==== 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 4AG1 . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.SCHLATTER,S.BRACK,D.W.BANNER,S.BATEY,J.BENZ,J.BERTSCHINGER . 283 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12884.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 4.9 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 3 3 6 2 3 0 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 1 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 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 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 119.5 -1.9 13.4 11.8 2 2 A I B +A 172 0A 18 170,-3.1 170,-2.0 1,-0.2 126,-0.1 -0.860 360.0 8.8-102.3 129.1 -5.1 14.3 13.6 3 3 A G S S+ 0 0 52 124,-0.5 138,-0.2 -2,-0.5 -1,-0.2 0.576 103.2 110.0 85.5 9.0 -5.2 17.0 16.3 4 4 A G - 0 0 25 -3,-0.3 2,-0.3 168,-0.1 136,-0.2 -0.059 60.5-114.6 -99.5-157.2 -1.6 18.1 15.8 5 5 A T E -B 139 0B 92 134,-2.3 134,-2.6 -3,-0.1 2,-0.1 -0.941 35.9 -86.2-141.2 154.9 0.1 21.2 14.4 6 6 A E E -B 138 0B 102 -2,-0.3 132,-0.3 132,-0.2 131,-0.1 -0.437 50.1-118.4 -61.0 133.3 2.4 22.0 11.5 7 7 A C - 0 0 3 130,-2.8 -1,-0.1 -2,-0.1 130,-0.1 -0.372 28.7 -99.0 -66.2 151.4 6.0 21.3 12.2 8 8 A K > - 0 0 172 1,-0.1 3,-2.0 -2,-0.0 4,-0.2 -0.595 63.2 -90.5 -59.5 129.2 8.6 24.1 12.2 9 9 A P T 3 S- 0 0 78 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.233 104.8 -0.1 -52.7 133.6 10.0 23.5 8.7 10 10 A H T 3 S+ 0 0 44 47,-0.3 48,-0.1 2,-0.1 -2,-0.0 0.548 92.5 122.0 65.8 16.6 13.0 21.1 8.7 11 11 A S S < S+ 0 0 38 -3,-2.0 -1,-0.1 1,-0.2 3,-0.1 0.490 73.3 48.6 -84.2 -7.3 12.8 20.6 12.5 12 12 A R S > S+ 0 0 53 -4,-0.2 3,-2.2 92,-0.1 -1,-0.2 -0.670 71.6 172.7-130.4 70.4 12.4 16.8 12.1 13 13 A P T 3 + 0 0 34 0, 0.0 93,-1.5 0, 0.0 43,-0.3 0.549 68.0 63.8 -73.3 -7.9 15.2 16.1 9.7 14 14 A Y T 3 S+ 0 0 26 91,-0.2 20,-2.4 93,-0.1 94,-0.2 0.499 76.0 117.2 -82.7 -11.8 14.9 12.3 9.8 15 15 A M E < -I 33 0C 5 -3,-2.2 41,-0.6 18,-0.2 2,-0.4 -0.409 46.7-164.6 -69.8 135.6 11.4 12.3 8.3 16 16 A A E -IJ 32 55C 0 16,-2.7 16,-1.0 25,-0.1 2,-0.5 -0.964 12.2-149.8-119.5 135.4 11.0 10.6 5.0 17 17 A Y E -IJ 31 54C 37 37,-2.4 37,-2.9 -2,-0.4 2,-0.5 -0.918 19.9-155.0-101.0 124.6 8.0 10.9 2.5 18 18 A L E -IJ 30 53C 0 12,-2.9 12,-1.7 -2,-0.5 2,-0.5 -0.902 12.2-167.2-106.5 126.4 7.6 7.7 0.5 19 19 A E E -IJ 29 52C 77 33,-2.7 33,-2.4 -2,-0.5 2,-0.5 -0.967 16.1-161.5-109.2 120.4 5.9 7.6 -2.9 20 20 A I E -IJ 28 51C 0 8,-3.3 8,-2.6 -2,-0.5 2,-0.4 -0.925 10.2-146.2-115.1 120.5 5.2 4.0 -3.8 21 21 A V E - J 0 50C 59 29,-2.8 28,-2.1 -2,-0.5 29,-1.2 -0.689 23.5-154.0 -80.9 131.0 4.5 2.8 -7.3 22 22 A T - 0 0 9 3,-0.4 3,-0.1 -2,-0.4 26,-0.1 -0.525 28.3-105.1-105.5 169.7 2.0 -0.1 -7.3 23 23 A S S S+ 0 0 72 1,-0.2 2,-0.4 -2,-0.2 228,-0.1 0.819 108.3 24.9 -59.6 -35.4 1.3 -2.9 -9.7 24 24 A N S S- 0 0 48 2,-0.1 -1,-0.2 226,-0.1 226,-0.1 -0.995 114.8 -18.9-137.8 125.0 -1.9 -1.2 -11.1 25 25 A G S S- 0 0 57 -2,-0.4 -3,-0.4 -3,-0.1 243,-0.0 -0.322 95.9 -3.2 88.1-162.7 -2.7 2.5 -11.1 26 26 A P S S- 0 0 94 0, 0.0 -4,-0.2 0, 0.0 -2,-0.1 -0.096 76.3 -91.9 -66.9 165.5 -1.4 5.6 -9.2 27 27 A S - 0 0 48 -6,-0.1 2,-0.2 1,-0.1 -6,-0.2 -0.270 31.0-142.1 -76.6 160.0 1.2 5.7 -6.5 28 28 A K E -I 20 0C 34 -8,-2.6 -8,-3.3 18,-0.1 2,-0.3 -0.720 16.4-137.1-109.7 167.1 0.4 5.4 -2.7 29 29 A F E +I 19 0C 65 -2,-0.2 2,-0.3 -10,-0.2 -10,-0.2 -0.936 23.7 163.7-128.9 157.7 2.2 7.3 0.1 30 30 A a E -I 18 0C 6 -12,-1.7 -12,-2.9 -2,-0.3 2,-0.2 -0.943 31.6-110.6-151.1 168.9 3.6 6.6 3.5 31 31 A G E +I 17 0C 1 147,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.478 36.6 159.5 -93.4 176.7 6.0 8.1 6.1 32 32 A G E -I 16 0C 0 -16,-1.0 -16,-2.7 -2,-0.2 2,-0.3 -0.952 26.6-123.1-177.7-179.7 9.3 6.7 7.1 33 33 A F E -IK 15 41C 0 8,-2.1 8,-2.8 -2,-0.3 2,-0.4 -0.995 19.2-114.9-150.6 142.3 12.5 7.8 8.8 34 34 A L E + K 0 40C 0 -20,-2.4 74,-2.3 -2,-0.3 6,-0.2 -0.600 34.2 164.3 -76.2 124.7 16.2 7.8 8.0 35 35 A I E S+ 0 0 3 4,-2.6 2,-0.3 -2,-0.4 5,-0.2 0.584 71.6 11.9-114.9 -21.5 18.3 5.6 10.3 36 36 A R E > S- K 0 39C 124 3,-1.7 3,-1.8 70,-0.1 -1,-0.4 -0.941 92.4 -93.8-144.0 165.2 21.5 5.4 8.3 37 37 A R T 3 S+ 0 0 100 -2,-0.3 62,-3.0 1,-0.3 60,-0.1 0.832 127.1 26.2 -53.9 -29.6 22.7 7.5 5.2 38 38 A N T 3 S+ 0 0 31 60,-0.2 57,-2.5 58,-0.1 2,-0.4 0.105 111.1 79.5-121.7 24.7 21.3 4.8 2.9 39 39 A F E < -KL 36 94C 2 -3,-1.8 -4,-2.6 55,-0.2 -3,-1.7 -0.992 48.4-174.6-137.0 134.0 18.6 3.2 5.0 40 40 A V E -KL 34 93C 0 53,-2.2 53,-3.0 -2,-0.4 2,-0.4 -0.955 15.6-145.1-118.5 134.7 15.0 4.2 5.8 41 41 A L E +KL 33 92C 0 -8,-2.8 -8,-2.1 -2,-0.4 2,-0.2 -0.839 34.6 141.3 -97.0 142.8 12.7 2.5 8.2 42 42 A T E - L 0 91C 0 49,-2.3 49,-2.2 -2,-0.4 2,-0.3 -0.830 51.3 -63.1-157.1-170.0 9.0 2.3 7.5 43 43 A A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.3 -0.678 35.7-129.1 -89.7 146.4 5.9 -0.1 7.7 44 44 A A G > S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.831 105.5 65.8 -59.8 -34.1 5.8 -3.3 5.8 45 45 A H G 3 S+ 0 0 25 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.565 88.6 69.6 -73.2 -2.6 2.3 -2.4 4.4 46 46 A a G < S+ 0 0 0 -3,-1.4 -1,-0.3 -15,-0.1 -2,-0.2 0.391 75.1 121.7 -89.0 2.6 3.9 0.4 2.5 47 47 A A < + 0 0 8 -3,-1.9 2,-0.3 -4,-0.1 -27,-0.1 -0.221 30.9 143.4 -65.1 155.3 5.7 -2.0 0.1 48 48 A G - 0 0 25 -26,-0.1 -26,-0.2 1,-0.1 3,-0.1 -0.886 62.8 -63.0-166.0-160.2 5.2 -1.9 -3.6 49 49 A R S S- 0 0 192 -28,-2.1 2,-0.3 1,-0.3 -27,-0.2 0.917 113.4 -9.8 -70.7 -42.0 6.8 -2.2 -7.0 50 50 A S E -J 21 0C 49 -29,-1.2 -29,-2.8 -3,-0.0 2,-0.4 -0.988 64.7-151.5-154.9 157.7 9.2 0.7 -6.5 51 51 A I E -J 20 0C 1 21,-0.3 21,-2.4 -2,-0.3 2,-0.4 -0.996 3.6-161.7-136.7 135.7 9.6 3.5 -4.0 52 52 A T E -JM 19 71C 21 -33,-2.4 -33,-2.7 -2,-0.4 2,-0.4 -0.972 15.8-152.6-112.2 136.2 11.0 7.0 -4.1 53 53 A V E -JM 18 70C 0 17,-3.2 17,-2.9 -2,-0.4 2,-0.6 -0.898 3.3-159.5-109.3 131.0 12.0 8.6 -0.8 54 54 A T E -JM 17 69C 6 -37,-2.9 -37,-2.4 -2,-0.4 2,-0.3 -0.958 13.6-179.0-112.0 117.8 12.0 12.4 -0.3 55 55 A L E +JM 16 68C 0 13,-2.9 13,-2.4 -2,-0.6 -39,-0.1 -0.757 62.3 36.5-104.5 157.8 14.1 13.6 2.5 56 56 A G S S+ 0 0 4 -41,-0.6 2,-0.2 48,-0.3 10,-0.2 0.620 84.9 140.6 79.6 14.0 14.4 17.2 3.6 57 57 A A + 0 0 10 -42,-0.4 -47,-0.3 -3,-0.3 -1,-0.2 -0.585 25.2 161.2 -94.9 150.6 10.8 18.1 2.8 58 58 A H S S+ 0 0 10 1,-0.4 79,-1.3 4,-0.3 2,-0.8 0.497 84.7 28.7-117.8 -70.2 8.4 20.3 4.7 59 59 A N B > S-O 136 0D 34 3,-0.3 3,-1.9 77,-0.2 -1,-0.4 -0.865 77.7-154.0 -90.3 111.8 5.7 21.1 2.1 60 60 A I T 3 S+ 0 0 25 75,-2.9 -1,-0.1 -2,-0.8 76,-0.1 0.558 92.4 54.0 -69.0 -7.7 5.8 18.0 -0.1 61 61 A T T 3 S+ 0 0 94 74,-0.2 2,-0.6 1,-0.1 -1,-0.3 0.432 98.0 72.6-100.7 -0.4 4.4 20.0 -3.0 62 62 A E S < S- 0 0 111 -3,-1.9 -4,-0.3 73,-0.2 -3,-0.3 -0.900 76.4-144.7-121.2 99.4 7.1 22.7 -2.8 63 63 A E - 0 0 163 -2,-0.6 2,-0.3 -6,-0.1 -3,-0.0 -0.372 25.4-179.1 -60.6 140.7 10.5 21.6 -4.0 64 64 A E > - 0 0 61 -2,-0.0 3,-1.9 -8,-0.0 -1,-0.0 -0.927 44.1-105.3-137.7 163.4 13.3 23.2 -1.9 65 65 A D T 3 S+ 0 0 175 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.615 116.5 65.4 -61.9 -16.8 17.1 23.2 -1.9 66 66 A T T 3 S+ 0 0 37 -10,-0.2 -1,-0.3 38,-0.0 -9,-0.1 0.636 79.1 112.1 -78.9 -17.8 16.9 20.9 1.2 67 67 A W < - 0 0 43 -3,-1.9 2,-0.4 -11,-0.1 -11,-0.2 -0.314 41.5-176.8 -64.6 140.4 15.3 18.1 -0.8 68 68 A Q E -M 55 0C 32 -13,-2.4 -13,-2.9 2,-0.0 2,-0.6 -0.945 8.1-169.8-131.6 111.1 17.1 14.8 -1.4 69 69 A K E +M 54 0C 109 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.918 13.4 176.9-112.9 115.6 14.9 12.6 -3.5 70 70 A L E -M 53 0C 11 -17,-2.9 -17,-3.2 -2,-0.6 2,-0.2 -0.946 26.4-127.0-128.2 138.3 16.3 9.0 -3.7 71 71 A E E -M 52 0C 88 -2,-0.4 25,-3.1 -19,-0.2 2,-0.5 -0.555 25.9-122.7 -81.0 147.4 15.2 5.8 -5.3 72 72 A V E -N 95 0C 21 -21,-2.4 -21,-0.3 23,-0.2 23,-0.3 -0.788 23.0-175.1 -87.0 129.3 15.0 2.6 -3.2 73 73 A I E S+ 0 0 97 21,-2.6 2,-0.3 -2,-0.5 22,-0.2 0.707 70.5 23.1 -96.1 -24.3 17.2 -0.2 -4.5 74 74 A K E -N 94 0C 108 20,-1.4 20,-2.8 2,-0.0 2,-0.6 -0.975 60.0-154.8-146.5 132.4 16.0 -2.9 -2.1 75 75 A Q E -N 93 0C 54 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.915 7.5-167.2 -99.1 122.4 13.0 -3.5 0.1 76 76 A F E -N 92 0C 25 16,-3.2 16,-2.2 -2,-0.6 2,-0.3 -0.790 12.4-174.8-109.2 84.5 13.6 -5.6 3.1 77 77 A R E -N 91 0C 71 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.608 40.8 -94.8 -77.8 136.9 10.1 -6.4 4.3 78 78 A H > - 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