'## DATA LIST FOR SUPERPOSITION OF MOLECULES USED IN THE PAPER OF FKCOMBU (2014).##
## provided by Takeshi Kawabata (kawabata@protein.osaka-u.ac.jp)                ##
#COMMAND '/home/takawaba/work/kcombu/src/fpython/mkliginfo.py -L THR.liglist -of THR_ligands.txt -proname THR'
#DATE    '2014/05/01 14:47:48'
#[1:receptor_protein_name]
#[2:ligand_filename] [3:PDB_ID] [4:ligand 3-letter name] [5:ligand author_asym_id(chain_id)]
#[6:ligand author_seq_id] [7:ligand label_asym_id]
#[8:protein_filename] [9:protein author_asym_id(chain_id)] [10:protein label_asym_id]
#[11:Nheavyatom] [12:Nrotbond]
THR MDL_1ad8_1_E_1.pdb 1ad8 MDL H  250 E 1ad8_1_B_1.pdb H B 40 13
THR 163_1o0d_1_D_1.pdb 1o0d 163 H  248 D 1o0d_1_B_1.pdb H B 33 12
THR 9MQ_4ayv_1_D_1.pdb 4ayv 9MQ B 1258 D 4ayv_1_B_1.pdb B B 43 15
THR 10P_3qto_1_E_1.pdb 3qto 10P H 1001 E 3qto_1_B_1.pdb H B 27 8
THR 64U_3dux_1_D_1.pdb 3dux 64U H  901 D 3dux_1_B_1.pdb H B 27 8
THR T16_1a3e_1_D_1.pdb 1a3e T16 H    1 D 1a3e_1_B_1.pdb H B 35 17
THR DI2_1lhd_1_D_1.pdb 1lhd DI2 H  400 D 1lhd_1_B_1.pdb H B 31 14
THR RA8_1ypl_1_F_1.pdb 1ypl RA8 H 5555 F 1ypl_1_B_1.pdb H B 34 16
THR 162_1nzq_1_D_1.pdb 1nzq 162 H  248 D 1nzq_1_B_1.pdb H B 33 12
THR IH3_1c4y_1_D_1.pdb 1c4y IH3 2  370 D 1c4y_1_B_1.pdb 2 B 41 8
THR CCR_1ypk_1_D_1.pdb 1ypk CCR H 5555 D 1ypk_1_B_1.pdb H B 42 14
THR N12_2ank_1_D_1.pdb 2ank N12 H  501 D 2ank_1_A_1.pdb H A 34 13
THR IGN_1k21_1_G_1.pdb 1k21 IGN H  999 G 1k21_1_B_1.pdb H B 31 14
THR 34P_2feq_1_D_1.pdb 2feq 34P H    1 D 2feq_1_B_1.pdb H B 32 12
THR GR3_1awh_1_E_1.pdb 1awh GR3 B    1 E 1awh_1_B_1.pdb B B 39 9
THR DFK_3e6p_1_C_1.pdb 3e6p DFK H  301 C 3e6p_1_B_1.pdb H B 30 13
THR 19U_2zfp_1_F_1.pdb 2zfp 19U H  801 F 2zfp_1_B_1.pdb H B 22 7
THR C5M_2c8x_1_G_1.pdb 2c8x C5M B 1251 G 2c8x_1_B_1.pdb B B 35 11
THR 91U_3f68_1_D_1.pdb 3f68 91U H  901 D 3f68_1_B_1.pdb H B 30 10
THR 3SP_2fes_1_D_1.pdb 2fes 3SP H    1 D 2fes_1_B_1.pdb H B 32 12
THR 37U_2zdv_1_G_1.pdb 2zdv 37U H  501 G 2zdv_1_B_1.pdb H B 27 8
THR C4M_2c93_1_G_1.pdb 2c93 C4M B 1251 G 2c93_1_B_1.pdb B B 27 8
THR DI4_1lhf_1_D_1.pdb 1lhf DI4 H  400 D 1lhf_1_B_1.pdb H B 32 15
THR 16U_3dt0_1_D_1.pdb 3dt0 16U H  901 D 3dt0_1_B_1.pdb H B 23 8
THR I50_2r2m_1_D_1.pdb 2r2m I50 B 5000 D 2r2m_1_B_1.pdb B B 30 12
THR 701_2jh0_1_D_1.pdb 2jh0 701 D 1247 D 2jh0_1_B_1.pdb D B 29 8
THR M41_3rmn_1_E_1.pdb 3rmn M41 H    1 E 3rmn_1_B_1.pdb H B 35 12
THR 062_1zrb_1_C_1.pdb 1zrb 062 A 1001 C 1zrb_1_A_1.pdb A A 35 7
THR 06P_3qtv_1_E_1.pdb 3qtv 06P H 1001 E 3qtv_1_B_1.pdb H B 27 8
THR S04_3rmo_1_E_1.pdb 3rmo S04 H    1 E 3rmo_1_B_1.pdb H B 39 13
THR BM2_1bmm_1_D_1.pdb 1bmm BM2 H    1 D 1bmm_1_B_1.pdb H B 35 14
THR 32U_2zda_1_G_1.pdb 2zda 32U H 1000 G 2zda_1_B_1.pdb H B 29 9
THR 22U_2zc9_1_F_1.pdb 2zc9 22U H 1501 F 2zc9_1_B_1.pdb H B 27 8
THR SN3_2gde_1_E_1.pdb 2gde SN3 H  401 E 2gde_1_B_1.pdb H B 44 17
THR T15_3c1k_1_C_1.pdb 3c1k T15 A  403 C 3c1k_1_A_1.pdb A A 38 13
THR S33_3u9a_1_E_1.pdb 3u9a S33 H    1 E 3u9a_1_B_1.pdb H B 47 17
THR 99P_3p17_1_E_1.pdb 3p17 99P H 1001 E 3p17_1_B_1.pdb H B 26 8
THR P97_3sha_1_E_1.pdb 3sha P97 H    1 E 3sha_1_B_1.pdb H B 27 8
THR 02P_3qx5_1_I_1.pdb 3qx5 02P H    5 I 3qx5_1_B_1.pdb H B 28 8
THR 9MX_4ayy_1_D_1.pdb 4ayy 9MX B 1258 D 4ayy_1_B_1.pdb B B 41 12
THR P05_3sv2_1_E_1.pdb 3sv2 P05 H    1 E 3sv2_1_B_1.pdb H B 26 8
THR 21U_2zgb_1_F_1.pdb 2zgb 21U H 1801 F 2zgb_1_B_1.pdb H B 24 8
THR GR4_1awf_1_D_1.pdb 1awf GR4 H    1 D 1awf_1_B_1.pdb H B 52 13
THR 98P_3qwc_1_H_1.pdb 3qwc 98P H 2001 H 3qwc_1_B_1.pdb H B 28 8
THR 29U_2zgx_1_F_1.pdb 2zgx 29U H 1601 F 2zgx_1_B_1.pdb H B 24 8
THR T76_1nt1_1_C_1.pdb 1nt1 T76 A  247 C 1nt1_1_A_1.pdb A A 35 1
THR 165_1sb1_1_F_1.pdb 1sb1 165 H 1001 F 1sb1_1_B_1.pdb H B 39 11
THR B01_3shc_1_G_1.pdb 3shc B01 H    3 G 3shc_1_B_1.pdb H B 27 8
THR 23U_3dhk_2_D_1.pdb 3dhk 23U H 1601 D 3dhk_2_B_1.pdb H B 33 9
THR C7M_2c8w_1_E_1.pdb 2c8w C7M B 1249 E 2c8w_1_B_1.pdb B B 37 14
THR 157_1qhr_1_D_1.pdb 1qhr 157 B  500 D 1qhr_1_B_1.pdb B B 16 7
THR DP7_1lhc_1_D_1.pdb 1lhc DP7 H  400 D 1lhc_1_B_1.pdb H B 33 15
THR M31_3rml_1_E_1.pdb 3rml M31 H    1 E 3rml_1_B_1.pdb H B 32 11
THR 121_1ghy_1_I_1.pdb 1ghy 121 H  246 I 1ghy_1_B_1.pdb H B 19 4
THR 1TS_3utu_1_D_1.pdb 3utu 1TS H  901 D 3utu_1_B_1.pdb H B 47 17
THR T29_1a3b_1_D_1.pdb 1a3b T29 H    1 D 1a3b_1_B_1.pdb H B 34 16
THR 895_2jh5_1_F_1.pdb 2jh5 895 D 1249 F 2jh5_1_B_1.pdb D B 28 8
THR BM9_1bmn_1_D_1.pdb 1bmn BM9 H    1 D 1bmn_1_B_1.pdb H B 37 11
THR M34_3t5f_1_E_1.pdb 3t5f M34 H    1 E 3t5f_1_B_1.pdb H B 36 13
THR 53U_2zff_2_F_1.pdb 2zff 53U H 2001 F 2zff_2_B_1.pdb H B 26 8
THR 2CE_2bvs_1_D_1.pdb 2bvs 2CE H 1246 D 2bvs_1_A_1.pdb H A 37 19
THR 120_1ghv_1_E_1.pdb 1ghv 120 H  246 E 1ghv_1_B_1.pdb H B 19 4
THR GAH_1xm1_1_C_1.pdb 1xm1 GAH A 1001 C 1xm1_1_A_1.pdb A A 55 25
THR 13U_2zhe_1_F_1.pdb 2zhe 13U H  501 F 2zhe_1_B_1.pdb H B 30 9
THR 0KV_1ca8_1_F_1.pdb 1ca8 0KV B  248 F 1ca8_1_B_1.pdb B B 35 12
THR 696_1o2g_1_E_1.pdb 1o2g 696 H  410 E 1o2g_1_B_1.pdb H B 25 5
THR S00_3rm2_1_E_1.pdb 3rm2 S00 H    1 E 3rm2_1_B_1.pdb H B 39 13
THR MIU_1w7g_1_D_1.pdb 1w7g MIU H  300 D 1w7g_1_A_1.pdb H A 34 14
THR BT1_1d3t_1_G_1.pdb 1d3t BT1 B  400 G 1d3t_1_B_1.pdb B B 39 11
THR 00R_1d6w_1_E_1.pdb 1d6w 00R A  380 E 1d6w_1_A_1.pdb A A 37 8
THR 501_1zgv_1_C_1.pdb 1zgv 501 A 1001 C 1zgv_1_A_1.pdb A A 24 6
THR 14A_1t4v_1_D_1.pdb 1t4v 14A H 1411 D 1t4v_1_B_1.pdb H B 27 12
THR SHY_1vzq_1_D_1.pdb 1vzq SHY H 1256 D 1vzq_1_A_1.pdb H A 33 4
THR 27U_2zhq_1_F_1.pdb 2zhq 27U H  501 F 2zhq_1_B_1.pdb H B 28 9
THR BAB_1c1v_1_G_1.pdb 1c1v BAB H  410 G 1c1v_1_B_1.pdb H B 25 8
THR 5CB_2bvx_1_D_1.pdb 2bvx 5CB H 1246 D 2bvx_1_A_1.pdb H A 32 9
THR T42_1ai8_1_D_1.pdb 1ai8 T42 H    2 D 1ai8_1_B_1.pdb H B 42 16
THR I11_1uvs_1_C_1.pdb 1uvs I11 H   11 C 1uvs_1_B_1.pdb H B 32 12
THR AZL_1ae8_1_E_1.pdb 1ae8 AZL H  600 E 1ae8_1_B_1.pdb H B 30 15
THR 51U_2zf0_1_F_1.pdb 2zf0 51U H  501 F 2zf0_1_B_1.pdb H B 27 8
THR 110_1g37_1_C_1.pdb 1g37 110 A  900 C 1g37_1_A_1.pdb A A 40 14
THR 894_2jh6_1_F_1.pdb 2jh6 894 D 1249 F 2jh6_1_B_1.pdb D B 28 8
THR F25_2cn0_1_D_1.pdb 2cn0 F25 H 1246 D 2cn0_1_A_1.pdb H A 32 7
THR M32_3rmm_1_E_1.pdb 3rmm M32 H    1 E 3rmm_1_B_1.pdb H B 33 11
THR 00P_1d9i_1_E_1.pdb 1d9i 00P A  380 E 1d9i_1_A_1.pdb A A 33 8
THR 0NW_4e7r_1_H_1.pdb 4e7r 0NW H  302 H 4e7r_1_C_1.pdb H C 40 11
THR DI5_1lhg_1_D_1.pdb 1lhg DI5 H  400 D 1lhg_1_B_1.pdb H B 30 13
THR CDD_1mue_1_D_1.pdb 1mue CDD B  248 D 1mue_1_B_1.pdb B B 32 9
THR B03_3si3_1_I_1.pdb 3si3 B03 H    5 I 3si3_1_B_1.pdb H B 26 8
THR UIB_1ypj_1_D_1.pdb 1ypj UIB H 5555 D 1ypj_1_B_1.pdb H B 33 5
THR S54_3rm0_1_F_1.pdb 3rm0 S54 H    2 F 3rm0_1_B_1.pdb H B 35 12
THR N5N_4ax9_1_F_1.pdb 4ax9 N5N H 1246 F 4ax9_1_A_1.pdb H A 39 14
THR 81A_1t4u_1_D_1.pdb 1t4u 81A H 4815 D 1t4u_1_B_1.pdb H B 32 11
THR 130_1gj5_1_E_1.pdb 1gj5 130 H  410 E 1gj5_1_B_1.pdb H B 25 5
THR 45U_2zfq_1_F_1.pdb 2zfq 45U H  501 F 2zfq_1_B_1.pdb H B 27 9
THR B04_3si4_1_E_1.pdb 3si4 B04 H    1 E 3si4_1_B_1.pdb H B 27 8
THR 26U_2ziq_1_D_1.pdb 2ziq 26U H  701 D 2ziq_1_B_1.pdb H B 25 9
THR CDO_2anm_1_C_1.pdb 2anm CDO H 1001 C 2anm_1_A_1.pdb H A 33 12
THR C02_1ktt_1_D_1.pdb 1ktt C02 B    1 D 1ktt_1_B_1.pdb B B 30 6
THR DKK_3c27_1_D_1.pdb 3c27 DKK B 5000 D 3c27_1_B_1.pdb B B 31 13
THR UIP_1ype_1_F_1.pdb 1ype UIP H 5555 F 1ype_1_B_1.pdb H B 33 5
THR BZT_1d3d_1_G_1.pdb 1d3d BZT B  400 G 1d3d_1_B_1.pdb B B 38 9
THR 0BM_3tu7_1_D_1.pdb 3tu7 0BM H    1 D 3tu7_1_B_1.pdb H B 33 11
THR PRL_1bcu_1_D_1.pdb 1bcu PRL H  280 D 1bcu_1_B_1.pdb H B 16 0
THR BAH_1c1w_1_H_1.pdb 1c1w BAH H  410 H 1c1w_1_B_1.pdb H B 27 9
THR I25_2v3h_1_D_1.pdb 2v3h I25 H 1246 D 2v3h_1_A_1.pdb H A 31 11
THR S28_3rlw_1_E_1.pdb 3rlw S28 H    1 E 3rlw_1_B_1.pdb H B 32 11
THR ESI_1c5n_1_F_1.pdb 1c5n ESI H  522 F 1c5n_1_B_1.pdb H B 13 3
THR 132_1gj4_1_E_1.pdb 1gj4 132 H  410 E 1gj4_1_B_1.pdb H B 26 5
THR L17_1z71_1_C_1.pdb 1z71 L17 A 1001 C 1z71_1_A_1.pdb A A 33 9
THR 348_2cf9_1_D_1.pdb 2cf9 348 H 1247 D 2cf9_1_A_1.pdb H A 33 6
THR 33U_2zo3_1_D_1.pdb 2zo3 33U H 2501 D 2zo3_1_B_1.pdb H B 35 10
THR IH2_1c4v_1_E_1.pdb 1c4v IH2 2  370 E 1c4v_1_B_1.pdb 2 B 39 9
THR BLI_1jwt_1_B_1.pdb 1jwt BLI A  300 B 1jwt_1_A_1.pdb A A 34 9
THR ESH_2cf8_1_D_1.pdb 2cf8 ESH H 1246 D 2cf8_1_A_1.pdb H A 32 9
THR CDB_1mu8_1_D_1.pdb 1mu8 CDB B  248 D 1mu8_1_B_1.pdb B B 32 9
THR 4CP_2bvr_1_D_1.pdb 2bvr 4CP H 1246 D 2bvr_1_A_1.pdb H A 27 10
THR M4Z_4baq_1_E_1.pdb 4baq M4Z B 1287 E 4baq_1_B_1.pdb B B 33 13
THR DI3_1lhe_1_D_1.pdb 1lhe DI3 H  400 D 1lhe_1_B_1.pdb H B 33 15
THR 9MU_4az2_1_D_1.pdb 4az2 9MU B 1258 D 4az2_1_B_1.pdb B B 35 10
THR M18_3egk_2_D_1.pdb 3egk M18 H  601 D 3egk_2_B_1.pdb H B 28 11
THR BJA_3u98_1_E_1.pdb 3u98 BJA H    1 E 3u98_1_B_1.pdb H B 39 16
THR L86_1nm6_1_C_1.pdb 1nm6 L86 A  247 C 1nm6_1_A_1.pdb A A 36 2
THR BAI_1c1u_1_F_1.pdb 1c1u BAI H  410 F 1c1u_1_B_1.pdb H B 22 5
THR 170_1sl3_1_C_1.pdb 1sl3 170 A 1001 C 1sl3_1_A_1.pdb A A 37 10
THR 897_2uuk_1_F_1.pdb 2uuk 897 B 2250 F 2uuk_1_B_1.pdb B B 33 13
THR DFP_1p8v_1_F_1.pdb 1p8v DFP C  500 F 1p8v_1_C_1.pdb C C 10 4
THR NLI_3ldx_1_D_1.pdb 3ldx NLI H    1 D 3ldx_1_B_1.pdb H B 30 12
THR 24U_2zi2_1_F_1.pdb 2zi2 24U H  801 F 2zi2_1_B_1.pdb H B 23 8
THR BEN_3p70_3_W_1.pdb 3p70 BEN F 2001 W 3p70_3_F_1.pdb F F 9 1
THR C2D_2bxt_1_D_1.pdb 2bxt C2D H 1246 D 2bxt_1_A_1.pdb H A 31 9
THR R11_1g32_1_D_1.pdb 1g32 R11 B    1 D 1g32_1_B_1.pdb B B 32 6
THR TIF_3uwj_1_E_1.pdb 3uwj TIF H  302 E 3uwj_1_B_1.pdb H B 36 13
THR FSN_1oyt_1_F_1.pdb 1oyt FSN H  501 F 1oyt_1_B_1.pdb H B 30 4
THR NA9_2a2x_1_D_1.pdb 2a2x NA9 H  501 D 2a2x_1_B_1.pdb H B 32 13
THR ALZ_1afe_1_E_1.pdb 1afe ALZ H  600 E 1afe_1_B_1.pdb H B 24 11
THR 896_2uuj_1_F_1.pdb 2uuj 896 B 1250 F 2uuj_1_B_1.pdb B B 26 9
THR T87_1g30_1_D_1.pdb 1g30 T87 B    1 D 1g30_1_B_1.pdb B B 39 13
THR MEL_1k22_1_G_1.pdb 1k22 MEL H  999 G 1k22_1_B_1.pdb H B 31 11
THR MVF_4bao_1_E_1.pdb 4bao MVF B 1287 E 4bao_1_B_1.pdb B B 31 11
THR 31U_2znk_1_D_1.pdb 2znk 31U H 3001 D 2znk_1_B_1.pdb H B 26 9
THR CDA_1mu6_1_D_1.pdb 1mu6 CDA B  248 D 1mu6_1_B_1.pdb B B 31 9
THR M67_4bak_1_E_1.pdb 4bak M67 B 1287 E 4bak_1_B_1.pdb B B 34 14
THR T19_1aix_1_D_1.pdb 1aix T19 H    3 D 1aix_1_B_1.pdb H B 42 15
THR BMZ_1ghx_1_G_1.pdb 1ghx BMZ H  246 G 1ghx_1_B_1.pdb H B 19 4
THR IH1_1c4u_1_E_1.pdb 1c4u IH1 2  370 E 1c4u_1_B_1.pdb 2 B 36 9
THR C24_1kts_1_D_1.pdb 1kts C24 B  999 D 1kts_1_B_1.pdb B B 37 12
THR BT3_1d3p_1_G_1.pdb 1d3p BT3 B  400 G 1d3p_1_B_1.pdb B B 39 11
THR 382_1zgi_1_C_1.pdb 1zgi 382 A 1001 C 1zgi_1_A_1.pdb A A 32 7
THR M6S_4ban_1_E_1.pdb 4ban M6S B 1287 E 4ban_1_B_1.pdb B B 32 12
THR UNB_2bdy_1_D_1.pdb 2bdy UNB A  401 D 2bdy_1_A_1.pdb A A 36 9
THR MIN_1tom_1_D_1.pdb 1tom MIN H    1 D 1tom_1_B_1.pdb H B 28 9
THR S29_3rly_1_E_1.pdb 3rly S29 H    1 E 3rly_1_B_1.pdb H B 33 11
THR I26_2v3o_1_D_1.pdb 2v3o I26 H 1246 D 2v3o_1_A_1.pdb H A 32 11
THR MM9_4bam_1_E_1.pdb 4bam MM9 B 1287 E 4bam_1_B_1.pdb B B 33 12
THR C3M_2c8y_1_H_1.pdb 2c8y C3M B 1252 H 2c8y_1_B_1.pdb B B 26 7
THR RA4_1ypm_1_D_1.pdb 1ypm RA4 H 5555 D 1ypm_1_B_1.pdb H B 35 16
THR 10U_3biu_1_G_1.pdb 3biu 10U H  999 G 3biu_1_B_1.pdb H B 27 9
THR C1D_2bxu_1_D_1.pdb 2bxu C1D H 1246 D 2bxu_1_A_1.pdb H A 31 9
THR 44U_3da9_1_E_1.pdb 3da9 44U B    1 E 3da9_1_B_1.pdb B B 28 9
THR 50U_2zg0_1_F_1.pdb 2zg0 50U H  701 F 2zg0_1_B_1.pdb H B 28 9
THR APA_1aht_1_D_1.pdb 1aht APA H  401 D 1aht_1_B_1.pdb H B 15 4
THR L03_1wbg_1_D_1.pdb 1wbg L03 B 1248 D 1wbg_1_B_1.pdb B B 14 2
THR BAM_1c5o_1_E_1.pdb 1c5o BAM H  410 E 1c5o_1_B_1.pdb H B 9 3
THR C2A_2c8z_1_F_1.pdb 2c8z C2A B 1250 F 2c8z_1_B_1.pdb B B 9 1
THR BT2_1d3q_1_G_1.pdb 1d3q BT2 B  400 G 1d3q_1_B_1.pdb B B 38 11
THR L02_1way_1_D_1.pdb 1way L02 B 1248 D 1way_1_B_1.pdb B B 18 2
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