==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DE NOVO PROTEIN 23-JAN-12 4AFZ . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.SCHLATTER,S.BRACK,D.W.BANNER,S.BATEY,J.BENZ,J.BERTSCHINGER . 560 7 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 200 35.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 50 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 4.5 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+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 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 12 5 6 12 4 5 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 0 0 2 2 2 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 1 A I 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 117.0 -12.9 5.0 -34.1 2 2 A I B +A 175 0A 22 173,-3.3 173,-2.0 1,-0.2 129,-0.1 -0.819 360.0 7.5 -98.8 131.6 -13.1 1.9 -31.9 3 3 A G S S+ 0 0 48 -2,-0.5 -1,-0.2 127,-0.4 171,-0.2 0.625 102.3 125.3 80.2 15.4 -14.6 2.0 -28.5 4 4 A G - 0 0 24 -3,-0.5 2,-0.3 171,-0.1 139,-0.2 -0.128 54.3-123.8 -93.8-171.2 -15.8 5.6 -28.9 5 5 A T E -B 142 0B 93 137,-2.4 137,-2.8 -3,-0.1 2,-0.2 -0.935 35.8 -89.0-130.3 157.2 -19.1 7.5 -28.6 6 6 A E E -B 141 0B 106 -2,-0.3 135,-0.3 135,-0.2 134,-0.1 -0.470 49.6-118.3 -61.7 128.6 -21.0 9.6 -31.1 7 7 A C - 0 0 4 133,-2.2 -1,-0.1 -2,-0.2 133,-0.1 -0.339 30.0 -97.1 -60.7 149.5 -19.9 13.3 -30.9 8 8 A K > - 0 0 160 1,-0.1 3,-1.7 2,-0.0 4,-0.2 -0.572 64.7 -94.6 -57.1 123.2 -22.3 16.0 -29.9 9 9 A P T 3 S+ 0 0 68 0, 0.0 48,-0.1 0, 0.0 -1,-0.1 -0.228 101.6 1.0 -55.5 133.0 -23.1 17.1 -33.5 10 10 A H T 3 S+ 0 0 47 46,-0.3 47,-0.1 2,-0.1 -2,-0.0 0.697 91.7 121.8 66.9 22.4 -21.0 20.1 -34.7 11 11 A S S < S+ 0 0 56 -3,-1.7 -1,-0.1 1,-0.2 3,-0.1 0.558 75.8 46.3 -90.5 -9.8 -19.1 20.3 -31.5 12 12 A R S > S+ 0 0 27 -4,-0.2 3,-2.0 91,-0.1 -1,-0.2 -0.653 71.1 171.5-126.5 74.6 -15.8 19.8 -33.4 13 13 A P T 3 + 0 0 34 0, 0.0 92,-1.7 0, 0.0 42,-0.3 0.468 68.3 67.8 -71.4 -3.6 -16.3 22.2 -36.2 14 14 A Y T 3 S+ 0 0 21 90,-0.2 19,-2.6 92,-0.1 93,-0.2 0.519 72.9 118.1 -87.9 -8.8 -12.7 21.9 -37.5 15 15 A M E < -I 32 0C 5 -3,-2.0 40,-0.5 17,-0.2 2,-0.4 -0.378 46.6-165.4 -70.6 131.6 -13.3 18.3 -38.6 16 16 A A E -IJ 31 54C 0 15,-3.1 15,-0.7 24,-0.1 2,-0.5 -0.938 10.7-149.2-115.9 138.5 -12.9 17.7 -42.3 17 17 A Y E -IJ 30 53C 37 36,-2.2 36,-2.0 -2,-0.4 2,-0.5 -0.908 16.6-152.6-107.5 130.0 -14.1 14.6 -44.2 18 18 A L E -IJ 29 52C 0 11,-3.1 11,-1.7 -2,-0.5 2,-0.6 -0.872 13.5-168.6-108.6 121.7 -12.0 13.7 -47.3 19 19 A E E -IJ 28 51C 70 32,-2.9 32,-2.2 -2,-0.5 2,-0.5 -0.937 17.5-165.3-101.8 114.2 -13.2 11.9 -50.4 20 20 A I E -IJ 27 50C 0 7,-3.3 7,-2.7 -2,-0.6 2,-0.4 -0.868 3.4-160.4-108.0 126.0 -10.1 10.9 -52.4 21 21 A V E J 0 49C 46 28,-3.1 28,-1.8 -2,-0.5 27,-1.0 -0.924 360.0 360.0-114.8 135.3 -10.5 9.8 -56.1 22 22 A T 0 0 13 -2,-0.4 25,-0.0 3,-0.4 -2,-0.0 -0.879 360.0 360.0-118.6 360.0 -7.7 7.8 -57.8 23 ! 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 24 25 A G 0 0 68 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0-143.6 -12.2 4.8 -60.3 25 26 A P - 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L 0 90C 0 49,-3.3 49,-2.6 -2,-0.4 2,-0.2 -0.873 49.7 -68.8-148.9-172.3 -4.2 15.6 -43.0 42 43 A A > - 0 0 0 -12,-0.4 3,-1.3 47,-0.3 47,-0.3 -0.605 37.8-126.1 -82.5 149.4 -1.9 12.5 -43.3 43 44 A A G > S+ 0 0 1 1,-0.2 3,-1.5 -2,-0.2 -1,-0.1 0.843 104.8 64.9 -60.7 -36.6 0.4 12.1 -46.3 44 45 A H G 3 S+ 0 0 15 1,-0.3 -1,-0.2 41,-0.1 44,-0.0 0.510 88.1 70.2 -73.7 -1.2 -0.9 8.6 -47.2 45 46 A a G < S+ 0 0 0 -3,-1.3 -1,-0.3 -15,-0.1 -2,-0.1 0.257 73.3 123.8 -88.7 7.9 -4.4 10.0 -48.0 46 47 A A < + 0 0 16 -3,-1.5 2,-0.3 -26,-0.1 -26,-0.1 -0.305 30.1 151.5 -71.4 151.9 -3.1 11.8 -51.2 47 48 A G - 0 0 21 1,-0.1 -25,-0.2 -25,-0.0 3,-0.1 -0.895 59.8 -77.6-160.1-166.7 -4.7 11.0 -54.5 48 49 A R S S+ 0 0 183 -27,-1.0 2,-0.3 -2,-0.3 -26,-0.2 0.889 112.2 5.3 -76.4 -37.9 -5.5 12.5 -57.9 49 50 A S E -J 21 0C 52 -28,-1.8 -28,-3.1 -3,-0.0 2,-0.4 -0.993 66.6-162.3-147.0 144.7 -8.4 14.7 -56.6 50 51 A I E -J 20 0C 2 -2,-0.3 21,-2.0 21,-0.3 2,-0.4 -0.965 5.2-161.0-128.8 139.4 -9.8 15.3 -53.2 51 52 A T E -JM 19 70C 24 -32,-2.2 -32,-2.9 -2,-0.4 2,-0.4 -0.992 12.9-154.8-117.2 131.7 -13.1 16.8 -52.1 52 53 A V E -JM 18 69C 0 17,-2.7 17,-2.5 -2,-0.4 2,-0.5 -0.877 3.0-161.6-106.4 135.2 -13.4 18.2 -48.5 53 54 A T E -JM 17 68C 6 -36,-2.0 -36,-2.2 -2,-0.4 3,-0.3 -0.972 12.4-174.4-118.2 116.5 -16.8 18.3 -46.6 54 55 A L E +JM 16 67C 0 13,-3.0 13,-2.2 -2,-0.5 -38,-0.1 -0.716 61.5 34.7-103.1 160.2 -16.8 20.7 -43.7 55 56 A G S S+ 0 0 2 -40,-0.5 10,-0.2 48,-0.4 2,-0.2 0.574 84.6 139.1 78.2 12.9 -19.7 21.2 -41.2 56 57 A A + 0 0 8 -41,-0.3 -46,-0.3 -3,-0.3 -1,-0.2 -0.522 26.9 161.6 -94.5 153.3 -20.8 17.5 -41.2 57 58 A H S S+ 0 0 11 1,-0.4 83,-1.4 4,-0.3 2,-0.8 0.462 85.8 34.3-120.3 -64.9 -22.0 15.1 -38.4 58 59 A N B > S-O 139 0D 24 81,-0.2 3,-1.6 3,-0.2 -1,-0.4 -0.856 77.0-159.4 -91.3 110.6 -23.8 12.4 -40.3 59 60 A I T 3 S+ 0 0 22 79,-2.9 -1,-0.1 -2,-0.8 80,-0.1 0.598 86.3 57.4 -70.1 -12.3 -21.7 12.3 -43.5 60 61 A T T 3 S+ 0 0 83 78,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.484 96.6 69.4 -96.5 -3.9 -24.6 10.6 -45.4 61 62 A E S < S- 0 0 120 -3,-1.6 -4,-0.3 77,-0.2 -3,-0.2 -0.913 78.5-138.4-120.8 104.4 -27.1 13.3 -44.8 62 63 A E - 0 0 164 -2,-0.5 2,-0.2 -6,-0.1 -3,-0.0 -0.333 34.0-178.5 -54.9 130.0 -26.6 16.7 -46.6 63 64 A E > - 0 0 73 1,-0.0 3,-1.0 -2,-0.0 -1,-0.0 -0.762 43.0 -99.3-130.5-178.6 -27.4 19.5 -44.1 64 65 A D T 3 S+ 0 0 174 1,-0.2 -2,-0.0 -2,-0.2 -1,-0.0 0.797 117.4 57.1 -67.6 -31.9 -27.5 23.3 -43.7 65 66 A T T 3 S+ 0 0 39 -10,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.484 82.1 113.9 -77.4 -12.0 -24.1 23.4 -42.1 66 67 A W < - 0 0 42 -3,-1.0 2,-0.4 -11,-0.1 -11,-0.2 -0.417 39.7-176.0 -71.1 140.7 -22.2 21.7 -44.9 67 68 A Q E -M 54 0C 39 -13,-2.2 -13,-3.0 -2,-0.1 2,-0.6 -0.989 10.3-164.7-127.0 123.7 -19.6 23.4 -46.9 68 69 A K E +M 53 0C 113 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.927 14.5 174.6-118.9 113.8 -18.2 21.2 -49.8 69 70 A L E -M 52 0C 15 -17,-2.5 -17,-2.7 -2,-0.6 2,-0.2 -0.924 27.8-126.9-127.3 140.4 -15.0 22.3 -51.4 70 71 A E E -M 51 0C 97 -2,-0.3 25,-2.7 -19,-0.2 2,-0.5 -0.506 26.9-124.3 -76.2 152.3 -12.5 21.0 -54.0 71 72 A V E -N 94 0C 20 -21,-2.0 -21,-0.3 23,-0.2 23,-0.3 -0.826 22.9-174.3 -91.6 131.1 -8.8 20.8 -53.2 72 73 A I E + 0 0 95 21,-3.1 2,-0.3 -2,-0.5 22,-0.2 0.688 68.1 22.1 -99.9 -19.8 -6.7 22.7 -55.7 73 74 A K E -N 93 0C 122 20,-1.5 20,-2.6 2,-0.0 2,-0.5 -0.981 60.0-152.5-152.3 138.7 -3.3 21.8 -54.4 74 75 A Q E -N 92 0C 63 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.930 5.6-166.3-110.6 124.5 -1.8 19.0 -52.3 75 76 A F E -N 91 0C 30 16,-3.1 16,-2.4 -2,-0.5 2,-0.3 -0.833 12.7-176.2-114.5 88.3 1.4 19.7 -50.3 76 77 A R E -N 90 0C 78 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.676 40.4 -96.0 -79.7 140.0 2.7 16.3 -49.2 77 78 A H > - 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