
#######################################################
#                                                     #
#                        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       1.22     1.22
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       2_C - 109_C       1.22     1.22
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77      33_C - 109_C       0.90     1.25
  LCS_AVERAGE:     57.65

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     28  108  108     39   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P     3_C     P     3_C     28  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D     4_C     D     4_C     28  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     5_C     E     5_C     28  108  108     43   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     6_C     E     6_C     28  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     7_C     K     7_C     28  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L     8_C     L     8_C     28  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     9_C     K     9_C     28  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    10_C     L    10_C     28  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    11_C     L    11_C     28  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    12_C     D    12_C     28  108  108     42   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    13_C     T    13_C     28  108  108     41   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    14_C     L    14_C     28  108  108     41   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    15_C     L    15_C     28  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    16_C     T    16_C     28  108  108     41   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    17_C     M    17_C     28  108  108     41   74   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    18_C     V    18_C     28  108  108     41   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    19_C     E    19_C     28  108  108     42   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    20_C     W    20_C     28  108  108     41   74   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    21_C     V    21_C     28  108  108     33   74   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    22_C     K    22_C     28  108  108     38   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    23_C     E    23_C     28  108  108     38   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    24_C     L    24_C     28  108  108     27   63   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    25_C     L    25_C     28  108  108     15   53   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    26_C     E    26_C     28  108  108      7   53   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    27_C     E    27_C     28  108  108      7   53   86  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    28_C     S    28_C     28  108  108      7   24   59   90  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    29_C     V    29_C     28  108  108      3   12   18   59  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    30_C     E    30_C      3  108  108      3    3    9   19   96  103  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    31_C     K    31_C      4  108  108      3    3   12   18   60  102  107  107  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   96  103  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    33_C     S    33_C     77  108  108      4   25   75  101  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    34_C     R    34_C     77  108  108     17   76   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    35_C     M    35_C     77  108  108     18   25   97  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    36_C     R    36_C     77  108  108     18   26   98  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     H    37_C     H    37_C     77  108  108     18   71   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    38_C     I    38_C     77  108  108     18   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    39_C     R    39_C     77  108  108     18   33   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    40_C     A    40_C     77  108  108     18   26   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    41_C     V    41_C     77  108  108     18   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    42_C     M    42_C     77  108  108     18   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    43_C     W    43_C     77  108  108     18   66   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    44_C     A    44_C     77  108  108     18   70   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    45_C     E    45_C     77  108  108     18   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    46_C     Y    46_C     77  108  108     18   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    47_C     M    47_C     77  108  108     18   60   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    48_C     L    48_C     77  108  108     18   67   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    49_C     E    49_C     77  108  108     18   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    50_C     I    50_C     77  108  108     18   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    51_C     A    51_C     77  108  108     18   52   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    52_C     R    52_C     77  108  108     18   50   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    53_C     S    53_C     77  108  108     19   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    54_C     L    54_C     77  108  108     17   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    55_C     E    55_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    56_C     D    56_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    57_C     E    57_C     77  108  108     21   74   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    58_C     K    58_C     77  108  108     41   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    59_C     I    59_C     77  108  108     18   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    60_C     L    60_C     77  108  108     18   73   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    61_C     E    61_C     77  108  108     40   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    62_C     I    62_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    63_C     A    63_C     77  108  108     18   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    64_C     E    64_C     77  108  108     27   73   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    65_C     K    65_C     77  108  108     33   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    66_C     L    66_C     77  108  108     40   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    67_C     E    67_C     77  108  108     27   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    68_C     K    68_C     77  108  108     27   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    69_C     A    69_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    70_C     L    70_C     77  108  108      8   71   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P    71_C     P    71_C     77  108  108     27   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    72_C     E    72_C     77  108  108     16   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    73_C     K    73_C     77  108  108     16   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    74_C     S    74_C     77  108  108     37   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    75_C     K    75_C     77  108  108     41   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    76_C     M    76_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     F    77_C     F    77_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    78_C     T    78_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    79_C     K    79_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    80_C     E    80_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    81_C     E    81_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    82_C     Y    82_C     77  108  108     27   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    83_C     E    83_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    84_C     K    84_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    85_C     L    85_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    86_C     M    86_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    87_C     E    87_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    88_C     V    88_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    89_C     L    89_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    90_C     E    90_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    91_C     E    91_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    92_C     L    92_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    93_C     E    93_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    94_C     E    94_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    95_C     V    95_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    96_C     L    96_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    97_C     E    97_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    98_C     E    98_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    99_C     K    99_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K   100_C     K   100_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   101_C     E   101_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   102_C     E   102_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V   103_C     V   103_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   104_C     E   104_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   105_C     E   105_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R   106_C     R   106_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I   107_C     I   107_C     77  108  108     44   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   108_C     E   108_C     77  108  108     41   74   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     G   109_C     G   109_C     77  108  108     36   77   99  102  104  105  107  107  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_AVERAGE  LCS_A:  85.88  (  57.65  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     44     77     99    102    104    105    107    107    108    108    108    108    108    108    108    108    108    108    108    108 
GDT PERCENT_AT  40.74  71.30  91.67  94.44  96.30  97.22  99.07  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
GDT RMS_LOCAL    0.32   0.62   0.83   0.89   0.96   0.98   1.13   1.13   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22
GDT RMS_ALL_AT   1.25   1.23   1.23   1.23   1.24   1.24   1.23   1.23   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22

# Checking swapping
#   possible swapping detected:  E    23_C      E    23_C
#   possible swapping detected:  Y    46_C      Y    46_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:  E    72_C      E    72_C
#   possible swapping detected:  F    77_C      F    77_C
#   possible swapping detected:  E    80_C      E    80_C
#   possible swapping detected:  Y    82_C      Y    82_C
#   possible swapping detected:  E    87_C      E    87_C
#   possible swapping detected:  E    91_C      E    91_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     0.506     0    0.069   0.436     1.787   95.238   88.452
LGA    P     3_C      P     3_C     0.221     0    0.031   0.042     0.409  100.000  100.000
LGA    D     4_C      D     4_C     0.246     0    0.055   0.072     0.535   97.619   98.810
LGA    E     5_C      E     5_C     0.433     0    0.084   0.884     3.420  100.000   83.651
LGA    E     6_C      E     6_C     0.450     0    0.058   0.487     1.237   97.619   92.698
LGA    K     7_C      K     7_C     0.389     0    0.021   0.894     3.236  100.000   80.899
LGA    L     8_C      L     8_C     0.394     0    0.044   0.110     0.634   97.619   97.619
LGA    K     9_C      K     9_C     0.419     0    0.021   0.634     2.010  100.000   92.011
LGA    L    10_C      L    10_C     0.393     0    0.007   1.275     2.661  100.000   87.917
LGA    L    11_C      L    11_C     0.541     0    0.025   0.083     0.702   90.476   95.238
LGA    D    12_C      D    12_C     0.693     0    0.038   0.209     0.979   90.476   90.476
LGA    T    13_C      T    13_C     0.882     0    0.024   0.034     0.993   90.476   90.476
LGA    L    14_C      L    14_C     0.751     0    0.006   0.156     1.051   90.476   90.536
LGA    L    15_C      L    15_C     0.565     0    0.012   0.065     0.744   90.476   91.667
LGA    T    16_C      T    16_C     0.976     0    0.043   0.969     2.193   90.476   82.993
LGA    M    17_C      M    17_C     0.967     0    0.039   0.947     2.551   90.476   82.917
LGA    V    18_C      V    18_C     0.588     0    0.019   0.079     0.668   90.476   91.837
LGA    E    19_C      E    19_C     0.567     0    0.012   0.791     3.382   90.476   79.259
LGA    W    20_C      W    20_C     1.012     0    0.034   1.519     6.981   88.214   55.102
LGA    V    21_C      V    21_C     0.980     0    0.043   0.110     1.507   90.476   85.374
LGA    K    22_C      K    22_C     0.534     0    0.013   0.241     0.812   90.476   93.651
LGA    E    23_C      E    23_C     0.472     0    0.027   0.943     2.942   95.238   82.275
LGA    L    24_C      L    24_C     1.207     0    0.008   0.181     1.575   81.548   80.417
LGA    L    25_C      L    25_C     1.553     0    0.010   0.768     2.506   72.976   73.095
LGA    E    26_C      E    26_C     1.808     0    0.054   0.278     2.575   69.048   71.164
LGA    E    27_C      E    27_C     2.050     0    0.251   0.253     2.073   70.952   71.111
LGA    S    28_C      S    28_C     2.867     0    0.559   0.520     3.887   53.690   50.238
LGA    V    29_C      V    29_C     2.575     0    0.463   0.637     3.844   64.881   57.551
LGA    E    30_C      E    30_C     3.966     0    0.533   0.930     7.717   40.476   28.677
LGA    K    31_C      K    31_C     4.179     0    0.132   0.905     9.613   40.238   23.862
LGA    N    32_C      N    32_C     5.145     0    0.110   0.876    10.215   33.571   18.571
LGA    S    33_C      S    33_C     2.467     0    0.657   0.811     5.021   72.976   59.206
LGA    R    34_C      R    34_C     1.333     0    0.078   1.598     4.752   79.286   66.407
LGA    M    35_C      M    35_C     2.131     0    0.005   0.993     6.575   68.810   56.607
LGA    R    36_C      R    36_C     1.904     0    0.005   1.079     4.674   72.857   56.234
LGA    H    37_C      H    37_C     1.148     0    0.024   1.060     2.429   81.429   78.952
LGA    I    38_C      I    38_C     1.146     0    0.031   0.102     2.021   81.429   76.131
LGA    R    39_C      R    39_C     1.681     0    0.027   1.023     3.595   75.000   69.091
LGA    A    40_C      A    40_C     1.496     0    0.031   0.034     1.610   81.429   79.714
LGA    V    41_C      V    41_C     1.083     0    0.056   0.056     1.197   81.429   81.429
LGA    M    42_C      M    42_C     1.084     0    0.027   0.860     5.964   81.429   63.988
LGA    W    43_C      W    43_C     1.341     0    0.018   0.481     2.303   81.429   77.857
LGA    A    44_C      A    44_C     1.231     0    0.008   0.027     1.249   81.429   81.429
LGA    E    45_C      E    45_C     0.980     0    0.025   0.136     1.154   88.214   88.466
LGA    Y    46_C      Y    46_C     1.017     0    0.032   1.086     6.962   81.429   62.183
LGA    M    47_C      M    47_C     1.464     0    0.025   0.612     1.733   81.429   83.750
LGA    L    48_C      L    48_C     1.382     0    0.007   1.392     4.853   81.429   64.881
LGA    E    49_C      E    49_C     1.048     0    0.013   0.925     2.191   81.429   79.630
LGA    I    50_C      I    50_C     1.115     0    0.048   0.110     1.506   81.429   80.357
LGA    A    51_C      A    51_C     1.493     0    0.064   0.071     1.752   79.286   78.000
LGA    R    52_C      R    52_C     1.480     0    0.014   0.556     3.540   79.286   69.784
LGA    S    53_C      S    53_C     0.880     0    0.036   0.664     2.920   85.952   81.905
LGA    L    54_C      L    54_C     0.886     0    0.096   1.022     3.261   90.476   83.155
LGA    E    55_C      E    55_C     0.262     0    0.036   0.755     3.460   97.619   79.947
LGA    D    56_C      D    56_C     0.400     0    0.089   0.238     0.891   95.238   95.238
LGA    E    57_C      E    57_C     0.998     0    0.100   0.869     1.980   90.476   85.556
LGA    K    58_C      K    58_C     0.474     0    0.072   0.729     1.993   97.619   87.725
LGA    I    59_C      I    59_C     0.794     0    0.011   0.664     2.125   88.214   85.000
LGA    L    60_C      L    60_C     1.125     0    0.041   1.404     4.430   83.690   74.940
LGA    E    61_C      E    61_C     0.700     0    0.010   0.117     1.121   90.476   89.471
LGA    I    62_C      I    62_C     0.472     0    0.036   0.553     2.212   95.238   93.214
LGA    A    63_C      A    63_C     1.082     0    0.021   0.020     1.367   83.690   83.238
LGA    E    64_C      E    64_C     1.268     0    0.013   0.785     4.163   81.429   64.656
LGA    K    65_C      K    65_C     0.798     0    0.020   0.574     2.302   90.476   79.048
LGA    L    66_C      L    66_C     0.730     0    0.032   0.180     1.087   90.476   89.345
LGA    E    67_C      E    67_C     1.069     0    0.008   0.228     2.170   83.690   75.926
LGA    K    68_C      K    68_C     1.115     0    0.027   1.284     7.255   83.690   60.899
LGA    A    69_C      A    69_C     0.663     0    0.142   0.148     0.748   90.476   90.476
LGA    L    70_C      L    70_C     1.232     0    0.037   0.151     2.286   81.429   76.131
LGA    P    71_C      P    71_C     0.989     0    0.079   0.127     1.533   83.810   86.667
LGA    E    72_C      E    72_C     1.050     0    0.048   1.072     3.349   88.214   73.704
LGA    K    73_C      K    73_C     1.030     0    0.151   0.594     2.288   83.690   77.725
LGA    S    74_C      S    74_C     0.759     0    0.059   0.081     1.287   88.214   85.952
LGA    K    75_C      K    75_C     0.551     0    0.035   0.840     5.888   95.238   68.254
LGA    M    76_C      M    76_C     0.312     0    0.095   0.510     2.479  100.000   95.595
LGA    F    77_C      F    77_C     0.478     0    0.025   0.762     3.379   95.238   80.736
LGA    T    78_C      T    78_C     0.739     0    0.023   0.056     0.806   90.476   90.476
LGA    K    79_C      K    79_C     0.631     0    0.014   0.715     2.847   90.476   87.831
LGA    E    80_C      E    80_C     0.722     0    0.058   0.808     2.757   90.476   81.852
LGA    E    81_C      E    81_C     0.546     0    0.047   0.622     2.152   90.476   84.762
LGA    Y    82_C      Y    82_C     0.809     0    0.025   1.178     7.550   90.476   59.762
LGA    E    83_C      E    83_C     0.477     0    0.030   0.066     0.691   97.619   95.767
LGA    K    84_C      K    84_C     0.565     0    0.032   1.109     5.225   90.476   69.894
LGA    L    85_C      L    85_C     0.445     0    0.017   1.312     3.182  100.000   85.952
LGA    M    86_C      M    86_C     0.192     0    0.019   0.823     2.527  100.000   93.452
LGA    E    87_C      E    87_C     0.308     0    0.052   0.802     2.953  100.000   79.894
LGA    V    88_C      V    88_C     0.370     0    0.032   0.123     0.745  100.000   97.279
LGA    L    89_C      L    89_C     0.166     0    0.019   0.138     0.708  100.000   97.619
LGA    E    90_C      E    90_C     0.133     0    0.023   0.872     3.880  100.000   83.386
LGA    E    91_C      E    91_C     0.205     0    0.015   0.875     2.475  100.000   87.037
LGA    L    92_C      L    92_C     0.340     0    0.037   0.118     0.417  100.000  100.000
LGA    E    93_C      E    93_C     0.289     0    0.046   0.172     0.712  100.000   98.942
LGA    E    94_C      E    94_C     0.288     0    0.038   0.085     1.007  100.000   94.762
LGA    V    95_C      V    95_C     0.387     0    0.057   0.071     0.998  100.000   95.918
LGA    L    96_C      L    96_C     0.200     0    0.019   0.090     0.242  100.000  100.000
LGA    E    97_C      E    97_C     0.286     0    0.024   0.875     3.799  100.000   85.026
LGA    E    98_C      E    98_C     0.453     0    0.030   0.089     0.754  100.000   94.709
LGA    K    99_C      K    99_C     0.385     0    0.010   1.060     4.150  100.000   88.042
LGA    K   100_C      K   100_C     0.243     0    0.042   0.624     3.193  100.000   90.265
LGA    E   101_C      E   101_C     0.448     0    0.011   0.127     1.747  100.000   90.741
LGA    E   102_C      E   102_C     0.300     0    0.042   0.543     1.441  100.000   93.704
LGA    V   103_C      V   103_C     0.279     0    0.020   0.057     0.401  100.000  100.000
LGA    E   104_C      E   104_C     0.431     0    0.023   0.304     1.537   97.619   91.693
LGA    E   105_C      E   105_C     0.491     0    0.008   0.146     1.361  100.000   91.693
LGA    R   106_C      R   106_C     0.280     0    0.007   1.322     4.395  100.000   80.823
LGA    I   107_C      I   107_C     0.604     0    0.065   0.160     1.007   92.857   90.536
LGA    E   108_C      E   108_C     1.019     0    0.410   0.436     2.766   77.619   84.815
LGA    G   109_C      G   109_C     0.885     0    0.515   0.515     1.448   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):     1.224          1.201                  2.011           88.135   81.130

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  110  108    4.0    107    1.13    91.204    96.207     8.710

LGA_LOCAL      RMSD:   1.129  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.228  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   1.224  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.052186 * X  +  -0.208143 * Y  +  -0.976705 * Z  +  17.903856
  Y_new =   0.081021 * X  +  -0.975696 * Y  +   0.203599 * Z  +  -5.011959
  Z_new =  -0.995345 * X  +  -0.068508 * Y  +   0.067782 * Z  +  12.260383 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.143019  1.474274 -0.790728   [DEG:  122.7860   84.4697  -45.3054 ]
ZXZ: -1.776308  1.502962 -1.639517   [DEG: -101.7750   86.1134  -93.9374 ]
 
# END of job
