! Chothia canonical definitions for KabatMan.
!
! V1.0  09.05.95 Strict Chothia definitions from the papers By: ACRM
!
! Each class is defined with the keyword LOOP followed by the loop ID,
! class name and length. This is then followed by the key residue numbers
! paired with the allowed amino acid types.
! Blank lines and lines starting with a ! or # are ignored
! The SOURCE keyword may follow the LOOP keyword, but is ignored by
! KabatMan.
!
! Note that the lengths of the loops are as defined by AbM since the
! Kabat numbering for H1 fails to place the inserted residues within
! the Chothia loop...
!
! This indicates that the numbering used is Chothia numbering not Kabat
! numbering. This keyword is only understood from KabatMan V2.16, so
! don't use this file with earlier versions!!
!
! MC 30/11/2012    Exemplar 2hfl of 3 has been superseded by 1yqv
!                  (occurs also in auto and abm)
! MC 26/6/2013     Replaced [7fab/3hfm] for H1 1' 10 with [3hfm/7fab]
!                  then static loader puts 3hfm in exemplar_source_id
!
CHOTHIANUMBERING

!!!!!!!!!!!!!!!!!!!!!!!!!!!!    CDR-L1   !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
LOOP L1 1 10
SOURCE [2fbj]
L2  I
L25 A
L29 VIL
L33 LM
L71 YF

LOOP L1 2 11
SOURCE  [1ikf]
L2  I
L25 A
L29 VIL
L33 LV
L71 YF

LOOP L1 3 17   
SOURCE [1hil]
L2   I
L25  S
L29  VIL
L33  L
L71  YF

LOOP L1 4 16   
SOURCE [1rmf] 
L2   V
L25  S
L29  L
L33  L
L71  F

LOOP L1 5 13  
SOURCE [2fb4] This is a lambda Ab; later papers use class 5 for a 15-residue kappa
L25 G
L30 I
L33 V
L71 A

LOOP L1 6 14   
SOURCE  [7fab] This is a lambda Ab; later papers use class 6 for a 12-residue kappa
L25  G
L30  I
L33  V
L71  A

LOOP L1 7 14
SOURCE [1gig]
L25  S
L30  V
L33  A
L71  A

LOOP L1 8 12
SOURCE [1fig] Tomlinson et al (1995) EMBO J 14,4628-4638 number this as class 6
L2 N
L25 A
L29 V
L33 L
L71 Y


!!!!!!!!!!!!!!!!!!!!!!!!!!!!    CDR-L2   !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
LOOP L2 1 7     
SOURCE  [1lmk]
L48 IV
L64 G

!!!!!!!!!!!!!!!!!!!!!!!!!!!!    CDR-L3   !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
LOOP L3 1 9     
SOURCE [1tet]
L90 QNH
L95 P

LOOP L3 2 9
SOURCE [2fbj]
L94 P
L95 L

LOOP L3 3 8
!SOURCE [2hfl]
SOURCE [1yqv]
L90 Q
L96 P

LOOP L3 4 9
SOURCE No residues specified by Chothia [7fab]
L90 LS
L94 NS
L95 HL

LOOP L3 5 11
SOURCE [2fb4]
L94 DNG



!!!!!!!!!!!!!!!!!!!!!!!!!!!!    CDR-H1   !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
LOOP H1 1 10
SOURCE [2fbj]
H24 TAVGS
H26 G
H27 FYTG
H29 FLIV
H34 MIVLT
H94 RKTA

LOOP H1 1' 10
SOURCE [3hfm/7fab]
H26 G
H27 SD
H29 FI
H34 YW
H94 RN

LOOP H1 2 11
SOURCE [1baf]
H24 VF
H26 G
H27 GFY
H29 IL
H34 CW
H96 HR

LOOP H1 3 12
SOURCE [1ggi]
H24  VFG
H26  G
H27  FGD
H29  ILV
H34  WV
H94  HR


!!!!!!!!!!!!!!!!!!!!!!!!!!!!    CDR-H2   !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
LOOP H2 1 9
SOURCE [1gig]
H55 GD
H71 RKVI

LOOP H2 2 10
SOURCE [1bbd]
H52A PTA
H55 GS
H71 ALT

LOOP H2 3 10
SOURCE [1igc]
H52A DP
H54 GNDS
H55 GS
H71 R

LOOP H2 4 12
SOURCE [1mcp]
H54 KS
H55 Y
H71 R