
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.82     0.82
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B    116  116  116      4   61  103  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     3_C     K     3_B    116  116  116     43   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     4_C     S     4_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     5_C     K     5_B    116  116  116     38   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     M     6_C     M     6_B    116  116  116     56   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L     7_C     L     7_B    116  116  116     38   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     8_C     S     8_B    116  116  116     38   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N     9_C     N     9_B    116  116  116     48   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    10_C     I    10_B    116  116  116     54   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    11_C     V    11_B    116  116  116     58   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    12_C     I    12_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    13_C     Q    13_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    14_C     E    14_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    15_C     V    15_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K    16_C     K    16_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    17_C     F    17_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    18_C     A    18_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    19_C     I    19_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    20_C     E    20_B    116  116  116     52   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    21_C     D    21_B    116  116  116     39   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    22_C     Y    22_B    116  116  116     45   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    23_C     C    23_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    24_C     A    24_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    25_C     I    25_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    26_C     L    26_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    27_C     S    27_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    28_C     F    28_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    29_C     A    29_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    30_C     S    30_B    116  116  116     54   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    31_C     D    31_B    116  116  116     48   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    32_C     S    32_B    116  116  116     40   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    33_C     Y    33_B    116  116  116     30   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    34_C     E    34_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    35_C     V    35_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    36_C     P    36_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    37_C     E    37_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    38_C     Q    38_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    39_C     Y    39_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    40_C     F    40_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    41_C     I    41_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    42_C     I    42_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    43_C     T    43_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    44_C     R    44_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    45_C     S    45_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    46_C     T    46_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    47_C     T    47_B    116  116  116     39   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    48_C     E    48_B    116  116  116     45   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    49_C     R    49_B    116  116  116     45   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    50_C     S    50_B    116  116  116     12   90  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    51_C     G    51_B    116  116  116     11   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    52_C     G    52_B    116  116  116     43   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    53_C     I    53_B    116  116  116     31   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    54_C     P    54_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    55_C     E    55_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    56_C     G    56_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    57_C     D    57_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    58_C     I    58_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    59_C     Y    59_B    116  116  116     58   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    60_C     L    60_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    61_C     E    61_B    116  116  116     49   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    62_C     S    62_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    63_C     N    63_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    64_C     L    64_B    116  116  116     47   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    65_C     F    65_B    116  116  116     48   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    66_C     L    66_B    116  116  116     12   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    67_C     D    67_B    116  116  116     36   87  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    68_C     F    68_B    116  116  116     38   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    69_C     N    69_B    116  116  116      3   73  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    70_C     P    70_B    116  116  116     38   94  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    71_C     Y    71_B    116  116  116     38   87  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    72_C     G    72_B    116  116  116     38   87  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    73_C     L    73_B    116  116  116     34   87  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    74_C     S    74_B    116  116  116     38   87  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    75_C     G    75_B    116  116  116     38   96  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    76_C     Y    76_B    116  116  116     38   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    77_C     L    77_B    116  116  116     52   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    78_C     L    78_B    116  116  116     49   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    79_C     S    79_B    116  116  116      6    9   86  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    80_C     E    80_B    116  116  116      2   58  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    81_C     P    81_B    116  116  116      4    4   65   94  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    82_C     N    82_B    116  116  116     48   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    83_C     C    83_B    116  116  116     58   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    84_C     V    84_B    116  116  116     58   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    85_C     D    85_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    86_C     L    86_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    87_C     L    87_B    116  116  116     58   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    88_C     I    88_B    116  116  116     38   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    89_C     E    89_B    116  116  116     45   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    90_C     P    90_B    116  116  116     57   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    91_C     N    91_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    92_C     N    92_B    116  116  116     58   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    93_C     Y    93_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    94_C     V    94_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    95_C     R    95_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    96_C     L    96_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    97_C     R    97_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    98_C     L    98_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    99_C     I    99_B    116  116  116     58   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   100_C     E   100_B    116  116  116     32   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   101_C     K   101_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   102_C     I   102_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   103_C     D   103_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   104_C     I   104_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   105_C     L   105_B    116  116  116     53   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   106_C     E   106_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V   107_C     V   107_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   108_C     E   108_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   109_C     N   109_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     H   110_C     H   110_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   111_C     L   111_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   112_C     K   112_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   113_C     F   113_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   114_C     L   114_B    116  116  116     59   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   115_C     F   115_B    116  116  116     45   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   116_C     D   116_B    116  116  116      5   53  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   117_C     N   117_B    116  116  116      3   97  111  115  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     59     97    111    115    115    116    116    116    116    116    116    116    116    116    116    116    116    116    116    116 
GDT PERCENT_AT  50.86  83.62  95.69  99.14  99.14 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.54   0.69   0.76   0.76   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82
GDT RMS_ALL_AT   0.84   0.84   0.83   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82

# Checking swapping
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  E    61_C      E    61_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  E   106_C      E   106_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B     2.045     0    0.084   0.114     3.102   73.095   65.238
LGA    K     3_C      K     3_B     0.820     0    0.105   0.947     3.330   90.595   80.317
LGA    S     4_C      S     4_B     0.255     0    0.009   0.100     0.703   95.238   95.238
LGA    K     5_C      K     5_B     0.683     0    0.007   1.062     3.635   92.857   79.788
LGA    M     6_C      M     6_B     0.665     0    0.020   0.869     2.471   90.476   86.131
LGA    L     7_C      L     7_B     0.786     0    0.066   0.091     1.179   88.214   89.345
LGA    S     8_C      S     8_B     0.882     0    0.051   0.179     1.417   90.476   88.968
LGA    N     9_C      N     9_B     0.726     0    0.031   0.485     1.894   90.476   88.274
LGA    I    10_C      I    10_B     0.569     0    0.033   0.692     2.178   92.857   87.321
LGA    V    11_C      V    11_B     0.431     0    0.051   0.055     0.572   97.619   97.279
LGA    I    12_C      I    12_B     0.129     0    0.006   0.112     0.634  100.000   98.810
LGA    Q    13_C      Q    13_B     0.331     0    0.043   0.950     2.779   97.619   91.058
LGA    E    14_C      E    14_B     0.393     0    0.028   0.622     2.267  100.000   88.836
LGA    V    15_C      V    15_B     0.467     0    0.038   0.076     0.797   92.857   95.918
LGA    K    16_C      K    16_B     0.356     0    0.059   0.537     2.292   97.619   92.910
LGA    F    17_C      F    17_B     0.188     0    0.036   0.105     0.391  100.000  100.000
LGA    A    18_C      A    18_B     0.159     0    0.019   0.033     0.207  100.000  100.000
LGA    I    19_C      I    19_B     0.253     0    0.014   0.049     0.377  100.000  100.000
LGA    E    20_C      E    20_B     0.623     0    0.047   0.144     0.886   90.476   90.476
LGA    D    21_C      D    21_B     1.261     0    0.046   0.298     2.359   81.429   75.119
LGA    Y    22_C      Y    22_B     0.871     0    0.022   0.101     1.431   90.476   84.444
LGA    C    23_C      C    23_B     0.467     0    0.020   0.049     0.611   97.619   95.238
LGA    A    24_C      A    24_B     0.320     0    0.029   0.032     0.536  100.000   98.095
LGA    I    25_C      I    25_B     0.221     0    0.009   0.055     0.560  100.000   98.810
LGA    L    26_C      L    26_B     0.198     0    0.024   0.140     0.536  100.000   98.810
LGA    S    27_C      S    27_B     0.298     0    0.031   0.095     0.427  100.000  100.000
LGA    F    28_C      F    28_B     0.288     0    0.099   0.116     0.690   97.619   99.134
LGA    A    29_C      A    29_B     0.320     0    0.019   0.035     0.413  100.000  100.000
LGA    S    30_C      S    30_B     0.519     0    0.016   0.031     0.643   92.857   95.238
LGA    D    31_C      D    31_B     0.688     0    0.013   0.140     0.934   90.476   90.476
LGA    S    32_C      S    32_B     0.948     0    0.051   0.631     3.449   85.952   79.206
LGA    Y    33_C      Y    33_B     1.196     0    0.046   0.358     3.286   85.952   70.119
LGA    E    34_C      E    34_B     0.338     0    0.046   0.723     2.648   97.619   87.249
LGA    V    35_C      V    35_B     0.640     0    0.138   0.138     1.400   92.857   89.252
LGA    P    36_C      P    36_B     0.618     0    0.033   0.304     0.681   90.476   91.837
LGA    E    37_C      E    37_B     0.346     0    0.036   0.728     2.876  100.000   80.952
LGA    Q    38_C      Q    38_B     0.305     0    0.022   0.216     1.237  100.000   95.820
LGA    Y    39_C      Y    39_B     0.520     0    0.004   0.060     0.638   97.619   93.651
LGA    F    40_C      F    40_B     0.505     0    0.032   0.090     0.948   90.476   90.476
LGA    I    41_C      I    41_B     0.533     0    0.046   0.092     0.641   95.238   92.857
LGA    I    42_C      I    42_B     0.258     0    0.042   0.082     0.341  100.000  100.000
LGA    T    43_C      T    43_B     0.284     0    0.013   0.174     0.726  100.000   97.279
LGA    R    44_C      R    44_B     0.262     0    0.018   0.273     1.213  100.000   94.026
LGA    S    45_C      S    45_B     0.384     0    0.043   0.097     0.449  100.000  100.000
LGA    T    46_C      T    46_B     0.466     0    0.040   0.059     0.776   95.238   97.279
LGA    T    47_C      T    47_B     1.032     0    0.019   0.042     1.367   83.690   82.721
LGA    E    48_C      E    48_B     0.946     0    0.048   0.182     1.669   90.476   86.508
LGA    R    49_C      R    49_B     0.933     0    0.031   0.336     2.382   85.952   78.442
LGA    S    50_C      S    50_B     1.331     0    0.450   0.713     2.961   75.357   73.333
LGA    G    51_C      G    51_B     1.148     0    0.044   0.044     1.276   83.690   83.690
LGA    G    52_C      G    52_B     0.904     0    0.017   0.017     1.259   85.952   85.952
LGA    I    53_C      I    53_B     1.299     0    0.090   0.216     2.902   81.429   75.179
LGA    P    54_C      P    54_B     0.479     0    0.064   0.370     1.645   95.238   92.041
LGA    E    55_C      E    55_B     0.577     0    0.082   0.550     1.378   97.619   89.630
LGA    G    56_C      G    56_B     0.386     0    0.046   0.046     0.387  100.000  100.000
LGA    D    57_C      D    57_B     0.472     0    0.050   0.199     1.128   97.619   92.917
LGA    I    58_C      I    58_B     0.320     0    0.071   1.012     2.157  100.000   86.607
LGA    Y    59_C      Y    59_B     0.478     0    0.024   1.295     8.017   97.619   62.183
LGA    L    60_C      L    60_B     0.329     0    0.089   0.091     0.579  100.000   98.810
LGA    E    61_C      E    61_B     0.666     0    0.033   0.315     2.114   95.238   85.820
LGA    S    62_C      S    62_B     0.261     0    0.028   0.041     0.540  100.000   98.413
LGA    N    63_C      N    63_B     0.354     0    0.131   0.189     0.898   95.238   97.619
LGA    L    64_C      L    64_B     0.733     0    0.031   0.321     1.628   90.476   87.143
LGA    F    65_C      F    65_B     0.789     0    0.070   0.528     2.140   90.476   84.069
LGA    L    66_C      L    66_B     0.955     0    0.074   1.244     3.242   90.476   83.155
LGA    D    67_C      D    67_B     1.358     0    0.387   1.275     4.340   79.524   66.905
LGA    F    68_C      F    68_B     1.007     0    0.079   0.105     1.506   81.429   83.939
LGA    N    69_C      N    69_B     1.653     0    0.021   0.048     2.599   79.286   71.071
LGA    P    70_C      P    70_B     1.128     0    0.024   0.227     1.674   83.690   82.789
LGA    Y    71_C      Y    71_B     1.399     0    0.046   0.113     2.780   81.429   69.087
LGA    G    72_C      G    72_B     1.381     0    0.021   0.021     1.381   81.429   81.429
LGA    L    73_C      L    73_B     1.395     0    0.097   1.343     2.666   81.429   77.560
LGA    S    74_C      S    74_B     1.364     0    0.042   0.053     1.425   81.429   81.429
LGA    G    75_C      G    75_B     1.069     0    0.047   0.047     1.161   85.952   85.952
LGA    Y    76_C      Y    76_B     0.736     0    0.022   0.159     1.027   90.476   89.722
LGA    L    77_C      L    77_B     0.626     0    0.021   0.116     1.437   92.857   88.274
LGA    L    78_C      L    78_B     0.629     0    0.133   0.930     2.678   90.476   84.107
LGA    S    79_C      S    79_B     1.961     0    0.699   0.799     4.460   64.048   68.571
LGA    E    80_C      E    80_B     1.631     0    0.066   1.038     8.141   56.786   39.418
LGA    P    81_C      P    81_B     3.228     0    0.091   0.453     5.878   55.714   44.694
LGA    N    82_C      N    82_B     0.741     0    0.117   0.662     2.600   90.833   86.548
LGA    C    83_C      C    83_B     0.395     0    0.037   0.092     0.975  100.000   96.825
LGA    V    84_C      V    84_B     0.387     0    0.019   0.068     0.398  100.000  100.000
LGA    D    85_C      D    85_B     0.366     0    0.019   0.116     1.044  100.000   96.488
LGA    L    86_C      L    86_B     0.451     0    0.016   0.048     0.541  100.000   97.619
LGA    L    87_C      L    87_B     0.494     0    0.012   0.082     0.933   92.857   91.667
LGA    I    88_C      I    88_B     0.900     0    0.044   0.222     1.462   90.476   87.083
LGA    E    89_C      E    89_B     0.927     0    0.042   0.199     1.566   85.952   81.534
LGA    P    90_C      P    90_B     0.614     0    0.034   0.049     0.942   92.857   93.197
LGA    N    91_C      N    91_B     0.157     0    0.055   0.796     3.254  100.000   85.952
LGA    N    92_C      N    92_B     0.494     0    0.008   0.192     1.156  100.000   92.976
LGA    Y    93_C      Y    93_B     0.329     0    0.051   0.085     0.568   97.619   98.413
LGA    V    94_C      V    94_B     0.392     0    0.017   0.079     0.922  100.000   95.918
LGA    R    95_C      R    95_B     0.241     0    0.044   0.175     1.093  100.000   97.446
LGA    L    96_C      L    96_B     0.286     0    0.048   0.185     0.603   97.619   98.810
LGA    R    97_C      R    97_B     0.287     0    0.023   1.123     6.584  100.000   71.082
LGA    L    98_C      L    98_B     0.255     0    0.034   0.066     0.415  100.000  100.000
LGA    I    99_C      I    99_B     0.379     0    0.028   0.388     1.479   97.619   95.298
LGA    E   100_C      E   100_B     0.702     0    0.040   0.605     1.807   90.595   85.556
LGA    K   101_C      K   101_B     0.748     0    0.102   0.834     3.945   86.071   73.968
LGA    I   102_C      I   102_B     0.565     0    0.023   0.059     0.590   90.476   94.048
LGA    D   103_C      D   103_B     0.582     0    0.026   0.113     0.641   95.238   92.857
LGA    I   104_C      I   104_B     0.310     0    0.027   0.659     1.457  100.000   91.845
LGA    L   105_C      L   105_B     0.797     0    0.038   0.116     1.804   90.476   83.810
LGA    E   106_C      E   106_B     0.670     0    0.060   0.524     2.867   95.238   87.884
LGA    V   107_C      V   107_B     0.183     0    0.017   0.035     0.328  100.000  100.000
LGA    E   108_C      E   108_B     0.258     0    0.043   0.171     1.121  100.000   95.820
LGA    N   109_C      N   109_B     0.488     0    0.028   0.104     0.820  100.000   95.238
LGA    H   110_C      H   110_B     0.498     0    0.035   1.149     2.493   95.238   86.333
LGA    L   111_C      L   111_B     0.477     0    0.055   0.052     0.547   95.238   97.619
LGA    K   112_C      K   112_B     0.456     0    0.101   0.600     1.979   95.238   90.794
LGA    F   113_C      F   113_B     0.482     0    0.089   0.176     0.843   95.238   94.805
LGA    L   114_C      L   114_B     0.332     0    0.038   0.058     0.702   97.619   97.619
LGA    F   115_C      F   115_B     0.703     0    0.202   0.184     1.347   90.476   86.364
LGA    D   116_C      D   116_B     1.555     0    0.005   0.780     6.039   75.119   54.048
LGA    N   117_C      N   117_B     1.222     0    0.369   1.124     6.135   69.762   56.964

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):     0.818          0.885                  1.387           92.179   87.783

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0    116    0.82    95.690    98.268    12.641

LGA_LOCAL      RMSD:   0.818  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.818  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   0.818  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.706857 * X  +   0.265732 * Y  +   0.655545 * Z  + -16.776648
  Y_new =  -0.694975 * X  +   0.433536 * Y  +   0.573635 * Z  + -18.286657
  Z_new =  -0.131769 * X  +  -0.861065 * Y  +   0.491125 * Z  +  -1.401620 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.776922  0.132153 -1.052449   [DEG:  -44.5144    7.5718  -60.3009 ]
ZXZ:  2.289655  1.057416 -2.989741   [DEG:  131.1875   60.5855 -171.2995 ]
 
# END of job
