
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.77     0.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.77     0.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.77     0.77
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A    104  104  104     30   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    18_A     E    18_A    104  104  104     51   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    19_A     E    19_A    104  104  104     58   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    20_A     M    20_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    21_A     N    21_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    22_A     K    22_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    23_A     V    23_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    24_A     H    24_A    104  104  104     58   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    25_A     N    25_A    104  104  104     36   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    26_A     I    26_A    104  104  104     57   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    27_A     K    27_A    104  104  104     57   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    28_A     C    28_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    29_A     H    29_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    30_A     F    30_A    104  104  104     57   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    31_A     D    31_A    104  104  104     41   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    32_A     N    32_A    104  104  104      7   33   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    33_A     C    33_A    104  104  104     21   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    34_A     N    34_A    104  104  104      3    4   64  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    35_A     R    35_A    104  104  104     25   87   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    36_A     K    36_A    104  104  104     30   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    37_A     I    37_A    104  104  104     58   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    38_A     H    38_A    104  104  104     29   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     W    39_A     W    39_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    40_A     K    40_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    41_A     I    41_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    42_A     R    42_A    104  104  104     55   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    43_A     Y    43_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    44_A     G    44_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    45_A     K    45_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    46_A     L    46_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    47_A     R    47_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    48_A     L    48_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    49_A     V    49_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    50_A     D    50_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    51_A     H    51_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    52_A     A    52_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    53_A     L    53_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    54_A     S    54_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    55_A     H    55_A    104  104  104     57   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    56_A     Q    56_A    104  104  104     58   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    57_A     E    57_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    58_A     E    58_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    59_A     K    59_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    60_A     S    60_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    61_A     I    61_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    62_A     D    62_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    63_A     C    63_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    64_A     Q    64_A    104  104  104     58   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    65_A     K    65_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    66_A     C    66_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    67_A     E    67_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    68_A     Y    68_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    69_A     S    69_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    70_A     C    70_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    71_A     Q    71_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    72_A     T    72_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    73_A     T    73_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    74_A     R    74_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    75_A     Q    75_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    76_A     M    76_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    77_A     R    77_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    78_A     Y    78_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    79_A     H    79_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    80_A     Y    80_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    81_A     K    81_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    82_A     K    82_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    83_A     I    83_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    84_A     H    84_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    85_A     A    85_A    104  104  104     57   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    86_A     N    86_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    87_A     L    87_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    88_A     K    88_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    89_A     M    89_A    104  104  104     22   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    90_A     E    90_A    104  104  104     56   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    91_A     G    91_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    92_A     F    92_A    104  104  104     56   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    93_A     G    93_A    104  104  104     18   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    94_A     I    94_A    104  104  104     18   91   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    95_A     L    95_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    96_A     N    96_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    97_A     I    97_A    104  104  104     10   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     P    98_A     P    98_A    104  104  104     22   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    99_A     L    99_A    104  104  104     17   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q   100_A     Q   100_A    104  104  104      8   22   49  101  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N   101_A     N   101_A    104  104  104      8   19   49  101  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T   102_A     T   102_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   103_A     K   103_A    104  104  104     32   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   104_A     F   104_A    104  104  104     57   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S   105_A     S   105_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   106_A     D   106_A    104  104  104     57   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V   107_A     V   107_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     W   108_A     W   108_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N   109_A     N   109_A    104  104  104     57   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   110_A     K   110_A    104  104  104     21   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C   111_A     C   111_A    104  104  104     59   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   112_A     F   112_A    104  104  104     29   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   113_A     G   113_A    104  104  104      3   32   70  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   114_A     D   114_A    104  104  104      3   61   98  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q   115_A     Q   115_A    104  104  104     26   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L   116_A     L   116_A    104  104  104     30   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   117_A     K   117_A    104  104  104      6   88   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T   118_A     T   118_A    104  104  104     25   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I   119_A     I   119_A    104  104  104     30   93   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   120_A     G   120_A    104  104  104      6   27   99  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
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     59     93     99    102    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  56.73  89.42  95.19  98.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.52   0.63   0.72   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77
GDT RMS_ALL_AT   0.82   0.79   0.78   0.78   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77   0.77

# Checking swapping
#   possible swapping detected:  F    30_A      F    30_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  F   104_A      F   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     0.761     4    0.050   0.063     0.976   92.857   51.323
LGA    E    18_A      E    18_A     0.570     4    0.014   0.015     0.691   95.238   52.381
LGA    E    19_A      E    19_A     0.235     4    0.177   0.189     0.510   97.619   54.497
LGA    M    20_A      M    20_A     0.409     0    0.021   0.712     2.477  100.000   90.893
LGA    N    21_A      N    21_A     0.444     0    0.108   1.007     4.233   97.619   80.952
LGA    K    22_A      K    22_A     0.441     0    0.011   0.396     1.767   97.619   91.746
LGA    V    23_A      V    23_A     0.483     0    0.034   0.053     1.008  100.000   94.626
LGA    H    24_A      H    24_A     0.478     0    0.049   0.182     0.886   95.238   94.286
LGA    N    25_A      N    25_A     0.623     0    0.123   0.310     1.756   90.595   87.202
LGA    I    26_A      I    26_A     0.462     0    0.027   0.080     0.487  100.000  100.000
LGA    K    27_A      K    27_A     0.502     0    0.044   0.857     5.295   92.857   72.116
LGA    C    28_A      C    28_A     0.325     0    0.097   0.158     1.112   92.976   92.143
LGA    H    29_A      H    29_A     0.612     0    0.034   0.074     0.754   92.857   91.429
LGA    F    30_A      F    30_A     0.872     0    0.014   0.033     1.676   90.476   82.381
LGA    D    31_A      D    31_A     0.821     0    0.087   0.726     2.352   83.810   79.464
LGA    N    32_A      N    32_A     1.827     0    0.084   0.433     2.676   79.286   69.167
LGA    C    33_A      C    33_A     0.916     0    0.525   0.535     2.772   82.143   84.921
LGA    N    34_A      N    34_A     2.270     0    0.029   0.130     3.781   68.810   57.738
LGA    R    35_A      R    35_A     1.270     0    0.060   1.461     7.962   85.952   55.714
LGA    K    36_A      K    36_A     0.960     0    0.032   0.705     1.746   85.952   86.614
LGA    I    37_A      I    37_A     0.580     0    0.050   0.672     2.808   90.476   88.690
LGA    H    38_A      H    38_A     0.937     0    0.126   0.895     3.190   83.810   76.810
LGA    W    39_A      W    39_A     0.589     0    0.066   0.121     0.694   92.857   95.918
LGA    K    40_A      K    40_A     0.322     0    0.023   0.091     0.675  100.000   96.825
LGA    I    41_A      I    41_A     0.339     0    0.052   0.106     0.573  100.000   98.810
LGA    R    42_A      R    42_A     0.714     0    0.107   0.757     2.952   90.476   72.900
LGA    Y    43_A      Y    43_A     0.604     0    0.037   0.090     1.678   95.238   86.825
LGA    G    44_A      G    44_A     0.526     0    0.005   0.005     0.543   90.476   90.476
LGA    K    45_A      K    45_A     0.440     0    0.009   0.670     3.224   97.619   90.265
LGA    L    46_A      L    46_A     0.454     0    0.025   0.114     0.531  100.000   97.619
LGA    R    47_A      R    47_A     0.535     0    0.019   1.325     4.976   97.619   77.576
LGA    L    48_A      L    48_A     0.398     0    0.013   0.076     0.631  100.000   97.619
LGA    V    49_A      V    49_A     0.316     0    0.055   0.073     0.518  100.000   98.639
LGA    D    50_A      D    50_A     0.377     0    0.039   0.206     0.978  100.000   95.238
LGA    H    51_A      H    51_A     0.421     0    0.021   0.408     1.827   97.619   88.952
LGA    A    52_A      A    52_A     0.615     0    0.027   0.037     0.681   90.476   90.476
LGA    L    53_A      L    53_A     0.341     0    0.042   0.075     0.621  100.000   98.810
LGA    S    54_A      S    54_A     0.452     0    0.026   0.045     0.598   95.238   96.825
LGA    H    55_A      H    55_A     0.752     0    0.054   0.223     2.025   90.476   81.667
LGA    Q    56_A      Q    56_A     0.611     0    0.050   0.676     1.657   95.238   89.630
LGA    E    57_A      E    57_A     0.342     4    0.050   0.068     0.437  100.000   55.556
LGA    E    58_A      E    58_A     0.349     4    0.078   0.084     0.587   97.619   53.439
LGA    K    59_A      K    59_A     0.193     0    0.080   0.532     2.666  100.000   92.063
LGA    S    60_A      S    60_A     0.291     0    0.022   0.669     2.201  100.000   94.127
LGA    I    61_A      I    61_A     0.320     0    0.082   0.628     1.455  100.000   96.488
LGA    D    62_A      D    62_A     0.484     0    0.037   0.173     0.622   97.619   95.238
LGA    C    63_A      C    63_A     0.285     0    0.098   0.135     0.834   97.619   98.413
LGA    Q    64_A      Q    64_A     0.563     0    0.057   0.944     2.688   95.238   87.884
LGA    K    65_A      K    65_A     0.220     0    0.118   0.284     2.002   95.357   89.841
LGA    C    66_A      C    66_A     0.198     0    0.082   0.191     0.515   97.619   98.413
LGA    E    67_A      E    67_A     0.207     4    0.124   0.117     0.880   97.619   54.497
LGA    Y    68_A      Y    68_A     0.260     0    0.092   0.164     0.620   97.619   99.206
LGA    S    69_A      S    69_A     0.300     0    0.055   0.663     1.937  100.000   95.476
LGA    C    70_A      C    70_A     0.156     0    0.044   0.123     0.483  100.000  100.000
LGA    Q    71_A      Q    71_A     0.363     0    0.026   0.378     1.978  100.000   91.746
LGA    T    72_A      T    72_A     0.263     0    0.040   0.064     0.629  100.000   97.279
LGA    T    73_A      T    73_A     0.159     0    0.018   0.070     0.204  100.000  100.000
LGA    R    74_A      R    74_A     0.287     0    0.019   1.210     6.347  100.000   73.247
LGA    Q    75_A      Q    75_A     0.215     0    0.036   0.199     0.868  100.000   98.942
LGA    M    76_A      M    76_A     0.150     0    0.025   0.114     0.329  100.000  100.000
LGA    R    77_A      R    77_A     0.178     0    0.026   1.134     5.107  100.000   82.857
LGA    Y    78_A      Y    78_A     0.168     0    0.029   0.091     0.707  100.000   96.825
LGA    H    79_A      H    79_A     0.157     0    0.054   0.085     0.214  100.000  100.000
LGA    Y    80_A      Y    80_A     0.143     0    0.049   0.047     0.245  100.000  100.000
LGA    K    81_A      K    81_A     0.233     0    0.046   0.926     4.833  100.000   82.857
LGA    K    82_A      K    82_A     0.305     0    0.014   0.200     1.037  100.000   94.762
LGA    I    83_A      I    83_A     0.099     0    0.020   0.054     0.247  100.000  100.000
LGA    H    84_A      H    84_A     0.255     0    0.063   0.067     0.314  100.000  100.000
LGA    A    85_A      A    85_A     0.532     0    0.012   0.017     0.756   95.238   94.286
LGA    N    86_A      N    86_A     0.521     3    0.115   0.124     1.028   97.619   58.988
LGA    L    87_A      L    87_A     0.228     0    0.017   1.072     3.107  100.000   87.202
LGA    K    88_A      K    88_A     0.516     0    0.011   1.053     5.871   92.857   67.196
LGA    M    89_A      M    89_A     0.804     0    0.133   0.898     2.438   90.476   83.869
LGA    E    90_A      E    90_A     0.620     0    0.097   0.638     2.392   88.214   81.799
LGA    G    91_A      G    91_A     0.587     0    0.184   0.184     0.587   92.857   92.857
LGA    F    92_A      F    92_A     0.590     0    0.041   0.085     0.746   90.476   94.805
LGA    G    93_A      G    93_A     1.084     0    0.025   0.025     1.092   83.690   83.690
LGA    I    94_A      I    94_A     1.191     0    0.032   1.161     3.420   85.952   79.762
LGA    L    95_A      L    95_A     0.525     0    0.037   0.082     1.210   95.238   90.595
LGA    N    96_A      N    96_A     0.437     0    0.091   1.058     2.621   92.976   86.548
LGA    I    97_A      I    97_A     0.829     0    0.038   0.117     1.063   90.476   88.214
LGA    P    98_A      P    98_A     0.937     0    0.071   0.076     1.144   90.476   86.599
LGA    L    99_A      L    99_A     0.704     0    0.115   0.169     0.967   90.476   94.048
LGA    Q   100_A      Q   100_A     1.991     0    0.394   0.494     5.190   72.857   54.815
LGA    N   101_A      N   101_A     2.235     0    0.156   0.803     4.576   73.095   61.071
LGA    T   102_A      T   102_A     0.491     0    0.033   1.084     3.225   95.238   83.742
LGA    K   103_A      K   103_A     0.769     0    0.037   0.946     3.149   92.857   79.365
LGA    F   104_A      F   104_A     0.456     0    0.024   0.098     0.804   97.619   93.074
LGA    S   105_A      S   105_A     0.230     0    0.014   0.025     0.620  100.000   98.413
LGA    D   106_A      D   106_A     0.695     0    0.030   0.124     0.861   90.476   90.476
LGA    V   107_A      V   107_A     0.591     0    0.032   0.931     2.080   90.476   83.129
LGA    W   108_A      W   108_A     0.469     0    0.030   0.070     0.746   95.238   93.878
LGA    N   109_A      N   109_A     0.827     0    0.018   0.767     3.573   90.476   76.071
LGA    K   110_A      K   110_A     0.967     0    0.024   1.264     5.846   90.476   65.661
LGA    C   111_A      C   111_A     0.481     0    0.035   0.793     2.438   97.619   90.952
LGA    F   112_A      F   112_A     0.699     0    0.194   0.266     2.271   81.786   78.442
LGA    G   113_A      G   113_A     2.331     0    0.380   0.380     2.331   75.119   75.119
LGA    D   114_A      D   114_A     1.628     3    0.148   0.155     2.318   77.143   46.667
LGA    Q   115_A      Q   115_A     1.002     0    0.173   0.205     1.429   85.952   88.466
LGA    L   116_A      L   116_A     1.044     0    0.051   1.050     2.533   81.429   75.238
LGA    K   117_A      K   117_A     1.326     0    0.018   0.831     5.914   81.429   63.333
LGA    T   118_A      T   118_A     0.643     0    0.027   0.062     1.069   88.214   89.184
LGA    I   119_A      I   119_A     0.712     0    0.114   0.124     1.520   83.810   86.012
LGA    G   120_A      G   120_A     1.848     0    0.109   0.109     2.430   70.952   70.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):     0.772          0.764                  1.415           93.222   84.845

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.77    96.875    98.672    11.925

LGA_LOCAL      RMSD:   0.772  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.772  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.772  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.415736 * X  +   0.841526 * Y  +   0.344960 * Z  +   0.840249
  Y_new =   0.465794 * X  +   0.522781 * Y  +  -0.713958 * Z  +   3.037576
  Z_new =  -0.781152 * X  +  -0.136138 * Y  +  -0.609317 * Z  +  -2.567998 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.299470  0.896510 -2.921776   [DEG:  131.7500   51.3662 -167.4054 ]
ZXZ:  0.450089  2.225995 -1.743342   [DEG:   25.7882  127.5401  -99.8861 ]
 
# END of job
