
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       1.11     1.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       1.11     1.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    65       2_B - 66_B        0.99     1.18
  LCS_AVERAGE:     50.07

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B     65  116  116      5   36   99  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     3_C     K     3_B     65  116  116     35   88  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     4_C     S     4_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     5_C     K     5_B     65  116  116     33   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     M     6_C     M     6_B     65  116  116     33   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L     7_C     L     7_B     65  116  116     33   80  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     8_C     S     8_B     65  116  116     30   74  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N     9_C     N     9_B     65  116  116     33   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    10_C     I    10_B     65  116  116     43   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    11_C     V    11_B     65  116  116     48   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    12_C     I    12_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    13_C     Q    13_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    14_C     E    14_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    15_C     V    15_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K    16_C     K    16_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    17_C     F    17_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    18_C     A    18_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    19_C     I    19_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    20_C     E    20_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    21_C     D    21_B     65  116  116     39   90  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    22_C     Y    22_B     65  116  116     43   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    23_C     C    23_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    24_C     A    24_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    25_C     I    25_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    26_C     L    26_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    27_C     S    27_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    28_C     F    28_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    29_C     A    29_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    30_C     S    30_B     65  116  116     48   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    31_C     D    31_B     65  116  116     38   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    32_C     S    32_B     65  116  116     32   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    33_C     Y    33_B     65  116  116     32   87  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    34_C     E    34_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    35_C     V    35_B     65  116  116     47   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    36_C     P    36_B     65  116  116     49   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    37_C     E    37_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    38_C     Q    38_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    39_C     Y    39_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    40_C     F    40_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    41_C     I    41_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    42_C     I    42_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    43_C     T    43_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    44_C     R    44_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    45_C     S    45_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    46_C     T    46_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    47_C     T    47_B     65  116  116     41   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    48_C     E    48_B     65  116  116     43   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    49_C     R    49_B     65  116  116     43   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    50_C     S    50_B     65  116  116     20   83  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    51_C     G    51_B     65  116  116      3   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    52_C     G    52_B     65  116  116     36   90  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    53_C     I    53_B     65  116  116     39   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    54_C     P    54_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    55_C     E    55_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    56_C     G    56_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    57_C     D    57_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    58_C     I    58_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    59_C     Y    59_B     65  116  116     46   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    60_C     L    60_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    61_C     E    61_B     65  116  116     44   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    62_C     S    62_B     65  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    63_C     N    63_B     65  116  116     41   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    64_C     L    64_B     65  116  116     24   77  103  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    65_C     F    65_B     65  116  116      3    4   39   71   98  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    66_C     L    66_B     65  116  116      7   22   50   70   99  111  114  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    67_C     D    67_B     12  116  116      6   34   67  102  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    68_C     F    68_B     50  116  116      8   46   84  109  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    69_C     N    69_B     50  116  116     12   67  103  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    70_C     P    70_B     50  116  116     37   88  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    71_C     Y    71_B     50  116  116     46   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    72_C     G    72_B     50  116  116     29   71  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    73_C     L    73_B     50  116  116     30   73  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    74_C     S    74_B     50  116  116     30   75  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    75_C     G    75_B     50  116  116     30   88  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    76_C     Y    76_B     50  116  116     41   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    77_C     L    77_B     50  116  116     46   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    78_C     L    78_B     50  116  116     44   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    79_C     S    79_B     50  116  116      5    8   97  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    80_C     E    80_B     50  116  116     16   61  103  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    81_C     P    81_B     50  116  116      3    6   49   93  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    82_C     N    82_B     50  116  116     38   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    83_C     C    83_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    84_C     V    84_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    85_C     D    85_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    86_C     L    86_B     50  116  116     43   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    87_C     L    87_B     50  116  116     43   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    88_C     I    88_B     50  116  116     30   88  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    89_C     E    89_B     50  116  116     30   83  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    90_C     P    90_B     50  116  116     36   89  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    91_C     N    91_B     50  116  116     46   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    92_C     N    92_B     50  116  116     30   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    93_C     Y    93_B     50  116  116     48   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    94_C     V    94_B     50  116  116     33   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    95_C     R    95_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    96_C     L    96_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    97_C     R    97_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    98_C     L    98_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    99_C     I    99_B     50  116  116     49   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   100_C     E   100_B     50  116  116     31   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   101_C     K   101_B     50  116  116     48   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   102_C     I   102_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   103_C     D   103_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   104_C     I   104_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   105_C     L   105_B     50  116  116     48   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   106_C     E   106_B     50  116  116     49   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V   107_C     V   107_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   108_C     E   108_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   109_C     N   109_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     H   110_C     H   110_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   111_C     L   111_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   112_C     K   112_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   113_C     F   113_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   114_C     L   114_B     50  116  116     50   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   115_C     F   115_B     50  116  116     43   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   116_C     D   116_B     50  116  116     35   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   117_C     N   117_B     50  116  116     47   91  106  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_AVERAGE  LCS_A:  83.36  (  50.07  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     50     91    106    111    113    114    115    116    116    116    116    116    116    116    116    116    116    116    116    116 
GDT PERCENT_AT  43.10  78.45  91.38  95.69  97.41  98.28  99.14 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.58   0.74   0.84   0.93   0.98   1.03   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11
GDT RMS_ALL_AT   1.17   1.16   1.13   1.12   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11

# Checking swapping
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  Y    59_C      Y    59_B
#   possible swapping detected:  E    61_C      E    61_B
#   possible swapping detected:  F    65_C      F    65_B
#   possible swapping detected:  D    67_C      D    67_B
#   possible swapping detected:  F    68_C      F    68_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  E   106_C      E   106_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B     2.015     0    0.071   0.094     2.887   70.952   66.122
LGA    K     3_C      K     3_B     1.012     0    0.092   0.568     2.347   88.333   80.847
LGA    S     4_C      S     4_B     0.438     0    0.013   0.096     1.004   90.595   92.143
LGA    K     5_C      K     5_B     1.142     0    0.006   1.049     3.966   85.952   72.169
LGA    M     6_C      M     6_B     1.178     0    0.007   0.887     2.364   81.429   78.274
LGA    L     7_C      L     7_B     1.393     0    0.053   0.089     1.937   77.143   79.286
LGA    S     8_C      S     8_B     1.635     0    0.056   0.656     2.584   79.286   74.524
LGA    N     9_C      N     9_B     1.257     0    0.042   0.094     1.474   81.429   81.429
LGA    I    10_C      I    10_B     0.834     0    0.040   0.684     1.818   90.476   86.071
LGA    V    11_C      V    11_B     0.636     0    0.047   0.051     0.839   92.857   91.837
LGA    I    12_C      I    12_B     0.200     0    0.005   0.098     0.685  100.000   98.810
LGA    Q    13_C      Q    13_B     0.369     0    0.044   0.947     2.849   97.619   90.000
LGA    E    14_C      E    14_B     0.462     0    0.021   0.650     2.588  100.000   87.989
LGA    V    15_C      V    15_B     0.450     0    0.037   0.112     0.837   92.857   94.558
LGA    K    16_C      K    16_B     0.392     0    0.068   0.533     2.322   97.619   93.968
LGA    F    17_C      F    17_B     0.209     0    0.021   0.083     0.474  100.000  100.000
LGA    A    18_C      A    18_B     0.393     0    0.026   0.039     0.598  100.000   98.095
LGA    I    19_C      I    19_B     0.355     0    0.015   0.072     0.751  100.000   95.238
LGA    E    20_C      E    20_B     0.308     0    0.075   0.145     1.583   97.619   88.730
LGA    D    21_C      D    21_B     1.034     0    0.028   0.325     2.192   85.952   79.464
LGA    Y    22_C      Y    22_B     0.790     0    0.038   0.097     1.135   90.476   84.444
LGA    C    23_C      C    23_B     0.441     0    0.006   0.754     2.739   97.619   91.270
LGA    A    24_C      A    24_B     0.312     0    0.029   0.032     0.652   97.619   96.190
LGA    I    25_C      I    25_B     0.240     0    0.016   0.057     0.930  100.000   96.429
LGA    L    26_C      L    26_B     0.065     0    0.018   0.129     0.591  100.000   98.810
LGA    S    27_C      S    27_B     0.162     0    0.030   0.106     0.521  100.000   98.413
LGA    F    28_C      F    28_B     0.124     0    0.100   0.115     0.533   97.619   99.134
LGA    A    29_C      A    29_B     0.485     0    0.026   0.035     0.544   97.619   96.190
LGA    S    30_C      S    30_B     0.738     0    0.019   0.031     0.880   90.476   90.476
LGA    D    31_C      D    31_B     0.903     0    0.013   0.139     1.150   90.476   87.083
LGA    S    32_C      S    32_B     1.108     0    0.044   0.632     3.606   81.429   75.079
LGA    Y    33_C      Y    33_B     1.434     0    0.045   0.375     3.416   83.690   68.016
LGA    E    34_C      E    34_B     0.717     0    0.038   0.655     2.693   90.476   81.958
LGA    V    35_C      V    35_B     0.904     0    0.136   0.136     1.711   92.857   86.735
LGA    P    36_C      P    36_B     0.822     0    0.030   0.297     0.935   90.476   91.837
LGA    E    37_C      E    37_B     0.729     0    0.036   0.715     3.268   90.476   74.074
LGA    Q    38_C      Q    38_B     0.530     0    0.019   0.068     1.211   95.238   89.577
LGA    Y    39_C      Y    39_B     0.269     0    0.010   0.095     1.008  100.000   94.484
LGA    F    40_C      F    40_B     0.339     0    0.050   0.131     1.295  100.000   90.649
LGA    I    41_C      I    41_B     0.387     0    0.057   0.119     0.568   97.619   97.619
LGA    I    42_C      I    42_B     0.140     0    0.059   0.099     0.385  100.000  100.000
LGA    T    43_C      T    43_B     0.207     0    0.058   0.892     2.323  100.000   91.088
LGA    R    44_C      R    44_B     0.352     0    0.014   0.208     1.195  100.000   94.026
LGA    S    45_C      S    45_B     0.423     0    0.042   0.094     0.476  100.000  100.000
LGA    T    46_C      T    46_B     0.517     0    0.050   0.065     0.720   90.476   93.197
LGA    T    47_C      T    47_B     0.990     0    0.018   0.053     1.198   85.952   84.014
LGA    E    48_C      E    48_B     0.947     0    0.054   0.188     1.519   90.476   85.556
LGA    R    49_C      R    49_B     0.928     0    0.036   0.294     2.057   90.476   80.866
LGA    S    50_C      S    50_B     1.264     0    0.031   0.498     3.655   83.690   75.159
LGA    G    51_C      G    51_B     0.974     0    0.087   0.087     0.974   90.476   90.476
LGA    G    52_C      G    52_B     1.118     0    0.066   0.066     1.122   83.690   83.690
LGA    I    53_C      I    53_B     1.088     0    0.040   0.202     2.422   85.952   80.536
LGA    P    54_C      P    54_B     0.514     0    0.018   0.131     0.899   92.857   93.197
LGA    E    55_C      E    55_B     0.595     0    0.073   0.543     1.183   97.619   90.635
LGA    G    56_C      G    56_B     0.122     0    0.019   0.019     0.166  100.000  100.000
LGA    D    57_C      D    57_B     0.219     0    0.049   0.222     0.786   97.619   96.429
LGA    I    58_C      I    58_B     0.407     0    0.093   1.006     2.181  100.000   86.607
LGA    Y    59_C      Y    59_B     0.476     0    0.062   0.091     0.742   97.619   93.651
LGA    L    60_C      L    60_B     0.138     0    0.095   0.108     0.581  100.000   98.810
LGA    E    61_C      E    61_B     0.387     0    0.044   0.349     2.254   97.619   85.979
LGA    S    62_C      S    62_B     0.663     0    0.054   0.077     1.312   90.595   89.048
LGA    N    63_C      N    63_B     1.217     0    0.115   0.153     1.656   81.548   84.881
LGA    L    64_C      L    64_B     1.700     0    0.661   1.401     4.686   69.286   63.929
LGA    F    65_C      F    65_B     3.430     0    0.028   1.240    12.535   44.048   18.268
LGA    L    66_C      L    66_B     4.493     0    0.670   1.383     9.508   42.619   24.821
LGA    D    67_C      D    67_B     3.330     0    0.543   1.165     6.553   43.690   36.071
LGA    F    68_C      F    68_B     2.715     0    0.136   1.222     3.591   60.952   64.026
LGA    N    69_C      N    69_B     1.894     0    0.034   0.103     2.249   75.119   75.060
LGA    P    70_C      P    70_B     0.978     0    0.013   0.222     1.569   90.595   84.218
LGA    Y    71_C      Y    71_B     0.557     0    0.015   0.140     1.076   88.214   92.897
LGA    G    72_C      G    72_B     1.527     0    0.022   0.022     1.997   75.000   75.000
LGA    L    73_C      L    73_B     1.477     0    0.091   1.345     2.723   79.286   76.488
LGA    S    74_C      S    74_B     1.425     0    0.054   0.063     1.500   81.429   81.429
LGA    G    75_C      G    75_B     1.038     0    0.066   0.066     1.146   85.952   85.952
LGA    Y    76_C      Y    76_B     0.671     0    0.024   0.144     1.055   90.476   89.722
LGA    L    77_C      L    77_B     0.440     0    0.038   0.110     1.245  100.000   95.298
LGA    L    78_C      L    78_B     0.595     0    0.229   0.959     2.716   88.214   82.976
LGA    S    79_C      S    79_B     2.085     0    0.668   0.803     4.547   56.548   63.571
LGA    E    80_C      E    80_B     1.749     0    0.044   1.010     8.181   56.786   38.571
LGA    P    81_C      P    81_B     3.385     0    0.091   0.463     6.114   55.714   43.333
LGA    N    82_C      N    82_B     0.800     0    0.109   0.676     3.005   90.833   84.524
LGA    C    83_C      C    83_B     0.508     0    0.021   0.112     1.291   95.238   92.143
LGA    V    84_C      V    84_B     0.293     0    0.031   0.070     0.336  100.000  100.000
LGA    D    85_C      D    85_B     0.346     0    0.026   0.199     1.064  100.000   96.488
LGA    L    86_C      L    86_B     0.575     0    0.020   0.046     0.796   92.857   91.667
LGA    L    87_C      L    87_B     0.560     0    0.011   0.095     1.009   88.214   91.726
LGA    I    88_C      I    88_B     1.171     0    0.038   0.308     2.180   85.952   81.607
LGA    E    89_C      E    89_B     1.302     0    0.049   0.188     1.905   77.143   74.762
LGA    P    90_C      P    90_B     1.033     0    0.035   0.044     1.408   85.952   85.306
LGA    N    91_C      N    91_B     0.388     0    0.068   0.859     3.490   97.619   84.762
LGA    N    92_C      N    92_B     0.818     0    0.010   0.223     1.493   90.476   85.952
LGA    Y    93_C      Y    93_B     0.646     0    0.048   0.083     1.013   88.214   91.310
LGA    V    94_C      V    94_B     0.817     0    0.021   0.113     1.513   90.476   85.374
LGA    R    95_C      R    95_B     0.689     0    0.045   0.105     1.279   90.476   89.654
LGA    L    96_C      L    96_B     0.554     0    0.040   0.185     0.764   92.857   91.667
LGA    R    97_C      R    97_B     0.582     0    0.014   0.922     6.033   95.238   68.918
LGA    L    98_C      L    98_B     0.469     0    0.030   0.067     0.532  100.000   96.429
LGA    I    99_C      I    99_B     0.571     0    0.029   0.386     1.469   90.476   91.726
LGA    E   100_C      E   100_B     1.009     0    0.038   0.607     2.074   83.690   79.630
LGA    K   101_C      K   101_B     0.956     0    0.111   0.837     3.926   83.810   72.963
LGA    I   102_C      I   102_B     0.682     0    0.021   0.096     0.747   90.476   91.667
LGA    D   103_C      D   103_B     0.735     0    0.027   0.083     0.766   92.857   91.667
LGA    I   104_C      I   104_B     0.462     0    0.022   0.656     1.579   92.857   86.131
LGA    L   105_C      L   105_B     0.994     0    0.036   0.113     2.034   90.476   81.726
LGA    E   106_C      E   106_B     0.823     0    0.073   0.457     2.683   92.857   85.820
LGA    V   107_C      V   107_B     0.226     0    0.019   0.039     0.445  100.000  100.000
LGA    E   108_C      E   108_B     0.404     0    0.035   0.162     1.271  100.000   93.757
LGA    N   109_C      N   109_B     0.632     0    0.022   0.089     1.014   92.857   90.536
LGA    H   110_C      H   110_B     0.537     0    0.034   0.102     0.723   90.476   93.333
LGA    L   111_C      L   111_B     0.481     0    0.056   0.054     0.563   95.238   97.619
LGA    K   112_C      K   112_B     0.504     0    0.104   0.602     1.886   92.857   87.619
LGA    F   113_C      F   113_B     0.540     0    0.029   0.126     0.636   90.476   91.342
LGA    L   114_C      L   114_B     0.383     0    0.039   0.047     0.619   97.619   97.619
LGA    F   115_C      F   115_B     0.674     0    0.113   0.116     1.123   92.857   88.874
LGA    D   116_C      D   116_B     1.095     0    0.105   0.797     4.854   83.690   64.940
LGA    N   117_C      N   117_B     0.970     0    0.541   1.174     5.350   84.048   71.726

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):     1.108          1.156                  1.762           89.087   84.814

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0    116    1.11    93.534    97.028     9.603

LGA_LOCAL      RMSD:   1.108  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.108  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   1.108  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.691536 * X  +   0.158215 * Y  +   0.704802 * Z  + -19.176561
  Y_new =  -0.678968 * X  +   0.475386 * Y  +   0.559473 * Z  + -16.235556
  Z_new =  -0.246536 * X  +  -0.865434 * Y  +   0.436170 * Z  +  -4.237437 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.776228  0.249104 -1.103962   [DEG:  -44.4746   14.2726  -63.2524 ]
ZXZ:  2.241746  1.119459 -2.864074   [DEG:  128.4426   64.1403 -164.0993 ]
 
# END of job
