Project name: 1UM5 unbound default 2 run HL GTSSPSAD ss: CCCCCCCC

Status: done

submitted: 2015-02-25 18:46:44, status changed: 2015-03-13 11:11:27

Project settings
Protein sequence(s) VQLQQSGPVLVKPGGSVKMSCKASEYTLTSYLFQWVKQKSGQGLEWIGYIYPYNGGTRYNEKFRGKATLTSDKSSNTAYLELSSLTSEDSAVYYCARSSMSDPGANWGPGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPLDIQMTQSPSSLSASLGERVSLTCRASQEISGYLYWLQQKPDGTIKRLIYAGSTLDSGVPKRFSGSRSGSDYSLTISSLESEDFADYYCLQYASYPRTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECG input pdb
Peptide sequence GTSSPSAD
Simulation mc cycles50
Peptide secondary structure CCCCCCCC
Flexible regions
Unlikely to bind regions
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Zoom/rotate predicted model of the complex using mouse. Click the "View" button on the right panel to load the appropriate model. View in JSmol (pure html5/js) if you got rendering problems.
Models are ranked and numbered according to their occurrence in docking trajectory (1 = most probable result).
Representative conformations
model_1 Download
model_2 Download
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Representative conformations
model_1 View
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model_3 View
model_4 View
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model_6 View
model_7 View
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model_10 View

Receptor residuePeptide residue
Receptor residuePeptide residue
Receptor residuePeptide residue
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Trajectories
replica_1 Download
replica_2 Download
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replica_7 Download
replica_8 Download
replica_9 Download
replica_10 Download
Selected model: model_1.pdb (most representative model of the best cluster) download the model
Details about clusters
cluster namecluster density average rmsdmax rmsdnumber of elements
cluster_1.pdb ( medoid) 53.437 3.92986 21.2991 210
cluster_2.pdb ( medoid) 28.4922 6.98436 24.4369 199
cluster_3.pdb ( medoid) 19.0489 6.92953 34.4693 132
cluster_4.pdb ( medoid) 14.1762 8.18273 31.1708 116
cluster_5.pdb ( medoid) 13.1281 7.69344 44.1958 101
cluster_6.pdb ( medoid) 9.38606 6.71208 16.081 63
cluster_7.pdb ( medoid) 7.05906 11.0496 23.5634 78
cluster_8.pdb ( medoid) 5.55276 8.46427 21.2384 47
cluster_9.pdb ( medoid) 2.59579 14.6391 35.7144 38
cluster_10.pdb ( medoid) 0.78196 20.4614 35.8325 16
Laboratory of Theory of Biopolymers 2015