
#######################################################
#                                                     #
#                        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  114 (  964),  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       2.06     2.06
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   107       3_C - 109_C       1.96     2.06
  LCS_AVERAGE:     98.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      77_C - 109_C       0.98     2.30
  LCS_AVERAGE:     24.62

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      3   71  108      3    3    3    3    3    4   82   96  100  104  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     P     3_C     P     3_C     28  107  108     34   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     D     4_C     D     4_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     5_C     E     5_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     6_C     E     6_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     7_C     K     7_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L     8_C     L     8_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     9_C     K     9_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    10_C     L    10_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    11_C     L    11_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    12_C     D    12_C     28  107  108     28   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    13_C     T    13_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    14_C     L    14_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    15_C     L    15_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    16_C     T    16_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    17_C     M    17_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    18_C     V    18_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    19_C     E    19_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    20_C     W    20_C     28  107  108     28   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    21_C     V    21_C     28  107  108     28   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    22_C     K    22_C     28  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    23_C     E    23_C     28  107  108     28   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    24_C     L    24_C     28  107  108     15   55   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    25_C     L    25_C     28  107  108     18   55   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    26_C     E    26_C     28  107  108     18   54   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    27_C     E    27_C     28  107  108      8   31   67   83   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    28_C     S    28_C     28  107  108     15   50   71   85   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    29_C     V    29_C     28  107  108      6   35   65   83   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    30_C     E    30_C     28  107  108      4    4   13   40   84   95  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    31_C     K    31_C     26  107  108      4   22   24   54   85   95  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     N    32_C     N    32_C     26  107  108      3    4    5    9   33   87   99  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    33_C     S    33_C     26  107  108     17   22   59   84   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    34_C     R    34_C     26  107  108     17   34   66   84   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    35_C     M    35_C     26  107  108     17   52   73   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    36_C     R    36_C     26  107  108     17   57   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     H    37_C     H    37_C     26  107  108     17   34   58   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    38_C     I    38_C     26  107  108     17   30   71   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    39_C     R    39_C     26  107  108     17   35   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    40_C     A    40_C     26  107  108     17   46   72   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    41_C     V    41_C     26  107  108     17   23   60   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    42_C     M    42_C     26  107  108     17   30   71   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    43_C     W    43_C     26  107  108     17   45   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    44_C     A    44_C     26  107  108     17   34   71   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    45_C     E    45_C     26  107  108     17   22   70   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    46_C     Y    46_C     26  107  108     17   28   71   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    47_C     M    47_C     26  107  108     17   57   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    48_C     L    48_C     26  107  108     17   27   71   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    49_C     E    49_C     26  107  108     17   22   62   85   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    50_C     I    50_C     26  107  108     17   30   72   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    51_C     A    51_C     26  107  108     17   22   72   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    52_C     R    52_C     26  107  108     17   23   50   80   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    53_C     S    53_C     26  107  108      6   24   60   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    54_C     L    54_C     26  107  108      7   48   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    55_C     E    55_C     26  107  108     13   57   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    56_C     D    56_C     26  107  108     10   42   71   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    57_C     E    57_C     25  107  108     18   48   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    58_C     K    58_C     19  107  108     31   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    59_C     I    59_C     19  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    60_C     L    60_C     19  107  108     33   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    61_C     E    61_C     19  107  108     28   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    62_C     I    62_C     19  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    63_C     A    63_C     19  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    64_C     E    64_C     19  107  108     27   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    65_C     K    65_C     19  107  108     31   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    66_C     L    66_C     19  107  108     20   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    67_C     E    67_C     19  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    68_C     K    68_C     19  107  108     15   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    69_C     A    69_C     19  107  108     12   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    70_C     L    70_C     19  107  108     11   45   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     P    71_C     P    71_C     18  107  108      3   28   69   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    72_C     E    72_C      6  107  108      0    4    6    6   35   45   61   94  101  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    73_C     K    73_C      6  107  108      3    5    6   26   35   78   91   99  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    74_C     S    74_C      6  107  108      3    5    6    6    6   11   86   97  103  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    75_C     K    75_C      6  107  108      3   12   27   53   75   89   98  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    76_C     M    76_C      6  107  108      3    5   10   22   53   86   99  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     F    77_C     F    77_C     33  107  108      3    5    6    6    9   15   58  100  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    78_C     T    78_C     33  107  108     11   57   74   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    79_C     K    79_C     33  107  108     29   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    80_C     E    80_C     33  107  108     27   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    81_C     E    81_C     33  107  108     27   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    82_C     Y    82_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    83_C     E    83_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    84_C     K    84_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    85_C     L    85_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    86_C     M    86_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    87_C     E    87_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    88_C     V    88_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    89_C     L    89_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    90_C     E    90_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    91_C     E    91_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    92_C     L    92_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    93_C     E    93_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    94_C     E    94_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    95_C     V    95_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    96_C     L    96_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    97_C     E    97_C     33  107  108     33   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    98_C     E    98_C     33  107  108     25   58   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    99_C     K    99_C     33  107  108     30   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     K   100_C     K   100_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   101_C     E   101_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   102_C     E   102_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     V   103_C     V   103_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   104_C     E   104_C     33  107  108     35   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   105_C     E   105_C     33  107  108     34   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     R   106_C     R   106_C     33  107  108     31   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     I   107_C     I   107_C     33  107  108     15   45   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   108_C     E   108_C     33  107  108     13   45   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_GDT     G   109_C     G   109_C     33  107  108     20   61   75   86   96   98  100  103  105  107  107  108  108  108  108  108  108  108  108  108 
LCS_AVERAGE  LCS_A:  74.46  (  24.62   98.77  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     35     61     75     86     96     98    100    103    105    107    107    108    108    108    108    108    108    108    108    108 
GDT PERCENT_AT  32.41  56.48  69.44  79.63  88.89  90.74  92.59  95.37  97.22  99.07  99.07 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.55   0.80   1.02   1.28   1.32   1.46   1.63   1.78   1.96   1.96   2.06   2.06   2.06   2.06   2.06   2.06   2.06   2.06   2.06
GDT RMS_ALL_AT   2.13   2.18   2.16   2.15   2.12   2.13   2.10   2.08   2.07   2.06   2.06   2.06   2.06   2.06   2.06   2.06   2.06   2.06   2.06   2.06

# Checking swapping
#   possible swapping detected:  E     6_C      E     6_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:  D    56_C      D    56_C
#   possible swapping detected:  E    57_C      E    57_C
#   possible swapping detected:  E    64_C      E    64_C
#   possible swapping detected:  E    67_C      E    67_C
#   possible swapping detected:  E    81_C      E    81_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     6.615     0    0.589   0.681    12.309   21.667   11.726
LGA    P     3_C      P     3_C     0.824     0    0.604   0.660     3.119   86.071   73.742
LGA    D     4_C      D     4_C     0.500     0    0.083   0.158     1.114   95.238   91.726
LGA    E     5_C      E     5_C     0.473     0    0.047   0.880     3.218  100.000   83.651
LGA    E     6_C      E     6_C     0.490     0    0.119   1.000     4.896  100.000   71.958
LGA    K     7_C      K     7_C     0.527     0    0.034   0.766     4.271   92.857   73.968
LGA    L     8_C      L     8_C     0.682     0    0.058   0.092     1.041   90.476   89.345
LGA    K     9_C      K     9_C     0.500     0    0.023   0.672     2.960   95.238   86.243
LGA    L    10_C      L    10_C     0.202     0    0.025   1.282     2.853  100.000   86.845
LGA    L    11_C      L    11_C     0.559     0    0.040   0.160     0.898   90.476   90.476
LGA    D    12_C      D    12_C     0.620     0    0.042   0.514     1.542   95.238   89.524
LGA    T    13_C      T    13_C     0.386     0    0.012   0.066     0.593   97.619   95.918
LGA    L    14_C      L    14_C     0.441     0    0.024   0.132     0.902  100.000   95.238
LGA    L    15_C      L    15_C     0.389     0    0.050   1.359     3.338  100.000   83.095
LGA    T    16_C      T    16_C     0.479     0    0.031   1.269     2.501  100.000   87.483
LGA    M    17_C      M    17_C     0.470     0    0.071   0.975     2.903   92.857   87.560
LGA    V    18_C      V    18_C     0.499     0    0.022   0.131     0.701   97.619   95.918
LGA    E    19_C      E    19_C     0.433     0    0.030   0.801     3.329  100.000   86.455
LGA    W    20_C      W    20_C     0.619     0    0.016   1.220     5.226   90.476   68.435
LGA    V    21_C      V    21_C     0.543     0    0.031   0.134     0.723   92.857   91.837
LGA    K    22_C      K    22_C     0.367     0    0.022   0.771     2.882   95.238   85.132
LGA    E    23_C      E    23_C     0.706     0    0.027   0.942     2.115   90.476   84.603
LGA    L    24_C      L    24_C     1.242     0    0.032   0.156     1.799   81.548   78.274
LGA    L    25_C      L    25_C     1.326     0    0.049   0.151     1.783   79.286   82.619
LGA    E    26_C      E    26_C     1.523     0    0.034   0.280     2.160   72.976   79.683
LGA    E    27_C      E    27_C     2.364     0    0.134   0.222     3.225   68.810   61.534
LGA    S    28_C      S    28_C     2.007     0    0.121   0.151     2.473   64.762   71.825
LGA    V    29_C      V    29_C     2.365     0    0.072   0.801     3.984   55.714   59.660
LGA    E    30_C      E    30_C     4.264     0    0.075   0.234     6.637   37.619   29.471
LGA    K    31_C      K    31_C     4.193     0    0.316   0.617     9.216   43.571   26.984
LGA    N    32_C      N    32_C     4.032     0    0.315   0.600    10.415   41.905   24.107
LGA    S    33_C      S    33_C     2.166     0    0.142   0.516     2.689   60.952   66.349
LGA    R    34_C      R    34_C     2.909     0    0.036   1.261     5.068   60.952   49.048
LGA    M    35_C      M    35_C     1.815     0    0.029   1.223     8.246   75.000   57.024
LGA    R    36_C      R    36_C     0.930     0    0.029   1.059     5.796   85.952   62.900
LGA    H    37_C      H    37_C     2.464     0    0.019   0.837     5.242   66.786   51.143
LGA    I    38_C      I    38_C     2.754     0    0.041   0.114     4.380   62.857   52.381
LGA    R    39_C      R    39_C     1.483     0    0.042   1.007     5.351   79.286   64.286
LGA    A    40_C      A    40_C     1.376     0    0.017   0.015     2.129   77.143   74.667
LGA    V    41_C      V    41_C     2.640     0    0.081   0.072     4.259   62.857   52.721
LGA    M    42_C      M    42_C     2.411     0    0.029   0.973     6.167   68.810   54.107
LGA    W    43_C      W    43_C     1.151     0    0.033   0.564     3.068   83.690   76.395
LGA    A    44_C      A    44_C     1.610     0    0.037   0.045     2.185   75.000   72.952
LGA    E    45_C      E    45_C     2.487     0    0.013   0.114     4.006   64.762   54.444
LGA    Y    46_C      Y    46_C     1.991     0    0.039   1.072     4.964   72.857   61.151
LGA    M    47_C      M    47_C     0.980     0    0.027   0.637     1.345   83.690   85.952
LGA    L    48_C      L    48_C     1.982     0    0.057   0.081     3.142   70.952   62.262
LGA    E    49_C      E    49_C     2.583     0    0.089   1.010     3.831   62.857   54.233
LGA    I    50_C      I    50_C     1.658     0    0.026   0.601     2.792   77.143   72.024
LGA    A    51_C      A    51_C     1.448     0    0.062   0.061     2.087   77.143   74.667
LGA    R    52_C      R    52_C     2.701     0    0.102   0.784     6.593   59.048   38.701
LGA    S    53_C      S    53_C     2.303     0    0.129   0.706     2.587   68.810   66.190
LGA    L    54_C      L    54_C     1.282     0    0.160   0.306     1.775   79.286   80.417
LGA    E    55_C      E    55_C     1.245     0    0.441   0.716     8.334   77.262   48.307
LGA    D    56_C      D    56_C     1.648     0    0.058   0.681     7.287   81.548   50.476
LGA    E    57_C      E    57_C     1.421     0    0.045   1.015     3.245   83.810   68.360
LGA    K    58_C      K    58_C     0.459     0    0.022   0.837     2.713   97.619   84.233
LGA    I    59_C      I    59_C     0.327     0    0.014   0.675     2.790  100.000   94.643
LGA    L    60_C      L    60_C     0.721     0    0.085   1.379     4.441   90.476   75.476
LGA    E    61_C      E    61_C     0.768     0    0.020   0.209     1.396   90.476   87.460
LGA    I    62_C      I    62_C     0.345     0    0.021   0.513     2.039   95.238   93.214
LGA    A    63_C      A    63_C     0.696     0    0.031   0.047     1.023   90.476   88.667
LGA    E    64_C      E    64_C     0.953     0    0.080   0.690     1.949   90.476   82.593
LGA    K    65_C      K    65_C     0.880     0    0.039   1.006     6.647   85.952   60.529
LGA    L    66_C      L    66_C     0.991     0    0.022   0.173     1.665   85.952   84.881
LGA    E    67_C      E    67_C     0.951     0    0.163   0.603     1.922   90.476   84.550
LGA    K    68_C      K    68_C     1.796     0    0.041   0.713     2.353   72.857   73.915
LGA    A    69_C      A    69_C     1.825     0    0.087   0.109     1.880   72.857   72.857
LGA    L    70_C      L    70_C     1.882     0    0.615   0.628     3.707   63.452   63.155
LGA    P    71_C      P    71_C     1.678     0    0.695   0.700     5.742   65.357   51.905
LGA    E    72_C      E    72_C     6.584     0    0.666   0.492    10.831   19.762    9.153
LGA    K    73_C      K    73_C     5.904     0    0.201   0.874     6.500   23.095   21.693
LGA    S    74_C      S    74_C     6.894     0    0.092   0.133     9.706   16.190   11.349
LGA    K    75_C      K    75_C     5.175     0    0.055   1.096     5.803   32.024   30.635
LGA    M    76_C      M    76_C     3.884     0    0.582   1.203     8.228   41.786   30.833
LGA    F    77_C      F    77_C     4.937     0    0.030   1.188    10.418   35.833   15.065
LGA    T    78_C      T    78_C     2.072     0    0.091   0.941     2.946   64.881   64.898
LGA    K    79_C      K    79_C     1.764     0    0.060   1.033     5.689   75.000   55.238
LGA    E    80_C      E    80_C     1.901     0    0.038   0.196     3.138   72.857   63.386
LGA    E    81_C      E    81_C     1.252     0    0.034   1.051     5.602   85.952   61.587
LGA    Y    82_C      Y    82_C     0.482     0    0.036   1.230     9.672   95.238   55.278
LGA    E    83_C      E    83_C     0.979     0    0.047   0.108     1.885   90.476   82.593
LGA    K    84_C      K    84_C     0.983     0    0.058   0.779     4.725   90.476   68.677
LGA    L    85_C      L    85_C     0.527     0    0.055   1.347     2.633   92.857   82.202
LGA    M    86_C      M    86_C     0.661     0    0.031   1.018     4.105   92.857   80.833
LGA    E    87_C      E    87_C     1.076     0    0.039   0.875     3.931   88.214   67.513
LGA    V    88_C      V    88_C     0.876     0    0.028   0.125     1.079   90.476   89.184
LGA    L    89_C      L    89_C     0.661     0    0.021   0.125     1.073   90.476   89.345
LGA    E    90_C      E    90_C     0.567     0    0.083   0.912     4.014   92.857   77.407
LGA    E    91_C      E    91_C     0.498     0    0.020   0.871     3.184   95.238   80.582
LGA    L    92_C      L    92_C     0.524     0    0.030   0.062     0.524   92.857   96.429
LGA    E    93_C      E    93_C     0.656     0    0.083   0.196     1.286   90.476   89.471
LGA    E    94_C      E    94_C     0.997     0    0.013   0.062     1.617   90.476   84.497
LGA    V    95_C      V    95_C     0.853     0    0.060   0.054     0.938   90.476   90.476
LGA    L    96_C      L    96_C     0.548     0    0.023   0.078     0.662   90.476   95.238
LGA    E    97_C      E    97_C     0.906     0    0.073   0.128     1.231   88.214   86.455
LGA    E    98_C      E    98_C     1.373     0    0.034   0.095     2.777   81.429   72.222
LGA    K    99_C      K    99_C     0.912     0    0.024   1.010     3.108   88.214   81.958
LGA    K   100_C      K   100_C     0.232     0    0.050   0.648     3.689  100.000   88.519
LGA    E   101_C      E   101_C     0.533     0    0.066   0.173     1.719   95.238   87.619
LGA    E   102_C      E   102_C     0.672     0    0.031   0.722     2.154   90.476   81.799
LGA    V   103_C      V   103_C     0.655     0    0.021   0.060     0.932   90.476   90.476
LGA    E   104_C      E   104_C     0.555     0    0.052   0.406     2.012   92.857   86.667
LGA    E   105_C      E   105_C     0.520     0    0.222   0.283     1.753   86.071   84.656
LGA    R   106_C      R   106_C     0.791     0    0.021   1.373     5.494   85.952   66.797
LGA    I   107_C      I   107_C     1.669     0    0.075   0.143     2.279   72.976   75.060
LGA    E   108_C      E   108_C     1.833     0    0.452   0.444     3.529   63.452   66.878
LGA    G   109_C      G   109_C     1.513     0    0.598   0.598     2.943   71.071   71.071

# 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):     2.060          1.986                  2.942           78.967   70.445

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  114  108    4.0    103    1.63    82.870    90.371     5.957

LGA_LOCAL      RMSD:   1.629  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.080  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   2.060  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.845760 * X  +   0.318125 * Y  +  -0.428353 * Z  +   0.113337
  Y_new =  -0.259105 * X  +  -0.456924 * Y  +  -0.850932 * Z  + -18.038054
  Z_new =  -0.466428 * X  +   0.830672 * Y  +  -0.304021 * Z  + -38.214054 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.297279  0.485248  1.921648   [DEG:  -17.0328   27.8027  110.1023 ]
ZXZ: -0.466359  1.879707 -0.511635   [DEG:  -26.7204  107.6992  -29.3145 ]
 
# END of job
