
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , 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:   104      17_A - 120_A       1.07     1.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       1.07     1.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71      17_A - 87_A        0.99     1.10
  LCS_AVERAGE:     60.20

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A     71  104  104     36   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    18_A     E    18_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    19_A     E    19_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    20_A     M    20_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    21_A     N    21_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    22_A     K    22_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    23_A     V    23_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    24_A     H    24_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    25_A     N    25_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    26_A     I    26_A     71  104  104     44   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    27_A     K    27_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    28_A     C    28_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    29_A     H    29_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    30_A     F    30_A     71  104  104     30   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    31_A     D    31_A     71  104  104     17   69   89  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    32_A     N    32_A     71  104  104      4   41   84  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    33_A     C    33_A     71  104  104     26   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    34_A     N    34_A     71  104  104      3   20   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    35_A     R    35_A     71  104  104     20   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    36_A     K    36_A     71  104  104     24   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    37_A     I    37_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    38_A     H    38_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     W    39_A     W    39_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    40_A     K    40_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    41_A     I    41_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    42_A     R    42_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    43_A     Y    43_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    44_A     G    44_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    45_A     K    45_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    46_A     L    46_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    47_A     R    47_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    48_A     L    48_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    49_A     V    49_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    50_A     D    50_A     71  104  104     46   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    51_A     H    51_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    52_A     A    52_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    53_A     L    53_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    54_A     S    54_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    55_A     H    55_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    56_A     Q    56_A     71  104  104     44   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    57_A     E    57_A     71  104  104     36   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    58_A     E    58_A     71  104  104      7   60   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    59_A     K    59_A     71  104  104     30   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    60_A     S    60_A     71  104  104     19   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    61_A     I    61_A     71  104  104     34   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    62_A     D    62_A     71  104  104     25   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    63_A     C    63_A     71  104  104     25   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    64_A     Q    64_A     71  104  104      8   42   91  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    65_A     K    65_A     71  104  104     25   71   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    66_A     C    66_A     71  104  104     32   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    67_A     E    67_A     71  104  104     34   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    68_A     Y    68_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    69_A     S    69_A     71  104  104     34   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    70_A     C    70_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    71_A     Q    71_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    72_A     T    72_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    73_A     T    73_A     71  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    74_A     R    74_A     71  104  104     25   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    75_A     Q    75_A     71  104  104     25   72   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    76_A     M    76_A     71  104  104     32   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    77_A     R    77_A     71  104  104     25   72   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    78_A     Y    78_A     71  104  104     25   71   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    79_A     H    79_A     71  104  104     25   72   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    80_A     Y    80_A     71  104  104     25   71   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    81_A     K    81_A     71  104  104     25   64   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    82_A     K    82_A     71  104  104     25   58   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    83_A     I    83_A     71  104  104     25   71   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    84_A     H    84_A     71  104  104     25   69   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    85_A     A    85_A     71  104  104     25   43   91  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    86_A     N    86_A     71  104  104      7   39   82  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    87_A     L    87_A     71  104  104      7   39   89  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    88_A     K    88_A     67  104  104      7   39   91  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    89_A     M    89_A     67  104  104     10   57   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    90_A     E    90_A     67  104  104     12   59   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    91_A     G    91_A     67  104  104      4   67   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    92_A     F    92_A     67  104  104     37   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    93_A     G    93_A     67  104  104     17   70   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    94_A     I    94_A     67  104  104      4   67   89  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    95_A     L    95_A     67  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    96_A     N    96_A     67  104  104     44   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    97_A     I    97_A     67  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     P    98_A     P    98_A     67  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    99_A     L    99_A     67  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q   100_A     Q   100_A     66  104  104      3    9   58  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N   101_A     N   101_A     30  104  104      4    9   37   94  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T   102_A     T   102_A     30  104  104     16   63   90  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   103_A     K   103_A     30  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   104_A     F   104_A     30  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S   105_A     S   105_A     30  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   106_A     D   106_A     30  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V   107_A     V   107_A     30  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     W   108_A     W   108_A     30  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N   109_A     N   109_A     30  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   110_A     K   110_A     30  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C   111_A     C   111_A     30  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   112_A     F   112_A     30  104  104     47   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   113_A     G   113_A     30  104  104     15   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   114_A     D   114_A     30  104  104     17   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q   115_A     Q   115_A     30  104  104     24   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L   116_A     L   116_A     30  104  104     15   72   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   117_A     K   117_A     30  104  104      9   72   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T   118_A     T   118_A     30  104  104      9   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I   119_A     I   119_A     30  104  104     16   73   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   120_A     G   120_A     30  104  104      7   67   93  100  103  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_AVERAGE  LCS_A:  86.73  (  60.20  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     47     73     93    100    103    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  45.19  70.19  89.42  96.15  99.04 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.59   0.86   0.96   1.03   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07
GDT RMS_ALL_AT   1.45   1.28   1.08   1.08   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07   1.07

# Checking swapping
#   possible swapping detected:  F    30_A      F    30_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  F   104_A      F   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     1.397     4    0.052   0.058     1.743   83.690   45.291
LGA    E    18_A      E    18_A     0.858     4    0.053   0.055     1.089   88.214   49.259
LGA    E    19_A      E    19_A     0.351     4    0.175   0.184     0.799   97.619   53.439
LGA    M    20_A      M    20_A     0.358     0    0.027   0.722     2.545   97.619   91.131
LGA    N    21_A      N    21_A     0.487     0    0.077   0.900     2.837  100.000   86.667
LGA    K    22_A      K    22_A     0.327     0    0.051   0.355     1.704  100.000   92.804
LGA    V    23_A      V    23_A     0.277     0    0.024   0.086     0.544  100.000   98.639
LGA    H    24_A      H    24_A     0.226     0    0.053   0.147     0.804   97.619   97.143
LGA    N    25_A      N    25_A     0.766     0    0.120   0.135     1.695   88.214   84.881
LGA    I    26_A      I    26_A     0.692     0    0.043   0.114     0.955   90.476   90.476
LGA    K    27_A      K    27_A     0.538     0    0.052   0.824     4.542   90.476   72.275
LGA    C    28_A      C    28_A     0.830     0    0.113   0.218     1.601   83.810   84.524
LGA    H    29_A      H    29_A     1.180     0    0.019   1.127     2.768   83.690   78.190
LGA    F    30_A      F    30_A     1.400     0    0.022   0.040     1.710   77.143   75.974
LGA    D    31_A      D    31_A     1.762     0    0.034   0.406     3.495   72.857   67.976
LGA    N    32_A      N    32_A     1.945     0    0.113   0.330     2.812   75.000   69.940
LGA    C    33_A      C    33_A     1.445     0    0.520   0.546     3.831   67.619   72.222
LGA    N    34_A      N    34_A     1.156     0    0.031   0.102     2.042   85.952   77.381
LGA    R    35_A      R    35_A     0.695     0    0.103   1.410     6.876   92.857   63.290
LGA    K    36_A      K    36_A     0.731     0    0.023   0.727     1.779   90.476   84.550
LGA    I    37_A      I    37_A     0.718     0    0.073   0.656     2.507   92.857   87.500
LGA    H    38_A      H    38_A     0.473     0    0.125   0.160     1.782   90.595   86.143
LGA    W    39_A      W    39_A     0.325     0    0.099   0.154     0.643   97.619   96.599
LGA    K    40_A      K    40_A     0.557     0    0.031   0.155     0.983   92.857   91.534
LGA    I    41_A      I    41_A     0.598     0    0.022   0.054     0.649   90.476   90.476
LGA    R    42_A      R    42_A     0.773     0    0.055   0.578     3.721   88.214   69.827
LGA    Y    43_A      Y    43_A     0.778     0    0.064   0.153     1.807   90.476   82.302
LGA    G    44_A      G    44_A     0.749     0    0.030   0.030     0.777   92.857   92.857
LGA    K    45_A      K    45_A     0.623     0    0.028   0.734     2.735   90.476   86.772
LGA    L    46_A      L    46_A     0.863     0    0.038   0.113     1.576   90.476   86.012
LGA    R    47_A      R    47_A     0.888     0    0.054   0.966     3.605   90.476   75.238
LGA    L    48_A      L    48_A     0.484     0    0.023   0.091     0.914   97.619   95.238
LGA    V    49_A      V    49_A     0.624     0    0.032   0.043     0.858   90.476   90.476
LGA    D    50_A      D    50_A     0.908     0    0.018   0.156     1.667   90.476   83.810
LGA    H    51_A      H    51_A     0.492     0    0.055   0.235     1.347   92.857   87.810
LGA    A    52_A      A    52_A     0.546     0    0.010   0.012     0.665   95.238   94.286
LGA    L    53_A      L    53_A     0.548     0    0.031   0.070     1.065   92.857   90.536
LGA    S    54_A      S    54_A     0.705     0    0.036   0.071     0.980   90.476   90.476
LGA    H    55_A      H    55_A     0.477     0    0.012   0.150     1.239   97.619   90.619
LGA    Q    56_A      Q    56_A     0.528     0    0.118   0.853     3.472   97.619   89.259
LGA    E    57_A      E    57_A     0.944     4    0.109   0.129     1.323   85.952   47.249
LGA    E    58_A      E    58_A     1.409     4    0.098   0.136     1.942   81.429   44.286
LGA    K    59_A      K    59_A     1.194     0    0.150   0.547     2.121   79.286   81.640
LGA    S    60_A      S    60_A     1.265     0    0.019   0.174     2.054   81.429   77.222
LGA    I    61_A      I    61_A     0.803     0    0.054   0.654     2.049   90.476   89.643
LGA    D    62_A      D    62_A     1.375     0    0.052   0.112     2.155   81.429   76.131
LGA    C    63_A      C    63_A     0.884     0    0.045   0.041     1.461   85.952   89.048
LGA    Q    64_A      Q    64_A     1.739     0    0.026   0.946     2.510   75.000   73.968
LGA    K    65_A      K    65_A     1.065     0    0.131   0.236     3.563   85.952   76.561
LGA    C    66_A      C    66_A     0.852     0    0.083   0.121     1.137   88.214   90.556
LGA    E    67_A      E    67_A     1.130     4    0.117   0.107     1.851   81.548   45.291
LGA    Y    68_A      Y    68_A     0.941     0    0.068   0.127     1.101   85.952   88.968
LGA    S    69_A      S    69_A     1.134     0    0.056   0.083     1.668   81.429   78.571
LGA    C    70_A      C    70_A     0.894     0    0.023   0.077     0.968   90.476   92.063
LGA    Q    71_A      Q    71_A     0.936     0    0.016   0.292     1.724   85.952   86.508
LGA    T    72_A      T    72_A     1.042     0    0.014   0.084     1.215   85.952   84.014
LGA    T    73_A      T    73_A     0.598     0    0.065   0.119     0.954   95.238   94.558
LGA    R    74_A      R    74_A     0.571     0    0.024   1.597     6.277   90.476   66.710
LGA    Q    75_A      Q    75_A     0.744     0    0.012   0.134     1.713   90.476   85.503
LGA    M    76_A      M    76_A     0.212     0    0.042   0.136     0.453  100.000  100.000
LGA    R    77_A      R    77_A     0.560     0    0.040   1.264     7.194   92.857   64.242
LGA    Y    78_A      Y    78_A     0.995     0    0.031   0.177     1.372   88.214   83.690
LGA    H    79_A      H    79_A     0.604     0    0.018   0.140     0.792   90.476   96.190
LGA    Y    80_A      Y    80_A     0.889     0    0.033   0.078     1.246   85.952   86.706
LGA    K    81_A      K    81_A     1.440     0    0.032   0.911     2.436   79.286   76.720
LGA    K    82_A      K    82_A     1.453     0    0.030   0.723     4.613   79.286   64.603
LGA    I    83_A      I    83_A     1.051     0    0.015   0.039     1.171   81.429   85.952
LGA    H    84_A      H    84_A     1.238     0    0.079   0.140     1.694   79.286   85.095
LGA    A    85_A      A    85_A     1.878     0    0.027   0.025     2.447   68.810   69.619
LGA    N    86_A      N    86_A     2.379     3    0.085   0.088     2.699   64.881   39.583
LGA    L    87_A      L    87_A     2.090     0    0.033   1.177     4.554   68.810   60.952
LGA    K    88_A      K    88_A     1.969     0    0.022   0.674     5.976   75.000   60.476
LGA    M    89_A      M    89_A     1.258     0    0.144   0.855     2.470   77.143   73.988
LGA    E    90_A      E    90_A     1.344     0    0.084   0.623     2.631   85.952   75.132
LGA    G    91_A      G    91_A     1.176     0    0.191   0.191     1.176   85.952   85.952
LGA    F    92_A      F    92_A     0.696     0    0.063   0.089     1.113   85.952   91.429
LGA    G    93_A      G    93_A     1.376     0    0.015   0.015     1.406   81.429   81.429
LGA    I    94_A      I    94_A     1.704     0    0.081   1.293     3.708   75.000   67.262
LGA    L    95_A      L    95_A     0.852     0    0.071   0.074     1.470   88.214   85.952
LGA    N    96_A      N    96_A     0.506     0    0.036   1.042     2.633   90.476   85.298
LGA    I    97_A      I    97_A     1.103     0    0.008   0.075     1.194   83.690   83.690
LGA    P    98_A      P    98_A     1.212     0    0.122   0.153     1.450   85.952   84.014
LGA    L    99_A      L    99_A     0.853     0    0.145   0.148     1.103   83.690   87.083
LGA    Q   100_A      Q   100_A     2.395     0    0.420   0.473     5.021   68.810   50.847
LGA    N   101_A      N   101_A     3.069     0    0.177   1.240     4.361   57.381   51.250
LGA    T   102_A      T   102_A     1.667     0    0.049   1.027     4.037   77.143   66.939
LGA    K   103_A      K   103_A     0.201     0    0.050   0.966     2.679   97.619   89.206
LGA    F   104_A      F   104_A     0.518     0    0.032   0.066     0.867   92.857   91.342
LGA    S   105_A      S   105_A     0.697     0    0.031   0.105     1.407   90.476   88.968
LGA    D   106_A      D   106_A     0.565     0    0.038   0.165     1.312   92.857   88.274
LGA    V   107_A      V   107_A     0.314     0    0.052   0.963     2.182  100.000   89.932
LGA    W   108_A      W   108_A     0.349     0    0.036   0.089     0.517   97.619   98.639
LGA    N   109_A      N   109_A     0.806     0    0.027   0.753     4.185   88.214   73.452
LGA    K   110_A      K   110_A     0.877     0    0.015   1.222     5.946   90.476   66.667
LGA    C   111_A      C   111_A     0.762     0    0.049   0.075     0.809   90.476   90.476
LGA    F   112_A      F   112_A     0.766     0    0.020   0.059     0.983   90.476   90.476
LGA    G   113_A      G   113_A     0.917     0    0.027   0.027     1.036   88.214   88.214
LGA    D   114_A      D   114_A     0.667     3    0.149   0.158     0.897   90.476   57.738
LGA    Q   115_A      Q   115_A     0.618     0    0.069   0.593     2.569   90.476   85.767
LGA    L   116_A      L   116_A     0.867     0    0.060   1.028     2.872   90.476   81.845
LGA    K   117_A      K   117_A     0.935     0    0.034   0.798     4.219   90.476   73.810
LGA    T   118_A      T   118_A     0.841     0    0.028   0.030     0.913   90.476   90.476
LGA    I   119_A      I   119_A     0.683     0    0.138   0.138     1.101   88.214   88.214
LGA    G   120_A      G   120_A     1.233     0    0.165   0.165     1.678   81.548   81.548

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):     1.071          1.068                  1.576           87.126   80.014

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    1.07    91.587    96.525     8.884

LGA_LOCAL      RMSD:   1.071  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.071  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   1.071  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.124640 * X  +   0.399482 * Y  +  -0.908228 * Z  +  -3.701492
  Y_new =  -0.857861 * X  +  -0.503319 * Y  +  -0.103656 * Z  +   4.617939
  Z_new =  -0.498537 * X  +   0.766214 * Y  +   0.405434 * Z  +  -1.435844 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.715078  0.521910  1.084110   [DEG:  -98.2668   29.9033   62.1149 ]
ZXZ: -1.457159  1.153343 -0.576832   [DEG:  -83.4890   66.0817  -33.0500 ]
 
# END of job
