Protein sequence
Chain A:
EEETRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNLVQNFQMKHEVLCRWILSVKKNXRKNVAXHNWRHAFNTAQCMFAALKAGKIQNKLTDLEILALLIAALSHDLDHPGVSNQFLINTNSELALMXNDESVLEHHHFDQCLMILNSPGNQILSGLSIEEXKTTLKIIKQAILATDLALXIKRRGEFFELIRKNQFNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELVATEFFDQGDRERKELNIEPTDLMNREKKNKIPSMQVGFIDAICLQLXEALTHVSEDCFPLLDGCRKNRQKWQALAE

Docking Ligand Ranking
De NovoRankLigand NameSCORESCORE
RB_PEN
SCORE
NORM_HEVATOMS
SCORE
NORM_CRT_HEVATOMS
SCORE
NORM_WEIGHT
SCORE
NORM_CRT_WEIGHT
SCORE
RB_PEN_NORM_CRT_HEVATOMS
SCORE
NORM_CONTACT
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30000002451-20-20-1.17647-7.77822-0.0908166-3.31188-7.77822-inf
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250000000349-20-20-1-7.36806-0.0762602-3.12454-7.36806-inf
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270000000138-20-20-1.81818-8.99289-0.133145-3.76237-8.99289-inf
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340000002708-20-12-1-7.36806-0.074011-3.09351-4.42084-inf
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376688-20-16-0.645161-6.36663-0.0464462-2.64852-5.0933-inf
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412341-20-20-1.17647-7.77822-0.0853512-3.24407-7.77822-inf
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683387-20-20-1-7.36806-0.0759515-3.12032-7.36806-inf
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812362-20-20-0.8-6.8399-0.0600006-2.88451-6.8399-inf
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1000000007014-20-20-0.909091-7.13766-0.0674878-2.99982-7.13766-inf
1010000006628-20-18-0.869565-7.03268-0.0632147-2.93512-6.32941-inf
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1060000005588-20-16-2.5-10-0.18164-4.17276-8-inf
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1190000003621-20-18-1.11111-7.63143-0.0846654-3.23536-6.86829-inf
1200000003512-20-20-2.22222-9.615-0.170727-4.08747-9.615-inf
1210000003385-20-16-1.53846-8.50581-0.118917-3.62328-6.80465-inf
1220000003049-20-20-1.42857-8.29827-0.101939-3.44191-8.29827-inf
1230000002835-20-12-0.999998-7.36805-0.0740109-3.09351-4.42083-inf
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1250000002780-20-18-1.66667-8.7358-0.123352-3.66777-7.86222-inf
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13430-20-18-1.42857-8.29827-0.104078-3.46582-7.46844-inf
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148201-20-18-1.42857-8.29827-0.100881-3.42996-7.46844-inf
149204-20-16-1.53846-8.50581-0.112273-3.55449-6.80465-inf
150213-20-20-1.25-7.93701-0.090768-3.31129-7.93701-inf
151214-20-20-1.25-7.93701-0.090768-3.31129-7.93701-inf
152233-20-20-1.11111-7.63143-0.0839194-3.22582-7.63143-inf
153241-20-14-0.740741-6.66667-0.0531361-2.77002-4.66667-inf
154246-20-16-0.833333-6.93361-0.0616599-2.91086-5.54689-inf
155247-20-16-0.833333-6.93361-0.061279-2.90485-5.54689-inf
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184437-20-20-0.952381-7.2492-0.0693448-3.02708-7.2492-inf
185438-20-20-0.952381-7.2492-0.0693448-3.02708-7.2492-inf
186439-20-20-0.952381-7.2492-0.070328-3.04132-7.2492-inf
187440-20-20-0.952381-7.2492-0.0698329-3.03417-7.2492-inf
188441-20-18-0.952381-7.2492-0.0688634-3.02006-6.52428-inf
189449-20-20-1.42857-8.29827-0.104078-3.46582-8.29827-inf
190450-20-20-2.85714-10.4552-0.208155-4.36666-10.4552-inf
191458-20-20-1.42857-8.29827-0.107436-3.5027-8.29827-inf
192475-20-16-0.8-6.8399-0.0569168-2.83422-5.47192-inf
193477-20-20-0.869565-7.03268-0.0663702-2.98317-7.03268-inf
194490-20-12-0.869565-7.03268-0.0609181-2.89914-4.21961-inf
195511-20-18-1-7.36806-0.072638-3.07427-6.63126-inf
196512-20-20-1-7.36806-0.072638-3.07427-7.36806-inf
197514-20-16-1.33333-8.1096-0.0979355-3.39625-6.48768-inf
198515-20-18-0.952381-7.2492-0.0710985-3.05239-6.52428-inf
199518-20-20-1-7.36806-0.0753864-3.11256-7.36806-inf
200524-20-14-1.05263-7.49512-0.0780628-3.14897-5.24659-inf

Number of generations (max=50):
Population size per generation(max=40):
Property name Minimal value Maximal value Weight in final score
Molecular weight
XLogp
Number of atoms (H excluded)
Number of h-donors
Number of h-acceptors
Polar solvent accessible surface area
Volume
Area
Molecular Refractivity
Radius of gyration
Length
Moment of inertia Ixx
Moment of inertia Iyy
Number of rotatable bonds
Number of rings
Number of aromatic rings
Lipinski rules
(+ maximal number of atoms)
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