==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUN-97 1AMH . COMPND 2 MOLECULE: ANIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR E.SZABO,Z.S.BOCSKEI,G.NARAY-SZABO,L.GRAF . 446 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 37 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 7 3 5 10 4 2 0 0 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 2 1 1 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 I 0 0 1 0, 0.0 3,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 135.1 13.6 0.6 20.6 2 17 A V B +A 171 0A 12 169,-2.4 169,-1.1 1,-0.2 123,-0.1 -0.806 360.0 14.7-103.8 154.5 14.5 0.6 24.3 3 18 A G S S+ 0 0 49 121,-0.4 -1,-0.2 -2,-0.3 2,-0.1 0.830 101.4 115.3 53.3 36.8 15.0 -2.5 26.4 4 19 A G - 0 0 30 -3,-0.3 2,-0.3 120,-0.1 134,-0.2 -0.370 61.4-110.6-116.8-163.4 15.2 -4.7 23.3 5 20 A Y E -B 137 0B 103 132,-2.3 132,-2.9 -2,-0.1 2,-0.2 -0.985 31.0 -97.0-137.1 149.2 18.0 -6.8 21.7 6 21 A T E -B 136 0B 70 -2,-0.3 130,-0.2 130,-0.2 3,-0.1 -0.433 49.9-120.0 -62.7 127.4 20.2 -6.5 18.6 7 22 A a - 0 0 4 128,-2.9 2,-0.1 -2,-0.2 3,-0.1 -0.347 30.5 -93.8 -70.5 152.4 18.5 -8.7 16.0 8 23 A Q > - 0 0 161 1,-0.2 3,-1.8 2,-0.1 4,-0.3 -0.434 62.6 -77.4 -64.9 137.3 20.3 -11.7 14.5 9 24 A E T 3 S- 0 0 122 1,-0.3 -1,-0.2 -2,-0.1 44,-0.1 -0.153 112.1 -12.5 -45.1 112.5 22.1 -10.7 11.2 10 25 A N T 3 S+ 0 0 25 -3,-0.1 -1,-0.3 2,-0.1 43,-0.1 0.863 88.9 135.1 59.0 46.8 19.4 -10.5 8.6 11 26 A S S < S+ 0 0 62 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.544 72.6 51.3 -93.7 -11.7 16.7 -12.3 10.6 12 27 A V > + 0 0 8 -4,-0.3 3,-1.5 1,-0.1 -1,-0.2 -0.650 65.5 166.4-124.1 69.0 14.2 -9.6 9.5 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.624 70.3 62.4 -62.2 -15.4 14.6 -9.7 5.7 14 29 A Y T 3 S+ 0 0 27 86,-0.2 15,-2.2 88,-0.1 2,-0.4 0.464 79.2 105.9 -91.1 -5.4 11.3 -7.6 5.1 15 30 A Q E < -I 28 0C 6 -3,-1.5 36,-0.5 13,-0.2 37,-0.4 -0.664 48.8-176.5 -79.3 126.4 12.5 -4.6 6.9 16 31 A V E -I 27 0C 1 11,-1.9 11,-1.1 -2,-0.4 2,-0.5 -0.724 20.7-128.7-117.9 169.7 13.5 -1.6 4.8 17 32 A S E -IJ 26 49C 0 32,-2.1 32,-2.2 -2,-0.2 2,-0.7 -0.968 9.7-146.4-125.7 115.5 15.0 1.8 5.6 18 33 A L E -IJ 25 48C 0 7,-2.3 6,-2.2 -2,-0.5 7,-1.1 -0.745 29.1-176.5 -78.5 117.2 13.5 5.1 4.3 19 34 A N E +IJ 23 47C 17 28,-2.8 28,-2.5 -2,-0.7 4,-0.2 -0.949 29.6 166.8-124.3 136.9 16.5 7.4 3.7 20 37 A S S S- 0 0 43 2,-1.7 3,-0.1 -2,-0.4 26,-0.1 -0.386 94.9 -45.4-141.2 55.2 16.6 11.1 2.6 21 38 A G S S+ 0 0 76 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.163 141.4 31.4 104.6 -30.8 20.3 11.8 3.4 22 39 A Y S S- 0 0 79 -4,-0.0 -2,-1.7 0, 0.0 2,-0.1 -0.978 99.5 -90.8-151.6 148.4 19.7 10.1 6.7 23 40 A H E +I 19 0C 10 -2,-0.3 330,-0.5 -4,-0.2 -4,-0.2 -0.430 50.2 158.5 -60.9 133.7 17.6 7.2 8.0 24 41 A F E + 0 0 0 -6,-2.2 2,-0.3 1,-0.4 151,-0.2 0.540 56.4 6.9-133.9 -19.8 14.3 8.7 9.2 25 42 A b E -I 18 0C 0 -7,-1.1 -7,-2.3 326,-0.1 -1,-0.4 -0.971 60.0-127.1-156.6 171.7 11.7 5.8 9.2 26 43 A G E +I 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.687 26.1 167.0-120.3 169.9 11.2 2.1 8.6 27 44 A G E -I 16 0C 0 -11,-1.1 -11,-1.9 -2,-0.2 2,-0.4 -0.915 27.4-103.6-162.7-170.3 8.9 0.1 6.4 28 45 A S E -IK 15 36C 1 8,-2.4 8,-2.6 -2,-0.3 2,-0.4 -0.992 17.5-128.4-139.3 139.4 8.1 -3.3 4.9 29 46 A L E + K 0 35C 0 -15,-2.2 74,-0.7 -2,-0.4 6,-0.2 -0.709 27.7 170.8 -80.9 126.1 8.6 -5.0 1.6 30 47 A I E - 0 0 22 4,-2.5 2,-0.3 1,-0.4 5,-0.2 0.532 69.1 -5.3-111.0 -15.8 5.3 -6.6 0.5 31 48 A N E > S- K 0 34C 43 3,-1.1 3,-1.3 70,-0.1 -1,-0.4 -0.949 91.0 -78.3-165.5 170.8 6.4 -7.5 -3.1 32 49 A D T 3 S+ 0 0 71 -2,-0.3 62,-1.5 1,-0.3 3,-0.1 0.291 128.6 23.3 -67.1 16.9 9.4 -7.0 -5.4 33 50 A Q T 3 S+ 0 0 51 1,-0.2 57,-2.1 60,-0.2 2,-0.4 0.330 109.1 74.1-161.7 8.3 8.3 -3.4 -6.1 34 51 A W E < -KL 31 89C 10 -3,-1.3 -4,-2.5 55,-0.2 -3,-1.1 -0.995 49.0-171.9-137.2 134.4 6.0 -2.1 -3.3 35 52 A V E -KL 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.923 13.2-144.9-122.4 145.7 6.8 -1.0 0.3 36 53 A V E +KL 28 87C 2 -8,-2.6 -8,-2.4 -2,-0.3 2,-0.2 -0.932 31.8 146.7-112.8 137.0 4.4 -0.2 3.1 37 54 A S E - L 0 86C 0 49,-2.6 49,-2.6 -2,-0.4 2,-0.3 -0.853 49.9 -69.0-151.9-177.2 5.1 2.5 5.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 -2,-0.2 47,-0.3 -0.624 35.6-130.9 -84.7 144.2 3.4 5.2 7.9 39 56 A A G > S+ 0 0 2 1,-0.3 3,-1.4 -2,-0.3 -1,-0.1 0.818 105.6 63.4 -65.3 -29.0 1.8 8.2 6.2 40 57 A H G 3 S+ 0 0 46 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.523 91.8 67.0 -72.7 -4.8 3.6 10.6 8.5 41 58 A b G < S+ 0 0 1 -3,-1.6 -1,-0.3 -15,-0.1 2,-0.2 0.114 75.8 134.9 -96.9 13.4 6.9 9.4 7.1 42 59 A Y < + 0 0 105 -3,-1.4 2,-0.3 -5,-0.0 -3,-0.0 -0.529 23.5 163.4 -71.4 134.0 6.0 11.0 3.8 43 60 A K - 0 0 49 -2,-0.2 3,-0.2 1,-0.0 -2,-0.0 -0.950 44.4-120.9-145.8 153.8 8.7 13.0 2.0 44 61 A S S S+ 0 0 92 -2,-0.3 2,-0.5 1,-0.2 26,-0.1 0.779 103.2 36.2 -71.3 -29.7 9.0 14.2 -1.6 45 62 A R S S+ 0 0 208 2,-0.0 2,-0.4 -25,-0.0 -1,-0.2 -0.949 73.9 168.3-132.1 110.5 12.2 12.3 -2.3 46 63 A I - 0 0 9 -2,-0.5 21,-1.9 21,-0.2 2,-0.5 -0.986 19.5-160.7-129.6 132.9 12.8 9.0 -0.7 47 64 A Q E -JM 19 66C 47 -28,-2.5 -28,-2.8 -2,-0.4 2,-0.5 -0.944 16.3-143.3-110.6 128.9 15.4 6.3 -1.2 48 66 A V E -JM 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.5 -0.823 11.3-164.1 -98.2 123.6 14.7 2.8 -0.1 49 67 A R E -JM 17 64C 58 -32,-2.2 -32,-2.1 -2,-0.5 2,-0.3 -0.943 12.8-175.6-110.3 121.4 17.6 0.8 1.4 50 68 A L E + M 0 63C 2 13,-2.9 13,-1.7 -2,-0.5 -34,-0.1 -0.754 54.2 31.3-115.6 163.2 17.0 -3.0 1.7 51 69 A G S S+ 0 0 2 -36,-0.5 2,-0.4 -38,-0.3 -1,-0.2 0.948 82.1 146.1 59.4 52.7 19.0 -5.9 3.1 52 70 A E + 0 0 14 -37,-0.4 -1,-0.2 -3,-0.2 3,-0.2 -0.967 27.0 157.5-128.1 141.9 20.7 -3.9 5.8 53 71 A H S S+ 0 0 13 -2,-0.4 2,-1.1 4,-0.2 82,-0.6 0.654 83.1 41.6-115.9 -62.2 21.8 -4.7 9.3 54 72 A N B > S-O 134 0D 34 3,-0.2 3,-2.1 80,-0.2 80,-0.2 -0.808 72.2-167.3 -94.7 93.4 24.5 -2.1 10.1 55 73 A I T 3 S+ 0 0 15 78,-2.1 -1,-0.1 -2,-1.1 79,-0.1 0.555 83.8 53.1 -58.3 -13.3 22.9 1.0 8.5 56 74 A N T 3 S+ 0 0 90 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.308 105.8 56.8-109.6 7.8 26.2 2.9 8.8 57 75 A V S < S- 0 0 75 -3,-2.1 2,-0.7 76,-0.2 -4,-0.2 -1.000 80.3-120.2-144.0 138.8 28.4 0.3 7.0 58 76 A L + 0 0 144 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.686 31.0 175.1 -78.9 110.7 28.3 -1.3 3.6 59 77 A E - 0 0 57 -2,-0.7 -1,-0.2 -5,-0.1 -7,-0.1 0.778 44.1-116.4 -88.0 -31.2 28.1 -5.0 4.2 60 78 A G S S+ 0 0 70 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.063 97.7 82.9 118.0 -25.8 27.7 -6.2 0.6 61 79 A N S S+ 0 0 39 -10,-0.2 2,-0.2 2,-0.0 38,-0.0 0.091 71.0 114.9 -98.5 26.7 24.2 -7.7 0.6 62 80 A E - 0 0 36 -13,-0.0 2,-0.3 2,-0.0 -11,-0.2 -0.544 45.0-163.2-101.5 162.1 22.4 -4.4 0.2 63 81 A Q E -M 50 0C 41 -13,-1.7 -13,-2.9 -2,-0.2 2,-0.5 -0.998 4.0-160.8-141.0 133.2 20.2 -2.8 -2.5 64 82 A F E +M 49 0C 84 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.968 15.9 171.1-119.9 120.2 19.3 0.9 -2.9 65 83 A V E -M 48 0C 18 -17,-2.7 -17,-2.9 -2,-0.5 -2,-0.0 -0.992 26.1-130.5-133.4 130.7 16.2 1.9 -5.0 66 84 A N E -M 47 0C 96 -2,-0.4 25,-2.1 -19,-0.2 2,-0.5 -0.262 31.0-104.8 -70.7 160.0 14.5 5.3 -5.4 67 85 A A E -N 90 0C 18 -21,-1.9 23,-0.2 23,-0.2 -21,-0.2 -0.767 29.1-175.3 -89.2 128.9 10.8 5.8 -5.0 68 86 A A E S+ 0 0 62 21,-3.2 2,-0.3 -2,-0.5 22,-0.2 0.737 75.1 10.4 -92.0 -28.8 8.9 6.2 -8.2 69 87 A K E -N 89 0C 101 20,-1.4 20,-3.1 2,-0.0 2,-0.5 -0.908 61.1-162.6-156.4 125.5 5.5 6.9 -6.7 70 88 A I E -N 88 0C 35 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.942 11.0-171.5-112.2 120.6 4.5 7.6 -3.1 71 89 A I E -N 87 0C 33 16,-3.0 16,-3.0 -2,-0.5 2,-0.1 -0.932 2.4-165.9-119.7 110.1 0.8 7.1 -2.3 72 90 A K E -N 86 0C 54 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.468 41.1 -87.1 -83.7 162.4 -0.6 8.2 1.1 73 91 A H > - 0 0 20 12,-1.5 3,-2.4 10,-0.3 -1,-0.1 -0.618 35.1-130.0 -73.4 125.7 -4.0 7.1 2.3 74 92 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.757 106.3 47.3 -41.9 -39.2 -6.6 9.6 1.0 75 93 A N T 3 S+ 0 0 107 8,-0.1 2,-0.2 2,-0.1 7,-0.1 0.028 77.0 147.9 -96.8 23.0 -8.1 9.9 4.5 76 94 A F < - 0 0 17 -3,-2.4 2,-0.7 9,-0.1 7,-0.2 -0.430 35.9-152.0 -62.3 129.4 -4.9 10.4 6.4 77 95 A D B >> -P 82 0E 45 5,-2.3 4,-1.6 -2,-0.2 5,-0.7 -0.884 9.8-168.1-109.3 104.9 -5.5 12.6 9.4 78 96 A R T 45S+ 0 0 152 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.661 86.2 53.6 -62.8 -20.7 -2.3 14.5 10.4 79 97 A K T 45S+ 0 0 156 1,-0.1 -1,-0.2 -3,-0.1 346,-0.1 0.893 124.7 19.1 -83.6 -45.7 -3.8 15.6 13.7 80 98 A T T 45S- 0 0 69 -3,-0.1 -2,-0.2 2,-0.1 4,-0.1 0.337 97.0-126.1-107.5 8.0 -5.0 12.3 15.1 81 99 A L T ><5 + 0 0 8 -4,-1.6 3,-0.8 1,-0.2 2,-0.2 0.812 52.4 163.3 48.7 33.8 -2.7 10.1 13.0 82 100 A N B 3 < +P 77 0E 31 -5,-0.7 -5,-2.3 1,-0.2 -1,-0.2 -0.552 63.3 15.4 -78.8 144.7 -5.8 8.2 11.9 83 101 A N T 3 S+ 0 0 20 -2,-0.2 2,-2.4 1,-0.2 -10,-0.3 0.852 82.6 176.9 57.9 35.8 -5.4 6.0 8.8 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.410 31.2 115.1 -75.0 70.8 -1.7 6.5 9.2 85 103 A I + 0 0 0 -2,-2.4 -12,-1.5 -47,-0.3 2,-0.3 -0.991 36.4 179.0-141.8 147.7 -0.6 4.2 6.3 86 104 A M E -LN 37 72C 0 -49,-2.6 -49,-2.6 -2,-0.3 2,-0.3 -0.996 16.4-142.5-150.2 144.2 1.2 4.9 3.0 87 105 A L E -LN 36 71C 0 -16,-3.0 -16,-3.0 -2,-0.3 2,-0.4 -0.838 11.8-159.7-109.5 147.0 2.4 2.8 -0.0 88 106 A I E -LN 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.3 2,-0.5 -0.990 5.2-152.4-131.8 126.9 5.6 3.3 -2.0 89 107 A K E -LN 34 69C 50 -20,-3.1 -21,-3.2 -2,-0.4 -20,-1.4 -0.861 19.1-135.1 -99.9 128.1 6.4 2.0 -5.5 90 108 A L E - 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