==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 20-OCT-10 3PB9 . COMPND 2 MOLECULE: GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.F.HUANG,S.S.LIAW,W.L.HUANG,C.Y.CHIA,Y.C.LO,Y.L.CHEN,A.H.J. . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 1 0 2 0 0 1 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 74 X G 0 0 113 0, 0.0 2,-0.2 0, 0.0 307,-0.1 0.000 360.0 360.0 360.0 7.9 8.6 -20.0 -19.2 2 75 X S - 0 0 55 1,-0.1 3,-0.1 304,-0.0 300,-0.0 -0.556 360.0 -95.0 -83.9 156.6 5.8 -19.0 -16.9 3 76 X L - 0 0 4 -2,-0.2 -1,-0.1 298,-0.1 302,-0.0 -0.441 36.2-112.6 -70.0 141.4 5.6 -20.1 -13.3 4 77 X P > - 0 0 63 0, 0.0 4,-2.8 0, 0.0 3,-0.4 -0.366 37.9-105.2 -58.4 150.8 3.6 -23.1 -12.4 5 78 X E H > S+ 0 0 95 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.866 122.0 51.8 -51.2 -44.4 0.6 -22.0 -10.3 6 79 X A H > S+ 0 0 81 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.870 109.2 46.4 -50.5 -55.6 2.4 -23.5 -7.2 7 80 X R H > S+ 0 0 114 -3,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.970 115.0 52.5 -56.1 -45.0 5.6 -21.6 -7.8 8 81 X L H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.919 108.0 46.1 -65.1 -45.6 3.4 -18.4 -8.4 9 82 X R H X S+ 0 0 103 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.893 113.2 50.8 -70.3 -27.6 1.3 -18.4 -5.3 10 83 X R H X S+ 0 0 91 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.925 109.7 50.6 -69.7 -45.0 4.4 -19.1 -3.2 11 84 X V H >< S+ 0 0 2 -4,-2.7 3,-1.4 1,-0.2 4,-0.5 0.948 112.0 46.5 -56.5 -51.1 6.3 -16.1 -4.8 12 85 X V H >< S+ 0 0 7 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.891 108.1 58.2 -59.5 -33.7 3.3 -13.8 -4.1 13 86 X G H 3< S+ 0 0 61 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.630 93.7 66.0 -73.3 -15.6 3.2 -15.2 -0.6 14 87 X Q T << S+ 0 0 55 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.611 82.9 95.9 -78.4 -16.0 6.8 -14.1 0.0 15 88 X L < - 0 0 23 -3,-1.4 109,-0.1 -4,-0.5 108,-0.0 -0.503 61.8-156.9 -71.2 151.2 5.8 -10.4 -0.3 16 89 X D > - 0 0 67 -2,-0.2 4,-2.6 1,-0.1 3,-0.3 -0.905 5.0-166.4-130.7 102.7 5.0 -8.5 2.9 17 90 X P H > S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.830 89.6 51.7 -62.5 -34.8 2.8 -5.6 2.3 18 91 X Q H >>S+ 0 0 122 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.861 109.5 50.6 -69.0 -36.1 3.4 -4.1 5.8 19 92 X R H >>S+ 0 0 55 -3,-0.3 4,-1.8 2,-0.2 5,-1.3 0.944 111.0 48.8 -61.8 -51.4 7.2 -4.3 5.2 20 93 X L H X>S+ 0 0 1 -4,-2.6 5,-2.3 3,-0.2 4,-0.7 0.938 118.7 39.9 -50.3 -52.0 6.8 -2.6 1.9 21 94 X W H <>S+ 0 0 28 -4,-2.3 5,-2.5 3,-0.2 -2,-0.2 0.926 129.2 23.9 -69.8 -46.5 4.7 0.2 3.4 22 95 X S H <5S+ 0 0 49 -4,-2.8 -3,-0.2 3,-0.2 -2,-0.2 0.833 128.5 37.5 -92.4 -39.0 6.4 0.8 6.7 23 96 X T H <>4 - 0 0 18 64,-0.2 3,-2.4 1,-0.1 6,-0.4 -0.399 57.6 -75.0 -72.6 150.8 15.7 17.5 -3.3 34 107 X P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 41,-0.1 -0.239 118.7 13.4 -54.0 134.6 19.3 17.2 -4.7 35 108 X G T 3 S+ 0 0 53 39,-0.4 40,-0.1 1,-0.3 -2,-0.1 0.236 98.5 125.5 84.7 -9.3 21.9 18.4 -2.2 36 109 X S S <> S- 0 0 23 -3,-2.4 4,-2.3 1,-0.1 -1,-0.3 -0.411 72.4-119.1 -78.3 159.5 19.5 18.5 0.7 37 110 X P H > S+ 0 0 89 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.894 116.3 55.8 -57.7 -40.4 20.0 16.7 4.0 38 111 X G H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 106.6 49.2 -61.8 -41.9 16.9 14.7 3.4 39 112 X N H > S+ 0 0 1 -6,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.923 111.8 49.3 -61.0 -44.4 18.2 13.5 0.0 40 113 X L H X S+ 0 0 82 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.917 111.4 49.2 -59.3 -45.3 21.5 12.5 1.7 41 114 X Q H X S+ 0 0 126 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.888 111.3 48.6 -64.7 -41.6 19.6 10.7 4.4 42 115 X V H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.933 110.2 52.7 -63.9 -40.5 17.4 8.8 1.9 43 116 X R H X S+ 0 0 28 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.940 111.1 45.9 -56.3 -46.8 20.5 7.9 -0.0 44 117 X K H X S+ 0 0 110 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.871 111.2 53.5 -67.4 -36.4 22.1 6.4 3.1 45 118 X F H X S+ 0 0 54 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.912 110.6 46.4 -61.6 -47.0 18.9 4.6 3.9 46 119 X L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.947 114.0 48.7 -60.7 -46.9 18.8 3.0 0.5 47 120 X E H X S+ 0 0 8 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.921 114.1 43.9 -59.6 -49.5 22.4 2.0 0.7 48 121 X A H X S+ 0 0 61 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.893 113.3 51.1 -66.6 -38.4 22.2 0.5 4.1 49 122 X T H X S+ 0 0 21 -4,-2.4 4,-0.6 -5,-0.2 3,-0.4 0.950 112.9 46.2 -64.0 -45.8 18.9 -1.3 3.3 50 123 X L H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 7,-0.5 0.909 110.5 52.2 -63.7 -41.5 20.5 -2.8 0.2 51 124 X R H 3< S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.799 103.5 60.3 -65.7 -22.6 23.7 -3.8 2.0 52 125 X S H 3< S+ 0 0 79 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.623 75.0 113.6 -78.9 -18.5 21.6 -5.6 4.7 53 126 X L S X< S- 0 0 7 -3,-1.1 3,-1.9 -4,-0.6 4,-0.3 -0.349 71.6-133.2 -56.0 133.9 20.1 -8.0 2.1 54 127 X T T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.1 72,-0.1 0.814 98.1 73.9 -66.1 -24.7 21.3 -11.5 2.9 55 128 X A T 3 S- 0 0 9 1,-0.1 -1,-0.3 81,-0.0 -2,-0.1 0.661 105.0-123.7 -60.3 -21.0 22.2 -12.2 -0.7 56 129 X G < - 0 0 40 -3,-1.9 -2,-0.1 -6,-0.2 -5,-0.1 0.974 32.5-161.8 80.1 55.9 25.2 -9.9 -0.3 57 130 X W - 0 0 17 -7,-0.5 2,-0.5 -4,-0.3 25,-0.2 -0.331 22.2-116.9 -65.2 150.9 24.7 -7.3 -3.1 58 131 X H E -A 81 0A 71 23,-2.6 23,-2.9 -2,-0.0 2,-0.4 -0.804 39.2-172.5 -84.0 125.4 27.5 -5.1 -4.4 59 132 X V E +A 80 0A 15 -2,-0.5 2,-0.3 21,-0.2 21,-0.2 -0.987 10.8 162.7-127.2 125.5 26.4 -1.6 -3.5 60 133 X E E -A 79 0A 68 19,-2.5 19,-2.7 -2,-0.4 2,-0.3 -0.989 29.2-130.4-140.9 150.0 28.2 1.6 -4.7 61 134 X L E -A 78 0A 51 -2,-0.3 17,-0.2 17,-0.2 15,-0.0 -0.782 5.0-151.2 -91.5 148.0 27.5 5.3 -5.0 62 135 X D E -A 77 0A 9 15,-2.5 15,-2.2 -2,-0.3 2,-0.3 -0.898 28.1-176.4-111.8 90.2 28.2 7.3 -8.2 63 136 X P E +A 76 0A 85 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.721 11.0 152.7 -90.6 143.6 28.8 10.8 -6.6 64 137 X F E -A 75 0A 26 11,-2.3 11,-3.1 -2,-0.3 2,-0.4 -0.976 37.2-127.5-158.9 160.6 29.4 13.9 -8.8 65 138 X T E -A 74 0A 89 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.962 30.7-179.9-112.9 132.3 29.0 17.6 -8.7 66 139 X A E -A 73 0A 22 7,-2.6 7,-2.3 -2,-0.4 2,-0.2 -0.950 32.0-105.8-130.7 153.0 27.2 19.3 -11.6 67 140 X S + 0 0 106 -2,-0.3 -2,-0.0 5,-0.2 0, 0.0 -0.539 45.5 169.4 -71.1 138.9 26.3 22.8 -12.5 68 141 X T > - 0 0 19 3,-0.4 3,-2.2 -2,-0.2 94,-0.1 -0.892 53.9 -92.1-139.5 173.0 22.6 23.6 -12.0 69 142 X P T 3 S+ 0 0 70 0, 0.0 -2,-0.0 0, 0.0 93,-0.0 0.664 128.3 53.0 -63.4 -14.8 20.4 26.7 -12.0 70 143 X L T 3 S- 0 0 80 1,-0.5 -3,-0.0 3,-0.0 0, 0.0 0.194 122.7-102.2-100.0 9.9 21.1 26.8 -8.3 71 144 X G S < S- 0 0 28 -3,-2.2 -1,-0.5 2,-0.1 -3,-0.4 -0.464 76.7 -9.0 93.0-171.5 24.8 26.7 -8.7 72 145 X P - 0 0 107 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.356 69.1-176.8 -61.3 136.0 27.0 23.6 -8.1 73 146 X V E -A 66 0A 17 -7,-2.3 -7,-2.6 -2,-0.0 2,-0.4 -0.998 22.9-129.7-134.7 143.5 25.1 20.7 -6.6 74 147 X D E -A 65 0A 98 -2,-0.4 -39,-0.4 -9,-0.2 2,-0.3 -0.757 27.8-175.8 -93.1 131.4 26.3 17.3 -5.5 75 148 X F E -A 64 0A 2 -11,-3.1 -11,-2.3 -2,-0.4 2,-0.3 -0.865 7.7-166.0-120.4 157.1 24.4 14.3 -6.7 76 149 X G E -A 63 0A 0 -2,-0.3 2,-0.4 -13,-0.2 75,-0.1 -0.874 6.8-156.3-152.8 115.6 24.7 10.6 -6.0 77 150 X N E -A 62 0A 0 -15,-2.2 -15,-2.5 -2,-0.3 2,-0.6 -0.745 17.4-137.2 -84.4 139.4 23.3 7.6 -7.8 78 151 X V E -AB 61 148A 0 70,-2.7 70,-2.7 -2,-0.4 2,-0.5 -0.853 20.8-170.5 -98.0 120.6 22.9 4.4 -5.8 79 152 X V E -AB 60 147A 7 -19,-2.7 -19,-2.5 -2,-0.6 2,-0.5 -0.955 4.9-177.5-117.0 112.4 24.0 1.4 -7.9 80 153 X A E -AB 59 146A 0 66,-2.8 66,-2.8 -2,-0.5 2,-0.5 -0.953 1.3-180.0-114.1 119.9 23.2 -2.1 -6.5 81 154 X T E -AB 58 145A 14 -23,-2.9 -23,-2.6 -2,-0.5 64,-0.2 -0.983 17.9-154.7-123.0 119.4 24.4 -5.1 -8.5 82 155 X L S S+ 0 0 3 62,-3.0 -1,-0.2 -2,-0.5 63,-0.1 0.957 88.7 17.6 -61.9 -53.9 23.6 -8.5 -7.1 83 156 X D > - 0 0 5 61,-0.3 3,-1.6 1,-0.1 -1,-0.3 -0.871 63.2-173.8-122.6 98.0 26.5 -10.4 -8.8 84 157 X P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.673 84.8 63.8 -63.6 -15.9 29.2 -8.0 -10.1 85 158 X R T 3 S+ 0 0 166 3,-0.0 95,-0.1 2,-0.0 -2,-0.0 0.691 81.5 105.9 -79.2 -19.2 30.9 -11.1 -11.7 86 159 X A S < S- 0 0 9 -3,-1.6 94,-0.1 1,-0.1 56,-0.1 -0.246 72.4-132.1 -70.6 149.8 28.0 -11.7 -14.0 87 160 X A S S- 0 0 37 54,-0.3 95,-0.4 1,-0.1 2,-0.3 0.846 82.6 -0.8 -60.2 -43.8 28.2 -10.9 -17.7 88 161 X R E -c 142 0A 86 53,-1.1 55,-2.7 93,-0.1 2,-0.3 -0.918 62.9-156.3-149.3 170.0 24.8 -9.1 -17.9 89 162 X H E -cd 143 189A 8 99,-2.4 101,-2.7 -2,-0.3 102,-0.9 -0.998 27.3-116.9-152.2 147.0 21.8 -8.1 -15.8 90 163 X L E -cd 144 191A 0 53,-2.4 55,-2.6 -2,-0.3 2,-0.5 -0.778 41.5-151.5 -70.7 128.4 18.2 -7.1 -15.8 91 164 X T E -cd 145 192A 0 100,-2.9 102,-3.2 -2,-0.5 2,-0.4 -0.952 13.7-169.5-110.7 124.2 18.3 -3.5 -14.5 92 165 X L E -cd 146 193A 6 53,-2.8 55,-2.5 -2,-0.5 2,-0.3 -0.940 18.4-177.6-107.4 136.3 15.3 -2.0 -12.6 93 166 X A E +cd 147 194A 0 100,-2.5 102,-3.0 -2,-0.4 2,-0.3 -0.918 17.8 155.4-137.8 158.1 15.5 1.7 -12.1 94 167 X C E -c 148 0A 0 53,-1.7 55,-3.1 -2,-0.3 2,-0.4 -0.938 39.9-101.6-164.9 172.4 13.7 4.6 -10.5 95 168 X H E -c 149 0A 1 100,-0.3 23,-0.2 -2,-0.3 55,-0.2 -0.911 19.1-169.6-107.1 139.2 14.6 8.1 -9.2 96 169 X Y + 0 0 0 53,-2.5 54,-0.2 -2,-0.4 -1,-0.1 0.555 58.5 93.6-101.8 -11.5 15.0 8.8 -5.5 97 170 X D - 0 0 0 52,-0.9 2,-0.4 -55,-0.0 -64,-0.2 -0.371 67.0-136.1 -72.7 158.1 15.1 12.6 -5.6 98 171 X S - 0 0 0 -66,-1.5 2,-0.2 -2,-0.1 16,-0.1 -0.909 29.3 -98.3-110.8 149.6 12.0 14.7 -5.1 99 172 X K - 0 0 37 -2,-0.4 2,-0.4 14,-0.3 9,-0.2 -0.401 37.5-119.4 -67.1 133.7 11.2 17.8 -7.2 100 173 X L - 0 0 54 54,-0.5 -1,-0.1 -2,-0.2 54,-0.0 -0.543 32.8-179.4 -76.1 128.0 12.1 21.1 -5.8 101 174 X F - 0 0 75 -2,-0.4 3,-0.1 7,-0.1 7,-0.1 -0.921 34.5 -97.2-118.1 154.3 9.3 23.5 -5.2 102 175 X P - 0 0 100 0, 0.0 3,-0.4 0, 0.0 -1,-0.0 -0.292 49.4 -89.1 -67.6 154.9 9.7 27.1 -3.8 103 176 X P S S+ 0 0 133 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.121 97.3 65.0 -58.1 156.1 9.0 27.7 -0.1 104 177 X G S S+ 0 0 81 1,-0.4 2,-0.2 -3,-0.1 0, 0.0 0.436 84.9 75.4 112.4 6.6 5.6 28.6 1.1 105 178 X S S S- 0 0 90 -3,-0.4 -1,-0.4 -4,-0.1 3,-0.1 -0.756 94.1 -68.5-130.4 176.0 3.5 25.5 0.4 106 179 X T S S- 0 0 91 -2,-0.2 -1,-0.1 1,-0.1 175,-0.0 -0.471 71.0 -94.3 -60.0 138.6 3.0 22.1 1.8 107 180 X P - 0 0 83 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.233 32.3-125.6 -63.3 141.0 6.2 20.2 1.1 108 181 X F + 0 0 9 -9,-0.2 -7,-0.1 1,-0.1 175,-0.1 -0.793 33.7 168.3 -88.9 118.8 6.4 18.0 -2.0 109 182 X V - 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