
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  109 (  875),  selected  109 , name one
# Molecule2: number of CA atoms  109 (  875),  selected  109 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    59      47_A - 105_A       0.99     1.40
  LONGEST_CONTINUOUS_SEGMENT:    59      48_A - 106_A       1.00     1.42
  LONGEST_CONTINUOUS_SEGMENT:    59      49_A - 107_A       0.99     1.42
  LONGEST_CONTINUOUS_SEGMENT:    59      50_A - 108_A       1.00     1.45
  LCS_AVERAGE:     48.77

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  109
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     1_A     G     1_A     41  109  109     23   72   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     46  109  109     30   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A     46  109  109      7   75   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A     46  109  109     46   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A     46  109  109     21   80   92  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A     46  109  109     46   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A     46  109  109     46   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A     46  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A     46  109  109     23   78   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A     46  109  109     12   76   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     46  109  109     10   57   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     46  109  109      4   54   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     46  109  109      5   34   85  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     46  109  109      7   27   75  100  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     46  109  109      9   49   91  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     46  109  109      9   51   89  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     46  109  109      9   15   47   91  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     46  109  109      9   32   87  100  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     46  109  109     43   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     46  109  109     11   72   92  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A     46  109  109     20   78   92  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A     59  109  109     46   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A     59  109  109     12   24   92  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A     59  109  109     12   24   59  100  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A     59  109  109     25   81   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A     59  109  109      3    4    6   41   69   94   99  106  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A     59  109  109      3   42   81  100  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A     59  109  109     36   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A     59  109  109     48   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A     59  109  109     49   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A     59  109  109     47   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     59  109  109     47   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     59  109  109     56   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     59  109  109      5   73   92  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A     59  109  109     34   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     59  109  109     49   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     59  109  109     49   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     59  109  109     49   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     59  109  109     57   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     59  109  109     58   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A     59  109  109     48   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A     59  109  109     48   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A     59  109  109     53   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A     59  109  109     35   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A     59  109  109     35   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A     59  109  109     31   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A     59  109  109     31   83   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A     59  109  109     31   78   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A     59  109  109     31   76   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A     59  109  109     31   76   93  101  105  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A     59  109  109      3   45   77   94   99  106  107  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A     25  109  109      3    3    4    5    6    6    7  100  106  108  109  109  109  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  82.92  (  48.77  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     58     83     93    101    105    106    107    107    108    108    109    109    109    109    109    109    109    109    109    109 
GDT PERCENT_AT  53.21  76.15  85.32  92.66  96.33  97.25  98.17  98.17  99.08  99.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.52   0.73   0.89   1.00   1.04   1.10   1.10   1.21   1.21   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37
GDT RMS_ALL_AT   1.46   1.41   1.38   1.38   1.39   1.40   1.38   1.38   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37

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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     1.761     0    0.056   0.056     1.761   77.143   77.143
LGA    P     2_A      P     2_A     1.196     0    0.014   0.141     1.755   85.952   81.565
LGA    I     3_A      I     3_A     0.506     0    0.069   0.907     2.737   95.238   83.274
LGA    I     4_A      I     4_A     0.568     0    0.049   0.872     2.390   92.857   85.119
LGA    E     5_A      E     5_A     0.554     0    0.015   0.954     5.068   95.238   75.026
LGA    N     6_A      N     6_A     0.238     0    0.021   0.092     0.654  100.000   98.810
LGA    C     7_A      C     7_A     0.189     0    0.019   0.045     0.221  100.000  100.000
LGA    A     8_A      A     8_A     0.277     0    0.053   0.065     0.284  100.000  100.000
LGA    A     9_A      A     9_A     0.166     0    0.057   0.055     0.575   97.619   98.095
LGA    F    10_A      F    10_A     0.154     0    0.012   0.043     0.463  100.000  100.000
LGA    I    11_A      I    11_A     0.141     0    0.015   0.077     0.471  100.000  100.000
LGA    E    12_A      E    12_A     0.413     0    0.023   0.068     0.854   97.619   95.767
LGA    K    13_A      K    13_A     0.668     0    0.097   1.334     6.615   88.214   68.942
LGA    T    14_A      T    14_A     1.226     0    0.088   0.948     2.635   83.690   76.803
LGA    M    15_A      M    15_A     0.714     0    0.037   0.282     0.804   90.476   90.476
LGA    S    16_A      S    16_A     1.212     0    0.078   0.144     1.875   83.690   80.079
LGA    K    17_A      K    17_A     0.625     0    0.015   0.991     3.714   90.476   85.556
LGA    Y    18_A      Y    18_A     0.594     0    0.035   0.069     0.872   90.476   90.476
LGA    A    19_A      A    19_A     0.495     0    0.042   0.049     0.621   97.619   96.190
LGA    I    20_A      I    20_A     0.556     0    0.030   0.029     0.842   90.476   90.476
LGA    T    21_A      T    21_A     0.634     0    0.017   0.032     0.828   90.476   90.476
LGA    L    22_A      L    22_A     0.698     0    0.032   0.082     1.092   90.476   89.345
LGA    S    23_A      S    23_A     0.671     0    0.060   0.082     0.942   90.476   90.476
LGA    D    24_A      D    24_A     0.829     0    0.073   0.122     1.601   90.476   86.012
LGA    G    25_A      G    25_A     0.578     0    0.046   0.046     0.697   90.476   90.476
LGA    T    26_A      T    26_A     0.744     0    0.017   0.056     1.046   90.476   89.184
LGA    I    27_A      I    27_A     0.805     0    0.031   0.094     1.173   88.214   89.345
LGA    L    28_A      L    28_A     0.821     0    0.012   0.052     0.895   90.476   90.476
LGA    K    29_A      K    29_A     0.685     0    0.029   0.449     2.356   90.476   85.661
LGA    S    30_A      S    30_A     0.905     0    0.023   0.037     1.095   88.214   88.968
LGA    T    31_A      T    31_A     0.969     0    0.068   0.098     1.138   90.476   89.184
LGA    I    32_A      I    32_A     0.688     0    0.063   0.107     1.048   88.214   91.726
LGA    K    33_A      K    33_A     1.012     0    0.079   0.704     5.930   92.976   70.899
LGA    N    34_A      N    34_A     1.143     0    0.044   0.221     2.854   81.548   73.214
LGA    E    35_A      E    35_A     1.266     0    0.020   0.666     1.930   79.405   78.624
LGA    T    36_A      T    36_A     1.482     0    0.070   0.083     1.875   77.143   77.755
LGA    L    37_A      L    37_A     1.622     0    0.047   1.387     2.987   72.976   72.083
LGA    K    38_A      K    38_A     2.251     0    0.047   0.814     7.772   62.976   43.757
LGA    K    39_A      K    39_A     2.671     0    0.068   0.165     3.025   57.262   57.196
LGA    T    40_A      T    40_A     1.931     0    0.102   1.103     2.357   70.833   69.388
LGA    F    41_A      F    41_A     2.237     0    0.058   0.504     2.786   62.857   61.991
LGA    P    42_A      P    42_A     3.336     0    0.012   0.274     5.019   53.571   45.850
LGA    I    43_A      I    43_A     2.391     0    0.012   0.069     3.666   69.048   60.476
LGA    L    44_A      L    44_A     0.621     0    0.029   0.073     1.272   90.595   91.726
LGA    K    45_A      K    45_A     1.684     0    0.023   0.780     3.025   77.143   67.778
LGA    N    46_A      N    46_A     1.437     0    0.008   0.847     5.448   86.190   64.524
LGA    L    47_A      L    47_A     0.749     0    0.024   0.074     2.529   88.214   78.631
LGA    L    48_A      L    48_A     1.803     0    0.058   0.110     2.759   71.310   71.071
LGA    K    49_A      K    49_A     2.545     0    0.054   0.708     6.807   59.167   45.661
LGA    D    50_A      D    50_A     1.330     0    0.054   0.230     4.152   70.952   60.893
LGA    Q    51_A      Q    51_A     5.405     0    0.328   0.810    12.010   32.262   15.450
LGA    I    52_A      I    52_A     2.293     0    0.166   1.167     3.089   69.048   64.107
LGA    P    53_A      P    53_A     0.789     0    0.050   0.078     1.468   88.214   86.599
LGA    T    54_A      T    54_A     0.230     0    0.016   0.037     0.490  100.000  100.000
LGA    G    55_A      G    55_A     0.757     0    0.058   0.058     0.881   90.476   90.476
LGA    S    56_A      S    56_A     0.771     0    0.042   0.708     2.853   92.857   86.508
LGA    S    57_A      S    57_A     0.651     0    0.053   0.067     0.825   90.476   90.476
LGA    F    58_A      F    58_A     0.436     0    0.051   0.131     0.936  100.000   93.939
LGA    F    59_A      F    59_A     0.563     0    0.081   0.120     0.774   90.476   90.476
LGA    K    60_A      K    60_A     0.501     0    0.036   0.701     3.457   92.857   86.032
LGA    L    61_A      L    61_A     0.333     0    0.023   0.189     1.201   95.238   91.726
LGA    P    62_A      P    62_A     0.427     0    0.091   0.097     0.509   95.238   97.279
LGA    V    63_A      V    63_A     0.104     0    0.039   0.057     0.449  100.000  100.000
LGA    V    64_A      V    64_A     0.248     0    0.036   0.131     0.552  100.000   98.639
LGA    F    65_A      F    65_A     0.197     0    0.011   0.072     0.373  100.000  100.000
LGA    F    66_A      F    66_A     0.354     0    0.035   0.051     0.492  100.000  100.000
LGA    R    67_A      R    67_A     0.267     0    0.036   0.441     2.708  100.000   89.481
LGA    V    68_A      V    68_A     0.410     0    0.062   1.213     2.744  100.000   88.639
LGA    T    69_A      T    69_A     0.446     0    0.029   0.081     0.478  100.000  100.000
LGA    D    70_A      D    70_A     0.854     0    0.077   0.197     1.617   88.214   84.881
LGA    N    71_A      N    71_A     0.811     0    0.183   1.180     4.689   90.476   74.583
LGA    V    72_A      V    72_A     0.578     0    0.026   0.028     0.654   95.238   93.197
LGA    I    73_A      I    73_A     0.465     0    0.015   0.638     1.835   97.619   94.226
LGA    V    74_A      V    74_A     0.396     0    0.014   0.072     0.739  100.000   98.639
LGA    I    75_A      I    75_A     0.307     0    0.020   0.067     0.348  100.000  100.000
LGA    L    76_A      L    76_A     0.382     0    0.038   0.056     0.440  100.000  100.000
LGA    L    77_A      L    77_A     0.213     0    0.112   0.096     0.610   97.619   98.810
LGA    T    78_A      T    78_A     0.519     0    0.010   0.052     0.930   92.857   94.558
LGA    N    79_A      N    79_A     1.484     0    0.045   1.167     6.057   81.429   60.536
LGA    E    80_A      E    80_A     0.766     0    0.024   0.556     2.695   85.952   77.090
LGA    K    81_A      K    81_A     0.852     0    0.043   0.963     6.343   90.476   70.847
LGA    E    82_A      E    82_A     0.615     0    0.024   0.181     0.730   92.857   93.651
LGA    N    83_A      N    83_A     0.658     0    0.035   0.292     1.456   90.476   90.536
LGA    I    84_A      I    84_A     0.362     0    0.047   0.679     3.432  100.000   90.179
LGA    I    85_A      I    85_A     0.246     0    0.011   0.018     0.396  100.000  100.000
LGA    L    86_A      L    86_A     0.618     0    0.057   0.068     0.795   92.857   92.857
LGA    S    87_A      S    87_A     0.720     0    0.012   0.022     0.840   90.476   90.476
LGA    M    88_A      M    88_A     0.604     0    0.025   0.102     0.684   90.476   91.667
LGA    F    89_A      F    89_A     0.622     0    0.031   0.095     0.819   92.857   91.342
LGA    E    90_A      E    90_A     0.718     0    0.065   0.509     2.919   92.857   84.868
LGA    L    91_A      L    91_A     0.572     0    0.015   1.408     3.478   95.238   81.607
LGA    F    92_A      F    92_A     0.302     0    0.012   0.050     0.419  100.000  100.000
LGA    S    93_A      S    93_A     0.372     0    0.057   0.074     0.601  100.000   96.825
LGA    T    94_A      T    94_A     0.279     0    0.048   0.102     0.468  100.000  100.000
LGA    Q    95_A      Q    95_A     0.239     0    0.031   0.991     3.765  100.000   86.772
LGA    F    96_A      F    96_A     0.121     0    0.037   0.083     0.244  100.000  100.000
LGA    A    97_A      A    97_A     0.272     0    0.035   0.039     0.485  100.000  100.000
LGA    E    98_A      E    98_A     0.511     0    0.030   0.743     3.419   92.857   82.222
LGA    K    99_A      K    99_A     0.564     0    0.036   0.322     1.428   90.476   89.471
LGA    L   100_A      L   100_A     0.428     0    0.018   0.028     0.748   95.238   97.619
LGA    A   101_A      A   101_A     0.931     0    0.011   0.021     1.224   85.952   85.048
LGA    L   102_A      L   102_A     1.140     0    0.035   0.063     1.426   81.429   81.429
LGA    E   103_A      E   103_A     1.102     0    0.016   0.744     1.891   83.690   83.492
LGA    Y   104_A      Y   104_A     1.108     0    0.037   0.062     1.208   81.429   85.198
LGA    P   105_A      P   105_A     1.540     0    0.010   0.044     1.769   75.000   74.082
LGA    R   106_A      R   106_A     1.834     0    0.112   1.196     8.520   66.905   46.450
LGA    T   107_A      T   107_A     1.983     0    0.027   0.035     2.497   68.810   71.769
LGA    Y   108_A      Y   108_A     3.602     0    0.506   1.265     9.885   43.452   25.833
LGA    E   109_A      E   109_A     7.070     0    0.653   1.134    15.236   10.476    4.709

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      109     436    436  100.00     875    875  100.00               109
SUMMARY(RMSD_GDC):     1.367          1.364                  2.171           87.438   83.229

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0    107    1.10    91.743    95.811     8.924

LGA_LOCAL      RMSD:   1.099  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.383  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   1.367  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.276852 * X  +   0.325444 * Y  +  -0.904124 * Z  +  12.822490
  Y_new =  -0.432249 * X  +   0.882510 * Y  +   0.185305 * Z  +   7.221826
  Z_new =   0.858204 * X  +   0.339504 * Y  +   0.384997 * Z  +  13.187119 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.001135 -1.031761  0.722689   [DEG:  -57.3608  -59.1155   41.4070 ]
ZXZ: -1.772952  1.175592  1.194090   [DEG: -101.5827   67.3564   68.4163 ]
 
# END of job
