==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEASE) 06-FEB-96 1MAX . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.BERTRAND,J.OLEKSYSZYN,C.KAM,B.BODUSZEK,S.PRESNELL, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 0 0 0 1 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 . 1 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 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 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 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 2 0, 0.0 2,-0.4 0, 0.0 171,-0.2 0.000 360.0 360.0 360.0 129.2 -8.0 8.4 19.0 2 17 A V B +A 171 0A 9 169,-2.2 169,-2.3 1,-0.2 123,-0.1 -0.893 360.0 5.7-108.1 132.4 -10.3 9.3 16.0 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.652 103.9 111.6 68.5 19.0 -11.8 6.5 14.0 4 19 A G - 0 0 32 -3,-0.1 2,-0.2 167,-0.1 134,-0.2 -0.072 61.7-110.9-101.7-150.1 -10.6 3.7 16.4 5 20 A Y E -B 137 0B 102 132,-2.3 132,-3.0 -3,-0.1 2,-0.4 -0.829 35.0 -83.7-140.7 166.7 -12.5 1.4 18.8 6 21 A T E -B 136 0B 84 130,-0.2 130,-0.3 -2,-0.2 129,-0.1 -0.670 38.0-147.1 -73.4 125.9 -12.9 0.9 22.6 7 22 A a - 0 0 19 128,-2.2 -1,-0.1 -2,-0.4 129,-0.1 0.936 34.6-112.6 -62.8 -45.2 -10.0 -1.3 23.7 8 23 A G > - 0 0 29 127,-0.4 3,-2.2 4,-0.0 4,-0.2 0.056 53.3 -51.6 108.8 128.4 -11.7 -3.2 26.5 9 24 A A T 3 S- 0 0 48 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.032 118.4 -18.0 -39.2 112.8 -10.7 -2.8 30.2 10 25 A N T 3 S+ 0 0 18 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.609 86.7 133.9 62.8 28.5 -7.0 -3.1 30.6 11 26 A T S < S+ 0 0 85 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.413 73.3 55.1 -83.2 -1.2 -6.2 -4.9 27.4 12 27 A V S > S+ 0 0 9 -4,-0.2 3,-1.8 87,-0.1 -1,-0.3 -0.783 73.0 177.6-126.1 77.8 -3.2 -2.6 26.8 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.2 0, 0.0 38,-0.2 0.674 76.3 55.8 -65.3 -18.6 -1.5 -3.3 30.3 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-2.4 88,-0.1 2,-0.2 0.551 78.6 114.3 -87.0 -16.8 1.4 -1.0 29.4 15 30 A Q E < -J 28 0C 8 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.472 49.5-163.5 -63.0 131.1 -0.8 2.2 28.6 16 31 A V E -J 27 0C 1 11,-2.5 11,-1.6 -2,-0.2 2,-0.5 -0.902 12.8-147.7-118.4 142.9 -0.1 5.0 31.1 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.4 -2,-0.3 2,-0.7 -0.950 11.7-148.9-108.5 130.0 -2.2 8.1 32.0 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.4 -2,-0.5 7,-1.1 -0.895 22.3-175.4-100.5 116.2 -0.3 11.1 33.0 19 34 A N E +JK 23 47C 21 28,-2.5 28,-2.5 -2,-0.7 4,-0.2 -0.937 30.2 168.8-121.8 133.5 -2.3 13.2 35.4 20 35 A S S S- 0 0 29 2,-2.1 26,-0.1 -2,-0.4 3,-0.1 -0.515 97.5 -47.5-124.7 53.6 -1.7 16.5 37.0 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 24,-0.0 -2,-0.1 0.149 141.7 31.2 99.2 -18.2 -5.2 16.9 38.4 22 39 A Y S S- 0 0 130 -4,-0.1 -2,-2.1 0, 0.0 2,-0.4 -0.954 102.2 -88.4-163.4 152.1 -6.6 15.9 34.9 23 40 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.618 49.3 161.0 -69.9 124.7 -5.2 13.6 32.2 24 41 A F E + 0 0 31 -6,-2.4 2,-0.3 -2,-0.4 151,-0.2 0.543 61.0 5.6-118.4 -17.4 -2.9 15.6 29.9 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.3 151,-0.1 -1,-0.4 -0.976 61.2-125.9-161.4 163.3 -0.9 12.9 28.2 26 43 A G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.461 27.4 177.6-102.7 176.8 -0.5 9.2 27.8 27 44 A G E -J 16 0C 0 -11,-1.6 -11,-2.5 -2,-0.2 2,-0.4 -0.932 25.2-112.5-165.1-178.6 2.6 7.1 28.3 28 45 A S E -JL 15 36C 1 8,-2.1 8,-2.6 -2,-0.3 2,-0.4 -0.991 20.2-134.2-136.2 121.7 4.1 3.6 28.2 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.3 -0.643 25.3 174.6 -73.3 127.7 5.4 1.6 31.2 30 47 A I E - 0 0 23 4,-2.6 2,-0.3 -2,-0.4 75,-0.2 0.516 63.5 -10.6-114.7 -7.6 8.7 0.1 30.3 31 48 A N E > S- L 0 34C 51 3,-1.2 3,-1.1 70,-0.1 -1,-0.3 -0.947 90.6 -69.9-170.4 178.7 9.8 -1.5 33.6 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-2.3 1,-0.3 60,-0.0 0.655 129.6 22.1 -52.7 -25.9 8.8 -1.6 37.3 33 50 A Q T 3 S+ 0 0 59 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.377 111.3 72.7-126.6 5.8 9.9 2.0 37.9 34 51 A W E < -LM 31 89C 5 -3,-1.1 -4,-2.6 55,-0.2 -3,-1.2 -0.959 42.9-175.5-136.9 147.2 10.0 3.8 34.5 35 52 A V E -LM 29 88C 0 53,-2.2 53,-3.0 -2,-0.4 2,-0.3 -0.980 14.6-149.4-131.1 137.1 7.7 5.2 31.9 36 53 A V E +LM 28 87C 1 -8,-2.6 -8,-2.1 -2,-0.4 2,-0.3 -0.808 30.2 149.3-103.1 150.0 8.6 6.7 28.5 37 54 A S E - M 0 86C 0 49,-2.2 49,-2.2 -2,-0.3 2,-0.3 -0.864 51.6 -62.0-154.2-166.6 6.4 9.5 27.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.723 34.0-135.4 -90.9 139.1 6.9 12.5 24.7 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.799 104.5 68.0 -64.8 -26.5 9.1 15.3 25.9 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.590 93.0 61.7 -64.2 -11.8 6.4 17.8 24.8 41 58 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.346 78.4 126.0 -93.5 6.8 4.3 16.4 27.6 42 59 A Y < + 0 0 135 -3,-1.9 2,-0.2 -5,-0.0 -3,-0.0 -0.499 19.1 129.3 -72.0 146.1 6.8 17.5 30.4 43 60 A K - 0 0 56 -2,-0.1 3,-0.2 0, 0.0 2,-0.2 -0.836 57.2 -93.4-169.0 172.4 5.6 19.7 33.2 44 62 A S S S+ 0 0 97 -2,-0.2 25,-0.0 1,-0.2 0, 0.0 -0.550 95.7 46.3 -90.7 168.0 6.0 19.1 37.0 45 63 A G + 0 0 65 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.899 69.7 166.4 73.8 45.0 3.6 17.3 39.3 46 64 A I - 0 0 8 -3,-0.2 21,-2.1 -26,-0.1 2,-0.5 -0.759 20.5-165.5 -96.0 136.4 2.9 14.3 37.2 47 65 A Q E -KN 19 66C 51 -28,-2.5 -28,-2.5 -2,-0.4 2,-0.3 -0.997 18.0-137.9-119.0 124.6 1.1 11.3 38.8 48 66 A V E -KN 18 65C 0 17,-2.3 17,-2.1 -2,-0.5 2,-0.5 -0.600 13.3-157.8 -83.2 138.2 1.4 8.2 36.7 49 67 A R E +KN 17 64C 52 -32,-2.4 -32,-2.3 -2,-0.3 2,-0.3 -0.981 14.2 178.1-124.5 110.1 -1.8 6.2 36.6 50 68 A L E + N 0 63C 2 13,-2.5 13,-2.1 -2,-0.5 -34,-0.1 -0.823 61.7 39.1-105.1 151.9 -1.4 2.5 35.7 51 69 A G S S+ 0 0 6 -36,-0.5 2,-0.4 -2,-0.3 10,-0.3 0.786 83.3 156.1 78.2 26.6 -4.3 0.0 35.5 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.2 -1,-0.2 -0.727 22.5 145.6 -97.4 136.8 -6.7 2.5 33.9 53 71 A D S S+ 0 0 14 -2,-0.4 2,-0.6 1,-0.4 -1,-0.1 0.254 82.2 26.4-116.2 -87.4 -9.6 1.9 31.7 54 72 A N S > S- 0 0 25 1,-0.2 3,-0.7 80,-0.2 -1,-0.4 -0.551 71.5-160.9 -74.5 116.6 -12.2 4.7 32.6 55 73 A I T 3 S+ 0 0 29 78,-2.5 -1,-0.2 -2,-0.6 79,-0.1 0.641 86.2 55.8 -75.7 -11.5 -10.1 7.6 33.8 56 74 A N T 3 S+ 0 0 131 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.552 106.5 56.2 -94.8 -5.7 -13.0 9.3 35.5 57 75 A V S < S- 0 0 77 -3,-0.7 2,-0.7 76,-0.2 -4,-0.3 -0.972 77.2-129.6-129.6 139.6 -13.9 6.3 37.6 58 76 A V + 0 0 110 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.1 -0.805 32.8 172.3 -79.9 114.7 -11.9 4.1 40.1 59 77 A E - 0 0 94 -2,-0.7 -1,-0.1 -5,-0.2 -4,-0.0 0.355 52.1 -97.8-110.3 0.9 -12.7 0.7 38.8 60 78 A G S S+ 0 0 60 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.164 103.4 77.8 113.8 -22.9 -10.3 -1.4 41.0 61 79 A N + 0 0 58 -10,-0.3 2,-0.2 38,-0.0 -9,-0.1 0.293 65.1 119.3-111.2 19.3 -7.2 -2.1 39.0 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.474 40.0-169.5 -88.9 152.3 -5.3 1.2 39.3 63 81 A Q E -N 50 0C 42 -13,-2.1 -13,-2.5 -2,-0.2 2,-0.6 -0.986 10.4-165.8-132.1 118.9 -1.9 2.1 40.8 64 82 A F E +N 49 0C 72 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.977 16.1 172.1-112.7 117.1 -1.4 5.9 41.1 65 83 A I E -N 48 0C 11 -17,-2.1 -17,-2.3 -2,-0.6 3,-0.1 -0.996 28.4-124.2-131.5 126.3 2.3 6.5 41.8 66 84 A S E -N 47 0C 45 -2,-0.4 25,-3.2 -19,-0.2 2,-0.4 -0.268 30.4-103.5 -71.0 157.1 3.9 10.0 41.8 67 85 A A E -O 90 0C 28 -21,-2.1 23,-0.3 23,-0.2 -22,-0.1 -0.653 25.7-170.8 -78.3 126.5 6.8 10.8 39.5 68 86 A S E S- 0 0 62 21,-2.3 2,-0.3 -2,-0.4 22,-0.2 0.832 72.5 -9.9 -82.0 -33.8 10.0 10.9 41.5 69 87 A K E -O 89 0C 76 20,-1.5 20,-2.0 -3,-0.1 2,-0.4 -0.998 51.8-151.5-159.0 161.3 11.7 12.4 38.3 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.994 5.7-164.7-139.2 141.7 11.6 13.2 34.6 71 89 A I E -O 87 0C 39 16,-2.0 16,-2.4 -2,-0.4 2,-0.2 -0.976 11.3-156.1-127.4 111.5 14.4 13.4 32.1 72 90 A V E -O 86 0C 50 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.652 41.9 -85.8 -84.6 145.7 13.6 15.2 28.9 73 91 A H > - 0 0 20 12,-2.0 3,-2.5 10,-0.3 -1,-0.1 -0.363 34.2-130.0 -51.5 130.6 15.8 14.1 26.0 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.725 107.3 45.0 -54.7 -32.3 19.0 16.3 26.0 75 93 A S T 3 S+ 0 0 69 8,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.009 79.9 141.9-102.3 23.1 18.5 17.1 22.3 76 94 A Y < - 0 0 58 -3,-2.5 2,-0.6 9,-0.1 7,-0.2 -0.549 32.7-165.5 -63.6 128.2 14.8 17.9 22.5 77 95 A N B >> -P 82 0D 68 5,-2.5 4,-2.5 -2,-0.3 5,-0.8 -0.885 4.9-168.0-111.4 103.1 13.8 20.7 20.2 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.814 86.4 55.4 -60.8 -25.6 10.3 21.9 21.2 79 97 A N T 45S+ 0 0 144 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.975 123.1 22.9 -71.5 -52.9 10.0 24.1 18.1 80 98 A T T 45S- 0 0 75 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.580 97.1-132.9 -90.0 -13.1 10.7 21.2 15.6 81 99 A L T ><5 + 0 0 28 -4,-2.5 3,-0.9 1,-0.3 2,-0.3 0.688 49.8 156.8 64.5 26.8 9.6 18.4 17.9 82 100 A N B 3 < +P 77 0D 38 -5,-0.8 -5,-2.5 1,-0.3 -1,-0.3 -0.679 65.4 17.2 -83.9 133.5 12.8 16.6 17.0 83 101 A N T 3 S+ 0 0 19 -2,-0.3 2,-2.0 -7,-0.2 -10,-0.3 0.773 78.2 179.1 73.0 39.7 13.7 14.1 19.7 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.366 35.2 112.5 -77.0 80.0 10.3 14.1 21.4 85 103 A I + 0 0 0 -2,-2.0 -12,-2.0 -47,-0.3 2,-0.3 -0.997 36.0 176.7-148.7 140.3 10.9 11.6 24.2 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.2 -2,-0.3 2,-0.4 -0.978 20.6-135.3-147.5 146.6 11.1 11.8 28.0 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.0 -2,-0.3 2,-0.5 -0.866 12.6-160.1-107.0 139.4 11.6 9.3 30.8 88 106 A I E -MO 35 70C 0 -53,-3.0 -53,-2.2 -2,-0.4 2,-0.4 -0.959 2.4-159.0-123.0 113.2 9.6 9.2 34.0 89 107 A K E -MO 34 69C 32 -20,-2.0 -21,-2.3 -2,-0.5 -20,-1.5 -0.754 22.9-125.7 -93.2 135.3 10.8 7.4 37.1 90 108 A L E - 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