
#######################################################
#                                                     #
#                        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  121 (  938),  selected  103 , name one
# Molecule2: number of CA atoms  103 (  817),  selected  103 , 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:   103      13_A - 115_A       0.79     0.79
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       0.79     0.79
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       0.79     0.79
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  103
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    13_A     G    13_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A    103  103  103     51   89  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A    103  103  103     32   86  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A    103  103  103     32   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A    103  103  103      4   70  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A    103  103  103      5   86  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A    103  103  103     61   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A    103  103  103     24   87  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A    103  103  103      5   34   90  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A    103  103  103     23   87  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A    103  103  103     17   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A    103  103  103     27   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A    103  103  103      9   89  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A    103  103  103      5   21   93  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A    103  103  103     70   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A    103  103  103     70   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A    103  103  103     70   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A    103  103  103     54   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A    103  103  103     19   88  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A    103  103  103      8   88  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A    103  103  103     57   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A    103  103  103     27   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A    103  103  103     61   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A    103  103  103     66   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A    103  103  103     61   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A    103  103  103     52   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A    103  103  103      5   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A    103  103  103      3    3    5    5   57  101  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A    103  103  103     10   88  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A    103  103  103     27   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A    103  103  103     71   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A    103  103  103     60   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     71     90    100    102    102    102    103    103    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  68.93  87.38  97.09  99.03  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.44   0.59   0.65   0.65   0.65   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79
GDT RMS_ALL_AT   0.81   0.81   0.80   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79   0.79

# Checking swapping
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  Y    79_A      Y    79_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     0.727     0    0.098   0.098     1.248   88.214   88.214
LGA    W    14_A      W    14_A     0.330     0    0.020   0.049     0.685  100.000   96.599
LGA    Q    15_A      Q    15_A     0.294     0    0.016   0.846     3.713  100.000   83.386
LGA    K    16_A      K    16_A     0.482     0    0.051   0.793     3.990  100.000   79.418
LGA    K    17_A      K    17_A     0.505     0    0.078   0.608     2.548   92.857   87.090
LGA    T    18_A      T    18_A     1.279     0    0.072   1.186     4.307   77.143   67.959
LGA    P    19_A      P    19_A     1.528     0    0.026   0.059     2.154   77.143   72.993
LGA    V    20_A      V    20_A     0.881     0    0.032   0.043     1.052   85.952   87.891
LGA    D    21_A      D    21_A     1.347     0    0.063   0.194     2.361   81.429   76.131
LGA    N    22_A      N    22_A     1.314     0    0.165   0.709     1.850   81.429   79.286
LGA    E    23_A      E    23_A     1.097     0    0.037   0.619     3.039   85.952   71.905
LGA    Q    24_A      Q    24_A     0.625     0    0.060   0.214     0.814   90.476   92.593
LGA    Y    25_A      Y    25_A     0.470     0    0.037   0.092     0.972   97.619   92.857
LGA    K    26_A      K    26_A     0.315     0    0.040   0.824     2.929  100.000   84.392
LGA    E    27_A      E    27_A     0.442     0    0.051   1.308     5.459  100.000   75.132
LGA    L    28_A      L    28_A     0.284     0    0.022   1.242     2.701  100.000   90.238
LGA    A    29_A      A    29_A     0.270     0    0.010   0.017     0.319  100.000  100.000
LGA    H    30_A      H    30_A     0.398     0    0.026   0.105     0.486  100.000  100.000
LGA    F    31_A      F    31_A     0.322     0    0.029   0.119     0.472  100.000  100.000
LGA    A    32_A      A    32_A     0.363     0    0.017   0.022     0.373  100.000  100.000
LGA    V    33_A      V    33_A     0.195     0    0.048   0.971     2.550  100.000   91.224
LGA    S    34_A      S    34_A     0.389     0    0.008   0.052     0.491  100.000  100.000
LGA    K    35_A      K    35_A     0.373     0    0.026   0.115     1.528  100.000   91.746
LGA    Q    36_A      Q    36_A     0.654     0    0.033   1.078     3.202   92.857   86.032
LGA    V    37_A      V    37_A     1.143     0    0.053   0.092     1.863   79.405   81.565
LGA    E    38_A      E    38_A     2.001     0    0.064   1.447     6.225   70.833   56.085
LGA    G    39_A      G    39_A     1.278     0    0.087   0.087     1.516   83.810   83.810
LGA    R    40_A      R    40_A     0.796     0    0.091   0.765     2.200   92.857   83.333
LGA    E    41_A      E    41_A     0.350     0    0.023   0.264     0.841  100.000   94.709
LGA    F    42_A      F    42_A     0.326     0    0.033   0.056     0.477  100.000  100.000
LGA    F    43_A      F    43_A     0.415     0    0.009   0.133     0.563  100.000   95.671
LGA    D    44_A      D    44_A     0.180     0    0.017   0.075     0.574  100.000   96.429
LGA    T    45_A      T    45_A     0.061     0    0.049   0.131     0.515  100.000   97.279
LGA    V    46_A      V    46_A     0.242     0    0.019   1.345     2.690  100.000   88.844
LGA    L    47_A      L    47_A     0.240     0    0.018   1.245     2.552  100.000   90.238
LGA    E    48_A      E    48_A     0.438     0    0.049   0.595     1.694  100.000   90.741
LGA    V    49_A      V    49_A     0.287     0    0.016   1.338     2.547  100.000   87.755
LGA    T    50_A      T    50_A     0.264     0    0.055   0.065     0.303  100.000  100.000
LGA    D    51_A      D    51_A     0.467     0    0.009   0.947     4.562  100.000   81.667
LGA    V    52_A      V    52_A     0.500     0    0.020   1.345     2.855   95.238   84.762
LGA    E    53_A      E    53_A     0.209     0    0.008   1.006     3.545  100.000   89.577
LGA    T    54_A      T    54_A     0.138     0    0.018   0.039     0.296  100.000  100.000
LGA    Q    55_A      Q    55_A     0.409     0    0.059   0.521     2.295  100.000   91.852
LGA    V    56_A      V    56_A     0.763     0    0.046   1.333     3.299   92.857   81.088
LGA    V    57_A      V    57_A     1.056     0    0.332   1.203     4.294   68.452   70.544
LGA    A    58_A      A    58_A     1.928     0    0.133   0.129     2.729   75.000   71.429
LGA    G    59_A      G    59_A     0.478     0    0.033   0.033     1.061   92.976   92.976
LGA    T    60_A      T    60_A     0.637     0    0.029   0.078     0.864   90.476   90.476
LGA    N    61_A      N    61_A     0.672     0    0.048   0.408     2.168   92.857   88.512
LGA    Y    62_A      Y    62_A     0.536     0    0.023   0.081     0.695   90.476   93.651
LGA    R    63_A      R    63_A     0.390     0    0.040   0.988     2.587  100.000   92.900
LGA    I    64_A      I    64_A     0.213     0    0.038   0.075     0.384  100.000  100.000
LGA    T    65_A      T    65_A     0.186     0    0.018   0.038     0.349  100.000  100.000
LGA    F    66_A      F    66_A     0.207     0    0.016   0.091     0.598  100.000   98.268
LGA    K    67_A      K    67_A     0.218     0    0.019   0.187     0.818  100.000   98.942
LGA    I    68_A      I    68_A     0.162     0    0.039   0.083     0.310  100.000  100.000
LGA    A    69_A      A    69_A     0.289     0    0.024   0.037     0.361  100.000  100.000
LGA    E    70_A      E    70_A     0.100     0    0.013   0.471     1.320  100.000   95.873
LGA    S    71_A      S    71_A     0.186     0    0.028   0.090     0.318  100.000  100.000
LGA    T    72_A      T    72_A     0.313     0    0.047   0.053     0.615  100.000   95.918
LGA    C    73_A      C    73_A     0.399     0    0.019   0.102     0.862  100.000   96.825
LGA    R    74_A      R    74_A     0.352     0    0.007   0.197     0.689  100.000   97.403
LGA    V    75_A      V    75_A     0.345     0    0.021   0.050     0.523  100.000   98.639
LGA    T    76_A      T    76_A     0.259     0    0.063   0.174     0.949  100.000   97.279
LGA    E    77_A      E    77_A     0.254     0    0.050   0.655     1.859  100.000   94.921
LGA    T    78_A      T    78_A     0.431     0    0.022   0.067     0.651  100.000   98.639
LGA    Y    79_A      Y    79_A     0.308     0    0.028   0.150     0.456  100.000  100.000
LGA    S    80_A      S    80_A     0.322     0    0.038   0.079     0.592  100.000   98.413
LGA    K    81_A      K    81_A     0.699     0    0.044   0.639     3.552   90.595   75.873
LGA    E    82_A      E    82_A     1.268     0    0.062   1.300     4.921   81.548   66.296
LGA    T    83_A      T    83_A     1.138     0    0.030   0.099     1.687   88.214   84.082
LGA    C    84_A      C    84_A     0.594     0    0.033   0.061     0.666   95.238   93.651
LGA    L    85_A      L    85_A     0.328     0    0.043   1.244     2.834  100.000   89.048
LGA    P    86_A      P    86_A     0.123     0    0.028   0.099     0.268  100.000  100.000
LGA    K    87_A      K    87_A     0.192     0    0.022   0.613     2.162  100.000   91.111
LGA    T    88_A      T    88_A     0.268     0    0.038   0.155     0.635   97.619   98.639
LGA    R    89_A      R    89_A     0.875     6    0.075   0.077     1.456   95.238   42.035
LGA    D    90_A      D    90_A     0.105     0    0.029   0.223     1.021  100.000   95.298
LGA    V    91_A      V    91_A     0.128     0    0.023   1.348     2.619  100.000   88.844
LGA    K    92_A      K    92_A     0.190     0    0.041   0.128     0.697  100.000   97.884
LGA    S    93_A      S    93_A     0.219     0    0.059   0.627     1.795  100.000   93.889
LGA    T    94_A      T    94_A     0.120     0    0.063   0.111     0.366  100.000  100.000
LGA    C    95_A      C    95_A     0.121     0    0.017   0.020     0.144  100.000  100.000
LGA    T    96_A      T    96_A     0.257     0    0.009   0.031     0.344  100.000  100.000
LGA    A    97_A      A    97_A     0.360     0    0.012   0.027     0.404  100.000  100.000
LGA    V    98_A      V    98_A     0.754     0    0.035   1.340     3.107   90.476   81.020
LGA    I    99_A      I    99_A     0.722     0    0.022   0.456     1.026   90.476   89.345
LGA    T   100_A      T   100_A     0.438     0    0.015   0.037     0.452  100.000  100.000
LGA    E   101_A      E   101_A     0.524     0    0.020   0.105     0.653   92.857   93.651
LGA    P   102_A      P   102_A     0.845     0    0.082   0.334     1.124   90.476   91.905
LGA    L   103_A      L   103_A     1.232     0    0.085   0.582     3.174   83.690   69.702
LGA    N   104_A      N   104_A     1.135     0    0.198   1.305     6.258   70.000   48.810
LGA    N   105_A      N   105_A     4.431     0    0.651   1.105    10.950   52.143   27.917
LGA    E   106_A      E   106_A     1.197     0    0.188   1.115     6.689   79.524   59.312
LGA    R   107_A      R   107_A     0.757     0    0.087   1.151     3.822   90.476   78.312
LGA    F   108_A      F   108_A     0.447     0    0.014   0.048     0.488  100.000  100.000
LGA    V   109_A      V   109_A     0.501     0    0.035   1.343     2.905   92.857   84.762
LGA    H   110_A      H   110_A     0.499     0    0.047   1.130     2.363   95.238   84.571
LGA    S   111_A      S   111_A     0.422     0    0.011   0.018     0.546  100.000   96.825
LGA    F   112_A      F   112_A     0.195     0    0.063   0.131     0.387  100.000  100.000
LGA    T   113_A      T   113_A     0.259     0    0.049   1.127     2.583  100.000   88.844
LGA    C   114_A      C   114_A     0.123     0    0.053   0.058     0.248  100.000  100.000
LGA    G   115_A      G   115_A     0.683     0    0.079   0.079     4.178   67.738   67.738

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      103     412    412  100.00     817    817  100.00               103
SUMMARY(RMSD_GDC):     0.786          0.815                  1.450           94.376   88.558

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    103    0.79    96.602    98.595    11.626

LGA_LOCAL      RMSD:   0.786  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.786  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   0.786  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.584339 * X  +  -0.679635 * Y  +   0.443446 * Z  + -28.498627
  Y_new =   0.748217 * X  +   0.662782 * Y  +   0.029850 * Z  +  26.716608
  Z_new =  -0.314195 * X  +   0.314351 * Y  +   0.895804 * Z  +   0.319399 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.907764  0.319609  0.337490   [DEG:   52.0111   18.3122   19.3367 ]
ZXZ:  1.638010  0.460559 -0.785150   [DEG:   93.8510   26.3881  -44.9858 ]
 
# END of job
