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Workunit: P000002   Title:myoglobin2



Go to: [Template Selection] [Alignment] [Modelling Log] [Evaluation]

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Model Details: ? Segment 1

 
     Model info:
     modelled residue range: 1 to 99
     based on template 1it2B (1.60 Å)
     Sequence Identity [%]: 27
     Evalue: 4.78e-5
display model: as pdb - as DeepView project
download model: as pdb - as Deepview project



Alignment   ? [top] 

TARGET    1                 SLSDADKKA LDASWKKLTA GADGKKNAGI NLVLWMFANV
1it2B     201   piidqgplp- -tltdgdkka inkiwpkiyk eye---qysl nillrflkcf
                                                                      
TARGET                         hhhhhh hhhhhhhhh         hhh hhhhhhhh  
1it2B                          hhhhhh    hhhhhh    h   hhhh hhhhhhhh  


TARGET    40    PNMRAQFSKF NANQSDDALK GDAEFIKQVN VIVAALDGLL QSVNNPGQLQ
1it2B     246   pqaqasfpkf stkksn--le qdpevkhqav vifnkvneii nsmdnqeeii
                                                                      
TARGET           hhhh                   hhhhhhhh hhhhhhhhhh h     hhhh
1it2B            hhhh                   hhhhhhhh hhhhhhhhhh h     hhhh


TARGET    90    ANLDKLAKSH  --------- ---------- ---------- ----------
1it2B     294   kslkdlsqkh ktvfkvdsiw fkelssifvs tidggaefek lfsiicillr
                                                                      
TARGET          hhhhhhhhhh                                            
1it2B           hhhhhhhhhh hhh     hh hhhhhhhhhh hh   hhhhh hhhhhhhh  


TARGET          ---                                                   
1it2B     344   say                                                   
                                                                      
TARGET                                                                
1it2B



Anolea / Gromos / Verify3D   ? [top]
anolea: on  off       gromos: on  off       verify3d: on  off




Modelling log   ? [top]
3.70 (SP3)
Loading Template: 1it2B.pdb
Loading Raw Sequence
Aligning Raw Sequence
Refining Raw Sequence Alignment
ProModII: doing simple assignment of backbone
ProModII: adding blocking groups
Adding Missing Sidechains
AddPolar H
BuildDeletetedLoopsModel
Building CSP loop with anchor residues ASP 22 and ASN 26
Building CSP loop with anchor residues ALA 21 and ASN 26
Number of Ligations found: 81
ACCEPTING loop   14: clash=   0 FF=        -55.0 PP= -8.00
Building CSP loop with anchor residues ASP 55 and LEU 58
Building CSP loop with anchor residues SER 54 and LEU 58
Number of Ligations found: 7
ACCEPTING loop    0: clash=   0 FF=        -50.0 PP=  2.00
Optimizing Sidechains
Adding Hydrogens
Optimizing loops and OXT (nb = 10)
Final Total Energy:       -3957.737 KJ/mol
Dumping Sequence Alignment



Template Selection Log:   ? [top] 
Template
     Selection


Searching ExPDB library for suitable
     templates ...

ExPDB Version: 2007-12-16-v4.0

     
Search Query : userseq (150 residues)
Putative Hits:
     27

  Hit   1: 1umoA  Evalue: 5.36e-07 (Rejected: identity too low: 0.22 (Limit: 0.25)) [Template] 
  Hit   2: 1umoB  Evalue: 5.36e-07 (Rejected: identity too low: 0.22 (Limit: 0.25)) [Template] 
  Hit   3: 1urvB  Evalue: 5.36e-07 (Rejected: identity too low: 0.22 (Limit: 0.25)) [Template] 
  Hit   4: 1urvA  Evalue: 5.36e-07 (Rejected: identity too low: 0.22 (Limit: 0.25)) [Template] 
  Hit   5: 1uryB  Evalue: 5.36e-07 (Rejected: identity too low: 0.22 (Limit: 0.25)) [Template] 
  Hit   6: 1uryA  Evalue: 5.36e-07 (Rejected: identity too low: 0.22 (Limit: 0.25)) [Template] 
  Hit   7: 1ut0A  Evalue: 5.36e-07 (Rejected: identity too low: 0.22 (Limit: 0.25)) [Template] 
  Hit   8: 1ut0B  Evalue: 5.36e-07 (Rejected: identity too low: 0.22 (Limit: 0.25)) [Template] 
  Hit   9: 1ux9B  Evalue: 5.36e-07 (Rejected: identity too low: 0.22 (Limit: 0.25)) [Template] 
  Hit  10: 1ux9A  Evalue: 5.36e-07 (Rejected: identity too low: 0.22 (Limit: 0.25)) [Template] 
  Hit  11: 2dc3A  Evalue: 1.18e-06 (Rejected: identity too low: 0.22 (Limit: 0.25)) [Template] 
  Hit  12: 1sctG  Evalue: 4.54e-06 (Rejected: identity too low: 0.23 (Limit: 0.25)) [Template] 
  Hit  13: 1sctC  Evalue: 4.54e-06 (Rejected: identity too low: 0.23 (Limit: 0.25)) [Template] 
  Hit  14: 1sctE  Evalue: 4.54e-06 (Rejected: identity too low: 0.23 (Limit: 0.25)) [Template] 
  Hit  15: 1sctA  Evalue: 4.54e-06 (Rejected: identity too low: 0.23 (Limit: 0.25)) [Template] 
  Hit  16: 1v5hA  Evalue: 1.07e-05 (Rejected: identity too low: 0.20 (Limit: 0.25)) [Template] 
  Hit  17: 2dc3B  Evalue: 1.59e-05 (Rejected: identity too low: 0.21 (Limit: 0.25)) [Template] 
  Hit  18: 1it2B  Evalue: 4.78e-05 Resolution: 1.60 [Template]
  Hit  19: 1it2A  Evalue: 4.78e-05 Resolution: 1.60 [Template]
  Hit  20: 1it3A  Evalue: 4.78e-05 Resolution: 2.10 [Template]
  Hit  21: 1it3D  Evalue: 4.78e-05 Resolution: 2.10 [Template]
  Hit  22: 1it3C  Evalue: 4.78e-05 Resolution: 2.10 [Template]
  Hit  23: 1it3B  Evalue: 4.78e-05 Resolution: 2.10 [Template]
  Hit  24: 1sctH  Evalue: 9.55e-05 (Rejected: identity too low: 0.23 (Limit: 0.25)) [Template] 
  Hit  25: 1sctD  Evalue: 9.55e-05 (Rejected: identity too low: 0.23 (Limit: 0.25)) [Template] 
  Hit  26: 1sctF  Evalue: 9.55e-05 (Rejected: identity too low: 0.23 (Limit: 0.25)) [Template] 
  Hit  27: 1sctB  Evalue: 9.55e-05 (Rejected: identity too low: 0.23 (Limit: 0.25)) [Template] 

Scoring Hits by Evalue, Resolution, Anolea and Gromos energy ....

Graphical Template Match Overview
=================================

Target    1 ++++++++++++++++   150
1it2B       *********-------      
1it2A       *********-------      
1it3A       *********-------      
1it3D       *********-------      
1it3C       *********-------      
1it3B       *********-------      


Clustering hits into Batches to be modeled seperately.

Batch         : 1 
Residue Range : 1 - 99 
Templates     : 1it2B.pdb  

Template selection end.


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swissmodel.expasy.org/workspace [ SWISS-MODEL Team ]