==== 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 4AG2 . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.SCHLATTER,S.BRACK,D.W.BANNER,S.BATEY,J.BENZ,J.BERTSCHINGER . 565 5 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 63.5 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 . 196 34.7 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 . 3 0.5 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 . 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 . 47 8.3 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 . 21 3.7 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 1 0 0 0 0 1 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 . 10 8 4 12 4 6 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 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 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.4 27.8 5.3 94.3 2 2 A I B +A 174 0A 20 172,-3.6 172,-1.9 1,-0.2 128,-0.1 -0.866 360.0 5.2-105.5 128.4 31.0 3.2 94.2 3 3 A G S S+ 0 0 43 -2,-0.5 -1,-0.2 126,-0.4 170,-0.2 0.655 102.0 119.4 81.4 15.8 31.0 -0.3 92.9 4 4 A G - 0 0 23 -3,-0.3 2,-0.3 170,-0.1 138,-0.2 -0.125 57.9-115.2 -97.2-164.1 27.4 -0.2 91.8 5 5 A T E -B 141 0B 90 136,-2.4 136,-2.5 -3,-0.1 2,-0.1 -0.959 35.5 -89.7-135.5 153.6 25.6 -0.6 88.5 6 6 A E E -B 140 0B 106 -2,-0.3 134,-0.3 134,-0.2 2,-0.1 -0.407 48.9-119.4 -60.8 130.8 23.5 1.8 86.3 7 7 A C - 0 0 3 132,-2.6 132,-0.1 1,-0.1 -1,-0.1 -0.400 29.6 -98.7 -65.7 148.1 19.8 1.6 87.3 8 8 A K > - 0 0 158 1,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.588 63.8 -88.8 -59.2 127.9 17.3 0.5 84.8 9 9 A P T 3 S- 0 0 63 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.198 105.5 -2.3 -52.9 131.6 16.0 4.0 83.7 10 10 A H T 3 S+ 0 0 45 47,-0.3 48,-0.1 2,-0.1 -2,-0.0 0.594 91.5 125.3 65.6 18.3 13.1 5.2 85.9 11 11 A S S < S+ 0 0 53 -3,-2.1 -1,-0.1 1,-0.3 3,-0.1 0.617 76.0 47.1 -79.4 -13.9 13.0 2.0 87.9 12 12 A R S > S+ 0 0 30 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.650 72.8 171.0-124.1 71.3 13.4 4.0 91.1 13 13 A P T 3 + 0 0 35 0, 0.0 93,-1.3 0, 0.0 43,-0.3 0.567 69.4 64.9 -69.4 -10.5 10.7 6.7 90.4 14 14 A Y T 3 S+ 0 0 21 91,-0.2 20,-2.7 93,-0.1 94,-0.1 0.560 75.5 118.6 -81.3 -10.3 10.9 8.2 93.9 15 15 A M E < -I 33 0C 5 -3,-2.1 41,-0.6 18,-0.2 2,-0.4 -0.374 46.4-163.7 -67.7 136.0 14.5 9.4 93.4 16 16 A A E -IJ 32 55C 0 16,-2.5 16,-0.9 25,-0.1 2,-0.5 -0.961 12.2-152.9-121.7 133.7 15.1 13.2 93.6 17 17 A Y E -IJ 31 54C 43 37,-2.5 37,-2.9 -2,-0.4 2,-0.5 -0.929 20.6-155.9-103.2 124.5 18.1 15.1 92.4 18 18 A L E -IJ 30 53C 0 12,-2.9 12,-1.8 -2,-0.5 2,-0.6 -0.882 13.7-165.6-109.1 132.6 18.6 18.3 94.4 19 19 A E E -IJ 29 52C 64 33,-2.8 33,-2.3 -2,-0.5 2,-0.6 -0.965 14.4-161.3-114.2 119.9 20.3 21.4 93.3 20 20 A I E -IJ 28 51C 1 8,-3.4 8,-2.6 -2,-0.6 2,-0.3 -0.898 7.0-154.4-112.4 119.2 21.0 23.7 96.3 21 21 A V E + J 0 50C 52 29,-3.1 29,-1.3 -2,-0.6 28,-1.1 -0.652 17.2 179.2 -98.1 144.2 21.8 27.4 95.6 22 22 A T - 0 0 21 3,-0.4 -2,-0.0 -2,-0.3 459,-0.0 -0.963 47.6 -86.0-132.5 134.8 23.6 30.0 97.5 23 23 A S S S- 0 0 73 -2,-0.3 2,-2.1 1,-0.2 26,-0.0 0.109 98.1 -13.1 -29.8 131.0 24.0 33.5 96.2 24 24 A N S S+ 0 0 153 1,-0.0 -1,-0.2 -3,-0.0 3,-0.1 -0.422 114.4 81.0 75.3 -68.8 27.0 34.2 93.8 25 25 A G S S- 0 0 24 -2,-2.1 -3,-0.4 1,-0.1 472,-0.0 -0.052 94.2 -74.1 -68.1 170.2 29.0 31.0 94.3 26 26 A P - 0 0 79 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.248 50.9-114.2 -67.1 153.8 28.4 27.6 92.6 27 27 A S - 0 0 35 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.2 -0.211 24.0-129.4 -81.3 171.0 25.5 25.5 93.8 28 28 A K E -I 20 0C 37 -8,-2.6 -8,-3.4 18,-0.1 2,-0.4 -0.842 15.5-137.8-121.6 164.8 25.8 22.1 95.5 29 29 A F E +I 19 0C 88 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.941 24.4 157.4-128.5 144.1 24.0 18.8 94.8 30 30 A a E -I 18 0C 7 -12,-1.8 -12,-2.9 -2,-0.4 2,-0.2 -0.902 33.4-111.4-144.7 174.3 22.4 15.9 96.8 31 31 A G E +I 17 0C 0 149,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.515 33.9 165.5 -98.2-179.8 19.9 13.1 96.4 32 32 A G E -I 16 0C 0 -16,-0.9 -16,-2.5 -2,-0.2 2,-0.3 -0.925 25.5-124.8-175.4 175.4 16.5 12.9 98.1 33 33 A F E -IK 15 41C 0 8,-1.9 8,-2.6 -2,-0.3 2,-0.6 -0.995 19.6-118.6-145.0 142.3 13.3 10.8 97.7 34 34 A L E + K 0 40C 0 -20,-2.7 74,-2.2 -2,-0.3 6,-0.2 -0.659 34.8 165.8 -81.7 117.7 9.7 11.7 97.2 35 35 A I E S+ 0 0 5 4,-2.2 2,-0.3 -2,-0.6 75,-0.2 0.609 72.1 14.4-105.7 -21.1 7.6 10.5 100.1 36 36 A R E > S- K 0 39C 79 3,-1.6 3,-1.9 73,-0.1 -1,-0.4 -0.949 92.3 -96.6-142.7 160.2 4.4 12.5 99.3 37 37 A R T 3 S+ 0 0 95 -2,-0.3 62,-2.5 1,-0.3 60,-0.1 0.777 126.6 25.5 -51.0 -27.6 3.4 14.3 96.2 38 38 A N T 3 S+ 0 0 19 60,-0.2 57,-3.0 58,-0.1 2,-0.4 0.143 111.4 80.2-124.3 20.4 4.7 17.6 97.7 39 39 A F E < -KL 36 94C 0 -3,-1.9 -4,-2.2 55,-0.2 -3,-1.6 -0.981 49.5-172.8-130.6 130.1 7.4 16.3 100.2 40 40 A V E -KL 34 93C 0 53,-2.5 53,-3.2 -2,-0.4 2,-0.4 -0.929 13.3-148.3-112.0 140.8 10.9 15.2 99.6 41 41 A L E +KL 33 92C 0 -8,-2.6 -8,-1.9 -2,-0.4 2,-0.2 -0.851 33.8 137.7-107.0 144.2 13.1 13.7 102.3 42 42 A T E - L 0 91C 0 49,-2.2 49,-2.5 -2,-0.4 2,-0.3 -0.849 52.9 -59.1-164.5-173.4 16.8 14.2 102.3 43 43 A A > - 0 0 0 -12,-0.4 3,-1.3 47,-0.3 47,-0.3 -0.659 35.9-130.2 -89.9 146.8 19.8 15.0 104.6 44 44 A A G > S+ 0 0 1 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.801 105.2 65.5 -60.6 -31.3 19.9 18.1 106.7 45 45 A H G 3 S+ 0 0 18 1,-0.3 -1,-0.2 41,-0.1 44,-0.0 0.624 89.5 68.7 -74.1 -4.7 23.5 18.9 105.5 46 46 A a G < S+ 0 0 0 -3,-1.3 -1,-0.3 -15,-0.1 -2,-0.2 0.497 76.6 119.1 -86.9 -6.2 22.0 19.4 102.0 47 47 A A < + 0 0 13 -3,-1.8 2,-0.3 -4,-0.1 -27,-0.1 -0.109 30.5 142.1 -59.0 158.8 20.2 22.6 103.1 48 48 A G - 0 0 20 1,-0.1 -26,-0.2 3,-0.0 3,-0.1 -0.939 63.1 -62.9-176.2-169.6 20.9 26.0 101.6 49 49 A R S S- 0 0 200 -28,-1.1 2,-0.3 -2,-0.3 -27,-0.2 0.904 113.2 -2.0 -65.6 -44.1 19.2 29.3 100.5 50 50 A S E -J 21 0C 50 -29,-1.3 -29,-3.1 -3,-0.0 2,-0.4 -0.994 65.5-154.9-148.1 151.1 17.0 27.7 97.8 51 51 A I E -J 20 0C 0 -2,-0.3 21,-2.5 21,-0.3 2,-0.4 -0.988 3.9-162.0-133.5 134.8 16.5 24.2 96.4 52 52 A T E -JM 19 71C 20 -33,-2.3 -33,-2.8 -2,-0.4 2,-0.5 -0.973 15.1-152.6-112.0 130.0 15.3 22.9 93.1 53 53 A V E -JM 18 70C 0 17,-2.8 17,-2.2 -2,-0.4 2,-0.6 -0.904 2.9-159.3-104.4 127.9 14.2 19.2 92.9 54 54 A T E -JM 17 69C 7 -37,-2.9 -37,-2.5 -2,-0.5 2,-0.3 -0.960 14.5-178.8-108.3 119.4 14.4 17.2 89.7 55 55 A L E +JM 16 68C 0 13,-3.0 13,-2.2 -2,-0.6 -39,-0.1 -0.768 59.6 37.5-105.2 160.3 12.1 14.2 89.6 56 56 A G S S+ 0 0 3 -41,-0.6 2,-0.2 48,-0.4 10,-0.2 0.558 83.8 143.5 81.0 9.9 11.8 11.6 86.8 57 57 A A + 0 0 8 -42,-0.3 -47,-0.3 -3,-0.2 -1,-0.2 -0.540 24.5 156.8 -90.6 147.4 15.5 11.7 85.9 58 58 A H S S+ 0 0 12 1,-0.4 81,-1.0 4,-0.2 2,-0.9 0.471 85.2 30.6-119.2 -72.3 17.9 9.0 84.8 59 59 A N B > S-O 138 0D 28 79,-0.2 3,-1.2 3,-0.2 -1,-0.4 -0.834 76.4-163.4 -81.1 109.0 20.7 10.7 82.9 60 60 A I T 3 S+ 0 0 23 77,-2.7 -1,-0.1 -2,-0.9 78,-0.1 0.637 82.4 64.0 -71.1 -14.0 20.7 14.0 84.9 61 61 A T T 3 S+ 0 0 86 76,-0.4 2,-0.5 1,-0.1 -1,-0.2 0.568 97.8 61.0 -85.3 -10.1 22.7 15.7 82.2 62 62 A E S < S- 0 0 128 -3,-1.2 -4,-0.2 75,-0.2 -3,-0.2 -0.940 79.8-135.5-126.2 112.5 20.0 15.4 79.5 63 63 A E + 0 0 163 -2,-0.5 2,-0.3 -6,-0.1 -2,-0.0 -0.298 32.9 169.1 -61.1 141.3 16.5 16.9 79.8 64 64 A E > - 0 0 77 1,-0.0 3,-1.6 0, 0.0 -1,-0.0 -0.940 48.1 -94.8-147.9 174.7 13.7 14.6 78.9 65 65 A D T 3 S+ 0 0 171 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.696 114.9 63.6 -68.1 -24.5 9.9 14.4 79.1 66 66 A T T 3 S+ 0 0 40 -10,-0.2 -1,-0.3 2,-0.0 -9,-0.1 0.622 81.7 109.7 -69.9 -15.7 9.8 12.4 82.3 67 67 A W < - 0 0 42 -3,-1.6 2,-0.4 -11,-0.1 -11,-0.2 -0.392 44.5-176.1 -68.9 141.1 11.4 15.3 84.2 68 68 A Q E -M 55 0C 33 -13,-2.2 -13,-3.0 -2,-0.1 2,-0.5 -0.966 6.9-165.4-132.9 119.4 9.5 17.3 86.7 69 69 A K E +M 54 0C 117 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.925 12.4 177.4-111.3 122.1 11.3 20.2 88.2 70 70 A L E -M 53 0C 16 -17,-2.2 -17,-2.8 -2,-0.5 2,-0.3 -0.957 25.2-127.0-130.3 142.3 9.8 21.8 91.3 71 71 A E E -M 52 0C 91 -2,-0.4 25,-2.7 -19,-0.2 2,-0.4 -0.630 25.2-121.4 -86.6 147.1 10.9 24.6 93.6 72 72 A V E -N 95 0C 19 -21,-2.5 -21,-0.3 -2,-0.3 23,-0.3 -0.746 26.3-178.0 -83.5 130.3 11.1 24.0 97.3 73 73 A I E + 0 0 96 21,-3.1 2,-0.3 -2,-0.4 22,-0.2 0.780 69.5 21.3 -99.4 -26.9 8.9 26.4 99.3 74 74 A K E -N 94 0C 112 20,-1.3 20,-3.5 2,-0.0 2,-0.5 -0.984 61.6-156.2-144.4 130.4 9.8 25.3 102.9 75 75 A Q E -N 93 0C 60 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.912 5.3-165.7-100.5 123.9 12.8 23.4 104.3 76 76 A F E -N 92 0C 27 16,-3.2 16,-2.2 -2,-0.5 2,-0.2 -0.806 11.0-173.5-110.4 88.3 12.2 21.6 107.6 77 77 A R E -N 91 0C 84 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.572 41.6 -94.3 -78.3 139.8 15.7 20.8 108.9 78 78 A H > - 0 0 19 12,-2.3 3,-1.7 10,-0.3 -1,-0.1 -0.358 33.8-133.5 -55.7 133.0 15.6 18.6 112.0 79 79 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.693 102.8 50.1 -68.7 -17.6 15.8 21.0 114.9 80 80 A K T 3 S+ 0 0 149 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.271 77.1 139.3 -98.7 6.3 18.5 19.0 116.8 81 81 A Y < - 0 0 14 -3,-1.7 2,-0.5 7,-0.1 7,-0.2 -0.321 35.3-163.6 -53.4 128.4 20.8 18.7 113.7 82 82 A N > - 0 0 58 5,-1.9 4,-1.8 1,-0.1 5,-0.4 -0.980 14.7-156.0-123.6 122.2 24.4 19.2 114.9 83 83 A T T 4 S+ 0 0 1 402,-2.2 403,-0.2 -2,-0.5 -1,-0.1 0.725 87.3 62.0 -71.8 -24.5 27.1 20.0 112.3 84 84 A S T 4 S+ 0 0 35 401,-0.2 -1,-0.2 1,-0.2 402,-0.1 0.898 126.1 13.7 -70.7 -38.6 30.1 18.7 114.3 85 85 A T T 4 S- 0 0 23 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.533 95.5-128.4-107.4 -15.7 28.8 15.1 114.4 86 86 A L >< + 0 0 4 -4,-1.8 3,-0.6 1,-0.2 -3,-0.2 0.658 47.8 166.2 62.4 19.7 26.1 15.3 111.8 87 87 A H T 3 + 0 0 33 -5,-0.4 -5,-1.9 1,-0.2 -1,-0.2 -0.384 63.1 21.7 -57.7 143.4 23.7 13.8 114.3 88 88 A H T 3 S+ 0 0 31 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.894 77.3 176.1 63.2 46.9 20.0 14.1 113.2 89 89 A D < + 0 0 0 -3,-0.6 2,-0.3 -46,-0.1 119,-0.2 -0.545 35.2 113.7 -85.5 77.6 21.0 14.5 109.5 90 90 A I + 0 0 0 -2,-1.9 -12,-2.3 -47,-0.3 2,-0.3 -0.994 36.4 175.1-151.9 138.7 17.5 14.6 108.2 91 91 A M E -LN 42 77C 0 -49,-2.5 -49,-2.2 -2,-0.3 2,-0.4 -0.991 20.2-144.0-147.8 138.9 15.3 17.3 106.5 92 92 A L E -LN 41 76C 0 -16,-2.2 -16,-3.2 -2,-0.3 2,-0.5 -0.868 16.1-155.8 -98.0 138.8 11.9 17.4 104.9 93 93 A L E -LN 40 75C 0 -53,-3.2 -53,-2.5 -2,-0.4 2,-0.5 -0.961 5.0-148.7-116.7 122.4 11.4 19.7 101.8 94 94 A K E -LN 39 74C 49 -20,-3.5 -21,-3.1 -2,-0.5 -20,-1.3 -0.810 18.7-139.8 -89.2 126.2 7.9 21.0 101.0 95 95 A L E - 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