Biology Reference
In-Depth Information
Table 4.1
Comparison of worst- (LOW) and best-case (HIGH) results for each ligand obtained by
various software
packages
NAD+
FMN
Low
High
Low
High
Ligand
MCC
F-m
MCC
F-m
MCC
F-m
MCC
F-m
Geometry based models
CASTp
3CIN
1BMDA
2Q1U
1EE9
1XAH
1NHG
1SBY
1 AD3
1EJ2
1Y3I
3Q3C
2NAD
1SBY
1EJ2
1KOL
1NHG
1Y3I
3P2OB
1ZJZ
1VM6
2JHFA
1GIQB
3ABI
3P2OB
1EBF
3JSA
3LN3
2PH5
1 H94
1GIQA
1UWK
2VZJ
3B9O
1SBZ
1DNL
2WQF
2Z6I
2H0U
3RHF
3F2V
3H4O
2VZJ
1SBZ
2WQF
3B9O
1DNL
2H0U
3H4O
2Z6I
3F2V
3RH7
1YKG
2BYC
1B1C
2IYG
2BYC
2HFN
2 KB2
1F4P
3BW2
2XOD
1OBO
1B1C
2IYG
1RLJ
2D5M
2PR5
2BYCA
1YKG
3A3B
2NZL
3MGI
2PH5
1LJ8
1BMDA
1BMDB
1EE9
1OBB
3LN3
1TOX
PocketFinder
1GIQA
1EE9
1EJ2
1NHG
3A3B
3F2V
2Z6D
2Z6D
3LN3
1U8X
1ZJZ
1EJ2
3B9O
3A3B
1OBO
1OBO
2WN7
1Y3I
1NHG
1OMO
1SBZ
2Z6I
2PR5
1RLJ
1DHS
2WN7
1OMO
2NAD
2Z6I
2WQF
1RLJ
2PR5
1EE9
3KET
1SBY
1ZJZ
2WQF
1SBZ
3CB0B
1USC
1U8X
1KYQ
2NAD
1SBY
1MVL
1NOX
1USC
1B1C
1Y3I
1TOXA
1FDVA
1UWK
1NOX
1MVL
1B1C
2R6V
1TOXA
2JHFB
3ABI
1FDVA
3H4O
2H0U
1I0R
2IYG
3KET
3P2OB
1HDR
3ABI
2H0U
3H4O
1EJE
2D5M
1KYQ
1EVJ
1UWK
1JQ5
1QZU
1QZU
2R6V
3CB0B
1UWK
2Q1U
2JHFB
1SBY
2JHFA
3ABI
3CIN
1GR0
2PLA
1VM6
1UWK
2Q1U
1SBY
2JHFB
2JHFA
3CIN
1GR0
3ABI
1VM6
2PLA
Q SiteFinder
3HL0
2GWL
1BMDB
1BMDA
1U8X
1XAH
3JSA
1DHS
1KYQ
1EBF
3MGIB
1EJ2
1 AD3
2G5C
3P2OA
3P2OB
1 H94
1LJ8
2I2F
1EE9
1I0R
1SBZ
2WQF
1NOX
3CB0B
3H4O
2Z6I
1USC
1VYR
2 KB2
1VYR
3B9O
3F2V
2VZJ
2 KB2
2H0U
1DNL
1MVL
1QZU
1YKG
2IYG
3A3B
2PR5
1RLJ
1B1C
1KBJ
1OBO
2BYCA
2Z6D
3P7NB
2IYG
3A3B
1RLJ
2PR5
1B1C
1OBO
1KBJ
2Z6D
2BYCA
3P7NB
Knowledge-based models
ConSurf
1V9L
1V9L
1EVZ
1EVZ
1V9L
2PH5
1YKG
1YKG
1K6X
1K6X
1HDR
1HDR
1K6X
1SBY
2BYC
2BYC
2JHFA
2JHFA
1K4MA
1XAH
2JHFA
2JHFA
1B1C
1B1C
3KET
3KET
1ZBQ
1ZBQ
3KET
1 H94
2IYG
2IYG
2PH5
2PH5
1XAH
1EVJ
2PH5
1FDVA
2BYC
2BYC
1 H94
1 H94
1EVJ
1K4MA
1 H94
1 AD3
2HFN
2HFN
1 AD3
1 AD3
1Y3I
1Y3I
1 AD3
3KET
2 KB2
2 KB2
1KYQ
1KYQ
1EJ2
2 G76
1KOL
2 G76
1KYQ
1KYQ
1F4P
1F4P
1OG3
2GR9
1OG3
2I2F
1P1H
1OG3
2GR9
2GR9
1OG3
3BW2
2XOD
3BW2
2XOD
2GR9
FOD
2GR9
1UWK
1KQN
2GWL
1N9L
2D5M
1EJE
1VYR
(continued)
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