==== 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 01-MAY-10 3MU1 . COMPND 2 MOLECULE: CHYMOTRYPSIN-LIKE ELASTASE FAMILY MEMBER 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.PETROVA,S.GINELL,A.MITSCHLER,A.COUSIDO-SIAH,I.HAZEMANN,A.P . 240 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10648.0 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 . 84 35.0 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 . 6 2.5 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 . 10 4.2 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 1 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 . 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 . 6 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,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.0 -11.3 -4.3 1.4 2 17 A V B 3 +A 182 0A 10 180,-2.2 180,-1.7 1,-0.2 134,-0.1 -0.766 360.0 11.5 -92.6 137.1 -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 0.766 97.4 138.9 70.1 28.6 -16.1 -8.6 1.9 4 19 A G < - 0 0 22 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.276 45.5-135.5 -94.8-178.1 -12.8 -9.9 0.9 5 20 A T E -B 147 0B 87 142,-2.4 142,-2.6 -2,-0.1 2,-0.1 -0.944 38.7 -84.3-132.8 153.6 -10.9 -13.2 1.6 6 21 A E E -B 146 0B 122 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.377 45.8-129.5 -59.9 131.8 -7.3 -13.7 2.6 7 22 A A - 0 0 3 138,-2.5 2,-0.2 53,-0.1 138,-0.1 -0.556 21.9-108.2 -76.0 149.0 -5.0 -13.7 -0.4 8 23 A Q > - 0 0 133 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.501 36.8-114.1 -67.6 150.3 -2.5 -16.5 -0.9 9 24 A R T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.700 111.8 40.6 -72.4 -13.3 1.0 -15.1 -0.2 10 25 A N T 3 S+ 0 0 71 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.315 91.4 92.2-111.0 15.9 2.3 -15.5 -3.7 11 26 A S S < S+ 0 0 52 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.872 94.4 25.1 -70.1 -39.6 -0.8 -14.4 -5.6 12 27 A W > + 0 0 24 -4,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.617 65.5 166.4-130.3 67.8 -0.3 -10.6 -6.0 13 28 A P T 3 S+ 0 0 32 0, 0.0 97,-1.6 0, 0.0 45,-0.3 0.598 71.3 61.3 -73.4 -6.7 3.5 -10.0 -6.0 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.6 97,-0.1 98,-0.2 0.542 78.9 110.4 -92.9 -4.0 3.3 -6.4 -7.3 15 30 A Q E < -I 33 0C 7 -3,-1.7 43,-0.5 18,-0.2 44,-0.4 -0.475 48.0-174.3 -71.5 132.9 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 -0.870 23.3-130.5-122.2 164.0 3.0 -2.9 -2.0 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.5 -2,-0.3 2,-0.6 -0.972 16.1-152.5-111.1 120.6 2.3 -1.2 1.3 18 33 A L E -IJ 30 55C 0 12,-3.0 11,-2.9 -2,-0.5 12,-1.7 -0.884 24.4-176.7 -94.3 122.2 3.0 2.5 1.5 19 34 A Q E -IJ 28 54C 11 35,-2.8 35,-2.3 -2,-0.6 2,-0.3 -0.860 17.1-149.1-121.5 152.7 3.7 3.4 5.1 20 35 A Y E -IJ 27 53C 52 7,-2.5 7,-2.4 -2,-0.3 2,-0.4 -0.902 30.5-103.2-121.6 156.8 4.4 6.6 6.9 21 36 A R E -I 26 0C 130 31,-1.8 2,-0.5 -2,-0.3 31,-0.3 -0.629 36.7-178.1 -83.6 128.3 6.6 7.1 10.0 22 36AA S E > -I 25 0C 61 3,-3.2 3,-2.1 -2,-0.4 2,-0.4 -0.932 59.8 -61.8-132.3 94.5 4.3 7.5 13.0 23 36BA G T 3 S- 0 0 67 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.434 119.3 -13.8 60.9-114.1 6.6 8.2 16.0 24 36CA S T 3 S+ 0 0 133 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.470 134.1 59.0 -93.4 -4.8 8.9 5.2 16.6 25 37 A S E < S-I 22 0C 74 -3,-2.1 -3,-3.2 -5,-0.0 2,-0.4 -0.519 76.3-121.3-122.0 176.5 6.8 3.1 14.2 26 38 A W E -I 21 0C 80 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.953 23.6-159.6-121.6 146.9 5.6 2.9 10.7 27 39 A A E -I 20 0C 27 -7,-2.4 -7,-2.5 -2,-0.4 2,-0.2 -0.991 21.0-115.4-131.2 137.0 1.9 2.7 9.8 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.432 39.8 159.6 -66.1 131.9 0.2 1.5 6.6 29 41 A T E - 0 0 20 -11,-2.9 2,-0.3 1,-0.4 157,-0.2 0.700 56.6 -3.6-119.5 -36.6 -1.6 4.2 4.8 30 42 A C E -I 18 0C 5 -12,-1.7 -12,-3.0 157,-0.1 -1,-0.4 -0.921 58.5-118.0-149.7 168.1 -2.1 3.1 1.2 31 43 A G E +I 17 0C 2 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.454 30.2 166.8-100.1-177.8 -1.5 0.5 -1.4 32 44 A G E -I 16 0C 0 -16,-0.8 -16,-2.1 -2,-0.2 2,-0.4 -0.955 30.2-107.4-178.6 179.7 0.4 0.7 -4.6 33 45 A T E -IK 15 41C 0 8,-2.2 8,-2.9 -2,-0.3 2,-0.5 -0.997 23.0-127.1-130.4 130.7 1.9 -1.3 -7.4 34 46 A L E + K 0 40C 0 -20,-2.6 78,-3.3 -2,-0.4 6,-0.2 -0.646 34.0 167.0 -75.4 119.0 5.5 -2.0 -8.1 35 47 A I E + 0 0 3 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.635 66.2 12.3-111.6 -24.2 6.0 -1.0 -11.8 36 48 A R E > S- K 0 39C 88 3,-1.8 3,-1.4 74,-0.1 -1,-0.3 -0.928 89.1 -97.4-136.0 168.6 9.8 -0.9 -12.0 37 49 A Q T 3 S+ 0 0 83 -2,-0.3 66,-2.3 1,-0.3 64,-0.1 0.796 127.6 26.8 -58.5 -21.0 12.4 -2.2 -9.6 38 50 A N T 3 S+ 0 0 50 64,-0.2 61,-2.7 62,-0.1 2,-0.4 0.142 112.2 77.0-127.7 20.7 12.7 1.4 -8.3 39 51 A W E < -KL 36 98C 4 -3,-1.4 -4,-2.5 59,-0.2 -3,-1.8 -0.992 50.5-170.2-138.0 140.5 9.3 2.8 -9.1 40 52 A V E -KL 34 97C 0 57,-2.3 57,-3.2 -2,-0.4 2,-0.5 -0.931 12.8-146.0-122.8 141.7 5.8 2.5 -7.5 41 53 A M E +KL 33 96C 0 -8,-2.9 -8,-2.2 -2,-0.4 55,-0.2 -0.947 33.3 146.7-107.8 131.1 2.5 3.7 -8.7 42 54 A T E - L 0 95C 0 53,-2.5 53,-2.2 -2,-0.5 2,-0.3 -0.678 50.8 -72.2-143.4-171.9 -0.1 4.9 -6.2 43 55 A A >> - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.5 -0.717 34.0-131.3 -88.2 143.6 -2.9 7.4 -5.9 44 56 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.874 106.6 61.8 -59.9 -39.2 -2.0 11.1 -5.7 45 57 A H G >4 S+ 0 0 56 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.757 94.7 64.0 -64.9 -19.3 -4.3 11.6 -2.7 46 58 A C G <4 S+ 0 0 5 -3,-0.9 -1,-0.2 1,-0.2 3,-0.2 0.736 108.3 40.3 -71.4 -26.0 -2.2 9.0 -0.7 47 59 A V G << S+ 0 0 15 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.053 82.2 104.5-115.0 28.7 0.9 11.4 -0.9 48 60 A D < + 0 0 56 -3,-0.9 2,-0.2 2,-0.1 -1,-0.1 0.841 66.9 81.0 -70.1 -37.0 -1.0 14.7 -0.3 49 61 A R S S- 0 0 125 -4,-0.3 2,-2.0 -3,-0.2 0, 0.0 -0.473 88.7-120.6 -79.2 147.6 0.3 14.8 3.2 50 62 A E + 0 0 197 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.356 66.0 136.4 -81.3 60.6 3.8 16.0 4.1 51 63 A L - 0 0 59 -2,-2.0 2,-0.6 -4,-0.0 -29,-0.1 -0.519 63.0-106.5-107.0 166.0 4.9 12.7 5.7 52 64 A T - 0 0 68 -31,-0.3 -31,-1.8 -2,-0.2 2,-0.3 -0.881 46.9-164.7 -88.7 122.2 8.0 10.5 5.6 53 65 A F E -J 20 0C 16 -2,-0.6 21,-1.3 -33,-0.2 2,-0.3 -0.764 18.1-178.4-112.3 153.7 7.1 7.5 3.5 54 65AA R E -JM 19 73C 49 -35,-2.3 -35,-2.8 -2,-0.3 2,-0.4 -0.939 20.0-134.1-137.5 156.8 8.5 4.0 2.9 55 66 A V E -JM 18 72C 0 17,-2.8 17,-2.5 -2,-0.3 2,-0.5 -0.934 11.4-158.0-108.6 139.5 7.4 1.2 0.6 56 67 A V E -JM 17 71C 0 -39,-2.5 -39,-2.1 -2,-0.4 3,-0.3 -0.977 10.3-173.8-118.6 124.8 7.2 -2.4 1.7 57 68 A V E +JM 16 70C 1 13,-2.4 13,-1.9 -2,-0.5 -41,-0.1 -0.779 67.9 32.4-112.4 157.0 7.3 -5.1 -0.9 58 69 A G S S+ 0 0 5 -43,-0.5 10,-0.3 50,-0.5 2,-0.3 0.822 84.7 150.3 67.9 28.5 6.8 -8.8 -0.3 59 70 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.737 16.3 151.7 -96.2 142.9 4.4 -8.0 2.5 60 71 A H S S+ 0 0 10 1,-0.4 85,-1.8 -2,-0.3 2,-0.6 0.488 72.2 35.3-130.5 -49.1 1.5 -10.3 3.5 61 72 A N B > -O 144 0D 13 3,-0.2 3,-1.0 83,-0.2 -1,-0.4 -0.917 65.4-158.4-114.0 118.1 0.9 -9.7 7.2 62 73 A L T 3 S+ 0 0 35 81,-3.0 -1,-0.1 -2,-0.6 82,-0.1 0.794 92.2 41.3 -66.3 -25.8 1.4 -6.1 8.3 63 74 A N T 3 S+ 0 0 113 80,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.160 111.2 57.4-109.1 8.7 1.9 -7.1 11.9 64 75 A Q S < S- 0 0 126 -3,-1.0 2,-0.6 79,-0.2 -3,-0.2 -0.973 86.1-105.1-138.3 151.8 4.1 -10.2 11.6 65 76 A N - 0 0 129 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.698 30.3-177.8 -77.4 122.4 7.4 -11.0 10.0 66 77 A N - 0 0 27 -2,-0.6 -1,-0.2 -5,-0.1 -4,-0.0 0.553 38.3-126.8 -94.1 -14.8 6.6 -13.0 6.8 67 78 A G S S+ 0 0 60 -3,-0.1 -8,-0.1 1,-0.0 -2,-0.1 0.538 95.2 78.1 75.4 10.3 10.3 -13.5 6.1 68 79 A T + 0 0 25 -10,-0.3 2,-0.1 40,-0.0 -9,-0.1 0.314 62.5 120.6-126.7 -1.3 9.9 -12.0 2.6 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.435 37.0-169.8 -78.4 144.1 9.7 -8.2 3.1 70 81 A Q E -M 57 0C 41 -13,-1.9 -13,-2.4 -2,-0.1 2,-0.5 -0.995 12.1-155.0-123.2 137.0 12.0 -5.6 1.6 71 82 A Y E +M 56 0C 106 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.941 16.5 176.6-117.7 129.1 11.7 -2.1 3.0 72 83 A V E -M 55 0C 9 -17,-2.5 -17,-2.8 -2,-0.5 -2,-0.0 -0.995 25.9-121.8-138.4 135.5 12.7 0.9 0.9 73 84 A G E -M 54 0C 32 -2,-0.4 27,-2.5 -19,-0.2 2,-0.6 -0.264 26.9-116.9 -69.4 157.4 12.6 4.6 1.3 74 85 A V E +N 99 0C 32 -21,-1.3 25,-0.2 25,-0.2 -21,-0.2 -0.899 30.5 179.3 -96.8 119.1 10.8 6.9 -1.1 75 86 A Q E + 0 0 111 23,-2.8 2,-0.3 -2,-0.6 24,-0.2 0.772 64.5 12.5 -91.2 -35.2 13.3 9.2 -2.8 76 87 A K E -N 98 0C 87 22,-1.4 22,-2.4 2,-0.0 2,-0.5 -0.993 59.2-153.0-146.3 145.1 11.0 11.3 -5.1 77 88 A I E -N 97 0C 68 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.992 8.8-172.1-121.0 119.4 7.3 11.8 -5.4 78 89 A V E -N 96 0C 27 18,-3.1 18,-2.6 -2,-0.5 2,-0.3 -0.915 8.0-171.3-112.1 104.5 5.8 12.7 -8.8 79 90 A V E -N 95 0C 44 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.693 40.7 -89.8 -92.7 147.0 2.1 13.6 -8.6 80 91 A H > - 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