
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       1.10     1.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       1.10     1.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      10_B - 78_B        1.00     1.24
  LCS_AVERAGE:     53.45

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B     65  116  116      4   35   95  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     3_C     K     3_B     65  116  116      8   83  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     4_C     S     4_B     65  116  116     48   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     5_C     K     5_B     65  116  116     31   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     M     6_C     M     6_B     65  116  116     49   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L     7_C     L     7_B     65  116  116     30   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     8_C     S     8_B     65  116  116     25   77  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N     9_C     N     9_B     65  116  116     32   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    10_C     I    10_B     69  116  116     37   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    11_C     V    11_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    12_C     I    12_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    13_C     Q    13_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    14_C     E    14_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    15_C     V    15_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K    16_C     K    16_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    17_C     F    17_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    18_C     A    18_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    19_C     I    19_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    20_C     E    20_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    21_C     D    21_B     69  116  116     39   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    22_C     Y    22_B     69  116  116     39   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    23_C     C    23_B     69  116  116     48   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    24_C     A    24_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    25_C     I    25_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    26_C     L    26_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    27_C     S    27_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    28_C     F    28_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    29_C     A    29_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    30_C     S    30_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    31_C     D    31_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    32_C     S    32_B     69  116  116     43   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    33_C     Y    33_B     69  116  116     43   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    34_C     E    34_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    35_C     V    35_B     69  116  116     48   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    36_C     P    36_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    37_C     E    37_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    38_C     Q    38_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    39_C     Y    39_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    40_C     F    40_B     69  116  116     48   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    41_C     I    41_B     69  116  116     45   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    42_C     I    42_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    43_C     T    43_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    44_C     R    44_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    45_C     S    45_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    46_C     T    46_B     69  116  116     48   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    47_C     T    47_B     69  116  116     39   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    48_C     E    48_B     69  116  116     37   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    49_C     R    49_B     69  116  116     36   86  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    50_C     S    50_B     69  116  116      3   60  103  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    51_C     G    51_B     69  116  116     10   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    52_C     G    52_B     69  116  116     36   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    53_C     I    53_B     69  116  116     36   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    54_C     P    54_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    55_C     E    55_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    56_C     G    56_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    57_C     D    57_B     69  116  116     48   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    58_C     I    58_B     69  116  116     45   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    59_C     Y    59_B     69  116  116     42   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    60_C     L    60_B     69  116  116     45   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    61_C     E    61_B     69  116  116     44   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    62_C     S    62_B     69  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    63_C     N    63_B     69  116  116     49   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    64_C     L    64_B     69  116  116     33   81  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    65_C     F    65_B     69  116  116      3    4    4   87  105  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    66_C     L    66_B     69  116  116      4   13   51   75   99  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    67_C     D    67_B     69  116  116     15   47   72  105  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    68_C     F    68_B     69  116  116     15   67   93  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    69_C     N    69_B     69  116  116     35   78  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    70_C     P    70_B     69  116  116     40   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    71_C     Y    71_B     69  116  116     44   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    72_C     G    72_B     69  116  116     29   84  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    73_C     L    73_B     69  116  116     29   78  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    74_C     S    74_B     69  116  116     25   80  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    75_C     G    75_B     69  116  116     39   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    76_C     Y    76_B     69  116  116     44   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    77_C     L    77_B     69  116  116     45   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    78_C     L    78_B     69  116  116     40   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    79_C     S    79_B     49  116  116      5    9   53  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    80_C     E    80_B     49  116  116      2   66  103  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    81_C     P    81_B     49  116  116      3    4   48   79  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    82_C     N    82_B     49  116  116     40   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    83_C     C    83_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    84_C     V    84_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    85_C     D    85_B     49  116  116     48   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    86_C     L    86_B     49  116  116     46   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    87_C     L    87_B     49  116  116     44   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    88_C     I    88_B     49  116  116     25   82  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    89_C     E    89_B     49  116  116     29   82  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    90_C     P    90_B     49  116  116     30   75   98  110  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    91_C     N    91_B     49  116  116     25   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    92_C     N    92_B     49  116  116     31   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    93_C     Y    93_B     49  116  116     48   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    94_C     V    94_B     49  116  116     34   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    95_C     R    95_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    96_C     L    96_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    97_C     R    97_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    98_C     L    98_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    99_C     I    99_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   100_C     E   100_B     49  116  116     32   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   101_C     K   101_B     49  116  116     49   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   102_C     I   102_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   103_C     D   103_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   104_C     I   104_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   105_C     L   105_B     49  116  116     43   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   106_C     E   106_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V   107_C     V   107_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   108_C     E   108_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   109_C     N   109_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     H   110_C     H   110_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   111_C     L   111_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   112_C     K   112_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   113_C     F   113_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   114_C     L   114_B     49  116  116     50   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   115_C     F   115_B     49  116  116     37   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   116_C     D   116_B     49  116  116      4   68  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   117_C     N   117_B     49  116  116     41   87  105  111  112  114  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_AVERAGE  LCS_A:  84.48  (  53.45  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     50     87    105    111    112    114    115    116    116    116    116    116    116    116    116    116    116    116    116    116 
GDT PERCENT_AT  43.10  75.00  90.52  95.69  96.55  98.28  99.14 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.58   0.75   0.87   0.89   0.99   1.03   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10
GDT RMS_ALL_AT   1.21   1.13   1.12   1.11   1.11   1.11   1.11   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10

# Checking swapping
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  Y    59_C      Y    59_B
#   possible swapping detected:  E    61_C      E    61_B
#   possible swapping detected:  F    65_C      F    65_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  E   106_C      E   106_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B     1.960     0    0.064   0.152     3.220   75.000   65.306
LGA    K     3_C      K     3_B     1.242     0    0.100   0.572     3.157   83.810   72.540
LGA    S     4_C      S     4_B     0.388     0    0.013   0.090     1.123   90.595   92.143
LGA    K     5_C      K     5_B     1.144     0    0.015   1.033     4.074   85.952   71.481
LGA    M     6_C      M     6_B     1.119     0    0.028   0.831     2.059   81.429   78.274
LGA    L     7_C      L     7_B     1.368     0    0.072   0.102     1.953   77.143   79.286
LGA    S     8_C      S     8_B     1.500     0    0.048   0.154     2.006   79.286   75.794
LGA    N     9_C      N     9_B     1.232     0    0.057   0.259     1.845   83.690   81.488
LGA    I    10_C      I    10_B     0.876     0    0.038   0.741     1.941   88.214   84.940
LGA    V    11_C      V    11_B     0.630     0    0.051   0.054     0.806   92.857   91.837
LGA    I    12_C      I    12_B     0.201     0    0.012   0.111     0.684  100.000   98.810
LGA    Q    13_C      Q    13_B     0.294     0    0.039   0.971     2.767   97.619   92.116
LGA    E    14_C      E    14_B     0.437     0    0.026   0.563     1.969  100.000   88.783
LGA    V    15_C      V    15_B     0.478     0    0.035   0.068     0.847   92.857   94.558
LGA    K    16_C      K    16_B     0.380     0    0.077   0.609     2.525   97.619   90.000
LGA    F    17_C      F    17_B     0.208     0    0.034   0.087     0.605   97.619   99.134
LGA    A    18_C      A    18_B     0.437     0    0.022   0.037     0.664  100.000   98.095
LGA    I    19_C      I    19_B     0.448     0    0.012   0.065     0.906   95.238   92.857
LGA    E    20_C      E    20_B     0.383     0    0.079   0.144     1.859   97.619   87.778
LGA    D    21_C      D    21_B     0.887     0    0.029   0.285     1.967   90.595   82.798
LGA    Y    22_C      Y    22_B     0.720     0    0.042   0.094     1.198   90.476   85.198
LGA    C    23_C      C    23_B     0.381     0    0.008   0.719     2.550  100.000   92.857
LGA    A    24_C      A    24_B     0.294     0    0.033   0.036     0.624   97.619   96.190
LGA    I    25_C      I    25_B     0.180     0    0.007   0.068     0.797  100.000   98.810
LGA    L    26_C      L    26_B     0.040     0    0.016   0.121     0.570  100.000   98.810
LGA    S    27_C      S    27_B     0.136     0    0.029   0.085     0.302  100.000  100.000
LGA    F    28_C      F    28_B     0.097     0    0.099   0.113     0.494  100.000  100.000
LGA    A    29_C      A    29_B     0.478     0    0.023   0.035     0.535  100.000   98.095
LGA    S    30_C      S    30_B     0.637     0    0.023   0.030     0.722   90.476   90.476
LGA    D    31_C      D    31_B     0.734     0    0.012   0.137     0.955   90.476   90.476
LGA    S    32_C      S    32_B     0.945     0    0.045   0.626     3.280   85.952   80.714
LGA    Y    33_C      Y    33_B     1.236     0    0.046   0.392     3.209   85.952   70.119
LGA    E    34_C      E    34_B     0.651     0    0.019   0.267     0.798   90.476   91.534
LGA    V    35_C      V    35_B     0.842     0    0.127   0.128     1.602   92.857   86.735
LGA    P    36_C      P    36_B     0.765     0    0.031   0.295     0.881   90.476   91.837
LGA    E    37_C      E    37_B     0.604     0    0.021   0.741     3.032   90.476   74.868
LGA    Q    38_C      Q    38_B     0.420     0    0.025   0.241     1.317  100.000   94.762
LGA    Y    39_C      Y    39_B     0.277     0    0.012   0.103     1.037  100.000   94.484
LGA    F    40_C      F    40_B     0.373     0    0.049   0.080     1.013  100.000   93.117
LGA    I    41_C      I    41_B     0.487     0    0.048   0.102     0.666   97.619   97.619
LGA    I    42_C      I    42_B     0.229     0    0.047   0.094     0.473  100.000  100.000
LGA    T    43_C      T    43_B     0.317     0    0.059   0.880     2.277  100.000   91.088
LGA    R    44_C      R    44_B     0.238     0    0.018   0.204     1.175  100.000   95.714
LGA    S    45_C      S    45_B     0.298     0    0.046   0.105     0.388  100.000  100.000
LGA    T    46_C      T    46_B     0.501     0    0.061   0.083     0.676   92.857   93.197
LGA    T    47_C      T    47_B     0.894     0    0.022   0.046     1.072   88.214   85.306
LGA    E    48_C      E    48_B     1.061     0    0.054   0.194     1.731   83.690   80.529
LGA    R    49_C      R    49_B     1.174     0    0.051   0.359     2.108   79.286   77.576
LGA    S    50_C      S    50_B     1.768     0    0.014   0.464     4.404   79.286   68.571
LGA    G    51_C      G    51_B     1.062     0    0.262   0.262     2.974   77.619   77.619
LGA    G    52_C      G    52_B     1.092     0    0.081   0.081     1.342   81.429   81.429
LGA    I    53_C      I    53_B     1.092     0    0.038   0.197     2.436   85.952   80.536
LGA    P    54_C      P    54_B     0.389     0    0.026   0.159     0.922   97.619   95.918
LGA    E    55_C      E    55_B     0.461     0    0.069   0.544     1.139  100.000   92.698
LGA    G    56_C      G    56_B     0.155     0    0.009   0.009     0.171  100.000  100.000
LGA    D    57_C      D    57_B     0.306     0    0.044   0.226     0.907  100.000   98.810
LGA    I    58_C      I    58_B     0.554     0    0.105   1.006     2.324   92.857   84.048
LGA    Y    59_C      Y    59_B     0.750     0    0.055   0.070     0.886   90.476   90.476
LGA    L    60_C      L    60_B     0.422     0    0.049   0.062     0.592   97.619   95.238
LGA    E    61_C      E    61_B     0.580     0    0.040   0.344     2.283   95.238   84.921
LGA    S    62_C      S    62_B     0.498     0    0.037   0.053     1.073   92.976   92.143
LGA    N    63_C      N    63_B     1.197     0    0.126   0.163     1.648   81.548   84.881
LGA    L    64_C      L    64_B     1.644     0    0.665   0.783     3.082   69.286   71.131
LGA    F    65_C      F    65_B     3.310     0    0.128   1.210    12.352   47.619   19.567
LGA    L    66_C      L    66_B     4.280     0    0.669   1.404     9.663   42.619   25.298
LGA    D    67_C      D    67_B     2.964     0    0.538   1.311     7.135   48.571   40.536
LGA    F    68_C      F    68_B     2.176     0    0.087   0.332     2.574   68.810   70.173
LGA    N    69_C      N    69_B     1.506     0    0.032   0.061     1.785   77.143   79.345
LGA    P    70_C      P    70_B     0.917     0    0.013   0.232     1.303   88.214   85.306
LGA    Y    71_C      Y    71_B     0.682     0    0.014   0.147     0.883   90.476   90.476
LGA    G    72_C      G    72_B     1.246     0    0.025   0.025     1.599   79.286   79.286
LGA    L    73_C      L    73_B     1.366     0    0.089   1.337     2.731   79.286   76.488
LGA    S    74_C      S    74_B     1.316     0    0.080   0.101     1.421   81.429   81.429
LGA    G    75_C      G    75_B     0.942     0    0.069   0.069     1.070   88.214   88.214
LGA    Y    76_C      Y    76_B     0.620     0    0.023   0.141     0.907   90.476   90.476
LGA    L    77_C      L    77_B     0.407     0    0.036   0.120     1.306  100.000   94.167
LGA    L    78_C      L    78_B     0.646     0    0.254   1.005     2.486   86.190   81.905
LGA    S    79_C      S    79_B     2.389     0    0.683   0.811     4.654   56.548   63.889
LGA    E    80_C      E    80_B     1.806     0    0.017   1.013     7.990   56.786   39.894
LGA    P    81_C      P    81_B     3.623     0    0.105   0.458     6.406   54.048   41.565
LGA    N    82_C      N    82_B     0.873     0    0.105   0.666     2.903   90.833   85.417
LGA    C    83_C      C    83_B     0.490     0    0.009   0.115     1.339   97.619   93.730
LGA    V    84_C      V    84_B     0.250     0    0.025   0.100     0.310  100.000  100.000
LGA    D    85_C      D    85_B     0.295     0    0.031   0.185     0.867  100.000   98.810
LGA    L    86_C      L    86_B     0.532     0    0.018   0.055     0.726   92.857   92.857
LGA    L    87_C      L    87_B     0.665     0    0.057   0.121     0.938   90.476   90.476
LGA    I    88_C      I    88_B     1.336     0    0.078   0.217     1.710   79.286   79.286
LGA    E    89_C      E    89_B     1.349     0    0.049   0.898     9.497   66.190   37.619
LGA    P    90_C      P    90_B     2.242     0    0.609   0.673     4.153   57.857   56.531
LGA    N    91_C      N    91_B     0.963     0    0.072   0.858     3.500   90.476   77.024
LGA    N    92_C      N    92_B     0.796     0    0.038   0.164     1.418   90.476   85.952
LGA    Y    93_C      Y    93_B     0.551     0    0.041   0.103     0.908   90.476   94.444
LGA    V    94_C      V    94_B     0.775     0    0.019   0.127     1.452   92.857   87.959
LGA    R    95_C      R    95_B     0.643     0    0.041   0.119     1.505   90.476   88.052
LGA    L    96_C      L    96_B     0.533     0    0.039   0.180     0.759   92.857   91.667
LGA    R    97_C      R    97_B     0.561     0    0.014   0.966     5.813   95.238   71.818
LGA    L    98_C      L    98_B     0.461     0    0.033   0.066     0.531  100.000   97.619
LGA    I    99_C      I    99_B     0.599     0    0.029   0.389     1.461   90.476   91.726
LGA    E   100_C      E   100_B     1.033     0    0.054   0.600     1.839   83.690   81.481
LGA    K   101_C      K   101_B     0.970     0    0.116   0.834     3.848   83.810   72.963
LGA    I   102_C      I   102_B     0.694     0    0.023   0.059     0.825   90.476   95.238
LGA    D   103_C      D   103_B     0.882     0    0.029   0.064     0.978   90.476   90.476
LGA    I   104_C      I   104_B     0.620     0    0.022   0.672     1.738   90.476   83.869
LGA    L   105_C      L   105_B     1.122     0    0.032   0.117     2.241   85.952   78.452
LGA    E   106_C      E   106_B     0.863     0    0.065   0.430     2.687   92.857   85.820
LGA    V   107_C      V   107_B     0.183     0    0.021   0.032     0.461  100.000  100.000
LGA    E   108_C      E   108_B     0.419     0    0.046   0.179     1.446  100.000   93.704
LGA    N   109_C      N   109_B     0.522     0    0.014   0.094     0.978   97.619   94.048
LGA    H   110_C      H   110_B     0.386     0    0.030   0.210     0.787  100.000   98.095
LGA    L   111_C      L   111_B     0.427     0    0.053   0.059     0.485  100.000  100.000
LGA    K   112_C      K   112_B     0.395     0    0.090   0.594     2.002   97.619   90.952
LGA    F   113_C      F   113_B     0.396     0    0.032   0.127     0.728  100.000   97.403
LGA    L   114_C      L   114_B     0.335     0    0.038   0.048     0.612   97.619   97.619
LGA    F   115_C      F   115_B     0.751     0    0.129   0.117     1.396   92.857   86.407
LGA    D   116_C      D   116_B     1.496     0    0.053   0.786     5.958   79.286   57.321
LGA    N   117_C      N   117_B     0.974     0    0.622   1.144     4.794   84.048   74.464

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):     1.104          1.183                  1.835           88.853   84.602

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0    116    1.10    92.672    96.635     9.631

LGA_LOCAL      RMSD:   1.104  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.104  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   1.104  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.038244 * X  +  -0.998783 * Y  +  -0.031151 * Z  + -20.148584
  Y_new =  -0.283527 * X  +  -0.040738 * Y  +   0.958098 * Z  + -17.977562
  Z_new =  -0.958201 * X  +  -0.027809 * Y  +  -0.284740 * Z  +  -4.376598 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.436720  1.280647 -3.044237   [DEG:  -82.3180   73.3757 -174.4219 ]
ZXZ: -3.109091  1.859532 -1.599810   [DEG: -178.1378  106.5433  -91.6624 ]
 
# END of job
