
#######################################################
#                                                     #
#                        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       0.61     0.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.61     0.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.61     0.61
  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     21   72  114  116  116  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     68  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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     79  109  114  116  116  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  109  114  116  116  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     79  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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     52  109  114  116  116  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     39  109  114  116  116  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     52  109  114  116  116  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     80  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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     79  109  114  116  116  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     68  109  114  116  116  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     80  109  114  116  116  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     72  109  114  116  116  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     80  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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     80  109  114  116  116  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     50  109  114  116  116  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     52  109  114  116  116  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     52  109  114  116  116  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     19  109  114  116  116  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     69  109  114  116  116  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     50  109  114  116  116  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     21  109  114  116  116  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     80  109  114  116  116  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     74  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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     80  109  114  116  116  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     68  109  114  116  116  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     21  109  114  116  116  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     38  103  114  116  116  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  109  114  116  116  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     80  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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     54  109  114  116  116  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     54  109  114  116  116  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     76  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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     77  109  114  116  116  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     47  107  114  116  116  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      8   68  110  116  116  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      8   68  110  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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     80  109  114  116  116  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     80  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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     68  109  114  116  116  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     70  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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     68  109  114  116  116  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     76  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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     79  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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  109  114  116  116  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     77  109  114  116  116  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     50  109  114  116  116  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     27  109  114  116  116  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    109    114    116    116    116    116    116    116    116    116    116    116    116    116    116    116    116    116    116 
GDT PERCENT_AT  68.97  93.97  98.28 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.50   0.56   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61
GDT RMS_ALL_AT   0.63   0.62   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61

# 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:  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     1.826     0    0.083   0.102     2.800   77.143   69.660
LGA    K     3_C      K     3_B     0.861     0    0.086   0.860     3.112   90.595   80.159
LGA    S     4_C      S     4_B     0.425     0    0.020   0.065     0.730   95.238   95.238
LGA    K     5_C      K     5_B     0.186     0    0.009   1.064     4.008  100.000   87.460
LGA    M     6_C      M     6_B     0.179     0    0.025   0.890     3.006  100.000   93.750
LGA    L     7_C      L     7_B     0.307     0    0.060   0.098     0.636   97.619   98.810
LGA    S     8_C      S     8_B     0.503     0    0.059   0.159     1.102   95.238   92.143
LGA    N     9_C      N     9_B     0.396     0    0.036   0.364     1.484  100.000   95.298
LGA    I    10_C      I    10_B     0.498     0    0.014   0.739     1.991   97.619   89.583
LGA    V    11_C      V    11_B     0.459     0    0.056   0.060     0.616   95.238   93.197
LGA    I    12_C      I    12_B     0.195     0    0.014   0.125     0.664  100.000   98.810
LGA    Q    13_C      Q    13_B     0.294     0    0.052   0.937     2.704   97.619   91.058
LGA    E    14_C      E    14_B     0.338     0    0.030   0.607     1.929  100.000   90.741
LGA    V    15_C      V    15_B     0.384     0    0.039   0.070     0.737   97.619   98.639
LGA    K    16_C      K    16_B     0.326     0    0.056   0.564     2.467   97.619   93.968
LGA    F    17_C      F    17_B     0.199     0    0.041   0.107     0.465  100.000  100.000
LGA    A    18_C      A    18_B     0.186     0    0.027   0.042     0.314  100.000  100.000
LGA    I    19_C      I    19_B     0.142     0    0.014   0.044     0.339  100.000  100.000
LGA    E    20_C      E    20_B     0.716     0    0.032   0.134     1.111   90.476   86.455
LGA    D    21_C      D    21_B     1.161     0    0.045   0.283     2.292   83.690   78.333
LGA    Y    22_C      Y    22_B     0.788     0    0.025   0.100     1.344   90.476   85.198
LGA    C    23_C      C    23_B     0.388     0    0.008   0.032     0.529  100.000   98.413
LGA    A    24_C      A    24_B     0.228     0    0.031   0.033     0.441  100.000  100.000
LGA    I    25_C      I    25_B     0.269     0    0.005   0.079     0.996  100.000   97.619
LGA    L    26_C      L    26_B     0.157     0    0.029   0.132     0.590  100.000   98.810
LGA    S    27_C      S    27_B     0.290     0    0.055   0.137     0.423  100.000  100.000
LGA    F    28_C      F    28_B     0.183     0    0.096   0.107     0.547   97.619   99.134
LGA    A    29_C      A    29_B     0.346     0    0.020   0.035     0.385  100.000  100.000
LGA    S    30_C      S    30_B     0.450     0    0.024   0.038     0.546   97.619   98.413
LGA    D    31_C      D    31_B     0.501     0    0.013   0.133     0.654   97.619   94.048
LGA    S    32_C      S    32_B     0.632     0    0.051   0.633     3.198   90.476   83.730
LGA    Y    33_C      Y    33_B     0.723     0    0.045   0.377     2.773   95.238   78.492
LGA    E    34_C      E    34_B     0.225     0    0.052   0.676     2.167  100.000   90.106
LGA    V    35_C      V    35_B     0.530     0    0.137   0.138     1.237   95.238   91.905
LGA    P    36_C      P    36_B     0.380     0    0.032   0.303     0.547  100.000   98.639
LGA    E    37_C      E    37_B     0.123     0    0.029   0.745     2.453  100.000   84.339
LGA    Q    38_C      Q    38_B     0.152     0    0.019   0.304     0.902  100.000   97.884
LGA    Y    39_C      Y    39_B     0.369     0    0.007   0.053     0.408  100.000  100.000
LGA    F    40_C      F    40_B     0.315     0    0.025   0.042     0.487  100.000  100.000
LGA    I    41_C      I    41_B     0.356     0    0.034   0.094     0.490  100.000  100.000
LGA    I    42_C      I    42_B     0.226     0    0.043   0.094     0.370  100.000  100.000
LGA    T    43_C      T    43_B     0.419     0    0.021   0.171     0.936  100.000   97.279
LGA    R    44_C      R    44_B     0.137     0    0.013   0.148     0.981  100.000   95.671
LGA    S    45_C      S    45_B     0.269     0    0.047   0.105     0.501  100.000   98.413
LGA    T    46_C      T    46_B     0.390     0    0.046   0.059     0.627   95.238   97.279
LGA    T    47_C      T    47_B     0.954     0    0.023   0.045     1.199   88.214   85.306
LGA    E    48_C      E    48_B     0.959     0    0.048   0.173     1.616   90.476   86.508
LGA    R    49_C      R    49_B     0.936     0    0.034   0.275     2.212   90.476   79.351
LGA    S    50_C      S    50_B     1.066     0    0.141   0.588     2.922   83.810   78.968
LGA    G    51_C      G    51_B     0.660     0    0.030   0.030     0.693   90.476   90.476
LGA    G    52_C      G    52_B     0.877     0    0.034   0.034     1.079   85.952   85.952
LGA    I    53_C      I    53_B     1.103     0    0.078   0.204     2.796   85.952   77.440
LGA    P    54_C      P    54_B     0.349     0    0.026   0.207     0.992   97.619   95.918
LGA    E    55_C      E    55_B     0.521     0    0.082   0.547     1.133   97.619   90.635
LGA    G    56_C      G    56_B     0.037     0    0.026   0.026     0.101  100.000  100.000
LGA    D    57_C      D    57_B     0.363     0    0.036   0.186     0.770  100.000   95.238
LGA    I    58_C      I    58_B     0.529     0    0.071   0.993     2.130   92.857   83.036
LGA    Y    59_C      Y    59_B     0.584     0    0.040   0.099     1.083   92.857   90.516
LGA    L    60_C      L    60_B     0.281     0    0.105   0.117     0.570   97.619   98.810
LGA    E    61_C      E    61_B     0.349     0    0.028   0.326     2.357   97.619   85.979
LGA    S    62_C      S    62_B     0.238     0    0.029   0.046     0.388  100.000  100.000
LGA    N    63_C      N    63_B     0.285     0    0.127   0.179     0.857   97.619   98.810
LGA    L    64_C      L    64_B     0.365     0    0.010   0.310     1.172  100.000   96.488
LGA    F    65_C      F    65_B     0.644     0    0.068   0.745     3.568   92.857   77.749
LGA    L    66_C      L    66_B     0.827     0    0.038   1.229     3.081   90.476   83.155
LGA    D    67_C      D    67_B     1.081     0    0.202   1.025     3.070   85.952   79.821
LGA    F    68_C      F    68_B     0.444     0    0.070   0.158     0.725   92.857   97.403
LGA    N    69_C      N    69_B     0.659     0    0.015   0.057     1.125   92.857   90.536
LGA    P    70_C      P    70_B     0.574     0    0.036   0.158     1.375   92.857   89.252
LGA    Y    71_C      Y    71_B     0.625     0    0.020   0.103     1.178   90.476   87.460
LGA    G    72_C      G    72_B     0.617     0    0.046   0.046     0.866   90.476   90.476
LGA    L    73_C      L    73_B     1.005     0    0.083   1.304     2.598   83.690   79.762
LGA    S    74_C      S    74_B     0.999     0    0.037   0.051     1.145   90.476   87.460
LGA    G    75_C      G    75_B     0.727     0    0.049   0.049     0.812   90.476   90.476
LGA    Y    76_C      Y    76_B     0.542     0    0.023   0.111     1.107   90.476   89.722
LGA    L    77_C      L    77_B     0.390     0    0.033   0.131     1.068  100.000   95.298
LGA    L    78_C      L    78_B     0.596     0    0.019   0.926     2.653   90.476   84.107
LGA    S    79_C      S    79_B     1.080     0    0.031   0.640     1.501   85.952   83.016
LGA    E    80_C      E    80_B     1.811     0    0.056   0.507     3.340   68.810   62.381
LGA    P    81_C      P    81_B     1.759     0    0.097   0.129     2.747   75.119   68.503
LGA    N    82_C      N    82_B     0.314     0    0.042   0.548     2.133   97.619   90.893
LGA    C    83_C      C    83_B     0.313     0    0.014   0.078     0.704  100.000   98.413
LGA    V    84_C      V    84_B     0.361     0    0.020   0.085     0.374  100.000  100.000
LGA    D    85_C      D    85_B     0.380     0    0.012   0.128     1.149  100.000   96.488
LGA    L    86_C      L    86_B     0.428     0    0.021   0.064     0.512  100.000   97.619
LGA    L    87_C      L    87_B     0.350     0    0.010   0.094     0.518   97.619   97.619
LGA    I    88_C      I    88_B     0.458     0    0.037   0.173     0.714  100.000   95.238
LGA    E    89_C      E    89_B     0.560     0    0.029   0.209     1.937   92.857   83.651
LGA    P    90_C      P    90_B     0.478     0    0.107   0.113     1.021   92.976   91.905
LGA    N    91_C      N    91_B     0.447     0    0.050   0.061     0.770  100.000   96.429
LGA    N    92_C      N    92_B     0.416     0    0.012   0.174     0.810  100.000   95.238
LGA    Y    93_C      Y    93_B     0.319     0    0.043   0.067     0.319  100.000  100.000
LGA    V    94_C      V    94_B     0.332     0    0.016   0.095     0.821  100.000   97.279
LGA    R    95_C      R    95_B     0.227     0    0.045   0.140     0.735  100.000   99.134
LGA    L    96_C      L    96_B     0.307     0    0.045   0.178     0.635   97.619   97.619
LGA    R    97_C      R    97_B     0.280     0    0.011   1.048     6.849  100.000   69.221
LGA    L    98_C      L    98_B     0.318     0    0.024   0.059     0.547  100.000   98.810
LGA    I    99_C      I    99_B     0.411     0    0.026   0.382     1.425  100.000   96.488
LGA    E   100_C      E   100_B     0.561     0    0.034   0.604     1.660   92.857   87.566
LGA    K   101_C      K   101_B     0.590     0    0.105   0.846     3.857   90.595   75.979
LGA    I   102_C      I   102_B     0.460     0    0.024   0.062     0.522  100.000   96.429
LGA    D   103_C      D   103_B     0.479     0    0.024   0.096     0.631  100.000   97.619
LGA    I   104_C      I   104_B     0.222     0    0.023   0.272     1.290  100.000   93.036
LGA    L   105_C      L   105_B     0.748     0    0.034   0.112     1.677   90.476   83.810
LGA    E   106_C      E   106_B     0.676     0    0.057   0.507     2.885   95.238   86.878
LGA    V   107_C      V   107_B     0.215     0    0.015   0.036     0.347  100.000  100.000
LGA    E   108_C      E   108_B     0.340     0    0.054   0.130     1.158  100.000   93.757
LGA    N   109_C      N   109_B     0.605     0    0.029   0.093     0.902   92.857   91.667
LGA    H   110_C      H   110_B     0.562     0    0.033   1.149     2.599   90.476   82.714
LGA    L   111_C      L   111_B     0.465     0    0.045   0.053     0.554   97.619   98.810
LGA    K   112_C      K   112_B     0.491     0    0.119   0.604     1.959   95.238   89.735
LGA    F   113_C      F   113_B     0.483     0    0.029   0.087     0.814  100.000   94.805
LGA    L   114_C      L   114_B     0.321     0    0.054   0.062     0.611   97.619   97.619
LGA    F   115_C      F   115_B     0.543     0    0.113   0.117     1.039   92.857   90.519
LGA    D   116_C      D   116_B     0.969     0    0.117   0.802     4.455   88.214   69.524
LGA    N   117_C      N   117_B     0.981     0    0.358   1.121     5.377   62.619   51.607

# 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):     0.609          0.670                  1.081           95.121   91.024

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0    116    0.61    98.491    99.395    16.367

LGA_LOCAL      RMSD:   0.609  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.609  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   0.609  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.762649 * X  +   0.406914 * Y  +  -0.502780 * Z  + -20.985447
  Y_new =  -0.639562 * X  +  -0.358346 * Y  +   0.680109 * Z  + -14.549584
  Z_new =   0.096577 * X  +   0.840243 * Y  +   0.533539 * Z  +  -6.334355 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.443750 -0.096728  1.005051   [DEG: -140.0166   -5.5421   57.5852 ]
ZXZ: -2.504998  1.008016  0.114437   [DEG: -143.5258   57.7551    6.5568 ]
 
# END of job
