
#######################################################
#                                                     #
#                        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  110 (  922),  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       1.14     1.14
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       2_C - 109_C       1.14     1.14
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77      33_C - 109_C       0.92     1.16
  LCS_AVERAGE:     58.11

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     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P     3_C     P     3_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D     4_C     D     4_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     5_C     E     5_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     6_C     E     6_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     7_C     K     7_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L     8_C     L     8_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     9_C     K     9_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    10_C     L    10_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    11_C     L    11_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    12_C     D    12_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    13_C     T    13_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    14_C     L    14_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    15_C     L    15_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    16_C     T    16_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    17_C     M    17_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    18_C     V    18_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    19_C     E    19_C     29  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    20_C     W    20_C     29  108  108     31   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    21_C     V    21_C     29  108  108     31   74  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    22_C     K    22_C     29  108  108     31   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    23_C     E    23_C     29  108  108     31   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    24_C     L    24_C     29  108  108     27   62  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    25_C     L    25_C     29  108  108     27   58  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    26_C     E    26_C     29  108  108     10   57  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    27_C     E    27_C     29  108  108     10   57   99  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    28_C     S    28_C     29  108  108     10   57   82  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    29_C     V    29_C     29  108  108      3    4   65  103  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    30_C     E    30_C     29  108  108      3    4   69   96  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    31_C     K    31_C      4  108  108      3    4    5   13   95  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     N    32_C     N    32_C      4  108  108      3    4    5    5    7   28  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    33_C     S    33_C     77  108  108      4   18   81  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    34_C     R    34_C     77  108  108     16   68  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    35_C     M    35_C     77  108  108     16   33  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    36_C     R    36_C     77  108  108     17   61  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     H    37_C     H    37_C     77  108  108     17   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    38_C     I    38_C     77  108  108     17   70  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    39_C     R    39_C     77  108  108     17   39  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    40_C     A    40_C     77  108  108     17   62  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    41_C     V    41_C     77  108  108     17   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    42_C     M    42_C     77  108  108     17   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    43_C     W    43_C     77  108  108     17   70  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    44_C     A    44_C     77  108  108     17   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    45_C     E    45_C     77  108  108     17   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    46_C     Y    46_C     77  108  108     18   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    47_C     M    47_C     77  108  108     17   71  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    48_C     L    48_C     77  108  108     19   71  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    49_C     E    49_C     77  108  108     17   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    50_C     I    50_C     77  108  108     17   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    51_C     A    51_C     77  108  108     19   71  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    52_C     R    52_C     77  108  108     17   53  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    53_C     S    53_C     77  108  108     13   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    54_C     L    54_C     77  108  108      4   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    55_C     E    55_C     77  108  108      3    6  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    56_C     D    56_C     77  108  108     21   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    57_C     E    57_C     77  108  108     18   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    58_C     K    58_C     77  108  108     26   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    59_C     I    59_C     77  108  108     21   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    60_C     L    60_C     77  108  108     18   56  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    61_C     E    61_C     77  108  108     18   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    62_C     I    62_C     77  108  108     25   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    63_C     A    63_C     77  108  108     18   70  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    64_C     E    64_C     77  108  108     18   42  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    65_C     K    65_C     77  108  108     18   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    66_C     L    66_C     77  108  108     18   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    67_C     E    67_C     77  108  108     18   65  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    68_C     K    68_C     77  108  108     18   38  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    69_C     A    69_C     77  108  108     18   71  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    70_C     L    70_C     77  108  108     18   38  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P    71_C     P    71_C     77  108  108     18   74  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    72_C     E    72_C     77  108  108      4   73  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    73_C     K    73_C     77  108  108     25   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    74_C     S    74_C     77  108  108      3   19  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    75_C     K    75_C     77  108  108     26   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    76_C     M    76_C     77  108  108     13   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     F    77_C     F    77_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    78_C     T    78_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    79_C     K    79_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    80_C     E    80_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    81_C     E    81_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    82_C     Y    82_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    83_C     E    83_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    84_C     K    84_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    85_C     L    85_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    86_C     M    86_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    87_C     E    87_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    88_C     V    88_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    89_C     L    89_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    90_C     E    90_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    91_C     E    91_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    92_C     L    92_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    93_C     E    93_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    94_C     E    94_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    95_C     V    95_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    96_C     L    96_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    97_C     E    97_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    98_C     E    98_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    99_C     K    99_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K   100_C     K   100_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   101_C     E   101_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   102_C     E   102_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V   103_C     V   103_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   104_C     E   104_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   105_C     E   105_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R   106_C     R   106_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I   107_C     I   107_C     77  108  108     49   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   108_C     E   108_C     77  108  108     48   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     G   109_C     G   109_C     77  108  108      3   75  101  104  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_AVERAGE  LCS_A:  86.04  (  58.11  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     49     75    101    104    106    107    108    108    108    108    108    108    108    108    108    108    108    108    108    108 
GDT PERCENT_AT  45.37  69.44  93.52  96.30  98.15  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
GDT RMS_LOCAL    0.32   0.62   0.89   0.93   0.99   1.04   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14
GDT RMS_ALL_AT   1.36   1.18   1.15   1.16   1.15   1.15   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14

# Checking swapping
#   possible swapping detected:  E    19_C      E    19_C
#   possible swapping detected:  E    23_C      E    23_C
#   possible swapping detected:  E    49_C      E    49_C
#   possible swapping detected:  E    55_C      E    55_C
#   possible swapping detected:  E    64_C      E    64_C
#   possible swapping detected:  E    67_C      E    67_C
#   possible swapping detected:  F    77_C      F    77_C
#   possible swapping detected:  E    80_C      E    80_C
#   possible swapping detected:  E    87_C      E    87_C
#   possible swapping detected:  E   102_C      E   102_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C     0.293     0    0.073   0.460     1.549  100.000   94.286
LGA    P     3_C      P     3_C     0.069     0    0.031   0.041     0.274  100.000  100.000
LGA    D     4_C      D     4_C     0.256     0    0.060   0.078     0.554   97.619   98.810
LGA    E     5_C      E     5_C     0.411     0    0.091   0.887     3.357  100.000   84.709
LGA    E     6_C      E     6_C     0.651     0    0.052   0.487     1.430   92.857   89.524
LGA    K     7_C      K     7_C     0.554     0    0.021   0.877     3.121   92.857   79.418
LGA    L     8_C      L     8_C     0.498     0    0.041   0.100     0.787   95.238   95.238
LGA    K     9_C      K     9_C     0.633     0    0.016   0.637     2.036   90.476   85.661
LGA    L    10_C      L    10_C     0.676     0    0.059   0.861     3.281   90.476   80.119
LGA    L    11_C      L    11_C     0.829     0    0.009   0.103     0.879   90.476   90.476
LGA    D    12_C      D    12_C     0.805     0    0.037   0.870     3.530   90.476   78.155
LGA    T    13_C      T    13_C     0.851     0    0.049   0.047     0.990   90.476   90.476
LGA    L    14_C      L    14_C     0.817     0    0.018   0.124     1.063   90.476   89.345
LGA    L    15_C      L    15_C     0.655     0    0.029   1.339     3.166   90.476   80.000
LGA    T    16_C      T    16_C     0.844     0    0.032   0.948     2.101   90.476   82.993
LGA    M    17_C      M    17_C     0.909     0    0.028   1.148     3.740   90.476   82.381
LGA    V    18_C      V    18_C     0.741     0    0.019   0.077     0.813   90.476   90.476
LGA    E    19_C      E    19_C     0.682     0    0.020   0.941     2.900   90.476   78.201
LGA    W    20_C      W    20_C     1.079     0    0.025   1.595     5.971   83.690   54.490
LGA    V    21_C      V    21_C     1.147     0    0.038   0.093     1.572   85.952   82.789
LGA    K    22_C      K    22_C     0.781     0    0.018   0.402     1.338   90.476   88.466
LGA    E    23_C      E    23_C     0.727     0    0.026   0.933     2.955   88.214   77.196
LGA    L    24_C      L    24_C     1.263     0    0.047   0.212     1.653   79.286   79.286
LGA    L    25_C      L    25_C     1.430     0    0.010   0.173     1.740   77.143   79.345
LGA    E    26_C      E    26_C     1.539     0    0.038   0.305     2.014   72.976   76.720
LGA    E    27_C      E    27_C     1.770     0    0.131   0.404     2.859   75.000   69.365
LGA    S    28_C      S    28_C     1.978     0    0.451   0.691     2.911   66.905   70.476
LGA    V    29_C      V    29_C     2.197     0    0.146   1.303     5.433   68.810   61.837
LGA    E    30_C      E    30_C     2.810     0    0.564   0.898     5.462   55.595   43.651
LGA    K    31_C      K    31_C     3.310     0    0.183   0.891    10.483   53.571   29.577
LGA    N    32_C      N    32_C     4.853     0    0.034   1.203    10.816   36.071   20.000
LGA    S    33_C      S    33_C     2.226     0    0.655   0.808     4.912   72.976   61.111
LGA    R    34_C      R    34_C     1.327     0    0.061   1.498     6.894   81.429   59.437
LGA    M    35_C      M    35_C     1.978     0    0.063   1.532     9.642   72.857   48.810
LGA    R    36_C      R    36_C     1.516     0    0.029   0.208     3.770   77.143   64.069
LGA    H    37_C      H    37_C     0.909     0    0.013   1.504     6.864   88.214   61.143
LGA    I    38_C      I    38_C     1.203     0    0.022   0.098     2.195   81.429   75.119
LGA    R    39_C      R    39_C     1.542     0    0.020   1.015     3.326   79.286   70.563
LGA    A    40_C      A    40_C     1.211     0    0.019   0.020     1.319   81.429   81.429
LGA    V    41_C      V    41_C     0.762     0    0.066   0.061     1.181   90.476   87.891
LGA    M    42_C      M    42_C     0.889     0    0.015   1.151     6.091   90.476   67.381
LGA    W    43_C      W    43_C     1.145     0    0.015   0.534     2.537   81.429   76.088
LGA    A    44_C      A    44_C     0.979     0    0.010   0.017     0.992   90.476   90.476
LGA    E    45_C      E    45_C     0.685     0    0.017   0.113     1.021   90.476   89.471
LGA    Y    46_C      Y    46_C     0.664     0    0.071   0.449     2.882   90.476   75.635
LGA    M    47_C      M    47_C     1.221     0    0.029   0.593     1.515   81.429   84.940
LGA    L    48_C      L    48_C     1.178     0    0.010   1.404     4.581   81.429   64.881
LGA    E    49_C      E    49_C     0.850     0    0.018   0.912     2.071   90.476   83.651
LGA    I    50_C      I    50_C     0.732     0    0.045   0.651     2.629   90.476   86.310
LGA    A    51_C      A    51_C     1.199     0    0.053   0.053     1.465   83.690   83.238
LGA    R    52_C      R    52_C     1.304     0    0.031   0.609     3.849   79.286   69.134
LGA    S    53_C      S    53_C     0.802     0    0.051   0.669     2.866   90.476   84.921
LGA    L    54_C      L    54_C     0.703     0    0.678   1.321     3.239   82.143   75.833
LGA    E    55_C      E    55_C     1.482     0    0.112   0.709     2.005   83.810   80.688
LGA    D    56_C      D    56_C     0.737     0    0.118   0.204     1.107   85.952   87.083
LGA    E    57_C      E    57_C     0.949     0    0.101   0.867     2.256   90.476   83.598
LGA    K    58_C      K    58_C     0.506     0    0.067   1.192     5.831   95.238   77.884
LGA    I    59_C      I    59_C     0.795     0    0.016   0.607     1.710   90.476   84.881
LGA    L    60_C      L    60_C     1.218     0    0.035   1.414     4.583   81.429   73.095
LGA    E    61_C      E    61_C     0.860     0    0.006   0.168     1.172   90.476   89.471
LGA    I    62_C      I    62_C     0.506     0    0.032   0.562     2.202   90.476   90.833
LGA    A    63_C      A    63_C     1.149     0    0.011   0.013     1.420   83.690   83.238
LGA    E    64_C      E    64_C     1.407     0    0.009   0.787     4.380   81.429   63.704
LGA    K    65_C      K    65_C     0.906     0    0.031   0.662     2.427   88.214   83.757
LGA    L    66_C      L    66_C     0.816     0    0.038   0.151     0.962   90.476   90.476
LGA    E    67_C      E    67_C     1.364     0    0.026   0.223     2.549   79.286   72.222
LGA    K    68_C      K    68_C     1.435     0    0.026   1.302     7.138   79.286   58.942
LGA    A    69_C      A    69_C     1.065     0    0.135   0.142     1.130   83.690   83.238
LGA    L    70_C      L    70_C     1.587     0    0.036   0.980     4.652   75.000   68.810
LGA    P    71_C      P    71_C     1.009     0    0.128   0.309     1.766   79.286   81.497
LGA    E    72_C      E    72_C     1.109     0    0.054   0.894     2.883   88.214   77.989
LGA    K    73_C      K    73_C     0.940     0    0.277   0.395     8.380   86.071   57.249
LGA    S    74_C      S    74_C     1.739     0    0.173   0.676     2.851   81.548   76.032
LGA    K    75_C      K    75_C     0.417     0    0.646   0.761     6.637   82.738   60.582
LGA    M    76_C      M    76_C     0.926     0    0.080   1.177     3.910   88.214   76.071
LGA    F    77_C      F    77_C     0.779     0    0.077   0.721     4.203   90.476   69.524
LGA    T    78_C      T    78_C     0.487     0    0.027   0.058     0.748   95.238   93.197
LGA    K    79_C      K    79_C     0.364     0    0.036   0.707     2.815   95.238   91.005
LGA    E    80_C      E    80_C     0.666     0    0.062   0.812     2.117   90.476   81.746
LGA    E    81_C      E    81_C     0.754     0    0.033   0.609     3.169   90.476   77.460
LGA    Y    82_C      Y    82_C     0.801     0    0.059   0.203     1.210   90.476   87.460
LGA    E    83_C      E    83_C     0.589     0    0.020   0.072     0.990   92.857   91.534
LGA    K    84_C      K    84_C     0.672     0    0.025   1.115     4.708   90.476   71.217
LGA    L    85_C      L    85_C     0.675     0    0.018   1.306     2.636   90.476   81.012
LGA    M    86_C      M    86_C     0.329     0    0.033   0.810     2.068  100.000   89.881
LGA    E    87_C      E    87_C     0.226     0    0.057   0.807     2.975  100.000   80.741
LGA    V    88_C      V    88_C     0.199     0    0.040   0.133     0.414  100.000  100.000
LGA    L    89_C      L    89_C     0.166     0    0.017   0.168     0.814  100.000   98.810
LGA    E    90_C      E    90_C     0.219     0    0.017   0.859     3.911  100.000   83.386
LGA    E    91_C      E    91_C     0.094     0    0.021   0.156     0.570  100.000   98.942
LGA    L    92_C      L    92_C     0.262     0    0.037   0.116     0.425  100.000  100.000
LGA    E    93_C      E    93_C     0.373     0    0.052   0.236     1.020  100.000   97.937
LGA    E    94_C      E    94_C     0.418     0    0.041   0.100     1.332  100.000   91.693
LGA    V    95_C      V    95_C     0.404     0    0.062   0.060     0.731   97.619   94.558
LGA    L    96_C      L    96_C     0.358     0    0.025   0.094     0.398  100.000  100.000
LGA    E    97_C      E    97_C     0.476     0    0.028   0.162     1.110   97.619   92.646
LGA    E    98_C      E    98_C     0.712     0    0.030   0.109     1.459   90.476   86.455
LGA    K    99_C      K    99_C     0.542     0    0.020   1.042     3.771   95.238   84.497
LGA    K   100_C      K   100_C     0.370     0    0.048   0.182     2.443   97.619   87.989
LGA    E   101_C      E   101_C     0.655     0    0.009   0.129     2.011   92.857   83.757
LGA    E   102_C      E   102_C     0.419     0    0.048   0.818     1.647  100.000   89.788
LGA    V   103_C      V   103_C     0.349     0    0.015   0.058     0.482  100.000  100.000
LGA    E   104_C      E   104_C     0.610     0    0.026   0.351     1.535   92.857   89.577
LGA    E   105_C      E   105_C     0.666     0    0.006   0.125     1.318   90.476   87.460
LGA    R   106_C      R   106_C     0.438     0    0.006   1.286     4.707   95.238   76.883
LGA    I   107_C      I   107_C     0.711     0    0.065   0.160     1.019   90.476   89.345
LGA    E   108_C      E   108_C     1.050     0    0.410   0.431     2.802   77.619   84.815
LGA    G   109_C      G   109_C     0.965     0    0.515   0.515     1.276   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):     1.141          1.126                  2.053           87.625   80.258

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  110  108    4.0    108    1.14    91.435    96.666     8.702

LGA_LOCAL      RMSD:   1.141  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.141  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   1.141  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.358579 * X  +   0.296732 * Y  +  -0.885083 * Z  +  17.720583
  Y_new =   0.020490 * X  +  -0.945404 * Y  +  -0.325257 * Z  +  -5.529156
  Z_new =  -0.933274 * X  +  -0.134766 * Y  +   0.332922 * Z  +  12.228578 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.084512  1.203424 -0.384635   [DEG:  176.7295   68.9511  -22.0380 ]
ZXZ: -1.218628  1.231396 -1.714206   [DEG:  -69.8223   70.5538  -98.2168 ]
 
# END of job
