==== 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 3MNS . 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) . 10711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 61.7 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 . 80 33.3 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 . 4 1.7 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 . 15 6.2 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 . 4 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 0.000 360.0 360.0 360.0 118.3 -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 -0.801 360.0 11.8 -90.7 133.9 -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 0.783 97.6 140.7 73.6 26.9 -16.1 -8.6 1.9 4 19 A G < - 0 0 23 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.224 46.0-134.2 -91.8-176.3 -12.8 -10.0 1.0 5 20 A T E -B 147 0B 86 142,-2.2 142,-2.5 -2,-0.1 2,-0.1 -0.930 38.8 -90.0-133.0 150.9 -11.0 -13.2 1.5 6 21 A E E -B 146 0B 115 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.469 46.0-127.1 -63.7 136.2 -7.3 -13.6 2.6 7 22 A A - 0 0 4 138,-2.8 2,-0.1 -2,-0.1 138,-0.1 -0.596 21.4-106.4 -78.2 149.4 -5.0 -13.7 -0.5 8 23 A Q > - 0 0 130 -2,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.484 38.6-114.2 -64.8 146.7 -2.5 -16.5 -1.0 9 24 A R T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.692 111.4 40.9 -72.2 -9.8 0.9 -15.0 -0.2 10 25 A N T 3 S+ 0 0 74 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.288 90.1 91.0-114.3 17.2 2.2 -15.3 -3.8 11 26 A S S < S+ 0 0 51 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.875 95.9 26.4 -77.4 -34.0 -0.9 -14.3 -5.7 12 27 A W > + 0 0 25 -4,-0.4 3,-1.8 1,-0.1 -1,-0.2 -0.596 65.4 163.7-131.3 65.9 -0.3 -10.6 -6.0 13 28 A P T 3 S+ 0 0 31 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.606 71.8 62.7 -74.0 -5.0 3.4 -10.0 -5.9 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.6 97,-0.1 98,-0.2 0.552 78.8 109.3 -88.8 -10.0 3.2 -6.4 -7.4 15 30 A Q E < -I 33 0C 7 -3,-1.8 43,-0.5 18,-0.2 44,-0.4 -0.472 49.1-172.7 -67.2 132.4 1.2 -5.2 -4.4 16 31 A I E -IJ 32 57C 1 16,-2.2 16,-0.9 -2,-0.2 2,-0.5 -0.879 21.9-132.5-120.1 158.9 3.0 -2.8 -2.0 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.5 -2,-0.3 2,-0.5 -0.964 16.5-152.9-106.7 123.0 2.2 -1.3 1.4 18 33 A L E -IJ 30 55C 0 12,-3.0 11,-2.9 -2,-0.5 12,-1.7 -0.869 23.4-177.6 -96.9 125.0 2.9 2.5 1.6 19 34 A Q E -IJ 28 54C 11 35,-2.9 35,-2.2 -2,-0.5 2,-0.3 -0.868 16.8-148.5-127.2 154.3 3.7 3.4 5.2 20 35 A Y E -IJ 27 53C 54 7,-2.3 7,-2.6 -2,-0.3 2,-0.4 -0.898 31.2-100.5-124.3 156.3 4.4 6.5 7.1 21 36 A R E +I 26 0C 125 31,-1.9 2,-0.5 -2,-0.3 31,-0.3 -0.611 37.6 180.0 -79.9 125.9 6.6 7.1 10.1 22 36AA S E > -I 25 0C 62 3,-2.8 3,-1.8 -2,-0.4 2,-0.4 -0.897 60.2 -60.8-130.8 91.9 4.4 7.4 13.2 23 36BA G T 3 S- 0 0 65 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.477 117.8 -15.2 68.3-121.0 6.6 8.0 16.2 24 36CA S T 3 S+ 0 0 116 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.436 134.3 52.3 -93.1 -0.2 9.1 5.1 16.7 25 37 A S E < S-I 22 0C 77 -3,-1.8 -3,-2.8 -5,-0.0 2,-0.4 -0.581 78.8-114.0-127.1-175.4 7.1 2.9 14.4 26 38 A W E -I 21 0C 68 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.945 21.6-156.9-125.0 150.1 5.6 2.8 10.9 27 39 A A E -I 20 0C 27 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.1 -0.985 20.8-117.8-131.3 133.7 1.9 2.7 9.9 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.416 39.5 159.0 -60.5 135.3 0.2 1.4 6.7 29 41 A T E - 0 0 21 -11,-2.9 2,-0.3 1,-0.4 157,-0.3 0.649 56.9 -0.9-124.8 -38.4 -1.6 4.2 4.9 30 42 A C E -I 18 0C 6 -12,-1.7 -12,-3.0 157,-0.1 -1,-0.4 -0.931 59.6-116.2-149.1 166.5 -2.1 3.1 1.3 31 43 A G E +I 17 0C 2 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.411 29.7 173.2 -96.7 178.9 -1.5 0.5 -1.3 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.2 -2,-0.2 2,-0.4 -0.961 27.7-114.1-170.6 174.7 0.5 0.7 -4.5 33 45 A T E -IK 15 41C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.994 22.3-129.9-126.6 126.7 1.8 -1.3 -7.4 34 46 A L E + K 0 40C 0 -20,-2.6 78,-3.4 -2,-0.4 6,-0.2 -0.665 34.1 166.6 -72.4 121.8 5.5 -2.0 -8.1 35 47 A I E + 0 0 3 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.615 66.8 12.6-116.8 -19.7 6.0 -1.1 -11.8 36 48 A R E > S- K 0 39C 85 3,-1.8 3,-1.4 74,-0.1 -1,-0.4 -0.924 89.8 -98.1-139.5 168.1 9.8 -1.0 -12.1 37 49 A Q T 3 S+ 0 0 83 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.792 127.5 28.2 -61.3 -20.3 12.4 -2.2 -9.6 38 50 A N T 3 S+ 0 0 50 64,-0.2 61,-2.6 1,-0.1 2,-0.4 0.161 112.1 75.1-126.3 24.5 12.7 1.3 -8.4 39 51 A W E < -KL 36 98C 5 -3,-1.4 -4,-2.6 59,-0.2 -3,-1.8 -0.991 51.2-169.4-138.8 137.9 9.2 2.8 -9.1 40 52 A V E -KL 34 97C 0 57,-2.3 57,-3.0 -2,-0.4 2,-0.5 -0.942 13.6-144.8-119.0 140.1 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 -0.901 35.3 145.8-100.6 131.6 2.5 3.6 -8.8 42 54 A T E - L 0 95C 0 53,-2.5 53,-2.3 -2,-0.5 2,-0.3 -0.727 50.4 -71.5-146.3-174.9 -0.1 4.9 -6.2 43 55 A A > - 0 0 0 -12,-0.4 3,-0.8 51,-0.3 4,-0.4 -0.751 32.6-131.5 -86.1 145.5 -2.8 7.5 -5.9 44 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.867 105.9 60.5 -59.6 -39.6 -2.0 11.2 -5.7 45 57 A H G > S+ 0 0 55 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.800 94.0 65.3 -66.0 -23.4 -4.3 11.6 -2.7 46 58 A C G < S+ 0 0 5 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.730 107.0 41.4 -66.7 -22.4 -2.2 9.1 -0.7 47 59 A V G < S+ 0 0 16 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.141 80.6 104.8-114.6 20.3 0.8 11.4 -0.8 48 60 A D < + 0 0 58 -3,-1.2 2,-0.2 -4,-0.1 -1,-0.1 0.871 67.2 80.7 -66.2 -35.5 -1.0 14.8 -0.2 49 61 A R S S- 0 0 124 -4,-0.3 2,-1.8 -3,-0.2 0, 0.0 -0.476 88.2-122.3 -79.7 146.6 0.3 14.8 3.4 50 62 A E + 0 0 194 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.263 64.0 139.7 -83.2 54.1 3.9 15.9 4.1 51 63 A L - 0 0 60 -2,-1.8 2,-0.7 -4,-0.0 -31,-0.0 -0.367 62.6-104.6 -96.6 165.4 4.9 12.6 5.8 52 64 A T - 0 0 89 -31,-0.3 -31,-1.9 -2,-0.1 2,-0.3 -0.871 48.4-164.2 -87.0 121.7 7.9 10.4 5.8 53 65 A F E +J 20 0C 16 -2,-0.7 21,-1.4 -33,-0.2 2,-0.3 -0.763 17.8 179.3-113.0 147.4 7.1 7.5 3.5 54 65AA R E -JM 19 73C 48 -35,-2.2 -35,-2.9 -2,-0.3 2,-0.4 -0.957 20.4-134.4-134.2 159.1 8.5 4.0 3.0 55 66 A V E -JM 18 72C 0 17,-3.1 17,-2.6 -2,-0.3 2,-0.5 -0.933 10.7-159.2-109.8 138.8 7.5 1.2 0.7 56 67 A V E -JM 17 71C 0 -39,-2.5 -39,-2.1 -2,-0.4 3,-0.3 -0.974 10.6-174.4-117.1 119.9 7.2 -2.4 1.8 57 68 A V E +JM 16 70C 1 13,-2.3 13,-2.1 -2,-0.5 -41,-0.1 -0.768 68.3 32.9-106.4 156.6 7.3 -5.1 -0.9 58 69 A G S S+ 0 0 5 50,-0.5 10,-0.3 -43,-0.5 2,-0.3 0.778 85.3 151.1 70.5 23.7 6.8 -8.8 -0.3 59 70 A E + 0 0 21 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.665 16.6 152.4 -90.0 143.6 4.4 -8.0 2.5 60 71 A H S S+ 0 0 10 1,-0.3 85,-1.7 -2,-0.3 2,-0.6 0.502 71.0 33.4-128.8 -53.8 1.6 -10.3 3.6 61 72 A N B > -O 144 0D 10 3,-0.3 3,-1.1 83,-0.2 -1,-0.3 -0.934 61.2-160.3-112.3 116.5 0.8 -9.7 7.3 62 73 A L T 3 S+ 0 0 38 81,-2.6 -1,-0.1 -2,-0.6 82,-0.1 0.659 93.2 46.5 -67.0 -15.8 1.3 -6.1 8.5 63 74 A N T 3 S+ 0 0 109 80,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.168 110.9 49.0-116.3 13.3 1.5 -7.4 12.1 64 75 A Q S < S- 0 0 124 -3,-1.1 2,-0.5 79,-0.2 -3,-0.3 -0.992 86.1-101.2-148.0 151.9 3.9 -10.4 11.8 65 76 A N - 0 0 133 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.637 31.4-177.2 -73.0 122.0 7.3 -11.1 10.2 66 77 A N - 0 0 26 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.548 36.2-127.6 -95.0 -17.8 6.7 -13.0 6.9 67 78 A G S S+ 0 0 62 1,-0.0 -8,-0.1 2,-0.0 -2,-0.1 0.583 94.7 76.2 79.0 12.6 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 0.359 62.1 120.0-131.0 -3.2 9.8 -12.0 2.6 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.428 37.7-168.3 -77.4 141.9 9.6 -8.2 3.2 70 81 A Q E -M 57 0C 44 -13,-2.1 -13,-2.3 -2,-0.1 2,-0.5 -0.996 12.2-154.0-120.6 134.8 12.0 -5.6 1.7 71 82 A Y E +M 56 0C 113 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.921 17.7 173.9-111.8 129.6 11.7 -2.1 3.1 72 83 A V E -M 55 0C 10 -17,-2.6 -17,-3.1 -2,-0.5 2,-0.1 -0.996 26.6-122.1-139.5 140.5 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 -0.354 27.3-115.9 -73.4 154.8 12.6 4.6 1.4 74 85 A V E +N 99 0C 32 -21,-1.4 25,-0.2 25,-0.2 -21,-0.2 -0.874 30.9 179.5 -92.1 119.9 10.8 6.9 -1.0 75 86 A Q E + 0 0 111 23,-2.5 2,-0.3 -2,-0.6 24,-0.2 0.787 65.0 11.6 -89.9 -37.6 13.3 9.2 -2.7 76 87 A K E -N 98 0C 89 22,-1.5 22,-2.7 2,-0.0 2,-0.5 -0.994 59.2-153.6-147.2 141.4 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 -0.983 8.3-172.2-116.3 123.6 7.3 11.7 -5.5 78 89 A V E -N 96 0C 29 18,-3.1 18,-2.7 -2,-0.5 2,-0.3 -0.919 8.1-170.7-118.5 102.8 5.9 12.7 -8.8 79 90 A V E -N 95 0C 47 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.661 39.8 -90.2 -87.8 146.2 2.2 13.6 -8.7 80 91 A H > - 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