==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JAN-01 1GHZ . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,K.ELROD,C.LUONG,M.RICE,R.L.MACKMAN,P.A.SPRENGELER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 58.7 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 . 70 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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 . 3 1 3 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 130.5 51.7 14.4 49.2 2 17 A V B +A 171 0A 6 169,-2.9 169,-2.0 1,-0.2 123,-0.1 -0.923 360.0 6.1-111.3 131.4 54.0 14.2 52.2 3 18 A G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.713 102.5 118.2 71.5 27.5 55.7 11.0 53.2 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.212 57.3-117.1-106.0-164.3 54.5 9.1 50.1 5 20 A Y E -B 137 0B 95 132,-2.5 132,-3.1 -2,-0.1 2,-0.4 -0.910 33.7 -83.7-136.7 165.5 56.3 7.5 47.3 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.557 37.2-149.8 -70.8 121.3 56.7 7.9 43.5 7 22 A a - 0 0 19 128,-2.1 -1,-0.2 -2,-0.4 2,-0.1 0.928 35.7-115.4 -56.5 -51.9 53.7 6.0 42.1 8 23 A G > - 0 0 26 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 -0.128 48.4 -51.4 119.0 147.2 55.4 5.0 38.9 9 24 A A T 3 S- 0 0 59 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.263 118.4 -15.1 -54.6 126.1 54.4 6.2 35.4 10 25 A N T 3 S+ 0 0 33 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.722 90.4 127.6 48.9 37.2 50.7 5.7 34.6 11 26 A T S < S+ 0 0 80 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.578 76.6 49.8 -91.6 -8.9 50.0 3.3 37.6 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 1,-0.1 -1,-0.3 -0.717 75.5 173.7-123.5 74.1 47.1 5.5 38.7 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.673 70.4 57.1 -67.6 -16.8 45.5 5.8 35.2 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.443 81.3 110.9 -91.5 -2.4 42.3 7.7 36.4 15 30 A Q E < -J 28 0C 6 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.587 47.5-172.5 -77.4 134.2 44.4 10.6 37.8 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.882 18.9-142.0-126.0 158.5 44.1 13.9 36.0 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.7 -2,-0.3 2,-0.5 -0.965 15.2-145.3-116.9 131.8 45.9 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.1 -2,-0.4 7,-1.0 -0.873 23.4-168.6 -99.8 131.0 43.8 20.4 35.9 19 34 A N E +JK 23 47C 23 28,-2.8 28,-2.1 -2,-0.5 4,-0.2 -0.981 31.2 173.5-128.3 134.2 45.9 23.1 34.2 20 37 A S S S- 0 0 31 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.353 97.1 -47.0-130.2 46.4 45.3 26.8 33.7 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.289 141.2 29.7 103.8 -5.0 48.8 27.4 32.3 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.911 103.3 -82.6-169.3 161.1 50.2 25.4 35.2 23 40 A H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.606 51.2 157.8 -76.8 130.9 49.0 22.5 37.3 24 41 A F E + 0 0 33 -6,-2.1 2,-0.3 1,-0.4 151,-0.2 0.527 59.8 7.6-130.3 -15.4 46.7 23.8 40.2 25 42 A b E -J 18 0C 6 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.983 61.5-124.1-162.0 163.4 44.5 20.7 41.2 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.446 27.2 176.9-102.7 176.4 44.0 17.0 40.6 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.935 24.3-116.7-168.4 173.2 40.8 15.2 39.5 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.4 -2,-0.3 2,-0.5 -0.990 18.7-129.6-129.3 137.5 39.6 11.7 38.7 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.3 -2,-0.4 6,-0.2 -0.737 26.1 175.1 -84.1 123.6 38.3 10.4 35.3 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.604 69.6 -15.2-105.3 -14.7 34.9 8.7 35.9 31 48 A N E > S- L 0 34C 49 3,-1.1 3,-1.1 70,-0.1 -1,-0.4 -0.922 89.0 -76.0-171.1 169.8 34.1 8.0 32.2 32 49 A S T 3 S+ 0 0 42 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.681 127.9 33.8 -53.2 -24.4 35.4 9.2 28.8 33 50 A Q T 3 S+ 0 0 79 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.475 110.4 64.6-111.1 -4.9 33.6 12.6 29.0 34 51 A W E < -LM 31 89C 4 -3,-1.1 -4,-2.3 55,-0.2 -3,-1.1 -0.961 46.6-174.2-133.2 147.4 33.6 13.5 32.7 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.6 -2,-0.4 2,-0.4 -0.949 14.1-148.9-128.2 145.3 36.0 14.3 35.6 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.2 -0.943 30.6 148.8-116.7 138.8 35.2 14.8 39.2 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.730 50.1 -66.7-146.9-166.0 37.3 17.3 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.718 32.9-131.2 -96.8 145.0 36.8 19.6 44.3 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.840 107.3 64.4 -63.6 -32.0 34.6 22.7 44.1 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.579 93.7 62.9 -71.8 -3.3 37.3 24.8 45.6 41 58 A b G < S+ 0 0 3 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.324 76.6 134.9 -96.0 3.5 39.4 24.0 42.4 42 59 A Y < + 0 0 123 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.336 21.8 148.4 -60.0 133.6 36.8 25.8 40.3 43 60 A K - 0 0 57 -2,-0.0 2,-0.3 3,-0.0 3,-0.2 -0.936 47.3-113.5-155.5 164.5 38.4 28.2 37.7 44 61 A S S S+ 0 0 91 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.780 95.9 37.8-102.5 149.2 37.4 29.4 34.3 45 62 A G S S+ 0 0 69 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.965 74.9 169.3 74.9 55.3 39.8 28.2 31.5 46 63 A I - 0 0 12 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.839 21.0-166.3-104.7 138.3 40.7 24.6 32.5 47 64 A Q E -KN 19 66C 49 -28,-2.1 -28,-2.8 -2,-0.4 2,-0.4 -0.976 18.6-140.9-119.4 131.8 42.5 22.1 30.3 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.8 -2,-0.5 2,-0.6 -0.819 11.9-157.6 -96.6 132.3 42.3 18.5 31.7 49 66 A R E -KN 17 64C 51 -32,-2.7 -32,-2.2 -2,-0.4 3,-0.3 -0.971 12.7-176.2-120.8 116.0 45.6 16.6 31.2 50 67 A L E + N 0 63C 4 13,-2.9 13,-1.9 -2,-0.6 -34,-0.1 -0.666 60.2 33.1-104.9 157.2 45.2 12.8 31.2 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.724 82.9 153.1 66.3 26.9 48.0 10.1 31.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.565 23.4 151.2 -90.0 150.7 50.5 12.2 32.9 53 71 A D S S+ 0 0 17 1,-0.5 2,-0.6 4,-0.3 -1,-0.2 0.229 82.4 30.6-135.2 -83.2 53.4 11.1 35.1 54 72 A N S > S- 0 0 27 80,-0.2 3,-0.9 1,-0.2 -1,-0.5 -0.695 72.9-160.7 -78.9 118.8 55.9 14.0 34.8 55 73 A I T 3 S+ 0 0 29 78,-2.7 -1,-0.2 -2,-0.6 79,-0.1 0.555 87.1 53.2 -79.8 -3.4 53.8 17.2 34.3 56 74 A N T 3 S+ 0 0 118 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.355 105.6 57.7-107.4 1.7 56.7 19.2 33.0 57 75 A V S < S- 0 0 69 -3,-0.9 2,-0.9 76,-0.2 -4,-0.3 -0.998 76.2-133.6-133.6 132.6 57.7 16.7 30.3 58 76 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.753 30.5 174.5 -84.9 108.8 55.6 15.4 27.4 59 77 A E - 0 0 101 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.523 53.1 -96.6 -95.4 -6.6 56.5 11.6 27.7 60 78 A G S S+ 0 0 58 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.160 105.7 78.6 115.1 -19.3 54.1 10.3 25.0 61 79 A N + 0 0 49 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.324 65.3 114.9-107.8 13.1 50.9 9.2 26.9 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.451 42.0-167.3 -85.3 155.7 49.2 12.4 27.6 63 81 A Q E -N 50 0C 38 -13,-1.9 -13,-2.9 -2,-0.1 2,-0.6 -0.986 8.5-162.6-136.2 126.0 45.9 13.7 26.3 64 82 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.971 18.2 171.2-114.4 113.7 45.2 17.4 26.9 65 83 A I E -N 48 0C 20 -17,-2.8 -17,-3.3 -2,-0.6 2,-0.1 -0.989 28.3-127.0-129.1 135.6 41.5 18.2 26.5 66 84 A S E -N 47 0C 55 -2,-0.4 25,-3.1 -19,-0.3 26,-0.3 -0.464 27.4-113.5 -78.5 154.4 39.7 21.5 27.3 67 85 A A E -O 90 0C 22 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.619 19.5-165.3 -84.7 143.8 36.7 21.5 29.5 68 86 A S E S- 0 0 67 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.699 74.5 -0.4 -99.7 -29.5 33.3 22.4 27.8 69 87 A K E -O 89 0C 85 20,-1.1 20,-2.8 2,-0.0 -1,-0.4 -0.979 57.1-154.2-158.8 153.4 31.5 23.0 31.2 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.963 8.5-165.0-129.2 143.2 32.1 22.9 34.9 71 89 A I E -O 87 0C 35 16,-2.6 16,-2.3 -2,-0.4 2,-0.3 -0.958 5.2-158.9-134.1 112.2 29.3 22.3 37.5 72 90 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.646 42.2 -87.8 -87.6 148.3 30.0 23.0 41.1 73 91 A H > - 0 0 21 12,-2.0 3,-2.0 -2,-0.3 -1,-0.1 -0.305 35.5-123.0 -56.2 135.0 27.7 21.3 43.6 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.742 109.4 41.6 -52.3 -28.1 24.5 23.3 44.2 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.127 77.7 141.0-109.5 21.7 25.2 23.4 48.0 76 94 A Y < - 0 0 55 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.418 34.5-161.3 -64.7 136.8 28.9 24.0 48.0 77 95 A N B >> -P 82 0D 65 5,-2.0 4,-2.2 1,-0.1 5,-0.6 -0.959 7.8-163.2-120.9 107.9 29.8 26.4 50.8 78 96 A S T 45S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.690 87.5 59.8 -67.3 -17.0 33.3 28.0 50.3 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.941 123.7 16.5 -78.7 -43.2 33.4 29.1 53.9 80 98 A T T 45S- 0 0 72 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.537 95.9-129.0-101.9 -13.5 33.2 25.6 55.5 81 99 A L T ><5 + 0 0 32 -4,-2.2 3,-0.7 1,-0.3 2,-0.2 0.675 50.1 159.8 69.0 25.6 34.0 23.6 52.4 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-2.0 1,-0.2 -1,-0.3 -0.573 66.3 17.7 -75.8 139.1 30.9 21.4 52.9 83 101 A N T 3 S+ 0 0 16 -2,-0.2 2,-1.9 -7,-0.2 -10,-0.3 0.920 80.6 177.3 63.7 49.4 29.9 19.7 49.6 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.526 33.9 109.9 -84.2 76.2 33.3 20.3 48.1 85 103 A I + 0 0 0 -2,-1.9 -12,-2.0 -47,-0.3 2,-0.3 -0.991 37.4 177.6-149.4 147.2 32.8 18.5 44.8 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.979 19.7-136.9-149.2 153.8 32.5 19.6 41.1 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-2.6 -2,-0.3 2,-0.4 -0.905 13.5-162.8-115.2 140.5 32.1 17.9 37.7 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.4 -2,-0.4 2,-0.4 -0.997 7.2-151.0-126.4 126.9 34.0 18.9 34.6 89 107 A K E -MO 34 69C 40 -20,-2.8 -21,-2.8 -2,-0.4 -20,-1.1 -0.819 17.7-130.4-101.0 139.6 32.8 17.8 31.1 90 108 A L E - 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