==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-APR-10 3MOC . COMPND 2 MOLECULE: CHYMOTRYPSIN-LIKE ELASTASE FAMILY MEMBER 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.PETROVA,S.GINELL,Y.KIM,G.JOACHIMIAK,A.JOACHIMIAK . 240 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 2 2 5 2 1 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 0 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 16 A V > 0 0 1 0, 0.0 3,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.7 -11.3 -4.3 1.4 2 17 A V B 3 +A 182 0A 8 180,-2.1 180,-1.7 1,-0.2 134,-0.1 -0.764 360.0 11.8 -95.4 138.7 -14.8 -5.1 2.6 3 18 A G T 3 S+ 0 0 40 132,-0.6 146,-0.3 -2,-0.4 -1,-0.2 0.778 98.8 140.2 68.5 30.2 -16.3 -8.6 2.0 4 19 A G < - 0 0 20 -3,-0.7 2,-0.3 131,-0.1 144,-0.2 -0.273 44.4-137.5 -95.8 179.7 -12.8 -9.9 1.0 5 20 A T E -B 147 0B 86 142,-2.4 142,-2.5 -2,-0.1 2,-0.2 -0.949 37.9 -84.1-133.4 158.2 -11.0 -13.1 1.7 6 21 A E E -B 146 0B 116 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.417 46.8-130.0 -64.6 129.8 -7.4 -13.7 2.6 7 22 A A - 0 0 4 138,-2.5 2,-0.1 -2,-0.2 138,-0.1 -0.468 23.1-104.7 -74.6 149.8 -5.1 -13.7 -0.4 8 23 A Q > - 0 0 128 -2,-0.1 3,-1.6 1,-0.1 4,-0.4 -0.484 37.8-113.6 -69.5 150.4 -2.6 -16.5 -1.0 9 24 A R T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.712 112.2 38.8 -72.3 -14.0 0.9 -15.2 -0.2 10 25 A N T 3 S+ 0 0 74 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.281 89.7 93.1-113.7 16.4 2.1 -15.4 -3.7 11 26 A S S < S+ 0 0 52 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.840 93.7 28.9 -73.1 -35.8 -1.0 -14.3 -5.7 12 27 A W > + 0 0 27 -4,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.591 64.7 165.3-130.8 68.7 -0.3 -10.6 -6.1 13 28 A P T 3 S+ 0 0 36 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.635 72.3 61.1 -72.8 -9.2 3.4 -10.1 -6.1 14 29 A S T 3 S+ 0 0 10 95,-0.2 20,-2.7 97,-0.1 98,-0.2 0.558 79.7 110.9 -89.9 -4.8 3.3 -6.5 -7.5 15 30 A Q E < -I 33 0C 8 -3,-1.6 43,-0.5 18,-0.2 44,-0.4 -0.442 47.1-174.5 -70.7 133.2 1.3 -5.2 -4.4 16 31 A I E -IJ 32 57C 1 16,-2.1 16,-0.8 -2,-0.2 2,-0.5 -0.899 22.4-132.7-124.5 159.3 3.1 -2.9 -2.0 17 32 A S E -IJ 31 56C 0 39,-2.2 39,-2.1 -2,-0.3 2,-0.6 -0.963 15.7-152.8-108.5 121.8 2.3 -1.2 1.3 18 33 A L E -IJ 30 55C 0 12,-3.2 11,-3.0 -2,-0.5 12,-1.7 -0.873 23.7-177.9 -94.0 126.2 3.0 2.5 1.6 19 34 A Q E -IJ 28 54C 10 35,-2.7 35,-2.3 -2,-0.6 2,-0.3 -0.863 17.2-149.5-124.7 154.5 3.7 3.3 5.2 20 35 A Y E -IJ 27 53C 56 7,-2.4 7,-2.4 -2,-0.3 2,-0.4 -0.892 30.5-103.2-124.3 155.0 4.5 6.5 7.2 21 36 A R E -I 26 0C 127 31,-1.5 2,-0.5 -2,-0.3 31,-0.3 -0.643 36.0-176.4 -80.9 127.3 6.6 7.0 10.3 22 36AA S E > -I 25 0C 60 3,-2.7 3,-2.2 -2,-0.4 2,-0.4 -0.934 59.5 -58.7-127.0 101.7 4.3 7.5 13.3 23 36BA G T 3 S- 0 0 67 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.457 121.0 -15.3 60.9-115.4 6.4 8.2 16.4 24 36CA S T 3 S+ 0 0 116 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.433 133.1 53.2 -97.9 -1.0 8.7 5.2 16.9 25 37 A S E < S-I 22 0C 76 -3,-2.2 -3,-2.7 -5,-0.0 2,-0.4 -0.530 77.0-115.1-125.5-174.8 6.9 3.0 14.5 26 38 A W E -I 21 0C 68 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.962 23.7-160.7-126.8 147.9 5.5 2.8 11.0 27 39 A A E -I 20 0C 31 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.2 -0.990 22.7-113.1-134.3 140.1 1.9 2.5 10.0 28 40 A H E +I 19 0C 19 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.441 39.6 160.9 -68.2 134.0 0.2 1.4 6.8 29 41 A T E - 0 0 20 -11,-3.0 2,-0.3 1,-0.4 159,-0.2 0.690 56.5 -3.4-119.9 -40.7 -1.6 4.2 4.9 30 42 A C E -I 18 0C 7 -12,-1.7 -12,-3.2 157,-0.1 -1,-0.4 -0.937 58.1-121.0-149.8 167.3 -2.1 3.2 1.3 31 43 A G E +I 17 0C 2 157,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.397 30.5 165.0-101.1-175.0 -1.5 0.5 -1.3 32 44 A G E -I 16 0C 0 -16,-0.8 -16,-2.1 -2,-0.1 2,-0.4 -0.942 30.7-104.9 177.3 179.3 0.3 0.7 -4.6 33 45 A T E -IK 15 41C 0 8,-2.5 8,-2.7 -2,-0.3 2,-0.5 -0.991 22.0-126.4-131.2 132.9 1.9 -1.3 -7.4 34 46 A L E + K 0 40C 0 -20,-2.7 78,-3.5 -2,-0.4 6,-0.2 -0.641 34.2 166.2 -74.9 123.1 5.5 -2.0 -8.2 35 47 A I E + 0 0 3 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.599 66.5 15.0-117.1 -19.5 6.0 -1.0 -11.9 36 48 A R E > S- K 0 39C 91 3,-1.7 3,-1.3 74,-0.1 -1,-0.3 -0.939 89.9 -98.3-136.9 167.5 9.8 -0.9 -12.2 37 49 A Q T 3 S+ 0 0 85 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.818 127.7 25.4 -58.1 -23.8 12.4 -2.2 -9.8 38 50 A N T 3 S+ 0 0 52 64,-0.2 61,-2.7 62,-0.1 2,-0.4 0.197 111.8 78.0-125.0 21.7 12.7 1.3 -8.5 39 51 A W E < -KL 36 98C 5 -3,-1.3 -4,-2.5 59,-0.2 -3,-1.7 -0.996 51.1-169.4-132.1 139.5 9.3 2.8 -9.3 40 52 A V E -KL 34 97C 0 57,-2.4 57,-3.0 -2,-0.4 2,-0.5 -0.924 11.8-147.1-122.2 141.8 5.9 2.5 -7.5 41 53 A M E +KL 33 96C 0 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.2 -0.940 33.2 145.1-107.7 133.9 2.5 3.7 -8.8 42 54 A T E - L 0 95C 0 53,-2.6 53,-2.0 -2,-0.5 2,-0.3 -0.745 51.1 -68.6-147.8-171.5 -0.1 4.8 -6.3 43 55 A A >> - 0 0 0 -12,-0.4 3,-0.8 51,-0.2 4,-0.6 -0.708 33.7-131.9 -88.1 146.0 -2.9 7.4 -6.0 44 56 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.874 106.4 60.0 -59.2 -39.0 -2.1 11.1 -5.7 45 57 A H G >4 S+ 0 0 54 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.753 94.5 66.7 -69.8 -18.2 -4.3 11.7 -2.7 46 58 A C G <4 S+ 0 0 3 -3,-0.8 3,-0.3 1,-0.2 -1,-0.3 0.799 106.2 40.0 -67.4 -29.7 -2.2 9.1 -0.8 47 59 A V G << S+ 0 0 15 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.070 81.8 106.3-112.5 27.6 0.8 11.4 -0.8 48 60 A D < + 0 0 61 -3,-1.0 -1,-0.2 2,-0.1 2,-0.1 0.868 66.0 79.0 -68.6 -38.7 -1.1 14.7 -0.2 49 61 A R S S- 0 0 124 -4,-0.3 2,-1.9 -3,-0.3 0, 0.0 -0.453 88.6-120.2 -77.1 146.9 0.2 14.8 3.4 50 62 A E + 0 0 198 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.532 64.8 136.7 -82.9 72.2 3.8 16.0 4.2 51 63 A L - 0 0 64 -2,-1.9 2,-0.6 -4,-0.1 -31,-0.0 -0.656 62.9-104.3-114.2 167.0 4.9 12.7 5.9 52 64 A T - 0 0 93 -31,-0.3 -31,-1.5 -2,-0.2 2,-0.3 -0.873 48.1-165.1 -86.8 123.3 8.0 10.4 5.8 53 65 A F E -J 20 0C 16 -2,-0.6 21,-1.3 -33,-0.2 2,-0.3 -0.802 18.0-177.7-113.7 152.7 7.1 7.4 3.6 54 65AA R E -JM 19 73C 49 -35,-2.3 -35,-2.7 -2,-0.3 2,-0.4 -0.957 19.8-134.3-137.1 159.1 8.5 4.0 3.0 55 66 A V E -JM 18 72C 0 17,-2.8 17,-2.7 -2,-0.3 2,-0.5 -0.916 11.7-160.0-112.1 139.8 7.5 1.2 0.7 56 67 A V E -JM 17 71C 0 -39,-2.1 -39,-2.2 -2,-0.4 3,-0.3 -0.987 10.0-173.2-119.7 121.7 7.3 -2.4 1.8 57 68 A V E +JM 16 70C 2 13,-2.2 13,-1.9 -2,-0.5 -41,-0.1 -0.752 68.0 30.9-109.1 160.6 7.3 -5.1 -0.9 58 69 A G S S+ 0 0 6 -43,-0.5 10,-0.2 50,-0.5 2,-0.2 0.774 85.5 152.2 63.7 27.0 6.7 -8.8 -0.4 59 70 A E + 0 0 20 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.621 15.9 153.5 -88.8 146.8 4.4 -8.0 2.5 60 71 A H + 0 0 9 1,-0.3 85,-1.7 -2,-0.2 2,-0.6 0.494 68.9 34.8-133.7 -51.5 1.6 -10.3 3.6 61 72 A N B > -O 144 0D 11 3,-0.3 3,-1.1 83,-0.2 -1,-0.3 -0.932 63.1-158.1-111.6 118.7 0.8 -9.8 7.3 62 73 A L T 3 S+ 0 0 36 81,-3.0 -1,-0.1 -2,-0.6 82,-0.1 0.745 91.5 44.8 -66.2 -20.8 1.2 -6.2 8.5 63 74 A N T 3 S+ 0 0 111 80,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.146 110.0 49.9-112.6 12.5 1.6 -7.3 12.1 64 75 A Q S < S- 0 0 126 -3,-1.1 2,-0.4 79,-0.1 -3,-0.3 -0.995 87.3 -98.2-146.9 153.9 4.0 -10.3 11.9 65 76 A N - 0 0 134 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.592 33.0-178.4 -73.2 124.1 7.4 -11.1 10.3 66 77 A N - 0 0 30 -2,-0.4 -1,-0.2 -5,-0.1 -4,-0.0 0.651 36.6-128.0 -93.9 -21.2 6.7 -13.0 7.0 67 78 A G S S+ 0 0 59 2,-0.0 -2,-0.1 1,-0.0 -8,-0.1 0.642 93.7 75.3 81.5 17.5 10.3 -13.5 6.1 68 79 A T + 0 0 27 -10,-0.2 2,-0.2 -11,-0.1 -9,-0.1 0.341 62.6 120.2-137.5 -3.1 9.9 -12.0 2.6 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.467 38.3-167.5 -76.5 139.9 9.6 -8.2 3.2 70 81 A Q E -M 57 0C 44 -13,-1.9 -13,-2.2 -2,-0.2 2,-0.5 -0.996 11.8-153.3-118.5 136.1 12.0 -5.6 1.7 71 82 A Y E +M 56 0C 113 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.903 17.9 175.3-111.8 130.9 11.8 -2.1 3.1 72 83 A V E -M 55 0C 10 -17,-2.7 -17,-2.8 -2,-0.5 2,-0.2 -0.975 26.0-122.5-134.4 148.5 12.8 0.8 1.0 73 84 A G E -M 54 0C 30 -2,-0.3 27,-2.7 -19,-0.2 2,-0.6 -0.550 27.0-116.1 -82.7 155.4 12.7 4.6 1.4 74 85 A V E +N 99 0C 33 -21,-1.3 25,-0.2 25,-0.2 -21,-0.2 -0.850 30.7 179.7 -92.9 119.5 10.8 6.9 -1.0 75 86 A Q E + 0 0 111 23,-2.6 2,-0.3 -2,-0.6 24,-0.2 0.783 64.2 10.3 -90.6 -35.9 13.3 9.2 -2.8 76 87 A K E -N 98 0C 86 22,-1.5 22,-2.1 2,-0.0 2,-0.5 -0.997 58.7-152.8-146.8 145.4 11.1 11.3 -5.0 77 88 A I E -N 97 0C 70 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.982 8.7-173.6-121.2 121.9 7.4 11.8 -5.5 78 89 A V E -N 96 0C 30 18,-3.0 18,-2.6 -2,-0.5 2,-0.3 -0.934 7.7-170.8-113.4 109.2 5.9 12.8 -8.8 79 90 A V E -N 95 0C 47 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.708 40.9 -88.5 -94.6 149.9 2.2 13.6 -8.7 80 91 A H > - 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