==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-03 1O3M . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,K.ELROD,E.VERNER,R.L.MACKMAN,C.LUONG,W.D.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9145.0 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 . 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 . 17 7.6 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 . 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 . 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 131.0 52.9 -3.7 25.4 2 17 A V B +A 171 0A 10 169,-2.9 169,-2.2 1,-0.2 123,-0.1 -0.918 360.0 9.5-110.4 133.5 52.8 -7.4 24.4 3 18 A G S S+ 0 0 48 121,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.660 103.1 120.3 73.3 18.2 54.9 -8.4 21.4 4 19 A G - 0 0 33 -3,-0.2 2,-0.3 167,-0.1 134,-0.2 -0.145 55.5-120.9 -99.7-164.4 56.6 -5.0 21.2 5 20 A Y E -B 137 0B 92 132,-2.3 132,-2.9 -3,-0.1 2,-0.5 -0.864 34.3 -83.8-134.8 170.4 60.3 -3.9 21.4 6 21 A T E -B 136 0B 70 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.632 36.8-148.9 -75.1 120.3 62.4 -1.7 23.6 7 22 A a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.901 35.6-115.1 -58.8 -43.7 62.0 1.8 22.2 8 23 A G > - 0 0 28 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 0.023 49.3 -55.2 113.1 139.5 65.5 3.0 23.1 9 24 A A T 3 S- 0 0 57 1,-0.2 44,-0.1 2,-0.1 43,-0.1 -0.160 117.7 -11.2 -52.3 128.3 66.0 5.9 25.7 10 25 A N T 3 S+ 0 0 37 42,-0.3 -1,-0.2 2,-0.1 43,-0.1 0.689 89.9 126.2 54.8 28.3 64.2 9.1 24.9 11 26 A T S < S+ 0 0 82 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.578 77.0 48.1 -86.7 -7.7 63.2 8.1 21.3 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.7 1,-0.1 -1,-0.3 -0.692 73.3 172.8-128.1 74.9 59.5 8.9 22.2 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.656 71.0 58.6 -67.2 -17.4 60.0 12.4 23.8 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.479 80.8 109.2 -91.3 -1.7 56.3 13.2 24.1 15 30 A Q E < -J 28 0C 7 -3,-1.7 36,-0.4 13,-0.2 37,-0.4 -0.566 47.1-175.3 -75.2 130.6 55.6 10.0 26.3 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.3 2,-0.4 -0.854 19.7-139.4-123.1 162.0 54.8 10.7 30.0 17 32 A S E -JK 26 49C 0 32,-1.9 32,-2.6 -2,-0.3 2,-0.6 -0.972 15.1-141.9-117.1 131.0 54.2 8.3 33.0 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.1 -2,-0.4 7,-1.0 -0.864 28.4-167.9 -97.0 127.0 51.4 9.3 35.4 19 34 A N E +JK 23 47C 17 28,-2.8 28,-2.3 -2,-0.6 4,-0.2 -0.966 35.0 166.5-123.6 135.5 52.7 8.4 38.9 20 37 A S S S- 0 0 36 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.391 97.2 -48.0-134.7 46.6 51.0 8.2 42.4 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.426 139.9 30.9 100.3 -3.7 53.9 6.3 44.1 22 39 A Y S S- 0 0 128 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.913 101.5 -85.5-172.0 161.9 54.0 3.8 41.1 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.669 49.2 159.4 -80.2 128.0 53.3 4.1 37.3 24 41 A F E + 0 0 28 -6,-2.1 2,-0.3 1,-0.4 151,-0.3 0.566 60.9 4.8-125.9 -23.1 49.6 3.6 36.7 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.982 60.9-128.7-155.7 166.9 49.0 5.2 33.2 26 43 A G E +J 17 0C 1 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.463 24.6 179.2-108.2-179.1 50.7 6.9 30.3 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.964 24.6-113.8-170.0 174.0 49.9 10.2 28.6 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.4 -2,-0.3 2,-0.6 -0.981 19.5-130.5-126.0 136.7 51.2 12.5 25.8 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.2 -2,-0.4 6,-0.2 -0.737 28.3 172.7 -83.7 119.6 52.7 16.0 26.2 30 47 A I E - 0 0 19 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.616 69.1 -7.3-106.0 -13.8 50.9 18.3 23.7 31 48 A N E > S- L 0 34C 48 3,-1.1 3,-0.6 70,-0.1 -1,-0.2 -0.908 92.5 -78.9-161.7 178.6 52.4 21.7 24.8 32 49 A S T 3 S+ 0 0 49 -2,-0.3 62,-2.9 1,-0.2 3,-0.1 0.657 126.6 28.8 -69.6 -11.3 54.7 22.7 27.7 33 50 A Q T 3 S+ 0 0 57 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.393 110.5 69.8-126.2 5.6 52.0 22.8 30.3 34 51 A W E < -LM 31 89C 11 -3,-0.6 -4,-2.0 55,-0.2 -3,-1.1 -0.972 48.6-174.8-131.6 141.4 49.4 20.3 29.1 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.4 -2,-0.4 2,-0.4 -0.923 15.8-143.7-124.1 148.8 49.2 16.5 28.8 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.2 -0.950 33.0 147.0-116.9 135.8 46.4 14.3 27.3 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.4 -2,-0.4 2,-0.3 -0.720 49.3 -68.3-145.1-164.1 45.5 11.0 28.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.2 -0.755 32.1-129.3-100.6 145.3 42.4 8.8 29.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.822 107.7 63.2 -61.2 -33.3 39.5 9.7 31.5 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.598 93.1 64.2 -71.7 -5.7 39.7 6.3 33.1 41 58 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.480 77.4 128.7 -92.7 -3.0 43.2 7.1 34.4 42 59 A Y < + 0 0 124 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.0 -0.217 21.1 130.8 -56.3 133.3 41.8 9.9 36.6 43 60 A K - 0 0 60 0, 0.0 3,-0.2 0, 0.0 2,-0.2 -0.956 53.9-104.3-166.2 170.5 42.7 10.0 40.3 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.641 94.7 52.6-101.1 166.5 44.0 12.7 42.6 45 62 A G S S+ 0 0 66 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.886 72.6 164.5 79.5 38.3 47.7 12.8 43.7 46 63 A I - 0 0 11 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.760 21.7-172.4 -97.1 131.9 49.2 12.7 40.1 47 64 A Q E -KN 19 66C 53 -28,-2.3 -28,-2.8 -2,-0.5 2,-0.5 -0.967 19.9-140.6-114.9 133.2 52.8 13.5 39.5 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.7 -2,-0.5 2,-0.6 -0.834 13.1-156.9 -96.9 128.9 53.6 13.7 35.7 49 65AA R E -KN 17 64C 50 -32,-2.6 -32,-1.9 -2,-0.5 3,-0.3 -0.927 13.3-177.2-115.1 114.3 57.0 12.2 34.9 50 66 A L E + N 0 63C 2 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.636 60.3 31.7-104.0 160.9 58.6 13.4 31.7 51 69 A G S S+ 0 0 6 -36,-0.4 -1,-0.2 -38,-0.3 2,-0.2 0.686 84.5 152.3 65.3 22.4 61.9 12.4 30.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.481 23.3 150.6 -87.3 154.9 61.7 8.8 31.4 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.2 -1,-0.1 0.200 83.1 32.1-139.2 -82.4 63.0 5.5 30.0 54 72 A N S > S- 0 0 23 80,-0.2 3,-0.8 1,-0.2 -1,-0.4 -0.719 74.6-162.6 -80.0 112.7 63.7 3.2 33.0 55 73 A I T 3 S+ 0 0 28 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.541 85.3 54.3 -76.2 -3.3 60.8 4.4 35.5 56 74 A N T 3 S+ 0 0 115 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.490 105.2 55.6-106.1 -7.6 62.5 2.8 38.5 57 75 A V S < S- 0 0 69 -3,-0.8 2,-0.8 76,-0.2 -4,-0.2 -0.986 76.3-133.2-124.5 135.3 66.0 4.6 38.1 58 76 A V + 0 0 114 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.774 37.4 164.7 -86.0 113.5 66.7 8.3 37.9 59 77 A E - 0 0 103 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.509 54.8 -88.6-108.0 -9.1 69.1 8.2 34.8 60 78 A G S S+ 0 0 35 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.128 104.1 67.0 109.9 150.7 69.0 12.0 34.0 61 79 A N + 0 0 71 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.213 69.7 131.9 88.0 -9.3 66.6 13.9 31.7 62 80 A E - 0 0 32 -11,-0.0 2,-0.4 -13,-0.0 -1,-0.3 -0.453 35.8-172.2 -73.6 145.3 63.6 13.3 34.0 63 81 A Q E -N 50 0C 36 -13,-1.7 -13,-2.9 -2,-0.1 2,-0.6 -0.990 6.6-162.5-135.5 123.5 61.3 16.2 35.0 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.955 17.0 172.3-110.9 115.7 58.7 15.4 37.7 65 83 A I E -N 48 0C 20 -17,-2.7 -17,-3.1 -2,-0.6 2,-0.1 -0.982 29.0-124.8-127.7 135.7 55.9 18.0 37.8 66 84 A S E -N 47 0C 41 -2,-0.4 25,-2.6 -19,-0.2 2,-0.3 -0.429 29.1-111.2 -76.5 155.2 52.7 17.8 39.8 67 85 A A E -O 90 0C 21 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.680 19.8-162.1 -81.6 136.2 49.4 18.1 38.0 68 86 A S E S- 0 0 78 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.819 74.5 -17.4 -89.3 -33.7 47.7 21.4 39.0 69 87 A K E -O 89 0C 91 20,-1.2 20,-2.6 2,-0.0 2,-0.4 -0.959 55.5-142.3-165.2 152.4 44.3 20.0 37.7 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.6 18,-0.2 18,-0.3 -0.958 12.7-157.0-119.7 138.8 42.8 17.2 35.5 71 89 A I E -O 87 0C 33 16,-3.2 16,-2.0 -2,-0.4 2,-0.2 -0.929 7.1-160.1-120.4 103.2 39.8 17.8 33.3 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.615 40.2 -91.9 -80.3 141.8 37.9 14.7 32.5 73 91 A H > - 0 0 25 12,-2.1 3,-1.9 10,-0.3 -1,-0.1 -0.313 35.0-129.6 -52.3 131.7 35.6 15.0 29.3 74 92 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.811 106.8 48.7 -58.5 -28.5 32.2 16.1 30.8 75 93 A S T 3 S+ 0 0 75 2,-0.1 2,-0.1 8,-0.0 -2,-0.1 0.147 77.5 139.1 -98.9 21.0 30.4 13.3 28.7 76 94 A Y < - 0 0 56 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.474 37.6-159.8 -65.1 136.7 32.8 10.6 29.7 77 95 A N B >> -P 82 0D 62 5,-1.9 4,-2.5 -2,-0.1 5,-0.6 -0.964 6.5-161.7-118.1 109.6 30.8 7.4 30.4 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.636 88.3 55.2 -70.6 -10.6 32.7 4.9 32.6 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.862 124.2 20.9 -90.6 -36.8 30.5 2.0 31.5 80 98 A T T 45S- 0 0 67 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.609 94.8-134.7-101.9 -15.9 31.0 2.3 27.8 81 99 A L T ><5 + 0 0 30 -4,-2.5 3,-0.8 1,-0.3 2,-0.2 0.701 48.1 158.7 66.9 26.4 34.3 4.3 28.0 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-1.9 1,-0.2 -1,-0.3 -0.606 65.6 20.1 -76.5 141.8 32.8 6.6 25.3 83 101 A N T 3 S+ 0 0 20 -2,-0.2 2,-1.9 -7,-0.2 -10,-0.3 0.902 80.9 173.3 65.5 44.4 34.7 10.1 25.5 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.518 32.1 112.3 -83.2 78.4 37.6 8.4 27.3 85 103 A I - 0 0 0 -2,-1.9 -12,-2.1 -47,-0.2 2,-0.3 -0.996 38.9-178.0-149.9 145.4 39.9 11.5 27.2 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.8 -2,-0.3 2,-0.4 -0.993 16.4-144.4-144.3 146.5 41.3 13.8 30.0 87 105 A L E -MO 36 71C 0 -16,-2.0 -16,-3.2 -2,-0.3 2,-0.4 -0.896 12.4-161.7-112.5 141.0 43.5 16.9 29.9 88 106 A I E -MO 35 70C 0 -53,-2.4 -53,-2.3 -2,-0.4 2,-0.4 -0.995 6.4-151.8-124.4 127.1 46.1 17.5 32.8 89 107 A K E -MO 34 69C 47 -20,-2.6 -21,-2.9 -2,-0.4 -20,-1.2 -0.833 20.7-127.8 -98.9 137.7 47.5 20.9 33.3 90 108 A L E - O 0 67C 0 -57,-2.9 -23,-0.2 -2,-0.4 -24,-0.1 -0.588 8.7-129.6 -86.0 148.3 51.0 20.9 34.9 91 109 A K S S+ 0 0 136 -25,-2.6 2,-0.3 -2,-0.2 -1,-0.1 0.919 98.8 15.8 -62.1 -45.1 51.8 23.1 38.1 92 110 A S S S- 0 0 75 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.886 95.7 -99.8-125.5 159.0 54.9 24.5 36.1 93 111 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.521 40.7-115.6 -77.9 151.4 55.7 24.4 32.4 94 112 A A - 0 0 9 -62,-2.9 2,-0.7 -2,-0.1 -1,-0.1 -0.518 20.7-117.2 -83.4 154.7 58.1 21.6 31.3 95 113 A S - 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