
#######################################################
#                                                     #
#                        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  121 (  938),  selected  103 , name one
# Molecule2: number of CA atoms  103 (  817),  selected  103 , 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:   103      13_A - 115_A       0.85     0.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       0.85     0.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       0.85     0.85
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  103
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     G    13_A     G    13_A    103  103  103     50   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A    103  103  103     54   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A    103  103  103     50   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A    103  103  103     32   86   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A    103  103  103     45   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A    103  103  103     24   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A    103  103  103     50   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A    103  103  103     56   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A    103  103  103     56   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A    103  103  103     21   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A    103  103  103      5   28   55   99  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A    103  103  103     12   42   93  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A    103  103  103     30   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A    103  103  103     58   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A    103  103  103     59   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A    103  103  103     59   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A    103  103  103     29   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A    103  103  103     18   84   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A    103  103  103      5   41   95  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A    103  103  103     58   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A    103  103  103     59   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A    103  103  103     59   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A    103  103  103     58   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A    103  103  103     58   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A    103  103  103     58   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A    103  103  103     58   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A    103  103  103     58   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A    103  103  103     50   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A    103  103  103     58   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A    103  103  103     47   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A    103  103  103     37   84   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A    103  103  103     16   66   94  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A    103  103  103     17   73   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A    103  103  103     58   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A    103  103  103     58   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A    103  103  103     30   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A    103  103  103     46   85   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A    103  103  103     17   69   92  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A    103  103  103     12   69   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A    103  103  103      3    3   57   95  101  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A    103  103  103      3   85   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A    103  103  103     59   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A    103  103  103     60   87   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A    103  103  103     39   85   96  100  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
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     60     87     96    100    102    103    103    103    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  58.25  84.47  93.20  97.09  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.51   0.61   0.71   0.79   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85
GDT RMS_ALL_AT   0.95   0.86   0.86   0.86   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  Y    79_A      Y    79_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     1.053     0    0.117   0.117     1.343   85.952   85.952
LGA    W    14_A      W    14_A     0.770     0    0.018   0.093     0.986   90.476   93.878
LGA    Q    15_A      Q    15_A     0.711     0    0.021   1.072     2.603   90.476   85.873
LGA    K    16_A      K    16_A     0.772     0    0.047   0.985     4.113   90.476   73.915
LGA    K    17_A      K    17_A     0.782     0    0.030   0.583     1.940   90.476   86.561
LGA    T    18_A      T    18_A     1.277     0    0.044   0.093     2.065   77.143   75.374
LGA    P    19_A      P    19_A     1.387     0    0.042   0.081     1.969   79.286   76.531
LGA    V    20_A      V    20_A     0.748     0    0.024   0.052     0.871   90.476   93.197
LGA    D    21_A      D    21_A     1.116     0    0.041   0.483     1.631   85.952   81.548
LGA    N    22_A      N    22_A     0.904     0    0.054   0.949     3.090   88.214   83.155
LGA    E    23_A      E    23_A     0.918     0    0.051   0.886     5.129   90.476   69.312
LGA    Q    24_A      Q    24_A     0.972     0    0.024   0.403     1.908   90.476   85.503
LGA    Y    25_A      Y    25_A     0.580     0    0.052   0.087     0.922   92.857   91.270
LGA    K    26_A      K    26_A     0.268     0    0.031   0.982     3.563  100.000   82.910
LGA    E    27_A      E    27_A     0.402     0    0.036   1.310     5.559  100.000   75.661
LGA    L    28_A      L    28_A     0.346     0    0.023   1.234     2.926  100.000   90.238
LGA    A    29_A      A    29_A     0.186     0    0.021   0.028     0.315  100.000  100.000
LGA    H    30_A      H    30_A     0.397     0    0.030   0.138     0.601  100.000   98.095
LGA    F    31_A      F    31_A     0.382     0    0.035   0.121     0.612  100.000   98.268
LGA    A    32_A      A    32_A     0.354     0    0.012   0.019     0.388  100.000  100.000
LGA    V    33_A      V    33_A     0.209     0    0.073   0.981     2.409  100.000   92.313
LGA    S    34_A      S    34_A     0.463     0    0.016   0.046     0.554   97.619   96.825
LGA    K    35_A      K    35_A     0.271     0    0.041   0.162     1.250  100.000   94.762
LGA    Q    36_A      Q    36_A     0.572     0    0.028   0.142     0.819   92.857   91.534
LGA    V    37_A      V    37_A     1.142     0    0.046   0.069     1.678   79.405   81.565
LGA    E    38_A      E    38_A     2.573     0    0.029   1.101     5.825   62.857   47.090
LGA    G    39_A      G    39_A     2.115     0    0.063   0.063     2.278   70.952   70.952
LGA    R    40_A      R    40_A     1.057     0    0.037   0.191     2.704   85.952   79.351
LGA    E    41_A      E    41_A     0.394     0    0.061   0.236     0.775   97.619   94.709
LGA    F    42_A      F    42_A     0.165     0    0.045   0.063     0.365  100.000  100.000
LGA    F    43_A      F    43_A     0.356     0    0.035   0.128     0.748  100.000   93.939
LGA    D    44_A      D    44_A     0.067     0    0.045   0.081     0.564  100.000   97.619
LGA    T    45_A      T    45_A     0.297     0    0.075   0.145     0.730  100.000   95.918
LGA    V    46_A      V    46_A     0.255     0    0.011   1.346     2.612  100.000   87.755
LGA    L    47_A      L    47_A     0.060     0    0.033   1.246     2.554  100.000   90.238
LGA    E    48_A      E    48_A     0.393     0    0.058   0.562     1.445  100.000   93.704
LGA    V    49_A      V    49_A     0.165     0    0.015   1.333     2.617  100.000   88.844
LGA    T    50_A      T    50_A     0.119     0    0.035   0.066     0.274  100.000  100.000
LGA    D    51_A      D    51_A     0.304     0    0.019   0.920     4.299  100.000   81.429
LGA    V    52_A      V    52_A     0.453     0    0.021   1.343     2.595   95.238   86.122
LGA    E    53_A      E    53_A     0.407     0    0.017   0.824     3.258   97.619   86.455
LGA    T    54_A      T    54_A     0.476     0    0.087   1.063     2.299   97.619   87.211
LGA    Q    55_A      Q    55_A     0.141     0    0.051   0.501     2.584  100.000   91.058
LGA    V    56_A      V    56_A     0.765     0    0.037   1.335     3.293   92.857   83.537
LGA    V    57_A      V    57_A     1.222     0    0.338   1.204     4.346   66.190   70.544
LGA    A    58_A      A    58_A     1.771     0    0.134   0.131     2.439   77.143   74.667
LGA    G    59_A      G    59_A     0.485     0    0.056   0.056     0.903   97.619   97.619
LGA    T    60_A      T    60_A     0.706     0    0.034   0.074     0.754   90.476   90.476
LGA    N    61_A      N    61_A     0.591     0    0.047   0.362     1.916   95.238   91.845
LGA    Y    62_A      Y    62_A     0.318     0    0.014   0.072     0.546  100.000   98.413
LGA    R    63_A      R    63_A     0.242     0    0.024   1.007     2.536  100.000   92.035
LGA    I    64_A      I    64_A     0.167     0    0.032   0.112     0.537  100.000   98.810
LGA    T    65_A      T    65_A     0.259     0    0.015   0.048     0.332  100.000  100.000
LGA    F    66_A      F    66_A     0.190     0    0.049   0.112     0.576  100.000   98.268
LGA    K    67_A      K    67_A     0.109     0    0.023   0.222     0.773  100.000   98.942
LGA    I    68_A      I    68_A     0.122     0    0.042   0.078     0.237  100.000  100.000
LGA    A    69_A      A    69_A     0.342     0    0.032   0.038     0.447  100.000  100.000
LGA    E    70_A      E    70_A     0.159     0    0.040   0.545     1.329  100.000   95.873
LGA    S    71_A      S    71_A     0.320     0    0.024   0.089     0.350  100.000  100.000
LGA    T    72_A      T    72_A     0.489     0    0.049   0.053     0.921  100.000   95.918
LGA    C    73_A      C    73_A     0.417     0    0.024   0.079     1.033  100.000   95.317
LGA    R    74_A      R    74_A     0.366     0    0.014   0.121     0.460  100.000  100.000
LGA    V    75_A      V    75_A     0.528     0    0.012   0.051     0.728   92.857   94.558
LGA    T    76_A      T    76_A     0.585     0    0.062   0.150     1.149   90.476   89.184
LGA    E    77_A      E    77_A     0.564     0    0.048   0.334     1.357   90.476   92.646
LGA    T    78_A      T    78_A     0.734     0    0.033   0.065     0.856   90.476   90.476
LGA    Y    79_A      Y    79_A     0.651     0    0.046   0.173     0.863   90.476   90.476
LGA    S    80_A      S    80_A     0.857     0    0.053   0.078     1.217   90.476   87.460
LGA    K    81_A      K    81_A     1.127     0    0.054   0.668     3.146   81.548   74.339
LGA    E    82_A      E    82_A     1.873     0    0.072   1.324     4.761   70.833   60.476
LGA    T    83_A      T    83_A     1.498     0    0.029   0.099     2.085   81.429   77.823
LGA    C    84_A      C    84_A     0.604     0    0.036   0.066     0.776   95.238   93.651
LGA    L    85_A      L    85_A     0.584     0    0.038   1.243     2.909   95.238   83.393
LGA    P    86_A      P    86_A     0.525     0    0.030   0.136     0.827   90.476   90.476
LGA    K    87_A      K    87_A     0.546     0    0.042   0.144     0.767   90.476   90.476
LGA    T    88_A      T    88_A     0.512     0    0.044   0.099     0.623   92.857   95.918
LGA    R    89_A      R    89_A     0.906     6    0.015   0.016     1.300   90.476   40.303
LGA    D    90_A      D    90_A     0.221     0    0.032   0.185     0.845  100.000   96.429
LGA    V    91_A      V    91_A     0.172     0    0.024   1.344     2.766  100.000   88.844
LGA    K    92_A      K    92_A     0.223     0    0.047   0.466     1.048  100.000   94.762
LGA    S    93_A      S    93_A     0.135     0    0.055   0.624     1.946  100.000   95.476
LGA    T    94_A      T    94_A     0.265     0    0.033   0.084     0.356  100.000  100.000
LGA    C    95_A      C    95_A     0.263     0    0.035   0.044     0.263  100.000  100.000
LGA    T    96_A      T    96_A     0.304     0    0.035   0.049     0.322  100.000  100.000
LGA    A    97_A      A    97_A     0.311     0    0.016   0.022     0.394  100.000  100.000
LGA    V    98_A      V    98_A     0.616     0    0.041   1.345     2.982   92.857   83.401
LGA    I    99_A      I    99_A     0.569     0    0.041   0.456     0.920   95.238   92.857
LGA    T   100_A      T   100_A     0.392     0    0.034   0.053     0.487  100.000  100.000
LGA    E   101_A      E   101_A     0.668     0    0.025   0.105     0.785   90.476   90.476
LGA    P   102_A      P   102_A     1.213     0    0.066   0.363     1.614   83.690   85.442
LGA    L   103_A      L   103_A     2.126     0    0.089   0.606     4.281   66.786   55.238
LGA    N   104_A      N   104_A     1.940     0    0.194   1.248     7.121   72.976   46.548
LGA    N   105_A      N   105_A     3.358     0    0.652   0.541     8.766   65.119   37.083
LGA    E   106_A      E   106_A     1.219     0    0.185   0.659     6.528   81.548   53.175
LGA    R   107_A      R   107_A     0.475     0    0.083   1.141     3.966   97.619   83.290
LGA    F   108_A      F   108_A     0.423     0    0.014   0.108     0.937  100.000   94.805
LGA    V   109_A      V   109_A     0.448     0    0.061   1.341     2.818   95.238   86.122
LGA    H   110_A      H   110_A     0.577     0    0.051   1.129     2.399   92.857   82.762
LGA    S   111_A      S   111_A     0.383     0    0.013   0.020     0.471  100.000  100.000
LGA    F   112_A      F   112_A     0.307     0    0.031   0.101     0.578   97.619   99.134
LGA    T   113_A      T   113_A     0.386     0    0.094   1.150     2.738   97.619   87.279
LGA    C   114_A      C   114_A     0.294     0    0.105   0.134     1.271   92.976   93.730
LGA    G   115_A      G   115_A     1.156     0    0.249   0.249     3.094   69.762   69.762

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      103     412    412  100.00     817    817  100.00               103
SUMMARY(RMSD_GDC):     0.851          0.862                  1.472           92.876   87.448

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    103    0.85    95.388    97.999    10.833

LGA_LOCAL      RMSD:   0.851  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.851  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   0.851  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.069209 * X  +   0.603468 * Y  +   0.794378 * Z  + -30.014206
  Y_new =   0.975365 * X  +   0.208122 * Y  +  -0.073128 * Z  +  28.948729
  Z_new =  -0.209458 * X  +   0.769747 * Y  +  -0.603006 * Z  +   0.280894 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.641634  0.211021  2.235322   [DEG:   94.0587   12.0906  128.0745 ]
ZXZ:  1.478998  2.218060 -0.265680   [DEG:   84.7404  127.0855  -15.2223 ]
 
# END of job
