
#######################################################
#                                                     #
#                        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        0.98     1.17
  LCS_AVERAGE:     50.41

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      4    8   95  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      4   85  105  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     54   91  105  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     29   91  105  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     30   91  105  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     29   77  105  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     25   77  105  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     34   88  105  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     44   91  105  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     52   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     46   91  105  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     48   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     52   91  105  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     41   91  105  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     54   91  105  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     51   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     49   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     46   91  105  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     46   91  105  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     41   90  105  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      3   73  103  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     31   88  105  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     46   91  105  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     38   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     49   91  105  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  105  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  105  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     46   91  105  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     54   91  105  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  105  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     25   73  105  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    4   91  106  112  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      9   34   50   70   97  112  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    67_C     D    67_B     58  116  116      9   35   70  100  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      9   50   85  110  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     14   63  102  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     42   88  105  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  105  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     24   79  105  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     25   79  105  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     25   80  105  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     39   88  105  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     46   91  105  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     47   91  105  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  105  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      3   22   90  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      2   60  102  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    5   47   71  111  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     30   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     49   91  105  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     46   91  105  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     25   87  105  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     20   63  102  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     52   91  105  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     25   91  105  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     25   91  105  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     49   91  105  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     29   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     48   91  105  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     34   91  105  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     41   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     52   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     54   91  105  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     49   91  105  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     41   91  105  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     34   91  105  111  113  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_AVERAGE  LCS_A:  83.47  (  50.41  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     54     91    105    111    113    114    115    116    116    116    116    116    116    116    116    116    116    116    116    116 
GDT PERCENT_AT  46.55  78.45  90.52  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   0.56   0.73   0.85   0.94   0.99   1.04   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   1.18   1.17   1.14   1.12   1.12   1.12   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

# 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:  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     2.075     0    0.069   0.336     3.754   72.976   63.197
LGA    K     3_C      K     3_B     1.192     0    0.098   0.581     3.039   86.190   73.598
LGA    S     4_C      S     4_B     0.366     0    0.012   0.058     1.235   90.595   92.143
LGA    K     5_C      K     5_B     1.329     0    0.011   1.029     4.341   83.690   67.778
LGA    M     6_C      M     6_B     1.289     0    0.015   0.848     2.254   79.286   77.202
LGA    L     7_C      L     7_B     1.539     0    0.069   0.134     2.118   72.976   76.131
LGA    S     8_C      S     8_B     1.668     0    0.050   0.156     2.232   79.286   75.794
LGA    N     9_C      N     9_B     1.323     0    0.056   0.329     2.173   79.286   77.202
LGA    I    10_C      I    10_B     0.819     0    0.039   0.713     2.223   88.214   83.929
LGA    V    11_C      V    11_B     0.590     0    0.050   0.053     0.768   92.857   91.837
LGA    I    12_C      I    12_B     0.189     0    0.008   0.097     0.620  100.000   98.810
LGA    Q    13_C      Q    13_B     0.252     0    0.045   0.966     2.749   97.619   92.116
LGA    E    14_C      E    14_B     0.423     0    0.020   0.612     2.328  100.000   88.836
LGA    V    15_C      V    15_B     0.432     0    0.025   0.075     0.749   95.238   97.279
LGA    K    16_C      K    16_B     0.388     0    0.079   0.528     2.343   97.619   93.968
LGA    F    17_C      F    17_B     0.170     0    0.032   0.086     0.427  100.000  100.000
LGA    A    18_C      A    18_B     0.203     0    0.029   0.044     0.357  100.000  100.000
LGA    I    19_C      I    19_B     0.162     0    0.011   0.062     0.486  100.000  100.000
LGA    E    20_C      E    20_B     0.269     0    0.042   0.139     1.026   97.619   92.646
LGA    D    21_C      D    21_B     0.627     0    0.057   0.288     1.400   92.857   88.274
LGA    Y    22_C      Y    22_B     0.577     0    0.029   0.087     0.812   90.476   90.476
LGA    C    23_C      C    23_B     0.388     0    0.012   0.717     2.546  100.000   92.857
LGA    A    24_C      A    24_B     0.227     0    0.037   0.040     0.576   97.619   96.190
LGA    I    25_C      I    25_B     0.274     0    0.019   0.065     0.959  100.000   96.429
LGA    L    26_C      L    26_B     0.098     0    0.015   0.126     0.589  100.000   98.810
LGA    S    27_C      S    27_B     0.167     0    0.030   0.082     0.311  100.000  100.000
LGA    F    28_C      F    28_B     0.132     0    0.094   0.111     0.503   97.619   99.134
LGA    A    29_C      A    29_B     0.487     0    0.023   0.037     0.595  100.000   98.095
LGA    S    30_C      S    30_B     0.580     0    0.023   0.030     0.626   90.476   90.476
LGA    D    31_C      D    31_B     0.648     0    0.014   0.129     0.880   90.476   90.476
LGA    S    32_C      S    32_B     0.930     0    0.045   0.631     3.231   85.952   80.714
LGA    Y    33_C      Y    33_B     1.277     0    0.043   0.371     3.130   85.952   71.389
LGA    E    34_C      E    34_B     0.868     0    0.026   0.254     1.014   90.476   89.471
LGA    V    35_C      V    35_B     0.998     0    0.124   0.126     1.818   90.595   85.442
LGA    P    36_C      P    36_B     0.732     0    0.016   0.072     1.084   90.476   87.891
LGA    E    37_C      E    37_B     0.674     0    0.026   0.738     3.126   90.476   74.868
LGA    Q    38_C      Q    38_B     0.492     0    0.022   0.246     1.410   97.619   92.646
LGA    Y    39_C      Y    39_B     0.295     0    0.016   0.112     1.099  100.000   93.730
LGA    F    40_C      F    40_B     0.341     0    0.049   0.119     0.922  100.000   93.939
LGA    I    41_C      I    41_B     0.447     0    0.050   0.117     0.715   97.619   97.619
LGA    I    42_C      I    42_B     0.208     0    0.051   0.102     0.395  100.000  100.000
LGA    T    43_C      T    43_B     0.330     0    0.060   0.877     2.352  100.000   91.088
LGA    R    44_C      R    44_B     0.246     0    0.012   0.202     1.212  100.000   94.892
LGA    S    45_C      S    45_B     0.335     0    0.042   0.099     0.399  100.000  100.000
LGA    T    46_C      T    46_B     0.393     0    0.051   0.065     0.583   95.238   97.279
LGA    T    47_C      T    47_B     0.808     0    0.020   0.044     1.050   90.476   89.184
LGA    E    48_C      E    48_B     0.801     0    0.033   0.131     1.309   90.476   86.455
LGA    R    49_C      R    49_B     0.925     0    0.074   0.387     1.489   85.952   86.364
LGA    S    50_C      S    50_B     1.545     0    0.258   0.636     3.193   71.071   67.857
LGA    G    51_C      G    51_B     1.064     0    0.033   0.033     1.210   85.952   85.952
LGA    G    52_C      G    52_B     0.806     0    0.030   0.030     1.008   88.214   88.214
LGA    I    53_C      I    53_B     1.083     0    0.073   0.215     2.611   85.952   79.583
LGA    P    54_C      P    54_B     0.445     0    0.029   0.198     1.085   97.619   94.626
LGA    E    55_C      E    55_B     0.514     0    0.063   0.552     1.221   97.619   90.635
LGA    G    56_C      G    56_B     0.078     0    0.012   0.012     0.117  100.000  100.000
LGA    D    57_C      D    57_B     0.121     0    0.049   0.232     0.764  100.000   98.810
LGA    I    58_C      I    58_B     0.480     0    0.095   1.000     2.190   95.238   84.226
LGA    Y    59_C      Y    59_B     0.644     0    0.047   0.070     0.807   92.857   92.063
LGA    L    60_C      L    60_B     0.297     0    0.103   0.152     0.525  100.000   98.810
LGA    E    61_C      E    61_B     0.420     0    0.045   0.327     2.226   97.619   85.979
LGA    S    62_C      S    62_B     0.647     0    0.056   0.082     1.308   90.595   89.048
LGA    N    63_C      N    63_B     1.240     0    0.107   0.159     1.746   81.548   84.881
LGA    L    64_C      L    64_B     1.764     0    0.666   1.457     4.730   65.119   65.000
LGA    F    65_C      F    65_B     3.368     0    0.068   1.229    12.534   44.048   18.268
LGA    L    66_C      L    66_B     4.411     0    0.666   1.371     9.577   42.619   25.000
LGA    D    67_C      D    67_B     3.264     0    0.527   1.314     7.383   45.119   38.155
LGA    F    68_C      F    68_B     2.642     0    0.131   1.379     4.233   60.952   62.771
LGA    N    69_C      N    69_B     1.835     0    0.035   0.082     2.192   75.119   76.131
LGA    P    70_C      P    70_B     0.976     0    0.023   0.237     1.485   88.214   85.306
LGA    Y    71_C      Y    71_B     0.582     0    0.016   0.132     0.971   90.476   92.063
LGA    G    72_C      G    72_B     1.439     0    0.036   0.036     1.977   77.143   77.143
LGA    L    73_C      L    73_B     1.383     0    0.086   1.341     2.725   81.429   77.560
LGA    S    74_C      S    74_B     1.373     0    0.084   0.111     1.496   81.429   81.429
LGA    G    75_C      G    75_B     0.969     0    0.068   0.068     1.081   88.214   88.214
LGA    Y    76_C      Y    76_B     0.609     0    0.025   0.140     1.003   90.476   89.722
LGA    L    77_C      L    77_B     0.356     0    0.037   0.108     1.157  100.000   95.298
LGA    L    78_C      L    78_B     0.604     0    0.259   1.014     2.633   90.595   84.167
LGA    S    79_C      S    79_B     2.228     0    0.677   0.807     4.626   56.548   65.159
LGA    E    80_C      E    80_B     1.729     0    0.026   1.022     8.021   56.786   39.630
LGA    P    81_C      P    81_B     3.602     0    0.103   0.456     6.409   54.048   41.565
LGA    N    82_C      N    82_B     0.841     0    0.111   0.667     2.952   90.833   85.417
LGA    C    83_C      C    83_B     0.487     0    0.017   0.124     1.407   97.619   93.730
LGA    V    84_C      V    84_B     0.320     0    0.027   0.084     0.387  100.000  100.000
LGA    D    85_C      D    85_B     0.395     0    0.034   0.201     0.986  100.000   96.429
LGA    L    86_C      L    86_B     0.552     0    0.017   0.058     0.708   92.857   92.857
LGA    L    87_C      L    87_B     0.579     0    0.027   0.122     0.941   90.476   91.667
LGA    I    88_C      I    88_B     1.245     0    0.019   0.250     1.866   83.690   81.488
LGA    E    89_C      E    89_B     1.881     0    0.212   0.748     9.176   65.476   36.878
LGA    P    90_C      P    90_B     1.396     0    0.608   0.638     3.764   69.762   68.776
LGA    N    91_C      N    91_B     0.952     0    0.016   0.883     3.188   90.476   80.000
LGA    N    92_C      N    92_B     0.937     0    0.025   0.190     1.663   90.476   83.810
LGA    Y    93_C      Y    93_B     0.691     0    0.041   0.089     1.052   88.214   90.556
LGA    V    94_C      V    94_B     0.853     0    0.018   0.109     1.467   90.476   86.599
LGA    R    95_C      R    95_B     0.685     0    0.040   0.126     1.488   90.476   88.831
LGA    L    96_C      L    96_B     0.529     0    0.035   0.173     0.738   92.857   91.667
LGA    R    97_C      R    97_B     0.586     0    0.013   0.993     5.664   95.238   72.554
LGA    L    98_C      L    98_B     0.495     0    0.035   0.061     0.678  100.000   95.238
LGA    I    99_C      I    99_B     0.649     0    0.029   0.388     1.393   90.476   90.536
LGA    E   100_C      E   100_B     1.094     0    0.052   0.597     1.890   83.690   81.481
LGA    K   101_C      K   101_B     1.016     0    0.112   0.842     3.958   81.548   71.958
LGA    I   102_C      I   102_B     0.688     0    0.022   0.061     0.782   90.476   91.667
LGA    D   103_C      D   103_B     0.703     0    0.028   0.073     0.717   92.857   91.667
LGA    I   104_C      I   104_B     0.545     0    0.025   0.670     1.689   90.476   83.869
LGA    L   105_C      L   105_B     1.030     0    0.034   0.125     2.130   88.214   80.595
LGA    E   106_C      E   106_B     0.776     0    0.053   0.517     2.882   95.238   86.878
LGA    V   107_C      V   107_B     0.162     0    0.017   0.033     0.363  100.000  100.000
LGA    E   108_C      E   108_B     0.410     0    0.034   0.172     1.399  100.000   93.704
LGA    N   109_C      N   109_B     0.571     0    0.032   0.116     1.027   92.857   90.536
LGA    H   110_C      H   110_B     0.515     0    0.034   1.149     2.435   92.857   84.571
LGA    L   111_C      L   111_B     0.482     0    0.059   0.055     0.555   97.619   98.810
LGA    K   112_C      K   112_B     0.460     0    0.093   0.583     1.937   95.238   90.794
LGA    F   113_C      F   113_B     0.435     0    0.016   0.096     0.620  100.000   96.537
LGA    L   114_C      L   114_B     0.345     0    0.047   0.049     0.617   97.619   97.619
LGA    F   115_C      F   115_B     0.617     0    0.087   0.082     1.101   92.857   88.874
LGA    D   116_C      D   116_B     0.842     0    0.113   0.683     4.118   88.214   72.321
LGA    N   117_C      N   117_B     0.799     0    0.637   1.111     4.603   88.810   79.107

# 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):     1.115          1.185                  1.828           89.008   84.896

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0    116    1.11    93.534    96.964     9.551

LGA_LOCAL      RMSD:   1.115  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.115  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   1.115  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.675191 * X  +  -0.511277 * Y  +   0.531708 * Z  + -21.136539
  Y_new =  -0.522950 * X  +   0.176587 * Y  +   0.833871 * Z  + -16.795567
  Z_new =  -0.520232 * X  +  -0.841078 * Y  +  -0.148142 * Z  +  -3.881885 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.659011  0.547122 -1.745142   [DEG:  -37.7585   31.3478  -99.9892 ]
ZXZ:  2.573957  1.719486 -2.587660   [DEG:  147.4769   98.5193 -148.2620 ]
 
# END of job
