==== 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 3MU0 . 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) . 10693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 62.9 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 . 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 . 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,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.4 -11.3 -4.4 1.5 2 17 A V B 3 +A 182 0A 10 180,-2.2 180,-1.8 1,-0.2 134,-0.1 -0.813 360.0 10.2 -89.6 135.9 -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 2,-0.1 0.776 97.7 140.0 68.4 28.3 -16.1 -8.6 2.0 4 19 A G < - 0 0 22 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.260 45.7-133.8 -90.6 179.5 -12.7 -9.9 1.0 5 20 A T E -B 147 0B 86 142,-2.4 142,-2.6 -2,-0.1 2,-0.2 -0.921 38.6 -86.8-128.0 156.4 -10.9 -13.2 1.5 6 21 A E E -B 146 0B 113 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.467 45.8-128.2 -66.0 133.3 -7.3 -13.6 2.6 7 22 A A - 0 0 3 138,-2.7 2,-0.1 -2,-0.2 138,-0.1 -0.539 22.3-107.3 -75.6 147.7 -4.9 -13.7 -0.4 8 23 A Q > - 0 0 129 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.478 37.5-114.5 -64.4 148.3 -2.4 -16.5 -0.9 9 24 A R T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.698 111.7 40.6 -72.3 -14.6 1.0 -15.0 -0.2 10 25 A N T 3 S+ 0 0 69 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.279 90.7 91.3-110.8 15.4 2.3 -15.4 -3.7 11 26 A S S < S+ 0 0 53 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.875 95.5 26.2 -73.3 -38.0 -0.8 -14.4 -5.6 12 27 A W > + 0 0 27 -4,-0.4 3,-1.9 1,-0.1 -1,-0.2 -0.576 65.8 165.2-131.1 66.8 -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 0.590 72.6 61.7 -70.4 -6.6 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 0.564 78.6 108.1 -91.9 -6.7 3.3 -6.5 -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 49.4-173.9 -68.8 135.1 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 -0.870 22.8-130.0-124.8 159.9 3.1 -2.9 -2.0 17 32 A S E -IJ 31 56C 0 39,-2.2 39,-2.4 -2,-0.3 2,-0.6 -0.964 17.1-151.8-107.3 123.2 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,-1.7 -0.884 24.2-178.3 -94.7 124.4 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 17.4-148.8-127.4 153.7 3.7 3.4 5.1 20 35 A Y E -IJ 27 53C 56 7,-2.5 7,-2.6 -2,-0.3 2,-0.4 -0.912 31.1-100.4-122.9 155.5 4.5 6.6 7.0 21 36 A R E -I 26 0C 126 31,-2.1 2,-0.5 -2,-0.3 31,-0.3 -0.586 38.4-179.1 -77.8 129.4 6.6 7.2 10.0 22 36AA S E > -I 25 0C 56 3,-3.1 3,-2.4 -2,-0.4 2,-0.2 -0.942 57.5 -61.2-134.7 99.2 4.5 7.5 13.1 23 36BA G T 3 S- 0 0 65 -2,-0.5 -2,-0.0 1,-0.3 -1,-0.0 -0.370 119.7 -15.8 58.8-119.0 6.5 8.2 16.2 24 36CA S T 3 S+ 0 0 137 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.253 133.8 56.7 -96.8 11.8 8.9 5.3 16.7 25 37 A S E < S-I 22 0C 74 -3,-2.4 -3,-3.1 -5,-0.0 2,-0.4 -0.697 77.5-114.4-133.4-179.4 6.9 3.1 14.3 26 38 A W E -I 21 0C 83 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.965 25.0-158.5-120.1 143.6 5.6 2.9 10.8 27 39 A A E -I 20 0C 28 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.2 -0.980 19.8-119.9-126.7 134.1 1.9 2.8 9.9 28 40 A H E +I 19 0C 19 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.479 39.0 160.1 -64.6 135.4 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 0.664 56.2 -4.0-124.6 -35.6 -1.6 4.2 4.9 30 42 A C E -I 18 0C 7 -12,-1.7 -12,-2.8 157,-0.1 -1,-0.4 -0.934 59.2-116.4-152.0 168.5 -2.2 3.1 1.3 31 43 A G E +I 17 0C 1 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.453 29.2 172.9-100.1-177.3 -1.4 0.5 -1.3 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.3 -2,-0.2 2,-0.4 -0.957 28.3-110.9-173.1 176.8 0.5 0.7 -4.6 33 45 A T E -IK 15 41C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.5 -0.993 22.9-128.9-128.1 128.1 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 -0.678 34.0 167.3 -72.1 119.7 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 67.0 11.9-114.0 -19.9 6.0 -1.1 -11.8 36 48 A R E > S- K 0 39C 88 3,-1.8 3,-1.4 74,-0.1 -1,-0.4 -0.929 89.7 -98.1-140.8 168.5 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 0.775 127.8 28.2 -62.1 -19.5 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 0.145 112.5 75.1-126.4 22.3 12.7 1.4 -8.4 39 51 A W E < -KL 36 98C 5 -3,-1.4 -4,-2.5 59,-0.2 -3,-1.8 -0.994 51.3-170.2-138.5 137.5 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 -0.950 13.9-144.3-120.1 140.2 5.8 2.4 -7.5 41 53 A M E +KL 33 96C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.905 35.2 146.7-102.1 127.2 2.5 3.6 -8.8 42 54 A T E - L 0 95C 0 53,-2.6 53,-2.2 -2,-0.5 2,-0.3 -0.753 50.3 -72.4-141.8-173.7 -0.1 4.9 -6.3 43 55 A A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.5 -0.723 33.3-132.4 -85.1 144.6 -2.9 7.5 -5.9 44 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.6 1,-0.2 4,-0.1 0.874 105.3 61.6 -58.8 -39.5 -2.0 11.1 -5.7 45 57 A H G > S+ 0 0 55 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.786 94.1 64.6 -67.4 -19.2 -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 0.731 106.7 41.9 -71.2 -22.4 -2.2 9.1 -0.8 47 59 A V G < S+ 0 0 14 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.147 81.5 104.6-115.5 24.3 0.9 11.4 -0.9 48 60 A D < + 0 0 59 -3,-1.0 2,-0.2 -4,-0.1 -1,-0.1 0.856 65.9 80.4 -67.6 -39.0 -0.9 14.7 -0.2 49 61 A R S S- 0 0 124 -4,-0.3 2,-1.9 -3,-0.2 0, 0.0 -0.465 89.1-120.2 -78.0 149.2 0.3 14.8 3.3 50 62 A E + 0 0 195 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.325 65.7 138.0 -81.8 56.7 3.9 16.0 4.1 51 63 A L - 0 0 58 -2,-1.9 2,-0.6 -4,-0.1 -31,-0.0 -0.492 62.8-104.8-103.0 169.3 4.9 12.7 5.7 52 64 A T - 0 0 70 -31,-0.3 -31,-2.1 -2,-0.2 2,-0.3 -0.874 47.5-163.5 -93.5 120.6 8.0 10.5 5.6 53 65 A F E +J 20 0C 15 -2,-0.6 21,-1.6 -33,-0.2 2,-0.3 -0.779 17.8 179.7-109.9 148.5 7.1 7.5 3.5 54 65AA R E -JM 19 73C 46 -35,-2.4 -35,-2.8 -2,-0.3 2,-0.4 -0.950 19.5-135.5-133.8 159.9 8.5 4.0 2.9 55 66 A V E -JM 18 72C 0 17,-3.1 17,-2.7 -2,-0.3 2,-0.5 -0.939 9.6-158.1-111.5 141.5 7.4 1.2 0.7 56 67 A V E -JM 17 71C 0 -39,-2.4 -39,-2.2 -2,-0.4 3,-0.3 -0.978 10.0-173.5-119.1 121.1 7.3 -2.4 1.7 57 68 A V E + M 0 70C 1 13,-2.3 13,-2.2 -2,-0.5 -41,-0.1 -0.754 69.9 32.0-105.5 155.7 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 0.787 85.2 150.6 69.1 26.6 6.9 -8.8 -0.3 59 70 A E + 0 0 18 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.709 15.8 152.6 -93.3 141.5 4.5 -7.9 2.6 60 71 A H S S+ 0 0 10 -2,-0.3 85,-1.7 1,-0.3 2,-0.6 0.550 71.3 33.9-127.2 -52.8 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 -0.945 63.4-158.5-112.1 117.1 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 0.737 93.3 43.6 -63.6 -25.2 1.4 -6.0 8.4 63 74 A N T 3 S+ 0 0 109 80,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.116 110.7 53.1-109.3 10.0 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 -0.997 86.7-100.0-147.1 149.2 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 -0.571 32.2-177.5 -69.1 118.7 7.4 -11.1 10.2 66 77 A N - 0 0 30 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.597 36.0-128.4 -88.0 -19.8 6.7 -12.9 6.9 67 78 A G S S+ 0 0 62 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.540 94.9 75.3 81.6 7.5 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 0.363 63.3 120.0-129.9 -4.4 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 -0.407 37.6-167.6 -75.4 146.0 9.7 -8.2 3.1 70 81 A Q E -M 57 0C 42 -13,-2.2 -13,-2.3 -2,-0.1 2,-0.5 -0.997 12.2-154.7-124.5 133.9 12.0 -5.6 1.6 71 82 A Y E +M 56 0C 110 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.927 18.1 173.8-113.6 126.7 11.7 -2.1 3.1 72 83 A V E -M 55 0C 10 -17,-2.7 -17,-3.1 -2,-0.5 2,-0.1 -0.993 26.6-123.2-137.4 138.9 12.7 0.9 1.0 73 84 A G E -M 54 0C 31 -2,-0.4 27,-2.6 -19,-0.2 2,-0.6 -0.385 27.5-115.0 -74.5 155.4 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 -0.869 31.0 179.7 -90.8 121.5 10.8 6.9 -1.1 75 86 A Q E + 0 0 113 23,-2.9 2,-0.3 -2,-0.6 24,-0.2 0.755 65.4 11.9 -93.0 -35.1 13.3 9.2 -2.8 76 87 A K E -N 98 0C 87 22,-1.5 22,-2.7 2,-0.0 2,-0.5 -0.993 59.2-154.5-150.6 139.0 11.1 11.3 -5.1 77 88 A I E -N 97 0C 70 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.982 8.5-173.0-118.0 121.2 7.3 11.7 -5.5 78 89 A V E -N 96 0C 29 18,-3.3 18,-2.5 -2,-0.5 2,-0.3 -0.910 7.7-170.3-116.4 103.2 5.9 12.7 -8.9 79 90 A V E -N 95 0C 46 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.643 40.5 -89.9 -88.7 147.7 2.2 13.5 -8.7 80 91 A H > - 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