==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAY-09 3HGP . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.TAMADA,T.KINOSHITA,R.KUROKI,T.TADA . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 63.8 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 . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.4 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 2 0 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 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 0 0, 0.0 3,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 117.9 11.7 -4.1 -1.3 2 17 A V B 3 +A 182 0A 9 180,-2.3 180,-1.5 1,-0.2 134,-0.2 -0.722 360.0 14.5 -84.7 135.4 15.3 -4.5 -2.5 3 18 A G T 3 S+ 0 0 38 132,-0.7 -1,-0.2 -2,-0.4 178,-0.1 0.815 98.0 154.3 71.8 29.8 16.6 -8.0 -1.9 4 19 A G < - 0 0 24 -3,-0.7 2,-0.3 131,-0.2 144,-0.2 -0.287 36.9-145.8 -84.9 170.1 13.2 -9.4 -1.2 5 20 A T E -B 147 0B 82 142,-2.2 142,-2.4 -2,-0.1 2,-0.4 -0.916 38.9 -89.4-127.4 158.9 11.6 -12.8 -1.6 6 21 A E E -B 146 0B 114 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.542 43.6-132.6 -72.6 125.6 8.0 -13.5 -2.6 7 22 A A - 0 0 2 138,-2.6 138,-0.1 -2,-0.4 2,-0.1 -0.456 21.4-108.8 -69.4 143.0 5.7 -13.6 0.5 8 23 A Q >> - 0 0 142 -2,-0.2 3,-1.5 1,-0.1 4,-0.5 -0.437 35.1-113.8 -62.1 148.6 3.2 -16.4 0.9 9 24 A R T 34 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.680 112.8 41.2 -68.5 -15.4 -0.2 -15.0 0.3 10 25 A N T 34 S+ 0 0 81 1,-0.1 -1,-0.3 2,-0.0 99,-0.0 0.280 91.2 88.0-114.1 12.4 -1.4 -15.5 3.9 11 26 A S T <4 S+ 0 0 47 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.882 100.8 23.5 -72.5 -39.3 1.8 -14.5 5.7 12 27 A W >< + 0 0 23 -4,-0.5 3,-2.0 1,-0.1 -1,-0.2 -0.574 67.4 163.5-130.3 62.0 1.0 -10.8 6.0 13 28 A P T 3 S+ 0 0 27 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.581 71.8 63.3 -68.6 -7.8 -2.8 -10.3 5.8 14 29 A S T 3 S+ 0 0 7 95,-0.2 20,-2.7 97,-0.1 2,-0.2 0.570 77.9 107.1 -87.9 -11.4 -2.7 -6.8 7.2 15 30 A Q E < -I 33 0C 6 -3,-2.0 43,-0.4 18,-0.2 44,-0.4 -0.521 50.1-175.4 -65.5 134.7 -0.7 -5.5 4.3 16 31 A I E -I 32 0C 0 16,-2.4 16,-0.9 -2,-0.2 2,-0.5 -0.853 24.6-125.8-122.7 163.4 -2.7 -3.3 1.9 17 32 A S E -IJ 31 56C 0 39,-2.4 39,-2.5 -2,-0.3 2,-0.6 -0.952 17.8-155.1-106.7 122.5 -2.0 -1.6 -1.4 18 33 A L E -IJ 30 55C 0 12,-3.1 11,-2.9 -2,-0.5 12,-2.0 -0.905 23.0-176.6 -97.3 121.3 -2.7 2.2 -1.5 19 34 A Q E -IJ 28 54C 8 35,-2.8 35,-2.2 -2,-0.6 2,-0.3 -0.840 17.9-147.2-123.6 153.0 -3.4 3.2 -5.1 20 35 A Y E -IJ 27 53C 68 7,-2.5 7,-2.5 -2,-0.3 2,-0.3 -0.887 30.3-101.9-118.2 154.4 -4.1 6.4 -7.0 21 36 A R E -I 26 0C 137 31,-2.2 2,-0.4 -2,-0.3 31,-0.3 -0.584 33.4-177.0 -79.3 135.4 -6.2 7.0 -10.0 22 36AA S E > -I 25 0C 61 3,-3.1 3,-3.0 -2,-0.3 2,-0.3 -0.928 57.8 -69.3-133.2 96.9 -4.3 7.4 -13.2 23 36BA G T 3 S- 0 0 76 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.484 120.5 -8.5 58.0-117.0 -6.6 8.1 -16.2 24 36CA S T 3 S+ 0 0 120 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.120 133.6 57.2 -89.1 -2.0 -8.6 4.8 -16.7 25 37 A S E < S-I 22 0C 62 -3,-3.0 -3,-3.1 2,-0.0 2,-0.4 -0.695 73.0-121.4-134.4-179.2 -6.5 3.0 -14.3 26 38 A W E -I 21 0C 84 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.970 21.5-160.7-128.9 142.7 -5.1 2.7 -10.8 27 39 A A E -I 20 0C 29 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.2 -0.987 22.9-117.1-126.2 132.9 -1.4 2.7 -9.8 28 40 A H E +I 19 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.502 39.9 160.4 -63.1 134.2 0.1 1.4 -6.6 29 41 A T E - 0 0 21 -11,-2.9 2,-0.3 1,-0.4 159,-0.2 0.644 57.4 -0.5-122.3 -34.6 1.9 4.2 -4.7 30 42 A a E -I 18 0C 4 -12,-2.0 -12,-3.1 157,-0.1 -1,-0.4 -0.965 59.8-117.5-151.4 162.5 2.3 3.0 -1.1 31 43 A G E +I 17 0C 0 157,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.404 29.2 179.1 -87.1-179.6 1.7 0.3 1.4 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.4 -2,-0.2 2,-0.5 -0.945 26.0-116.3-167.7 173.5 -0.5 0.4 4.5 33 45 A T E -IK 15 41C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.989 23.0-130.0-122.7 125.9 -1.6 -1.7 7.4 34 46 A L E + K 0 40C 1 -20,-2.7 78,-3.2 -2,-0.5 6,-0.2 -0.639 34.6 166.9 -70.7 120.3 -5.3 -2.6 8.0 35 47 A I E + 0 0 3 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.612 66.7 13.2-115.6 -18.5 -5.9 -1.7 11.6 36 48 A R E > S- K 0 39C 89 3,-1.8 3,-1.5 74,-0.1 -1,-0.4 -0.916 89.8 -99.0-138.7 169.4 -9.8 -1.8 11.8 37 49 A Q T 3 S+ 0 0 88 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.801 128.5 28.2 -62.8 -20.6 -12.2 -3.3 9.2 38 50 A N T 3 S+ 0 0 50 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.109 112.4 76.7-124.5 23.0 -12.6 0.3 8.0 39 51 A W E < -KL 36 98C 5 -3,-1.5 -4,-2.7 59,-0.2 -3,-1.8 -0.997 50.9-169.8-139.2 136.4 -9.3 2.0 9.0 40 52 A V E -KL 34 97C 0 57,-2.4 57,-2.9 -2,-0.4 2,-0.5 -0.966 13.8-145.4-118.7 137.8 -5.8 1.8 7.4 41 53 A M E +KL 33 96C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.882 36.0 147.6 -99.0 128.3 -2.5 3.1 8.9 42 54 A T E - L 0 95C 0 53,-2.7 53,-2.2 -2,-0.5 2,-0.3 -0.751 49.9 -71.2-142.7-173.2 -0.1 4.6 6.3 43 55 A A >> - 0 0 0 -12,-0.4 3,-1.2 51,-0.3 4,-0.6 -0.729 32.9-132.9 -86.5 139.9 2.6 7.3 6.0 44 56 A A H >> S+ 0 0 0 -2,-0.3 4,-1.6 1,-0.2 3,-1.4 0.882 105.7 61.5 -54.5 -40.9 1.6 10.9 5.9 45 57 A H H 34 S+ 0 0 43 1,-0.3 -1,-0.2 2,-0.2 162,-0.0 0.729 96.5 61.1 -66.4 -17.7 3.8 11.5 2.9 46 58 A a H <4 S+ 0 0 2 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.800 116.8 27.4 -70.3 -30.4 1.8 9.0 0.9 47 59 A V H << S+ 0 0 10 -3,-1.4 2,-1.4 -4,-0.6 4,-0.2 0.489 91.8 90.1-118.5 -2.2 -1.5 11.0 1.2 48 60 A D S < S+ 0 0 61 -4,-1.6 2,-0.3 2,-0.1 -1,-0.1 -0.414 79.6 94.7 -89.9 53.7 -0.4 14.7 1.6 49 61 A R S S- 0 0 130 -2,-1.4 2,-1.9 2,-0.1 -3,-0.0 -0.976 91.5 -98.3-145.7 152.7 -0.6 14.9 -2.2 50 62 A E S S+ 0 0 192 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.516 80.3 113.2 -84.1 80.9 -3.0 15.9 -5.0 51 63 A L - 0 0 53 -2,-1.9 2,-0.5 -4,-0.2 -2,-0.1 -0.953 65.0-124.8-144.1 159.4 -4.3 12.3 -5.8 52 64 A T - 0 0 68 -2,-0.3 -31,-2.2 -31,-0.3 2,-0.3 -0.954 39.0-156.0-108.8 128.6 -7.5 10.3 -5.5 53 65 A F E -J 20 0C 17 -2,-0.5 21,-1.0 -33,-0.2 2,-0.3 -0.736 22.3-179.0-113.2 153.5 -6.9 7.1 -3.6 54 65AA R E -JM 19 73C 52 -35,-2.2 -35,-2.8 -2,-0.3 2,-0.4 -0.949 21.0-134.6-136.1 162.2 -8.3 3.6 -3.1 55 66 A V E -JM 18 72C 0 17,-3.0 17,-2.7 -2,-0.3 2,-0.5 -0.940 9.5-159.4-115.0 139.7 -7.2 0.7 -0.9 56 67 A V E -JM 17 71C 0 -39,-2.5 -39,-2.4 -2,-0.4 3,-0.3 -0.980 10.0-175.1-116.6 119.8 -6.9 -2.9 -2.0 57 68 A V E S+ M 0 70C 2 13,-2.3 13,-2.2 -2,-0.5 52,-0.1 -0.737 72.1 34.2-102.1 159.9 -7.0 -5.5 0.8 58 69 A G S S+ 0 0 4 50,-0.6 2,-0.4 -43,-0.4 10,-0.3 0.802 86.4 151.7 65.1 24.7 -6.3 -9.2 -0.1 59 70 A E + 0 0 15 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.776 13.9 150.8 -91.7 130.7 -3.9 -8.0 -2.7 60 71 A H S S+ 0 0 8 -2,-0.4 85,-1.8 1,-0.3 2,-0.5 0.675 70.1 33.3-118.7 -48.8 -1.0 -10.3 -3.7 61 72 A N B > -O 144 0D 13 3,-0.3 3,-1.1 83,-0.2 -1,-0.3 -0.959 61.9-158.7-117.6 116.8 -0.1 -9.5 -7.3 62 73 A L T 3 S+ 0 0 33 81,-2.6 -1,-0.1 -2,-0.5 82,-0.1 0.723 94.0 44.4 -64.3 -22.2 -0.6 -5.9 -8.5 63 74 A N T 3 S+ 0 0 100 80,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.298 110.5 50.6-109.2 6.2 -0.8 -7.1 -12.1 64 75 A Q S < S- 0 0 126 -3,-1.1 2,-0.6 79,-0.2 -3,-0.3 -0.990 86.5-101.0-144.1 151.1 -3.1 -10.2 -11.9 65 76 A N - 0 0 135 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.604 32.1-174.5 -70.3 114.0 -6.5 -11.1 -10.5 66 77 A D - 0 0 27 -2,-0.6 -1,-0.2 -5,-0.2 -7,-0.0 0.751 33.2-130.1 -79.1 -28.6 -5.7 -13.0 -7.3 67 78 A G S S+ 0 0 61 -3,-0.1 -8,-0.1 2,-0.0 -2,-0.1 0.624 94.0 76.5 81.4 15.1 -9.3 -13.8 -6.6 68 79 A T + 0 0 27 -10,-0.3 2,-0.1 -11,-0.1 -9,-0.1 0.308 65.2 118.1-130.6 -3.7 -9.0 -12.5 -3.0 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.393 41.2-164.7 -76.1 150.7 -9.0 -8.7 -3.3 70 81 A Q E -M 57 0C 45 -13,-2.2 -13,-2.3 -2,-0.1 2,-0.5 -0.997 13.1-154.4-125.9 129.1 -11.5 -6.2 -1.9 71 82 A Y E +M 56 0C 113 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.910 20.8 173.2-104.0 124.9 -11.3 -2.8 -3.5 72 83 A V E -M 55 0C 10 -17,-2.7 -17,-3.0 -2,-0.5 2,-0.0 -0.990 28.2-116.6-142.0 143.0 -12.5 0.1 -1.3 73 84 A G E -M 54 0C 33 -2,-0.4 27,-2.6 -19,-0.2 2,-0.6 -0.323 25.6-119.8 -70.4 157.9 -12.6 3.9 -1.5 74 85 A V E +N 99 0C 32 -21,-1.0 25,-0.2 25,-0.2 -21,-0.2 -0.898 32.4 176.7 -96.8 113.9 -10.8 6.2 0.9 75 86 A Q E + 0 0 110 23,-2.6 2,-0.3 -2,-0.6 24,-0.2 0.806 63.4 13.1 -91.5 -37.4 -13.5 8.3 2.6 76 87 A K E -N 98 0C 82 22,-1.5 22,-2.6 2,-0.0 2,-0.4 -0.993 59.3-157.3-144.8 142.2 -11.5 10.4 5.1 77 88 A I E -N 97 0C 65 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.987 6.6-173.0-120.4 124.6 -7.8 11.0 5.5 78 89 A V E -N 96 0C 30 18,-3.0 18,-2.6 -2,-0.4 2,-0.3 -0.934 8.0-168.0-120.8 101.7 -6.4 12.2 8.9 79 90 A V E -N 95 0C 38 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.636 39.2 -92.8 -81.7 145.6 -2.7 13.1 8.7 80 91 A H > - 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