==== 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 1O2R . 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) . 9189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 16 7.2 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.7 52.9 -3.7 25.4 2 17 A V B +A 171 0A 10 169,-2.7 169,-2.2 1,-0.2 123,-0.1 -0.901 360.0 7.6-106.9 134.2 52.8 -7.4 24.5 3 18 A G S S+ 0 0 50 121,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.715 102.3 122.5 69.4 23.2 55.0 -8.5 21.5 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.196 55.7-118.6-101.1-164.1 56.7 -5.0 21.2 5 20 A Y E -B 137 0B 89 132,-2.3 132,-2.8 -3,-0.1 2,-0.3 -0.907 34.7 -85.1-134.8 162.1 60.4 -3.9 21.4 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.499 36.2-146.8 -67.1 124.5 62.4 -1.6 23.6 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.3 129,-0.1 0.916 35.2-115.1 -62.5 -41.8 62.0 1.8 22.2 8 23 A G > - 0 0 30 127,-0.4 3,-1.6 4,-0.0 4,-0.3 -0.004 50.3 -56.1 113.4 141.2 65.5 3.0 23.1 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.235 117.5 -10.2 -57.1 128.2 65.9 5.9 25.7 10 25 A N T 3 S+ 0 0 38 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.639 90.0 126.1 60.3 21.9 64.1 9.1 24.9 11 26 A T S < S+ 0 0 82 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.566 76.4 48.7 -82.7 -7.3 63.1 8.1 21.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.687 74.2 174.2-126.1 73.7 59.4 8.8 22.1 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.7 0, 0.0 38,-0.3 0.591 71.9 56.6 -68.3 -10.4 59.9 12.3 23.7 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.490 80.7 109.5 -98.4 -4.8 56.2 13.1 24.1 15 30 A Q E < -J 28 0C 7 -3,-1.8 37,-0.4 13,-0.2 36,-0.4 -0.493 47.6-174.6 -72.2 133.1 55.5 10.0 26.2 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.2 -2,-0.2 2,-0.4 -0.889 20.0-139.1-126.8 161.7 54.7 10.7 29.9 17 32 A S E -JK 26 49C 0 32,-1.9 32,-2.9 -2,-0.3 2,-0.6 -0.970 15.0-143.1-116.4 131.4 54.1 8.3 32.9 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.0 -2,-0.4 7,-0.9 -0.865 28.7-168.4 -97.4 129.5 51.3 9.4 35.4 19 34 A N E +JK 23 47C 15 28,-2.8 28,-2.1 -2,-0.6 4,-0.2 -0.974 36.1 166.4-127.1 135.7 52.6 8.5 38.8 20 37 A S S S- 0 0 36 2,-1.8 3,-0.1 -2,-0.4 26,-0.1 -0.401 97.1 -47.2-134.9 48.1 51.0 8.3 42.3 21 38 A G S S+ 0 0 71 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.431 139.2 31.3 99.9 -4.0 53.9 6.3 44.0 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-1.8 0, 0.0 2,-0.4 -0.929 101.7 -85.3-169.7 164.8 54.0 3.9 41.1 23 40 A H E +J 19 0C 29 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.704 50.4 159.2 -82.3 130.2 53.3 4.1 37.3 24 41 A F E + 0 0 29 -6,-2.0 2,-0.3 1,-0.4 151,-0.2 0.651 60.8 5.7-124.4 -31.1 49.5 3.6 36.7 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.4 -0.975 61.5-129.8-150.1 163.8 48.9 5.2 33.2 26 43 A G E +J 17 0C 2 151,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.413 25.4 177.8-103.7-179.3 50.7 6.8 30.2 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.2 -2,-0.1 2,-0.4 -0.954 24.8-112.0-170.2 175.9 49.8 10.1 28.5 28 45 A S E -JL 15 36C 2 8,-2.0 8,-2.3 -2,-0.3 2,-0.5 -0.985 19.4-131.3-127.4 134.7 51.1 12.5 25.7 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.2 -2,-0.4 6,-0.2 -0.722 27.1 174.0 -82.1 125.3 52.6 15.9 26.1 30 47 A I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.549 68.9 -9.8-110.9 -9.7 50.8 18.3 23.6 31 48 A N E > S- L 0 34C 49 3,-1.0 3,-0.6 70,-0.1 -1,-0.3 -0.921 92.8 -77.3-166.3 178.2 52.4 21.6 24.6 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.657 126.7 31.5 -69.0 -11.0 54.6 22.6 27.6 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.446 109.6 66.8-123.0 1.0 51.8 22.8 30.2 34 51 A W E < -LM 31 89C 10 -3,-0.6 -4,-2.3 55,-0.2 -3,-1.0 -0.971 48.1-173.0-132.4 144.7 49.3 20.1 29.1 35 52 A V E -LM 29 88C 0 53,-2.1 53,-2.8 -2,-0.4 2,-0.4 -0.927 15.4-144.4-125.2 147.4 49.1 16.4 28.7 36 53 A V E +LM 28 87C 0 -8,-2.3 -8,-2.0 -2,-0.3 2,-0.2 -0.935 33.2 146.8-115.0 134.7 46.3 14.3 27.2 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.4 -2,-0.4 2,-0.3 -0.732 50.1 -68.0-146.0-164.5 45.4 10.9 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.751 33.0-129.2 -99.2 144.1 42.3 8.7 29.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.840 106.4 62.7 -59.3 -35.9 39.5 9.7 31.5 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.511 93.3 63.1 -73.6 2.3 39.5 6.3 33.2 41 58 A b G < S+ 0 0 6 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.332 78.4 128.7-100.9 2.3 43.1 7.0 34.4 42 59 A Y < + 0 0 121 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.296 21.1 135.3 -61.8 141.5 41.8 9.9 36.5 43 60 A K - 0 0 56 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.943 51.9-102.6-169.7 167.3 42.7 10.1 40.2 44 61 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.574 96.4 46.9 -97.8 168.3 43.9 12.9 42.5 45 62 A G S S+ 0 0 66 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.957 74.0 166.0 70.3 49.4 47.6 13.2 43.5 46 63 A I - 0 0 11 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.835 21.4-168.2-102.5 136.9 49.0 12.7 40.0 47 64 A Q E -KN 19 66C 52 -28,-2.1 -28,-2.8 -2,-0.4 2,-0.5 -0.987 17.5-141.7-118.7 128.8 52.7 13.5 39.4 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.6 -2,-0.5 2,-0.6 -0.809 11.5-155.9 -94.9 129.3 53.5 13.6 35.6 49 65AA R E -KN 17 64C 51 -32,-2.9 -32,-1.9 -2,-0.5 3,-0.3 -0.923 14.1-177.4-113.7 112.3 56.9 12.2 34.8 50 66 A L E + N 0 63C 2 13,-2.7 13,-1.6 -2,-0.6 -34,-0.1 -0.584 60.5 32.4-100.6 162.0 58.5 13.4 31.6 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.720 84.9 151.7 62.3 25.7 61.9 12.4 30.0 52 70 A E + 0 0 12 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.519 24.1 150.4 -90.6 154.8 61.6 8.9 31.3 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.2 82,-0.2 0.227 82.6 32.5-139.0 -78.8 63.0 5.6 30.0 54 72 A N S > S- 0 0 23 80,-0.2 3,-1.0 1,-0.2 -1,-0.4 -0.754 73.3-162.6 -81.8 113.2 63.6 3.3 33.0 55 73 A I T 3 S+ 0 0 29 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.559 86.4 53.6 -76.3 -5.4 60.7 4.5 35.5 56 74 A N T 3 S+ 0 0 113 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.402 106.2 55.5-106.2 0.0 62.5 2.9 38.5 57 75 A V S < S- 0 0 73 -3,-1.0 2,-0.8 76,-0.2 -4,-0.2 -0.999 76.1-133.5-132.3 132.6 65.9 4.6 38.0 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.756 37.3 165.0 -82.9 110.9 66.6 8.5 37.8 59 77 A E - 0 0 104 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.508 54.3 -90.7-106.6 -10.6 69.0 8.3 34.7 60 78 A G S S+ 0 0 35 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.177 103.6 69.0 110.7 154.5 68.9 12.0 33.9 61 79 A N + 0 0 66 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.152 69.7 132.5 87.0 -11.9 66.4 13.9 31.6 62 80 A E - 0 0 34 -11,-0.0 2,-0.4 -13,-0.0 -1,-0.3 -0.407 35.8-172.7 -71.4 145.0 63.5 13.4 34.0 63 81 A Q E -N 50 0C 35 -13,-1.6 -13,-2.7 -3,-0.1 2,-0.6 -0.988 7.2-162.2-135.0 122.4 61.2 16.3 34.9 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.954 17.8 172.2-109.5 117.2 58.7 15.4 37.6 65 83 A I E -N 48 0C 22 -17,-2.6 -17,-3.2 -2,-0.6 2,-0.2 -0.985 29.3-124.4-130.0 139.7 55.9 17.9 37.7 66 84 A S E -N 47 0C 48 -2,-0.4 25,-2.8 -19,-0.2 26,-0.3 -0.501 29.3-112.5 -79.7 150.6 52.6 17.8 39.7 67 85 A A E -O 90 0C 22 -21,-2.1 23,-0.3 23,-0.2 -21,-0.1 -0.650 20.1-161.7 -78.6 137.7 49.3 18.1 37.9 68 86 A S E S- 0 0 77 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.848 74.7 -13.4 -89.3 -40.4 47.5 21.5 38.7 69 87 A K E -O 89 0C 88 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.981 57.1-144.9-156.4 152.9 44.1 20.1 37.5 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.965 13.0-157.6-119.3 136.9 42.8 17.2 35.5 71 89 A I E -O 87 0C 32 16,-3.1 16,-2.0 -2,-0.4 2,-0.2 -0.908 5.7-160.9-119.2 102.6 39.7 17.8 33.2 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.609 40.2 -93.0 -79.5 142.4 37.8 14.6 32.4 73 91 A H > - 0 0 21 12,-2.0 3,-1.9 10,-0.3 -1,-0.1 -0.333 34.0-129.2 -54.8 132.2 35.6 15.0 29.3 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.803 107.3 47.2 -58.6 -30.7 32.0 16.1 30.6 75 93 A S T 3 S+ 0 0 76 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.112 78.9 139.7 -99.2 21.8 30.3 13.3 28.6 76 94 A Y < - 0 0 57 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.483 38.1-158.5 -65.5 133.9 32.7 10.6 29.7 77 95 A N B >> -P 82 0D 64 5,-1.9 4,-2.7 -2,-0.2 5,-0.5 -0.942 7.9-162.2-115.6 108.2 30.7 7.4 30.3 78 96 A S T 45S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.647 88.1 55.9 -69.3 -9.7 32.6 4.9 32.5 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.866 123.9 20.2 -90.7 -35.7 30.4 2.1 31.5 80 98 A T T 45S- 0 0 67 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.660 94.3-133.1-102.3 -17.5 30.9 2.3 27.7 81 99 A L T ><5 + 0 0 31 -4,-2.7 3,-0.8 1,-0.3 2,-0.2 0.647 49.1 158.1 71.3 22.9 34.2 4.3 27.9 82 100 A N B 3 < +P 77 0D 35 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.3 -0.573 66.9 19.1 -74.3 142.7 32.8 6.6 25.2 83 101 A N T 3 S+ 0 0 23 -7,-0.2 2,-2.0 -2,-0.2 -10,-0.3 0.885 80.6 172.7 62.9 44.5 34.7 10.0 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.479 32.0 114.6 -82.2 75.5 37.6 8.4 27.3 85 103 A I - 0 0 0 -2,-2.0 -12,-2.0 -47,-0.3 2,-0.3 -0.991 38.3-178.0-144.6 148.9 39.9 11.4 27.2 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.7 -2,-0.3 2,-0.4 -0.990 16.3-145.5-145.6 145.3 41.2 13.7 29.9 87 105 A L E -MO 36 71C 0 -16,-2.0 -16,-3.1 -2,-0.3 2,-0.4 -0.911 13.1-159.5-111.9 141.8 43.5 16.8 29.8 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.1 -2,-0.4 2,-0.4 -0.990 5.3-151.7-122.6 131.1 46.0 17.4 32.6 89 107 A K E -MO 34 69C 46 -20,-2.9 -21,-3.2 -2,-0.4 -20,-1.2 -0.859 19.5-131.2-100.6 137.4 47.3 20.9 33.2 90 108 A L E - O 0 67C 1 -57,-2.8 -23,-0.2 -2,-0.4 3,-0.1 -0.615 11.3-127.2 -88.2 149.5 50.9 20.9 34.8 91 109 A K S S+ 0 0 131 -25,-2.8 2,-0.3 -2,-0.2 -1,-0.1 0.895 98.0 13.5 -62.8 -41.9 51.7 23.1 37.9 92 110 A S S S- 0 0 76 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.936 95.4 -96.7-131.1 157.1 54.7 24.6 35.9 93 111 A A - 0 0 54 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.433 40.6-118.9 -72.0 148.8 55.6 24.4 32.2 94 112 A A - 0 0 8 -62,-2.8 2,-0.7 -63,-0.1 -1,-0.1 -0.486 22.9-114.1 -82.9 158.5 58.1 21.6 31.3 95 113 A S - 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