
#######################################################
#                                                     #
#                        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  101 (  800),  selected   96 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   96 , 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:    96       2_A - 99_A        2.51     2.51
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94       2_A - 97_A        1.76     2.58
  LONGEST_CONTINUOUS_SEGMENT:    94       3_A - 98_A        1.86     2.53
  LCS_AVERAGE:     96.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91       4_A - 96_A        0.79     2.61
  LCS_AVERAGE:     90.02

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   96
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   94   96      3    3    4    4    5    6    7    7   16   31   84   91   93   93   93   93   93   93   95   96 
LCS_GDT     K     3_A     K     3_A      3   94   96      3    3    4    7   11   48   70   84   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     E     4_A     E     4_A     91   94   96      3   14   32   43   60   83   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     R     5_A     R     5_A     91   94   96     11   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A     6_A     A     6_A     91   94   96     35   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L     7_A     L     7_A     91   94   96     58   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     T     8_A     T     8_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L     9_A     L     9_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     E    10_A     E    10_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A    11_A     A    11_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    12_A     L    12_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     R    13_A     R    13_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     V    14_A     V    14_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     M    15_A     M    15_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     D    16_A     D    16_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A    17_A     A    17_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     I    18_A     I    18_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     D    19_A     D    19_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     R    20_A     R    20_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     R    21_A     R    21_A     91   94   96     58   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     G    22_A     G    22_A     91   94   96     57   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     S    23_A     S    23_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     F    24_A     F    24_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A    25_A     A    25_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A    26_A     A    26_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A    27_A     A    27_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A    28_A     A    28_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     D    29_A     D    29_A     91   94   96     58   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     E    30_A     E    30_A     91   94   96     56   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    31_A     L    31_A     91   94   96     58   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     G    32_A     G    32_A     91   94   96     33   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     R    33_A     R    33_A     91   94   96     33   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     V    34_A     V    34_A     91   94   96     33   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     P    35_A     P    35_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     S    36_A     S    36_A     91   94   96     57   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A    37_A     A    37_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    38_A     L    38_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     S    39_A     S    39_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     Y    40_A     Y    40_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     T    41_A     T    41_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     M    42_A     M    42_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     Q    43_A     Q    43_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     K    44_A     K    44_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    45_A     L    45_A     91   94   96     35   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     E    46_A     E    46_A     91   94   96     35   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     E    47_A     E    47_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     E    48_A     E    48_A     91   94   96     20   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    49_A     L    49_A     91   94   96     35   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     D    50_A     D    50_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     V    51_A     V    51_A     91   94   96     55   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     V    52_A     V    52_A     91   94   96     56   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    53_A     L    53_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     F    54_A     F    54_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     D    55_A     D    55_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     R    56_A     R    56_A     91   94   96     35   80   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     S    57_A     S    57_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     R    60_A     R    60_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     T    61_A     T    61_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     K    62_A     K    62_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     F    63_A     F    63_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     T    64_A     T    64_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     N    65_A     N    65_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     V    66_A     V    66_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     G    67_A     G    67_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     R    68_A     R    68_A     91   94   96     58   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     M    69_A     M    69_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    70_A     L    70_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    71_A     L    71_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     E    72_A     E    72_A     91   94   96     18   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     R    73_A     R    73_A     91   94   96     47   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     G    74_A     G    74_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     R    75_A     R    75_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     V    76_A     V    76_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    77_A     L    77_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    78_A     L    78_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     E    79_A     E    79_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A    80_A     A    80_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A    81_A     A    81_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     D    82_A     D    82_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     K    83_A     K    83_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    84_A     L    84_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     T    85_A     T    85_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     T    86_A     T    86_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     D    87_A     D    87_A     91   94   96     59   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A    88_A     A    88_A     91   94   96     58   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     E    89_A     E    89_A     91   94   96     58   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A    90_A     A    90_A     91   94   96     58   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    91_A     L    91_A     91   94   96     58   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     A    92_A     A    92_A     91   94   96     58   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     R    93_A     R    93_A     91   94   96     52   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     L    94_A     L    94_A     91   94   96     52   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     E    95_A     E    95_A     91   94   96     51   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     H    96_A     H    96_A     91   94   96     51   88   90   90   90   90   91   91   92   92   92   92   93   93   93   93   93   94   95   96 
LCS_GDT     H    97_A     H    97_A      3   94   96      3    4    4    4    5    5    8    9   18   53   87   92   93   93   93   93   93   94   95   96 
LCS_GDT     H    98_A     H    98_A      3   94   96      1    4    4    4    5    5    6    8   10   13   16   19   23   33   46   93   93   94   95   96 
LCS_GDT     H    99_A     H    99_A      3    3   96      0    3    3    3    5    5    6    8    9   13   16   16   17   23   26   33   50   88   92   96 
LCS_AVERAGE  LCS_A:  95.65  (  90.02   96.93  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     59     88     90     90     90     90     91     91     92     92     92     92     93     93     93     93     93     94     95     96 
GDT PERCENT_AT  61.46  91.67  93.75  93.75  93.75  93.75  94.79  94.79  95.83  95.83  95.83  95.83  96.88  96.88  96.88  96.88  96.88  97.92  98.96 100.00
GDT RMS_LOCAL    0.33   0.49   0.52   0.52   0.52   0.52   0.79   0.79   1.11   1.11   1.11   1.11   1.41   1.41   1.41   1.41   1.41   1.86   2.15   2.51
GDT RMS_ALL_AT   2.69   2.63   2.62   2.62   2.62   2.62   2.61   2.61   2.61   2.61   2.61   2.61   2.57   2.57   2.57   2.57   2.57   2.53   2.53   2.51

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E    10_A      E    10_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    48_A      E    48_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E    95_A      E    95_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    10.737     0    0.364   0.354    11.766    1.071    0.857
LGA    K     3_A      K     3_A     7.656     0    0.470   1.251    16.993   19.881    9.153
LGA    E     4_A      E     4_A     5.546     0    0.118   1.171    11.141   28.333   13.175
LGA    R     5_A      R     5_A     1.161     0    0.533   1.199    11.588   81.429   40.087
LGA    A     6_A      A     6_A     0.985     0    0.047   0.044     1.253   85.952   85.048
LGA    L     7_A      L     7_A     0.614     0    0.142   0.198     0.932   90.476   90.476
LGA    T     8_A      T     8_A     0.403     0    0.033   0.042     0.718  100.000   95.918
LGA    L     9_A      L     9_A     0.484     0    0.025   0.090     0.633   95.238   95.238
LGA    E    10_A      E    10_A     0.709     0    0.068   0.998     3.337   92.857   79.471
LGA    A    11_A      A    11_A     0.477     0    0.028   0.042     0.555   97.619   98.095
LGA    L    12_A      L    12_A     0.346     0    0.046   0.053     0.454  100.000  100.000
LGA    R    13_A      R    13_A     0.417     0    0.024   0.159     1.160  100.000   93.117
LGA    V    14_A      V    14_A     0.452     0    0.036   0.035     0.491  100.000  100.000
LGA    M    15_A      M    15_A     0.412     0    0.013   0.862     2.622  100.000   93.452
LGA    D    16_A      D    16_A     0.443     0    0.028   0.098     0.703  100.000   95.238
LGA    A    17_A      A    17_A     0.456     0    0.022   0.030     0.556  100.000   98.095
LGA    I    18_A      I    18_A     0.344     0    0.021   0.056     0.376  100.000  100.000
LGA    D    19_A      D    19_A     0.395     0    0.013   0.175     0.935  100.000   97.619
LGA    R    20_A      R    20_A     0.442     0    0.048   0.416     1.709   97.619   91.472
LGA    R    21_A      R    21_A     0.607     0    0.024   0.356     1.143   90.476   91.385
LGA    G    22_A      G    22_A     0.584     0    0.039   0.039     0.584   97.619   97.619
LGA    S    23_A      S    23_A     0.410     0    0.043   0.045     0.410  100.000  100.000
LGA    F    24_A      F    24_A     0.444     0    0.017   0.264     1.015  100.000   96.580
LGA    A    25_A      A    25_A     0.528     0    0.016   0.025     0.604   95.238   94.286
LGA    A    26_A      A    26_A     0.285     0    0.027   0.028     0.378  100.000  100.000
LGA    A    27_A      A    27_A     0.343     0    0.031   0.030     0.469  100.000  100.000
LGA    A    28_A      A    28_A     0.384     0    0.032   0.046     0.538   97.619   98.095
LGA    D    29_A      D    29_A     0.525     0    0.046   0.665     2.278   92.857   85.298
LGA    E    30_A      E    30_A     0.510     0    0.023   0.164     0.756   92.857   93.651
LGA    L    31_A      L    31_A     0.533     0    0.037   0.100     0.690   90.476   92.857
LGA    G    32_A      G    32_A     0.759     0    0.017   0.017     0.759   90.476   90.476
LGA    R    33_A      R    33_A     0.720     0    0.031   1.543     6.589   90.476   63.636
LGA    V    34_A      V    34_A     0.715     0    0.072   0.109     0.938   92.857   91.837
LGA    P    35_A      P    35_A     0.249     0    0.020   0.039     0.698  100.000   97.279
LGA    S    36_A      S    36_A     0.535     0    0.107   0.632     3.517   97.619   85.873
LGA    A    37_A      A    37_A     0.341     0    0.042   0.049     0.441  100.000  100.000
LGA    L    38_A      L    38_A     0.126     0    0.030   0.930     2.885  100.000   90.060
LGA    S    39_A      S    39_A     0.183     0    0.047   0.085     0.570  100.000   98.413
LGA    Y    40_A      Y    40_A     0.292     0    0.015   0.042     0.624  100.000   97.619
LGA    T    41_A      T    41_A     0.272     0    0.008   0.042     0.323  100.000  100.000
LGA    M    42_A      M    42_A     0.351     0    0.020   0.080     0.490  100.000  100.000
LGA    Q    43_A      Q    43_A     0.404     0    0.086   0.993     5.073   97.619   79.048
LGA    K    44_A      K    44_A     0.439     0    0.031   0.800     4.959   95.238   80.529
LGA    L    45_A      L    45_A     0.787     0    0.013   0.051     1.002   90.476   89.345
LGA    E    46_A      E    46_A     0.725     0    0.044   0.216     1.161   90.476   89.471
LGA    E    47_A      E    47_A     0.539     0    0.022   0.497     1.586   90.476   90.635
LGA    E    48_A      E    48_A     0.821     0    0.044   0.460     1.843   90.476   89.577
LGA    L    49_A      L    49_A     0.930     0    0.013   0.114     1.162   90.476   89.345
LGA    D    50_A      D    50_A     0.643     0    0.023   0.368     0.825   90.476   91.667
LGA    V    51_A      V    51_A     0.822     0    0.073   0.096     1.285   90.476   86.599
LGA    V    52_A      V    52_A     0.755     0    0.011   0.053     1.113   92.857   90.544
LGA    L    53_A      L    53_A     0.307     0    0.043   0.060     0.728  100.000   96.429
LGA    F    54_A      F    54_A     0.167     0    0.096   0.094     0.503  100.000   99.134
LGA    D    55_A      D    55_A     0.214     0    0.073   0.570     1.575   92.976   90.774
LGA    R    56_A      R    56_A     1.342     0    0.090   0.338     4.565   81.548   65.152
LGA    S    57_A      S    57_A     0.605     0    0.681   0.869     3.194   82.738   80.873
LGA    R    60_A      R    60_A     0.440     6    0.134   0.184     0.820   97.619   43.723
LGA    T    61_A      T    61_A     0.468     0    0.064   0.198     0.809   95.238   95.918
LGA    K    62_A      K    62_A     0.223     0    0.027   0.914     3.485  100.000   86.772
LGA    F    63_A      F    63_A     0.150     0    0.013   0.157     0.917  100.000   95.671
LGA    T    64_A      T    64_A     0.366     0    0.010   0.028     0.499  100.000  100.000
LGA    N    65_A      N    65_A     0.384     0    0.034   0.206     0.923  100.000   98.810
LGA    V    66_A      V    66_A     0.367     0    0.019   0.063     0.457  100.000  100.000
LGA    G    67_A      G    67_A     0.534     0    0.032   0.032     0.537   92.857   92.857
LGA    R    68_A      R    68_A     0.611     0    0.092   1.306     2.994   92.857   81.126
LGA    M    69_A      M    69_A     0.450     0    0.024   1.100     3.480   97.619   91.369
LGA    L    70_A      L    70_A     0.419     0    0.016   0.097     0.631  100.000   97.619
LGA    L    71_A      L    71_A     0.460     0    0.027   0.068     0.502   97.619   97.619
LGA    E    72_A      E    72_A     0.762     0    0.009   0.662     2.534   90.476   83.757
LGA    R    73_A      R    73_A     0.889     0    0.044   1.196     3.368   90.476   81.082
LGA    G    74_A      G    74_A     0.473     0    0.089   0.089     0.494  100.000  100.000
LGA    R    75_A      R    75_A     0.166     0    0.115   0.193     0.635   97.619   98.268
LGA    V    76_A      V    76_A     0.389     0    0.022   0.041     0.497  100.000  100.000
LGA    L    77_A      L    77_A     0.481     0    0.032   0.917     3.104   95.238   87.857
LGA    L    78_A      L    78_A     0.433     0    0.048   0.090     0.544  100.000   98.810
LGA    E    79_A      E    79_A     0.332     0    0.021   0.692     2.742  100.000   80.952
LGA    A    80_A      A    80_A     0.445     0    0.036   0.042     0.629  100.000   98.095
LGA    A    81_A      A    81_A     0.379     0    0.014   0.025     0.397  100.000  100.000
LGA    D    82_A      D    82_A     0.245     0    0.060   0.963     3.292  100.000   83.095
LGA    K    83_A      K    83_A     0.212     0    0.035   0.358     1.163  100.000   97.937
LGA    L    84_A      L    84_A     0.239     0    0.015   0.127     0.522  100.000   98.810
LGA    T    85_A      T    85_A     0.178     0    0.030   0.060     0.283  100.000  100.000
LGA    T    86_A      T    86_A     0.146     0    0.017   0.038     0.405  100.000  100.000
LGA    D    87_A      D    87_A     0.133     0    0.024   0.118     0.700  100.000   97.619
LGA    A    88_A      A    88_A     0.334     0    0.018   0.024     0.428  100.000  100.000
LGA    E    89_A      E    89_A     0.448     0    0.012   0.671     2.532   95.238   89.947
LGA    A    90_A      A    90_A     0.481     0    0.038   0.046     0.522   97.619   98.095
LGA    L    91_A      L    91_A     0.428     0    0.036   0.118     0.837   97.619   95.238
LGA    A    92_A      A    92_A     0.491     0    0.034   0.044     0.681   95.238   96.190
LGA    R    93_A      R    93_A     0.652     0    0.036   1.283     5.766   88.214   75.065
LGA    L    94_A      L    94_A     0.671     0    0.137   0.170     1.018   88.214   89.345
LGA    E    95_A      E    95_A     0.738     0    0.229   0.648     2.321   81.786   81.852
LGA    H    96_A      H    96_A     0.919     0    0.418   0.442     8.249   63.929   41.286
LGA    H    97_A      H    97_A     8.524     0    0.664   1.410    13.235    6.190    2.524
LGA    H    98_A      H    98_A    12.557     0    0.684   1.497    17.177    0.000    0.000
LGA    H    99_A      H    99_A    13.894     0    0.533   1.469    15.229    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       96     384    384  100.00     752    752  100.00                96
SUMMARY(RMSD_GDC):     2.511          2.509                  3.291           90.177   85.499

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     91    0.79    94.271    95.244    10.238

LGA_LOCAL      RMSD:   0.789  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.610  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.511  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.161865 * X  +  -0.982047 * Y  +   0.096871 * Z  +   2.006887
  Y_new =   0.589046 * X  +  -0.174912 * Y  +  -0.788943 * Z  +  21.299734
  Z_new =   0.791722 * X  +  -0.070641 * Y  +   0.606783 * Z  +  13.463408 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.838969 -0.913623 -0.115897   [DEG:  105.3652  -52.3468   -6.6404 ]
ZXZ:  0.122174  0.918789  1.659785   [DEG:    7.0000   52.6427   95.0987 ]
 
# END of job
