==== 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 12-MAR-09 3GLJ . COMPND 2 MOLECULE: CARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR D.FERNANDEZ . 395 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 9.1 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 . 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 . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 0 0 2 0 2 1 0 1 1 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 2 0 0 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 . 0 0 2 2 0 1 1 0 0 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 1 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 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 7AA F > 0 0 88 0, 0.0 3,-2.1 0, 0.0 76,-0.9 0.000 360.0 360.0 360.0 12.2 -14.7 9.9 -23.6 2 8AA E T 3 + 0 0 116 1,-0.3 50,-0.2 74,-0.2 3,-0.1 -0.363 360.0 3.6 -56.7 124.5 -18.3 10.2 -24.8 3 9AA G T 3 S+ 0 0 26 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.553 93.8 139.0 76.4 8.1 -18.6 9.1 -28.5 4 10AA E < - 0 0 23 -3,-2.1 72,-2.2 49,-0.0 2,-0.3 -0.561 34.5-161.0 -79.1 151.5 -14.9 8.0 -28.7 5 11AA K E -A 50 0A 31 45,-1.3 45,-2.4 70,-0.2 2,-0.5 -0.914 16.8-138.2-130.4 157.8 -14.3 4.8 -30.6 6 12AA V E -AB 49 73A 0 67,-1.8 66,-2.2 -2,-0.3 67,-1.7 -0.986 25.9-162.9-116.4 125.8 -11.5 2.2 -30.8 7 13AA F E -AB 48 71A 0 41,-2.8 41,-2.1 -2,-0.5 2,-0.4 -0.749 12.2-152.2-105.0 152.5 -10.8 1.0 -34.3 8 14AA R E -AB 47 70A 44 62,-2.5 62,-2.0 -2,-0.3 2,-0.4 -0.998 16.8-167.4-119.8 130.2 -8.9 -2.1 -35.6 9 15AA V E -AB 46 69A 0 37,-2.6 37,-2.2 -2,-0.4 2,-0.6 -0.929 18.4-131.8-117.9 138.0 -7.3 -1.9 -39.0 10 16AA N E -A 45 0A 71 58,-2.8 2,-0.6 -2,-0.4 58,-0.4 -0.783 20.5-162.8 -83.3 119.7 -5.8 -4.6 -41.2 11 17AA V E +A 44 0A 0 33,-2.8 33,-1.6 -2,-0.6 32,-0.4 -0.921 17.5 166.8-106.4 125.4 -2.4 -3.8 -42.4 12 18AA E - 0 0 85 -2,-0.6 31,-0.6 1,-0.2 2,-0.2 0.876 59.9 -0.1 -97.8 -54.1 -1.2 -5.9 -45.4 13 19AA D S > S- 0 0 67 29,-0.2 4,-1.4 30,-0.1 3,-0.5 -0.645 84.5 -81.1-134.9-177.1 1.8 -4.2 -46.8 14 20AA E H > S+ 0 0 144 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.814 120.8 64.5 -66.5 -28.9 4.1 -1.1 -46.4 15 21AA N H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.940 102.3 48.8 -56.7 -48.2 1.6 1.1 -48.3 16 22AA D H > S+ 0 0 20 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.874 109.1 55.2 -58.9 -38.0 -0.9 0.5 -45.5 17 23AA I H X S+ 0 0 37 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.957 108.8 44.0 -62.1 -50.7 1.7 1.4 -42.9 18 24AA S H X S+ 0 0 50 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.870 109.8 58.6 -67.3 -29.8 2.6 4.7 -44.3 19 25AA L H X S+ 0 0 17 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.928 107.2 46.5 -60.2 -43.7 -1.1 5.5 -44.8 20 26AA L H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.880 109.6 54.5 -66.4 -35.5 -1.6 5.0 -41.0 21 27AA H H X S+ 0 0 95 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.925 109.8 47.1 -61.9 -43.1 1.4 7.2 -40.4 22 28AA E H X S+ 0 0 100 -4,-2.5 4,-0.9 2,-0.2 3,-0.4 0.909 111.0 51.3 -66.2 -41.0 -0.1 9.9 -42.5 23 29AA L H >X S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 3,-1.3 0.950 109.3 50.6 -57.5 -48.7 -3.5 9.5 -40.7 24 30AA A H 3< S+ 0 0 29 -4,-2.9 5,-0.3 1,-0.3 -1,-0.2 0.715 107.6 54.0 -64.2 -20.9 -1.6 9.8 -37.3 25 31AA S H 3< S+ 0 0 86 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.680 112.5 44.6 -82.2 -16.9 0.0 13.0 -38.6 26 32AA T H << S+ 0 0 93 -3,-1.3 2,-0.3 -4,-0.9 -2,-0.2 0.714 122.3 24.0-101.3 -29.3 -3.4 14.5 -39.4 27 33AA R S < S- 0 0 88 -4,-1.9 2,-0.8 -5,-0.1 -1,-0.2 -0.978 88.9-100.4-136.7 150.5 -5.4 13.6 -36.3 28 34AA Q - 0 0 137 -2,-0.3 23,-0.5 -3,-0.1 2,-0.4 -0.621 47.4-173.2 -74.1 109.6 -4.3 12.8 -32.7 29 35AA I E -C 50 0A 25 -2,-0.8 2,-0.9 -5,-0.3 21,-0.2 -0.895 20.5-149.7-111.5 131.7 -4.4 9.0 -32.5 30 36AA D E -C 49 0A 20 19,-2.1 19,-2.8 -2,-0.4 2,-0.3 -0.852 20.8-145.9 -99.6 100.3 -3.9 7.0 -29.3 31 37AA F E +C 48 0A 19 -2,-0.9 17,-0.3 4,-0.3 -2,-0.0 -0.523 23.5 175.0 -71.2 126.5 -2.4 3.7 -30.4 32 38AA W E + 0 0 6 15,-2.5 16,-0.2 1,-0.3 -1,-0.2 0.813 66.2 48.2 -95.3 -44.0 -3.5 0.7 -28.3 33 39AA K E S+C 47 0A 42 14,-1.7 14,-2.5 2,-0.1 -1,-0.3 -0.931 123.3 10.6-147.6 115.9 -1.8 -2.1 -30.2 34 40AA P S S- 0 0 16 0, 0.0 13,-0.1 0, 0.0 6,-0.1 0.653 93.1-113.9 -74.7-159.3 1.1 -1.7 -30.8 35 41AA D S S+ 0 0 30 -2,-0.2 -4,-0.3 1,-0.1 2,-0.3 0.616 87.5 3.9 -79.2 -15.6 2.3 1.3 -28.9 36 42AA S S > S- 0 0 14 -6,-0.1 3,-1.9 213,-0.1 4,-0.3 -0.986 73.5-103.3-163.7 159.7 2.9 3.6 -31.9 37 43AA V G > S+ 0 0 20 -2,-0.3 3,-1.1 1,-0.3 -16,-0.1 0.804 119.1 62.3 -56.8 -28.1 2.7 3.8 -35.7 38 44AA T G 3 S+ 0 0 68 1,-0.2 -1,-0.3 203,-0.1 203,-0.2 0.669 97.6 55.2 -75.7 -16.3 6.4 3.2 -35.8 39 45AA Q G < S+ 0 0 3 -3,-1.9 296,-2.6 202,-0.1 2,-0.3 0.380 82.2 118.1 -94.2 1.7 6.0 -0.3 -34.1 40 46AA I < - 0 0 5 -3,-1.1 294,-0.1 -4,-0.3 6,-0.1 -0.544 45.8-165.0 -75.7 129.7 3.6 -1.5 -36.8 41 47AA K - 0 0 60 -2,-0.3 3,-0.2 292,-0.3 -30,-0.1 -0.784 29.3 -90.0-109.7 158.7 4.7 -4.5 -39.0 42 48AA P S S+ 0 0 56 0, 0.0 -29,-0.2 0, 0.0 -30,-0.2 -0.250 106.2 24.6 -59.4 151.5 3.3 -5.8 -42.3 43 49AA H S S+ 0 0 140 -31,-0.6 2,-0.3 -32,-0.4 -31,-0.2 0.964 100.6 103.5 53.0 63.2 0.5 -8.5 -42.0 44 50AA S E -A 11 0A 26 -33,-1.6 -33,-2.8 -3,-0.2 2,-0.3 -0.913 67.7-110.3-152.7 174.4 -0.8 -7.5 -38.6 45 51AA T E -A 10 0A 43 -2,-0.3 2,-0.4 -35,-0.2 -35,-0.2 -0.896 24.2-154.8-113.9 152.2 -3.8 -5.7 -37.1 46 52AA V E -A 9 0A 0 -37,-2.2 -37,-2.6 -2,-0.3 2,-0.4 -0.991 1.5-158.1-130.8 131.4 -3.6 -2.3 -35.3 47 53AA D E +AC 8 33A 0 -14,-2.5 -15,-2.5 -2,-0.4 -14,-1.7 -0.876 19.4 165.0-109.2 140.5 -5.9 -0.9 -32.6 48 54AA F E -AC 7 31A 0 -41,-2.1 -41,-2.8 -2,-0.4 2,-0.3 -0.991 31.3-125.0-156.2 148.4 -6.3 2.8 -31.9 49 55AA R E -AC 6 30A 34 -19,-2.8 -19,-2.1 -2,-0.3 2,-0.4 -0.743 23.9-162.2 -95.7 141.2 -8.6 5.2 -30.1 50 56AA V E -AC 5 29A 0 -45,-2.4 -45,-1.3 -2,-0.3 -21,-0.1 -0.960 20.8-113.4-128.1 136.5 -10.1 8.3 -31.8 51 57AA K >> - 0 0 52 -23,-0.5 3,-1.7 -2,-0.4 4,-0.6 -0.274 30.0-113.0 -66.1 152.7 -11.6 11.5 -30.4 52 58AA A G >4 S+ 0 0 45 1,-0.3 3,-1.1 -50,-0.2 4,-0.4 0.893 117.6 52.8 -52.7 -44.4 -15.3 12.1 -30.9 53 59AA E G 34 S+ 0 0 131 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.594 110.7 49.0 -69.6 -10.0 -14.6 15.1 -33.1 54 60AA D G <> S+ 0 0 12 -3,-1.7 4,-2.7 2,-0.1 5,-0.3 0.430 80.2 97.5-109.1 -3.4 -12.4 13.0 -35.4 55 61AA I H S+ 0 0 123 -4,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.918 115.4 49.8 -66.0 -42.4 -16.0 11.0 -39.3 57 63AA A H > S+ 0 0 30 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 113.6 46.4 -62.9 -43.0 -12.7 12.2 -40.7 58 64AA V H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.943 113.5 47.9 -64.0 -47.8 -10.9 9.0 -39.6 59 65AA E H X S+ 0 0 42 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.931 111.7 50.8 -59.9 -44.4 -13.6 6.8 -41.1 60 66AA D H X S+ 0 0 101 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.905 110.9 49.6 -57.2 -43.6 -13.5 8.8 -44.3 61 67AA F H X S+ 0 0 45 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.944 112.3 46.2 -61.3 -50.1 -9.8 8.4 -44.5 62 68AA L H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 -2,-0.2 0.903 116.4 45.7 -61.6 -42.0 -9.9 4.6 -43.9 63 69AA E H ><5S+ 0 0 104 -4,-2.7 3,-1.4 -5,-0.2 -2,-0.2 0.946 113.3 46.1 -67.1 -49.3 -12.7 4.2 -46.5 64 70AA Q H 3<5S+ 0 0 154 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 115.5 47.2 -71.1 -26.1 -11.3 6.3 -49.3 65 71AA N T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.327 112.2-121.3 -93.4 7.7 -7.8 4.8 -48.9 66 72AA E T < 5 + 0 0 156 -3,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.823 53.0 159.3 56.2 39.6 -9.3 1.2 -48.8 67 73AA L < - 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0 0 27 1,-0.1 11,-0.1 -3,-0.1 285,-0.1 -0.343 46.6-145.8 -61.9 141.4 -17.6 -6.4 -9.5 87 93AA R S S+ 0 0 244 9,-0.1 2,-0.8 283,-0.1 -1,-0.1 0.521 76.3 98.4 -82.9 -8.4 -20.3 -8.2 -7.4 88 94AA V - 0 0 55 8,-0.2 2,-0.7 2,-0.0 -2,-0.1 -0.740 66.5-154.0 -82.5 107.9 -18.1 -7.7 -4.3 89 95AA R + 0 0 221 -2,-0.8 2,-0.3 2,-0.0 -2,-0.1 -0.749 42.1 109.9 -89.4 113.7 -19.4 -4.7 -2.4 90 4 A T - 0 0 66 -2,-0.7 4,-0.1 2,-0.1 -2,-0.0 -0.942 57.7-141.2-172.1 155.1 -16.7 -2.9 -0.3 91 5 A T S S+ 0 0 145 -2,-0.3 2,-0.1 2,-0.1 3,-0.1 0.311 86.0 72.4-104.1 3.7 -14.7 0.3 -0.2 92 6 A G S S- 0 0 28 1,-0.2 -2,-0.1 7,-0.0 11,-0.1 -0.304 101.4 -48.1-101.2-167.0 -11.6 -1.6 1.0 93 7 A H + 0 0 49 10,-0.1 2,-0.3 -2,-0.1 -1,-0.2 -0.320 53.8 176.3 -65.2 140.9 -9.2 -3.9 -0.9 94 8 A S > - 0 0 16 3,-0.2 3,-1.2 -3,-0.1 5,-0.0 -0.976 32.8-146.7-141.0 139.7 -10.6 -6.7 -3.0 95 9 A Y T 3 S+ 0 0 55 -2,-0.3 72,-0.1 1,-0.2 4,-0.1 0.644 105.7 54.3 -72.3 -13.9 -8.7 -9.2 -5.2 96 10 A E T 3 S+ 0 0 63 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.060 105.5 59.7-107.0 19.3 -11.8 -9.1 -7.5 97 11 A K S < S- 0 0 28 -3,-1.2 2,-0.5 -11,-0.1 -3,-0.2 -0.952 90.7-102.2-134.5 161.1 -11.8 -5.3 -7.9 98 12 A Y - 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