==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-NOV-08 3FEC . COMPND 2 MOLECULE: GLUTAMATE CARBOXYPEPTIDASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.BARINKA,J.LUBKOWSKI,K.HLOUCHOVA . 690 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 31 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 1 1 2 5 0 1 1 0 0 0 0 0 3 0 3 0 1 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 1 1 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 . 6 2 1 0 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 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 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 46 A S > 0 0 99 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 167.5 21.7 79.6 13.5 2 47 A I H > + 0 0 49 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 360.0 54.4 -63.8 -41.6 19.0 77.6 15.2 3 48 A R H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 106.9 50.3 -60.1 -41.3 20.8 74.4 14.2 4 49 A W H > S+ 0 0 170 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.917 110.5 49.8 -64.9 -37.3 24.0 75.6 15.8 5 50 A K H X S+ 0 0 111 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.879 111.0 50.4 -65.1 -39.4 22.0 76.4 19.0 6 51 A L H X S+ 0 0 0 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.951 116.9 39.6 -60.4 -50.2 20.4 73.0 19.0 7 52 A V H >< S+ 0 0 12 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.925 116.1 48.5 -68.3 -45.0 23.8 71.3 18.6 8 53 A S H 3< S+ 0 0 41 -4,-3.1 -1,-0.2 1,-0.2 -3,-0.2 0.771 103.0 63.0 -73.4 -22.6 25.8 73.5 21.0 9 54 A E H 3< S+ 0 0 59 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.783 83.3 93.2 -68.5 -30.9 23.2 73.2 23.8 10 55 A M << - 0 0 2 -3,-0.8 2,-0.4 -4,-0.7 3,-0.1 -0.445 64.4-159.0 -68.2 142.2 23.8 69.4 24.0 11 56 A K > - 0 0 93 1,-0.1 4,-1.8 -2,-0.1 3,-0.4 -0.981 26.4-141.4-131.8 135.6 26.4 68.5 26.7 12 57 A A H > S+ 0 0 19 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.895 106.2 56.9 -54.0 -44.2 28.6 65.4 27.3 13 58 A E H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.832 105.3 51.2 -63.4 -33.0 28.0 65.7 31.0 14 59 A N H > S+ 0 0 53 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.905 108.5 49.8 -68.6 -42.8 24.2 65.5 30.5 15 60 A I H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.929 111.6 51.3 -58.0 -42.1 24.4 62.4 28.4 16 61 A K H X S+ 0 0 54 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.932 110.6 46.7 -61.0 -49.3 26.6 60.9 31.2 17 62 A S H X S+ 0 0 64 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.920 113.3 48.9 -62.9 -42.1 24.1 61.8 33.9 18 63 A F H X S+ 0 0 24 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.965 112.8 48.4 -59.6 -49.7 21.2 60.4 31.9 19 64 A L H >X S+ 0 0 0 -4,-3.1 3,-0.7 1,-0.2 4,-0.6 0.931 111.3 49.0 -58.4 -43.4 23.1 57.1 31.2 20 65 A R H >< S+ 0 0 56 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.910 110.5 51.6 -64.3 -39.0 24.1 56.7 34.8 21 66 A S H 3< S+ 0 0 46 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.719 112.9 44.5 -68.9 -23.6 20.5 57.2 36.0 22 67 A F H << S+ 0 0 6 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.373 108.3 56.6-101.7 2.8 19.0 54.6 33.5 23 68 A T S << S+ 0 0 0 -3,-1.0 478,-0.4 -4,-0.6 -1,-0.1 0.168 73.5 93.3-122.1 14.8 21.6 51.8 34.1 24 69 A K S S+ 0 0 122 -3,-0.2 -1,-0.1 -4,-0.2 -2,-0.1 0.778 95.2 25.5 -76.4 -30.3 21.4 51.2 37.9 25 70 A L S S- 0 0 71 300,-0.1 -1,-0.1 299,-0.1 299,-0.1 -0.920 94.1 -91.4-132.7 157.7 18.9 48.4 37.5 26 71 A P - 0 0 4 0, 0.0 299,-0.2 0, 0.0 298,-0.1 -0.303 30.4-166.6 -65.8 151.7 17.9 45.9 34.8 27 72 A H + 0 0 2 297,-1.8 295,-2.1 6,-0.1 2,-0.1 -0.373 15.3 171.5-143.1 66.3 15.1 47.1 32.5 28 73 A L > - 0 0 12 293,-0.2 3,-1.8 295,-0.2 6,-0.5 -0.422 44.9 -91.2 -75.9 144.1 14.0 44.0 30.5 29 74 A A T 3 S+ 0 0 0 293,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.244 110.2 21.0 -61.3 143.1 10.8 44.5 28.4 30 75 A G T 3 S+ 0 0 28 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.434 99.1 113.5 84.6 -2.2 7.6 43.6 30.1 31 76 A T S <> S- 0 0 40 -3,-1.8 4,-1.3 1,-0.1 3,-0.4 -0.649 78.8-111.1-102.7 161.5 9.0 44.1 33.6 32 77 A E H > S+ 0 0 122 -2,-0.2 4,-2.8 1,-0.2 3,-0.5 0.889 113.9 58.4 -57.2 -40.6 8.1 46.7 36.2 33 78 A Q H > S+ 0 0 60 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.887 104.7 49.6 -62.6 -35.6 11.5 48.4 36.0 34 79 A N H > S+ 0 0 0 -6,-0.5 4,-1.4 -3,-0.4 -1,-0.3 0.758 110.5 50.9 -77.2 -21.4 11.1 49.1 32.2 35 80 A F H X S+ 0 0 45 -4,-1.3 4,-2.3 -3,-0.5 -2,-0.2 0.901 109.5 50.8 -72.8 -43.3 7.6 50.6 32.9 36 81 A L H X S+ 0 0 67 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.904 108.2 52.3 -58.6 -40.7 9.1 52.8 35.6 37 82 A L H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.902 107.3 53.1 -64.1 -39.3 11.8 53.9 33.1 38 83 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.938 109.0 49.1 -57.2 -46.3 9.0 54.8 30.6 39 84 A K H X S+ 0 0 80 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.868 110.3 50.7 -61.9 -39.2 7.3 56.9 33.2 40 85 A K H X S+ 0 0 97 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.935 111.4 47.9 -64.7 -43.7 10.6 58.7 34.0 41 86 A I H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.927 111.8 49.9 -61.7 -43.6 11.2 59.4 30.3 42 87 A Q H X S+ 0 0 37 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.913 110.1 50.1 -62.3 -45.0 7.6 60.7 29.9 43 88 A T H X S+ 0 0 92 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.928 112.2 49.5 -59.0 -43.0 8.0 63.0 33.0 44 89 A Q H X S+ 0 0 22 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.945 107.9 51.6 -63.6 -43.5 11.2 64.3 31.5 45 90 A W H X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 4,-0.8 0.902 110.5 48.9 -62.9 -36.8 9.7 65.0 28.1 46 91 A K H ><5S+ 0 0 124 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.920 111.3 50.5 -65.0 -42.9 6.9 67.0 29.7 47 92 A K H 3<5S+ 0 0 156 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.891 105.0 57.2 -60.8 -39.3 9.5 69.0 31.7 48 93 A F H 3<5S- 0 0 24 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.695 122.4-106.7 -66.6 -18.5 11.5 69.7 28.5 49 94 A G T <<5 + 0 0 37 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.595 58.8 162.0 105.3 12.6 8.3 71.3 27.0 50 95 A L < - 0 0 14 -5,-2.1 -1,-0.2 1,-0.1 254,-0.2 -0.326 45.7-123.9 -60.3 152.9 7.2 68.8 24.5 51 96 A D S S+ 0 0 74 252,-1.9 2,-0.3 1,-0.2 253,-0.2 0.806 88.1 0.6 -69.9 -31.6 3.6 69.2 23.4 52 97 A S E -A 303 0A 25 251,-1.1 251,-1.4 -7,-0.1 2,-0.2 -0.980 53.0-177.9-148.0 160.9 2.6 65.7 24.3 53 98 A A E +A 302 0A 3 -2,-0.3 2,-0.3 249,-0.2 249,-0.3 -0.723 23.6 168.8-161.8 103.3 4.2 62.6 25.9 54 99 A K E -A 301 0A 127 247,-2.8 247,-3.1 -2,-0.2 2,-0.5 -0.896 35.5-121.7-121.3 152.2 1.9 59.6 26.2 55 100 A L E -A 300 0A 44 -2,-0.3 2,-0.5 245,-0.2 245,-0.2 -0.798 26.7-168.5 -90.3 129.7 2.3 55.9 27.0 56 101 A V E -A 299 0A 32 243,-2.7 243,-3.0 -2,-0.5 2,-0.2 -0.984 11.5-161.9-119.4 118.6 1.0 53.7 24.2 57 102 A H E -A 298 0A 53 -2,-0.5 2,-0.3 241,-0.2 241,-0.2 -0.620 16.7-179.5-110.3 159.8 0.6 50.0 25.1 58 103 A Y E -A 297 0A 0 239,-1.7 239,-2.8 -2,-0.2 2,-0.6 -0.952 26.6-130.7-142.9 157.0 0.3 46.7 23.3 59 104 A D E +A 296 0A 25 157,-2.1 2,-0.3 -2,-0.3 237,-0.2 -0.955 42.7 164.9-116.6 107.9 -0.1 43.1 24.6 60 105 A V E -A 295 0A 0 235,-2.5 235,-3.0 -2,-0.6 2,-0.5 -0.815 43.9 -89.8-126.8 161.2 2.4 41.0 22.8 61 106 A L E +A 294 0A 4 -2,-0.3 233,-0.2 233,-0.2 2,-0.2 -0.624 49.3 172.6 -77.2 119.2 4.0 37.6 23.1 62 107 A L E -A 293 0A 0 231,-2.6 231,-2.3 -2,-0.5 2,-0.3 -0.645 19.2-141.1-112.7 178.8 7.2 37.7 25.2 63 108 A S E +A 292 0A 0 229,-0.3 229,-0.2 -2,-0.2 42,-0.1 -0.994 21.0 168.8-149.1 131.9 9.4 34.9 26.6 64 109 A Y E -A 291 0A 44 227,-2.2 227,-3.3 -2,-0.3 40,-0.0 -0.968 38.8 -94.4-142.0 154.0 11.1 34.4 29.9 65 110 A P - 0 0 16 0, 0.0 2,-0.7 0, 0.0 225,-0.2 -0.332 44.2-109.3 -61.7 152.5 12.9 31.6 31.8 66 111 A N B > -I 69 0B 46 3,-0.5 3,-1.6 1,-0.1 223,-0.1 -0.796 22.3-148.9 -85.1 117.0 10.9 29.7 34.3 67 112 A E T 3 S+ 0 0 195 -2,-0.7 3,-0.2 1,-0.3 -1,-0.1 0.725 96.7 42.8 -60.0 -20.8 12.2 30.8 37.7 68 113 A T T 3 S+ 0 0 131 1,-0.2 -1,-0.3 -3,-0.0 2,-0.1 0.255 115.5 46.3-113.5 14.2 11.3 27.3 39.1 69 114 A N B < S-I 66 0B 60 -3,-1.6 -3,-0.5 220,-0.1 220,-0.3 -0.604 83.5-158.9-148.6 82.4 12.6 25.1 36.2 70 115 A A - 0 0 69 -3,-0.2 2,-0.2 -2,-0.1 -3,-0.1 -0.287 15.5-118.3 -72.4 143.5 16.0 26.5 35.3 71 116 A N + 0 0 18 31,-0.2 2,-0.3 -5,-0.1 217,-0.2 -0.569 43.5 152.9 -75.1 152.1 17.6 25.8 31.9 72 117 A Y E -J 287 0C 42 215,-2.1 215,-2.5 -2,-0.2 2,-0.4 -0.977 36.6-131.2-164.3 170.4 20.8 23.9 31.6 73 118 A I E -J 286 0C 0 -2,-0.3 13,-2.4 213,-0.2 2,-0.3 -0.971 30.4-177.6-123.1 144.5 22.9 21.7 29.3 74 119 A S E -JK 285 85C 0 211,-2.4 211,-2.9 -2,-0.4 2,-0.4 -0.915 23.9-137.9-138.2 164.0 24.5 18.5 30.6 75 120 A I E -JK 284 84C 0 9,-2.3 8,-2.9 -2,-0.3 9,-1.4 -0.992 25.2-169.3-118.0 133.2 26.7 15.6 29.6 76 121 A V E -JK 283 82C 0 207,-2.5 207,-2.3 -2,-0.4 206,-2.0 -0.849 15.8-129.5-120.2 156.7 25.9 12.1 30.7 77 122 A D > - 0 0 20 4,-2.0 3,-1.6 -2,-0.3 204,-0.1 -0.245 45.7 -86.5 -86.4-175.1 27.7 8.8 30.7 78 123 A E T 3 S+ 0 0 93 1,-0.3 203,-0.0 2,-0.1 -1,-0.0 0.598 128.8 58.5 -75.4 -5.4 26.2 5.6 29.3 79 124 A H T 3 S- 0 0 134 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.157 119.3-109.1-102.4 17.3 24.6 4.9 32.7 80 125 A E < + 0 0 132 -3,-1.6 2,-0.4 1,-0.2 -2,-0.1 0.617 69.3 148.7 60.9 19.8 22.7 8.2 32.5 81 126 A T - 0 0 75 199,-0.1 -4,-2.0 1,-0.1 2,-0.4 -0.698 52.5-118.5 -85.2 134.1 24.8 9.7 35.2 82 127 A E E +K 76 0C 91 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.532 36.2 171.3 -71.5 120.0 25.3 13.4 35.0 83 128 A I E + 0 0 65 -8,-2.9 2,-0.3 -2,-0.4 -7,-0.2 0.724 68.2 10.8-100.0 -33.1 29.0 14.1 34.6 84 129 A F E +K 75 0C 37 -9,-1.4 -9,-2.3 2,-0.0 -1,-0.4 -0.991 62.6 178.8-148.0 146.1 28.8 17.9 33.8 85 130 A K E -K 74 0C 95 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.1 -0.995 30.1-113.6-146.9 139.9 26.1 20.5 34.0 86 131 A T 0 0 13 -13,-2.4 153,-0.0 -2,-0.3 -2,-0.0 -0.420 360.0 360.0 -70.2 152.3 26.0 24.2 33.3 87 132 A S 0 0 164 -2,-0.1 -1,-0.1 -15,-0.1 -16,-0.0 0.606 360.0 360.0-104.1 360.0 25.4 26.6 36.2 88 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 89 137 A P 0 0 93 0, 0.0 3,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 149.3 26.7 40.0 38.9 90 138 A P > - 0 0 2 0, 0.0 3,-2.4 0, 0.0 4,-0.0 -0.240 360.0 -80.7 -64.0 154.6 29.2 42.7 38.0 91 139 A D T 3 S+ 0 0 102 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.270 120.9 26.1 -55.0 132.4 31.1 44.4 40.8 92 140 A G T 3 S+ 0 0 55 -3,-0.1 -1,-0.3 0, 0.0 3,-0.2 0.258 109.6 75.2 96.0 -8.4 29.0 47.0 42.5 93 141 A Y X + 0 0 12 -3,-2.4 3,-1.6 1,-0.1 -2,-0.1 -0.007 51.2 121.3-121.9 25.4 25.7 45.3 41.5 94 142 A E T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -5,-0.1 -3,-0.1 0.766 74.2 54.2 -59.2 -28.9 25.8 42.4 44.0 95 143 A N T 3 S+ 0 0 144 -3,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.406 77.6 111.3 -87.6 1.6 22.5 43.6 45.5 96 144 A V < - 0 0 17 -3,-1.6 3,-0.3 1,-0.1 -3,-0.1 -0.672 44.8-175.5 -81.9 126.6 20.5 43.6 42.2 97 145 A T + 0 0 135 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.0 0.586 63.2 57.9-104.4 -14.0 18.0 40.8 42.5 98 146 A N + 0 0 78 2,-0.1 2,-0.5 -72,-0.0 -1,-0.2 -0.213 57.9 143.7-120.9 38.8 16.1 40.5 39.1 99 147 A I - 0 0 40 -3,-0.3 225,-0.1 -73,-0.0 398,-0.0 -0.736 52.2-126.9 -75.6 125.2 18.9 39.9 36.6 100 148 A V - 0 0 18 -2,-0.5 3,-0.1 223,-0.4 -2,-0.1 -0.534 25.4-118.7 -74.6 133.4 17.3 37.4 34.0 101 149 A P - 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