
#######################################################
#                                                     #
#                        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   93 (  723),  selected   90 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   90 , 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:    90       2_A - 93_A        1.44     1.44
  LCS_AVERAGE:     93.75

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       2_A - 93_A        1.44     1.44
  LCS_AVERAGE:     93.75

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       3_A - 93_A        0.98     1.46
  LCS_AVERAGE:     91.71

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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     A     2_A     A     2_A      3   90   90      3    3    4    4    5    7    8   14   14   26   76   83   88   90   90   90   90   90   90   90 
LCS_GDT     K     3_A     K     3_A     89   90   90      3    4    5    5    8   47   75   82   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     89   90   90      3    4    5   57   69   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     R     5_A     R     5_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A     6_A     A     6_A     89   90   90     14   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L     7_A     L     7_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     T     8_A     T     8_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L     9_A     L     9_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     E    10_A     E    10_A     89   90   90     63   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A    11_A     A    11_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L    12_A     L    12_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     R    13_A     R    13_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     V    14_A     V    14_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     M    15_A     M    15_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     D    16_A     D    16_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     I    18_A     I    18_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     D    19_A     D    19_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     R    20_A     R    20_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     R    21_A     R    21_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     G    22_A     G    22_A     89   90   90     63   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     S    23_A     S    23_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     F    24_A     F    24_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A    25_A     A    25_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A    27_A     A    27_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A    28_A     A    28_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     D    29_A     D    29_A     89   90   90     60   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     E    30_A     E    30_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L    31_A     L    31_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     G    32_A     G    32_A     89   90   90     37   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     R    33_A     R    33_A     89   90   90     37   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     V    34_A     V    34_A     89   90   90     49   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     P    35_A     P    35_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     S    36_A     S    36_A     89   90   90     47   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A    37_A     A    37_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L    38_A     L    38_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     S    39_A     S    39_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     Y    40_A     Y    40_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     T    41_A     T    41_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     M    42_A     M    42_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     Q    43_A     Q    43_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     K    44_A     K    44_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L    45_A     L    45_A     89   90   90     13   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     E    46_A     E    46_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     E    47_A     E    47_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     E    48_A     E    48_A     89   90   90     13   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L    49_A     L    49_A     89   90   90     13   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     D    50_A     D    50_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     V    51_A     V    51_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     V    52_A     V    52_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L    53_A     L    53_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     F    54_A     F    54_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     D    55_A     D    55_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     R    56_A     R    56_A     89   90   90     37   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A     89   90   90     63   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     R    60_A     R    60_A     89   90   90     49   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     T    61_A     T    61_A     89   90   90     60   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     K    62_A     K    62_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     F    63_A     F    63_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     T    64_A     T    64_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     N    65_A     N    65_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     V    66_A     V    66_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     G    67_A     G    67_A     89   90   90     25   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     R    68_A     R    68_A     89   90   90     20   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     M    69_A     M    69_A     89   90   90     49   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L    70_A     L    70_A     89   90   90     31   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L    71_A     L    71_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     E    72_A     E    72_A     89   90   90     12   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     R    73_A     R    73_A     89   90   90     53   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     G    74_A     G    74_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     R    75_A     R    75_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     V    76_A     V    76_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L    77_A     L    77_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L    78_A     L    78_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     E    79_A     E    79_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A    80_A     A    80_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A    81_A     A    81_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     K    83_A     K    83_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     T    85_A     T    85_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     D    87_A     D    87_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A    88_A     A    88_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     E    89_A     E    89_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A    90_A     A    90_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     L    91_A     L    91_A     89   90   90     64   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     A    92_A     A    92_A     89   90   90     52   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_GDT     R    93_A     R    93_A     89   90   90     31   87   87   87   87   88   88   88   89   89   89   89   89   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  93.07  (  91.71   93.75   93.75 )

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     64     87     87     87     87     88     88     88     89     89     89     89     89     90     90     90     90     90     90     90 
GDT PERCENT_AT  66.67  90.62  90.62  90.62  90.62  91.67  91.67  91.67  92.71  92.71  92.71  92.71  92.71  93.75  93.75  93.75  93.75  93.75  93.75  93.75
GDT RMS_LOCAL    0.34   0.47   0.47   0.47   0.47   0.65   0.65   0.65   0.98   0.98   0.98   0.98   0.98   1.44   1.44   1.44   1.44   1.44   1.44   1.44
GDT RMS_ALL_AT   1.49   1.50   1.50   1.50   1.50   1.48   1.48   1.48   1.46   1.46   1.46   1.46   1.46   1.44   1.44   1.44   1.44   1.44   1.44   1.44

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  E    30_A      E    30_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  E    46_A      E    46_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    89_A      E    89_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    10.552     0    0.476   0.474    11.267    0.476    0.381
LGA    K     3_A      K     3_A     7.024     0    0.271   1.224    16.177   27.262   12.910
LGA    E     4_A      E     4_A     4.155     0    0.103   1.308    10.291   36.190   18.677
LGA    R     5_A      R     5_A     0.623     0    0.295   0.758     7.541   90.476   56.320
LGA    A     6_A      A     6_A     1.202     0    0.152   0.155     1.902   81.548   79.810
LGA    L     7_A      L     7_A     0.605     0    0.070   0.130     0.739   90.476   90.476
LGA    T     8_A      T     8_A     0.247     0    0.031   0.070     0.631  100.000   98.639
LGA    L     9_A      L     9_A     0.306     0    0.021   0.078     0.408  100.000  100.000
LGA    E    10_A      E    10_A     0.519     0    0.052   0.919     3.282   97.619   81.587
LGA    A    11_A      A    11_A     0.349     0    0.032   0.041     0.393  100.000  100.000
LGA    L    12_A      L    12_A     0.208     0    0.041   0.039     0.274  100.000  100.000
LGA    R    13_A      R    13_A     0.246     0    0.035   0.317     1.108  100.000   93.983
LGA    V    14_A      V    14_A     0.303     0    0.024   0.030     0.342  100.000  100.000
LGA    M    15_A      M    15_A     0.266     0    0.033   0.886     2.872  100.000   93.452
LGA    D    16_A      D    16_A     0.291     0    0.026   0.112     0.731  100.000   96.429
LGA    A    17_A      A    17_A     0.273     0    0.030   0.037     0.385  100.000  100.000
LGA    I    18_A      I    18_A     0.238     0    0.028   0.033     0.297  100.000  100.000
LGA    D    19_A      D    19_A     0.233     0    0.028   0.129     0.652  100.000   98.810
LGA    R    20_A      R    20_A     0.264     0    0.080   0.157     0.443  100.000  100.000
LGA    R    21_A      R    21_A     0.467     0    0.024   0.671     2.506   95.238   92.641
LGA    G    22_A      G    22_A     0.531     0    0.028   0.028     0.531   95.238   95.238
LGA    S    23_A      S    23_A     0.305     0    0.023   0.078     0.403  100.000  100.000
LGA    F    24_A      F    24_A     0.360     0    0.021   0.210     0.878  100.000   98.268
LGA    A    25_A      A    25_A     0.470     0    0.033   0.038     0.547   97.619   96.190
LGA    A    26_A      A    26_A     0.048     0    0.068   0.066     0.591   97.619   98.095
LGA    A    27_A      A    27_A     0.082     0    0.015   0.016     0.216  100.000  100.000
LGA    A    28_A      A    28_A     0.341     0    0.044   0.050     0.509   97.619   98.095
LGA    D    29_A      D    29_A     0.544     0    0.014   0.880     2.590   90.476   84.048
LGA    E    30_A      E    30_A     0.444     0    0.012   0.082     0.673   95.238   95.767
LGA    L    31_A      L    31_A     0.486     0    0.040   0.052     0.552   95.238   97.619
LGA    G    32_A      G    32_A     0.788     0    0.010   0.010     0.788   90.476   90.476
LGA    R    33_A      R    33_A     0.699     0    0.032   1.496     6.101   90.476   65.455
LGA    V    34_A      V    34_A     0.644     0    0.037   0.096     0.951   95.238   93.197
LGA    P    35_A      P    35_A     0.240     0    0.004   0.044     0.607  100.000   98.639
LGA    S    36_A      S    36_A     0.536     0    0.112   0.619     3.484   97.619   86.984
LGA    A    37_A      A    37_A     0.254     0    0.030   0.037     0.319  100.000  100.000
LGA    L    38_A      L    38_A     0.162     0    0.028   0.059     0.446  100.000  100.000
LGA    S    39_A      S    39_A     0.226     0    0.034   0.034     0.386  100.000  100.000
LGA    Y    40_A      Y    40_A     0.189     0    0.013   0.038     0.273  100.000  100.000
LGA    T    41_A      T    41_A     0.214     0    0.010   0.041     0.271  100.000  100.000
LGA    M    42_A      M    42_A     0.317     0    0.022   0.091     0.420  100.000  100.000
LGA    Q    43_A      Q    43_A     0.247     0    0.085   0.119     1.394  100.000   93.757
LGA    K    44_A      K    44_A     0.374     0    0.046   0.746     5.124   95.238   78.307
LGA    L    45_A      L    45_A     0.768     0    0.016   0.050     1.121   90.476   87.083
LGA    E    46_A      E    46_A     0.544     0    0.035   0.156     1.030   90.476   89.471
LGA    E    47_A      E    47_A     0.473     0    0.054   0.213     1.122   95.238   92.646
LGA    E    48_A      E    48_A     0.989     0    0.064   0.226     1.531   83.810   86.508
LGA    L    49_A      L    49_A     0.842     0    0.030   0.154     1.261   90.476   88.214
LGA    D    50_A      D    50_A     0.364     0    0.016   0.173     0.841   97.619   96.429
LGA    V    51_A      V    51_A     0.557     0    0.036   0.068     1.054   92.857   90.544
LGA    V    52_A      V    52_A     0.563     0    0.014   0.036     0.681   92.857   91.837
LGA    L    53_A      L    53_A     0.529     0    0.039   0.054     1.150   95.238   90.595
LGA    F    54_A      F    54_A     0.210     0    0.081   0.113     0.522  100.000   99.134
LGA    D    55_A      D    55_A     0.118     0    0.016   0.487     0.936   97.619   96.429
LGA    R    56_A      R    56_A     1.098     0    0.041   0.381     3.848   85.952   71.299
LGA    S    57_A      S    57_A     0.507     0    0.668   0.596     3.591   78.810   82.698
LGA    R    60_A      R    60_A     0.796     6    0.118   0.185     1.388   88.214   40.303
LGA    T    61_A      T    61_A     0.547     0    0.065   0.209     0.735   92.857   94.558
LGA    K    62_A      K    62_A     0.176     0    0.017   0.907     3.838  100.000   85.291
LGA    F    63_A      F    63_A     0.205     0    0.040   0.198     0.924  100.000   97.403
LGA    T    64_A      T    64_A     0.394     0    0.017   0.060     0.648   95.238   94.558
LGA    N    65_A      N    65_A     0.467     0    0.033   0.217     1.018  100.000   97.679
LGA    V    66_A      V    66_A     0.447     0    0.019   0.093     0.549   97.619   97.279
LGA    G    67_A      G    67_A     0.669     0    0.051   0.051     0.669   90.476   90.476
LGA    R    68_A      R    68_A     0.655     0    0.078   1.263     5.578   92.857   70.087
LGA    M    69_A      M    69_A     0.683     0    0.018   1.149     3.434   90.476   85.476
LGA    L    70_A      L    70_A     0.701     0    0.010   1.184     2.463   90.476   82.917
LGA    L    71_A      L    71_A     0.489     0    0.041   0.070     0.513   97.619   98.810
LGA    E    72_A      E    72_A     0.635     0    0.013   0.092     1.413   90.476   86.455
LGA    R    73_A      R    73_A     0.628     0    0.044   1.211     3.775   95.238   83.853
LGA    G    74_A      G    74_A     0.406     0    0.058   0.058     0.406  100.000  100.000
LGA    R    75_A      R    75_A     0.108     0    0.075   0.161     0.700  100.000   98.268
LGA    V    76_A      V    76_A     0.265     0    0.018   0.018     0.356  100.000  100.000
LGA    L    77_A      L    77_A     0.377     0    0.024   0.902     3.156   97.619   89.048
LGA    L    78_A      L    78_A     0.293     0    0.059   0.094     0.415  100.000  100.000
LGA    E    79_A      E    79_A     0.215     0    0.017   0.959     3.050  100.000   80.159
LGA    A    80_A      A    80_A     0.384     0    0.060   0.063     0.619  100.000   98.095
LGA    A    81_A      A    81_A     0.342     0    0.045   0.052     0.359  100.000  100.000
LGA    D    82_A      D    82_A     0.358     0    0.022   0.163     0.873  100.000   96.429
LGA    K    83_A      K    83_A     0.318     0    0.047   0.569     1.416  100.000   96.878
LGA    L    84_A      L    84_A     0.303     0    0.025   0.141     0.623  100.000   98.810
LGA    T    85_A      T    85_A     0.331     0    0.016   0.030     0.430  100.000  100.000
LGA    T    86_A      T    86_A     0.267     0    0.015   0.057     0.555  100.000   98.639
LGA    D    87_A      D    87_A     0.174     0    0.028   0.051     0.455  100.000  100.000
LGA    A    88_A      A    88_A     0.338     0    0.024   0.021     0.425  100.000  100.000
LGA    E    89_A      E    89_A     0.430     0    0.020   0.520     2.284   97.619   90.847
LGA    A    90_A      A    90_A     0.399     0    0.016   0.014     0.581   97.619   98.095
LGA    L    91_A      L    91_A     0.317     0    0.088   1.393     3.610  100.000   82.262
LGA    A    92_A      A    92_A     0.557     0    0.116   0.117     0.780   92.857   94.286
LGA    R    93_A      R    93_A     0.693     0    0.557   1.275     6.069   81.786   69.654

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     695    695  100.00                96
SUMMARY(RMSD_GDC):     1.440          1.401                  2.025           87.894   83.789

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   93   96    4.0     88    0.65    91.667    92.283    11.720

LGA_LOCAL      RMSD:   0.651  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.483  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.440  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.276637 * X  +   0.903428 * Y  +  -0.327551 * Z  +   1.143253
  Y_new =  -0.070306 * X  +   0.320913 * Y  +   0.944496 * Z  +   8.500715
  Z_new =   0.958399 * X  +   0.284311 * Y  +  -0.025260 * Z  +  23.160358 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.892716 -1.281340  1.659409   [DEG: -165.7404  -73.4154   95.0771 ]
ZXZ: -2.807771  1.596059  1.282414   [DEG: -160.8734   91.4474   73.4769 ]
 
# END of job
