MDBind 6cf6 2

Molecular system

Starting structure: 6CF6PDB 6CF6(opens in a new tab)
Force field: Amber ff14SB, GAFFTIP3P
Engine: Amber 20
Method: Classical MD
Timestep: 2 fs
Frames: 500
Composition: Molecules of interest
ProteinProtein · 2 chains9,828 atoms639 residues
OtherOther146 atoms
Total9,974 atoms640 residues
Box dimensions: a9.995nm
b11.017nm
c12.907nm

Sequences

Sequence 1Protein · 320 residues

ADPSAKAVLT GEYKKDELLE AARSGNEEKL MALLTPLNVN CHASDGRKST PLHLAAGYNR VRIVQLLLQH GADVHAKDKG GLVPLHNACS YGHYEVTELL LKHGACVNAM DLWQFTPLHE AASKNRVEVC SLLLSHGADP TLVNCHGKSA VDMAPTPELR ERLTYEFKGH SLLQAAREAD LAKVKKTLAL EIINFKQPQS HETALHCAVA SLHPKRKQVA ELLLRKGANV NEKNKDFMTP LHVAAERAHN DVMEVLHKHG AKMNALDSLG QTALHRAALA GHLQTCRLLL SYGSDPSIIS LQGFTAAQMG NEAVQQILSE

Sequence 2Protein · 319 residues

DPSAKAVLTG EYKKDELLEA ARSGNEEKLM ALLTPLNVNC HASDGRKSTP LHLAAGYNRV RIVQLLLQHG ADVHAKDKGG LVPLHNACSY GHYEVTELLL KHGACVNAMD LWQFTPLHEA ASKNRVEVCS LLLSHGADPT LVNCHGKSAV DMAPTPELRE RLTYEFKGHS LLQAAREADL AKVKKTLALE IINFKQPQSH ETALHCAVAS LHPKRKQVAE LLLRKGANVN EKNKDFMTPL HVAAERAHND VMEVLHKHGA KMNALDSLGQ TALHRAALAG HLQTCRLLLS YGSDPSIISL QGFTAAQMGN EAVQQILSE

Run	Outputs
replica 1	Trajectory Analyses
replica 2	Trajectory Analyses
replica 3	Trajectory Analyses
replica 4	Trajectory Analyses
replica 5	Trajectory Analyses
replica 6	Trajectory Analyses
replica 7	Trajectory Analyses
replica 8	Trajectory Analyses
replica 9	Trajectory Analyses
replica 10	Trajectory Analyses

Files

25 files · 133 MB

All files133 MB

trajectory.binBIN
pca_trajectory_01.binBIN
pca_trajectory_02.binBIN
pca_trajectory_03.binBIN
pca_trajectory_04.binBIN
pca_trajectory_05.binBIN
pca_trajectory_06.binBIN
pca_trajectory_07.binBIN
pca_trajectory_08.binBIN
pca_trajectory_09.binBIN

Description

Molecular system

Sequences

Experiments

Files

Contributors