==== 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 4AFQ . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.SCHLATTER,S.BRACK,D.W.BANNER,S.BATEY,J.BENZ,J.BERTSCHINGER . 566 5 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 63.6 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 . 202 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 . 7 1.2 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 . 38 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 4.4 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 1 0 0 0 1 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 5 7 12 4 5 0 1 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 0.000 360.0 360.0 360.0 123.7 24.2 11.2 -3.0 2 2 A I B +A 176 0A 20 174,-3.4 174,-2.0 1,-0.2 130,-0.1 -0.864 360.0 3.4-101.3 128.1 27.4 9.8 -4.6 3 3 A G S S+ 0 0 44 -2,-0.5 -1,-0.2 128,-0.4 172,-0.1 0.690 101.1 125.7 78.0 18.4 27.2 8.4 -8.2 4 4 A G - 0 0 22 -3,-0.3 2,-0.3 172,-0.1 140,-0.2 -0.149 54.2-118.5 -95.9-169.4 23.6 9.4 -8.7 5 5 A T E -B 143 0B 91 138,-2.6 138,-2.6 -3,-0.1 2,-0.2 -0.913 35.6 -89.4-130.5 155.9 21.7 11.5 -11.3 6 6 A E E -B 142 0B 108 -2,-0.3 136,-0.3 136,-0.2 2,-0.1 -0.478 48.3-119.1 -63.5 134.1 19.7 14.6 -11.0 7 7 A C - 0 0 3 134,-2.8 134,-0.1 -2,-0.2 -1,-0.1 -0.418 29.0-100.0 -69.0 150.5 16.0 13.8 -10.3 8 8 A K > - 0 0 158 1,-0.1 3,-2.2 -2,-0.1 4,-0.2 -0.592 62.9 -91.0 -63.7 126.3 13.3 14.9 -12.8 9 9 A P T 3 S- 0 0 65 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.179 104.8 -0.1 -51.6 131.0 12.1 18.0 -11.0 10 10 A H T 3 S+ 0 0 46 47,-0.3 48,-0.1 2,-0.1 -2,-0.0 0.566 91.4 123.7 68.6 16.1 9.2 17.3 -8.5 11 11 A S S < S+ 0 0 52 -3,-2.2 -1,-0.1 1,-0.3 3,-0.1 0.553 75.6 46.3 -84.2 -8.2 9.2 13.6 -9.4 12 12 A R S > S+ 0 0 28 -4,-0.2 3,-2.2 92,-0.1 -1,-0.3 -0.664 72.3 170.8-129.1 70.9 9.7 12.7 -5.7 13 13 A P T 3 + 0 0 33 0, 0.0 93,-1.6 0, 0.0 43,-0.3 0.552 68.6 65.3 -73.3 -7.3 7.1 15.0 -4.1 14 14 A Y T 3 S+ 0 0 19 91,-0.2 20,-2.5 93,-0.1 94,-0.2 0.548 75.4 118.9 -82.4 -9.8 7.3 13.6 -0.6 15 15 A M E < -I 33 0C 4 -3,-2.2 41,-0.5 18,-0.2 2,-0.4 -0.342 46.6-163.7 -67.1 136.2 11.0 14.8 -0.3 16 16 A A E -IJ 32 55C 0 16,-2.5 16,-0.7 25,-0.1 2,-0.6 -0.969 11.4-149.3-120.6 133.6 11.6 17.2 2.6 17 17 A Y E -IJ 31 54C 36 37,-2.2 37,-2.5 -2,-0.4 2,-0.5 -0.903 20.2-156.0-100.8 122.7 14.7 19.4 2.9 18 18 A L E -IJ 30 53C 0 12,-3.0 12,-1.8 -2,-0.6 2,-0.5 -0.880 12.8-167.4-107.8 129.7 15.4 20.1 6.6 19 19 A E E -IJ 29 52C 61 33,-2.7 33,-2.3 -2,-0.5 2,-0.5 -0.963 13.9-162.4-113.1 120.8 17.3 23.0 7.9 20 20 A I E -IJ 28 51C 3 8,-3.1 8,-2.4 -2,-0.5 2,-0.3 -0.905 6.1-169.1-114.6 123.7 18.3 22.5 11.6 21 21 A V E - J 0 50C 39 29,-2.9 29,-2.0 -2,-0.5 28,-0.6 -0.825 16.7-178.0-113.6 140.9 19.3 25.4 13.8 22 22 A T > - 0 0 30 3,-0.4 3,-0.7 -2,-0.3 -2,-0.0 -0.900 62.8 -59.5-133.7 114.3 20.9 25.7 17.3 23 23 A S T 3 S- 0 0 78 -2,-0.3 2,-2.9 1,-0.2 -1,-0.0 0.701 102.2 -30.9 12.1 110.4 21.4 29.3 18.5 24 24 A N T 3 S+ 0 0 163 1,-0.1 -1,-0.2 -3,-0.0 3,-0.1 -0.152 109.0 100.9 69.4 -47.3 23.6 31.7 16.4 25 25 A G S < S- 0 0 18 -2,-2.9 -3,-0.4 -3,-0.7 -1,-0.1 -0.137 87.5 -69.8 -66.8 167.6 26.0 29.0 15.1 26 26 A P - 0 0 73 0, 0.0 -4,-0.2 0, 0.0 -1,-0.2 -0.153 52.6-116.9 -61.8 152.3 25.7 27.6 11.5 27 27 A S - 0 0 30 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.2 -0.281 18.4-139.3 -78.7 168.1 22.8 25.3 10.6 28 28 A K E -I 20 0C 37 -8,-2.4 -8,-3.1 18,-0.1 2,-0.4 -0.864 14.4-140.1-122.5 163.9 23.0 21.7 9.5 29 29 A F E +I 19 0C 86 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.959 22.6 164.1-131.9 142.8 20.9 20.0 6.8 30 30 A a E -I 18 0C 9 -12,-1.8 -12,-3.0 -2,-0.4 153,-0.2 -0.911 30.4-115.2-141.7 167.8 19.2 16.7 6.4 31 31 A G E +I 17 0C 2 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.437 34.8 159.7 -92.2 178.9 16.6 15.0 4.3 32 32 A G E -I 16 0C 0 -16,-0.7 -16,-2.5 -2,-0.2 2,-0.3 -0.953 26.7-122.0-178.9 179.3 13.2 13.6 5.3 33 33 A F E -IK 15 41C 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.5 -0.997 19.7-114.4-151.3 144.0 9.9 12.7 3.8 34 34 A L E + K 0 40C 0 -20,-2.5 74,-2.3 -2,-0.3 6,-0.2 -0.612 35.2 163.6 -77.5 120.4 6.3 13.7 4.2 35 35 A I E S+ 0 0 2 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.571 72.4 15.4-113.4 -15.6 4.1 10.8 5.6 36 36 A R E > S- K 0 39C 105 3,-1.6 3,-1.7 70,-0.1 -1,-0.4 -0.931 92.5 -96.9-144.0 162.6 1.1 12.9 6.6 37 37 A R T 3 S+ 0 0 101 -2,-0.3 62,-2.7 1,-0.3 60,-0.1 0.820 127.1 26.3 -53.9 -30.1 0.1 16.4 5.7 38 38 A N T 3 S+ 0 0 27 60,-0.2 57,-2.5 58,-0.1 2,-0.4 0.084 110.8 79.3-121.3 24.2 1.7 17.6 9.0 39 39 A F E < -KL 36 94C 4 -3,-1.7 -4,-2.7 55,-0.2 -3,-1.6 -0.991 49.7-171.4-134.9 134.0 4.3 14.9 9.7 40 40 A V E -KL 34 93C 0 53,-2.3 53,-2.8 -2,-0.4 2,-0.4 -0.946 14.4-144.8-118.6 134.4 7.7 14.4 8.3 41 41 A L E +KL 33 92C 0 -8,-2.8 -8,-2.2 -2,-0.4 2,-0.2 -0.850 35.5 142.2 -93.9 138.6 9.9 11.3 9.0 42 42 A T E - L 0 91C 0 49,-2.3 49,-2.3 -2,-0.4 2,-0.3 -0.840 51.5 -64.7-153.9-170.5 13.6 11.7 9.3 43 43 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.649 35.1-129.5 -86.1 143.9 16.7 10.4 11.3 44 44 A A G > S+ 0 0 1 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.814 106.7 63.6 -54.0 -37.2 17.0 11.0 15.1 45 45 A H G 3 S+ 0 0 19 1,-0.3 -1,-0.2 41,-0.1 44,-0.0 0.577 90.2 68.9 -73.2 -6.7 20.5 12.4 14.7 46 46 A a G < S+ 0 0 0 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.421 74.9 121.9 -85.8 -1.3 19.0 15.3 12.6 47 47 A A < + 0 0 11 -3,-1.7 2,-0.3 -4,-0.1 -27,-0.1 -0.183 31.0 149.9 -59.6 154.7 17.3 16.7 15.8 48 48 A G - 0 0 16 1,-0.1 -26,-0.2 3,-0.0 3,-0.1 -0.950 59.8 -76.0-170.2-177.8 18.2 20.3 16.9 49 49 A R S S+ 0 0 206 -28,-0.6 2,-0.3 -2,-0.3 -27,-0.2 0.925 111.5 4.0 -63.6 -45.9 16.7 23.2 18.6 50 50 A S E -J 21 0C 60 -29,-2.0 -29,-2.9 -3,-0.1 2,-0.4 -0.989 66.6-162.0-142.2 149.6 14.5 24.3 15.7 51 51 A I E -J 20 0C 2 21,-0.3 21,-2.4 -2,-0.3 2,-0.4 -0.998 5.5-161.8-135.5 133.3 13.8 22.9 12.3 52 52 A T E -JM 19 71C 20 -33,-2.3 -33,-2.7 -2,-0.4 2,-0.5 -0.950 13.9-154.1-109.2 135.1 12.4 24.4 9.1 53 53 A V E -JM 18 70C 0 17,-3.1 17,-2.8 -2,-0.4 2,-0.6 -0.942 2.4-158.9-110.4 133.7 11.1 22.0 6.4 54 54 A T E -JM 17 69C 5 -37,-2.5 -37,-2.2 -2,-0.5 2,-0.3 -0.951 13.1-175.9-109.0 118.9 10.9 22.8 2.7 55 55 A L E +JM 16 68C 0 13,-2.6 13,-2.0 -2,-0.6 -39,-0.1 -0.753 62.5 35.0-105.6 155.7 8.5 20.8 0.6 56 56 A G S S+ 0 0 2 -41,-0.5 2,-0.2 48,-0.4 10,-0.2 0.600 85.6 142.8 80.3 16.0 8.1 21.1 -3.1 57 57 A A + 0 0 9 -42,-0.4 -47,-0.3 -3,-0.3 -1,-0.2 -0.536 26.2 158.3 -93.5 152.0 11.7 21.7 -3.9 58 58 A H S S+ 0 0 11 1,-0.4 83,-1.1 4,-0.3 2,-0.8 0.461 84.4 31.0-122.3 -70.7 14.1 20.7 -6.6 59 59 A N B > S-O 140 0D 22 81,-0.2 3,-1.7 3,-0.2 -1,-0.4 -0.831 75.7-157.8 -84.8 108.7 16.9 23.2 -6.6 60 60 A I T 3 S+ 0 0 23 79,-2.8 -1,-0.1 -2,-0.8 80,-0.1 0.626 87.7 58.4 -69.4 -9.4 17.0 24.2 -2.9 61 61 A T T 3 S+ 0 0 86 78,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.526 96.8 68.6 -93.2 -8.4 18.7 27.5 -3.8 62 62 A E S < S- 0 0 116 -3,-1.7 -4,-0.3 77,-0.2 -3,-0.2 -0.880 77.5-141.9-121.5 99.1 15.9 28.7 -6.0 63 63 A E + 0 0 161 -2,-0.6 2,-0.3 -3,-0.1 -2,-0.1 -0.249 29.3 176.2 -52.2 138.4 12.6 29.6 -4.4 64 64 A E > - 0 0 77 1,-0.0 3,-1.8 -8,-0.0 -1,-0.0 -0.940 45.2-101.1-144.5 171.7 9.6 28.6 -6.5 65 65 A D T 3 S+ 0 0 170 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.684 115.6 63.8 -68.1 -21.8 5.8 28.5 -6.4 66 66 A T T 3 S+ 0 0 41 -10,-0.2 -1,-0.3 2,-0.0 -9,-0.1 0.613 81.7 111.4 -73.5 -15.8 5.8 24.8 -5.5 67 67 A W < - 0 0 41 -3,-1.8 2,-0.4 -11,-0.1 -11,-0.2 -0.358 42.4-177.4 -67.3 137.2 7.6 25.5 -2.2 68 68 A Q E -M 55 0C 35 -13,-2.0 -13,-2.6 -2,-0.1 2,-0.6 -0.938 9.7-168.7-129.2 106.9 5.8 25.1 1.1 69 69 A K E +M 54 0C 109 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.900 13.7 176.9-103.2 116.5 8.2 26.1 3.8 70 70 A L E -M 53 0C 18 -17,-2.8 -17,-3.1 -2,-0.6 2,-0.2 -0.950 26.8-125.3-128.3 140.4 6.9 25.1 7.2 71 71 A E E -M 52 0C 92 -2,-0.4 25,-2.9 -19,-0.2 2,-0.5 -0.563 25.8-122.5 -81.2 143.7 8.2 25.3 10.8 72 72 A V E -N 95 0C 22 -21,-2.4 -21,-0.3 23,-0.2 23,-0.3 -0.782 24.6-175.6 -82.3 129.2 8.4 22.2 12.9 73 73 A I E + 0 0 93 21,-2.6 2,-0.3 -2,-0.5 22,-0.2 0.662 67.5 18.8 -99.6 -22.0 6.4 22.6 16.2 74 74 A K E -N 94 0C 111 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.978 61.3-151.7-151.0 140.5 7.3 19.3 17.9 75 75 A Q E -N 93 0C 61 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.939 4.5-166.0-109.9 131.1 10.0 16.7 17.5 76 76 A F E -N 92 0C 24 16,-3.1 16,-2.3 -2,-0.4 2,-0.3 -0.840 11.6-173.3-117.7 90.4 9.4 13.1 18.5 77 77 A R E -N 91 0C 76 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.644 40.1 -95.0 -81.2 138.6 12.8 11.4 18.7 78 78 A H > - 0 0 18 12,-2.3 3,-1.7 -2,-0.3 -1,-0.1 -0.307 32.1-133.5 -53.7 132.6 12.6 7.6 19.2 79 79 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.706 101.9 50.1 -66.7 -18.8 12.9 7.0 23.0 80 80 A K T 3 S+ 0 0 144 8,-0.1 7,-0.1 403,-0.1 -2,-0.1 0.395 76.3 138.4 -98.9 3.6 15.6 4.2 22.6 81 81 A Y < - 0 0 4 -3,-1.7 2,-0.4 7,-0.2 7,-0.2 -0.202 31.0-172.6 -51.9 132.0 17.9 6.2 20.3 82 82 A N > - 0 0 43 5,-1.2 4,-1.9 401,-0.1 5,-0.3 -0.999 24.3-147.2-135.6 131.1 21.5 5.6 21.3 83 83 A T T 4 S+ 0 0 1 401,-2.8 402,-0.2 -2,-0.4 -1,-0.1 0.657 94.4 57.8 -78.4 -14.8 24.6 7.4 19.9 84 84 A S T 4 S+ 0 0 8 400,-0.3 -1,-0.2 1,-0.1 74,-0.2 0.920 126.0 17.8 -75.1 -45.5 27.0 4.4 20.2 85 85 A T T 4 S- 0 0 16 2,-0.1 -2,-0.2 72,-0.1 -1,-0.1 0.658 90.2-139.5 -95.7 -20.9 25.0 2.0 18.1 86 86 A L >< + 0 0 1 -4,-1.9 3,-0.8 1,-0.2 -3,-0.2 0.713 44.9 163.4 54.3 25.1 22.7 4.7 16.3 87 87 A H T 3 + 0 0 25 -5,-0.3 -5,-1.2 1,-0.2 -1,-0.2 -0.426 59.4 22.9 -65.5 147.1 20.0 2.1 16.8 88 88 A H T 3 S+ 0 0 26 1,-0.2 2,-2.2 -7,-0.2 -10,-0.3 0.867 74.8 173.3 63.4 42.8 16.5 3.6 16.5 89 89 A D < + 0 0 0 -3,-0.8 2,-0.3 -46,-0.1 -1,-0.2 -0.524 37.2 113.7 -81.6 74.8 17.8 6.5 14.3 90 90 A I + 0 0 0 -2,-2.2 -12,-2.3 -47,-0.3 2,-0.3 -0.997 37.0 173.4-149.4 143.9 14.3 7.7 13.6 91 91 A M E -LN 42 77C 0 -49,-2.3 -49,-2.3 -2,-0.3 2,-0.4 -0.984 20.8-140.8-153.1 142.4 12.2 10.8 14.5 92 92 A L E -LN 41 76C 0 -16,-2.3 -16,-3.1 -2,-0.3 2,-0.5 -0.866 14.5-155.0-104.1 143.8 8.9 12.3 13.6 93 93 A L E -LN 40 75C 0 -53,-2.8 -53,-2.3 -2,-0.4 2,-0.5 -0.978 4.5-150.1-120.5 119.4 8.4 16.0 13.0 94 94 A K E -LN 39 74C 49 -20,-2.7 -21,-2.6 -2,-0.5 -20,-1.2 -0.787 19.6-140.5 -87.1 128.1 5.0 17.6 13.5 95 95 A L E - 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