Project name: 1UM5 unbound default 3 run HL GTSSPSAD ss: CCCCCCCC

Status: done

submitted: 2015-02-25 18:47:28, status changed: 2015-03-13 10:55:55

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
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Representative conformations
model_1 View
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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) 49.0194 5.42642 33.5165 266
cluster_2.pdb ( medoid) 23.5259 4.93074 27.8114 116
cluster_3.pdb ( medoid) 17.2343 8.06529 38.2557 139
cluster_4.pdb ( medoid) 12.3282 10.3016 36.5824 127
cluster_5.pdb ( medoid) 10.1264 10.9614 39.0493 111
cluster_6.pdb ( medoid) 6.43041 6.37596 15.2801 41
cluster_7.pdb ( medoid) 5.35141 13.4544 34.8499 72
cluster_8.pdb ( medoid) 3.03955 14.8048 37.7443 45
cluster_9.pdb ( medoid) 2.83756 13.0394 32.3073 37
cluster_10.pdb ( medoid) 2.5637 17.9428 41.5129 46
Laboratory of Theory of Biopolymers 2015