==== 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 1GI2 . 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) . 9195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 69 30.9 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 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 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 . 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 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,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 133.2 35.5 20.6 19.0 2 17 A V B +A 171 0A 9 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.921 360.0 5.5-110.6 133.9 37.8 19.8 15.9 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.741 100.9 122.3 66.5 32.6 39.4 22.8 14.2 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.168 56.1-116.0-104.4-163.8 38.2 25.4 16.6 5 20 A Y E -B 137 0B 101 132,-2.3 132,-2.9 -2,-0.1 2,-0.5 -0.891 35.8 -86.6-134.2 165.5 40.1 27.9 18.8 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.618 35.6-149.7 -75.2 121.4 40.4 28.4 22.5 7 22 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.933 34.5-117.6 -57.3 -51.0 37.5 30.5 23.6 8 23 A G > - 0 0 26 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 -0.077 47.9 -52.8 116.1 144.6 39.2 32.3 26.5 9 24 A A T 3 S- 0 0 53 1,-0.2 44,-0.1 2,-0.1 43,-0.0 -0.232 118.0 -12.8 -56.0 125.1 38.1 32.0 30.1 10 25 A N T 3 S+ 0 0 24 42,-0.3 -1,-0.2 2,-0.1 43,-0.1 0.679 89.5 125.5 55.3 32.2 34.4 32.8 30.7 11 26 A T S < S+ 0 0 82 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.515 77.1 49.9 -89.6 -4.8 33.8 34.3 27.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.2 -0.702 74.6 173.6-128.1 75.0 30.9 31.7 26.8 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.617 70.0 56.6 -69.7 -14.6 29.1 32.4 30.2 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.414 81.3 111.6 -94.7 -2.1 26.1 30.2 29.6 15 30 A Q E < -J 28 0C 8 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.541 46.5-175.2 -74.9 132.6 28.2 27.1 28.9 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.1 -2,-0.3 2,-0.4 -0.876 20.3-139.8-124.9 162.3 27.9 24.3 31.6 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.7 -2,-0.3 2,-0.6 -0.965 16.3-142.0-116.4 134.7 29.7 21.0 32.0 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.3 -2,-0.4 7,-1.0 -0.895 25.1-168.0-101.2 127.1 27.6 18.1 33.2 19 34 A N E +JK 23 47C 22 28,-2.9 28,-2.6 -2,-0.6 4,-0.2 -0.966 32.8 167.2-122.8 131.2 29.7 16.0 35.7 20 37 A S S S- 0 0 31 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.386 98.9 -45.1-129.8 46.7 29.0 12.5 37.1 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.224 140.5 27.5 108.0 -14.2 32.6 12.1 38.5 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.937 101.6 -81.5-166.1 161.9 34.0 13.4 35.2 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.594 50.9 157.9 -74.0 129.7 32.8 15.7 32.4 24 41 A F E + 0 0 34 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.485 59.9 4.5-130.8 -14.0 30.5 13.7 30.0 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.978 62.3-122.4-165.1 163.0 28.3 16.4 28.2 26 43 A G E +J 17 0C 0 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.387 27.0 178.1-101.7-180.0 27.8 20.1 27.8 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.1 2,-0.4 -0.950 24.2-117.0-170.0 173.6 24.6 22.1 28.5 28 45 A S E -JL 15 36C 2 8,-2.2 8,-2.2 -2,-0.3 2,-0.5 -0.993 19.9-128.5-129.2 134.7 23.4 25.7 28.4 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.2 -2,-0.4 6,-0.2 -0.701 27.9 175.0 -81.1 122.9 22.1 27.7 31.3 30 47 A I E - 0 0 18 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.570 69.2 -10.9-105.0 -12.7 18.6 29.2 30.3 31 48 A N E > S- L 0 34C 47 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.920 92.0 -75.5-167.2 176.2 17.8 30.8 33.7 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.633 127.6 26.8 -63.6 -14.8 19.2 30.7 37.2 33 50 A Q T 3 S+ 0 0 57 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.383 109.6 73.3-127.0 4.9 17.8 27.2 38.0 34 51 A W E < -LM 31 89C 7 -3,-0.7 -4,-2.2 55,-0.2 -3,-1.1 -0.974 47.8-173.9-130.0 139.5 17.4 25.4 34.6 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.6 -2,-0.4 2,-0.4 -0.946 12.6-150.5-122.6 142.5 19.8 23.9 32.1 36 53 A V E +LM 28 87C 1 -8,-2.2 -8,-2.2 -2,-0.4 2,-0.2 -0.920 30.3 148.7-113.9 141.7 19.0 22.5 28.7 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.2 -2,-0.4 2,-0.3 -0.776 51.5 -65.8-147.8-166.0 21.1 19.6 27.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.741 34.7-131.6 -94.8 142.0 20.6 16.6 24.9 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.815 107.5 63.9 -63.7 -31.3 18.3 13.7 26.1 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.585 93.6 63.7 -71.6 -4.3 21.1 11.2 25.1 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.424 79.5 128.5 -93.8 -0.5 23.2 12.8 27.8 42 59 A Y < + 0 0 130 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.244 20.3 132.7 -61.9 144.5 20.7 11.7 30.5 43 60 A K - 0 0 57 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.913 53.3 -98.1-173.4 168.0 21.9 9.8 33.6 44 61 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.614 96.0 42.6 -96.3 159.1 21.3 10.0 37.3 45 62 A G S S+ 0 0 67 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.922 72.7 168.0 71.7 45.9 23.7 11.8 39.7 46 63 A I - 0 0 8 -3,-0.2 21,-1.9 -26,-0.1 2,-0.5 -0.788 20.9-166.6 -96.1 132.1 24.5 14.8 37.6 47 64 A Q E -KN 19 66C 50 -28,-2.6 -28,-2.9 -2,-0.5 2,-0.4 -0.964 17.9-139.8-114.1 132.2 26.3 17.8 39.1 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.7 -2,-0.5 2,-0.6 -0.821 12.5-156.9 -95.6 131.3 26.1 20.9 36.9 49 65AA R E -KN 17 64C 51 -32,-2.7 -32,-2.0 -2,-0.4 3,-0.3 -0.947 14.2-179.7-116.8 112.2 29.4 22.9 36.7 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.7 -2,-0.6 -34,-0.1 -0.607 59.9 34.4-103.1 161.9 29.0 26.6 35.8 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.701 83.2 151.7 66.7 21.7 31.7 29.2 35.4 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.549 23.2 151.1 -88.3 147.0 34.2 26.7 34.1 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 82,-0.3 0.351 83.0 30.8-129.7 -73.9 37.1 27.3 31.7 54 72 A N S > S- 0 0 26 3,-0.2 3,-1.2 80,-0.2 -1,-0.4 -0.776 72.6-161.0 -88.2 110.4 39.7 24.5 32.7 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.516 87.8 51.3 -72.6 -2.7 37.5 21.6 34.0 56 74 A N T 3 S+ 0 0 121 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.375 106.2 59.1-110.8 -1.0 40.5 20.0 35.8 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.9 76,-0.2 -4,-0.3 -0.995 76.4-134.8-130.2 129.4 41.5 23.2 37.8 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.685 32.5 172.2 -80.1 110.1 39.4 25.2 40.2 59 77 A E - 0 0 102 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.579 53.0 -94.5 -98.5 -9.2 40.2 28.7 38.9 60 78 A G S S+ 0 0 58 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.233 105.5 77.3 120.1 -20.7 37.8 30.7 40.9 61 79 A N + 0 0 55 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.348 65.5 122.5-107.2 8.8 34.6 31.3 38.9 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.368 38.9-171.4 -74.6 148.9 33.0 28.0 39.3 63 81 A Q E -N 50 0C 39 -13,-1.7 -13,-2.8 -2,-0.1 2,-0.6 -0.986 9.2-165.7-131.4 116.7 29.5 27.2 40.8 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.962 17.7 168.7-110.5 118.6 29.0 23.3 41.2 65 83 A I E -N 48 0C 16 -17,-2.7 -17,-3.2 -2,-0.6 2,-0.1 -0.997 29.4-126.9-132.6 134.9 25.3 22.6 41.8 66 84 A S E -N 47 0C 60 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.409 27.6-110.6 -79.0 159.7 23.5 19.2 41.9 67 85 A A E -O 90 0C 26 -21,-1.9 23,-0.3 23,-0.2 3,-0.1 -0.684 19.8-166.1 -86.5 141.4 20.4 18.6 39.7 68 86 A S E S- 0 0 77 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.674 75.7 -3.2 -98.7 -31.4 17.1 18.2 41.7 69 87 A K E -O 89 0C 82 20,-1.2 20,-2.9 2,-0.0 -1,-0.4 -0.984 56.5-151.9-161.1 155.0 15.3 16.7 38.6 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.964 9.2-164.5-126.3 141.5 15.8 15.9 34.9 71 89 A I E -O 87 0C 35 16,-2.8 16,-2.2 -2,-0.4 2,-0.3 -0.964 7.0-156.7-131.3 111.0 13.0 15.8 32.4 72 90 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.646 41.3 -88.2 -86.2 147.6 13.7 14.1 29.1 73 91 A H > - 0 0 22 12,-2.0 3,-2.0 -2,-0.3 -1,-0.1 -0.266 36.4-123.5 -52.0 132.2 11.5 15.3 26.1 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.759 109.0 42.4 -52.4 -28.4 8.3 13.1 26.1 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.079 77.4 142.3-108.8 24.3 8.9 12.0 22.5 76 94 A Y < - 0 0 58 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.469 31.9-164.9 -67.3 133.3 12.7 11.4 22.6 77 95 A N B >> -P 82 0D 68 5,-2.0 4,-2.5 -2,-0.2 5,-0.6 -0.962 6.7-162.5-118.1 107.1 13.6 8.3 20.5 78 96 A S T 45S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.629 87.3 57.2 -71.5 -9.7 17.1 7.0 21.3 79 97 A N T 45S+ 0 0 149 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.864 123.0 21.8 -88.1 -36.9 17.4 5.0 18.1 80 98 A T T 45S- 0 0 72 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.612 95.1-133.2-101.1 -17.1 16.8 8.0 15.8 81 99 A L T ><5 + 0 0 34 -4,-2.5 3,-0.9 1,-0.3 2,-0.3 0.654 50.0 156.3 69.9 22.5 17.8 10.8 18.2 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-2.0 1,-0.3 -1,-0.3 -0.637 67.0 17.7 -77.7 136.6 14.7 12.7 17.2 83 101 A N T 3 S+ 0 0 19 -2,-0.3 2,-1.9 -7,-0.2 -10,-0.3 0.871 80.3 174.6 67.1 45.8 13.7 15.1 20.0 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.541 34.0 110.2 -81.8 75.0 17.1 14.9 21.6 85 103 A I + 0 0 0 -2,-1.9 -12,-2.0 -47,-0.3 2,-0.3 -0.989 38.2 178.0-149.0 146.0 16.6 17.6 24.3 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.4 -2,-0.3 2,-0.4 -0.979 19.4-136.4-148.3 155.6 16.3 17.5 28.1 87 105 A L E -MO 36 71C 0 -16,-2.2 -16,-2.8 -2,-0.3 2,-0.4 -0.918 12.6-164.5-116.8 140.2 15.8 19.9 30.9 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.7 -2,-0.4 2,-0.4 -0.997 7.5-152.7-126.8 124.4 17.7 19.8 34.2 89 107 A K E -MO 34 69C 42 -20,-2.9 -21,-2.8 -2,-0.4 -20,-1.2 -0.822 19.3-129.8 -99.2 136.2 16.5 21.8 37.2 90 108 A L E - 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0 0 25 -88,-1.1 -72,-0.3 -2,-0.5 2,-0.1 -0.972 45.5-113.1-143.3 156.4 24.9 34.3 32.6 102 120 A S - 0 0 54 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.2 -0.490 25.7-130.5 -90.2 166.6 21.9 32.6 30.9 103 121 A I - 0 0 15 -74,-2.2 2,-0.2 -89,-0.2 83,-0.1 -0.893 26.0-110.6-114.3 146.6 21.3 32.6 27.1 104 122 A S B -c 186 0B 59 81,-0.7 83,-2.8 -2,-0.4 -73,-0.1 -0.476 22.5-124.8 -78.8 147.6 18.0 33.6 25.6 105 123 A L - 0 0 35 81,-0.2 2,-0.1 -2,-0.2 83,-0.1 -0.509 38.8-101.1 -84.9 156.8 15.7 31.2 23.9 106 124 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.419 19.2-161.3 -82.5 155.7 14.8 32.1 20.3 107 125 A T S S+ 0 0 130 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.640 85.4 28.1-103.9 -23.9 11.5 33.7 19.1 108 127 A S S S- 0 0 76 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.941 88.9-106.4-135.5 156.3 12.1 32.6 15.5 109 128 A c - 0 0 56 -2,-0.3 2,-0.1 -3,-0.1 79,-0.1 -0.598 40.7-114.4 -81.5 144.0 14.0 29.7 14.0 110 129 A A - 0 0 26 -2,-0.2 2,-0.2 78,-0.1 -1,-0.1 -0.424 27.7-126.7 -79.4 155.5 17.3 30.6 12.3 111 130 A S > - 0 0 84 -2,-0.1 3,-2.2 1,-0.1 31,-0.3 -0.644 31.3 -87.1-101.9 157.7 17.8 30.2 8.6 112 132 A A T 3 S+ 0 0 55 1,-0.3 31,-0.2 -2,-0.2 -1,-0.1 -0.312 116.4 42.3 -55.2 144.4 20.5 28.4 6.6 113 133 A G T 3 S+ 0 0 60 29,-2.9 -1,-0.3 1,-0.4 30,-0.1 0.043 80.8 131.2 100.3 -25.4 23.4 30.8 6.2 114 134 A T < - 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