==== 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 4AFU . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.SCHLATTER,S.BRACK,D.W.BANNER,S.BATEY,J.BENZ,J.BERTSCHINGER . 555 8 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 64.9 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 35.3 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 . 8 1.4 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 . 3 0.5 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 . 51 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.4 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 1 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 . 9 8 5 11 4 4 2 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 . 1 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 0 0, 0.0 2,-0.7 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 113.3 -3.5 18.8 -11.5 2 2 A I B 3 -A 173 0A 16 171,-2.3 171,-2.2 1,-0.2 126,-0.1 -0.783 360.0 -0.3 -89.7 110.2 -0.0 19.9 -12.7 3 3 A G T 3 S+ 0 0 38 -2,-0.7 -1,-0.2 125,-0.3 169,-0.2 0.802 102.7 113.3 86.2 32.7 0.1 23.6 -13.7 4 4 A G < - 0 0 24 -3,-0.6 2,-0.3 137,-0.1 137,-0.2 -0.316 61.4-108.9-112.1-162.5 -3.5 24.6 -13.0 5 5 A T E -B 140 0B 105 135,-1.8 135,-1.8 -2,-0.1 -3,-0.0 -0.967 38.6 -91.5-131.1 152.8 -5.2 26.9 -10.6 6 6 A E E -B 139 0B 103 -2,-0.3 133,-0.3 133,-0.2 132,-0.1 -0.326 52.1-114.3 -58.7 140.5 -7.4 26.1 -7.7 7 7 A C - 0 0 8 131,-2.8 -1,-0.1 1,-0.1 131,-0.0 -0.094 27.1 -95.0 -69.6 170.0 -11.1 26.0 -8.7 8 8 A K > - 0 0 111 1,-0.1 3,-2.1 131,-0.0 4,-0.3 -0.841 67.6 -93.6 -78.3 127.4 -13.9 28.3 -7.7 9 9 A P T 3 S- 0 0 58 0, 0.0 47,-0.1 0, 0.0 -1,-0.1 -0.169 100.4 -3.5 -58.5 130.5 -15.2 26.1 -4.9 10 10 A H T 3 S+ 0 0 34 45,-0.3 46,-0.1 2,-0.2 45,-0.0 0.581 93.1 122.7 66.4 9.7 -18.0 23.8 -5.7 11 11 A S S < S+ 0 0 29 -3,-2.1 -1,-0.1 1,-0.3 3,-0.1 0.675 75.6 51.6 -69.4 -18.2 -18.0 25.2 -9.2 12 12 A R S > S+ 0 0 22 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.614 71.7 169.7-116.1 65.6 -17.4 21.6 -10.3 13 13 A P T 3 S+ 0 0 11 0, 0.0 91,-2.0 0, 0.0 41,-0.2 0.563 71.2 62.1 -63.5 -8.6 -20.3 20.0 -8.4 14 14 A Y T 3 S+ 0 0 13 89,-0.2 18,-1.3 91,-0.1 2,-0.2 0.716 72.7 118.4 -85.9 -23.4 -19.8 16.7 -10.2 15 15 A M E < -I 31 0C 4 -3,-2.1 39,-0.5 16,-0.2 2,-0.3 -0.219 47.3-165.4 -52.7 110.6 -16.2 16.2 -8.9 16 16 A A E -IJ 30 53C 0 14,-2.4 14,-1.2 -2,-0.2 2,-0.5 -0.743 8.8-149.4 -94.7 146.1 -16.1 13.0 -6.8 17 17 A Y E -IJ 29 52C 36 35,-2.1 35,-2.6 -2,-0.3 2,-0.4 -0.977 14.3-152.4-116.2 125.4 -13.3 12.2 -4.5 18 18 A L E -IJ 28 51C 0 10,-3.0 10,-1.6 -2,-0.5 2,-0.5 -0.834 12.4-168.3-107.3 135.1 -12.5 8.5 -4.1 19 19 A E E -IJ 27 50C 52 31,-3.0 31,-3.0 -2,-0.4 2,-0.5 -0.962 18.9-173.7-119.6 108.4 -10.9 6.9 -1.0 20 20 A I E -IJ 26 49C 0 6,-4.5 6,-2.1 -2,-0.5 2,-0.3 -0.898 9.1-174.7-118.2 129.8 -9.9 3.3 -1.8 21 21 A V E IJ 25 48C 51 27,-3.1 27,-1.9 -2,-0.5 26,-0.9 -0.885 360.0 360.0-121.5 153.5 -8.6 0.6 0.5 22 22 A T 0 0 56 2,-1.6 3,-0.1 -2,-0.3 -1,-0.1 0.541 360.0 360.0 -98.1 360.0 -7.3 -2.9 -0.3 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 26 A P 0 0 57 0, 0.0 -2,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 173.6 -3.7 0.3 2.5 25 27 A S E +I 21 0C 55 -4,-0.2 2,-0.3 -3,-0.1 -4,-0.3 -0.810 360.0 178.9-111.9 155.1 -5.5 3.4 1.3 26 28 A K E -I 20 0C 31 -6,-2.1 -6,-4.5 -2,-0.3 2,-0.4 -0.978 13.4-144.5-152.4 154.7 -5.4 5.0 -2.2 27 29 A F E +I 19 0C 79 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.956 21.4 158.9-130.2 137.4 -7.1 8.0 -3.7 28 30 A a E -I 18 0C 9 -10,-1.6 -10,-3.0 -2,-0.4 2,-0.2 -0.827 32.2-113.1-138.6 176.5 -8.6 8.9 -7.1 29 31 A G E +I 17 0C 2 150,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.580 34.0 160.2-103.7 175.6 -11.0 11.2 -8.7 30 32 A G E -I 16 0C 0 -14,-1.2 -14,-2.4 -2,-0.2 2,-0.3 -0.924 26.8-125.2-172.7 178.2 -14.3 10.4 -10.4 31 33 A F E -IK 15 39C 2 8,-1.9 8,-3.5 -2,-0.3 2,-0.6 -0.985 20.4-111.9-143.0 158.8 -17.4 12.3 -11.4 32 34 A L E + K 0 38C 1 -18,-1.3 74,-3.6 72,-0.3 6,-0.2 -0.801 35.1 163.1 -96.3 118.2 -21.2 11.9 -10.7 33 35 A I E S+ 0 0 7 4,-1.4 2,-0.3 -2,-0.6 75,-0.2 0.670 72.5 19.2-103.9 -26.9 -23.3 10.9 -13.8 34 36 A R E > S- K 0 37C 88 3,-1.3 3,-0.6 73,-0.1 72,-0.1 -0.812 89.9-100.6-131.8 173.3 -26.4 9.7 -11.9 35 37 A R T 3 S+ 0 0 113 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.699 126.3 28.2 -71.8 -16.1 -27.6 10.4 -8.4 36 38 A N T 3 S+ 0 0 17 60,-0.2 57,-2.5 58,-0.1 2,-0.4 0.143 110.6 80.7-127.4 18.4 -26.3 6.9 -7.5 37 39 A F E < -KL 34 92C 0 -3,-0.6 -4,-1.4 55,-0.2 -3,-1.3 -0.988 49.8-167.7-134.1 134.1 -23.5 6.5 -9.9 38 40 A V E -KL 32 91C 0 53,-2.1 53,-1.8 -2,-0.4 2,-0.5 -0.941 15.6-144.0-113.3 139.5 -19.9 7.6 -10.1 39 41 A L E +KL 31 90C 6 -8,-3.5 -8,-1.9 -2,-0.4 2,-0.2 -0.899 38.5 138.1-103.9 130.7 -17.7 7.3 -13.2 40 42 A T E - L 0 89C 0 49,-2.5 49,-2.2 -2,-0.5 2,-0.3 -0.698 48.8 -73.2-149.5-164.3 -14.1 6.5 -12.7 41 43 A A > - 0 0 0 -12,-0.4 3,-1.1 47,-0.3 47,-0.3 -0.812 31.1-126.8-111.5 153.9 -11.1 4.5 -13.9 42 44 A A G > S+ 0 0 0 -2,-0.3 3,-1.0 1,-0.3 45,-0.1 0.689 102.3 67.2 -75.8 -22.5 -10.5 0.8 -13.4 43 45 A H G 3 S+ 0 0 25 1,-0.2 -1,-0.3 41,-0.1 44,-0.0 0.348 93.7 63.9 -79.6 7.9 -7.0 1.0 -11.9 44 46 A a G < S+ 0 0 0 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.587 74.3 125.1-100.7 -18.6 -8.7 2.6 -8.8 45 47 A A < + 0 0 11 -3,-1.0 2,-0.3 -4,-0.2 3,-0.1 0.109 35.9 160.2 -38.0 154.6 -10.7 -0.5 -8.0 46 48 A G - 0 0 20 1,-0.1 -24,-0.2 3,-0.0 3,-0.1 -0.991 55.3 -83.0-171.5 172.0 -10.3 -1.8 -4.4 47 49 A R S S- 0 0 193 -26,-0.9 2,-0.3 -2,-0.3 -25,-0.2 0.955 111.2 -11.6 -51.4 -53.9 -11.5 -3.8 -1.5 48 50 A S E -J 21 0C 48 -27,-1.9 -27,-3.1 -3,-0.1 2,-0.4 -0.992 67.1-154.8-152.0 151.9 -13.7 -0.9 -0.5 49 51 A I E -J 20 0C 0 21,-0.4 21,-1.8 -2,-0.3 2,-0.4 -0.989 6.0-155.1-138.4 135.2 -14.2 2.7 -1.4 50 52 A T E -JM 19 69C 27 -31,-3.0 -31,-3.0 -2,-0.4 2,-0.5 -0.865 17.2-150.7-103.5 143.3 -15.5 5.8 0.3 51 53 A V E -JM 18 68C 0 17,-1.4 17,-2.1 -2,-0.4 2,-0.5 -0.931 5.8-162.5-125.5 112.8 -16.8 8.6 -1.9 52 54 A T E +JM 17 67C 3 -35,-2.6 -35,-2.1 -2,-0.5 2,-0.3 -0.808 13.2 177.1 -95.9 123.9 -16.6 12.3 -0.9 53 55 A L E +JM 16 66C 2 13,-1.2 13,-2.2 -2,-0.5 -37,-0.1 -0.909 58.8 38.1-122.0 149.5 -18.8 14.8 -2.8 54 56 A G S S+ 0 0 4 -39,-0.5 11,-0.2 48,-0.3 10,-0.2 0.413 84.3 134.1 94.0 -0.7 -19.3 18.5 -2.2 55 57 A A + 0 0 9 -40,-0.3 -45,-0.3 1,-0.2 -1,-0.3 -0.463 27.9 162.4 -85.7 149.4 -15.7 19.2 -1.4 56 58 A H S S+ 0 0 8 1,-0.5 82,-1.3 4,-0.3 2,-0.6 0.489 85.1 40.0-115.2 -68.9 -13.3 21.8 -2.5 57 59 A N B S-O 137 0D 30 80,-0.2 -1,-0.5 3,-0.2 3,-0.5 -0.746 77.9-156.5 -73.8 118.3 -10.6 21.5 0.2 58 60 A I S S+ 0 0 24 78,-3.3 -1,-0.1 -2,-0.6 79,-0.1 0.552 89.5 48.3 -79.5 -7.8 -10.4 17.8 0.7 59 61 A T S S+ 0 0 87 77,-0.2 2,-0.7 1,-0.1 -1,-0.2 0.550 95.3 78.6-109.2 -12.0 -9.0 18.2 4.2 60 62 A E S S- 0 0 127 -3,-0.5 2,-0.5 76,-0.2 -4,-0.3 -0.878 80.0-132.7-103.5 111.5 -11.5 20.7 5.6 61 63 A E - 0 0 182 -2,-0.7 2,-0.2 -6,-0.1 -3,-0.1 -0.459 33.5-178.6 -62.9 112.5 -14.8 19.1 6.6 62 64 A E - 0 0 53 -2,-0.5 3,-0.4 -5,-0.1 -7,-0.0 -0.631 38.2-120.0-110.9 168.9 -17.5 21.2 5.1 63 65 A D S S+ 0 0 167 1,-0.2 -8,-0.1 -2,-0.2 -2,-0.1 0.512 109.5 66.8 -88.9 -5.9 -21.3 21.0 5.3 64 66 A T S S+ 0 0 45 -10,-0.2 -1,-0.2 38,-0.1 -9,-0.1 0.705 82.7 112.3 -80.0 -22.3 -21.6 20.6 1.5 65 67 A W - 0 0 40 -3,-0.4 2,-0.3 -11,-0.2 -11,-0.3 -0.053 44.8-174.9 -55.5 147.2 -19.9 17.3 1.9 66 68 A Q E -M 53 0C 38 -13,-2.2 -13,-1.2 2,-0.0 2,-0.5 -0.777 4.1-168.4-146.4 99.7 -21.5 13.9 1.2 67 69 A K E -M 52 0C 104 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.789 14.9-179.8 -89.7 125.9 -19.5 10.7 1.9 68 70 A L E -M 51 0C 24 -17,-2.1 -17,-1.4 -2,-0.5 2,-0.6 -0.985 28.2-120.7-132.1 135.4 -21.2 7.6 0.5 69 71 A E E -M 50 0C 86 -2,-0.4 25,-1.9 -19,-0.2 2,-0.7 -0.620 24.0-132.1 -77.5 118.9 -20.2 4.0 0.6 70 72 A V E -N 93 0C 15 -21,-1.8 -21,-0.4 -2,-0.6 23,-0.2 -0.591 26.3-179.6 -67.5 112.6 -19.7 2.4 -2.8 71 73 A I E + 0 0 100 21,-1.7 2,-0.3 -2,-0.7 -1,-0.2 0.421 63.9 39.5-101.1 -1.5 -21.7 -0.8 -2.6 72 74 A K E -N 92 0C 102 20,-1.1 20,-1.4 2,-0.0 2,-0.5 -0.981 61.4-159.0-146.3 143.6 -21.0 -2.0 -6.1 73 75 A Q E -N 91 0C 48 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.974 2.1-170.4-119.4 122.2 -18.0 -1.9 -8.4 74 76 A F E -N 90 0C 29 16,-3.7 16,-1.8 -2,-0.5 2,-0.3 -0.606 12.3-177.0-109.3 70.3 -18.4 -2.3 -12.2 75 77 A R E -N 89 0C 60 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.505 38.9-104.8 -67.3 130.0 -14.9 -2.7 -13.5 76 78 A H > - 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