==== 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 3MU5 . 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) . 10652.0 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 . 83 34.6 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 . 18 7.5 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 . 6 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,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.2 -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 -0.788 360.0 12.5 -91.7 136.4 -14.8 -5.2 2.7 3 18 A G T 3 S+ 0 0 39 132,-0.6 -1,-0.2 -2,-0.4 178,-0.1 0.775 97.5 140.8 70.1 27.2 -16.1 -8.6 2.0 4 19 A G < - 0 0 23 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.227 45.3-134.8 -89.3 179.6 -12.7 -10.0 1.0 5 20 A T E -B 147 0B 86 142,-2.3 142,-2.6 -2,-0.1 2,-0.2 -0.924 39.0 -88.2-129.3 155.7 -10.9 -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 -0.505 45.4-128.1 -67.5 131.5 -7.2 -13.6 2.6 7 22 A A - 0 0 3 138,-2.8 2,-0.1 -2,-0.2 138,-0.1 -0.514 22.4-107.2 -75.3 147.6 -5.0 -13.7 -0.4 8 23 A Q > - 0 0 128 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.497 37.7-114.1 -64.1 148.9 -2.4 -16.5 -0.9 9 24 A R T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.686 111.4 40.8 -74.1 -11.8 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 0.312 90.1 90.1-113.2 16.6 2.3 -15.3 -3.7 11 26 A S S < S+ 0 0 50 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.853 96.0 27.7 -76.1 -35.8 -0.8 -14.3 -5.7 12 27 A W > + 0 0 26 -4,-0.4 3,-1.9 1,-0.1 -1,-0.2 -0.578 66.0 164.6-129.8 65.2 -0.3 -10.6 -6.1 13 28 A P T 3 S+ 0 0 31 0, 0.0 97,-1.6 0, 0.0 45,-0.3 0.582 72.2 61.7 -69.3 -8.7 3.5 -10.0 -6.0 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.4 97,-0.1 98,-0.2 0.565 78.7 108.4 -90.3 -6.5 3.3 -6.4 -7.4 15 30 A Q E < -I 33 0C 6 -3,-1.9 43,-0.5 18,-0.2 44,-0.4 -0.472 49.4-174.2 -68.6 134.9 1.2 -5.2 -4.4 16 31 A I E -I 32 0C 0 16,-2.3 16,-1.0 -2,-0.2 2,-0.5 -0.881 23.0-129.5-124.1 161.3 3.1 -2.9 -2.0 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.4 -2,-0.3 2,-0.6 -0.954 17.2-152.5-107.7 124.6 2.3 -1.3 1.3 18 33 A L E -IJ 30 55C 0 12,-2.9 11,-2.9 -2,-0.5 12,-1.7 -0.876 24.1-179.7 -97.5 125.6 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 -0.887 18.3-148.3-128.4 155.0 3.7 3.5 5.0 20 35 A Y E -IJ 27 53C 54 7,-2.5 7,-2.6 -2,-0.3 2,-0.4 -0.893 31.5-100.1-123.2 155.9 4.5 6.6 6.9 21 36 A R E -I 26 0C 127 31,-2.1 2,-0.5 -2,-0.3 31,-0.3 -0.599 38.3-179.5 -79.8 131.0 6.6 7.2 10.0 22 36AA S E > -I 25 0C 57 3,-2.9 3,-2.4 -2,-0.4 2,-0.2 -0.939 58.0 -60.2-136.0 97.2 4.5 7.5 13.1 23 36BA G T 3 S- 0 0 64 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.387 119.4 -16.3 61.1-121.3 6.5 8.1 16.2 24 36CA S T 3 S+ 0 0 132 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.346 134.3 56.3 -94.3 6.6 8.9 5.3 16.7 25 37 A S E < S-I 22 0C 75 -3,-2.4 -3,-2.9 -5,-0.0 2,-0.4 -0.604 77.2-116.0-128.6-177.1 6.9 3.1 14.3 26 38 A W E -I 21 0C 81 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.967 23.7-157.3-123.4 146.7 5.6 2.9 10.7 27 39 A A E -I 20 0C 27 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.2 -0.982 19.8-118.7-129.6 135.2 1.9 2.8 9.8 28 40 A H E +I 19 0C 19 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.455 39.3 159.2 -64.1 135.8 0.2 1.5 6.7 29 41 A T E - 0 0 23 -11,-2.9 2,-0.3 1,-0.4 157,-0.2 0.627 56.6 -2.3-126.9 -33.5 -1.6 4.2 4.8 30 42 A C E -I 18 0C 6 -12,-1.7 -12,-2.9 157,-0.1 -1,-0.4 -0.957 59.4-116.4-153.4 165.2 -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 -0.444 29.6 174.1 -95.0-179.1 -1.5 0.5 -1.4 32 44 A G E -I 16 0C 0 -16,-1.0 -16,-2.3 -2,-0.2 2,-0.4 -0.961 27.4-112.8-170.3 176.4 0.5 0.7 -4.6 33 45 A T E -IK 15 41C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.995 22.3-130.2-126.6 128.7 1.9 -1.3 -7.5 34 46 A L E + K 0 40C 0 -20,-2.4 78,-3.3 -2,-0.4 6,-0.2 -0.657 33.9 166.4 -73.5 119.6 5.5 -2.0 -8.2 35 47 A I E + 0 0 2 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.596 67.0 13.0-114.1 -18.0 6.0 -1.1 -11.9 36 48 A R E > S- K 0 39C 87 3,-1.7 3,-1.4 74,-0.1 -1,-0.3 -0.931 89.8 -98.6-141.3 167.1 9.8 -1.0 -12.1 37 49 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.791 127.5 27.7 -62.5 -19.6 12.4 -2.3 -9.6 38 50 A N T 3 S+ 0 0 50 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.126 112.4 76.1-125.9 23.7 12.7 1.3 -8.4 39 51 A W E < -KL 36 98C 5 -3,-1.4 -4,-2.5 59,-0.2 -3,-1.7 -0.994 51.3-170.4-138.0 136.5 9.2 2.8 -9.2 40 52 A V E -KL 34 97C 0 57,-2.4 57,-2.8 -2,-0.4 2,-0.5 -0.944 13.9-144.9-120.1 138.8 5.8 2.4 -7.5 41 53 A M E +KL 33 96C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.2 -0.905 35.2 147.1-100.2 130.4 2.5 3.6 -8.9 42 54 A T E - L 0 95C 0 53,-2.6 53,-2.4 -2,-0.5 2,-0.3 -0.755 50.5 -71.0-144.3-173.8 -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 -0.723 33.5-132.7 -84.8 144.3 -2.8 7.4 -5.9 44 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.879 106.0 60.9 -59.5 -37.0 -1.9 11.1 -5.7 45 57 A H G > S+ 0 0 56 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.769 93.5 65.0 -69.7 -21.0 -4.2 11.6 -2.7 46 58 A C G < S+ 0 0 4 -3,-0.9 -1,-0.3 1,-0.2 3,-0.2 0.742 107.1 41.5 -67.5 -26.2 -2.1 9.1 -0.8 47 59 A V G < S+ 0 0 15 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.137 81.1 104.7-114.1 24.6 0.9 11.4 -0.9 48 60 A D < + 0 0 58 -3,-1.0 -1,-0.1 -4,-0.1 2,-0.1 0.872 66.4 80.3 -67.2 -38.9 -0.9 14.7 -0.2 49 61 A R S S- 0 0 125 -4,-0.3 2,-2.0 -3,-0.2 0, 0.0 -0.437 89.1-120.8 -78.0 145.7 0.4 14.8 3.3 50 62 A E + 0 0 194 -2,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.309 65.2 137.8 -78.9 57.6 3.9 16.0 4.0 51 63 A L - 0 0 58 -2,-2.0 2,-0.7 -4,-0.1 -31,-0.0 -0.449 63.1-103.7-103.4 170.0 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 -0.879 48.0-164.3 -92.4 119.9 8.0 10.5 5.6 53 65 A F E +J 20 0C 14 -2,-0.7 21,-1.6 -33,-0.2 2,-0.3 -0.793 17.7 179.8-110.3 147.4 7.1 7.5 3.4 54 65AA R E -JM 19 73C 46 -35,-2.4 -35,-2.8 -2,-0.3 2,-0.4 -0.944 19.7-135.7-133.4 159.1 8.5 4.0 2.9 55 66 A V E -JM 18 72C 0 17,-3.0 17,-2.6 -2,-0.3 2,-0.5 -0.941 10.0-157.2-110.5 141.8 7.4 1.2 0.6 56 67 A V E -JM 17 71C 0 -39,-2.4 -39,-2.1 -2,-0.4 3,-0.3 -0.980 10.5-174.1-118.7 121.2 7.2 -2.4 1.7 57 68 A V E + M 0 70C 1 13,-2.4 13,-2.1 -2,-0.5 -41,-0.1 -0.763 69.8 33.1-104.9 157.0 7.4 -5.1 -1.0 58 69 A G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.5 10,-0.3 0.785 85.4 151.1 70.8 24.3 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 -0.712 15.7 150.9 -93.0 139.9 4.5 -7.9 2.5 60 71 A H S S+ 0 0 9 -2,-0.3 85,-1.7 1,-0.3 2,-0.6 0.554 71.7 33.9-126.6 -52.1 1.6 -10.2 3.6 61 72 A N B > -O 144 0D 13 3,-0.3 3,-1.2 83,-0.2 -1,-0.3 -0.942 63.2-159.0-111.1 117.7 0.9 -9.6 7.3 62 73 A L T 3 S+ 0 0 39 81,-2.6 -1,-0.1 -2,-0.6 82,-0.1 0.744 92.9 44.1 -65.6 -22.7 1.4 -6.0 8.4 63 74 A N T 3 S+ 0 0 110 80,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.176 111.1 51.2-110.0 7.8 1.8 -7.1 12.0 64 75 A Q S < S- 0 0 122 -3,-1.2 2,-0.5 79,-0.1 -3,-0.3 -0.994 87.0 -99.3-145.9 151.2 4.1 -10.2 11.7 65 76 A N - 0 0 132 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.608 31.5-177.3 -73.1 119.8 7.4 -11.0 10.1 66 77 A N - 0 0 29 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.598 36.3-128.6 -86.8 -18.9 6.7 -12.8 6.9 67 78 A G S S+ 0 0 61 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.567 94.8 76.2 77.9 9.7 10.4 -13.5 6.1 68 79 A T + 0 0 27 -10,-0.3 2,-0.1 40,-0.0 -9,-0.1 0.377 63.2 119.4-127.5 -4.1 9.8 -12.0 2.6 69 80 A E - 0 0 26 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.394 38.0-167.9 -76.6 146.3 9.7 -8.2 3.1 70 81 A Q E -M 57 0C 43 -13,-2.1 -13,-2.4 -2,-0.1 2,-0.5 -0.997 12.0-155.3-125.0 133.3 12.0 -5.6 1.6 71 82 A Y E +M 56 0C 109 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.922 17.8 173.6-112.5 126.6 11.7 -2.1 3.1 72 83 A V E -M 55 0C 11 -17,-2.6 -17,-3.0 -2,-0.5 2,-0.1 -0.999 26.9-122.8-138.7 138.8 12.7 0.9 0.9 73 84 A G E -M 54 0C 32 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.352 27.7-114.2 -73.5 153.2 12.5 4.6 1.4 74 85 A V E +N 99 0C 32 -21,-1.6 25,-0.2 25,-0.2 -21,-0.2 -0.864 31.4 179.6 -87.4 121.9 10.8 6.9 -1.1 75 86 A Q E + 0 0 111 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.749 65.5 13.1 -92.2 -36.7 13.3 9.2 -2.8 76 87 A K E -N 98 0C 87 22,-1.4 22,-2.7 2,-0.0 2,-0.5 -0.993 59.0-155.3-147.5 139.9 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 8.2-173.1-117.6 120.6 7.3 11.7 -5.5 78 89 A V E -N 96 0C 30 18,-3.2 18,-2.7 -2,-0.5 2,-0.3 -0.918 8.3-170.0-116.2 102.0 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 -0.634 40.3 -89.4 -85.7 148.6 2.2 13.5 -8.7 80 91 A H > - 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