
#######################################################
#                                                     #
#                        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  109 (  875),  selected  109 , name one
# Molecule2: number of CA atoms  109 (  875),  selected  109 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.32     1.32
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.32     1.32
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      47_A - 106_A       1.00     1.35
  LCS_AVERAGE:     49.03

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  109
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     G     1_A     G     1_A     41  109  109     29   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     45  109  109     38   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A     45  109  109      6   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A     45  109  109     31   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A     45  109  109     65   84   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A     45  109  109     65   84   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A     45  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A     45  109  109     16   80   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A     45  109  109     13   73   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     45  109  109     13   48   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     45  109  109      3   53   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     45  109  109      6   46   90  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     45  109  109      8   28   79  100  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     45  109  109      9   67   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     45  109  109      9   48   90  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     45  109  109      9   17   32   88  104  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     45  109  109      9   15   89   98  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     45  109  109     58   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     45  109  109     14   69   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A     56  109  109     15   76   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A     60  109  109     55   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A     60  109  109     10   21   87  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A     60  109  109     12   23   66   98  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A     60  109  109      3   47   90  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A     60  109  109      3    4   32   59   89   97  104  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A     60  109  109      4   66   91  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A     60  109  109     46   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A     60  109  109     58   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     60  109  109     58   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     60  109  109     62   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     60  109  109     65   84   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     60  109  109      4   79   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A     60  109  109     52   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     60  109  109     56   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     60  109  109     52   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     60  109  109     65   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A     60  109  109     56   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A     60  109  109     56   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A     60  109  109     58   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A     60  109  109     33   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A     60  109  109     29   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A     60  109  109     33   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A     60  109  109     33   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A     60  109  109     29   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A     60  109  109     29   77   91  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A     59  109  109     30   85   92  102  105  106  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A     59  109  109      4   24   73   92   97  105  107  107  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A     30  109  109      3    3    6    7   11   17   87  102  108  109  109  109  109  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  83.01  (  49.03  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     65     85     92    102    105    106    107    107    108    109    109    109    109    109    109    109    109    109    109    109 
GDT PERCENT_AT  59.63  77.98  84.40  93.58  96.33  97.25  98.17  98.17  99.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.55   0.70   0.90   0.99   1.04   1.10   1.10   1.18   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32
GDT RMS_ALL_AT   1.41   1.36   1.36   1.33   1.34   1.35   1.34   1.34   1.33   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32

# Checking swapping
#   possible swapping detected:  E    12_A      E    12_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  E   103_A      E   103_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     1.577     0    0.125   0.125     2.046   75.119   75.119
LGA    P     2_A      P     2_A     1.066     0    0.017   0.146     1.600   85.952   82.789
LGA    I     3_A      I     3_A     0.493     0    0.080   0.912     2.829   97.619   84.464
LGA    I     4_A      I     4_A     0.543     0    0.058   0.873     2.393   92.857   85.119
LGA    E     5_A      E     5_A     0.525     0    0.014   0.959     5.024   95.238   75.026
LGA    N     6_A      N     6_A     0.205     0    0.015   0.089     0.630  100.000   98.810
LGA    C     7_A      C     7_A     0.249     0    0.019   0.046     0.278  100.000  100.000
LGA    A     8_A      A     8_A     0.334     0    0.062   0.072     0.334  100.000  100.000
LGA    A     9_A      A     9_A     0.235     0    0.043   0.041     0.614   97.619   98.095
LGA    F    10_A      F    10_A     0.236     0    0.014   0.067     0.428  100.000  100.000
LGA    I    11_A      I    11_A     0.203     0    0.009   0.068     0.416  100.000  100.000
LGA    E    12_A      E    12_A     0.391     0    0.013   0.054     0.602  100.000   98.942
LGA    K    13_A      K    13_A     0.541     0    0.085   1.300     6.431   90.595   71.217
LGA    T    14_A      T    14_A     0.831     0    0.087   1.013     2.439   92.857   84.354
LGA    M    15_A      M    15_A     0.449     0    0.053   0.301     0.814   97.619   95.238
LGA    S    16_A      S    16_A     1.014     0    0.058   0.108     1.558   88.214   84.524
LGA    K    17_A      K    17_A     0.575     0    0.011   1.436     6.162   92.857   76.720
LGA    Y    18_A      Y    18_A     0.541     0    0.047   0.080     0.713   95.238   92.063
LGA    A    19_A      A    19_A     0.443     0    0.043   0.054     0.522  100.000   98.095
LGA    I    20_A      I    20_A     0.574     0    0.013   0.030     0.826   90.476   90.476
LGA    T    21_A      T    21_A     0.621     0    0.033   0.051     1.061   90.476   89.184
LGA    L    22_A      L    22_A     0.698     0    0.031   0.066     1.086   90.476   89.345
LGA    S    23_A      S    23_A     0.552     0    0.059   0.080     0.877   90.476   90.476
LGA    D    24_A      D    24_A     0.647     0    0.094   0.159     1.529   90.476   87.143
LGA    G    25_A      G    25_A     0.597     0    0.036   0.036     0.702   90.476   90.476
LGA    T    26_A      T    26_A     0.748     0    0.015   0.075     1.024   90.476   89.184
LGA    I    27_A      I    27_A     0.771     0    0.031   0.097     1.064   88.214   89.345
LGA    L    28_A      L    28_A     0.736     0    0.009   0.041     0.763   90.476   90.476
LGA    K    29_A      K    29_A     0.619     0    0.025   0.416     2.259   90.476   85.661
LGA    S    30_A      S    30_A     0.934     0    0.050   0.118     1.122   88.214   85.952
LGA    T    31_A      T    31_A     0.952     0    0.035   0.054     1.034   90.476   89.184
LGA    I    32_A      I    32_A     0.680     0    0.084   0.128     1.117   88.214   92.917
LGA    K    33_A      K    33_A     0.975     0    0.083   0.713     6.057   90.476   68.571
LGA    N    34_A      N    34_A     1.164     0    0.054   0.246     2.856   81.548   73.214
LGA    E    35_A      E    35_A     1.403     0    0.014   0.854     3.402   75.119   70.582
LGA    T    36_A      T    36_A     1.572     0    0.058   0.076     1.882   75.000   74.082
LGA    L    37_A      L    37_A     1.655     0    0.060   1.393     2.977   72.976   72.083
LGA    K    38_A      K    38_A     2.160     0    0.039   0.802     7.576   64.881   44.921
LGA    K    39_A      K    39_A     2.547     0    0.101   0.194     2.989   60.952   58.836
LGA    T    40_A      T    40_A     1.651     0    0.113   1.142     2.300   75.000   72.993
LGA    F    41_A      F    41_A     2.097     0    0.065   0.611     3.127   66.786   60.000
LGA    P    42_A      P    42_A     3.407     0    0.010   0.284     5.191   53.571   45.850
LGA    I    43_A      I    43_A     2.399     0    0.009   0.070     3.847   69.048   59.643
LGA    L    44_A      L    44_A     0.311     0    0.020   0.089     1.559   92.976   88.452
LGA    K    45_A      K    45_A     1.786     0    0.021   0.787     3.157   75.000   65.132
LGA    N    46_A      N    46_A     1.718     0    0.035   0.861     5.672   81.667   60.179
LGA    L    47_A      L    47_A     0.584     0    0.018   0.065     2.802   88.214   76.667
LGA    L    48_A      L    48_A     1.941     0    0.072   0.110     2.873   69.048   65.952
LGA    K    49_A      K    49_A     2.850     0    0.071   0.687     6.555   55.595   43.757
LGA    D    50_A      D    50_A     1.953     0    0.040   0.364     5.715   72.976   53.512
LGA    Q    51_A      Q    51_A     4.788     0    0.326   0.807    11.431   37.976   19.206
LGA    I    52_A      I    52_A     1.969     0    0.145   1.134     2.833   75.119   70.000
LGA    P    53_A      P    53_A     0.660     0    0.049   0.076     1.211   92.857   90.544
LGA    T    54_A      T    54_A     0.231     0    0.009   0.047     0.397  100.000  100.000
LGA    G    55_A      G    55_A     0.623     0    0.045   0.045     0.635   90.476   90.476
LGA    S    56_A      S    56_A     0.552     0    0.040   0.711     2.571   92.857   86.508
LGA    S    57_A      S    57_A     0.518     0    0.054   0.072     0.662   92.857   92.063
LGA    F    58_A      F    58_A     0.384     0    0.049   0.130     1.002  100.000   93.117
LGA    F    59_A      F    59_A     0.445     0    0.072   0.110     0.634  100.000   93.939
LGA    K    60_A      K    60_A     0.414     0    0.037   0.669     3.013   97.619   89.153
LGA    L    61_A      L    61_A     0.318     0    0.025   0.195     1.392   97.619   92.917
LGA    P    62_A      P    62_A     0.311     0    0.092   0.100     0.457  100.000  100.000
LGA    V    63_A      V    63_A     0.186     0    0.051   0.079     0.651  100.000   98.639
LGA    V    64_A      V    64_A     0.385     0    0.022   0.131     0.553   97.619   97.279
LGA    F    65_A      F    65_A     0.374     0    0.017   0.100     0.748  100.000   96.537
LGA    F    66_A      F    66_A     0.396     0    0.041   0.064     0.471  100.000  100.000
LGA    R    67_A      R    67_A     0.311     0    0.034   0.454     2.768  100.000   89.481
LGA    V    68_A      V    68_A     0.375     0    0.061   1.210     2.775  100.000   88.639
LGA    T    69_A      T    69_A     0.473     0    0.023   0.076     0.519   97.619   98.639
LGA    D    70_A      D    70_A     0.823     0    0.104   0.165     1.561   88.214   86.012
LGA    N    71_A      N    71_A     0.761     0    0.175   1.180     4.645   90.476   76.667
LGA    V    72_A      V    72_A     0.558     0    0.023   0.031     0.624   95.238   94.558
LGA    I    73_A      I    73_A     0.518     0    0.013   0.663     1.926   95.238   93.036
LGA    V    74_A      V    74_A     0.456     0    0.009   0.077     0.800   97.619   95.918
LGA    I    75_A      I    75_A     0.400     0    0.016   0.061     0.412  100.000  100.000
LGA    L    76_A      L    76_A     0.475     0    0.036   0.057     0.561   97.619   96.429
LGA    L    77_A      L    77_A     0.281     0    0.079   0.076     0.503   97.619   98.810
LGA    T    78_A      T    78_A     0.469     0    0.009   0.048     0.915   95.238   95.918
LGA    N    79_A      N    79_A     1.444     0    0.037   1.208     6.028   81.429   60.536
LGA    E    80_A      E    80_A     0.720     0    0.024   0.552     2.549   90.476   79.101
LGA    K    81_A      K    81_A     0.769     0    0.043   0.967     6.275   92.857   72.910
LGA    E    82_A      E    82_A     0.470     0    0.035   0.224     0.653   97.619   97.884
LGA    N    83_A      N    83_A     0.511     0    0.012   0.319     1.355   95.238   92.917
LGA    I    84_A      I    84_A     0.281     0    0.035   0.677     3.412  100.000   90.179
LGA    I    85_A      I    85_A     0.233     0    0.009   0.030     0.354  100.000  100.000
LGA    L    86_A      L    86_A     0.485     0    0.070   0.081     0.667   95.238   96.429
LGA    S    87_A      S    87_A     0.572     0    0.012   0.041     0.703   90.476   90.476
LGA    M    88_A      M    88_A     0.549     0    0.029   0.495     2.377   90.476   86.131
LGA    F    89_A      F    89_A     0.515     0    0.021   0.057     0.678   95.238   93.939
LGA    E    90_A      E    90_A     0.600     0    0.034   0.529     2.943   92.857   84.868
LGA    L    91_A      L    91_A     0.475     0    0.023   1.408     3.513   97.619   81.964
LGA    F    92_A      F    92_A     0.223     0    0.013   0.060     0.336  100.000  100.000
LGA    S    93_A      S    93_A     0.238     0    0.053   0.076     0.465  100.000  100.000
LGA    T    94_A      T    94_A     0.145     0    0.040   0.095     0.264  100.000  100.000
LGA    Q    95_A      Q    95_A     0.242     0    0.033   0.929     3.709  100.000   86.772
LGA    F    96_A      F    96_A     0.193     0    0.046   0.073     0.217  100.000  100.000
LGA    A    97_A      A    97_A     0.376     0    0.033   0.036     0.605   95.238   96.190
LGA    E    98_A      E    98_A     0.632     0    0.042   0.726     3.356   90.476   81.164
LGA    K    99_A      K    99_A     0.678     0    0.032   0.281     1.242   90.476   89.471
LGA    L   100_A      L   100_A     0.520     0    0.027   0.039     0.823   92.857   96.429
LGA    A   101_A      A   101_A     1.111     0    0.013   0.026     1.428   83.690   83.238
LGA    L   102_A      L   102_A     1.351     0    0.034   0.054     1.610   79.286   79.286
LGA    E   103_A      E   103_A     1.192     0    0.015   0.740     1.901   81.429   81.481
LGA    Y   104_A      Y   104_A     1.163     0    0.032   0.064     1.278   81.429   85.198
LGA    P   105_A      P   105_A     1.657     0    0.013   0.039     1.915   75.000   74.082
LGA    R   106_A      R   106_A     2.038     0    0.135   1.181     9.386   63.095   42.597
LGA    T   107_A      T   107_A     1.925     0    0.012   0.080     2.495   68.810   73.061
LGA    Y   108_A      Y   108_A     3.704     0    0.454   1.216    10.854   45.119   24.484
LGA    E   109_A      E   109_A     6.564     0    0.657   1.137    13.545   12.381    6.138

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      109     436    436  100.00     875    875  100.00               109
SUMMARY(RMSD_GDC):     1.323          1.331                  2.145           88.080   83.176

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0    107    1.10    92.431    95.992     8.935

LGA_LOCAL      RMSD:   1.098  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.337  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   1.323  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.894378 * X  +   0.230211 * Y  +  -0.383524 * Z  +  11.323297
  Y_new =   0.433018 * X  +  -0.660604 * Y  +   0.613269 * Z  +   7.524812
  Z_new =  -0.112177 * X  +  -0.714567 * Y  +  -0.690515 * Z  +  13.823708 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.450892  0.112413 -2.339078   [DEG:   25.8342    6.4408 -134.0193 ]
ZXZ: -2.582722  2.332997 -2.985878   [DEG: -147.9791  133.6709 -171.0782 ]
 
# END of job
