
#######################################################
#                                                     #
#                        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  115 (  972),  selected  108 , name one
# Molecule2: number of CA atoms  108 (  908),  selected  108 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       2_C - 109_C       1.28     1.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       2_C - 109_C       1.28     1.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      48_C - 109_C       0.98     1.36
  LCS_AVERAGE:     44.97

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  108
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     2_C     L     2_C     33  108  108     30   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P     3_C     P     3_C     33  108  108     53   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D     4_C     D     4_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     5_C     E     5_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     6_C     E     6_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     7_C     K     7_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L     8_C     L     8_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     9_C     K     9_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    10_C     L    10_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    11_C     L    11_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    12_C     D    12_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    13_C     T    13_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    14_C     L    14_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    15_C     L    15_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    16_C     T    16_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    17_C     M    17_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    18_C     V    18_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    19_C     E    19_C     33  108  108     50   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    20_C     W    20_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    21_C     V    21_C     33  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    22_C     K    22_C     33  108  108     42   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    23_C     E    23_C     33  108  108     30   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    24_C     L    24_C     33  108  108     30   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    25_C     L    25_C     33  108  108     53   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    26_C     E    26_C     33  108  108     19   64   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    27_C     E    27_C     33  108  108     19   64   80   93  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    28_C     S    28_C     33  108  108     19   64   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    29_C     V    29_C     33  108  108     30   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    30_C     E    30_C     33  108  108      4   65   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    31_C     K    31_C     33  108  108     18   55   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     N    32_C     N    32_C     33  108  108     12   31   76  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    33_C     S    33_C     33  108  108     12   20   76  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    34_C     R    34_C     33  108  108     12   34   74  102  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    35_C     M    35_C     24  108  108     12   20   39  101  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    36_C     R    36_C     24  108  108     12   20   73  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     H    37_C     H    37_C     24  108  108     12   33   76  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    38_C     I    38_C     24  108  108     12   34   75  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    39_C     R    39_C     24  108  108     12   20   63  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    40_C     A    40_C     24  108  108     12   20   60  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    41_C     V    41_C     24  108  108     12   37   75  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    42_C     M    42_C     24  108  108     12   38   76  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    43_C     W    43_C     24  108  108     12   20   60  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    44_C     A    44_C     24  108  108     12   20   49   95  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    45_C     E    45_C     24  108  108     10   37   74  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    46_C     Y    46_C     24  108  108     12   38   78  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    47_C     M    47_C     24  108  108     10   20   54  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    48_C     L    48_C     62  108  108     10   20   65  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    49_C     E    49_C     62  108  108     10   37   76  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    50_C     I    50_C     62  108  108     10   32   78  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    51_C     A    51_C     62  108  108     10   20   76  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    52_C     R    52_C     62  108  108     10   16   67  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    53_C     S    53_C     62  108  108      3   48   81  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    54_C     L    54_C     62  108  108      5   69   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    55_C     E    55_C     62  108  108     20   69   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    56_C     D    56_C     62  108  108     18   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    57_C     E    57_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    58_C     K    58_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    59_C     I    59_C     62  108  108     18   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    60_C     L    60_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    61_C     E    61_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    62_C     I    62_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    63_C     A    63_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    64_C     E    64_C     62  108  108     28   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    65_C     K    65_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    66_C     L    66_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    67_C     E    67_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    68_C     K    68_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    69_C     A    69_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    70_C     L    70_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P    71_C     P    71_C     62  108  108     50   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    72_C     E    72_C     62  108  108      5   60   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    73_C     K    73_C     62  108  108      5   27   76  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    74_C     S    74_C     62  108  108      3    4   11   79  104  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    75_C     K    75_C     62  108  108      4   33   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    76_C     M    76_C     62  108  108      6   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     F    77_C     F    77_C     62  108  108     57   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    78_C     T    78_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    79_C     K    79_C     62  108  108     26   72   81  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    80_C     E    80_C     62  108  108     26   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    81_C     E    81_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    82_C     Y    82_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    83_C     E    83_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    84_C     K    84_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    85_C     L    85_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    86_C     M    86_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    87_C     E    87_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    88_C     V    88_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    89_C     L    89_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    90_C     E    90_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    91_C     E    91_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    92_C     L    92_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    93_C     E    93_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    94_C     E    94_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    95_C     V    95_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    96_C     L    96_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    97_C     E    97_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    98_C     E    98_C     62  108  108     40   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    99_C     K    99_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K   100_C     K   100_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   101_C     E   101_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   102_C     E   102_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V   103_C     V   103_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   104_C     E   104_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   105_C     E   105_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R   106_C     R   106_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I   107_C     I   107_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   108_C     E   108_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     G   109_C     G   109_C     62  108  108     58   72   82  103  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_AVERAGE  LCS_A:  81.66  (  44.97  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     58     72     82    103    107    108    108    108    108    108    108    108    108    108    108    108    108    108    108    108 
GDT PERCENT_AT  53.70  66.67  75.93  95.37  99.07 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.43   0.66   1.18   1.25   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28
GDT RMS_ALL_AT   1.55   1.56   1.46   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28

# Checking swapping
#   possible swapping detected:  D     4_C      D     4_C
#   possible swapping detected:  E     5_C      E     5_C
#   possible swapping detected:  D    12_C      D    12_C
#   possible swapping detected:  E    19_C      E    19_C
#   possible swapping detected:  E    23_C      E    23_C
#   possible swapping detected:  E    26_C      E    26_C
#   possible swapping detected:  E    27_C      E    27_C
#   possible swapping detected:  E    30_C      E    30_C
#   possible swapping detected:  E    45_C      E    45_C
#   possible swapping detected:  F    77_C      F    77_C
#   possible swapping detected:  E    80_C      E    80_C
#   possible swapping detected:  E    81_C      E    81_C
#   possible swapping detected:  E    83_C      E    83_C
#   possible swapping detected:  E    90_C      E    90_C
#   possible swapping detected:  E    93_C      E    93_C
#   possible swapping detected:  E    98_C      E    98_C
#   possible swapping detected:  E   104_C      E   104_C
#   possible swapping detected:  E   105_C      E   105_C
#   possible swapping detected:  E   108_C      E   108_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C     1.414     0    0.055   0.389     3.079   81.429   73.274
LGA    P     3_C      P     3_C     1.033     0    0.016   0.040     1.446   85.952   84.014
LGA    D     4_C      D     4_C     0.538     0    0.046   0.046     0.673   90.476   95.238
LGA    E     5_C      E     5_C     0.739     0    0.050   0.981     4.482   90.476   73.810
LGA    E     6_C      E     6_C     0.541     0    0.042   0.741     2.474   90.476   84.815
LGA    K     7_C      K     7_C     0.443     0    0.006   0.767     4.108  100.000   79.788
LGA    L     8_C      L     8_C     0.490     0    0.017   0.068     0.685   95.238   92.857
LGA    K     9_C      K     9_C     0.576     0    0.007   0.687     2.468   90.476   83.757
LGA    L    10_C      L    10_C     0.546     0    0.009   1.278     3.244   95.238   83.393
LGA    L    11_C      L    11_C     0.374     0    0.031   0.059     0.442  100.000  100.000
LGA    D    12_C      D    12_C     0.426     0    0.022   0.234     1.026  100.000   95.298
LGA    T    13_C      T    13_C     0.611     0    0.006   0.048     0.946   90.476   90.476
LGA    L    14_C      L    14_C     0.616     0    0.019   0.064     0.785   95.238   92.857
LGA    L    15_C      L    15_C     0.239     0    0.014   1.337     3.117  100.000   85.000
LGA    T    16_C      T    16_C     0.435     0    0.022   0.970     2.622   95.238   86.122
LGA    M    17_C      M    17_C     0.588     0    0.058   0.779     2.838   90.476   86.310
LGA    V    18_C      V    18_C     0.330     0    0.007   0.051     0.607  100.000   98.639
LGA    E    19_C      E    19_C     0.639     0    0.010   0.628     3.905   92.857   76.931
LGA    W    20_C      W    20_C     1.011     0    0.047   1.632     5.473   83.690   68.503
LGA    V    21_C      V    21_C     0.915     0    0.019   0.091     1.007   88.214   89.184
LGA    K    22_C      K    22_C     0.711     0    0.004   0.691     2.712   85.952   77.989
LGA    E    23_C      E    23_C     1.510     0    0.013   0.595     4.476   75.000   62.275
LGA    L    24_C      L    24_C     1.559     0    0.036   0.151     1.842   75.000   73.929
LGA    L    25_C      L    25_C     0.959     0    0.023   0.183     1.296   83.690   88.274
LGA    E    26_C      E    26_C     1.745     0    0.035   0.440     2.380   70.952   71.111
LGA    E    27_C      E    27_C     2.438     0    0.049   0.446     3.504   64.762   57.407
LGA    S    28_C      S    28_C     2.033     0    0.041   0.698     2.265   68.810   68.810
LGA    V    29_C      V    29_C     1.514     0    0.018   0.112     1.713   77.143   75.306
LGA    E    30_C      E    30_C     1.445     0    0.075   0.582     4.840   81.429   66.878
LGA    K    31_C      K    31_C     1.175     0    0.022   0.550     3.411   81.429   71.534
LGA    N    32_C      N    32_C     1.779     0    0.169   0.699     2.915   72.976   66.012
LGA    S    33_C      S    33_C     2.001     0    0.030   0.483     3.442   68.810   65.000
LGA    R    34_C      R    34_C     2.313     0    0.063   0.713     3.606   64.762   60.173
LGA    M    35_C      M    35_C     2.585     0    0.023   0.711     7.204   62.857   44.286
LGA    R    36_C      R    36_C     1.932     0    0.013   0.729     5.503   72.857   55.498
LGA    H    37_C      H    37_C     1.829     0    0.021   1.069     7.614   72.857   45.810
LGA    I    38_C      I    38_C     2.029     0    0.023   0.078     3.186   70.833   64.048
LGA    R    39_C      R    39_C     2.223     0    0.035   0.951     3.298   66.786   65.758
LGA    A    40_C      A    40_C     2.221     0    0.021   0.021     2.477   64.762   64.762
LGA    V    41_C      V    41_C     2.026     0    0.039   0.039     2.451   70.833   68.231
LGA    M    42_C      M    42_C     1.728     0    0.006   1.000     4.642   72.857   67.917
LGA    W    43_C      W    43_C     2.204     0    0.034   1.096    10.919   64.762   29.252
LGA    A    44_C      A    44_C     2.504     0    0.012   0.011     2.719   62.857   61.714
LGA    E    45_C      E    45_C     2.106     0    0.011   0.485     3.899   68.810   65.185
LGA    Y    46_C      Y    46_C     1.590     0    0.038   0.339     2.944   72.857   68.968
LGA    M    47_C      M    47_C     2.173     0    0.003   1.251     4.525   64.762   61.726
LGA    L    48_C      L    48_C     2.183     0    0.005   1.391     5.222   64.762   50.952
LGA    E    49_C      E    49_C     1.817     0    0.023   1.038     4.368   72.857   66.561
LGA    I    50_C      I    50_C     1.691     0    0.016   0.088     2.117   72.857   70.833
LGA    A    51_C      A    51_C     1.965     0    0.049   0.053     2.334   72.857   71.238
LGA    R    52_C      R    52_C     2.053     0    0.093   0.615     5.277   68.810   54.459
LGA    S    53_C      S    53_C     1.296     0    0.096   0.697     2.281   81.429   80.159
LGA    L    54_C      L    54_C     0.921     0    0.033   0.148     1.367   88.214   87.083
LGA    E    55_C      E    55_C     0.777     0    0.100   0.668     1.209   88.214   86.455
LGA    D    56_C      D    56_C     1.005     0    0.145   0.351     2.339   83.690   78.333
LGA    E    57_C      E    57_C     1.423     0    0.057   1.042     2.028   81.429   77.725
LGA    K    58_C      K    58_C     0.728     0    0.051   0.801     2.784   90.476   83.915
LGA    I    59_C      I    59_C     1.009     0    0.022   0.651     1.692   83.690   81.488
LGA    L    60_C      L    60_C     1.144     0    0.031   1.384     4.347   81.429   72.738
LGA    E    61_C      E    61_C     1.039     0    0.002   0.910     2.474   85.952   76.032
LGA    I    62_C      I    62_C     0.869     0    0.033   0.206     0.949   90.476   90.476
LGA    A    63_C      A    63_C     1.216     0    0.003   0.005     1.380   81.429   81.429
LGA    E    64_C      E    64_C     1.510     0    0.017   0.852     2.813   79.286   71.323
LGA    K    65_C      K    65_C     1.193     0    0.031   0.059     1.486   81.429   81.429
LGA    L    66_C      L    66_C     1.023     0    0.003   0.127     1.224   81.429   82.560
LGA    E    67_C      E    67_C     1.365     0    0.016   0.402     2.035   79.286   75.767
LGA    K    68_C      K    68_C     1.495     0    0.007   1.252     6.894   79.286   61.429
LGA    A    69_C      A    69_C     0.940     0    0.074   0.080     1.098   83.690   85.048
LGA    L    70_C      L    70_C     1.323     0    0.011   0.123     1.999   81.429   77.143
LGA    P    71_C      P    71_C     0.955     0    0.075   0.107     1.282   85.952   84.014
LGA    E    72_C      E    72_C     1.008     0    0.052   0.978     3.807   77.381   66.402
LGA    K    73_C      K    73_C     1.698     0    0.162   0.177     3.426   69.048   65.079
LGA    S    74_C      S    74_C     2.713     0    0.029   0.550     5.358   59.048   52.063
LGA    K    75_C      K    75_C     1.640     0    0.050   0.777     3.342   77.143   68.783
LGA    M    76_C      M    76_C     1.135     0    0.086   0.594     3.715   81.429   75.595
LGA    F    77_C      F    77_C     0.908     0    0.004   0.736     2.585   88.214   78.874
LGA    T    78_C      T    78_C     1.165     0    0.012   0.032     1.335   81.429   81.429
LGA    K    79_C      K    79_C     1.472     0    0.048   0.621     2.085   79.286   75.767
LGA    E    80_C      E    80_C     1.263     0    0.045   0.619     3.138   81.429   77.037
LGA    E    81_C      E    81_C     0.775     0    0.029   0.598     2.386   92.857   82.857
LGA    Y    82_C      Y    82_C     0.508     0    0.030   0.220     1.108   95.238   90.556
LGA    E    83_C      E    83_C     0.446     0    0.007   0.543     1.950   97.619   91.746
LGA    K    84_C      K    84_C     0.549     0    0.036   1.107     5.837   95.238   70.741
LGA    L    85_C      L    85_C     0.212     0    0.007   0.223     0.968  100.000   96.429
LGA    M    86_C      M    86_C     0.267     0    0.009   0.876     2.866  100.000   93.452
LGA    E    87_C      E    87_C     0.296     0    0.045   0.865     3.097  100.000   80.159
LGA    V    88_C      V    88_C     0.367     0    0.047   0.096     0.637  100.000   98.639
LGA    L    89_C      L    89_C     0.213     0    0.010   0.116     0.574  100.000   98.810
LGA    E    90_C      E    90_C     0.172     0    0.016   0.962     4.345  100.000   82.698
LGA    E    91_C      E    91_C     0.212     0    0.012   0.800     2.504  100.000   83.492
LGA    L    92_C      L    92_C     0.375     0    0.025   0.089     0.451  100.000  100.000
LGA    E    93_C      E    93_C     0.328     0    0.012   0.454     1.252  100.000   96.878
LGA    E    94_C      E    94_C     0.383     0    0.020   0.874     2.633  100.000   87.143
LGA    V    95_C      V    95_C     0.442     0    0.036   0.055     0.856  100.000   95.918
LGA    L    96_C      L    96_C     0.349     0    0.013   0.084     0.574  100.000   97.619
LGA    E    97_C      E    97_C     0.363     0    0.031   1.250     4.863  100.000   78.254
LGA    E    98_C      E    98_C     0.548     0    0.014   0.500     2.038   95.238   87.725
LGA    K    99_C      K    99_C     0.431     0    0.010   0.711     2.539  100.000   94.180
LGA    K   100_C      K   100_C     0.303     0    0.008   0.098     1.487  100.000   92.751
LGA    E   101_C      E   101_C     0.362     0    0.012   0.681     2.404  100.000   92.910
LGA    E   102_C      E   102_C     0.365     0    0.019   0.879     3.442  100.000   79.101
LGA    V   103_C      V   103_C     0.427     0    0.009   0.063     0.588   97.619   95.918
LGA    E   104_C      E   104_C     0.514     0    0.015   0.068     0.735   92.857   96.825
LGA    E   105_C      E   105_C     0.528     0    0.017   0.550     1.937   92.857   91.693
LGA    R   106_C      R   106_C     0.698     0    0.022   1.048     3.529   88.214   78.225
LGA    I   107_C      I   107_C     0.713     0    0.044   0.140     0.922   90.476   90.476
LGA    E   108_C      E   108_C     0.687     0    0.373   0.364     2.343   81.786   84.603
LGA    G   109_C      G   109_C     0.863     0    0.650   0.650     1.443   88.214   88.214

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      108     432    432  100.00     908    908  100.00               108
SUMMARY(RMSD_GDC):     1.276          1.272                  2.036           84.799   78.294

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  115  108    4.0    108    1.28    90.509    95.188     7.849

LGA_LOCAL      RMSD:   1.276  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.276  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   1.276  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.421460 * X  +   0.697779 * Y  +   0.579204 * Z  +  12.960373
  Y_new =  -0.431392 * X  +   0.716072 * Y  +  -0.548763 * Z  +   0.253374
  Z_new =  -0.797667 * X  +  -0.018582 * Y  +   0.602812 * Z  + -10.652236 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.797044  0.923417 -0.030816   [DEG:  -45.6673   52.9079   -1.7656 ]
ZXZ:  0.812379  0.923776 -1.594088   [DEG:   46.5459   52.9284  -91.3345 ]
 
# END of job
