
#######################################################
#                                                     #
#                        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       0.63     0.63
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.63     0.63
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.63     0.63
  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     32   67  114  115  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     74  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     80  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     36  111  114  115  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     36  111  114  115  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     63  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     67  111  114  115  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     67  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     61  111  114  115  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     67  111  114  115  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     67  111  114  115  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     67  111  114  115  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     81  111  114  115  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     63  111  114  115  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     15  110  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     67  111  114  115  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     16  111  114  115  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     56  111  114  115  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     81  111  114  115  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     77  111  114  115  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     81  111  114  115  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     81  111  114  115  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  111  114  115  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     40  111  114  115  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     53  111  114  115  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     77  111  114  115  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     81  111  114  115  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     81  111  114  115  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     71  111  114  115  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      6   60  113  115  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      2   90  114  115  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      4    4   76  104  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     68  111  114  115  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     81  111  114  115  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     78  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     77  111  114  115  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     77  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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  111  114  115  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     79  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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  111  114  115  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     79  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     81  111  114  115  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     63  111  114  115  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     81    111    114    115    116    116    116    116    116    116    116    116    116    116    116    116    116    116    116    116 
GDT PERCENT_AT  69.83  95.69  98.28  99.14 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.48   0.53   0.56   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63
GDT RMS_ALL_AT   0.64   0.64   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63   0.63

# Checking swapping
#   possible swapping detected:  F    17_C      F    17_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     1.713     0    0.096   0.129     2.589   77.143   70.748
LGA    K     3_C      K     3_B     0.658     0    0.088   0.928     3.953   92.976   79.683
LGA    S     4_C      S     4_B     0.307     0    0.022   0.086     0.785   97.619   96.825
LGA    K     5_C      K     5_B     0.184     0    0.008   1.076     3.998  100.000   86.032
LGA    M     6_C      M     6_B     0.181     0    0.015   0.858     2.610  100.000   93.452
LGA    L     7_C      L     7_B     0.336     0    0.048   0.096     0.625   97.619   98.810
LGA    S     8_C      S     8_B     0.528     0    0.049   0.148     1.026   92.857   90.556
LGA    N     9_C      N     9_B     0.457     0    0.037   0.436     1.765   97.619   91.845
LGA    I    10_C      I    10_B     0.436     0    0.024   0.666     1.914  100.000   94.226
LGA    V    11_C      V    11_B     0.432     0    0.047   0.051     0.578   97.619   94.558
LGA    I    12_C      I    12_B     0.154     0    0.009   0.107     0.585  100.000   98.810
LGA    Q    13_C      Q    13_B     0.266     0    0.044   0.939     2.733   97.619   91.058
LGA    E    14_C      E    14_B     0.381     0    0.033   0.617     2.039  100.000   88.836
LGA    V    15_C      V    15_B     0.481     0    0.040   0.068     0.807   92.857   95.918
LGA    K    16_C      K    16_B     0.342     0    0.058   0.602     2.363   97.619   92.910
LGA    F    17_C      F    17_B     0.143     0    0.037   0.123     0.353  100.000  100.000
LGA    A    18_C      A    18_B     0.102     0    0.028   0.043     0.192  100.000  100.000
LGA    I    19_C      I    19_B     0.253     0    0.018   0.044     0.474  100.000  100.000
LGA    E    20_C      E    20_B     0.922     0    0.037   0.718     2.333   90.476   80.741
LGA    D    21_C      D    21_B     1.053     0    0.065   0.346     2.071   85.952   79.464
LGA    Y    22_C      Y    22_B     0.728     0    0.016   0.099     1.143   90.476   86.706
LGA    C    23_C      C    23_B     0.386     0    0.007   0.032     0.492  100.000  100.000
LGA    A    24_C      A    24_B     0.180     0    0.029   0.031     0.377  100.000  100.000
LGA    I    25_C      I    25_B     0.256     0    0.007   0.047     0.692  100.000   97.619
LGA    L    26_C      L    26_B     0.143     0    0.025   0.149     0.646  100.000   98.810
LGA    S    27_C      S    27_B     0.249     0    0.029   0.086     0.441  100.000  100.000
LGA    F    28_C      F    28_B     0.184     0    0.096   0.114     0.519   97.619   99.134
LGA    A    29_C      A    29_B     0.362     0    0.019   0.039     0.416  100.000  100.000
LGA    S    30_C      S    30_B     0.438     0    0.018   0.034     0.481  100.000  100.000
LGA    D    31_C      D    31_B     0.472     0    0.013   0.143     0.654   97.619   94.048
LGA    S    32_C      S    32_B     0.681     0    0.051   0.631     3.108   90.476   83.730
LGA    Y    33_C      Y    33_B     0.869     0    0.042   0.377     2.763   95.238   78.492
LGA    E    34_C      E    34_B     0.183     0    0.052   0.707     2.499  100.000   89.153
LGA    V    35_C      V    35_B     0.441     0    0.144   0.142     1.160  100.000   94.626
LGA    P    36_C      P    36_B     0.410     0    0.035   0.306     0.572  100.000   98.639
LGA    E    37_C      E    37_B     0.058     0    0.037   0.748     2.560  100.000   83.492
LGA    Q    38_C      Q    38_B     0.091     0    0.018   0.076     0.537  100.000   98.942
LGA    Y    39_C      Y    39_B     0.310     0    0.007   0.051     0.339  100.000  100.000
LGA    F    40_C      F    40_B     0.300     0    0.018   0.046     0.597  100.000   97.403
LGA    I    41_C      I    41_B     0.325     0    0.028   0.094     0.460  100.000  100.000
LGA    I    42_C      I    42_B     0.197     0    0.039   0.096     0.334  100.000  100.000
LGA    T    43_C      T    43_B     0.323     0    0.011   0.184     0.829  100.000   97.279
LGA    R    44_C      R    44_B     0.102     0    0.015   0.179     1.048  100.000   96.580
LGA    S    45_C      S    45_B     0.234     0    0.037   0.086     0.334  100.000  100.000
LGA    T    46_C      T    46_B     0.313     0    0.045   0.060     0.562   95.238   97.279
LGA    T    47_C      T    47_B     0.878     0    0.018   0.043     1.182   88.214   85.306
LGA    E    48_C      E    48_B     0.805     0    0.044   0.212     1.694   90.476   86.508
LGA    R    49_C      R    49_B     0.748     0    0.028   0.292     2.016   90.476   82.468
LGA    S    50_C      S    50_B     0.672     0    0.056   0.165     0.818   90.476   92.063
LGA    G    51_C      G    51_B     0.516     0    0.018   0.018     0.582   92.857   92.857
LGA    G    52_C      G    52_B     0.834     0    0.030   0.030     1.049   85.952   85.952
LGA    I    53_C      I    53_B     1.228     0    0.102   0.238     3.202   85.952   75.536
LGA    P    54_C      P    54_B     0.327     0    0.036   0.220     1.078   97.619   94.626
LGA    E    55_C      E    55_B     0.511     0    0.084   0.540     1.139   97.619   90.635
LGA    G    56_C      G    56_B     0.039     0    0.026   0.026     0.085  100.000  100.000
LGA    D    57_C      D    57_B     0.244     0    0.025   0.196     0.672  100.000   97.619
LGA    I    58_C      I    58_B     0.438     0    0.069   0.995     2.124  100.000   86.607
LGA    Y    59_C      Y    59_B     0.471     0    0.047   0.077     0.877   97.619   93.651
LGA    L    60_C      L    60_B     0.181     0    0.107   0.126     0.558   97.619   98.810
LGA    E    61_C      E    61_B     0.233     0    0.029   0.344     2.212   97.619   86.878
LGA    S    62_C      S    62_B     0.256     0    0.027   0.048     0.363  100.000  100.000
LGA    N    63_C      N    63_B     0.232     0    0.117   0.167     0.734   97.619   98.810
LGA    L    64_C      L    64_B     0.417     0    0.008   0.202     0.984  100.000   96.429
LGA    F    65_C      F    65_B     0.667     0    0.087   1.116     6.816   90.476   58.528
LGA    L    66_C      L    66_B     0.882     0    0.057   1.224     3.099   92.857   84.345
LGA    D    67_C      D    67_B     0.879     0    0.202   1.022     3.232   88.214   82.024
LGA    F    68_C      F    68_B     0.380     0    0.067   0.143     0.600   92.857   97.403
LGA    N    69_C      N    69_B     0.627     0    0.013   0.056     1.067   95.238   91.726
LGA    P    70_C      P    70_B     0.506     0    0.034   0.156     1.319   95.238   90.612
LGA    Y    71_C      Y    71_B     0.489     0    0.024   0.093     0.889   95.238   92.063
LGA    G    72_C      G    72_B     0.562     0    0.034   0.034     0.813   90.476   90.476
LGA    L    73_C      L    73_B     0.960     0    0.101   1.348     2.588   88.214   82.024
LGA    S    74_C      S    74_B     0.930     0    0.029   0.040     1.043   90.476   88.968
LGA    G    75_C      G    75_B     0.645     0    0.053   0.053     0.728   90.476   90.476
LGA    Y    76_C      Y    76_B     0.458     0    0.022   0.098     0.901   95.238   92.063
LGA    L    77_C      L    77_B     0.333     0    0.030   0.117     1.128  100.000   95.298
LGA    L    78_C      L    78_B     0.529     0    0.154   0.947     2.873   92.857   85.298
LGA    S    79_C      S    79_B     1.834     0    0.659   0.742     4.452   64.048   69.921
LGA    E    80_C      E    80_B     1.412     0    0.057   1.053     8.289   64.286   41.905
LGA    P    81_C      P    81_B     3.122     0    0.084   0.465     5.861   61.429   47.959
LGA    N    82_C      N    82_B     0.682     0    0.113   0.660     2.578   90.833   86.548
LGA    C    83_C      C    83_B     0.340     0    0.037   0.093     0.959  100.000   96.825
LGA    V    84_C      V    84_B     0.466     0    0.014   0.069     0.531  100.000   97.279
LGA    D    85_C      D    85_B     0.402     0    0.014   0.076     0.955  100.000   95.238
LGA    L    86_C      L    86_B     0.332     0    0.019   0.048     0.429  100.000  100.000
LGA    L    87_C      L    87_B     0.307     0    0.009   0.084     0.501   97.619   98.810
LGA    I    88_C      I    88_B     0.467     0    0.044   0.169     0.708  100.000   95.238
LGA    E    89_C      E    89_B     0.608     0    0.041   0.238     1.436   92.857   88.519
LGA    P    90_C      P    90_B     0.668     0    0.040   0.041     0.730   92.857   91.837
LGA    N    91_C      N    91_B     0.378     0    0.062   0.114     0.608  100.000   98.810
LGA    N    92_C      N    92_B     0.334     0    0.008   0.188     0.774  100.000   96.429
LGA    Y    93_C      Y    93_B     0.253     0    0.040   0.074     0.331  100.000  100.000
LGA    V    94_C      V    94_B     0.312     0    0.015   0.081     0.805  100.000   95.918
LGA    R    95_C      R    95_B     0.220     0    0.039   0.172     0.818  100.000   99.134
LGA    L    96_C      L    96_B     0.323     0    0.049   0.172     0.642   97.619   98.810
LGA    R    97_C      R    97_B     0.302     0    0.031   1.077     6.362  100.000   71.429
LGA    L    98_C      L    98_B     0.252     0    0.034   0.071     0.377  100.000  100.000
LGA    I    99_C      I    99_B     0.395     0    0.030   0.384     1.453   97.619   95.298
LGA    E   100_C      E   100_B     0.661     0    0.038   0.598     1.566   92.857   87.566
LGA    K   101_C      K   101_B     0.652     0    0.103   0.836     3.788   90.595   75.979
LGA    I   102_C      I   102_B     0.515     0    0.024   0.061     0.555   90.476   95.238
LGA    D   103_C      D   103_B     0.538     0    0.025   0.085     0.548   95.238   95.238
LGA    I   104_C      I   104_B     0.275     0    0.030   0.659     1.380  100.000   91.845
LGA    L   105_C      L   105_B     0.699     0    0.037   0.122     1.625   90.476   86.012
LGA    E   106_C      E   106_B     0.635     0    0.063   0.546     2.892   95.238   87.884
LGA    V   107_C      V   107_B     0.258     0    0.018   0.037     0.350  100.000  100.000
LGA    E   108_C      E   108_B     0.235     0    0.036   0.200     0.857  100.000   97.884
LGA    N   109_C      N   109_B     0.496     0    0.032   0.105     0.700   95.238   92.857
LGA    H   110_C      H   110_B     0.569     0    0.041   1.149     2.620   92.857   84.571
LGA    L   111_C      L   111_B     0.518     0    0.046   0.048     0.616   90.476   95.238
LGA    K   112_C      K   112_B     0.533     0    0.098   0.598     2.154   90.476   85.820
LGA    F   113_C      F   113_B     0.427     0    0.048   0.074     0.720  100.000   96.537
LGA    L   114_C      L   114_B     0.334     0    0.048   0.053     0.549   97.619   97.619
LGA    F   115_C      F   115_B     0.485     0    0.014   0.065     0.711   95.238   92.208
LGA    D   116_C      D   116_B     0.485     0    0.122   0.298     1.223   97.619   94.107
LGA    N   117_C      N   117_B     0.719     0    0.348   1.183     5.945   64.286   51.488

# 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):     0.631          0.738                  1.207           95.090   91.004

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0    116    0.63    98.707    99.471    15.871

LGA_LOCAL      RMSD:   0.631  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.631  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   0.631  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.353114 * X  +   0.352387 * Y  +   0.866680 * Z  + -18.503111
  Y_new =  -0.918800 * X  +   0.305276 * Y  +   0.250226 * Z  + -16.286957
  Z_new =  -0.176400 * X  +  -0.884664 * Y  +   0.431570 * Z  +  -3.815973 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.203879  0.177328 -1.116928   [DEG:  -68.9772   10.1602  -63.9952 ]
ZXZ:  1.851871  1.124564 -2.944776   [DEG:  106.1044   64.4327 -168.7232 ]
 
# END of job
