
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.69     0.69
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.69     0.69
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.69     0.69
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     T     2_C     T     2_B    116  116  116      4   75  104  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     3_C     K     3_B    116  116  116     64  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     4_C     S     4_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     5_C     K     5_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     M     6_C     M     6_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L     7_C     L     7_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     8_C     S     8_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N     9_C     N     9_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    10_C     I    10_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    11_C     V    11_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    12_C     I    12_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    13_C     Q    13_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    14_C     E    14_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    15_C     V    15_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K    16_C     K    16_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    17_C     F    17_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    18_C     A    18_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    19_C     I    19_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    20_C     E    20_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    21_C     D    21_B    116  116  116     22  104  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    22_C     Y    22_B    116  116  116     48  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    23_C     C    23_B    116  116  116     76  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    24_C     A    24_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    25_C     I    25_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    26_C     L    26_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    27_C     S    27_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    28_C     F    28_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    29_C     A    29_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    30_C     S    30_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    31_C     D    31_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    32_C     S    32_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    33_C     Y    33_B    116  116  116     77  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    34_C     E    34_B    116  116  116     78  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    35_C     V    35_B    116  116  116     35  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    36_C     P    36_B    116  116  116     78  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    37_C     E    37_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    38_C     Q    38_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    39_C     Y    39_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    40_C     F    40_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    41_C     I    41_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    42_C     I    42_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    43_C     T    43_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    44_C     R    44_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    45_C     S    45_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    46_C     T    46_B    116  116  116     78  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    47_C     T    47_B    116  116  116     52  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    48_C     E    48_B    116  116  116     48  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    49_C     R    49_B    116  116  116     32  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    50_C     S    50_B    116  116  116      7   57  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    51_C     G    51_B    116  116  116      4   97  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    52_C     G    52_B    116  116  116     54  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    53_C     I    53_B    116  116  116     35  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    54_C     P    54_B    116  116  116     79  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    55_C     E    55_B    116  116  116     79  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    56_C     G    56_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    57_C     D    57_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    58_C     I    58_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    59_C     Y    59_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    60_C     L    60_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    61_C     E    61_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    62_C     S    62_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    63_C     N    63_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    64_C     L    64_B    116  116  116     65  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    65_C     F    65_B    116  116  116     65  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    66_C     L    66_B    116  116  116     35  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    67_C     D    67_B    116  116  116     45  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    68_C     F    68_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    69_C     N    69_B    116  116  116     76  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    70_C     P    70_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    71_C     Y    71_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    72_C     G    72_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    73_C     L    73_B    116  116  116     44  106  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    74_C     S    74_B    116  116  116     44  106  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    75_C     G    75_B    116  116  116     59  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    76_C     Y    76_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    77_C     L    77_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    78_C     L    78_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    79_C     S    79_B    116  116  116      8   28  107  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    80_C     E    80_B    116  116  116      2   76  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    81_C     P    81_B    116  116  116      3   26   42  108  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    82_C     N    82_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    83_C     C    83_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    84_C     V    84_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    85_C     D    85_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    86_C     L    86_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    87_C     L    87_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    88_C     I    88_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    89_C     E    89_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    90_C     P    90_B    116  116  116     78  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    91_C     N    91_B    116  116  116     76  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    92_C     N    92_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    93_C     Y    93_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    94_C     V    94_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    95_C     R    95_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    96_C     L    96_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    97_C     R    97_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    98_C     L    98_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    99_C     I    99_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   100_C     E   100_B    116  116  116     78  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   101_C     K   101_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   102_C     I   102_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   103_C     D   103_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   104_C     I   104_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   105_C     L   105_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   106_C     E   106_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V   107_C     V   107_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   108_C     E   108_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   109_C     N   109_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     H   110_C     H   110_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   111_C     L   111_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   112_C     K   112_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   113_C     F   113_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   114_C     L   114_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   115_C     F   115_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   116_C     D   116_B    116  116  116     80  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   117_C     N   117_B    116  116  116     78  107  112  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     80    107    112    115    115    116    116    116    116    116    116    116    116    116    116    116    116    116    116    116 
GDT PERCENT_AT  68.97  92.24  96.55  99.14  99.14 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.48   0.55   0.63   0.63   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69
GDT RMS_ALL_AT   0.74   0.70   0.70   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69

# Checking swapping
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  Y    59_C      Y    59_B
#   possible swapping detected:  E    61_C      E    61_B
#   possible swapping detected:  F    65_C      F    65_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  E   106_C      E   106_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B     2.137     0    0.089   0.114     3.134   68.810   62.789
LGA    K     3_C      K     3_B     0.842     0    0.093   0.928     3.908   90.595   78.624
LGA    S     4_C      S     4_B     0.319     0    0.015   0.091     0.937   97.619   96.825
LGA    K     5_C      K     5_B     0.348     0    0.009   1.062     3.745  100.000   84.974
LGA    M     6_C      M     6_B     0.301     0    0.020   0.866     2.725  100.000   93.452
LGA    L     7_C      L     7_B     0.469     0    0.059   0.096     0.807   95.238   96.429
LGA    S     8_C      S     8_B     0.595     0    0.059   0.165     1.231   92.857   90.556
LGA    N     9_C      N     9_B     0.415     0    0.044   0.161     0.694  100.000   98.810
LGA    I    10_C      I    10_B     0.471     0    0.023   0.742     1.954   97.619   90.774
LGA    V    11_C      V    11_B     0.396     0    0.046   0.051     0.539  100.000   98.639
LGA    I    12_C      I    12_B     0.060     0    0.006   0.113     0.538  100.000   98.810
LGA    Q    13_C      Q    13_B     0.280     0    0.052   0.949     2.748   97.619   91.058
LGA    E    14_C      E    14_B     0.349     0    0.026   0.627     1.783  100.000   89.841
LGA    V    15_C      V    15_B     0.382     0    0.038   0.094     0.692   97.619   98.639
LGA    K    16_C      K    16_B     0.352     0    0.082   0.613     2.857   97.619   90.000
LGA    F    17_C      F    17_B     0.176     0    0.025   0.098     0.544   97.619   99.134
LGA    A    18_C      A    18_B     0.483     0    0.035   0.050     0.729  100.000   98.095
LGA    I    19_C      I    19_B     0.594     0    0.026   0.615     1.609   88.214   84.881
LGA    E    20_C      E    20_B     0.570     0    0.124   0.198     3.077   95.238   78.571
LGA    D    21_C      D    21_B     1.298     0    0.055   0.318     2.562   83.690   73.333
LGA    Y    22_C      Y    22_B     0.909     0    0.079   0.108     1.395   88.214   83.690
LGA    C    23_C      C    23_B     0.464     0    0.008   0.109     0.845   97.619   95.238
LGA    A    24_C      A    24_B     0.167     0    0.042   0.044     0.400  100.000  100.000
LGA    I    25_C      I    25_B     0.204     0    0.005   0.055     0.836  100.000   97.619
LGA    L    26_C      L    26_B     0.071     0    0.029   0.118     0.580  100.000   98.810
LGA    S    27_C      S    27_B     0.197     0    0.026   0.098     0.512  100.000   98.413
LGA    F    28_C      F    28_B     0.119     0    0.059   0.077     0.345  100.000  100.000
LGA    A    29_C      A    29_B     0.214     0    0.027   0.037     0.247  100.000  100.000
LGA    S    30_C      S    30_B     0.410     0    0.021   0.041     0.600   97.619   95.238
LGA    D    31_C      D    31_B     0.498     0    0.040   0.176     0.629   97.619   96.429
LGA    S    32_C      S    32_B     0.590     0    0.022   0.649     3.130   90.476   83.730
LGA    Y    33_C      Y    33_B     0.687     0    0.050   0.339     2.723   95.238   77.778
LGA    E    34_C      E    34_B     0.417     0    0.054   0.675     2.441   95.238   85.979
LGA    V    35_C      V    35_B     0.727     0    0.142   0.140     1.496   90.476   86.599
LGA    P    36_C      P    36_B     0.444     0    0.037   0.293     0.593   97.619   95.918
LGA    E    37_C      E    37_B     0.124     0    0.030   0.709     2.346  100.000   84.339
LGA    Q    38_C      Q    38_B     0.162     0    0.008   0.236     0.864  100.000   98.942
LGA    Y    39_C      Y    39_B     0.252     0    0.012   0.049     0.418  100.000  100.000
LGA    F    40_C      F    40_B     0.218     0    0.014   0.035     0.374  100.000  100.000
LGA    I    41_C      I    41_B     0.245     0    0.026   0.101     0.397  100.000  100.000
LGA    I    42_C      I    42_B     0.075     0    0.050   0.102     0.335  100.000  100.000
LGA    T    43_C      T    43_B     0.349     0    0.050   0.895     2.084  100.000   89.728
LGA    R    44_C      R    44_B     0.156     0    0.030   0.197     1.098  100.000   96.580
LGA    S    45_C      S    45_B     0.227     0    0.045   0.106     0.444  100.000  100.000
LGA    T    46_C      T    46_B     0.466     0    0.037   0.063     0.615   95.238   95.918
LGA    T    47_C      T    47_B     0.874     0    0.020   0.041     1.112   88.214   86.599
LGA    E    48_C      E    48_B     1.039     0    0.073   0.222     1.721   83.690   80.529
LGA    R    49_C      R    49_B     1.188     0    0.032   0.345     2.751   81.429   73.853
LGA    S    50_C      S    50_B     1.718     0    0.064   0.433     4.654   81.548   69.127
LGA    G    51_C      G    51_B     1.232     0    0.347   0.347     3.152   75.833   75.833
LGA    G    52_C      G    52_B     0.826     0    0.103   0.103     1.206   88.214   88.214
LGA    I    53_C      I    53_B     1.050     0    0.069   0.210     2.359   85.952   80.536
LGA    P    54_C      P    54_B     0.374     0    0.067   0.379     1.799   97.619   92.109
LGA    E    55_C      E    55_B     0.434     0    0.082   0.541     1.209  100.000   92.698
LGA    G    56_C      G    56_B     0.063     0    0.025   0.025     0.122  100.000  100.000
LGA    D    57_C      D    57_B     0.346     0    0.042   0.181     0.751  100.000   95.238
LGA    I    58_C      I    58_B     0.482     0    0.076   1.046     2.257   97.619   85.417
LGA    Y    59_C      Y    59_B     0.562     0    0.061   0.078     0.797   92.857   91.270
LGA    L    60_C      L    60_B     0.173     0    0.105   0.113     0.449  100.000  100.000
LGA    E    61_C      E    61_B     0.302     0    0.028   0.385     2.240   97.619   86.878
LGA    S    62_C      S    62_B     0.188     0    0.027   0.053     0.320  100.000  100.000
LGA    N    63_C      N    63_B     0.280     0    0.113   0.173     0.753   97.619   98.810
LGA    L    64_C      L    64_B     0.565     0    0.007   0.463     1.765   95.238   90.714
LGA    F    65_C      F    65_B     0.750     0    0.079   1.133     6.889   90.476   58.528
LGA    L    66_C      L    66_B     0.925     0    0.041   1.215     3.124   90.476   83.155
LGA    D    67_C      D    67_B     1.015     0    0.208   1.033     3.105   85.952   78.690
LGA    F    68_C      F    68_B     0.244     0    0.070   0.122     0.545   95.238   98.268
LGA    N    69_C      N    69_B     0.668     0    0.018   0.067     1.317   95.238   90.595
LGA    P    70_C      P    70_B     0.477     0    0.025   0.161     1.164   97.619   93.265
LGA    Y    71_C      Y    71_B     0.451     0    0.027   0.105     0.800   97.619   94.444
LGA    G    72_C      G    72_B     0.668     0    0.036   0.036     1.062   88.214   88.214
LGA    L    73_C      L    73_B     1.061     0    0.099   1.306     2.721   83.690   78.571
LGA    S    74_C      S    74_B     1.006     0    0.048   0.058     1.142   88.214   85.952
LGA    G    75_C      G    75_B     0.741     0    0.057   0.057     0.820   90.476   90.476
LGA    Y    76_C      Y    76_B     0.540     0    0.023   0.115     0.878   92.857   91.270
LGA    L    77_C      L    77_B     0.332     0    0.053   0.097     0.946  100.000   96.429
LGA    L    78_C      L    78_B     0.375     0    0.231   0.946     2.578   95.238   87.679
LGA    S    79_C      S    79_B     2.060     0    0.666   0.768     4.560   58.690   65.000
LGA    E    80_C      E    80_B     1.686     0    0.044   1.042     8.568   60.000   38.836
LGA    P    81_C      P    81_B     3.040     0    0.093   0.466     5.772   61.429   48.844
LGA    N    82_C      N    82_B     0.553     0    0.115   0.671     2.919   92.976   87.619
LGA    C    83_C      C    83_B     0.229     0    0.032   0.100     0.846  100.000   98.413
LGA    V    84_C      V    84_B     0.315     0    0.033   0.071     0.315  100.000  100.000
LGA    D    85_C      D    85_B     0.373     0    0.013   0.099     0.988  100.000   97.619
LGA    L    86_C      L    86_B     0.484     0    0.028   0.055     0.627  100.000   95.238
LGA    L    87_C      L    87_B     0.331     0    0.010   0.096     0.528   97.619   98.810
LGA    I    88_C      I    88_B     0.517     0    0.040   0.203     0.982   97.619   94.048
LGA    E    89_C      E    89_B     0.531     0    0.025   0.153     2.103   90.595   80.794
LGA    P    90_C      P    90_B     0.430     0    0.610   0.560     3.125   82.738   87.415
LGA    N    91_C      N    91_B     0.579     0    0.123   0.169     1.050   92.976   94.107
LGA    N    92_C      N    92_B     0.443     0    0.013   0.182     0.900  100.000   95.238
LGA    Y    93_C      Y    93_B     0.351     0    0.035   0.087     0.441  100.000  100.000
LGA    V    94_C      V    94_B     0.448     0    0.019   0.105     1.055  100.000   94.626
LGA    R    95_C      R    95_B     0.245     0    0.046   0.129     0.778  100.000   99.134
LGA    L    96_C      L    96_B     0.239     0    0.036   0.171     0.463  100.000  100.000
LGA    R    97_C      R    97_B     0.266     0    0.022   1.001     6.851  100.000   70.087
LGA    L    98_C      L    98_B     0.229     0    0.035   0.079     0.355  100.000  100.000
LGA    I    99_C      I    99_B     0.344     0    0.027   0.384     1.485   97.619   95.298
LGA    E   100_C      E   100_B     0.629     0    0.039   0.602     1.766   92.857   86.561
LGA    K   101_C      K   101_B     0.648     0    0.108   0.835     3.916   88.214   74.921
LGA    I   102_C      I   102_B     0.482     0    0.023   0.091     0.557  100.000   98.810
LGA    D   103_C      D   103_B     0.482     0    0.024   0.100     0.502   97.619   98.810
LGA    I   104_C      I   104_B     0.202     0    0.024   0.643     1.321  100.000   91.845
LGA    L   105_C      L   105_B     0.623     0    0.035   0.094     1.394   90.476   87.083
LGA    E   106_C      E   106_B     0.581     0    0.068   0.432     2.242   95.238   88.730
LGA    V   107_C      V   107_B     0.222     0    0.018   0.032     0.340  100.000  100.000
LGA    E   108_C      E   108_B     0.224     0    0.029   0.250     0.939  100.000   97.884
LGA    N   109_C      N   109_B     0.519     0    0.029   0.088     0.784   92.857   91.667
LGA    H   110_C      H   110_B     0.520     0    0.038   0.090     0.610   92.857   94.286
LGA    L   111_C      L   111_B     0.500     0    0.054   0.052     0.590   92.857   96.429
LGA    K   112_C      K   112_B     0.503     0    0.121   0.626     2.193   92.857   85.820
LGA    F   113_C      F   113_B     0.467     0    0.036   0.141     0.877   95.238   93.074
LGA    L   114_C      L   114_B     0.443     0    0.049   0.055     0.693   95.238   96.429
LGA    F   115_C      F   115_B     0.510     0    0.059   0.065     0.776   92.857   91.342
LGA    D   116_C      D   116_B     0.491     0    0.130   0.309     1.336   95.238   91.726
LGA    N   117_C      N   117_B     0.534     0    0.669   1.094     5.709   75.714   62.143

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):     0.692          0.782                  1.265           94.163   89.890

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0    116    0.69    97.845    99.013    14.649

LGA_LOCAL      RMSD:   0.692  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.692  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   0.692  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.832685 * X  +   0.211951 * Y  +  -0.511578 * Z  + -19.517139
  Y_new =  -0.496393 * X  +  -0.695150 * Y  +   0.519962 * Z  + -16.492390
  Z_new =  -0.245417 * X  +   0.686908 * Y  +   0.684052 * Z  +  -3.645846 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.604020  0.247950  0.787481   [DEG: -149.1993   14.2065   45.1194 ]
ZXZ: -2.364322  0.817493 -0.343143   [DEG: -135.4657   46.8389  -19.6607 ]
 
# END of job
