
#######################################################
#                                                     #
#                        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  130 (  978),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , 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:   125       5_A - 129_A       1.01     1.01
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.01     1.01
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       5_A - 128_A       0.99     1.01
  LONGEST_CONTINUOUS_SEGMENT:   124       6_A - 129_A       0.99     1.01
  LCS_AVERAGE:     99.20

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     L     5_A     L     5_A    124  125  125     29   74  105  116  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A    124  125  125     39   93  112  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A    124  125  125      4   47   92  114  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A    124  125  125     20   52  105  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A    124  125  125      3   80  108  118  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A    124  125  125      5   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A    124  125  125     54   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A    124  125  125     55   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    124  125  125     54   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A    124  125  125     55   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A    124  125  125     49   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A    124  125  125     56   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    124  125  125     56   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    124  125  125     53   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    124  125  125      3   37   94  112  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    124  125  125     30   94  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    124  125  125     53   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    124  125  125     36   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    124  125  125     55   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    124  125  125     41   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    124  125  125     18   74  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    124  125  125     20   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    124  125  125     31   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    124  125  125     53   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    124  125  125     38   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    124  125  125     18   92  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    124  125  125     52   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    124  125  125      3   38   87  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    124  125  125      5   13   87  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    124  125  125      5   24  110  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    124  125  125     20   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    124  125  125     32   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    124  125  125     32   94  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    124  125  125     49   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    124  125  125     55   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    124  125  125     36   94  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    124  125  125      3   92  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    124  125  125     41   92  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    124  125  125     36   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    124  125  125     53   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    124  125  125     27   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    124  125  125     27   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    124  125  125     55   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    124  125  125     55   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    124  125  125     55   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    124  125  125     48   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    124  125  125     55   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    124  125  125     48   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    124  125  125     57   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    124  125  125     55   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    124  125  125     26   89  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    124  125  125     29   80  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    124  125  125     29   89  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    124  125  125     29   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    124  125  125     41   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    124  125  125     29   89  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    124  125  125     29   88  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    124  125  125     29   95  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    124  125  125     29   88  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    124  125  125     29   80  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    124  125  125     29   83  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A    124  125  125     29   84  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A    124  125  125     29   80  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A    124  125  125     29   80  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    124  125  125     29   80  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A    124  125  125     29   80  112  119  124  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  99.73  (  99.20  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     57     95    112    119    124    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  45.60  76.00  89.60  95.20  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.54   0.73   0.87   0.98   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01
GDT RMS_ALL_AT   1.16   1.09   1.05   1.05   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01   1.01

# Checking swapping
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  Y    91_A      Y    91_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  F   124_A      F   124_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A     2.451     0    0.157   1.389     5.893   64.881   56.607
LGA    K     6_A      K     6_A     1.114     0    0.024   0.768     2.661   71.071   73.175
LGA    C     7_A      C     7_A     2.790     0    0.011   0.116     5.020   67.024   56.270
LGA    T     8_A      T     8_A     1.891     0    0.018   0.033     2.693   64.881   65.986
LGA    F     9_A      F     9_A     1.804     0    0.059   1.265     8.818   79.405   44.978
LGA    S    10_A      S    10_A     0.633     0    0.086   0.612     1.393   92.857   90.556
LGA    A    11_A      A    11_A     0.175     0    0.048   0.053     0.256  100.000  100.000
LGA    P    12_A      P    12_A     0.170     0    0.037   0.280     0.591  100.000   98.639
LGA    S    13_A      S    13_A     0.401     0    0.021   0.091     0.490  100.000  100.000
LGA    H    14_A      H    14_A     0.450     0    0.012   0.062     0.942   97.619   93.333
LGA    S    15_A      S    15_A     0.293     0    0.066   0.163     0.605  100.000   96.825
LGA    T    16_A      T    16_A     0.607     0    0.034   0.113     0.899   92.857   91.837
LGA    S    17_A      S    17_A     0.848     0    0.022   0.026     0.985   90.476   90.476
LGA    L    18_A      L    18_A     0.659     0    0.022   0.275     1.252   90.476   89.345
LGA    L    19_A      L    19_A     0.428     0    0.017   0.051     0.529   95.238   96.429
LGA    Q    20_A      Q    20_A     0.803     0    0.017   0.714     3.038   90.476   81.058
LGA    G    21_A      G    21_A     0.926     0    0.038   0.038     0.926   90.476   90.476
LGA    L    22_A      L    22_A     0.660     0    0.012   0.081     0.770   90.476   90.476
LGA    A    23_A      A    23_A     0.626     0    0.018   0.031     0.742   90.476   90.476
LGA    T    24_A      T    24_A     1.052     0    0.087   1.108     3.346   83.690   78.231
LGA    L    25_A      L    25_A     1.059     0    0.039   0.087     1.434   85.952   83.690
LGA    R    26_A      R    26_A     0.641     0    0.027   0.420     1.900   90.476   88.182
LGA    A    27_A      A    27_A     0.823     0    0.017   0.034     0.943   90.476   90.476
LGA    Q    28_A      Q    28_A     1.112     0    0.026   0.978     3.359   83.690   79.947
LGA    G    29_A      G    29_A     1.187     0    0.016   0.016     1.318   81.429   81.429
LGA    Q    30_A      Q    30_A     1.111     0    0.014   0.798     3.322   85.952   75.397
LGA    L    31_A      L    31_A     1.061     0    0.023   0.122     1.410   85.952   83.690
LGA    L    32_A      L    32_A     0.666     0    0.056   0.147     0.842   90.476   90.476
LGA    D    33_A      D    33_A     0.796     0    0.023   0.046     0.866   90.476   90.476
LGA    V    34_A      V    34_A     0.418     0    0.038   0.076     0.584   97.619   97.279
LGA    V    35_A      V    35_A     0.233     0    0.046   0.058     0.490  100.000  100.000
LGA    L    36_A      L    36_A     0.381     0    0.050   0.095     0.515  100.000   97.619
LGA    T    37_A      T    37_A     0.349     0    0.028   0.081     0.503   97.619   98.639
LGA    I    38_A      I    38_A     0.662     0    0.017   0.040     0.805   90.476   90.476
LGA    N    39_A      N    39_A     0.927     0    0.578   0.564     2.018   84.048   81.667
LGA    R    40_A      R    40_A     2.615     0    0.017   1.305     6.978   62.857   46.277
LGA    E    41_A      E    41_A     1.181     0    0.061   0.649     1.587   85.952   82.487
LGA    A    42_A      A    42_A     0.373     0    0.027   0.042     0.774   92.857   94.286
LGA    F    43_A      F    43_A     0.690     0    0.031   0.078     1.367   90.476   88.009
LGA    P    44_A      P    44_A     0.702     0    0.058   0.314     1.827   88.214   86.667
LGA    A    45_A      A    45_A     0.289     0    0.036   0.037     0.379  100.000  100.000
LGA    H    46_A      H    46_A     0.435     0    0.031   0.244     1.047  100.000   93.381
LGA    K    47_A      K    47_A     0.510     0    0.033   0.162     0.524   92.857   96.825
LGA    V    48_A      V    48_A     0.543     0    0.046   0.075     0.727   90.476   91.837
LGA    V    49_A      V    49_A     0.551     0    0.024   0.044     0.650   92.857   91.837
LGA    L    50_A      L    50_A     0.491     0    0.037   0.090     1.020   95.238   92.917
LGA    A    51_A      A    51_A     0.658     0    0.016   0.016     0.813   90.476   90.476
LGA    A    52_A      A    52_A     0.861     0    0.138   0.157     1.358   85.952   86.857
LGA    C    53_A      C    53_A     1.277     0    0.112   0.744     1.737   85.952   83.016
LGA    S    54_A      S    54_A     0.928     0    0.034   0.060     0.975   90.476   90.476
LGA    D    55_A      D    55_A     0.993     0    0.053   0.106     2.101   90.476   82.798
LGA    Y    56_A      Y    56_A     0.677     0    0.011   0.036     0.916   92.857   91.270
LGA    F    57_A      F    57_A     0.383     0    0.021   0.041     0.901  100.000   94.805
LGA    R    58_A      R    58_A     0.683     0    0.054   1.198     5.671   92.857   73.853
LGA    A    59_A      A    59_A     0.804     0    0.042   0.053     0.852   90.476   90.476
LGA    M    60_A      M    60_A     0.649     0    0.035   0.079     0.986   90.476   91.667
LGA    F    61_A      F    61_A     0.949     0    0.045   0.058     1.331   85.952   88.831
LGA    T    62_A      T    62_A     1.388     0    0.020   0.050     1.626   79.286   80.204
LGA    G    63_A      G    63_A     1.226     0    0.676   0.676     3.282   73.571   73.571
LGA    G    64_A      G    64_A     2.218     0    0.020   0.020     2.932   64.881   64.881
LGA    M    65_A      M    65_A     2.150     0    0.077   0.860     5.736   70.833   58.750
LGA    R    66_A      R    66_A     1.912     0    0.020   1.459     7.055   75.000   54.762
LGA    E    67_A      E    67_A     0.810     0    0.068   0.158     2.545   88.214   79.048
LGA    A    68_A      A    68_A     0.842     0    0.055   0.066     0.920   90.476   90.476
LGA    S    69_A      S    69_A     0.919     0    0.025   0.029     1.133   90.476   87.460
LGA    Q    70_A      Q    70_A     0.451     0    0.008   0.080     0.589   97.619   95.767
LGA    D    71_A      D    71_A     0.265     0    0.014   0.109     0.562  100.000   98.810
LGA    V    72_A      V    72_A     0.211     0    0.020   0.038     0.454  100.000  100.000
LGA    I    73_A      I    73_A     0.377     0    0.033   0.053     0.405  100.000  100.000
LGA    E    74_A      E    74_A     0.437     0    0.069   0.140     0.722   97.619   95.767
LGA    L    75_A      L    75_A     0.545     0    0.178   0.240     1.019   90.595   95.298
LGA    K    76_A      K    76_A     1.206     0    0.037   0.598     1.908   83.690   83.545
LGA    G    77_A      G    77_A     1.390     0    0.065   0.065     1.616   79.286   79.286
LGA    V    78_A      V    78_A     1.343     0    0.029   1.064     3.913   88.333   80.000
LGA    S    79_A      S    79_A     1.131     0    0.090   0.508     1.818   85.952   86.111
LGA    A    80_A      A    80_A     0.951     0    0.054   0.053     1.089   88.214   86.857
LGA    R    81_A      R    81_A     0.750     0    0.047   0.168     0.900   90.476   90.476
LGA    G    82_A      G    82_A     0.429     0    0.036   0.036     0.605   97.619   97.619
LGA    L    83_A      L    83_A     0.258     0    0.027   0.053     0.309  100.000  100.000
LGA    R    84_A      R    84_A     0.418     0    0.024   0.875     3.930  100.000   72.597
LGA    H    85_A      H    85_A     0.351     0    0.030   0.157     0.783  100.000   95.238
LGA    I    86_A      I    86_A     0.293     0    0.016   0.158     0.751  100.000   98.810
LGA    I    87_A      I    87_A     0.205     0    0.018   0.103     0.328  100.000  100.000
LGA    D    88_A      D    88_A     0.213     0    0.093   0.180     0.375  100.000  100.000
LGA    F    89_A      F    89_A     0.281     0    0.016   0.060     0.362  100.000  100.000
LGA    A    90_A      A    90_A     0.141     0    0.093   0.091     0.711   97.619   98.095
LGA    Y    91_A      Y    91_A     0.205     0    0.057   0.096     0.285  100.000  100.000
LGA    S    92_A      S    92_A     0.370     0    0.023   0.076     0.474  100.000  100.000
LGA    A    93_A      A    93_A     0.477     0    0.034   0.049     0.639   97.619   96.190
LGA    E    94_A      E    94_A     0.436     0    0.058   0.136     1.032   97.619   93.704
LGA    V    95_A      V    95_A     0.393     0    0.050   0.060     0.803   95.238   95.918
LGA    T    96_A      T    96_A     0.865     0    0.030   0.102     1.519   90.476   85.374
LGA    L    97_A      L    97_A     0.744     0    0.039   0.107     0.910   90.476   90.476
LGA    D    98_A      D    98_A     0.414     0    0.018   0.044     0.778   97.619   94.048
LGA    L    99_A      L    99_A     0.403     0    0.017   0.085     1.131  100.000   94.107
LGA    D   100_A      D   100_A     0.699     0    0.022   0.919     3.516   90.476   75.357
LGA    C   101_A      C   101_A     0.672     0    0.065   0.088     0.902   95.238   93.651
LGA    V   102_A      V   102_A     0.330     0    0.028   0.031     0.474  100.000  100.000
LGA    Q   103_A      Q   103_A     0.347     0    0.017   0.760     3.716  100.000   81.587
LGA    D   104_A      D   104_A     0.586     0    0.008   0.280     1.150   90.476   89.345
LGA    V   105_A      V   105_A     0.448     0    0.019   0.055     0.747   97.619   94.558
LGA    L   106_A      L   106_A     0.274     0    0.017   0.075     0.759  100.000   96.429
LGA    G   107_A      G   107_A     0.705     0    0.037   0.037     0.705   92.857   92.857
LGA    A   108_A      A   108_A     0.622     0    0.056   0.062     0.792   95.238   94.286
LGA    A   109_A      A   109_A     0.191     0    0.030   0.035     0.307  100.000  100.000
LGA    V   110_A      V   110_A     0.498     0    0.021   0.039     0.849   95.238   93.197
LGA    F   111_A      F   111_A     0.668     0    0.010   0.368     1.444   95.238   88.095
LGA    L   112_A      L   112_A     0.314     0    0.014   0.035     0.989   97.619   94.048
LGA    Q   113_A      Q   113_A     0.599     0    0.032   0.542     1.254   90.595   89.577
LGA    M   114_A      M   114_A     1.153     0    0.052   1.127     2.033   85.952   78.452
LGA    L   115_A      L   115_A     1.386     0    0.052   0.162     2.213   81.429   76.131
LGA    P   116_A      P   116_A     1.206     0    0.022   0.028     1.490   83.690   82.721
LGA    V   117_A      V   117_A     0.816     0    0.024   0.090     0.966   90.476   91.837
LGA    V   118_A      V   118_A     0.780     0    0.023   0.047     0.995   90.476   90.476
LGA    E   119_A      E   119_A     1.319     0    0.069   0.455     2.213   79.286   76.720
LGA    L   120_A      L   120_A     1.357     0    0.030   1.397     4.283   81.429   68.929
LGA    C   121_A      C   121_A     0.947     0    0.006   0.048     1.187   83.690   87.540
LGA    E   122_A      E   122_A     1.438     0    0.019   0.357     2.709   77.143   75.873
LGA    E   123_A      E   123_A     1.891     0    0.036   0.827     4.070   70.833   59.630
LGA    F   124_A      F   124_A     1.425     0    0.035   0.191     1.549   79.286   87.316
LGA    L   125_A      L   125_A     1.429     0    0.024   0.046     1.725   77.143   79.286
LGA    K   126_A      K   126_A     2.062     0    0.035   1.421     7.534   66.786   48.519
LGA    A   127_A      A   127_A     2.084     0    0.042   0.039     2.084   68.810   68.000
LGA    A   128_A      A   128_A     1.689     0    0.083   0.079     2.124   70.833   72.952
LGA    M   129_A      M   129_A     2.117     0    0.111   1.279     5.595   62.976   58.631

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     1.009          1.012                  1.487           89.475   86.503

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    125    1.01    92.800    96.940    11.270

LGA_LOCAL      RMSD:   1.009  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.009  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.009  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.118494 * X  +  -0.906455 * Y  +  -0.405336 * Z  +  -1.925972
  Y_new =  -0.842347 * X  +  -0.307904 * Y  +   0.442320 * Z  +  -0.405826
  Z_new =  -0.525748 * X  +   0.289022 * Y  +  -0.800034 * Z  + -21.511343 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.431042  0.553595  2.794921   [DEG:  -81.9927   31.7186  160.1372 ]
ZXZ: -2.399797  2.498149 -1.068158   [DEG: -137.4983  143.1334  -61.2009 ]
 
# END of job
