 3.27Å; Y28-R32 PolarHBondContact O-N 2.91Å
29L90.2Very high90Very high13 Ų1390.9 Ų90.97%0.06844%0.44CS..Hα-helixtrans-64.2-42-178.1-69.5174.9000112.6V18 L21 D25 R32 I33 F65V18-L29 HydrophobicContact CG1-CB 3.71Å; V18-L29 HydrophobicContact CG1-CD1 4.43Å; V18-L29 HydrophobicContact CG2-CB 3.88Å; V18-L29 HydrophobicContact CG2-CD1 4.39Å; L21-L29 HydrophobicContact CD1-CD1 3.49Å; L21-L29 VanDerWaalsContact CD1-CD1 3.49Å; D25-L29 WeakPolarHBondContact O-CG 3.47Å; D25-L29 PolarHBondContact O-N 2.93Å; L29-R32 PolarHBondContact O-N 3.2Å; L29-I33 WeakPolarHBondContact O-CD1 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.29Å; L29-I33 WeakPolarHBondContact O-CG1 3.27Å; L29-I33 PolarHBondContact O-N 3.44Å; L29-F65 HydrophobicContact CD1-CD2 3.79Å; L29-F65 HydrophobicContact CD1-CE2 3.72Å; L29-F65 HydrophobicContact CD1-CZ 4.44Å; L29-F65 HydrophobicContact CD2-CB 4.22Å; L29-F65 HydrophobicContact CD2-CD1 3.84Å; L29-F65 HydrophobicContact CD2-CD2 3.72Å; L29-F65 HydrophobicContact CD2-CE1 4.13Å; L29-F65 HydrophobicContact CD2-CE2 4.02Å; L29-F65 HydrophobicContact CD2-CG 3.64Å; L29-F65 HydrophobicContact CD2-CZ 4.23Å; L29-F65 HydrophobicContact CG-CD2 4.36Å; L29-F65 HydrophobicContact CG-CE2 4.32Å
30K92.4Very high89.7Confident65 Ų6589.8 Ų89.828%0.28343%0.434SS..Hα-helixtrans-59.3-48.9174.1-78.6174.3-176.3-178.10111.5L15 V18 N19 K26 Y28 R32 I33 Q34L15-K30 HydrophobicContact CD2-CG 4.2Å; V18-K30 HydrophobicContact CG1-CG 3.8Å; N19-K30 WeakPolarHBondContact OD1-CE 3.3Å; N19-K30 PolarHBondContact OD1-NZ 3.03Å; K26-K30 VanDerWaalsContact O-CB 3.27Å; K26-K30 WeakPolarHBondContact O-CB 3.17Å; K26-K30 WeakPolarHBondContact O-CG 3.31Å; K26-K30 PolarHBondContact O-N 3.5Å; Y28-K30 PolarHBondContact O-N 3.3Å; K30-R32 VanDerWaalsContact C-N 3.33Å; K30-R32 PolarHBondContact O-N 3.38Å; K30-I33 PolarHBondContact O-N 3.25Å; K30-Q34 WeakPolarHBondContact O-CB 3.4Å; K30-Q34 VanDerWaalsContact O-CG 3.24Å; K30-Q34 WeakPolarHBondContact O-CG 3.44Å; K30-Q34 PolarHBondContact O-N 3.01Å
31K94.3Very high89.1Confident141 Ų14192 Ų9261%0.61344%0.438SS*.Hα-helixtrans-59.6-45.5178-76.1179.3179.3-178.10110.7S27 Y28 I33 Q34 S35S27-K31 WeakPolarHBondContact O-CB 3.42Å; S27-K31 VanDerWaalsContact O-CG 3.3Å; S27-K31 WeakPolarHBondContact O-CG 3.48Å; S27-K31 PolarHBondContact O-N 3.33Å; Y28-K31 PolarHBondContact O-N 3.07Å; K31-I33 PolarHBondContact O-N 2.92Å; K31-Q34 PolarHBondContact O-N 2.75Å; K31-S35 WeakPolarHBondContact O-CB 3.42Å; K31-S35 PolarHBondContact O-N 3.43Å; K31-S35 PolarHBondContact O-OG 3.32Å; K31-S35 VanDerWaalsContact O-OG 3.1Å
32R91.7Very high88.5Confident95 Ų9596.8 Ų96.836%0.35847%0.468SS..Hα-helixtrans-57.3-49176.9-170.5178-177.5-156.20.6111.6Y28 L29 K30 S35 T36 I66Y28-R32 WeakPolarHBondContact O-CB 3.27Å; Y28-R32 PolarHBondContact O-N 2.91Å; L29-R32 PolarHBondContact O-N 3.2Å; K30-R32 VanDerWaalsContact C-N 3.33Å; K30-R32 PolarHBondContact O-N 3.38Å; R32-S35 PolarHBondContact O-N 2.92Å; R32-T36 PolarHBondContact O-N 2.97Å; R32-T36 VanDerWaalsContact O-N 3.1Å; R32-T36 PolarHBondContact O-OG1 2.88Å; R32-T36 VanDerWaalsContact O-OG1 3.08Å; R32-I66 PolarHBondContact NH1-O 2.88Å
33I91.8Very high87.7Confident10 Ų1089.9 Ų89.95%0.05144%0.443CS..Hα-helixtrans-60.4-49.5176.7-65.8158.9000110.3Y11 L14 L15 V18 L29 K30 K31 S35 T36 F37 F65Y11-I33 HydrophobicContact CD2-CG2 3.84Å; Y11-I33 HydrophobicContact CE2-CG2 3.91Å; L14-I33 HydrophobicContact CB-CD1 3.96Å; L14-I33 HydrophobicContact CB-CG2 4.29Å; L14-I33 HydrophobicContact CD1-CG2 4.41Å; L15-I33 HydrophobicContact CD2-CG2 4.39Å; V18-I33 HydrophobicContact CB-CD1 4.5Å; V18-I33 HydrophobicContact CG2-CD1 3.5Å; V18-I33 VanDerWaalsContact CG2-CD1 3.5Å; L29-I33 WeakPolarHBondContact O-CD1 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.29Å; L29-I33 WeakPolarHBondContact O-CG1 3.27Å; L29-I33 PolarHBondContact O-N 3.44Å; K30-I33 PolarHBondContact O-N 3.25Å; K31-I33 PolarHBondContact O-N 2.92Å; I33-S35 PolarHBondContact O-N 3.18Å; I33-T36 PolarHBondContact O-N 3.48Å; I33-F37 HydrophobicContact CG2-CD2 3.84Å; I33-F37 HydrophobicContact CG2-CE2 3.91Å; I33-F37 VanDerWaalsContact O-CD2 3.27Å; I33-F37 WeakPolarHBondContact O-CD2 3.24Å; I33-F37 PolarHBondContact O-N 3.47Å; I33-F65 HydrophobicContact CD1-CE1 4.16Å; I33-F65 HydrophobicContact CD1-CZ 4Å; I33-F65 HydrophobicContact CG1-CE1 4.26Å
34Q93.5Very high86.8Confident88 Ų8887.8 Ų87.841%0.41144%0.443SS..Hα-helixtrans-59.5-44.8-178.6-75.5172.4-17.200112.5Y11 K30 K31 F37 K38Y11-Q34 HydrophobicContact CE2-CG 4.25Å; Y11-Q34 WeakPolarHBondContact OH-CG 3.37Å; K30-Q34 WeakPolarHBondContact O-CB 3.4Å; K30-Q34 VanDerWaalsContact O-CG 3.24Å; K30-Q34 WeakPolarHBondContact O-CG 3.44Å; K30-Q34 PolarHBondContact O-N 3.01Å; K31-Q34 PolarHBondContact O-N 2.75Å; Q34-F37 PolarHBondContact O-N 3.35Å; Q34-K38 VanDerWaalsContact O-CB 3.26Å; Q34-K38 WeakPolarHBondContact O-CB 3.41Å; Q34-K38 PolarHBondContact O-N 2.93Å
35S92.5Very high86.5Confident56 Ų5689.1 Ų89.139%0.39245%0.446SS..Hα-helixtrans-61.8-49.1177.7-62.80000111.2K31 R32 I33 F37 K38 E39K31-S35 WeakPolarHBondContact O-CB 3.42Å; K31-S35 PolarHBondContact O-N 3.43Å; K31-S35 PolarHBondContact O-OG 3.32Å; K31-S35 VanDerWaalsContact O-OG 3.1Å; R32-S35 PolarHBondContact O-N 2.92Å; I33-S35 PolarHBondContact O-N 3.18Å; S35-F37 VanDerWaalsContact C-N 3.35Å; S35-F37 PolarHBondContact O-N 2.94Å; S35-K38 PolarHBondContact O-N 3.28Å; S35-K38 VanDerWaalsContact O-N 3.09Å; S35-E39 WeakPolarHBondContact O-CB 3.42Å; S35-E39 VanDerWaalsContact O-CG 3.3Å; S35-E39 WeakPolarHBondContact O-CG 3.33Å; S35-E39 PolarHBondContact O-N 3.15Å
36T89.5Confident85.9Confident49 Ų4988.8 Ų88.830%0.30144%0.444SS..Hα-helixtrans-59.3-43.7179.2-57.30000112.3R32 I33 K38 N40 L52R32-T36 PolarHBondContact O-N 2.97Å; R32-T36 VanDerWaalsContact O-N 3.1Å; R32-T36 PolarHBondContact O-OG1 2.88Å; R32-T36 VanDerWaalsContact O-OG1 3.08Å; I33-T36 PolarHBondContact O-N 3.48Å; T36-K38 VanDerWaalsContact C-N 3.34Å; T36-N40 WeakPolarHBondContact O-CB 3.44Å; T36-N40 PolarHBondContact O-N 3.47Å; T36-N40 VanDerWaalsContact O-N 3.12Å; T36-N40 PolarHBondContact O-ND2 3.12Å; T36-L52 HydrophobicContact CG2-CD2 4.21Å
37F89.7Confident85.6Confident52 Ų5290.8 Ų90.823%0.22846%0.458CS..Hα-helixtrans-69-32.5177.3-85.4-99.5000112.7I7 L10 Y11 L14 I33 Q34 S35 K41I7-F37 HydrophobicContact CG2-CD1 4.09Å; I7-F37 HydrophobicContact CG2-CE1 3.64Å; I7-F37 WeakPolarHBondContact O-CE1 3.41Å; L10-F37 HydrophobicContact CD2-CZ 4.45Å; L10-F37 HydrophobicContact CG-CZ 4.35Å; Y11-F37 HydrophobicContact CD2-CB 4.19Å; Y11-F37 AromaticContact CD2-CD1 3.9Å; Y11-F37 HydrophobicContact CD2-CD1 3.9Å; Y11-F37 AromaticContact CD2-CD2 3.73Å; Y11-F37 HydrophobicContact CD2-CD2 3.73Å; Y11-F37 HydrophobicContact CD2-CE1 4.18Å; Y11-F37 HydrophobicContact CD2-CE2 4Å; Y11-F37 AromaticContact CD2-CG 3.66Å; Y11-F37 HydrophobicContact CD2-CG 3.66Å; Y11-F37 HydrophobicContact CD2-CZ 4.22Å; Y11-F37 HydrophobicContact CE2-CB 4.38Å; Y11-F37 HydrophobicContact CE2-CD2 4.42Å; Y11-F37 HydrophobicContact CE2-CG 4.31Å; Y11-F37 HydrophobicContact CG-CD1 4.19Å; Y11-F37 HydrophobicContact CG-CE1 4.26Å; Y11-F37 HydrophobicContact CG-CG 4.4Å; L14-F37 HydrophobicContact CD1-CE2 3.9Å; L14-F37 HydrophobicContact CD1-CZ 4.19Å; I33-F37 HydrophobicContact CG2-CD2 3.84Å; I33-F37 HydrophobicContact CG2-CE2 3.91Å; I33-F37 VanDerWaalsContact O-CD2 3.27Å; I33-F37 WeakPolarHBondContact O-CD2 3.24Å; I33-F37 PolarHBondContact O-N 3.47Å; Q34-F37 PolarHBondContact O-N 3.35Å; S35-F37 VanDerWaalsContact C-N 3.35Å; S35-F37 PolarHBondContact O-N 2.94Å; F37-K41 PolarHBondContact O-N 2.85Å
38K89Confident85.3Confident169 Ų16989.6 Ų89.674%0.73544%0.444SS*.Hα-helixtrans-71.6-44.7177.5-174.3-178.8177.5-173.70111.5Q34 S35 T36 N40 K41Q34-K38 VanDerWaalsContact O-CB 3.26Å; Q34-K38 WeakPolarHBondContact O-CB 3.41Å; Q34-K38 PolarHBondContact O-N 2.93Å; S35-K38 PolarHBondContact O-N 3.28Å; S35-K38 VanDerWaalsContact O-N 3.09Å; T36-K38 VanDerWaalsContact C-N 3.34Å; K38-N40 VanDerWaalsContact C-N 3.31Å; K38-N40 PolarHBondContact O-N 2.93Å; K38-K41 WeakPolarHBondContact O-CB 3.26Å; K38-K41 PolarHBondContact O-N 3.19Å
39E87.9Confident84.9Confident146 Ų14684.4 Ų84.468%0.68243%0.427SS*.Hα-helixtrans-62.7-38.2178.2-72.9163-168.200111.4S35S35-E39 WeakPolarHBondContact O-CB 3.42Å; S35-E39 VanDerWaalsContact O-CG 3.3Å; S35-E39 WeakPolarHBondContact O-CG 3.33Å; S35-E39 PolarHBondContact O-N 3.15Å
40N84.6Confident84.8Confident47 Ų4785.6 Ų85.625%0.25144%0.435SS..THydrogen-bonded Turntrans-959.6-178.5-66.1-82.8000113.9T36 K38 V42 S43 L52T36-N40 WeakPolarHBondContact O-CB 3.44Å; T36-N40 PolarHBondContact O-N 3.47Å; T36-N40 VanDerWaalsContact O-N 3.12Å; T36-N40 PolarHBondContact O-ND2 3.12Å; K38-N40 VanDerWaalsContact C-N 3.31Å; K38-N40 PolarHBondContact O-N 2.93Å; N40-V42 VanDerWaalsContact C-N 3.25Å; N40-V42 PolarHBondContact O-N 3.44Å; N40-S43 PolarHBondContact O-N 3.12Å; N40-L52 HydrophobicContact CB-CD1 3.88Å; N40-L52 WeakPolarHBondContact ND2-CD1 3.47Å; N40-L52 VanDerWaalsContact OD1-CD1 3.32Å; N40-L52 WeakPolarHBondContact OD1-CD1 3.43Å
41K78.7Confident84.6Confident163 Ų16390.4 Ų90.471%0.70945%0.451SS*.THydrogen-bonded Turntrans-61.6-33.3-177.2-177.9-177.3174.6-1700113.2F37 K38F37-K41 PolarHBondContact O-N 2.85Å; K38-K41 WeakPolarHBondContact O-CB 3.26Å; K38-K41 PolarHBondContact O-N 3.19Å
42V75.7Confident84.3Confident125 Ų12585.6 Ų85.676%0.75843%0.432SS*.THydrogen-bonded Turntrans-114.617.8-176.9-161.40000110.1N40 T44N40-V42 VanDerWaalsContact C-N 3.25Å; N40-V42 PolarHBondContact O-N 3.44Å; V42-T44 PolarHBondContact O-N 3.46Å
43S67Low84.2Confident40 Ų4083.7 Ų83.728%0.2843%0.425SS..  trans-57.8121.7179.2-167.30000108.9N40 D45N40-S43 PolarHBondContact O-N 3.12Å; S43-D45 PolarHBondContact OG-N 3.43Å
44T67.3Low84.2Confident139 Ų13989.4 Ų89.485%0.85345%0.45SS*.  trans-81.7-11174.6-440000110.5V42 D46V42-T44 PolarHBondContact O-N 3.46Å; T44-D46 PolarHBondContact O-N 3.24Å
45D77.4Confident84Confident82 Ų8290.3 Ų90.344%0.43945%0.452SS..  trans-89.4103.6179-170.4-12.8000110.4S43 D47 E48 T49S43-D45 PolarHBondContact OG-N 3.43Å; D45-D47 PolarHBondContact O-N 2.92Å; D45-D47 WeakPolarHBondContact OD1-CA 3.44Å; D45-D47 VanDerWaalsContact OD1-CB 3.31Å; D45-D47 WeakPolarHBondContact OD1-CB 3.32Å; D45-D47 PolarHBondContact OD1-N 3.37Å; D45-E48 HydrophobicContact CB-CB 4.06Å; D45-E48 PolarHBondContact O-N 3.49Å; D45-E48 PolarHBondContact OD1-N 3.46Å; D45-T49 PolarHBondContact O-N 3.44Å; D45-T49 VanDerWaalsContact O-N 3.11Å; D45-T49 PolarHBondContact O-OG1 3.33Å
46D77.3Confident83.9Confident93 Ų9387.9 Ų87.950%0.49744%0.436SS..Hα-helixtrans-64-29.4175-81.5-25.4000112.1M1 T44 T50M1-D46 VanDerWaalsContact CE-OD2 3.31Å; M1-D46 WeakPolarHBondContact CE-OD2 3.5Å; T44-D46 PolarHBondContact O-N 3.24Å; D46-T50 VanDerWaalsContact O-CB 3.31Å; D46-T50 WeakPolarHBondContact O-CB 3.44Å; D46-T50 PolarHBondContact O-N 2.84Å; D46-T50 PolarHBondContact O-OG1 2.89Å
47D84.5Confident84Confident120 Ų12087.8 Ų87.864%0.64244%0.437SS*.Hα-helixtrans-71.9-45178.8-72.2-30.7000110.2D45 T49 T50 R51D45-D47 PolarHBondContact O-N 2.92Å; D45-D47 WeakPolarHBondContact OD1-CA 3.44Å; D45-D47 VanDerWaalsContact OD1-CB 3.31Å; D45-D47 WeakPolarHBondContact OD1-CB 3.32Å; D45-D47 PolarHBondContact OD1-N 3.37Å; D47-T49 VanDerWaalsContact C-N 3.34Å; D47-T49 PolarHBondContact O-N 2.83Å; D47-T50 PolarHBondContact O-N 3.34Å; D47-R51 VanDerWaalsContact O-CG 3.28Å; D47-R51 WeakPolarHBondContact O-CG 3.36Å; D47-R51 PolarHBondContact O-N 3.2Å
48E84.1Confident84.1Confident53 Ų5390 Ų9025%0.24845%0.448CS..Hα-helixtrans-64-41.7176.1-17557.4-161.700111.5D45 T50 R51 L52D45-E48 HydrophobicContact CB-CB 4.06Å; D45-E48 PolarHBondContact O-N 3.49Å; D45-E48 PolarHBondContact OD1-N 3.46Å; E48-T50 VanDerWaalsContact C-N 3.29Å; E48-T50 PolarHBondContact O-N 3.39Å; E48-R51 PolarHBondContact O-N 3.2Å; E48-R51 IonicContact OE2-CZ 3.75Å; E48-R51 IonicContact OE2-NH1 2.75Å; E48-R51 PolarHBondContact OE2-NH1 3.06Å; E48-L52 HydrophobicContact CG-CD1 4.09Å; E48-L52 HydrophobicContact CG-CG 4.42Å; E48-L52 WeakPolarHBondContact O-CB 3.49Å; E48-L52 WeakPolarHBondContact O-CG 3.28Å; E48-L52 PolarHBondContact O-N 3.26Å
49T85Confident84.1Confident26 Ų2683.1 Ų83.116%0.1642%0.419CS..Hα-helixtrans-58.5-43.9174.3-59.70000111.2I7 D45 D47 Y53I7-T49 HydrophobicContact CD1-CG2 3.52Å; D45-T49 PolarHBondContact O-N 3.44Å; D45-T49 VanDerWaalsContact O-N 3.11Å; D45-T49 PolarHBondContact O-OG1 3.33Å; D47-T49 VanDerWaalsContact C-N 3.34Å; D47-T49 PolarHBondContact O-N 2.83Å; T49-Y53 VanDerWaalsContact O-CB 3.28Å; T49-Y53 WeakPolarHBondContact O-CB 3.41Å; T49-Y53 PolarHBondContact O-N 2.92Å
50T86.4Confident84.2Confident39 Ų3977.6 Ų77.624%0.23939%0.394CS..Hα-helixtrans-65.9-40.3177.7-610000111.8D46 D47 E48 Y53 K54D46-T50 VanDerWaalsContact O-CB 3.31Å; D46-T50 WeakPolarHBondContact O-CB 3.44Å; D46-T50 PolarHBondContact O-N 2.84Å; D46-T50 PolarHBondContact O-OG1 2.89Å; D47-T50 PolarHBondContact O-N 3.34Å; E48-T50 VanDerWaalsContact C-N 3.29Å; E48-T50 PolarHBondContact O-N 3.39Å; T50-Y53 PolarHBondContact O-N 3.42Å; T50-K54 HydrophobicContact CG2-CD 4.35Å; T50-K54 WeakPolarHBondContact O-CG 3.3Å; T50-K54 PolarHBondContact O-N 2.96Å
51R88.8Confident84.4Confident166 Ų16683.6 Ų83.663%0.62641%0.413SS*.Hα-helixtrans-63.6-47.5176.5-73.6177.572.7-142.67.5111.7D47 E48 Y53 K54 K55D47-R51 VanDerWaalsContact O-CG 3.28Å; D47-R51 WeakPolarHBondContact O-CG 3.36Å; D47-R51 PolarHBondContact O-N 3.2Å; E48-R51 PolarHBondContact O-N 3.2Å; E48-R51 IonicContact OE2-CZ 3.75Å; E48-R51 IonicContact OE2-NH1 2.75Å; E48-R51 PolarHBondContact OE2-NH1 3.06Å; R51-Y53 VanDerWaalsContact C-N 3.34Å; R51-Y53 PolarHBondContact O-N 3Å; R51-K54 PolarHBondContact O-N 3.39Å; R51-K55 WeakPolarHBondContact O-CB 3.31Å; R51-K55 PolarHBondContact O-N 3.48Å
52L88.5Confident84.8Confident40 Ų4079.7 Ų79.721%0.20940%0.399CS..Hα-helixtrans-64.2-39.6177.3-70.1172.3000111.9T36 N40 E48 K55 G56T36-L52 HydrophobicContact CG2-CD2 4.21Å; N40-L52 HydrophobicContact CB-CD1 3.88Å; N40-L52 WeakPolarHBondContact ND2-CD1 3.47Å; N40-L52 VanDerWaalsContact OD1-CD1 3.32Å; N40-L52 WeakPolarHBondContact OD1-CD1 3.43Å; E48-L52 HydrophobicContact CG-CD1 4.09Å; E48-L52 HydrophobicContact CG-CG 4.42Å; E48-L52 WeakPolarHBondContact O-CB 3.49Å; E48-L52 WeakPolarHBondContact O-CG 3.28Å; E48-L52 PolarHBondContact O-N 3.26Å; L52-K55 PolarHBondContact O-N 3.28Å; L52-G56 PolarHBondContact O-N 2.87Å
53Y89.7Confident85.2Confident54 Ų5479.7 Ų79.721%0.21239%0.389CS..Hα-helixtrans-60.2-50.3174.3-179.7-102.7000111.5T2 E6 I7 L10 T49 T50 R51 K55 G56 C57T2-Y53 HydrophobicContact CG2-CD1 3.82Å; T2-Y53 HydrophobicContact CG2-CD2 3.55Å; T2-Y53 HydrophobicContact CG2-CE1 4.02Å; T2-Y53 HydrophobicContact CG2-CE2 3.8Å; T2-Y53 HydrophobicContact CG2-CG 3.57Å; E6-Y53 HydrophobicContact CB-CE2 3.89Å; I7-Y53 HydrophobicContact CG1-CD2 4.34Å; L10-Y53 HydrophobicContact CB-CD2 4.28Å; L10-Y53 HydrophobicContact CB-CE2 3.98Å; L10-Y53 HydrophobicContact CD2-CD2 3.4Å; L10-Y53 VanDerWaalsContact CD2-CD2 3.4Å; L10-Y53 HydrophobicContact CD2-CE2 3.83Å; L10-Y53 HydrophobicContact CD2-CG 4.16Å; L10-Y53 WeakPolarHBondContact CD2-O 3.46Å; L10-Y53 HydrophobicContact CG-CD2 4.46Å; L10-Y53 HydrophobicContact CG-CE2 4.49Å; T49-Y53 VanDerWaalsContact O-CB 3.28Å; T49-Y53 WeakPolarHBondContact O-CB 3.41Å; T49-Y53 PolarHBondContact O-N 2.92Å; T50-Y53 PolarHBondContact O-N 3.42Å; R51-Y53 VanDerWaalsContact C-N 3.34Å; R51-Y53 PolarHBondContact O-N 3Å; Y53-K55 VanDerWaalsContact C-N 3.35Å; Y53-K55 PolarHBondContact O-N 3.2Å; Y53-G56 PolarHBondContact O-N 3.45Å; Y53-C57 PolarHBondContact O-N 3.11Å; Y53-C57 PolarHBondContact O-SG 3.44Å; Y53-C57 VanDerWaalsContact O-SG 3.39Å
54K90.4Very high85.7Confident131 Ų13186.2 Ų86.257%0.5741%0.407SS*.Hα-helixtrans-57.6-46.8176.1-75176.1179.9177.30111.4T50 R51 G56 C57 E58T50-K54 HydrophobicContact CG2-CD 4.35Å; T50-K54 WeakPolarHBondContact O-CG 3.3Å; T50-K54 PolarHBondContact O-N 2.96Å; R51-K54 PolarHBondContact O-N 3.39Å; K54-G56 VanDerWaalsContact C-N 3.34Å; K54-G56 PolarHBondContact O-N 2.99Å; K54-C57 WeakPolarHBondContact O-CB 3.28Å; K54-C57 PolarHBondContact O-N 3.3Å; K54-E58 WeakPolarHBondContact O-CG 3.35Å; K54-E58 PolarHBondContact O-N 2.95Å
55K90.5Very high85.9Confident106 Ų10681.6 Ų81.646%0.46138%0.376SS..Hα-helixtrans-57.4-44.5176.5-177177.7-178.51760112.2R51 L52 Y53 E58 I59R51-K55 WeakPolarHBondContact O-CB 3.31Å; R51-K55 PolarHBondContact O-N 3.48Å; L52-K55 PolarHBondContact O-N 3.28Å; Y53-K55 VanDerWaalsContact C-N 3.35Å; Y53-K55 PolarHBondContact O-N 3.2Å; K55-E58 PolarHBondContact O-N 3.2Å; K55-I59 WeakPolarHBondContact O-CG1 3.37Å; K55-I59 PolarHBondContact O-N 3.48Å
56G90.4Very high85Confident5 Ų585.2 Ų85.25%0.05239%0.393CS..Hα-helixtrans-65.4-39.8177.500000112.8L52 Y53 K54 E58 I59 L60L52-G56 PolarHBondContact O-N 2.87Å; Y53-G56 PolarHBondContact O-N 3.45Å; K54-G56 VanDerWaalsContact C-N 3.34Å; K54-G56 PolarHBondContact O-N 2.99Å; G56-E58 VanDerWaalsContact C-N 3.3Å; G56-E58 PolarHBondContact O-N 3.47Å; G56-I59 PolarHBondContact O-N 3.2Å; G56-L60 PolarHBondContact O-N 2.77Å; G56-L60 VanDerWaalsContact O-N 3.15Å
57C90.6Very high85.4Confident48 Ų4884.8 Ų84.832%0.32439%0.388SS..Hα-helixtrans-61-40.2172.6-71.10000111.6Y53 K54 L60 R61Y53-C57 PolarHBondContact O-N 3.11Å; Y53-C57 PolarHBondContact O-SG 3.44Å; Y53-C57 VanDerWaalsContact O-SG 3.39Å; K54-C57 WeakPolarHBondContact O-CB 3.28Å; K54-C57 PolarHBondContact O-N 3.3Å; C57-L60 PolarHBondContact O-N 2.96Å; C57-R61 WeakPolarHBondContact O-CB 3.44Å; C57-R61 PolarHBondContact O-N 3.47Å
58E92Very high85.5Confident98 Ų9882.9 Ų82.946%0.45838%0.375SS..Hα-helixtrans-65.2-40.5175.8-71.7-172.4100.400112.9K54 K55 G56 L60 R61 L62K54-E58 WeakPolarHBondContact O-CG 3.35Å; K54-E58 PolarHBondContact O-N 2.95Å; K55-E58 PolarHBondContact O-N 3.2Å; G56-E58 VanDerWaalsContact C-N 3.3Å; G56-E58 PolarHBondContact O-N 3.47Å; E58-L60 VanDerWaalsContact C-N 3.27Å; E58-L60 PolarHBondContact O-N 2.74Å; E58-R61 PolarHBondContact O-N 3.11Å; E58-L62 WeakPolarHBondContact O-CB 3.49Å; E58-L62 WeakPolarHBondContact O-CG 3.31Å; E58-L62 PolarHBondContact O-N 3.45Å
59I89.5Confident85.5Confident25 Ų2584.6 Ų84.613%0.12838%0.382CS..Hα-helixtrans-57.7-43.7173.7-69167.6000110.4L14 Y17 K55 G56 K63 R64 F65L14-I59 HydrophobicContact CD2-CB 4.17Å; L14-I59 HydrophobicContact CD2-CG2 3.81Å; Y17-I59 HydrophobicContact CE1-CG2 4.24Å; K55-I59 WeakPolarHBondContact O-CG1 3.37Å; K55-I59 PolarHBondContact O-N 3.48Å; G56-I59 PolarHBondContact O-N 3.2Å; I59-K63 VanDerWaalsContact O-CA 3.27Å; I59-K63 WeakPolarHBondContact O-CA 3.48Å; I59-K63 PolarHBondContact O-N 2.79Å; I59-R64 PolarHBondContact O-N 3.39Å; I59-F65 HydrophobicContact CD1-CD1 4.12Å; I59-F65 HydrophobicContact CD1-CE1 4.28Å; I59-F65 HydrophobicContact CG2-CD1 4.01Å; I59-F65 HydrophobicContact CG2-CD2 4.44Å; I59-F65 HydrophobicContact CG2-CE1 3.83Å; I59-F65 HydrophobicContact CG2-CE2 4.27Å; I59-F65 HydrophobicContact CG2-CG 4.31Å; I59-F65 HydrophobicContact CG2-CZ 3.95Å
60L89.3Confident85.6Confident29 Ų2988.1 Ų88.115%0.15240%0.395CS..Hα-helixtrans-68.9-34.5178.5-72.3178000113.3L10 N13 L14 Y17 G56 C57 E58 K63L10-L60 HydrophobicContact CD1-CD1 3.53Å; L10-L60 HydrophobicContact CD1-CG 4.39Å; N13-L60 HydrophobicContact CB-CD1 3.5Å; N13-L60 HydrophobicContact CB-CD2 4.36Å; L14-L60 HydrophobicContact CD2-CD1 4.47Å; L14-L60 HydrophobicContact CD2-CD2 3.89Å; L14-L60 HydrophobicContact CD2-CG 3.79Å; L14-L60 HydrophobicContact CG-CD1 4.4Å; L14-L60 HydrophobicContact CG-CD2 4.34Å; L14-L60 HydrophobicContact CG-CG 4.24Å; Y17-L60 HydrophobicContact CD1-CD2 4.26Å; Y17-L60 HydrophobicContact CG-CD2 4.1Å; G56-L60 PolarHBondContact O-N 2.77Å; G56-L60 VanDerWaalsContact O-N 3.15Å; C57-L60 PolarHBondContact O-N 2.96Å; E58-L60 VanDerWaalsContact C-N 3.27Å; E58-L60 PolarHBondContact O-N 2.74Å; L60-K63 VanDerWaalsContact O-CD 3.31Å; L60-K63 WeakPolarHBondContact O-CD 3.4Å; L60-K63 WeakPolarHBondContact O-CE 3.31Å; L60-K63 PolarHBondContact O-NZ 2.89Å
61R88.8Confident85.5Confident173 Ų17391.1 Ų91.165%0.65341%0.405SS*.Hα-helixtrans-72.1-48.1178.3-172.7-177.871.787.3-3.9111.6C57 E58 K63C57-R61 WeakPolarHBondContact O-CB 3.44Å; C57-R61 PolarHBondContact O-N 3.47Å; E58-R61 PolarHBondContact O-N 3.11Å; R61-K63 VanDerWaalsContact C-N 3.34Å
62L88.5Confident85.3Confident81 Ų8186.1 Ų86.142%0.42439%0.39SS..Hα-helixtrans-82.5-13.1-177.6-64.2177.2000112.9E58 R64E58-L62 WeakPolarHBondContact O-CB 3.49Å; E58-L62 WeakPolarHBondContact O-CG 3.31Å; E58-L62 PolarHBondContact O-N 3.45Å; L62-R64 HydrophobicContact CB-CB 4.35Å; L62-R64 PolarHBondContact O-N 3.05Å
63K82.7Confident85.1Confident125 Ų12589.4 Ų89.454%0.54340%0.403SS..THydrogen-bonded Turntrans49.740.3-173.3-56.1-65.8-178.4-158.30111.2Y17 I59 L60 R61Y17-K63 HydrophobicContact CD2-CD 3.76Å; Y17-K63 HydrophobicContact CE2-CB 4.02Å; Y17-K63 HydrophobicContact CE2-CD 3.45Å; Y17-K63 VanDerWaalsContact CE2-CD 3.45Å; Y17-K63 HydrophobicContact CE2-CG 4.32Å; Y17-K63 WeakPolarHBondContact OH-CA 3.17Å; Y17-K63 PolarHBondContact OH-O 3.18Å; I59-K63 VanDerWaalsContact O-CA 3.27Å; I59-K63 WeakPolarHBondContact O-CA 3.48Å; I59-K63 PolarHBondContact O-N 2.79Å; L60-K63 VanDerWaalsContact O-CD 3.31Å; L60-K63 WeakPolarHBondContact O-CD 3.4Å; L60-K63 WeakPolarHBondContact O-CE 3.31Å; L60-K63 PolarHBondContact O-NZ 2.89Å; R61-K63 VanDerWaalsContact C-N 3.34Å
64R77.5Confident84.7Confident177 Ų17792.2 Ų92.267%0.66842%0.417SS*.  trans-142.1127.1-178.6-174.2174.5179.1176.11.4109.4I59 L62I59-R64 PolarHBondContact O-N 3.39Å; L62-R64 HydrophobicContact CB-CB 4.35Å; L62-R64 PolarHBondContact O-N 3.05Å
65F71.7Confident84.2Confident43 Ų4388.9 Ų88.919%0.18941%0.405CS..  trans-78.5122162.6-72.7-87.2000107.8Y17 V18 L21 L29 I33 I59Y17-F65 AromaticContact CD1-CE2 3.92Å; Y17-F65 HydrophobicContact CD1-CE2 3.92Å; Y17-F65 HydrophobicContact CD1-CZ 4.19Å; Y17-F65 HydrophobicContact CE1-CD2 4.09Å; Y17-F65 AromaticContact CE1-CE2 3.41Å; Y17-F65 HydrophobicContact CE1-CE2 3.41Å; Y17-F65 VanDerWaalsContact CE1-CE2 3.41Å; Y17-F65 HydrophobicContact CE1-CZ 4.08Å; V18-F65 HydrophobicContact CG2-CE2 3.71Å; V18-F65 HydrophobicContact CG2-CZ 3.4Å; V18-F65 VanDerWaalsContact CG2-CZ 3.4Å; L21-F65 HydrophobicContact CD1-CE2 4.1Å; L29-F65 HydrophobicContact CD1-CD2 3.79Å; L29-F65 HydrophobicContact CD1-CE2 3.72Å; L29-F65 HydrophobicContact CD1-CZ 4.44Å; L29-F65 HydrophobicContact CD2-CB 4.22Å; L29-F65 HydrophobicContact CD2-CD1 3.84Å; L29-F65 HydrophobicContact CD2-CD2 3.72Å; L29-F65 HydrophobicContact CD2-CE1 4.13Å; L29-F65 HydrophobicContact CD2-CE2 4.02Å; L29-F65 HydrophobicContact CD2-CG 3.64Å; L29-F65 HydrophobicContact CD2-CZ 4.23Å; L29-F65 HydrophobicContact CG-CD2 4.36Å; L29-F65 HydrophobicContact CG-CE2 4.32Å; I33-F65 HydrophobicContact CD1-CE1 4.16Å; I33-F65 HydrophobicContact CD1-CZ 4Å; I33-F65 HydrophobicContact CG1-CE1 4.26Å; I59-F65 HydrophobicContact CD1-CD1 4.12Å; I59-F65 HydrophobicContact CD1-CE1 4.28Å; I59-F65 HydrophobicContact CG2-CD1 4.01Å; I59-F65 HydrophobicContact CG2-CD2 4.44Å; I59-F65 HydrophobicContact CG2-CE1 3.83Å; I59-F65 HydrophobicContact CG2-CE2 4.27Å; I59-F65 HydrophobicContact CG2-CG 4.31Å; I59-F65 HydrophobicContact CG2-CZ 3.95Å
66I59.3Low83.7Confident157 Ų15787.4 Ų87.481%0.80540%0.4SS*.  trans-940167.9-53.1174.8000108.1R32R32-I66 PolarHBondContact NH1-O 2.88Å

Retrieved 66 of 66 residues in 242.4 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).