
#######################################################
#                                                     #
#                        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       1.25     1.25
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108       2_C - 109_C       1.25     1.25
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      37_C - 109_C       0.99     1.27
  LCS_AVERAGE:     54.20

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  108
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     L     2_C     L     2_C     29  108  108     31   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P     3_C     P     3_C     29  108  108     34   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D     4_C     D     4_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     5_C     E     5_C     29  108  108     32   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E     6_C     E     6_C     29  108  108     31   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     7_C     K     7_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L     8_C     L     8_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K     9_C     K     9_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    10_C     L    10_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    11_C     L    11_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    12_C     D    12_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    13_C     T    13_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    14_C     L    14_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    15_C     L    15_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    16_C     T    16_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    17_C     M    17_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    18_C     V    18_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    19_C     E    19_C     29  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    20_C     W    20_C     29  108  108     41   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    21_C     V    21_C     29  108  108     31   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    22_C     K    22_C     29  108  108     31   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    23_C     E    23_C     29  108  108     30   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    24_C     L    24_C     29  108  108     20   58   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    25_C     L    25_C     29  108  108     11   56   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    26_C     E    26_C     29  108  108     10   52   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    27_C     E    27_C     29  108  108     10   37   79  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    28_C     S    28_C     29  108  108     11   56   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    29_C     V    29_C     29  108  108      3   26   84  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    30_C     E    30_C     29  108  108      3    4   25   62  100  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    31_C     K    31_C      4  108  108      3    4   25   37   51  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     N    32_C     N    32_C      4  108  108      3   19   33   46   59   69  106  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    33_C     S    33_C     30  108  108      4   18   42  100  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    34_C     R    34_C     38  108  108     19   65   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    35_C     M    35_C     38  108  108     19   34   95  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    36_C     R    36_C     38  108  108     19   30   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     H    37_C     H    37_C     73  108  108     19   65   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    38_C     I    38_C     73  108  108     19   65   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    39_C     R    39_C     73  108  108     19   30   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    40_C     A    40_C     73  108  108     19   30   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    41_C     V    41_C     73  108  108     19   65   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    42_C     M    42_C     73  108  108     19   65   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     W    43_C     W    43_C     73  108  108     19   40   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    44_C     A    44_C     73  108  108     19   55   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    45_C     E    45_C     73  108  108     19   66   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    46_C     Y    46_C     73  108  108     19   66   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    47_C     M    47_C     73  108  108     19   40   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    48_C     L    48_C     73  108  108     19   54   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    49_C     E    49_C     73  108  108     19   65   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    50_C     I    50_C     73  108  108     19   65   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    51_C     A    51_C     73  108  108     19   53   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R    52_C     R    52_C     73  108  108     19   47   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    53_C     S    53_C     73  108  108     19   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    54_C     L    54_C     73  108  108      7   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    55_C     E    55_C     73  108  108     34   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     D    56_C     D    56_C     73  108  108     37   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    57_C     E    57_C     73  108  108     18   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    58_C     K    58_C     73  108  108     37   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    59_C     I    59_C     73  108  108     16   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    60_C     L    60_C     73  108  108     16   53   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    61_C     E    61_C     73  108  108     21   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I    62_C     I    62_C     73  108  108     37   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    63_C     A    63_C     73  108  108     16   53   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    64_C     E    64_C     73  108  108     27   47   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    65_C     K    65_C     73  108  108     27   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    66_C     L    66_C     73  108  108     27   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    67_C     E    67_C     73  108  108     27   50   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    68_C     K    68_C     73  108  108     27   47   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     A    69_C     A    69_C     73  108  108     27   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    70_C     L    70_C     73  108  108     27   47   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     P    71_C     P    71_C     73  108  108      3   65   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    72_C     E    72_C     73  108  108      3   10   74  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    73_C     K    73_C     73  108  108      3    3   75  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     S    74_C     S    74_C     73  108  108      3    3    6   49  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    75_C     K    75_C     73  108  108     40   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    76_C     M    76_C     73  108  108     40   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     F    77_C     F    77_C     73  108  108     24   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     T    78_C     T    78_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    79_C     K    79_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    80_C     E    80_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    81_C     E    81_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     Y    82_C     Y    82_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    83_C     E    83_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    84_C     K    84_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    85_C     L    85_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     M    86_C     M    86_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    87_C     E    87_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    88_C     V    88_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    89_C     L    89_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    90_C     E    90_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    91_C     E    91_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    92_C     L    92_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    93_C     E    93_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    94_C     E    94_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V    95_C     V    95_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     L    96_C     L    96_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    97_C     E    97_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E    98_C     E    98_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K    99_C     K    99_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     K   100_C     K   100_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   101_C     E   101_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   102_C     E   102_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     V   103_C     V   103_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   104_C     E   104_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   105_C     E   105_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     R   106_C     R   106_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     I   107_C     I   107_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     E   108_C     E   108_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_GDT     G   109_C     G   109_C     73  108  108     46   69   98  101  105  106  107  108  108  108  108  108  108  108  108  108  108  108  108  108 
LCS_AVERAGE  LCS_A:  84.73  (  54.20  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     46     69     98    101    105    106    107    108    108    108    108    108    108    108    108    108    108    108    108    108 
GDT PERCENT_AT  42.59  63.89  90.74  93.52  97.22  98.15  99.07 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.56   0.91   0.96   1.05   1.10   1.15   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25
GDT RMS_ALL_AT   1.41   1.31   1.26   1.26   1.27   1.26   1.26   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25

# 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:  D    56_C      D    56_C
#   possible swapping detected:  E    64_C      E    64_C
#   possible swapping detected:  E    67_C      E    67_C
#   possible swapping detected:  F    77_C      F    77_C
#   possible swapping detected:  E    80_C      E    80_C
#   possible swapping detected:  Y    82_C      Y    82_C
#   possible swapping detected:  E    87_C      E    87_C
#   possible swapping detected:  E   102_C      E   102_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C     0.554     0    0.055   0.427     1.641   92.857   87.262
LGA    P     3_C      P     3_C     0.342     0    0.032   0.041     0.558  100.000   98.639
LGA    D     4_C      D     4_C     0.129     0    0.055   0.076     0.485  100.000  100.000
LGA    E     5_C      E     5_C     0.410     0    0.084   0.883     3.567  100.000   82.116
LGA    E     6_C      E     6_C     0.414     0    0.059   0.487     1.281  100.000   93.757
LGA    K     7_C      K     7_C     0.379     0    0.021   0.894     3.288  100.000   81.799
LGA    L     8_C      L     8_C     0.403     0    0.039   0.109     0.698   95.238   95.238
LGA    K     9_C      K     9_C     0.464     0    0.017   0.634     1.911  100.000   91.852
LGA    L    10_C      L    10_C     0.413     0    0.013   1.279     2.648   95.238   85.536
LGA    L    11_C      L    11_C     0.639     0    0.016   0.075     0.749   90.476   92.857
LGA    D    12_C      D    12_C     0.682     0    0.040   0.870     3.685   90.476   78.155
LGA    T    13_C      T    13_C     0.757     0    0.028   0.035     0.805   90.476   90.476
LGA    L    14_C      L    14_C     0.759     0    0.013   0.141     0.998   90.476   91.667
LGA    L    15_C      L    15_C     0.652     0    0.029   1.341     3.215   90.476   80.000
LGA    T    16_C      T    16_C     0.799     0    0.035   0.967     2.105   90.476   82.993
LGA    M    17_C      M    17_C     0.903     0    0.040   0.945     2.442   90.476   85.000
LGA    V    18_C      V    18_C     0.684     0    0.018   0.077     0.783   90.476   90.476
LGA    E    19_C      E    19_C     0.591     0    0.012   0.803     3.493   90.476   80.265
LGA    W    20_C      W    20_C     0.994     0    0.033   1.522     6.867   85.952   53.537
LGA    V    21_C      V    21_C     1.098     0    0.024   0.102     1.496   85.952   84.014
LGA    K    22_C      K    22_C     0.794     0    0.009   0.249     1.342   90.476   88.466
LGA    E    23_C      E    23_C     0.849     0    0.034   0.941     2.829   85.952   76.190
LGA    L    24_C      L    24_C     1.408     0    0.056   0.198     1.892   77.143   76.071
LGA    L    25_C      L    25_C     1.628     0    0.010   1.332     4.640   72.976   63.095
LGA    E    26_C      E    26_C     1.873     0    0.048   0.335     2.417   68.810   72.963
LGA    E    27_C      E    27_C     2.237     0    0.085   0.409     3.353   64.762   60.582
LGA    S    28_C      S    28_C     1.825     0    0.436   0.681     2.765   66.905   70.317
LGA    V    29_C      V    29_C     1.774     0    0.164   1.294     4.398   68.810   66.803
LGA    E    30_C      E    30_C     3.291     0    0.504   0.935     6.947   45.476   34.021
LGA    K    31_C      K    31_C     3.612     0    0.090   0.591     9.720   48.333   28.519
LGA    N    32_C      N    32_C     5.129     0    0.098   1.210    10.991   32.024   17.976
LGA    S    33_C      S    33_C     2.595     0    0.667   0.816     5.042   68.929   56.508
LGA    R    34_C      R    34_C     1.417     0    0.080   0.839     2.290   77.143   70.000
LGA    M    35_C      M    35_C     1.991     0    0.058   1.512     9.477   72.857   48.929
LGA    R    36_C      R    36_C     1.652     0    0.009   0.198     4.224   77.143   62.900
LGA    H    37_C      H    37_C     1.198     0    0.038   0.881     2.138   81.429   78.048
LGA    I    38_C      I    38_C     1.346     0    0.031   0.102     2.117   81.429   75.119
LGA    R    39_C      R    39_C     1.712     0    0.027   1.011     3.138   72.857   68.918
LGA    A    40_C      A    40_C     1.383     0    0.026   0.028     1.506   81.429   79.714
LGA    V    41_C      V    41_C     1.132     0    0.059   0.059     1.453   81.429   81.429
LGA    M    42_C      M    42_C     1.227     0    0.031   0.856     6.251   81.429   61.488
LGA    W    43_C      W    43_C     1.363     0    0.017   0.489     2.430   81.429   78.469
LGA    A    44_C      A    44_C     1.196     0    0.007   0.020     1.211   81.429   81.429
LGA    E    45_C      E    45_C     1.017     0    0.023   0.121     1.489   85.952   83.439
LGA    Y    46_C      Y    46_C     1.055     0    0.037   1.082     6.720   81.429   62.619
LGA    M    47_C      M    47_C     1.406     0    0.028   0.612     1.679   81.429   84.940
LGA    L    48_C      L    48_C     1.339     0    0.008   1.396     4.718   81.429   64.881
LGA    E    49_C      E    49_C     1.072     0    0.014   0.925     2.162   81.429   78.624
LGA    I    50_C      I    50_C     1.070     0    0.051   0.110     1.460   81.429   81.429
LGA    A    51_C      A    51_C     1.384     0    0.061   0.067     1.643   81.429   79.714
LGA    R    52_C      R    52_C     1.409     0    0.015   0.569     3.798   81.429   69.827
LGA    S    53_C      S    53_C     0.826     0    0.036   0.663     2.870   90.476   84.921
LGA    L    54_C      L    54_C     0.799     0    0.033   1.007     3.215   90.476   83.155
LGA    E    55_C      E    55_C     0.257     0    0.072   0.665     2.035  100.000   87.037
LGA    D    56_C      D    56_C     0.476     0    0.082   0.196     0.990   95.238   94.048
LGA    E    57_C      E    57_C     0.963     0    0.088   0.874     2.271   90.476   84.603
LGA    K    58_C      K    58_C     0.546     0    0.060   1.201     5.824   92.857   76.825
LGA    I    59_C      I    59_C     0.844     0    0.016   0.653     1.990   88.214   83.750
LGA    L    60_C      L    60_C     1.207     0    0.037   1.407     4.596   81.429   73.095
LGA    E    61_C      E    61_C     0.828     0    0.013   0.165     1.118   90.476   89.471
LGA    I    62_C      I    62_C     0.603     0    0.030   0.581     2.424   90.476   90.833
LGA    A    63_C      A    63_C     1.203     0    0.010   0.011     1.456   83.690   83.238
LGA    E    64_C      E    64_C     1.486     0    0.011   0.779     4.428   81.429   63.704
LGA    K    65_C      K    65_C     0.962     0    0.018   0.556     2.327   88.214   79.841
LGA    L    66_C      L    66_C     0.893     0    0.016   0.130     0.995   90.476   90.476
LGA    E    67_C      E    67_C     1.266     0    0.012   0.218     2.347   81.429   74.021
LGA    K    68_C      K    68_C     1.296     0    0.027   1.275     6.989   81.429   61.005
LGA    A    69_C      A    69_C     0.892     0    0.143   0.152     0.950   90.476   90.476
LGA    L    70_C      L    70_C     1.283     0    0.051   0.137     2.680   81.429   73.155
LGA    P    71_C      P    71_C     1.280     0    0.097   0.143     1.827   77.143   78.980
LGA    E    72_C      E    72_C     2.422     0    0.668   0.890     4.268   59.881   53.016
LGA    K    73_C      K    73_C     2.036     0    0.433   0.368     9.994   73.452   43.280
LGA    S    74_C      S    74_C     2.536     0    0.317   0.734     5.413   71.071   58.968
LGA    K    75_C      K    75_C     1.115     0    0.635   0.803     4.188   66.071   69.206
LGA    M    76_C      M    76_C     0.832     0    0.721   0.751     3.521   76.429   82.321
LGA    F    77_C      F    77_C     1.035     0    0.070   0.721     3.308   79.286   71.818
LGA    T    78_C      T    78_C     0.837     0    0.026   0.058     1.164   90.476   89.184
LGA    K    79_C      K    79_C     0.701     0    0.009   0.720     2.547   90.476   86.772
LGA    E    80_C      E    80_C     0.769     0    0.050   0.804     1.788   90.476   83.598
LGA    E    81_C      E    81_C     0.747     0    0.051   0.583     2.914   90.476   79.101
LGA    Y    82_C      Y    82_C     0.807     0    0.026   1.297     8.516   90.476   58.095
LGA    E    83_C      E    83_C     0.634     0    0.024   0.060     0.936   92.857   91.534
LGA    K    84_C      K    84_C     0.677     0    0.021   1.096     4.778   90.476   69.683
LGA    L    85_C      L    85_C     0.602     0    0.019   1.296     2.725   90.476   79.940
LGA    M    86_C      M    86_C     0.326     0    0.029   0.841     2.446  100.000   87.798
LGA    E    87_C      E    87_C     0.286     0    0.061   0.796     2.925  100.000   80.741
LGA    V    88_C      V    88_C     0.343     0    0.043   0.116     0.675  100.000   98.639
LGA    L    89_C      L    89_C     0.214     0    0.017   0.152     0.881  100.000   97.619
LGA    E    90_C      E    90_C     0.222     0    0.019   0.874     4.019  100.000   82.698
LGA    E    91_C      E    91_C     0.141     0    0.021   0.159     0.633  100.000   98.942
LGA    L    92_C      L    92_C     0.322     0    0.031   0.115     0.453  100.000  100.000
LGA    E    93_C      E    93_C     0.388     0    0.053   0.190     0.970  100.000   97.884
LGA    E    94_C      E    94_C     0.358     0    0.041   0.098     1.178  100.000   91.693
LGA    V    95_C      V    95_C     0.437     0    0.062   0.061     0.915  100.000   95.918
LGA    L    96_C      L    96_C     0.314     0    0.025   0.095     0.334  100.000  100.000
LGA    E    97_C      E    97_C     0.399     0    0.026   0.160     1.030  100.000   95.820
LGA    E    98_C      E    98_C     0.568     0    0.029   0.111     1.219   97.619   90.635
LGA    K    99_C      K    99_C     0.433     0    0.018   1.008     3.773  100.000   88.571
LGA    K   100_C      K   100_C     0.321     0    0.041   0.164     2.359  100.000   89.947
LGA    E   101_C      E   101_C     0.550     0    0.006   0.130     1.794   97.619   88.677
LGA    E   102_C      E   102_C     0.387     0    0.045   0.817     1.607  100.000   89.788
LGA    V   103_C      V   103_C     0.357     0    0.016   0.053     0.455  100.000  100.000
LGA    E   104_C      E   104_C     0.536     0    0.027   0.341     1.508   92.857   89.577
LGA    E   105_C      E   105_C     0.561     0    0.006   0.108     1.055   90.476   89.471
LGA    R   106_C      R   106_C     0.433     0    0.027   1.287     4.681   95.238   76.883
LGA    I   107_C      I   107_C     0.723     0    0.053   0.143     1.060   90.476   89.345
LGA    E   108_C      E   108_C     1.014     0    0.247   0.316     1.926   81.548   82.540
LGA    G   109_C      G   109_C     0.767     0    0.619   0.619     4.103   68.810   68.810

# 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):     1.251          1.281                  2.128           86.286   79.261

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  110  108    4.0    108    1.25    89.352    95.655     7.993

LGA_LOCAL      RMSD:   1.251  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.251  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   1.251  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.155399 * X  +  -0.000129 * Y  +  -0.987852 * Z  +  18.690741
  Y_new =   0.119740 * X  +  -0.992624 * Y  +   0.018966 * Z  +  -4.755345
  Z_new =  -0.980568 * X  +  -0.121233 * Y  +  -0.154237 * Z  +  11.427472 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.656515  1.373335 -2.475437   [DEG:   37.6155   78.6863 -141.8321 ]
ZXZ: -1.589993  1.725652 -1.693808   [DEG:  -91.0999   98.8726  -97.0480 ]
 
# END of job
