
#######################################################
#                                                     #
#                        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   95 (  841),  selected   76 , name one
# Molecule2: number of CA atoms   76 (  680),  selected   76 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       9_B - 89_B        1.57     1.57
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       9_B - 89_B        1.57     1.57
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50       9_B - 58_B        0.60     2.06
  LCS_AVERAGE:     54.99

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   76
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     S     9_B     S     9_B     50   76   76      4   46   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     P    10_B     P    10_B     50   76   76     30   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    11_B     K    11_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    12_B     E    12_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    13_B     E    13_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    14_B     K    14_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     F    15_B     F    15_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    16_B     K    16_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    17_B     K    17_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    18_B     K    18_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    19_B     L    19_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    20_B     E    20_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    21_B     E    21_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    22_B     E    22_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    23_B     L    23_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    24_B     K    24_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    25_B     K    25_B     50   76   76     30   51   57   60   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     I    26_B     I    26_B     50   76   76     30   51   57   60   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     R    27_B     R    27_B     50   76   76     32   51   57   63   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    28_B     E    28_B     50   76   76     30   51   57   60   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     R    29_B     R    29_B     50   76   76     30   45   56   60   65   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    30_B     L    30_B     50   76   76     30   51   57   60   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    31_B     L    31_B     50   76   76     32   51   57   61   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     M    32_B     M    32_B     50   76   76     32   51   57   60   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     V    33_B     V    33_B     50   76   76     32   51   57   60   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     F    34_B     F    34_B     50   76   76     30   51   57   62   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     D    35_B     D    35_B     50   76   76     26   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    36_B     E    36_B     50   76   76     13   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    37_B     E    37_B     50   76   76     30   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     R    38_B     R    38_B     50   76   76     30   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     V    39_B     V    39_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    40_B     E    40_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    41_B     E    41_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     Y    42_B     Y    42_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     M    43_B     M    43_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    44_B     K    44_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     I    45_B     I    45_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     M    46_B     M    46_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    47_B     K    47_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    48_B     E    48_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     V    49_B     V    49_B     50   76   76     29   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     I    50_B     I    50_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    51_B     E    51_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    52_B     K    52_B     50   76   76     29   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     I    53_B     I    53_B     50   76   76     29   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    54_B     L    54_B     50   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    55_B     E    55_B     50   76   76     24   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     N    56_B     N    56_B     50   76   76     25   49   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     R    57_B     R    57_B     50   76   76     29   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    58_B     K    58_B     50   76   76     26   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    64_B     K    64_B     26   76   76      3    5   14   31   58   68   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     V    65_B     V    65_B     26   76   76      3   25   42   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    66_B     E    66_B     26   76   76      8   25   48   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     I    67_B     I    67_B     26   76   76      6   25   48   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     P    68_B     P    68_B     26   76   76      5   25   48   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     P    69_B     P    69_B     26   76   76      5   25   48   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     G    70_B     G    70_B     26   76   76      8   25   48   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     M    71_B     M    71_B     26   76   76      9   25   48   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    72_B     E    72_B     26   76   76      9   25   48   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     W    73_B     W    73_B     26   76   76     14   25   48   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     F    74_B     F    74_B     26   76   76     14   25   41   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     Y    75_B     Y    75_B     26   76   76     15   21   42   61   70   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    76_B     E    76_B     26   76   76     15   25   48   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     N    77_B     N    77_B     26   76   76     15   25   48   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     F    78_B     F    78_B     26   76   76     15   25   47   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    79_B     L    79_B     26   76   76     15   25   48   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     R    80_B     R    80_B     26   76   76     15   36   55   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     Y    81_B     Y    81_B     26   76   76     15   36   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     Y    82_B     Y    82_B     26   76   76     15   30   54   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     D    83_B     D    83_B     26   76   76     15   33   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     Y    84_B     Y    84_B     26   76   76     29   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    85_B     E    85_B     26   76   76     29   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    86_B     E    86_B     26   76   76     15   31   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    87_B     E    87_B     26   76   76     15   20   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    88_B     K    88_B     26   76   76     32   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    89_B     L    89_B     26   76   76     30   51   57   64   72   75   75   76   76   76   76   76   76   76   76   76   76   76   76   76 
LCS_AVERAGE  LCS_A:  85.00  (  54.99  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     32     51     57     64     72     75     75     76     76     76     76     76     76     76     76     76     76     76     76     76 
GDT PERCENT_AT  42.11  67.11  75.00  84.21  94.74  98.68  98.68 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.56   0.71   1.28   1.43   1.50   1.50   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57
GDT RMS_ALL_AT   2.21   2.05   1.97   1.64   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57

# Checking swapping
#   possible swapping detected:  E    13_B      E    13_B
#   possible swapping detected:  F    15_B      F    15_B
#   possible swapping detected:  E    20_B      E    20_B
#   possible swapping detected:  E    22_B      E    22_B
#   possible swapping detected:  E    28_B      E    28_B
#   possible swapping detected:  E    37_B      E    37_B
#   possible swapping detected:  E    41_B      E    41_B
#   possible swapping detected:  E    48_B      E    48_B
#   possible swapping detected:  E    51_B      E    51_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  F    74_B      F    74_B
#   possible swapping detected:  Y    75_B      Y    75_B
#   possible swapping detected:  F    78_B      F    78_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  E    85_B      E    85_B
#   possible swapping detected:  E    86_B      E    86_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     9_B      S     9_B     1.636     0    0.164   0.194     3.052   79.286   70.714
LGA    P    10_B      P    10_B     1.203     0    0.025   0.299     1.820   83.690   80.272
LGA    K    11_B      K    11_B     0.742     0    0.031   0.847     4.081   90.476   75.397
LGA    E    12_B      E    12_B     1.082     0    0.019   0.533     2.435   83.690   75.026
LGA    E    13_B      E    13_B     0.995     0    0.027   1.139     4.877   88.214   71.164
LGA    K    14_B      K    14_B     0.608     0    0.010   0.730     3.880   92.857   76.243
LGA    F    15_B      F    15_B     0.719     0    0.047   0.208     1.522   90.476   83.939
LGA    K    16_B      K    16_B     0.707     0    0.048   0.159     2.177   95.238   83.810
LGA    K    17_B      K    17_B     0.408     0    0.020   1.005     4.480   97.619   83.016
LGA    K    18_B      K    18_B     0.686     0    0.018   0.796     4.031   92.857   74.656
LGA    L    19_B      L    19_B     0.828     0    0.052   0.074     1.731   90.476   84.940
LGA    E    20_B      E    20_B     0.344     0    0.018   0.437     1.867   95.238   93.810
LGA    E    21_B      E    21_B     1.141     0    0.022   0.759     3.167   83.690   77.037
LGA    E    22_B      E    22_B     1.368     0    0.040   0.338     1.753   81.429   81.481
LGA    L    23_B      L    23_B     1.157     0    0.025   0.118     1.452   81.429   84.821
LGA    K    24_B      K    24_B     1.340     0    0.041   0.606     2.400   77.143   74.815
LGA    K    25_B      K    25_B     2.168     0    0.032   0.550     3.053   66.786   65.926
LGA    I    26_B      I    26_B     2.001     0    0.047   0.191     2.027   70.833   70.833
LGA    R    27_B      R    27_B     1.359     0    0.038   0.851     2.384   75.000   81.688
LGA    E    28_B      E    28_B     2.186     0    0.017   0.578     3.017   66.786   63.175
LGA    R    29_B      R    29_B     2.874     0    0.015   1.269     5.439   57.143   51.775
LGA    L    30_B      L    30_B     2.232     0    0.051   0.108     2.523   64.762   65.833
LGA    L    31_B      L    31_B     1.815     0    0.064   0.087     2.169   68.810   74.107
LGA    M    32_B      M    32_B     2.419     0    0.056   0.639     5.107   64.762   55.357
LGA    V    33_B      V    33_B     2.352     0    0.018   0.028     2.725   64.762   62.585
LGA    F    34_B      F    34_B     1.713     0    0.079   0.126     2.723   75.000   68.571
LGA    D    35_B      D    35_B     1.011     0    0.039   0.885     3.519   81.429   72.679
LGA    E    36_B      E    36_B     1.224     0    0.029   0.859     2.034   85.952   81.640
LGA    E    37_B      E    37_B     0.573     0    0.065   0.623     1.502   90.476   90.688
LGA    R    38_B      R    38_B     0.952     0    0.034   0.940     2.059   90.476   83.247
LGA    V    39_B      V    39_B     0.949     0    0.022   0.055     1.131   90.476   87.891
LGA    E    40_B      E    40_B     0.867     0    0.015   1.123     3.651   90.476   78.519
LGA    E    41_B      E    41_B     0.773     0    0.049   0.647     2.740   90.476   82.857
LGA    Y    42_B      Y    42_B     0.872     0    0.012   1.321     7.162   90.476   61.905
LGA    M    43_B      M    43_B     0.764     0    0.017   0.129     1.173   90.476   88.214
LGA    K    44_B      K    44_B     0.732     0    0.034   0.578     1.971   90.476   88.519
LGA    I    45_B      I    45_B     0.929     0    0.023   0.064     1.156   90.476   89.345
LGA    M    46_B      M    46_B     0.850     0    0.013   0.196     1.243   90.476   89.345
LGA    K    47_B      K    47_B     0.789     0    0.081   0.109     0.834   90.476   90.476
LGA    E    48_B      E    48_B     1.047     0    0.010   0.583     2.928   85.952   81.852
LGA    V    49_B      V    49_B     0.905     0    0.036   0.151     1.012   88.214   89.184
LGA    I    50_B      I    50_B     0.829     0    0.014   0.064     0.870   90.476   90.476
LGA    E    51_B      E    51_B     0.856     0    0.019   0.562     1.787   88.214   84.550
LGA    K    52_B      K    52_B     0.880     0    0.014   1.017     4.799   90.476   74.762
LGA    I    53_B      I    53_B     0.883     0    0.010   0.092     1.169   90.476   88.214
LGA    L    54_B      L    54_B     1.114     0    0.040   0.123     1.814   81.429   80.357
LGA    E    55_B      E    55_B     0.932     0    0.042   0.828     3.916   88.214   75.291
LGA    N    56_B      N    56_B     0.501     0    0.068   0.967     3.280   90.476   79.226
LGA    R    57_B      R    57_B     0.815     0    0.053   0.882     2.090   90.476   84.978
LGA    K    58_B      K    58_B     0.969     0    0.106   0.350     2.413   88.214   81.640
LGA    K    64_B      K    64_B     4.058     0    0.021   0.715     7.588   45.119   31.217
LGA    V    65_B      V    65_B     2.391     0    0.023   0.061     2.983   60.952   62.585
LGA    E    66_B      E    66_B     2.135     0    0.028   0.741     4.833   64.762   57.725
LGA    I    67_B      I    67_B     2.414     0    0.102   1.061     4.281   64.762   56.667
LGA    P    68_B      P    68_B     2.292     0    0.035   0.310     2.528   64.762   62.585
LGA    P    69_B      P    69_B     2.221     0    0.040   0.321     2.379   64.762   65.918
LGA    G    70_B      G    70_B     2.215     0    0.076   0.076     2.215   64.762   64.762
LGA    M    71_B      M    71_B     2.076     0    0.037   0.680     2.643   64.762   66.845
LGA    E    72_B      E    72_B     2.322     0    0.078   0.629     3.947   64.762   55.979
LGA    W    73_B      W    73_B     2.236     0    0.013   1.267     6.755   64.762   46.088
LGA    F    74_B      F    74_B     2.648     0    0.100   0.266     2.782   57.143   57.835
LGA    Y    75_B      Y    75_B     2.761     0    0.018   0.150     3.446   59.048   55.397
LGA    E    76_B      E    76_B     2.034     0    0.068   0.952     4.619   68.810   62.963
LGA    N    77_B      N    77_B     1.818     0    0.048   0.788     3.895   72.857   62.619
LGA    F    78_B      F    78_B     2.201     0    0.096   0.212     2.435   64.762   66.970
LGA    L    79_B      L    79_B     2.056     0    0.026   0.155     2.567   70.952   66.905
LGA    R    80_B      R    80_B     0.849     0    0.018   1.158     5.242   90.595   71.169
LGA    Y    81_B      Y    81_B     0.888     0    0.006   0.095     2.784   92.857   76.905
LGA    Y    82_B      Y    82_B     1.140     0    0.081   0.173     2.410   81.429   72.341
LGA    D    83_B      D    83_B     1.204     0    0.022   0.119     1.773   83.690   79.345
LGA    Y    84_B      Y    84_B     0.644     0    0.033   0.171     2.469   90.476   82.500
LGA    E    85_B      E    85_B     0.198     0    0.010   0.372     1.839   95.238   91.693
LGA    E    86_B      E    86_B     1.164     0    0.075   0.918     4.726   83.690   68.942
LGA    E    87_B      E    87_B     1.722     0    0.077   0.652     2.136   72.976   76.772
LGA    K    88_B      K    88_B     1.430     0    0.025   0.606     1.875   79.286   76.667
LGA    L    89_B      L    89_B     1.035     0    0.029   0.055     1.564   77.143   86.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       76     304    304  100.00     680    680  100.00                76
SUMMARY(RMSD_GDC):     1.568          1.547                  2.077           79.984   74.374

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   95   76    4.0     76    1.57    87.829    93.929     4.557

LGA_LOCAL      RMSD:   1.568  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.568  Number of assigned atoms:   76 
Std_ASGN_ATOMS RMSD:   1.568  Standard rmsd on all 76 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.687008 * X  +  -0.704147 * Y  +   0.179434 * Z  +  18.861994
  Y_new =   0.726160 * X  +   0.656220 * Y  +  -0.205101 * Z  + -26.970850
  Z_new =   0.026673 * X  +   0.271204 * Y  +   0.962152 * Z  +  -2.484262 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.813096 -0.026676  0.274744   [DEG:   46.5870   -1.5284   15.7417 ]
ZXZ:  0.718749  0.276004  0.098035   [DEG:   41.1813   15.8138    5.6170 ]
 
# END of job
