==== 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 21-APR-10 3MNB . 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 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10591.0 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,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.7 -11.3 -4.4 1.5 2 17 A V B 3 +A 182 0A 10 180,-2.2 180,-1.9 1,-0.2 134,-0.1 -0.779 360.0 11.8 -88.6 135.4 -14.8 -5.2 2.7 3 18 A G T 3 S+ 0 0 40 132,-0.6 -1,-0.2 -2,-0.4 178,-0.1 0.778 97.6 141.9 70.4 27.3 -16.1 -8.6 2.0 4 19 A G < - 0 0 23 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.228 45.1-134.3 -89.3 178.7 -12.7 -9.9 0.9 5 20 A T E -B 147 0B 87 142,-2.4 142,-2.7 -2,-0.1 2,-0.2 -0.922 39.1 -88.6-125.9 155.4 -10.9 -13.2 1.4 6 21 A E E -B 146 0B 114 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.485 45.4-128.0 -66.5 131.3 -7.3 -13.6 2.5 7 22 A A - 0 0 2 138,-2.8 2,-0.1 -2,-0.2 138,-0.1 -0.549 21.6-108.2 -74.2 145.5 -5.0 -13.6 -0.5 8 23 A Q > - 0 0 129 -2,-0.2 3,-1.7 1,-0.1 4,-0.5 -0.479 37.6-114.7 -61.8 145.7 -2.5 -16.4 -1.0 9 24 A R T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.661 111.3 40.7 -72.3 -9.0 0.9 -14.8 -0.3 10 25 A N T 3 S+ 0 0 67 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.276 90.4 90.0-117.4 14.4 2.2 -15.2 -3.9 11 26 A S S < S+ 0 0 50 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.864 98.0 26.1 -74.4 -35.8 -0.9 -14.3 -5.8 12 27 A W > + 0 0 23 -4,-0.5 3,-1.9 1,-0.1 -1,-0.2 -0.558 66.5 163.6-131.3 64.6 -0.3 -10.5 -6.1 13 28 A P T 3 S+ 0 0 30 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.574 72.4 62.1 -71.5 -7.3 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 2,-0.2 0.547 78.5 107.4 -88.0 -10.4 3.2 -6.4 -7.3 15 30 A Q E < -I 33 0C 5 -3,-1.9 43,-0.4 18,-0.2 44,-0.4 -0.509 50.2-174.3 -68.1 135.3 1.1 -5.2 -4.4 16 31 A I E -I 32 0C 1 16,-2.3 16,-0.9 -2,-0.2 2,-0.5 -0.868 23.8-128.0-123.7 160.9 3.0 -2.9 -2.0 17 32 A S E -IJ 31 56C 0 39,-2.2 39,-2.3 -2,-0.3 2,-0.5 -0.951 17.6-153.4-106.8 122.1 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,-1.8 -0.887 24.1-179.3 -96.5 122.5 2.9 2.5 1.5 19 34 A Q E -IJ 28 54C 10 35,-2.8 35,-2.3 -2,-0.5 2,-0.3 -0.881 18.9-147.0-127.4 153.6 3.6 3.5 5.1 20 35 A Y E -IJ 27 53C 56 7,-2.3 7,-2.6 -2,-0.3 2,-0.3 -0.900 32.5 -99.7-121.5 153.1 4.4 6.6 7.0 21 36 A R E -I 26 0C 123 31,-2.0 2,-0.4 -2,-0.3 31,-0.3 -0.562 39.5-179.3 -75.4 129.3 6.6 7.2 10.0 22 36AA S E > -I 25 0C 58 3,-2.9 3,-2.0 -2,-0.3 2,-0.2 -0.928 57.2 -59.9-134.8 98.1 4.4 7.4 13.1 23 36BA G T 3 S- 0 0 64 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 -0.398 119.6 -16.0 62.9-120.4 6.5 8.0 16.3 24 36CA S T 3 S+ 0 0 116 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.171 135.0 49.3-100.2 16.6 8.9 5.1 16.7 25 37 A S E < S-I 22 0C 72 -3,-2.0 -3,-2.9 -5,-0.0 2,-0.4 -0.702 79.1-108.6-140.3-169.2 7.0 2.9 14.2 26 38 A W E -I 21 0C 69 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.962 22.5-155.0-130.3 145.1 5.5 2.9 10.7 27 39 A A E -I 20 0C 27 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.2 -0.980 20.5-120.0-127.0 131.0 1.8 2.8 9.8 28 40 A H E +I 19 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.473 39.2 160.3 -59.8 133.8 0.2 1.5 6.7 29 41 A T E - 0 0 22 -11,-2.9 2,-0.3 1,-0.4 157,-0.2 0.624 56.4 -2.4-124.7 -31.7 -1.7 4.2 4.8 30 42 A a E -I 18 0C 5 -12,-1.8 -12,-3.0 157,-0.1 -1,-0.4 -0.969 59.8-115.0-154.7 164.7 -2.2 3.1 1.2 31 43 A G E +I 17 0C 1 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.415 29.2 176.9 -91.5-179.4 -1.5 0.5 -1.4 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.3 -2,-0.1 2,-0.4 -0.951 26.7-116.1-169.6 172.5 0.6 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 23.0-129.7-123.5 127.3 1.8 -1.3 -7.4 34 46 A L E + K 0 40C 1 -20,-2.6 78,-3.3 -2,-0.4 6,-0.2 -0.647 34.5 166.5 -71.0 121.8 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 0.608 66.6 13.8-117.3 -20.4 6.0 -1.1 -11.8 36 48 A R E > S- K 0 39C 87 3,-1.8 3,-1.4 74,-0.1 -1,-0.4 -0.916 89.3 -99.8-138.2 166.8 9.9 -1.0 -12.0 37 49 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.797 128.0 28.6 -59.9 -22.5 12.4 -2.3 -9.5 38 50 A N T 3 S+ 0 0 50 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.170 112.7 74.9-123.6 22.2 12.7 1.3 -8.3 39 51 A W E < -KL 36 98C 5 -3,-1.4 -4,-2.6 59,-0.2 -3,-1.8 -0.995 51.4-169.8-138.5 135.9 9.2 2.8 -9.1 40 52 A V E -KL 34 97C 0 57,-2.3 57,-2.8 -2,-0.4 2,-0.5 -0.954 14.6-143.9-118.5 140.1 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 -0.894 36.3 147.8 -99.1 128.5 2.5 3.6 -8.9 42 54 A T E - L 0 95C 0 53,-2.7 53,-2.3 -2,-0.5 2,-0.4 -0.730 49.9 -72.1-143.9-175.1 0.0 4.9 -6.3 43 55 A A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.5 -0.741 32.5-133.2 -85.7 140.8 -2.8 7.4 -5.9 44 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.2 4,-0.1 0.887 105.8 61.0 -53.4 -41.1 -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 0.777 93.1 65.7 -67.6 -21.4 -4.2 11.6 -2.7 46 58 A a G < S+ 0 0 4 -3,-0.9 -1,-0.3 1,-0.2 3,-0.2 0.750 106.4 41.5 -67.7 -22.5 -2.1 9.1 -0.8 47 59 A V G < S+ 0 0 16 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.129 80.3 104.4-115.7 23.4 0.9 11.5 -0.8 48 60 A D < + 0 0 59 -3,-1.1 2,-0.2 -4,-0.1 -1,-0.1 0.885 67.6 80.3 -65.1 -39.6 -0.9 14.8 -0.2 49 61 A R S S- 0 0 123 -4,-0.3 2,-1.6 -3,-0.2 0, 0.0 -0.454 88.9-122.5 -75.9 146.4 0.4 14.8 3.4 50 62 A E + 0 0 192 -2,-0.2 -1,-0.1 2,-0.0 2,-0.1 -0.244 64.1 137.8 -81.2 52.3 3.9 15.9 4.1 51 63 A L - 0 0 60 -2,-1.6 2,-0.7 1,-0.0 -31,-0.0 -0.384 63.6-102.9 -99.3 168.2 5.0 12.7 5.7 52 64 A T - 0 0 90 -31,-0.3 -31,-2.0 -2,-0.1 2,-0.3 -0.852 48.2-163.3 -88.6 119.6 8.0 10.4 5.7 53 65 A F E -J 20 0C 13 -2,-0.7 21,-1.7 -33,-0.2 2,-0.3 -0.808 16.9-179.5-109.0 147.1 7.0 7.5 3.5 54 65AA R E -JM 19 73C 47 -35,-2.3 -35,-2.8 -2,-0.3 2,-0.4 -0.943 19.1-136.4-131.9 158.1 8.4 4.0 2.9 55 66 A V E -JM 18 72C 0 17,-3.1 17,-2.6 -2,-0.3 2,-0.5 -0.938 9.4-158.1-109.7 139.8 7.4 1.2 0.7 56 67 A V E -JM 17 71C 0 -39,-2.3 -39,-2.2 -2,-0.4 3,-0.3 -0.984 10.8-174.3-116.4 119.1 7.2 -2.5 1.8 57 68 A V E + M 0 70C 2 13,-2.3 13,-2.2 -2,-0.5 52,-0.1 -0.751 69.9 33.7-102.1 158.8 7.4 -5.1 -1.0 58 69 A G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.4 10,-0.3 0.803 86.2 150.9 67.7 26.3 6.9 -8.8 -0.2 59 70 A E + 0 0 19 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.728 15.8 150.6 -94.4 140.9 4.5 -7.9 2.5 60 71 A H S S+ 0 0 7 -2,-0.3 85,-1.8 1,-0.3 2,-0.6 0.576 70.0 34.6-127.8 -53.4 1.6 -10.2 3.6 61 72 A N B > -O 144 0D 11 3,-0.3 3,-1.3 83,-0.2 -1,-0.3 -0.955 59.7-160.8-113.6 115.4 0.8 -9.6 7.2 62 73 A L T 3 S+ 0 0 39 81,-2.5 -1,-0.1 -2,-0.6 82,-0.1 0.655 94.1 47.3 -65.8 -17.2 1.3 -6.0 8.5 63 74 A N T 3 S+ 0 0 106 80,-0.2 2,-0.3 1,-0.0 -1,-0.2 0.224 110.5 47.5-113.3 11.2 1.4 -7.4 12.0 64 75 A Q S < S- 0 0 120 -3,-1.3 2,-0.6 79,-0.1 -3,-0.3 -0.993 85.9 -99.6-153.6 150.6 3.9 -10.3 11.7 65 76 A N - 0 0 136 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.608 32.4-176.4 -72.5 116.7 7.3 -11.1 10.2 66 77 A N - 0 0 26 -2,-0.6 -1,-0.2 -5,-0.2 -4,-0.0 0.629 34.8-128.7 -87.9 -15.8 6.6 -12.9 6.9 67 78 A G S S+ 0 0 63 1,-0.0 -8,-0.1 2,-0.0 -2,-0.1 0.536 94.8 74.4 78.0 9.8 10.3 -13.5 6.1 68 79 A T + 0 0 26 -10,-0.3 -9,-0.1 40,-0.0 2,-0.1 0.391 63.3 120.3-131.5 -6.2 9.8 -12.0 2.7 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.370 38.0-167.5 -73.3 146.1 9.6 -8.2 3.2 70 81 A Q E -M 57 0C 44 -13,-2.2 -13,-2.3 -2,-0.1 2,-0.5 -0.999 11.9-153.4-125.0 133.6 11.9 -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 -0.905 18.5 172.9-109.8 129.2 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 -0.997 27.0-122.8-141.1 139.9 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,-0.7 -0.398 28.2-114.3 -72.9 152.7 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 -0.852 32.3 179.5 -88.1 117.8 10.7 6.9 -1.0 75 86 A Q E + 0 0 108 23,-2.5 2,-0.3 -2,-0.7 24,-0.2 0.783 64.8 11.3 -89.3 -36.2 13.3 9.1 -2.7 76 87 A K E -N 98 0C 85 22,-1.5 22,-2.7 2,-0.0 2,-0.5 -0.990 59.3-155.0-148.8 141.1 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 -0.978 7.8-172.8-120.8 124.2 7.4 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 -0.935 9.1-168.7-119.4 103.5 6.0 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 -0.674 39.1 -90.9 -87.3 147.8 2.3 13.5 -8.7 80 91 A H > - 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