==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JAN-01 1GI0 . 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,J . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 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 . 1 0.4 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 . 15 6.7 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 2 6 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 3,-0.3 0.000 360.0 360.0 360.0 130.2 51.7 14.4 49.1 2 17 A V B +A 171 0A 6 169,-2.6 169,-1.7 1,-0.2 123,-0.1 -0.903 360.0 9.3-111.2 135.0 54.1 14.3 52.1 3 18 A G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.732 102.4 116.2 69.6 27.9 55.7 11.0 53.2 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.219 57.4-118.0-108.6-163.8 54.5 9.1 50.1 5 20 A Y E -B 137 0B 95 132,-2.4 132,-2.7 -2,-0.1 2,-0.6 -0.900 33.5 -83.2-137.8 168.2 56.3 7.5 47.2 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 3,-0.1 -0.588 37.0-152.2 -74.7 119.1 56.6 7.8 43.5 7 22 A a - 0 0 21 128,-1.7 -1,-0.2 -2,-0.6 2,-0.2 0.937 37.7-112.0 -54.5 -53.7 53.6 5.9 42.0 8 23 A G > - 0 0 25 127,-0.5 3,-1.2 -3,-0.1 4,-0.3 -0.329 47.6 -54.4 126.9 154.2 55.3 4.9 38.8 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 -2,-0.2 43,-0.0 -0.457 119.9 -12.5 -64.7 126.6 54.4 6.2 35.3 10 25 A N T 3 S+ 0 0 31 42,-0.4 -1,-0.3 -2,-0.2 43,-0.1 0.788 90.7 126.8 50.4 45.2 50.7 5.6 34.6 11 26 A T S < S+ 0 0 78 -3,-1.2 -2,-0.1 1,-0.2 -1,-0.1 0.523 77.5 49.1 -99.3 -11.2 49.9 3.3 37.6 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.698 75.9 173.6-123.5 70.4 47.0 5.6 38.7 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.613 70.5 57.8 -67.5 -12.3 45.5 5.7 35.2 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.401 80.9 112.6 -95.9 -0.4 42.3 7.7 36.3 15 30 A Q E < -J 28 0C 7 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.582 46.7-172.3 -77.9 136.9 44.3 10.6 37.8 16 31 A V E -JK 27 50C 2 11,-2.5 11,-1.3 -2,-0.2 2,-0.4 -0.884 18.3-143.2-128.1 158.5 44.0 13.9 36.0 17 32 A S E -JK 26 49C 1 32,-1.8 32,-2.4 -2,-0.3 2,-0.5 -0.988 14.5-145.0-119.9 128.6 45.8 17.3 36.3 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.1 -2,-0.4 7,-1.0 -0.847 23.9-169.5 -96.8 129.1 43.7 20.4 35.9 19 34 A N E +JK 23 47C 22 28,-2.8 28,-1.9 -2,-0.5 4,-0.2 -0.980 30.7 172.5-126.7 133.3 45.8 23.1 34.1 20 37 A S S S- 0 0 32 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.332 97.0 -46.3-129.6 45.7 45.1 26.8 33.6 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.250 141.2 29.1 106.9 -8.6 48.6 27.5 32.2 22 39 A Y S S- 0 0 134 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.928 102.3 -82.6-167.6 161.5 50.1 25.5 35.1 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.617 51.0 156.3 -75.5 128.9 48.9 22.6 37.3 24 41 A F E + 0 0 33 -6,-2.1 2,-0.3 1,-0.4 151,-0.2 0.532 60.7 7.4-129.3 -17.6 46.6 23.8 40.1 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.979 62.3-124.2-159.5 165.1 44.4 20.7 41.1 26 43 A G E -J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.474 26.3-180.0-104.8 175.7 44.0 17.0 40.5 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.5 -2,-0.2 2,-0.4 -0.953 23.0-118.0-166.0 173.2 40.9 15.2 39.4 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.5 -2,-0.3 2,-0.5 -0.989 19.4-131.2-128.0 135.7 39.5 11.7 38.6 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.3 -2,-0.4 6,-0.2 -0.736 24.8 176.5 -83.7 123.1 38.2 10.4 35.2 30 47 A I E - 0 0 20 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.586 69.3 -16.1-104.1 -12.6 34.8 8.7 35.9 31 48 A N E > S- L 0 34C 48 3,-1.2 3,-0.9 70,-0.1 -1,-0.4 -0.925 89.1 -73.8-172.6 172.7 34.1 7.9 32.1 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.650 128.4 31.7 -54.4 -25.1 35.4 9.1 28.7 33 50 A Q T 3 S+ 0 0 78 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.489 110.6 66.3-112.5 -6.7 33.6 12.5 28.9 34 51 A W E < -LM 31 89C 4 -3,-0.9 -4,-2.2 55,-0.2 -3,-1.2 -0.953 46.2-174.8-131.0 147.1 33.6 13.4 32.6 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.5 -2,-0.4 2,-0.4 -0.955 14.0-149.4-127.6 143.3 36.0 14.3 35.4 36 53 A V E +LM 28 87C 1 -8,-2.5 -8,-2.3 -2,-0.3 2,-0.2 -0.940 30.4 149.0-115.6 140.0 35.2 14.8 39.1 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.2 -2,-0.4 2,-0.3 -0.756 50.4 -66.5-147.3-166.7 37.3 17.2 41.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.717 33.3-132.6 -96.0 143.2 36.8 19.6 44.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.848 106.1 63.6 -62.6 -31.9 34.5 22.7 43.8 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.608 94.1 63.3 -72.1 -4.0 37.2 24.9 45.5 41 58 A b G < S+ 0 0 3 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.346 77.0 133.4 -94.6 3.3 39.4 24.0 42.4 42 59 A Y < + 0 0 121 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.326 22.3 151.9 -60.6 135.9 36.8 25.8 40.2 43 60 A K - 0 0 55 -2,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.925 46.5-112.8-153.2 163.1 38.3 28.2 37.6 44 61 A S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.807 97.1 36.8-100.2 144.4 37.2 29.4 34.2 45 62 A G S S+ 0 0 69 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.967 75.2 170.9 79.1 56.0 39.5 28.1 31.4 46 63 A I - 0 0 10 -3,-0.2 21,-2.3 21,-0.1 2,-0.4 -0.831 20.0-165.7-105.2 141.0 40.5 24.6 32.4 47 64 A Q E -KN 19 66C 47 -28,-1.9 -28,-2.8 -2,-0.4 2,-0.5 -0.966 17.3-142.6-120.5 134.8 42.4 22.1 30.3 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.6 -2,-0.4 2,-0.5 -0.862 10.4-157.6-101.3 133.3 42.3 18.5 31.6 49 66 A R E -KN 17 64C 51 -32,-2.4 -32,-1.8 -2,-0.5 3,-0.3 -0.975 12.0-172.9-119.8 119.8 45.6 16.6 31.1 50 67 A L E +KN 16 63C 3 13,-3.0 13,-1.7 -2,-0.5 -34,-0.1 -0.707 60.9 30.3-106.6 157.3 45.2 12.8 31.1 51 69 A G S S+ 0 0 5 -36,-0.5 2,-0.2 -38,-0.3 10,-0.2 0.755 82.5 153.7 63.8 31.5 48.0 10.0 31.1 52 70 A E + 0 0 13 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.584 22.9 155.7 -90.8 149.8 50.5 12.2 32.9 53 71 A D S S+ 0 0 17 1,-0.6 2,-0.5 4,-0.3 82,-0.3 0.316 80.9 29.6-132.9 -75.4 53.3 11.1 35.0 54 72 A N S > S- 0 0 28 3,-0.2 3,-0.7 80,-0.2 -1,-0.6 -0.781 73.5-156.8 -85.0 125.6 55.9 14.0 34.9 55 73 A I T 3 S+ 0 0 30 78,-2.6 -1,-0.1 -2,-0.5 79,-0.1 0.606 89.0 52.2 -81.6 -6.3 53.8 17.2 34.4 56 74 A N T 3 S+ 0 0 119 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.340 105.0 61.0-104.6 1.3 56.7 19.2 33.0 57 75 A V S < S- 0 0 69 -3,-0.7 2,-0.9 76,-0.2 -4,-0.3 -0.991 73.0-137.6-131.8 130.5 57.6 16.7 30.3 58 76 A V + 0 0 109 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.755 28.3 174.4 -85.0 110.1 55.5 15.3 27.3 59 77 A E - 0 0 99 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.487 53.9 -99.1 -97.0 -3.4 56.5 11.7 27.6 60 78 A G S S+ 0 0 58 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.178 104.2 86.5 108.5 -18.2 54.1 10.5 24.9 61 79 A N + 0 0 51 -10,-0.2 2,-0.2 38,-0.0 -3,-0.0 0.139 65.0 113.7-104.4 26.6 51.1 9.2 26.9 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.620 42.5-169.7-102.1 159.0 49.2 12.4 27.3 63 81 A Q E -N 50 0C 38 -13,-1.7 -13,-3.0 -2,-0.2 2,-0.5 -0.982 9.7-163.8-137.8 125.8 45.9 13.7 26.1 64 82 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.985 17.8 171.3-115.6 118.0 45.2 17.4 26.8 65 83 A I E -N 48 0C 18 -17,-2.6 -17,-3.3 -2,-0.5 2,-0.1 -0.995 27.9-127.2-131.8 134.7 41.5 18.2 26.4 66 84 A S E -N 47 0C 55 -2,-0.4 25,-2.9 -19,-0.3 26,-0.4 -0.459 27.9-110.5 -80.1 156.7 39.7 21.4 27.2 67 85 A A E -O 90 0C 23 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.641 19.7-165.1 -85.2 141.9 36.6 21.4 29.4 68 86 A S E S- 0 0 66 21,-2.6 2,-0.3 1,-0.4 22,-0.2 0.718 75.1 -2.6 -96.4 -29.9 33.3 22.3 27.7 69 87 A K E -O 89 0C 85 20,-1.0 20,-2.9 2,-0.0 -1,-0.4 -0.971 56.2-152.0-162.0 154.0 31.5 22.9 31.1 70 88 A S E -O 88 0C 43 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.954 9.4-165.3-127.9 142.0 32.0 22.8 34.8 71 89 A I E -O 87 0C 33 16,-2.8 16,-2.5 -2,-0.3 2,-0.3 -0.966 6.2-158.2-132.2 111.7 29.3 22.2 37.4 72 90 A V E -O 86 0C 50 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.641 41.4 -87.0 -88.5 149.7 29.9 23.0 41.0 73 91 A H > - 0 0 21 12,-2.0 3,-2.2 -2,-0.3 -1,-0.1 -0.295 35.8-124.3 -55.0 132.5 27.7 21.2 43.5 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.741 109.5 40.7 -50.3 -28.0 24.4 23.2 44.1 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.164 78.7 141.9-110.5 20.8 25.1 23.4 47.9 76 94 A Y < - 0 0 57 -3,-2.2 2,-0.5 9,-0.1 7,-0.2 -0.427 33.6-162.4 -63.3 135.1 28.8 24.0 47.9 77 95 A N B >> -P 82 0D 64 5,-1.9 4,-2.0 -2,-0.1 5,-0.6 -0.968 7.8-162.4-119.8 108.7 29.7 26.4 50.7 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.642 86.9 60.6 -70.0 -11.3 33.2 28.0 50.1 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.885 122.5 16.8 -84.5 -36.8 33.4 29.0 53.8 80 98 A T T 45S- 0 0 70 -3,-0.4 -2,-0.2 2,-0.1 3,-0.1 0.494 96.4-128.7-107.0 -12.9 33.1 25.5 55.4 81 99 A L T ><5 + 0 0 32 -4,-2.0 3,-0.8 1,-0.3 2,-0.3 0.696 50.7 159.8 68.1 25.6 34.0 23.6 52.2 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-1.9 1,-0.2 -1,-0.3 -0.585 66.1 17.8 -75.6 138.1 30.9 21.5 52.8 83 101 A N T 3 S+ 0 0 17 -2,-0.3 2,-2.0 -7,-0.2 -10,-0.3 0.907 80.3 176.5 65.5 46.6 29.9 19.7 49.5 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.495 33.7 110.6 -83.2 74.2 33.3 20.3 48.0 85 103 A I + 0 0 0 -2,-2.0 -12,-2.0 -47,-0.3 2,-0.3 -0.994 37.3 176.8-148.2 144.8 32.7 18.5 44.7 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.4 -2,-0.3 2,-0.4 -0.973 20.4-135.3-146.6 155.3 32.4 19.6 41.0 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.4 -0.924 13.8-164.4-117.2 140.4 32.0 17.9 37.6 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.3 -2,-0.4 2,-0.4 -0.994 7.6-151.8-126.0 123.2 33.9 18.8 34.5 89 107 A K E -MO 34 69C 40 -20,-2.9 -21,-2.6 -2,-0.4 -20,-1.0 -0.794 17.6-128.8 -98.8 141.0 32.8 17.7 31.0 90 108 A L E - 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