
#######################################################
#                                                     #
#                        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  128 ( 1049),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  864),  selected  105 , 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:   105      22_A - 126_A       1.61     1.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105      22_A - 126_A       1.61     1.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      22_A - 90_A        0.93     1.72
  LONGEST_CONTINUOUS_SEGMENT:    69      23_A - 91_A        0.95     1.67
  LCS_AVERAGE:     52.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     N    22_A     N    22_A     69  105  105      3    8   31   42   96  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    23_A     K    23_A     69  105  105     23   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    24_A     V    24_A     69  105  105     41   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    25_A     H    25_A     69  105  105     40   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    26_A     I    26_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    27_A     I    27_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    28_A     K    28_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    29_A     C    29_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    30_A     H    30_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    31_A     F    31_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    32_A     D    32_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    33_A     K    33_A     69  105  105     15   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    34_A     C    34_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    35_A     N    35_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    36_A     K    36_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    37_A     S    37_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    38_A     Y    38_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    39_A     N    39_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     W    40_A     W    40_A     69  105  105     38   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    41_A     R    41_A     69  105  105     30   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    42_A     K    42_A     69  105  105     30   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    43_A     K    43_A     69  105  105     30   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    44_A     Y    44_A     69  105  105     30   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    45_A     G    45_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    46_A     K    46_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    47_A     L    47_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    48_A     R    48_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    49_A     L    49_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    50_A     V    50_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    51_A     D    51_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    52_A     H    52_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    53_A     A    53_A     69  105  105     37   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    54_A     F    54_A     69  105  105     15   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    55_A     T    55_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    56_A     H    56_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    57_A     V    57_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    58_A     P    58_A     69  105  105      3    5   76   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    59_A     H    59_A     69  105  105     25   74   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    60_A     L    60_A     69  105  105     25   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    61_A     K    61_A     69  105  105     39   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     M    62_A     M    62_A     69  105  105     37   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    63_A     K    63_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    64_A     C    64_A     69  105  105     40   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    65_A     N    65_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    66_A     F    66_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    67_A     C    67_A     69  105  105     42   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    68_A     D    68_A     69  105  105     39   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    69_A     Y    69_A     69  105  105     39   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     M    70_A     M    70_A     69  105  105     39   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C    71_A     C    71_A     69  105  105     34   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    72_A     K    72_A     69  105  105     39   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    73_A     G    73_A     69  105  105     35   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    74_A     I    74_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    75_A     R    75_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    76_A     N    76_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    77_A     I    77_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R    78_A     R    78_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    79_A     L    79_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    80_A     H    80_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    81_A     H    81_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    82_A     K    82_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    83_A     K    83_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    84_A     S    84_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H    85_A     H    85_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    86_A     P    86_A     69  105  105     15   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    87_A     D    87_A     69  105  105     13   53   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    88_A     E    88_A     69  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q    89_A     Q    89_A     69  105  105      4    5   51   93   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    90_A     L    90_A     69  105  105      3    3    7    9   11  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    91_A     T    91_A     69  105  105      3   26   50   67   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    92_A     G    92_A      4  105  105      3   19   42   64   76   92  101  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    93_A     F    93_A     30  105  105     19   62   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    94_A     G    94_A     30  105  105     26   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    95_A     I    95_A     30  105  105     40   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    96_A     K    96_A     30  105  105      5   22   87   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    97_A     S    97_A     30  105  105      5   37   77   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    98_A     V    98_A     30  105  105      8   56   88   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    99_A     V    99_A     30  105  105      4   44   88   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R   100_A     R   100_A     30  105  105     20   62   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     T   101_A     T   101_A     30  105  105     33   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S   102_A     S   102_A     30  105  105      3   67   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   103_A     K   103_A     30  105  105      3   51   86   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   104_A     K   104_A     30  105  105     10   61   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G   105_A     G   105_A     30  105  105     10   27   85   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   106_A     K   106_A     30  105  105     10   58   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D   107_A     D   107_A     30  105  105     15   73   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L   108_A     L   108_A     30  105  105     10   64   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   109_A     A   109_A     30  105  105     40   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   110_A     K   110_A     30  105  105     44   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V   111_A     V   111_A     30  105  105     40   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     W   112_A     W   112_A     30  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     D   113_A     D   113_A     30  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     E   114_A     E   114_A     30  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     C   115_A     C   115_A     30  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     F   116_A     F   116_A     30  105  105     35   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   117_A     K   117_A     30  105  105     16   69   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     K   118_A     K   118_A     30  105  105     28   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     N   119_A     N   119_A     30  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     R   120_A     R   120_A     30  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     V   121_A     V   121_A     30  105  105     45   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     L   122_A     L   122_A     30  105  105     36   75   89   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q   123_A     Q   123_A     26  105  105      8   53   82   97   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     H   124_A     H   124_A     25  105  105      3    4   69   95   99  100  102  103  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     G   125_A     G   125_A      3  105  105      3    3    4    4   15   27   54  100  104  104  104  104  104  104  105  105  105  105  105  105 
LCS_GDT     S   126_A     S   126_A      3  105  105      3    3    4    4    4    4    7    7    8   10   13   48   54  104  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  84.18  (  52.53  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     45     75     89     97     99    100    102    103    104    104    104    104    104    104    105    105    105    105    105    105 
GDT PERCENT_AT  42.86  71.43  84.76  92.38  94.29  95.24  97.14  98.10  99.05  99.05  99.05  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.57   0.75   0.91   0.96   1.01   1.14   1.21   1.30   1.30   1.30   1.30   1.30   1.30   1.61   1.61   1.61   1.61   1.61   1.61
GDT RMS_ALL_AT   1.67   1.67   1.64   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.62   1.61   1.61   1.61   1.61   1.61   1.61

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  D   113_A      D   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A     3.617     0    0.336   0.948     5.799   54.048   42.976
LGA    K    23_A      K    23_A     0.995     0    0.144   0.799     4.245   83.810   73.968
LGA    V    24_A      V    24_A     0.516     0    0.044   0.049     0.649   90.476   93.197
LGA    H    25_A      H    25_A     0.648     0    0.071   0.093     0.913   90.476   90.476
LGA    I    26_A      I    26_A     0.440     0    0.014   1.494     3.527  100.000   82.202
LGA    I    27_A      I    27_A     0.321     0    0.046   0.065     0.494  100.000  100.000
LGA    K    28_A      K    28_A     0.163     0    0.010   0.113     0.813  100.000   97.884
LGA    C    29_A      C    29_A     0.255     0    0.038   0.088     0.583   97.619   98.413
LGA    H    30_A      H    30_A     0.311     0    0.014   0.196     1.125  100.000   93.429
LGA    F    31_A      F    31_A     0.402     0    0.033   0.102     0.592  100.000   94.805
LGA    D    32_A      D    32_A     0.358     0    0.034   0.399     1.229   95.238   91.786
LGA    K    33_A      K    33_A     0.863     0    0.028   0.882     3.395   90.476   79.259
LGA    C    34_A      C    34_A     0.604     0    0.119   0.128     0.694   90.476   90.476
LGA    N    35_A      N    35_A     0.421     0    0.026   0.116     0.802  100.000   95.238
LGA    K    36_A      K    36_A     0.188     0    0.045   0.912     3.567  100.000   81.111
LGA    S    37_A      S    37_A     0.261     0    0.035   0.042     0.370  100.000  100.000
LGA    Y    38_A      Y    38_A     0.402     0    0.065   0.136     0.865   97.619   93.651
LGA    N    39_A      N    39_A     0.239     0    0.124   0.329     1.640  100.000   95.417
LGA    W    40_A      W    40_A     0.581     0    0.018   0.169     0.664   90.476   97.279
LGA    R    41_A      R    41_A     0.792     0    0.050   1.039     4.922   90.476   73.593
LGA    K    42_A      K    42_A     0.986     0    0.020   0.811     4.505   85.952   69.259
LGA    K    43_A      K    43_A     1.257     0    0.031   0.802     7.456   81.429   59.841
LGA    Y    44_A      Y    44_A     0.939     0    0.126   0.225     2.176   88.214   78.770
LGA    G    45_A      G    45_A     0.352     0    0.040   0.040     0.656   97.619   97.619
LGA    K    46_A      K    46_A     0.424     0    0.071   0.551     1.799  100.000   92.804
LGA    L    47_A      L    47_A     0.408     0    0.017   0.095     1.045  100.000   94.107
LGA    R    48_A      R    48_A     0.302     0    0.027   1.049     4.641  100.000   75.152
LGA    L    49_A      L    49_A     0.130     0    0.013   0.045     0.298  100.000  100.000
LGA    V    50_A      V    50_A     0.253     0    0.032   0.048     0.400  100.000  100.000
LGA    D    51_A      D    51_A     0.422     0    0.028   0.108     1.099   97.619   92.917
LGA    H    52_A      H    52_A     0.300     0    0.048   0.302     1.358   97.619   91.571
LGA    A    53_A      A    53_A     0.662     0    0.020   0.034     0.754   92.857   92.381
LGA    F    54_A      F    54_A     0.773     0    0.028   0.884     3.321   92.857   73.810
LGA    T    55_A      T    55_A     0.213     0    0.045   0.086     0.486  100.000  100.000
LGA    H    56_A      H    56_A     0.325     0    0.058   0.211     1.258   97.619   91.571
LGA    V    57_A      V    57_A     0.545     0    0.162   0.152     1.418   88.333   91.973
LGA    P    58_A      P    58_A     2.140     0    0.654   0.621     3.720   63.452   64.082
LGA    H    59_A      H    59_A     1.568     0    0.085   1.125     7.682   75.000   47.476
LGA    L    60_A      L    60_A     1.382     0    0.109   0.099     1.933   79.286   76.071
LGA    K    61_A      K    61_A     0.997     0    0.017   0.881     2.020   90.476   84.603
LGA    M    62_A      M    62_A     0.931     0    0.019   0.867     3.231   90.476   84.286
LGA    K    63_A      K    63_A     0.719     0    0.021   1.105     6.846   90.476   68.201
LGA    C    64_A      C    64_A     0.880     0    0.042   0.116     1.104   88.214   87.460
LGA    N    65_A      N    65_A     0.744     0    0.070   0.195     1.296   92.857   89.405
LGA    F    66_A      F    66_A     0.564     0    0.017   0.131     0.957   90.476   90.476
LGA    C    67_A      C    67_A     0.811     0    0.062   0.111     1.152   90.476   88.968
LGA    D    68_A      D    68_A     0.986     0    0.030   0.329     2.113   88.214   82.738
LGA    Y    69_A      Y    69_A     0.896     0    0.053   0.058     1.050   88.214   89.722
LGA    M    70_A      M    70_A     0.980     0    0.082   0.209     1.169   85.952   84.821
LGA    C    71_A      C    71_A     1.004     0    0.073   0.114     1.253   83.690   85.952
LGA    K    72_A      K    72_A     0.877     0    0.101   0.677     1.507   88.214   85.503
LGA    G    73_A      G    73_A     0.865     0    0.078   0.078     0.865   95.238   95.238
LGA    I    74_A      I    74_A     0.466     0    0.038   0.066     0.861  100.000   95.238
LGA    R    75_A      R    75_A     0.276     0    0.023   0.738     2.182  100.000   82.251
LGA    N    76_A      N    76_A     0.137     0    0.044   0.090     0.672  100.000   96.429
LGA    I    77_A      I    77_A     0.326     0    0.035   0.534     2.161  100.000   94.405
LGA    R    78_A      R    78_A     0.584     0    0.014   0.244     1.497   92.857   88.874
LGA    L    79_A      L    79_A     0.481     0    0.033   1.392     3.569  100.000   83.155
LGA    H    80_A      H    80_A     0.437     0    0.077   0.185     0.883   97.619   96.190
LGA    H    81_A      H    81_A     0.407     0    0.031   1.303     5.356  100.000   72.476
LGA    K    82_A      K    82_A     0.452     0    0.093   0.544     1.838   97.619   95.926
LGA    K    83_A      K    83_A     0.408     0    0.030   0.394     2.409  100.000   89.894
LGA    S    84_A      S    84_A     0.255     0    0.013   0.052     0.405  100.000  100.000
LGA    H    85_A      H    85_A     0.457     0    0.012   0.158     0.829   95.238   95.238
LGA    P    86_A      P    86_A     1.009     0    0.107   0.109     1.646   81.548   85.374
LGA    D    87_A      D    87_A     1.590     0    0.021   1.148     5.497   79.286   60.595
LGA    E    88_A      E    88_A     0.639     0    0.193   0.221     1.941   90.476   85.503
LGA    Q    89_A      Q    89_A     2.242     0    0.618   1.011     7.025   59.524   40.317
LGA    L    90_A      L    90_A     3.935     0    0.230   1.424    10.907   50.357   28.036
LGA    T    91_A      T    91_A     3.239     0    0.028   0.846     6.639   59.167   41.905
LGA    G    92_A      G    92_A     4.385     0    0.706   0.706     4.550   40.714   40.714
LGA    F    93_A      F    93_A     1.496     0    0.571   1.219     5.307   83.690   56.147
LGA    G    94_A      G    94_A     0.995     0    0.029   0.029     1.249   88.214   88.214
LGA    I    95_A      I    95_A     0.728     0    0.063   1.073     2.517   85.952   80.714
LGA    K    96_A      K    96_A     1.889     0    0.190   0.682     6.193   70.952   55.767
LGA    S    97_A      S    97_A     2.200     0    0.205   0.598     3.938   70.833   65.238
LGA    V    98_A      V    98_A     1.836     0    0.065   0.138     2.347   72.976   69.456
LGA    V    99_A      V    99_A     1.790     0    0.056   0.059     2.614   77.143   69.660
LGA    R   100_A      R   100_A     1.442     0    0.118   0.605     4.116   79.286   67.013
LGA    T   101_A      T   101_A     1.053     0    0.071   0.943     3.200   85.952   79.524
LGA    S   102_A      S   102_A     1.305     0    0.047   0.134     2.582   85.952   77.619
LGA    K   103_A      K   103_A     1.598     0    0.042   0.641     7.963   75.119   48.571
LGA    K   104_A      K   104_A     1.524     4    0.262   0.257     2.108   77.262   41.534
LGA    G   105_A      G   105_A     1.881     0    0.024   0.024     1.881   72.857   72.857
LGA    K   106_A      K   106_A     1.477     0    0.015   1.047     2.029   81.548   77.725
LGA    D   107_A      D   107_A     1.093     0    0.058   0.060     1.648   83.690   81.488
LGA    L   108_A      L   108_A     1.209     0    0.029   1.415     4.863   85.952   67.917
LGA    A   109_A      A   109_A     0.542     0    0.092   0.105     0.836   95.238   94.286
LGA    K   110_A      K   110_A     0.307     0    0.032   1.253     5.397  100.000   75.026
LGA    V   111_A      V   111_A     0.559     0    0.037   0.856     2.517   90.476   83.197
LGA    W   112_A      W   112_A     0.258     0    0.016   0.081     0.601  100.000   97.279
LGA    D   113_A      D   113_A     0.315     0    0.041   0.126     0.512   97.619   98.810
LGA    E   114_A      E   114_A     0.576     0    0.082   0.775     3.146   92.857   78.466
LGA    C   115_A      C   115_A     0.445     0    0.026   0.041     0.681   95.238   93.651
LGA    F   116_A      F   116_A     0.810     0    0.030   0.134     1.225   88.214   87.186
LGA    K   117_A      K   117_A     1.363     0    0.036   0.639     4.725   81.429   60.847
LGA    K   118_A      K   118_A     0.944     0    0.036   0.099     1.452   90.476   86.455
LGA    N   119_A      N   119_A     0.265     0    0.075   0.100     0.505   97.619   98.810
LGA    R   120_A      R   120_A     0.289     6    0.027   0.026     0.334  100.000   45.455
LGA    V   121_A      V   121_A     0.412     0    0.057   0.983     2.807   95.238   87.143
LGA    L   122_A      L   122_A     0.860     0    0.058   0.125     1.225   85.952   89.464
LGA    Q   123_A      Q   123_A     1.957     0    0.629   0.671     4.346   64.048   62.751
LGA    H   124_A      H   124_A     2.394     0    0.409   1.079    10.054   68.929   33.286
LGA    G   125_A      G   125_A     5.036     0    0.094   0.094     8.868   23.095   23.095
LGA    S   126_A      S   126_A     9.958     0    0.195   0.708    11.165    2.619    1.746

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     864    864  100.00               105
SUMMARY(RMSD_GDC):     1.609          1.619                  2.250           87.265   79.437

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0    103    1.21    90.476    94.929     7.850

LGA_LOCAL      RMSD:   1.212  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.621  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.609  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.904924 * X  +  -0.125853 * Y  +  -0.406539 * Z  +   5.033501
  Y_new =   0.424237 * X  +  -0.191115 * Y  +  -0.885154 * Z  + -24.988062
  Z_new =   0.033704 * X  +  -0.973466 * Y  +   0.226336 * Z  +  11.207813 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.703207 -0.033710 -1.342350   [DEG:  154.8823   -1.9315  -76.9110 ]
ZXZ: -0.430550  1.342482  3.106984   [DEG:  -24.6687   76.9185  178.0171 ]
 
# END of job
