
#######################################################
#                                                     #
#                        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       1.07     1.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       1.07     1.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71      17_A - 87_A        0.99     1.10
  LCS_AVERAGE:     60.20

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     71  104  104     30   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    18_A     E    18_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    19_A     E    19_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    20_A     M    20_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    21_A     N    21_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    22_A     K    22_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    23_A     V    23_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    24_A     H    24_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    25_A     N    25_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    26_A     I    26_A     71  104  104     45   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    27_A     K    27_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    28_A     C    28_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    29_A     H    29_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    30_A     F    30_A     71  104  104     29   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    31_A     D    31_A     71  104  104     17   67   89  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    32_A     N    32_A     71  104  104      5   44   85  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    33_A     C    33_A     71  104  104     22   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    34_A     N    34_A     71  104  104      3   22   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    35_A     R    35_A     71  104  104     18   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    36_A     K    36_A     71  104  104     23   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    37_A     I    37_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    38_A     H    38_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     W    39_A     W    39_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    40_A     K    40_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    41_A     I    41_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    42_A     R    42_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    43_A     Y    43_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    44_A     G    44_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    45_A     K    45_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    46_A     L    46_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    47_A     R    47_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    48_A     L    48_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    49_A     V    49_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    50_A     D    50_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    51_A     H    51_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    52_A     A    52_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    53_A     L    53_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    54_A     S    54_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    55_A     H    55_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    56_A     Q    56_A     71  104  104     44   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    57_A     E    57_A     71  104  104     36   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    58_A     E    58_A     71  104  104      7   63   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    59_A     K    59_A     71  104  104     29   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    60_A     S    60_A     71  104  104     20   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    61_A     I    61_A     71  104  104     34   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    62_A     D    62_A     71  104  104     24   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    63_A     C    63_A     71  104  104     24   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    64_A     Q    64_A     71  104  104     21   38   91  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    65_A     K    65_A     71  104  104     24   70   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    66_A     C    66_A     71  104  104     33   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    67_A     E    67_A     71  104  104     34   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    68_A     Y    68_A     71  104  104     45   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    69_A     S    69_A     71  104  104     36   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    70_A     C    70_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    71_A     Q    71_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    72_A     T    72_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    73_A     T    73_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    74_A     R    74_A     71  104  104     24   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    75_A     Q    75_A     71  104  104     24   72   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    76_A     M    76_A     71  104  104     33   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    77_A     R    77_A     71  104  104     24   72   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    78_A     Y    78_A     71  104  104     24   70   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    79_A     H    79_A     71  104  104     24   72   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    80_A     Y    80_A     71  104  104     24   70   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    81_A     K    81_A     71  104  104     24   64   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    82_A     K    82_A     71  104  104     24   58   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    83_A     I    83_A     71  104  104     24   70   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    84_A     H    84_A     71  104  104     24   69   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    85_A     A    85_A     71  104  104     24   44   91  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    86_A     N    86_A     71  104  104      7   39   82  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    87_A     L    87_A     71  104  104      7   39   88  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    88_A     K    88_A     67  104  104      7   39   91  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    89_A     M    89_A     67  104  104     10   57   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    90_A     E    90_A     67  104  104     11   57   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    91_A     G    91_A     67  104  104      4   66   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    92_A     F    92_A     67  104  104     39   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    93_A     G    93_A     67  104  104     18   70   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    94_A     I    94_A     67  104  104      4   66   89  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    95_A     L    95_A     67  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    96_A     N    96_A     67  104  104     45   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    97_A     I    97_A     67  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     P    98_A     P    98_A     67  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    99_A     L    99_A     67  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q   100_A     Q   100_A     66  104  104      3   10   61  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N   101_A     N   101_A     30  104  104      4   10   36   93  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T   102_A     T   102_A     30  104  104     17   62   90  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   103_A     K   103_A     30  104  104     45   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   104_A     F   104_A     30  104  104     44   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S   105_A     S   105_A     30  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   106_A     D   106_A     30  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V   107_A     V   107_A     30  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     W   108_A     W   108_A     30  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N   109_A     N   109_A     30  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   110_A     K   110_A     30  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C   111_A     C   111_A     30  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   112_A     F   112_A     30  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   113_A     G   113_A     30  104  104     14   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   114_A     D   114_A     30  104  104     14   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q   115_A     Q   115_A     30  104  104     23   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L   116_A     L   116_A     30  104  104     14   72   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   117_A     K   117_A     30  104  104     10   72   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T   118_A     T   118_A     30  104  104     11   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I   119_A     I   119_A     30  104  104     16   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   120_A     G   120_A     30  104  104     10   66   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_AVERAGE  LCS_A:  86.73  (  60.20  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     73     93    100    103    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  44.23  70.19  89.42  96.15  99.04 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.58   0.86   0.96   1.03   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07
GDT RMS_ALL_AT   1.49   1.28   1.08   1.08   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07

# 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     1.416     4    0.049   0.052     1.761   83.690   45.291
LGA    E    18_A      E    18_A     0.859     4    0.055   0.059     1.103   88.214   49.259
LGA    E    19_A      E    19_A     0.367     4    0.165   0.173     0.776   97.619   53.439
LGA    M    20_A      M    20_A     0.344     0    0.024   0.723     2.546  100.000   92.321
LGA    N    21_A      N    21_A     0.472     0    0.072   0.884     2.794  100.000   86.667
LGA    K    22_A      K    22_A     0.311     0    0.050   0.357     1.690  100.000   92.804
LGA    V    23_A      V    23_A     0.248     0    0.023   0.073     0.484  100.000  100.000
LGA    H    24_A      H    24_A     0.229     0    0.055   0.148     0.810   97.619   97.143
LGA    N    25_A      N    25_A     0.766     0    0.116   0.137     1.625   88.214   83.810
LGA    I    26_A      I    26_A     0.686     0    0.045   0.113     0.955   90.476   90.476
LGA    K    27_A      K    27_A     0.528     0    0.057   0.819     4.549   90.476   72.275
LGA    C    28_A      C    28_A     0.847     0    0.124   0.240     1.660   83.810   84.524
LGA    H    29_A      H    29_A     1.190     0    0.015   1.124     2.783   81.548   77.333
LGA    F    30_A      F    30_A     1.396     0    0.024   0.043     1.738   77.143   75.974
LGA    D    31_A      D    31_A     1.755     0    0.039   0.419     3.500   72.857   67.976
LGA    N    32_A      N    32_A     1.914     0    0.109   0.323     2.879   75.000   68.929
LGA    C    33_A      C    33_A     1.449     0    0.523   0.547     3.822   67.619   72.222
LGA    N    34_A      N    34_A     1.162     0    0.030   0.095     2.006   85.952   78.393
LGA    R    35_A      R    35_A     0.698     0    0.103   1.415     6.906   92.857   63.290
LGA    K    36_A      K    36_A     0.748     0    0.024   0.726     1.803   90.476   84.550
LGA    I    37_A      I    37_A     0.725     0    0.065   0.660     2.514   92.857   87.500
LGA    H    38_A      H    38_A     0.482     0    0.121   0.164     1.739   90.595   86.143
LGA    W    39_A      W    39_A     0.333     0    0.100   0.162     0.614   97.619   96.599
LGA    K    40_A      K    40_A     0.552     0    0.032   0.151     0.983   92.857   91.534
LGA    I    41_A      I    41_A     0.605     0    0.016   0.063     0.695   90.476   90.476
LGA    R    42_A      R    42_A     0.775     0    0.057   0.582     3.750   88.214   69.827
LGA    Y    43_A      Y    43_A     0.784     0    0.077   0.155     1.802   90.476   82.302
LGA    G    44_A      G    44_A     0.746     0    0.031   0.031     0.779   92.857   92.857
LGA    K    45_A      K    45_A     0.614     0    0.033   0.735     2.712   90.476   86.772
LGA    L    46_A      L    46_A     0.853     0    0.038   0.099     1.542   90.476   86.012
LGA    R    47_A      R    47_A     0.887     0    0.052   0.972     3.636   90.476   75.238
LGA    L    48_A      L    48_A     0.491     0    0.023   0.103     0.968   97.619   95.238
LGA    V    49_A      V    49_A     0.619     0    0.029   0.038     0.861   90.476   90.476
LGA    D    50_A      D    50_A     0.902     0    0.019   0.107     1.660   90.476   83.810
LGA    H    51_A      H    51_A     0.500     0    0.055   0.234     1.375   90.476   86.857
LGA    A    52_A      A    52_A     0.534     0    0.009   0.010     0.662   95.238   94.286
LGA    L    53_A      L    53_A     0.540     0    0.036   0.080     1.123   97.619   92.917
LGA    S    54_A      S    54_A     0.658     0    0.017   0.054     0.875   90.476   90.476
LGA    H    55_A      H    55_A     0.493     0    0.013   0.181     1.238   97.619   90.619
LGA    Q    56_A      Q    56_A     0.526     0    0.118   0.836     3.426   97.619   89.259
LGA    E    57_A      E    57_A     0.932     4    0.109   0.126     1.320   85.952   47.249
LGA    E    58_A      E    58_A     1.395     4    0.101   0.138     1.932   81.429   44.286
LGA    K    59_A      K    59_A     1.185     0    0.151   0.546     2.118   79.286   81.640
LGA    S    60_A      S    60_A     1.263     0    0.014   0.170     2.048   81.429   77.222
LGA    I    61_A      I    61_A     0.794     0    0.042   0.654     2.067   90.476   89.643
LGA    D    62_A      D    62_A     1.390     0    0.049   0.110     2.138   81.429   76.131
LGA    C    63_A      C    63_A     0.881     0    0.033   0.038     1.459   85.952   89.048
LGA    Q    64_A      Q    64_A     1.739     0    0.037   0.941     2.497   75.000   74.815
LGA    K    65_A      K    65_A     1.053     0    0.133   0.239     3.569   85.952   76.561
LGA    C    66_A      C    66_A     0.847     0    0.084   0.122     1.122   88.214   90.556
LGA    E    67_A      E    67_A     1.125     4    0.127   0.119     1.889   81.548   45.291
LGA    Y    68_A      Y    68_A     0.945     0    0.067   0.131     1.126   85.952   88.968
LGA    S    69_A      S    69_A     1.138     0    0.058   0.083     1.661   81.429   78.571
LGA    C    70_A      C    70_A     0.898     0    0.026   0.085     0.976   90.476   92.063
LGA    Q    71_A      Q    71_A     0.939     0    0.013   0.304     1.757   85.952   86.508
LGA    T    72_A      T    72_A     1.057     0    0.014   0.082     1.222   85.952   84.014
LGA    T    73_A      T    73_A     0.564     0    0.057   0.109     0.861   95.238   95.918
LGA    R    74_A      R    74_A     0.572     0    0.024   1.596     6.285   90.476   66.710
LGA    Q    75_A      Q    75_A     0.729     0    0.007   0.127     1.628   90.476   85.503
LGA    M    76_A      M    76_A     0.202     0    0.039   0.125     0.436  100.000  100.000
LGA    R    77_A      R    77_A     0.568     0    0.040   1.267     7.210   92.857   62.684
LGA    Y    78_A      Y    78_A     0.991     0    0.028   0.168     1.381   88.214   83.690
LGA    H    79_A      H    79_A     0.597     0    0.025   0.138     0.796   90.476   96.190
LGA    Y    80_A      Y    80_A     0.880     0    0.030   0.068     1.233   85.952   86.706
LGA    K    81_A      K    81_A     1.434     0    0.036   0.913     2.429   79.286   76.720
LGA    K    82_A      K    82_A     1.454     0    0.033   0.724     4.613   79.286   64.603
LGA    I    83_A      I    83_A     1.039     0    0.015   0.041     1.158   81.429   85.952
LGA    H    84_A      H    84_A     1.227     0    0.080   0.144     1.709   79.286   85.095
LGA    A    85_A      A    85_A     1.874     0    0.025   0.025     2.428   68.810   69.619
LGA    N    86_A      N    86_A     2.376     3    0.081   0.084     2.685   64.881   39.583
LGA    L    87_A      L    87_A     2.100     0    0.036   1.180     4.569   68.810   60.952
LGA    K    88_A      K    88_A     1.972     0    0.025   0.683     6.007   75.000   60.000
LGA    M    89_A      M    89_A     1.271     0    0.143   0.869     2.556   77.143   73.036
LGA    E    90_A      E    90_A     1.354     0    0.085   0.625     2.618   85.952   75.132
LGA    G    91_A      G    91_A     1.169     0    0.194   0.194     1.169   85.952   85.952
LGA    F    92_A      F    92_A     0.693     0    0.058   0.097     1.134   85.952   91.429
LGA    G    93_A      G    93_A     1.374     0    0.015   0.015     1.404   81.429   81.429
LGA    I    94_A      I    94_A     1.703     0    0.074   1.285     3.728   75.000   67.262
LGA    L    95_A      L    95_A     0.841     0    0.069   0.072     1.497   88.214   85.952
LGA    N    96_A      N    96_A     0.494     0    0.034   1.047     2.618   92.857   86.488
LGA    I    97_A      I    97_A     1.095     0    0.004   0.073     1.192   83.690   83.690
LGA    P    98_A      P    98_A     1.215     0    0.127   0.163     1.437   85.952   84.014
LGA    L    99_A      L    99_A     0.844     0    0.147   0.160     1.093   83.690   87.083
LGA    Q   100_A      Q   100_A     2.378     0    0.416   0.474     5.063   68.810   50.847
LGA    N   101_A      N   101_A     3.073     0    0.181   1.237     4.380   57.381   51.250
LGA    T   102_A      T   102_A     1.692     0    0.041   1.038     4.099   77.143   66.939
LGA    K   103_A      K   103_A     0.208     0    0.052   0.958     2.688   97.619   89.206
LGA    F   104_A      F   104_A     0.532     0    0.037   0.067     0.897   92.857   91.342
LGA    S   105_A      S   105_A     0.691     0    0.035   0.110     1.410   90.476   88.968
LGA    D   106_A      D   106_A     0.562     0    0.031   0.163     1.345   92.857   88.274
LGA    V   107_A      V   107_A     0.293     0    0.047   0.960     2.162  100.000   89.932
LGA    W   108_A      W   108_A     0.336     0    0.035   0.086     0.504   97.619   98.639
LGA    N   109_A      N   109_A     0.818     0    0.030   0.748     4.211   88.214   73.452
LGA    K   110_A      K   110_A     0.907     0    0.014   1.222     5.933   90.476   66.667
LGA    C   111_A      C   111_A     0.762     0    0.049   0.070     0.769   90.476   90.476
LGA    F   112_A      F   112_A     0.748     0    0.022   0.055     0.971   90.476   90.476
LGA    G   113_A      G   113_A     0.898     0    0.029   0.029     1.037   88.214   88.214
LGA    D   114_A      D   114_A     0.665     3    0.147   0.157     0.901   90.476   57.738
LGA    Q   115_A      Q   115_A     0.657     0    0.062   0.602     2.585   90.476   85.767
LGA    L   116_A      L   116_A     0.866     0    0.057   1.029     2.916   90.476   81.845
LGA    K   117_A      K   117_A     0.944     0    0.029   0.797     4.218   88.214   72.804
LGA    T   118_A      T   118_A     0.849     0    0.030   0.030     0.926   90.476   90.476
LGA    I   119_A      I   119_A     0.687     0    0.142   0.144     1.103   88.214   88.214
LGA    G   120_A      G   120_A     1.230     0    0.166   0.166     1.669   81.548   81.548

# 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):     1.070          1.067                  1.578           87.152   80.028

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    1.07    91.587    96.525     8.891

LGA_LOCAL      RMSD:   1.070  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.070  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   1.070  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.124725 * X  +   0.399346 * Y  +  -0.908277 * Z  +  -3.700157
  Y_new =  -0.857735 * X  +  -0.503543 * Y  +  -0.103610 * Z  +   4.619165
  Z_new =  -0.498733 * X  +   0.766138 * Y  +   0.405337 * Z  +  -1.435157 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.715196  0.522136  1.084168   [DEG:  -98.2735   29.9162   62.1182 ]
ZXZ: -1.457214  1.153449 -0.577057   [DEG:  -83.4922   66.0877  -33.0629 ]
 
# END of job
