
#######################################################
#                                                     #
#                        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  129 (  971),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  125 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.48     1.48
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.48     1.48
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       5_B - 104_B       0.85     1.51
  LCS_AVERAGE:     66.67

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     Q     5_B     Q     5_B    100  125  125     70  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    100  125  125     23  103  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    100  125  125     69  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    100  125  125     60  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    100  125  125     10   62  113  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    100  125  125      3   18   99  118  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    100  125  125      3   68  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    100  125  125     72  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    100  125  125      7  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    100  125  125     37  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    100  125  125     72  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    100  125  125     15  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    100  125  125     12  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    100  125  125     69  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    100  125  125     23  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    100  125  125     63  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    100  125  125     69  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    100  125  125     66  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    100  125  125      4   33  103  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    100  125  125      8   50  113  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    100  125  125     17   65  113  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    100  125  125     72  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    100  125  125     62  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    100  125  125     73  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    100  125  125     56  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    100  125  125     56  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    100  125  125     30  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    100  125  125      7   43  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    100  125  125      7   38  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    100  125  125      7   38   86  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    100  125  125     16  104  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    100  125  125     37  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    100  125  125     69  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    100  125  125     73  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    100  125  125     47  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    100  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    100  125  125     51  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    100  125  125     19  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    100  125  125     21   88  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      4  125  125      3    3    5    5    7   11   22   60   97  116  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      4  125  125      3    3    5    5    6   11   32   49   91  112  117  120  124  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      3  125  125      3   15   44  110  120  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      3  125  125      4    4   92  118  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      3  125  125      4    4    4   18   21   28   36   74  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B     20  125  125      9  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     20  125  125     36  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     20  125  125     66  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     20  125  125     58  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     20  125  125     73  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     20  125  125     70  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     20  125  125     75  105  114  119  121  121  122  122  122  123  123  124  124  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.89  (  66.67  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     75    105    114    119    121    121    122    122    122    123    123    124    124    125    125    125    125    125    125    125 
GDT PERCENT_AT  60.00  84.00  91.20  95.20  96.80  96.80  97.60  97.60  97.60  98.40  98.40  99.20  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.47   0.67   0.78   0.85   0.85   0.93   0.93   0.93   1.08   1.08   1.27   1.27   1.48   1.48   1.48   1.48   1.48   1.48   1.48
GDT RMS_ALL_AT   1.61   1.56   1.51   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.50   1.49   1.49   1.48   1.48   1.48   1.48   1.48   1.48   1.48

# Checking swapping
#   possible swapping detected:  F    31_B      F    31_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    48_B      E    48_B
#   possible swapping detected:  Y    82_B      Y    82_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.257     0    0.659   1.183     7.033   89.286   54.762
LGA    L     6_B      L     6_B     0.595     0    0.039   0.204     1.098   92.857   90.536
LGA    V     7_B      V     7_B     0.640     0    0.109   0.747     2.218   92.857   86.871
LGA    E     8_B      E     8_B     0.737     0    0.050   0.322     0.905   90.476   92.593
LGA    S     9_B      S     9_B     0.447     0    0.050   0.508     1.808   97.619   93.889
LGA    G    10_B      G    10_B     0.712     0    0.574   0.574     3.001   82.738   82.738
LGA    G    11_B      G    11_B     1.232     0    0.123   0.123     1.486   81.429   81.429
LGA    G    12_B      G    12_B     0.960     0    0.027   0.027     0.960   90.476   90.476
LGA    L    13_B      L    13_B     0.954     0    0.029   1.147     3.293   88.214   76.964
LGA    V    14_B      V    14_B     0.670     0    0.026   0.045     0.788   90.476   90.476
LGA    Q    15_B      Q    15_B     0.487     0    0.000   0.794     4.548   97.619   77.407
LGA    A    16_B      A    16_B     0.409     0    0.000   0.057     0.470  100.000  100.000
LGA    G    17_B      G    17_B     0.148     0    0.025   0.025     0.323  100.000  100.000
LGA    G    18_B      G    18_B     0.319     0    0.090   0.090     1.108   92.976   92.976
LGA    S    19_B      S    19_B     0.368     0    0.000   0.729     1.682   97.619   92.302
LGA    L    20_B      L    20_B     0.390     0    0.018   0.943     2.211  100.000   88.690
LGA    G    21_B      G    21_B     0.551     0    0.102   0.102     0.551   95.238   95.238
LGA    L    22_B      L    22_B     0.374     0    0.036   0.071     0.557   95.238   97.619
LGA    S    23_B      S    23_B     0.428     0    0.026   0.204     0.539   95.238   95.238
LGA    C    24_B      C    24_B     0.813     0    0.029   0.040     1.050   90.476   88.968
LGA    A    25_B      A    25_B     0.859     0    0.049   0.078     0.891   90.476   90.476
LGA    A    26_B      A    26_B     0.905     0    0.033   0.030     1.116   85.952   86.857
LGA    S    27_B      S    27_B     0.639     0    0.096   0.618     3.688   84.048   75.397
LGA    G    28_B      G    28_B     1.812     0    0.664   0.664     4.137   66.310   66.310
LGA    R    29_B      R    29_B     2.528     0    0.465   1.040    11.556   65.000   30.130
LGA    T    30_B      T    30_B     1.824     0    0.105   1.246     5.628   81.548   67.211
LGA    F    31_B      F    31_B     0.403     0    0.622   1.390     6.511   84.524   57.532
LGA    S    32_B      S    32_B     1.076     0    0.098   0.096     1.961   88.214   83.095
LGA    N    33_B      N    33_B     0.825     0    0.313   1.133     4.054   95.238   80.655
LGA    Y    34_B      Y    34_B     0.963     0    0.139   0.691     2.027   83.810   82.421
LGA    V    35_B      V    35_B     0.712     0    0.058   0.944     2.117   90.476   84.286
LGA    M    36_B      M    36_B     0.526     0    0.059   0.527     1.694   92.857   89.464
LGA    A    37_B      A    37_B     0.631     0    0.030   0.027     0.704   90.476   90.476
LGA    W    38_B      W    38_B     0.534     0    0.030   0.150     0.987   95.238   95.918
LGA    F    39_B      F    39_B     0.470     0    0.047   0.057     0.911  100.000   93.939
LGA    R    40_B      R    40_B     0.311     0    0.035   0.220     0.639  100.000   99.134
LGA    Q    41_B      Q    41_B     0.365     0    0.089   0.322     1.400  100.000   96.878
LGA    A    42_B      A    42_B     0.656     0    0.000   0.000     0.694   92.857   92.381
LGA    P    43_B      P    43_B     0.675     0    0.081   0.343     1.344   92.857   90.544
LGA    G    44_B      G    44_B     0.788     0    0.094   0.094     1.112   88.214   88.214
LGA    K    45_B      K    45_B     0.837     0    0.068   0.750     2.340   90.476   87.672
LGA    E    46_B      E    46_B     1.031     0    0.042   0.949     3.527   88.214   73.280
LGA    R    47_B      R    47_B     0.854     0    0.057   0.641     1.831   90.476   84.762
LGA    E    48_B      E    48_B     0.770     0    0.058   0.639     2.454   90.476   78.042
LGA    F    49_B      F    49_B     0.515     0    0.041   0.154     0.872   95.238   92.208
LGA    V    50_B      V    50_B     0.268     0    0.030   0.039     0.410  100.000  100.000
LGA    A    51_B      A    51_B     0.396     0    0.034   0.031     0.553  100.000   98.095
LGA    R    52_B      R    52_B     0.318     0    0.078   1.063     3.482  100.000   83.160
LGA    I    53_B      I    53_B     0.405     0    0.024   0.155     0.687  100.000   98.810
LGA    S    54_B      S    54_B     0.310     0    0.225   0.499     1.983   90.833   89.365
LGA    E    55_B      E    55_B     2.330     0    0.197   1.149     8.174   64.881   39.206
LGA    S    56_B      S    56_B     1.871     0    0.289   0.305     2.725   77.143   70.476
LGA    R    57_B      R    57_B     1.492     0    0.074   0.581     3.363   81.548   66.797
LGA    G    58_B      G    58_B     0.154     0    0.093   0.093     0.590   95.238   95.238
LGA    T    59_B      T    59_B     0.858     0    0.086   0.809     2.497   90.476   84.218
LGA    T    60_B      T    60_B     0.466     0    0.078   0.861     2.080   97.619   88.367
LGA    D    61_B      D    61_B     0.333     0    0.029   0.731     2.874  100.000   88.929
LGA    Y    62_B      Y    62_B     0.186     0    0.041   0.088     0.584   97.619   98.413
LGA    A    63_B      A    63_B     0.073     0    0.039   0.045     0.304  100.000  100.000
LGA    D    64_B      D    64_B     0.199     0    0.095   0.212     0.809  100.000   98.810
LGA    S    65_B      S    65_B     0.627     0    0.035   0.038     0.749   90.476   90.476
LGA    V    66_B      V    66_B     0.668     0    0.000   0.111     0.750   90.476   90.476
LGA    K    67_B      K    67_B     0.821     0    0.033   0.700     3.320   90.476   78.519
LGA    G    68_B      G    68_B     0.699     0    0.140   0.140     1.111   88.214   88.214
LGA    R    69_B      R    69_B     0.171     0    0.052   0.184     0.782  100.000   95.671
LGA    F    70_B      F    70_B     0.151     0    0.043   0.141     0.510  100.000   99.134
LGA    T    71_B      T    71_B     0.336     0    0.000   0.251     0.957  100.000   98.639
LGA    I    72_B      I    72_B     0.445     0    0.000   0.136     0.458  100.000  100.000
LGA    S    73_B      S    73_B     0.609     0    0.000   0.091     0.844   90.476   90.476
LGA    R    74_B      R    74_B     0.958     0    0.073   1.192     8.613   85.952   56.710
LGA    D    75_B      D    75_B     1.699     0    0.029   0.658     3.614   77.143   71.369
LGA    N    76_B      N    76_B     2.081     0    0.071   0.349     3.952   64.762   60.179
LGA    A    77_B      A    77_B     2.350     0    0.055   0.051     2.628   64.762   63.238
LGA    K    78_B      K    78_B     1.137     0    0.049   0.960     5.917   83.810   67.884
LGA    N    79_B      N    79_B     0.720     0    0.012   0.951     2.904   90.476   84.048
LGA    T    80_B      T    80_B     0.480     0    0.070   0.275     0.783   95.238   95.918
LGA    I    81_B      I    81_B     0.529     0    0.082   1.566     5.189   92.857   77.440
LGA    Y    82_B      Y    82_B     0.492     0    0.062   0.198     1.399   92.857   92.103
LGA    L    83_B      L    83_B     0.524     0    0.042   0.063     0.556   92.857   95.238
LGA    Q    84_B      Q    84_B     0.310     0    0.000   0.806     2.799  100.000   86.402
LGA    M    85_B      M    85_B     0.437     0    0.092   0.632     1.533   97.619   93.095
LGA    N    86_B      N    86_B     0.415     0    0.022   0.182     0.503  100.000   98.810
LGA    S    87_B      S    87_B     0.590     0    0.021   0.620     1.457   95.238   92.143
LGA    L    88_B      L    88_B     0.390     0    0.048   0.098     0.533  100.000   98.810
LGA    N    89_B      N    89_B     0.540     0    0.000   1.163     4.780   90.476   74.762
LGA    P    90_B      P    90_B     0.585     0    0.010   0.030     0.713   90.476   90.476
LGA    G    91_B      G    91_B     0.528     0    0.019   0.019     0.586   95.238   95.238
LGA    D    92_B      D    92_B     0.333     0    0.045   0.304     0.765  100.000   97.619
LGA    T    93_B      T    93_B     0.384     0    0.053   0.060     0.481  100.000  100.000
LGA    A    94_B      A    94_B     0.309     0    0.020   0.018     0.421  100.000  100.000
LGA    V    95_B      V    95_B     0.115     0    0.034   0.153     0.524  100.000   98.639
LGA    Y    96_B      Y    96_B     0.258     0    0.038   0.089     0.494  100.000  100.000
LGA    S    97_B      S    97_B     0.681     0    0.047   0.124     1.127   90.476   88.968
LGA    C    98_B      C    98_B     0.519     0    0.000   0.134     0.585   95.238   95.238
LGA    A    99_B      A    99_B     0.397     0    0.024   0.030     0.643   97.619   96.190
LGA    A   100_B      A   100_B     0.332     0    0.022   0.029     0.399  100.000  100.000
LGA    T   101_B      T   101_B     0.703     0    0.054   0.124     1.222   95.238   91.905
LGA    L   102_B      L   102_B     0.640     0    0.091   1.360     3.682   92.857   83.512
LGA    P   103_B      P   103_B     1.127     0    0.690   0.756     4.396   68.452   72.789
LGA    A   104_B      A   104_B     1.864     0    0.714   0.671     3.974   60.238   66.286
LGA    W   105_B      W   105_B     7.451     0    0.118   0.553    12.791    9.167    5.714
LGA    T   106_B      T   106_B     8.924     0    0.267   0.977    12.155    5.000    2.925
LGA    G   107_B      G   107_B     4.209     0    0.667   0.667     5.173   50.238   50.238
LGA    I   108_B      I   108_B     2.800     0    0.128   0.285     6.115   47.143   42.024
LGA    I   109_B      I   109_B     6.248     0    0.485   1.301    11.765   26.548   13.690
LGA    G   110_B      G   110_B     1.150     0    0.361   0.361     2.918   79.881   79.881
LGA    G   111_B      G   111_B     0.594     0    0.036   0.036     0.630   92.857   92.857
LGA    R   112_B      R   112_B     0.315     0    0.000   0.516     1.557   97.619   91.558
LGA    R   113_B      R   113_B     0.528     0    0.000   1.314     5.401   92.857   72.597
LGA    P   114_B      P   114_B     0.775     0    0.045   0.347     1.024   90.476   91.905
LGA    G   115_B      G   115_B     0.624     0    0.073   0.073     0.835   90.476   90.476
LGA    N   116_B      N   116_B     0.357     0    0.090   0.446     1.537   97.619   91.905
LGA    Y   117_B      Y   117_B     0.300     0    0.048   0.119     0.735   97.619   99.206
LGA    P   118_B      P   118_B     0.461     0    0.091   0.104     0.926   95.238   94.558
LGA    Y   119_B      Y   119_B     0.243     0    0.000   0.206     0.938  100.000   96.825
LGA    W   120_B      W   120_B     0.504     0    0.063   0.132     0.930   92.857   91.156
LGA    G   121_B      G   121_B     0.389     0    0.025   0.025     0.512   97.619   97.619
LGA    Q   122_B      Q   122_B     0.411     0    0.024   1.049     7.239  100.000   70.529
LGA    G   123_B      G   123_B     0.341     0    0.022   0.022     0.370  100.000  100.000
LGA    T   124_B      T   124_B     0.433     0    0.058   0.165     0.695  100.000   98.639
LGA    Q   125_B      Q   125_B     0.352     0    0.035   0.600     1.618  100.000   93.862
LGA    V   126_B      V   126_B     0.447     0    0.029   0.122     0.774  100.000   98.639
LGA    T   127_B      T   127_B     0.510     0    0.033   0.081     0.588   92.857   95.918
LGA    V   128_B      V   128_B     0.580     0    0.044   0.116     0.913   90.476   90.476
LGA    S   129_B      S   129_B     0.776     0    0.056   0.145     2.069   81.667   78.810

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     939    939  100.00               125
SUMMARY(RMSD_GDC):     1.483          1.499                  2.324           89.339   84.600

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  129  125    4.0    122    0.93    94.200    96.772    11.859

LGA_LOCAL      RMSD:   0.929  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.495  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.483  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.984863 * X  +   0.063649 * Y  +  -0.161224 * Z  + -25.320368
  Y_new =   0.074640 * X  +  -0.995215 * Y  +   0.063056 * Z  + 104.998436
  Z_new =  -0.156439 * X  +  -0.074135 * Y  +  -0.984901 * Z  + 149.856750 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.075643  0.157084 -3.066463   [DEG:    4.3340    9.0003 -175.6954 ]
ZXZ: -1.943615  2.967600 -2.013341   [DEG: -111.3609  170.0310 -115.3560 ]
 
# END of job
