==== 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 11-AUG-10 3ODF . 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) . 10616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 63.3 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 . 81 33.8 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 . 19 7.9 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 . 9 3.8 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 . 5 2 2 6 1 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 0.000 360.0 360.0 360.0 120.3 -11.3 -4.4 1.5 2 17 A V B 3 +A 182 0A 10 180,-2.3 180,-1.9 1,-0.2 134,-0.1 -0.786 360.0 11.4 -90.6 134.7 -14.8 -5.1 2.7 3 18 A G T 3 S+ 0 0 40 132,-0.6 -1,-0.2 -2,-0.4 178,-0.1 0.777 97.3 140.2 71.6 26.6 -16.0 -8.6 2.0 4 19 A G < - 0 0 22 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.236 45.6-133.3 -89.4-179.0 -12.7 -10.0 0.9 5 20 A T E -B 147 0B 85 142,-2.5 142,-2.6 -2,-0.1 2,-0.2 -0.911 39.0 -88.2-127.0 157.4 -10.8 -13.2 1.5 6 21 A E E -B 146 0B 112 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.507 45.7-127.9 -67.7 132.8 -7.2 -13.6 2.5 7 22 A A - 0 0 3 138,-2.8 2,-0.1 -2,-0.2 138,-0.1 -0.532 21.8-107.6 -75.0 148.0 -4.9 -13.7 -0.5 8 23 A Q > - 0 0 129 -2,-0.2 3,-1.7 1,-0.1 4,-0.5 -0.472 37.7-114.4 -64.5 147.6 -2.4 -16.4 -0.9 9 24 A R T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.687 111.8 40.7 -72.3 -11.9 1.0 -14.9 -0.2 10 25 A N T 3 S+ 0 0 69 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.286 90.4 90.5-114.5 14.4 2.3 -15.3 -3.8 11 26 A S S < S+ 0 0 50 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.866 96.9 26.3 -72.5 -37.5 -0.9 -14.3 -5.7 12 27 A W > + 0 0 26 -4,-0.5 3,-2.0 1,-0.1 -1,-0.2 -0.552 65.6 164.1-130.3 64.2 -0.3 -10.5 -6.0 13 28 A P T 3 S+ 0 0 31 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.572 72.3 62.0 -72.2 -7.1 3.5 -10.0 -5.9 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.6 97,-0.1 2,-0.2 0.548 78.8 108.4 -88.8 -9.8 3.2 -6.4 -7.3 15 30 A Q E < -I 33 0C 5 -3,-2.0 43,-0.5 18,-0.2 44,-0.4 -0.499 49.4-174.2 -67.1 135.7 1.2 -5.2 -4.4 16 31 A I E -I 32 0C 0 16,-2.3 16,-0.9 -2,-0.2 2,-0.5 -0.869 23.2-129.5-124.2 158.9 3.1 -2.9 -2.0 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.3 -2,-0.3 2,-0.6 -0.958 17.3-152.2-105.2 122.6 2.3 -1.3 1.3 18 33 A L E -IJ 30 55C 0 12,-2.8 11,-2.9 -2,-0.5 12,-1.8 -0.886 24.3-179.0 -95.0 123.9 2.9 2.5 1.5 19 34 A Q E -IJ 28 54C 10 35,-2.8 35,-2.4 -2,-0.6 2,-0.3 -0.871 17.9-148.9-127.2 153.7 3.7 3.4 5.1 20 35 A Y E -IJ 27 53C 57 7,-2.4 7,-2.6 -2,-0.3 2,-0.3 -0.909 31.2-100.9-123.6 153.9 4.5 6.6 6.9 21 36 A R E -I 26 0C 129 31,-2.1 2,-0.4 -2,-0.3 31,-0.3 -0.569 38.2-179.6 -76.0 130.4 6.6 7.2 9.9 22 36AA S E > -I 25 0C 58 3,-2.7 3,-2.2 -2,-0.3 2,-0.3 -0.922 58.1 -59.6-137.0 99.1 4.5 7.5 13.1 23 36BA G T 3 S- 0 0 67 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 -0.416 120.0 -16.6 60.3-120.7 6.5 8.2 16.2 24 36CA S T 3 S+ 0 0 135 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.246 133.5 55.7 -99.0 14.3 8.9 5.2 16.7 25 37 A S E < S-I 22 0C 73 -3,-2.2 -3,-2.7 -5,-0.0 2,-0.4 -0.646 77.7-113.2-131.3-173.6 6.9 3.1 14.2 26 38 A W E -I 21 0C 84 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.973 24.1-156.7-125.5 141.9 5.6 2.9 10.7 27 39 A A E -I 20 0C 27 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.2 -0.976 19.2-121.5-124.2 131.3 1.9 2.9 9.8 28 40 A H E +I 19 0C 19 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.498 39.3 159.4 -64.2 134.3 0.3 1.5 6.7 29 41 A T E - 0 0 22 -11,-2.9 2,-0.3 1,-0.4 157,-0.2 0.636 56.1 -1.3-124.1 -33.7 -1.7 4.2 4.9 30 42 A C E -I 18 0C 6 -12,-1.8 -12,-2.8 157,-0.1 -1,-0.4 -0.942 59.6-116.7-151.4 166.5 -2.1 3.1 1.2 31 43 A G E +I 17 0C 1 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.463 29.1 175.0 -95.9-177.9 -1.4 0.5 -1.4 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.3 -2,-0.2 2,-0.4 -0.960 27.3-113.4-171.3 174.9 0.5 0.7 -4.5 33 45 A T E -IK 15 41C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.992 22.8-129.2-125.2 127.2 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 -0.650 34.5 166.5 -71.0 120.0 5.5 -2.0 -8.1 35 47 A I E + 0 0 3 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.609 66.8 11.9-115.1 -21.4 6.0 -1.1 -11.8 36 48 A R E > S- K 0 39C 89 3,-1.8 3,-1.4 74,-0.1 -1,-0.4 -0.921 89.3 -98.4-139.4 168.3 9.8 -1.0 -12.0 37 49 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.783 128.2 28.2 -60.6 -22.7 12.4 -2.3 -9.5 38 50 A N T 3 S+ 0 0 49 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.139 112.7 75.5-123.5 22.5 12.7 1.3 -8.3 39 51 A W E < -KL 36 98C 5 -3,-1.4 -4,-2.7 59,-0.2 -3,-1.8 -0.996 50.8-170.6-138.6 135.6 9.2 2.8 -9.1 40 52 A V E -KL 34 97C 0 57,-2.3 57,-2.9 -2,-0.4 2,-0.5 -0.957 14.4-144.7-118.3 139.9 5.8 2.4 -7.5 41 53 A M E +KL 33 96C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.888 35.5 147.5-100.1 129.7 2.5 3.6 -8.8 42 54 A T E - L 0 95C 0 53,-2.7 53,-2.3 -2,-0.5 2,-0.4 -0.745 50.2 -72.2-144.0-174.2 -0.0 4.8 -6.3 43 55 A A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.5 -0.729 33.2-132.2 -86.7 142.7 -2.8 7.4 -5.9 44 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.6 1,-0.2 4,-0.2 0.877 105.5 61.1 -55.5 -40.3 -1.9 11.1 -5.7 45 57 A H G > S+ 0 0 55 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.792 93.5 65.2 -66.2 -21.9 -4.2 11.6 -2.8 46 58 A C G < S+ 0 0 4 -3,-0.9 -1,-0.3 1,-0.2 3,-0.2 0.745 106.3 41.7 -69.0 -22.2 -2.1 9.1 -0.8 47 59 A V G < S+ 0 0 15 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.140 80.9 105.2-114.5 22.5 0.9 11.4 -0.9 48 60 A D < + 0 0 59 -3,-1.1 -1,-0.1 -4,-0.2 2,-0.1 0.883 66.3 81.0 -64.2 -38.8 -0.9 14.7 -0.2 49 61 A R S S- 0 0 125 -4,-0.3 2,-1.8 -3,-0.2 0, 0.0 -0.457 89.5-120.8 -76.5 147.2 0.4 14.8 3.4 50 62 A E + 0 0 199 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.246 65.5 139.1 -79.3 50.6 3.9 16.0 4.1 51 63 A L - 0 0 58 -2,-1.8 2,-0.6 -4,-0.1 -31,-0.0 -0.403 62.6-106.1 -97.8 167.7 5.0 12.7 5.7 52 64 A T - 0 0 70 -31,-0.3 -31,-2.1 -2,-0.1 2,-0.3 -0.878 47.3-163.6 -91.3 120.6 8.0 10.5 5.6 53 65 A F E -J 20 0C 12 -2,-0.6 21,-1.7 -33,-0.2 2,-0.3 -0.790 17.5-179.6-109.9 147.9 7.1 7.5 3.4 54 65AA R E -JM 19 73C 44 -35,-2.4 -35,-2.8 -2,-0.3 2,-0.4 -0.947 19.1-136.4-133.1 159.3 8.5 4.0 2.9 55 66 A V E -JM 18 72C 0 17,-3.0 17,-2.7 -2,-0.3 2,-0.5 -0.933 9.8-157.2-111.4 140.5 7.4 1.2 0.6 56 67 A V E -JM 17 71C 0 -39,-2.3 -39,-2.1 -2,-0.4 3,-0.3 -0.979 10.5-173.8-117.1 119.6 7.2 -2.4 1.7 57 68 A V E + M 0 70C 1 13,-2.4 13,-2.2 -2,-0.5 52,-0.1 -0.762 69.9 32.8-102.7 157.7 7.4 -5.1 -1.0 58 69 A G S S+ 0 0 5 50,-0.6 2,-0.4 -43,-0.5 10,-0.3 0.791 85.9 151.2 69.1 24.5 6.9 -8.8 -0.2 59 70 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.732 15.6 150.9 -91.1 140.6 4.5 -7.9 2.5 60 71 A H S S+ 0 0 9 -2,-0.4 85,-1.8 1,-0.3 2,-0.6 0.580 71.1 34.3-127.5 -52.7 1.7 -10.2 3.6 61 72 A N B > -O 144 0D 12 3,-0.3 3,-1.2 83,-0.2 -1,-0.3 -0.956 62.8-159.2-112.4 116.0 0.9 -9.6 7.3 62 73 A L T 3 S+ 0 0 38 81,-2.5 -1,-0.1 -2,-0.6 82,-0.1 0.732 93.5 44.3 -63.0 -24.2 1.4 -6.0 8.4 63 74 A N T 3 S+ 0 0 111 80,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.206 111.3 50.1-109.3 7.2 1.7 -7.1 12.0 64 75 A Q S < S- 0 0 119 -3,-1.2 2,-0.5 79,-0.1 -3,-0.3 -0.992 87.0 -98.0-148.6 150.3 4.1 -10.2 11.7 65 76 A N - 0 0 136 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.579 31.7-177.2 -71.8 117.2 7.4 -11.1 10.1 66 77 A N - 0 0 28 -2,-0.5 -1,-0.2 -5,-0.2 -4,-0.0 0.617 36.1-128.8 -86.2 -18.3 6.7 -12.8 6.8 67 78 A G S S+ 0 0 62 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.566 94.6 75.1 77.4 10.4 10.3 -13.5 6.1 68 79 A T + 0 0 27 -10,-0.3 2,-0.1 40,-0.0 -9,-0.1 0.365 63.5 119.9-130.7 -5.0 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 -0.391 38.0-167.4 -75.5 147.2 9.7 -8.2 3.1 70 81 A Q E -M 57 0C 43 -13,-2.2 -13,-2.4 -2,-0.1 2,-0.5 -0.998 11.9-154.3-125.3 134.2 12.0 -5.6 1.7 71 82 A Y E +M 56 0C 111 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.915 18.3 174.0-111.2 127.1 11.7 -2.1 3.1 72 83 A V E -M 55 0C 10 -17,-2.7 -17,-3.0 -2,-0.5 2,-0.1 -0.994 26.8-122.3-139.6 138.6 12.7 0.9 1.0 73 84 A G E -M 54 0C 31 -2,-0.4 27,-2.8 -19,-0.2 2,-0.6 -0.370 27.5-115.0 -71.5 152.6 12.5 4.6 1.4 74 85 A V E +N 99 0C 31 -21,-1.7 25,-0.2 25,-0.2 -21,-0.2 -0.844 31.8 179.3 -88.6 121.3 10.7 6.9 -1.0 75 86 A Q E + 0 0 109 23,-2.9 2,-0.3 -2,-0.6 24,-0.2 0.766 64.8 12.6 -93.5 -35.1 13.3 9.1 -2.8 76 87 A K E -N 98 0C 85 22,-1.5 22,-2.7 2,-0.0 2,-0.5 -0.990 59.0-155.0-148.8 140.6 11.1 11.2 -5.1 77 88 A I E -N 97 0C 69 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.983 8.2-173.3-118.8 122.0 7.4 11.7 -5.5 78 89 A V E -N 96 0C 30 18,-3.1 18,-2.6 -2,-0.5 2,-0.3 -0.933 8.7-169.4-118.1 101.9 5.9 12.7 -8.9 79 90 A V E -N 95 0C 45 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.657 39.6 -90.4 -85.5 148.6 2.2 13.5 -8.7 80 91 A H > - 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