==== 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 4AFS . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.SCHLATTER,S.BRACK,D.W.BANNER,S.BATEY,J.BENZ,J.BERTSCHINGER . 287 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 62.7 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 . 97 33.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 3 1.0 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 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 3.8 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 0 0 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 . 6 3 2 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 0.000 360.0 360.0 360.0 122.3 10.2 13.4 3.7 2 2 A I B +A 176 0A 20 174,-3.5 174,-2.0 1,-0.2 130,-0.1 -0.837 360.0 0.5 -99.4 128.2 13.4 11.5 2.7 3 3 A G S S+ 0 0 45 -2,-0.5 -1,-0.2 128,-0.4 172,-0.1 0.705 101.3 128.9 77.6 16.2 13.1 8.1 0.9 4 4 A G - 0 0 22 -3,-0.3 2,-0.3 172,-0.1 140,-0.2 -0.135 54.1-115.9 -93.0-171.2 9.3 8.2 0.9 5 5 A T E -B 143 0B 90 138,-2.7 138,-2.6 -3,-0.1 2,-0.2 -0.897 35.1 -91.7-124.1 158.2 6.7 7.6 -1.8 6 6 A E E -B 142 0B 108 -2,-0.3 136,-0.3 136,-0.2 2,-0.1 -0.494 47.9-118.8 -67.9 133.2 4.1 10.0 -3.2 7 7 A C - 0 0 4 134,-3.1 134,-0.1 -2,-0.2 -1,-0.1 -0.413 29.6 -98.7 -68.5 151.4 0.8 9.6 -1.3 8 8 A K > - 0 0 158 1,-0.1 3,-2.5 -2,-0.1 4,-0.3 -0.615 63.2 -91.9 -61.9 126.5 -2.3 8.5 -3.1 9 9 A P T 3 S- 0 0 63 0, 0.0 49,-0.1 0, 0.0 -1,-0.1 -0.220 104.7 -1.9 -58.6 130.7 -3.9 11.9 -3.7 10 10 A H T 3 S+ 0 0 47 47,-0.3 48,-0.1 2,-0.1 -2,-0.1 0.512 91.9 127.0 66.9 10.0 -6.2 12.9 -0.9 11 11 A S S < S+ 0 0 56 -3,-2.5 -1,-0.1 1,-0.3 3,-0.1 0.640 76.2 43.4 -73.9 -10.5 -5.7 9.6 0.9 12 12 A R S > S+ 0 0 30 -4,-0.3 3,-2.2 92,-0.1 -1,-0.3 -0.675 72.9 173.6-126.9 74.6 -4.8 11.4 4.1 13 13 A P T 3 S+ 0 0 36 0, 0.0 93,-1.6 0, 0.0 43,-0.3 0.514 70.5 65.6 -71.2 -3.8 -7.5 14.1 4.1 14 14 A Y T 3 S+ 0 0 19 91,-0.2 20,-2.9 93,-0.1 94,-0.2 0.478 73.8 120.4 -85.8 -7.0 -6.6 15.4 7.6 15 15 A M E < -I 33 0C 5 -3,-2.2 41,-0.5 18,-0.2 2,-0.4 -0.397 47.3-161.2 -72.2 132.2 -3.2 16.6 6.3 16 16 A A E -IJ 32 55C 0 16,-2.9 16,-0.9 25,-0.1 2,-0.5 -0.933 10.5-152.6-114.7 134.4 -2.7 20.4 6.8 17 17 A Y E -IJ 31 54C 44 37,-2.3 37,-2.8 -2,-0.4 2,-0.5 -0.938 20.0-155.8-105.0 124.8 -0.1 22.6 5.0 18 18 A L E -IJ 30 53C 0 12,-2.7 12,-1.8 -2,-0.5 2,-0.6 -0.888 14.9-168.0-109.4 126.5 0.9 25.6 7.1 19 19 A E E -IJ 29 52C 67 33,-2.7 33,-2.7 -2,-0.5 2,-0.7 -0.964 12.3-162.8-104.9 120.2 2.2 28.8 5.8 20 20 A I E -IJ 28 51C 0 8,-3.0 8,-2.5 -2,-0.6 2,-0.6 -0.899 3.2-157.0-109.9 112.3 3.6 30.9 8.7 21 21 A V E + J 0 50C 52 29,-2.8 29,-1.6 -2,-0.7 28,-0.4 -0.801 20.9 166.5 -94.2 120.0 4.0 34.5 7.9 22 22 A T - 0 0 19 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.801 58.4 -59.4-105.8 -41.3 6.6 36.1 10.2 23 23 A S S S- 0 0 42 2,-0.3 2,-1.5 3,-0.1 -1,-0.4 -0.910 87.5 -22.0-175.7-157.4 7.3 39.4 8.5 24 24 A N S S+ 0 0 164 -2,-0.3 -3,-0.0 -3,-0.1 3,-0.0 -0.511 109.3 49.7 -74.2 80.9 8.6 41.0 5.2 25 25 A G S S- 0 0 38 -2,-1.5 -2,-0.3 246,-0.0 -3,-0.2 -0.923 103.6 -24.1 169.1 179.8 10.6 38.1 3.7 26 26 A P - 0 0 81 0, 0.0 -4,-0.2 0, 0.0 -3,-0.1 -0.101 65.4-128.4 -51.6 141.2 10.2 34.4 2.9 27 27 A S - 0 0 27 -6,-0.1 2,-0.3 -5,-0.1 -6,-0.2 -0.127 17.1-114.8 -75.7 176.5 7.6 32.5 5.0 28 28 A K E -I 20 0C 24 -8,-2.5 -8,-3.0 18,-0.1 2,-0.4 -0.886 25.9-148.0-112.9 157.5 8.1 29.3 7.0 29 29 A F E +I 19 0C 87 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.973 21.9 159.6-130.3 136.9 6.4 26.1 6.1 30 30 A a E -I 18 0C 5 -12,-1.8 -12,-2.7 -2,-0.4 2,-0.2 -0.870 29.0-124.6-141.6 170.2 5.2 23.2 8.3 31 31 A G E +I 17 0C 2 151,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.559 31.4 157.8-107.3-175.4 2.8 20.4 8.3 32 32 A G E -I 16 0C 0 -16,-0.9 -16,-2.9 -2,-0.2 2,-0.3 -0.947 30.0-113.4 175.1 179.8 0.0 19.5 10.7 33 33 A F E -IK 15 41C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.7 -0.996 19.5-118.3-145.9 142.2 -3.2 17.6 10.9 34 34 A L E + K 0 40C 0 -20,-2.9 74,-2.7 -2,-0.3 6,-0.2 -0.613 33.9 167.6 -79.8 110.0 -6.9 18.4 11.3 35 35 A I E S+ 0 0 6 4,-2.1 2,-0.3 -2,-0.7 75,-0.2 0.586 72.4 13.4-100.4 -15.8 -8.1 16.7 14.5 36 36 A R E > S- K 0 39C 76 3,-1.5 3,-1.9 73,-0.1 -1,-0.3 -0.945 93.8 -94.8-149.4 160.8 -11.4 18.5 14.8 37 37 A R T 3 S+ 0 0 100 -2,-0.3 62,-3.0 1,-0.3 60,-0.1 0.807 126.5 25.0 -53.0 -31.5 -13.3 20.6 12.1 38 38 A N T 3 S+ 0 0 17 60,-0.3 57,-2.6 58,-0.1 2,-0.4 0.092 112.1 82.2-120.3 24.8 -11.7 23.9 13.5 39 39 A F E < -KL 36 94C 0 -3,-1.9 -4,-2.1 55,-0.2 -3,-1.5 -0.982 49.3-173.4-134.4 126.5 -8.6 22.5 15.2 40 40 A V E -KL 34 93C 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.4 -0.957 14.1-149.4-113.2 130.5 -5.2 21.6 13.7 41 41 A L E +KL 33 92C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.2 -0.831 34.6 139.9 -97.7 137.0 -2.5 19.9 15.7 42 42 A T E - L 0 91C 0 49,-2.4 49,-2.1 -2,-0.4 2,-0.3 -0.776 51.7 -60.2-153.7-164.3 1.2 20.7 14.8 43 43 A A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.3 -0.694 36.6-127.1 -94.0 148.1 4.6 21.4 16.4 44 44 A A G > S+ 0 0 1 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 0.848 106.7 64.1 -57.8 -37.9 5.3 24.3 18.8 45 45 A H G 3 S+ 0 0 16 1,-0.3 -1,-0.2 41,-0.1 44,-0.0 0.569 88.6 69.7 -69.7 -5.2 8.3 25.5 16.7 46 46 A a G < S+ 0 0 0 -3,-1.4 -1,-0.3 -15,-0.1 -2,-0.2 0.391 75.7 125.0 -88.1 4.1 5.9 26.2 13.8 47 47 A A < + 0 0 5 -3,-1.9 2,-0.3 -4,-0.1 3,-0.1 -0.164 31.1 139.2 -58.9 153.3 4.4 29.1 15.8 48 48 A G - 0 0 21 1,-0.1 -26,-0.1 3,-0.0 3,-0.1 -0.980 61.7 -69.6-175.9-175.0 4.3 32.6 14.3 49 49 A R S S- 0 0 212 -28,-0.4 2,-0.3 -2,-0.3 -27,-0.2 0.941 111.5 -2.7 -58.8 -58.6 2.6 35.9 13.7 50 50 A S E -J 21 0C 45 -29,-1.6 -29,-2.8 -3,-0.1 2,-0.4 -0.998 65.7-159.0-140.2 147.4 -0.1 34.6 11.3 51 51 A I E -J 20 0C 0 -2,-0.3 21,-2.2 21,-0.3 2,-0.5 -0.987 3.4-161.4-130.0 127.2 -0.7 31.1 9.9 52 52 A T E -JM 19 71C 22 -33,-2.7 -33,-2.7 -2,-0.4 2,-0.5 -0.948 13.9-154.1-103.5 130.9 -2.7 30.1 6.9 53 53 A V E -JM 18 70C 0 17,-2.8 17,-2.7 -2,-0.5 2,-0.6 -0.885 2.4-158.8-103.7 129.9 -3.7 26.5 6.7 54 54 A T E -JM 17 69C 8 -37,-2.8 -37,-2.3 -2,-0.5 2,-0.3 -0.962 14.4-176.2-108.5 118.5 -4.4 24.7 3.4 55 55 A L E +JM 16 68C 0 13,-3.0 13,-2.4 -2,-0.6 -39,-0.1 -0.770 59.8 34.3-106.8 154.7 -6.6 21.6 3.6 56 56 A G S S+ 0 0 4 -41,-0.5 2,-0.2 48,-0.4 -1,-0.2 0.633 84.3 140.2 82.4 17.6 -7.5 19.2 0.8 57 57 A A + 0 0 10 -42,-0.4 -47,-0.3 -3,-0.3 -1,-0.2 -0.598 26.2 160.6 -95.5 153.4 -4.2 19.5 -1.0 58 58 A H S S+ 0 0 14 1,-0.4 83,-1.0 -2,-0.2 2,-0.8 0.431 85.0 31.9-121.5 -72.7 -2.0 17.0 -2.8 59 59 A N B > S-O 140 0D 37 81,-0.2 3,-1.1 3,-0.2 -1,-0.4 -0.809 75.1-164.5 -80.9 111.6 0.2 19.0 -5.1 60 60 A I T 3 S+ 0 0 22 79,-2.7 -1,-0.1 -2,-0.8 80,-0.1 0.582 81.2 61.8 -79.3 -11.3 0.6 22.2 -3.1 61 61 A T T 3 S+ 0 0 73 78,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.506 98.6 62.7 -88.9 -7.9 1.9 24.3 -6.0 62 62 A E S < S- 0 0 127 -3,-1.1 -4,-0.2 77,-0.2 -3,-0.2 -0.876 85.6-130.3-127.8 102.3 -1.3 23.8 -8.0 63 63 A E - 0 0 166 -2,-0.5 2,-0.3 -3,-0.1 -2,-0.1 -0.096 30.1-168.9 -48.2 139.6 -4.5 25.2 -6.7 64 64 A E > - 0 0 66 -4,-0.1 3,-1.9 1,-0.0 -1,-0.1 -0.956 36.4-117.8-136.0 150.0 -7.3 22.6 -6.7 65 65 A D T 3 S+ 0 0 161 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.491 113.3 65.9 -69.7 -0.9 -11.1 22.8 -6.2 66 66 A T T 3 S+ 0 0 30 -10,-0.2 -1,-0.3 38,-0.1 -9,-0.1 0.605 80.6 110.4 -84.1 -16.0 -10.5 20.5 -3.2 67 67 A W < - 0 0 43 -3,-1.9 2,-0.4 -11,-0.1 -11,-0.2 -0.338 43.7-176.1 -67.9 137.3 -8.5 23.2 -1.3 68 68 A Q E -M 55 0C 36 -13,-2.4 -13,-3.0 -2,-0.1 2,-0.5 -0.974 9.1-163.8-127.5 117.5 -9.9 24.9 1.7 69 69 A K E -M 54 0C 119 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.907 12.6-179.3-102.2 126.4 -7.7 27.7 3.0 70 70 A L E -M 53 0C 28 -17,-2.7 -17,-2.8 -2,-0.5 2,-0.2 -0.989 23.7-128.0-131.6 135.7 -8.4 28.8 6.5 71 71 A E E -M 52 0C 79 -2,-0.4 25,-2.8 -19,-0.2 2,-0.4 -0.525 24.8-124.0 -74.0 143.3 -6.8 31.5 8.7 72 72 A V E +N 95 0C 19 -21,-2.2 -21,-0.3 23,-0.2 23,-0.2 -0.774 27.4 179.5 -82.5 132.9 -5.7 30.6 12.2 73 73 A I E + 0 0 97 21,-2.6 2,-0.3 -2,-0.4 22,-0.2 0.641 66.6 28.1-107.7 -20.2 -7.3 32.8 14.9 74 74 A K E -N 94 0C 103 20,-1.4 20,-2.7 2,-0.0 2,-0.5 -0.967 61.5-157.5-146.9 129.2 -5.8 31.3 18.1 75 75 A Q E -N 93 0C 62 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.917 2.5-169.1-104.7 123.0 -2.5 29.6 18.8 76 76 A F E -N 92 0C 24 16,-3.6 16,-2.3 -2,-0.5 2,-0.2 -0.772 12.7-176.8-109.0 84.8 -2.2 27.3 21.8 77 77 A R E -N 91 0C 72 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.594 43.1 -93.4 -76.3 141.2 1.5 26.6 22.1 78 78 A H > - 0 0 17 12,-2.2 3,-1.6 10,-0.3 -1,-0.1 -0.355 32.8-134.8 -58.6 131.5 2.4 24.1 24.9 79 79 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.742 102.0 50.7 -64.7 -21.5 3.2 26.3 27.9 80 80 A K T 3 S+ 0 0 144 8,-0.1 7,-0.1 178,-0.1 -2,-0.1 0.327 77.3 136.9 -97.5 8.0 6.3 24.2 28.8 81 81 A Y < - 0 0 3 -3,-1.6 2,-0.4 7,-0.2 7,-0.2 -0.311 31.4-174.5 -60.1 134.7 7.8 24.4 25.3 82 82 A N > - 0 0 39 5,-1.2 4,-2.0 176,-0.1 5,-0.3 -0.999 25.7-147.7-140.1 131.3 11.5 25.1 25.5 83 83 A T T 4 S+ 0 0 0 176,-2.3 177,-0.2 -2,-0.4 -1,-0.1 0.631 94.9 56.5 -79.4 -16.3 14.0 25.7 22.7 84 84 A S T 4 S+ 0 0 15 175,-0.2 -1,-0.2 1,-0.1 74,-0.1 0.885 126.7 19.5 -78.5 -40.7 17.1 24.1 24.3 85 85 A T T 4 S- 0 0 19 2,-0.1 -2,-0.2 74,-0.0 3,-0.1 0.711 89.6-141.8 -94.8 -25.5 15.4 20.7 24.8 86 86 A L >< + 0 0 1 -4,-2.0 3,-0.7 1,-0.2 -3,-0.2 0.685 45.0 160.8 55.4 22.6 12.6 21.1 22.3 87 87 A H T 3 + 0 0 26 -5,-0.3 -5,-1.2 1,-0.2 -1,-0.2 -0.407 58.7 21.9 -63.1 147.5 10.5 19.3 24.9 88 88 A H T 3 S+ 0 0 33 1,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.884 74.9 172.8 60.4 41.2 6.7 19.7 24.6 89 89 A D < + 0 0 0 -3,-0.7 2,-0.3 -46,-0.1 121,-0.2 -0.564 36.1 114.1 -80.5 78.2 7.1 20.6 20.9 90 90 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.989 37.8 176.3-154.2 141.7 3.3 20.6 20.4 91 91 A M E -LN 42 77C 0 -49,-2.1 -49,-2.4 -2,-0.3 2,-0.4 -0.980 19.1-144.8-152.4 135.5 0.7 23.3 19.5 92 92 A L E -LN 41 76C 0 -16,-2.3 -16,-3.6 -2,-0.3 2,-0.5 -0.873 14.5-158.4-101.1 139.8 -3.0 23.4 18.8 93 93 A L E -LN 40 75C 0 -53,-2.7 -53,-2.6 -2,-0.4 2,-0.5 -0.975 5.8-149.8-120.6 119.3 -4.3 25.9 16.2 94 94 A K E -LN 39 74C 51 -20,-2.7 -21,-2.6 -2,-0.5 -20,-1.4 -0.781 21.1-137.0 -88.3 129.0 -8.0 27.0 16.2 95 95 A L E - 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