
#######################################################
#                                                     #
#                        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       0.84     0.84
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.84     0.84
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.84     0.84
  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     19   87  100  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     42   87  100  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     43   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     35   87  100  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     29   87  100  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     26   87  100  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     23   87  100  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   30   97  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     25   87  100  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     16   61   95  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  100  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     27   87  100  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     42   87  100  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     32   87  100  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     40   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     35   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     44   87  100  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     46   87  100  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     42   87  100  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     42   87  100  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     40   87  100  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     46   87  100  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     36   87  100  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     46   87  100  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     29   85  100  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     46   87  100  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     46   87  100  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     46   87  100  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     36   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     40   87  100  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     36   87  100  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     45   87  100  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     21   87  100  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      8   87  100  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     16   87  100  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     40   87  100  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     21   87  100  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      9   87  100  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     16   87  100  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     42   87  100  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     39   87  100  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      6   80  100  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     16   79  100  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     35   87  100  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      4    7   26   89  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      4    7   26   45  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     16   87  100  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     46   87  100  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     46   87  100  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     46   87  100  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     44   87  100  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     45   87  100  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     46   87  100  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     42   87  100  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     32   87  100  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     32   87  100  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     32   87  100  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     26   87  100  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     25   87  100  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     25   87  100  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     16   87  100  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      9   74  100  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     16   87  100  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     16   87  100  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      9   74  100  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     46     87    100    102    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  44.23  83.65  96.15  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    0.33   0.59   0.70   0.74   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84
GDT RMS_ALL_AT   0.90   0.85   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84

# 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     1.209     4    0.033   0.032     1.418   85.952   47.249
LGA    E    18_A      E    18_A     0.866     4    0.019   0.021     1.023   88.214   49.259
LGA    E    19_A      E    19_A     0.678     4    0.166   0.179     0.983   90.476   50.265
LGA    M    20_A      M    20_A     0.475     0    0.026   0.722     2.640   92.857   87.560
LGA    N    21_A      N    21_A     0.549     0    0.109   0.984     3.621   90.476   81.369
LGA    K    22_A      K    22_A     0.499     0    0.033   0.401     2.199   95.238   88.730
LGA    V    23_A      V    23_A     0.583     0    0.051   0.076     0.919   90.476   90.476
LGA    H    24_A      H    24_A     0.441     0    0.058   1.100     2.791   97.619   85.667
LGA    N    25_A      N    25_A     0.128     0    0.088   0.317     1.961   97.619   94.226
LGA    I    26_A      I    26_A     0.208     0    0.015   0.095     0.464  100.000  100.000
LGA    K    27_A      K    27_A     0.222     0    0.081   0.899     5.203  100.000   76.349
LGA    C    28_A      C    28_A     0.743     0    0.104   0.181     1.445   85.952   85.952
LGA    H    29_A      H    29_A     1.029     0    0.017   0.281     1.340   83.690   85.048
LGA    F    30_A      F    30_A     1.311     0    0.019   0.052     1.871   81.429   76.753
LGA    D    31_A      D    31_A     1.420     0    0.074   0.736     1.773   77.143   78.274
LGA    N    32_A      N    32_A     1.887     0    0.079   0.504     2.521   72.857   67.857
LGA    C    33_A      C    33_A     1.301     0    0.521   0.538     3.347   73.571   76.190
LGA    N    34_A      N    34_A     1.645     0    0.031   0.169     2.720   77.143   68.095
LGA    R    35_A      R    35_A     1.061     0    0.077   1.107     8.733   88.214   55.584
LGA    K    36_A      K    36_A     0.673     0    0.019   0.705     1.546   90.476   85.503
LGA    I    37_A      I    37_A     0.395     0    0.052   0.671     2.823  100.000   92.262
LGA    H    38_A      H    38_A     0.647     0    0.112   0.144     1.539   88.452   88.810
LGA    W    39_A      W    39_A     0.578     0    0.093   0.164     0.776   90.476   91.837
LGA    K    40_A      K    40_A     0.419     0    0.023   0.120     1.058  100.000   95.820
LGA    I    41_A      I    41_A     0.279     0    0.053   0.082     0.382  100.000  100.000
LGA    R    42_A      R    42_A     0.424     0    0.098   0.753     3.414   97.619   73.939
LGA    Y    43_A      Y    43_A     0.457     0    0.037   0.157     1.834  100.000   87.698
LGA    G    44_A      G    44_A     0.234     0    0.018   0.018     0.367  100.000  100.000
LGA    K    45_A      K    45_A     0.332     0    0.014   0.651     2.952  100.000   92.116
LGA    L    46_A      L    46_A     0.351     0    0.018   0.121     0.926  100.000   97.619
LGA    R    47_A      R    47_A     0.587     0    0.020   1.020     3.002   97.619   82.208
LGA    L    48_A      L    48_A     0.435     0    0.015   0.089     0.887  100.000   96.429
LGA    V    49_A      V    49_A     0.176     0    0.056   0.069     0.400  100.000  100.000
LGA    D    50_A      D    50_A     0.363     0    0.036   0.158     1.286  100.000   92.976
LGA    H    51_A      H    51_A     0.440     0    0.022   0.249     1.977  100.000   89.905
LGA    A    52_A      A    52_A     0.495     0    0.029   0.041     0.498  100.000  100.000
LGA    L    53_A      L    53_A     0.235     0    0.039   0.059     0.594  100.000   97.619
LGA    S    54_A      S    54_A     0.561     0    0.021   0.031     0.729   92.857   92.063
LGA    H    55_A      H    55_A     0.678     0    0.060   0.176     1.549   90.476   85.095
LGA    Q    56_A      Q    56_A     0.563     0    0.091   0.685     1.602   95.238   89.630
LGA    E    57_A      E    57_A     0.669     4    0.042   0.063     0.963   92.857   51.323
LGA    E    58_A      E    58_A     0.811     4    0.089   0.097     1.167   95.238   51.376
LGA    K    59_A      K    59_A     0.586     0    0.059   0.531     2.921   90.476   86.825
LGA    S    60_A      S    60_A     1.140     0    0.013   0.681     2.497   85.952   80.238
LGA    I    61_A      I    61_A     0.346     0    0.064   0.636     1.974  100.000   96.607
LGA    D    62_A      D    62_A     0.627     0    0.041   0.196     1.107   90.476   89.345
LGA    C    63_A      C    63_A     0.342     0    0.056   0.073     0.772   95.238   96.825
LGA    Q    64_A      Q    64_A     0.916     0    0.049   0.997     2.177   90.476   82.698
LGA    K    65_A      K    65_A     0.306     0    0.105   0.279     2.729   95.238   85.926
LGA    C    66_A      C    66_A     0.298     0    0.068   0.153     0.548   97.619   98.413
LGA    E    67_A      E    67_A     0.359     4    0.113   0.107     1.011   92.976   52.434
LGA    Y    68_A      Y    68_A     0.380     0    0.067   0.134     0.697   97.619   96.032
LGA    S    69_A      S    69_A     0.488     0    0.051   0.104     0.702   97.619   95.238
LGA    C    70_A      C    70_A     0.515     0    0.042   0.051     0.533   95.238   95.238
LGA    Q    71_A      Q    71_A     0.313     0    0.047   0.326     1.898   97.619   93.810
LGA    T    72_A      T    72_A     0.433     0    0.037   0.073     0.580   97.619   97.279
LGA    T    73_A      T    73_A     0.387     0    0.023   0.100     0.473  100.000  100.000
LGA    R    74_A      R    74_A     0.298     0    0.019   1.405     6.706  100.000   73.420
LGA    Q    75_A      Q    75_A     0.373     0    0.040   0.150     0.907  100.000   95.767
LGA    M    76_A      M    76_A     0.177     0    0.029   0.108     0.335  100.000  100.000
LGA    R    77_A      R    77_A     0.337     0    0.029   1.118     6.827   97.619   68.918
LGA    Y    78_A      Y    78_A     0.537     0    0.035   0.080     0.735   95.238   92.063
LGA    H    79_A      H    79_A     0.302     0    0.058   0.067     0.396  100.000  100.000
LGA    Y    80_A      Y    80_A     0.451     0    0.039   0.040     0.557   95.238   98.413
LGA    K    81_A      K    81_A     0.656     0    0.067   0.905     3.382   90.476   82.063
LGA    K    82_A      K    82_A     0.618     0    0.018   0.928     6.473   90.476   66.825
LGA    I    83_A      I    83_A     0.541     0    0.022   0.056     0.616   90.476   95.238
LGA    H    84_A      H    84_A     0.661     0    0.064   0.065     0.799   90.476   93.333
LGA    A    85_A      A    85_A     0.942     0    0.009   0.016     1.186   88.214   88.667
LGA    N    86_A      N    86_A     1.099     3    0.115   0.124     1.390   83.690   52.024
LGA    L    87_A      L    87_A     0.951     0    0.030   1.107     3.451   88.214   78.095
LGA    K    88_A      K    88_A     0.869     0    0.014   0.774     4.472   90.476   76.878
LGA    M    89_A      M    89_A     0.872     0    0.123   0.903     2.447   88.214   82.738
LGA    E    90_A      E    90_A     1.023     0    0.054   0.588     1.894   85.952   81.534
LGA    G    91_A      G    91_A     0.562     0    0.061   0.061     0.740   90.476   90.476
LGA    F    92_A      F    92_A     0.722     0    0.034   0.094     0.875   90.476   95.671
LGA    G    93_A      G    93_A     0.976     0    0.021   0.021     0.987   90.476   90.476
LGA    I    94_A      I    94_A     1.025     0    0.059   1.297     2.570   88.214   77.619
LGA    L    95_A      L    95_A     0.609     0    0.059   0.097     1.650   90.476   86.012
LGA    N    96_A      N    96_A     0.748     0    0.086   1.061     3.135   83.810   80.952
LGA    I    97_A      I    97_A     1.153     0    0.029   0.070     1.343   83.690   82.560
LGA    P    98_A      P    98_A     1.202     0    0.084   0.078     1.440   85.952   84.014
LGA    L    99_A      L    99_A     0.613     0    0.121   0.152     1.198   85.952   87.143
LGA    Q   100_A      Q   100_A     2.728     0    0.404   0.930     7.831   60.952   41.376
LGA    N   101_A      N   101_A     2.907     0    0.177   1.258     3.846   62.976   54.821
LGA    T   102_A      T   102_A     1.009     0    0.057   1.086     3.462   88.333   78.707
LGA    K   103_A      K   103_A     0.572     0    0.051   0.975     2.632   92.857   83.968
LGA    F   104_A      F   104_A     0.521     0    0.024   0.073     0.640   95.238   93.939
LGA    S   105_A      S   105_A     0.338     0    0.019   0.129     1.173  100.000   95.317
LGA    D   106_A      D   106_A     0.461     0    0.044   0.184     0.883   95.238   92.857
LGA    V   107_A      V   107_A     0.539     0    0.029   0.945     2.351   90.476   83.129
LGA    W   108_A      W   108_A     0.377     0    0.032   0.098     0.506   97.619   99.320
LGA    N   109_A      N   109_A     0.775     0    0.018   0.782     3.959   90.476   76.250
LGA    K   110_A      K   110_A     0.968     0    0.025   1.217     5.586   90.476   66.455
LGA    C   111_A      C   111_A     0.798     0    0.047   0.059     0.844   90.476   90.476
LGA    F   112_A      F   112_A     0.840     0    0.012   0.054     1.044   90.476   88.831
LGA    G   113_A      G   113_A     1.078     0    0.037   0.037     1.170   83.690   83.690
LGA    D   114_A      D   114_A     0.858     3    0.122   0.127     0.858   90.476   56.548
LGA    Q   115_A      Q   115_A     0.717     0    0.081   0.101     0.903   90.476   90.476
LGA    L   116_A      L   116_A     0.942     0    0.064   1.061     2.890   85.952   78.512
LGA    K   117_A      K   117_A     1.225     0    0.016   0.799     5.117   81.429   64.497
LGA    T   118_A      T   118_A     0.699     0    0.013   0.035     0.776   90.476   90.476
LGA    I   119_A      I   119_A     0.787     0    0.151   0.150     1.278   88.214   85.952
LGA    G   120_A      G   120_A     1.389     0    0.139   0.139     1.959   77.143   77.143

# 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):     0.836          0.832                  1.486           91.559   83.651

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.84    95.433    98.288    11.112

LGA_LOCAL      RMSD:   0.836  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.836  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.836  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.845784 * X  +  -0.184410 * Y  +   0.500641 * Z  +   1.081000
  Y_new =  -0.308927 * X  +  -0.595780 * Y  +  -0.741357 * Z  +   1.636045
  Z_new =   0.434986 * X  +  -0.781690 * Y  +   0.446932 * Z  +  -4.390873 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.791393 -0.450022 -1.051407   [DEG: -159.9350  -25.7844  -60.2412 ]
ZXZ:  0.593958  1.107463  2.633797   [DEG:   34.0313   63.4530  150.9054 ]
 
# END of job
