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CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in I222 spacegroup

Organism: Homo sapiens
Model: Experimental
Representation: Coarse-grained
Type: α-helical

Pfam Acc: PF00001
PDB ID: 3OE6


Membrane assignment:

Output PDB file Download

Hydrophobic thickness = 20.0 Å

Number of TM segments = 4

Sequence positions:
A: 76-101|122-140|163-192|341-352

Tilt angles:
A - Segment: 76-101 - Tilt: 64.2°
A - Segment: 122-140 - Tilt: 51.5°
A - Segment: 163-192 - Tilt: 70.1°
A - Segment: 341-352 - Tilt: 51.3°


Structural assessment:

MAIDEN score = -30.6772
The MAIDEN score is aimed at assessing the relative quality, i.e. ranking several models (the lower the score, the better the model). It comes here with a color code (red > yellow > green > blue), which is derived from a z-score calculation and indicates the absolute quality.


Scores for all residue pairs Download




[creation date: Sep-08-2016]