! Chothia canonical definitions for KabatMan. ! ! V1.0 09.05.95 Automatic assigments from acaca 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 Removed ?14/F following discussion with ACRM ! Exemplar 2bjl had been superseded by 4bjl but ! the CDR-L1 loop is 13 not 14 as required. ! MC 30/11/2012 Replaced exemplar 2mcgA of ?14E (appears wrong) ! with 1mcwW ! MC 30/11/2012 Replaced exemplar 1mcwB of ?14C (appears wrong) ! with 2mcg1 ! MC 30/11/2012 Duplicated ?14/C to ?14/D (apparently missing) and ! assigned exemplar 1mcwM ! MC 30/11/2012 Exemplar 1jel of ?16/C has been superseded by 2jel ! MC 30/11/2012 Exemplar 2hfl of 3/8A has been superseded by 1yqv ! (occurs also in abm and strict) ! CHOTHIANUMBERING !!!!!!!!!!!!!!!!!!!!!!!!!!!! CDR-L1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! LOOP L1 1/10A 10 SOURCE [2fbj] L2 I L4 L L23 C L25 A L29 V L33 LM L35 W L71 Y L88 C L90 Q L93 SYR LOOP L1 2/11A 11 SOURCE [1ikf] L2 I L4 ML L23 C L25 A L26 S L28 NSDE L29 IV L33 LV L34 AGNSHVF L35 W L36 YLF L46 LRV L49 YHFK L51 ATGV L71 YF L90 HQ L93 GSNTREA LOOP L1 3/17A 17 SOURCE [1hil] L2 I L4 M L23 C L29 L L33 L L35 W L71 YF L90 N L93 NS LOOP L1 4/16A 16 SOURCE [1rmf] L2 V L4 ML L23 C L25 SP L26 SN L27 Q L29 LI L30A HL L30B S L30C NDS L30D G L32 YS L33 LF L34 HEN L35 W L51 V L71 F L88 C L90 Q L92 TS L93 H LOOP L1 5/13A 13 SOURCE [2fb4] L2 S L4 L L23 C L25 G L29 ND L30 I L30A G L33 V L35 W L51 DN L71 A L88 C L90 A L93 VD LOOP L1 6/14A 14 SOURCE [7fab] L2 S L4 L L23 C L25 G L26 S L28 S L29 N L30 I L31 H L32 N L33 V L35 W L48 I L51 N L66 K L71 A L88 C L90 S L93 R LOOP L1 7/14B 14 SOURCE [1gig] L2 AQ L4 V L23 C L26 S L28 G L29 AT L30 V L31 N L32 YH L33 A L35 W L48 I L51 T L66 L L71 A L88 C L90 L L93 SN LOOP L1 ?/11B 11 SOURCE [8fab] L4 L L23 C L25 A L26 N L28 L L29 P L33 A L34 Y L35 W L36 Y L46 M L49 Y L51 D L71 V L90 A L93 N LOOP L1 ?/12A 12 SOURCE [1fig] L2 N L4 L L23 C L25 A L29 V L33 L L35 W L71 Y L88 C L90 Q L91 Y L93 G LOOP L1 ?/14C 14 !SOURCE [1mcwB] SOURCE [2mcg1] L2 S L4 L L23 C L26 T L28 S L29 D L30 V L31 N L32 Y L33 V L35 W L48 I L51 V L66 K L71 A L88 C L90 S L93 G LOOP L1 ?/14D 14 SOURCE [1mcwM] L2 S L4 L L23 C L26 T L28 S L29 D L30 V L31 N L32 Y L33 V L35 W L48 I L51 V L66 K L71 A L88 C L90 S L93 G LOOP L1 ?/14E 14 !SOURCE [2mcgA] SOURCE [1mcwW] L2 S L4 L L23 C L26 H L28 S L29 D L30 V L31 N L32 S L33 I L35 W L48 I L51 V L66 K L71 A L88 C L90 S L93 S !LOOP L1 ?/14F 14 !SOURCE [2bjlA] !L2 S !L4 L !L23 C !L26 S !L28 S !L29 N !L30 I !L31 N !L32 S !L33 V !L35 W !L48 I !L51 D !L66 K !L71 A !L88 C !L90 A !L93 D LOOP L1 ?/15A 15 SOURCE [1acy] L2 I L4 ML L23 C L24 R L25 A L26 S L28 S L29 V L30 DS L30C G L33 MI L34 H L35 W L51 A L71 F L88 C L90 QH L92 NR L93 E LOOP L1 ?/15B 15 SOURCE [1ggi] L2 I L4 L L23 C L24 R L25 A L26 S L28 S L29 V L30 D L30C G L33 L L34 H L35 W L51 S L71 F L88 C L90 Q L92 N L93 E LOOP L1 ?/16C 16 !SOURCE [1jel] SOURCE [2jel] L2 V L4 M L23 C L25 S L26 S L27 Q L29 I L30A H L30B G L30C N L30D G L32 Y L33 L L34 E L35 W L51 I L71 F L88 C L90 Q L92 S L93 H !!!!!!!!!!!!!!!!!!!!!!!!!!!! CDR-L2 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! LOOP L2 1/7A 7 SOURCE [1lmk] L23 C !!!!!!!!!!!!!!!!!!!!!!!!!!!! CDR-L3 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! LOOP L3 1/9A 9 SOURCE [1tet] L2 ILV L3 VQLE L4 ML L28 SNDTE L30 DLYVISNFHGT L31 SNTKG L32 FYNAHSR L33 MLVIF L88 C L89 QSGFL L90 QNH L91 NFGSRDHTYV L92 NYWTSRQHAD L93 ENGHTSRA L94 DYTVLHNIWPS L95 P L96 PLYRIWF L97 T L98 F LOOP L3 2/9B 9 SOURCE [2fbj] L2 I L4 L L3 V L28 S L31 S L32 S L33 L L88 C L89 Q L90 Q L91 W L92 T L93 Y L94 P L95 L L96 I L97 T L98 F LOOP L3 3/8A 8 !SOURCE [2hfl] SOURCE [1yqv] L36 Y L88 C L89 Q L90 Q L91 W L98 F LOOP L3 4/9C 9 SOURCE [7fab] L2 QS L4 VL L3 IV L28 GS L30 VI L31 NH L32 HN L33 AV L88 C L89 AQ L90 LS L91 WY L92 SD L93 NR L94 NS L95 HL L96 WR L97 IV L98 F LOOP L3 5/11A 11 SOURCE [2fb4] L4 L L33 V L88 C L89 A L90 A L92 DN L97 VG L98 F LOOP L3 ?/7A 7 SOURCE [1dfb] L32 W L34 A L36 Y L88 C L90 Q L91 Y L98 F LOOP L3 ?/8B 8 SOURCE [1eap] L36 Y L88 C L89 L L90 Q L91 Y L98 F LOOP L3 ?/9D 9 SOURCE [1gig] L2 A L4 V L3 V L28 G L30 V L31 N L32 Y L33 A L88 C L89 A L90 L L91 W L92 Y L93 S L94 N L95 HL L96 W L97 V L98 F LOOP L3 ?/9E 9 SOURCE [1fig] L2 N L4 L L3 V L28 S L30 S L31 T L32 Y L33 L L88 C L89 Q L90 Q L91 Y L92 S L93 G L94 Y L95 P L96 L L97 T L98 F LOOP L3 ?/9F 9 SOURCE [8fab] L4 L L3 E L28 L L30 N L31 Q L32 Y L33 A L88 C L89 Q L90 A L91 W L92 D L93 N L94 S L95 A L96 S L97 I L98 F LOOP L3 ?/10A 10 SOURCE [1baf] L4 L L32 Y L36 Y L88 C L89 Q L90 Q L91 W L92 S L95A P L96 I L97 T L98 F LOOP L3 ?/10B 10 SOURCE [1mcwB] L4 L L32 Y L36 Y L88 C L89 S L90 S L91 Y L92 E L95A N L96 F L97 V L98 F LOOP L3 ?/10C 10 SOURCE [2MCGA] L4 L L32 Y L36 Y L88 C L89 S L90 S L91 Y L92 E L95A N L96 F L97 V L98 F LOOP L3 ?/10D 10 SOURCE [1mcwA] L4 L L32 S L36 F L88 C L89 M L90 S L91 Y L92 L L95A S L96 F L97 V L98 F !!!!!!!!!!!!!!!!!!!!!!!!!!!! CDR-H1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! LOOP H1 1/10A 10 SOURCE [2fbj] H2 VIG H4 LV H20 LIMV H22 C H24 TAVGS H26 G H29 IFLS H32 IHYFTNCED H33 YAWGTLV H34 IVMW H35 HENQSYT H36 W H48 IMVL H51 LIVTSN H69 ILFMV H78 ALVYF H80 LM H90 YF H92 C H94 RKGSHN H102 YHVISDG LOOP H1 2/11A 11 SOURCE [1baf] H2 V H20 L H22 C H24 V H26 G H29 I H31A D H33 A H34 W H36 W H48 M H50 Y H53 Y H69 I H76 N H78 F H80 L H92 C H96 W LOOP H1 3/12A 12 SOURCE [1ggi] H20 L H22 C H24 VF H26 G H28 S H29 IL H34 WV H36 W H48 ML H53 YW H78 FV H80 IL H92 C LOOP H1 ?/10C 10 SOURCE [1nbv] H2 V H4 P H20 L H22 C H24 A H26 G H29 F H32 N H33 A H34 M H35 N H36 W H48 V H51 I H69 I H78 L H80 L H90 Y H92 C H94 R H102 Y LOOP H1 ?/10D 10 SOURCE [1fig] H2 V H4 L H20 I H22 C H24 A H26 G H29 L H32 H H33 N H34 I H35 N H36 W H48 I H51 I H69 L H78 L H80 M H90 Y H92 C H94 R H102 Y !!!!!!!!!!!!!!!!!!!!!!!!!!!! CDR-H2 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! LOOP H2 1/9A 9 SOURCE [1gig] H47 WY H51 IMV H55 G H59 YL H69 IM H71 RKV LOOP H2 2/10A 10 SOURCE [1bbd] H33 YWGATL H47 WY H50 REWYGQVLNKA H51 LI H52 DLNSY H53 AGYSKTN H54 NSTKDG H56 YREDGVSA H58 KNTSDRGFY H59 Y H69 IFLM H71 VAL H78 ALV LOOP H2 3/10B 10 SOURCE [1igc] H33 AGVYW H47 W H50 GTYFIEV H51 IV H52 SFWH H53 DGSN H54 SG H56 SYTNDR H58 GYHFDN H59 Y H69 I H71 R H78 L LOOP H2 4/12A 12 SOURCE [1mcp] H47 W H50 FA H51 IS H59 Y H69 IV H71 R H78 L LOOP H2 ?/10E 10 SOURCE [6fab] H33 G H47 W H50 Y H51 N H52 N H53 G H54 N H56 Y H58 A H59 Y H69 L H71 V H78 A LOOP H2 ?/10F 10 SOURCE [1fig] H33 N H47 W H50 N H51 I H52 D H53 Y H54 Y H56 G H58 N H59 F H69 L H71 V H78 L LOOP H2 ?/12B 12 SOURCE [4fab] H47 W H50 RQ H51 I H59 Y H69 I H71 R H78 LV