==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-FEB-07 2OXS . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.ALOK,M.SINHA,N.SINGH,S.SHARMA,P.KAUR,T.P.SINGH . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 67 30.0 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 . 15 6.7 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 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 0.000 360.0 360.0 360.0 122.4 -8.1 8.7 -14.7 2 17 A V B +A 171 0A 11 169,-3.1 169,-1.9 1,-0.2 123,-0.1 -0.878 360.0 6.3-100.1 131.0 -10.3 9.5 -17.6 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.719 101.8 121.8 74.8 22.7 -12.0 6.6 -19.5 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.068 55.9-112.7 -99.7-159.6 -10.8 3.9 -17.0 5 20 A Y E -B 137 0B 100 132,-2.4 132,-2.9 -3,-0.1 2,-0.4 -0.917 35.5 -88.6-136.1 158.3 -12.6 1.4 -14.8 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.588 35.9-151.2 -69.5 121.6 -13.0 0.9 -11.1 7 22 A a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.4 129,-0.1 0.891 34.6-116.7 -62.6 -42.0 -10.0 -1.2 -10.0 8 23 A G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 0.021 46.1 -53.6 102.2 142.9 -11.6 -3.0 -7.1 9 24 A A T 3 S- 0 0 47 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.240 118.0 -13.2 -59.8 125.2 -10.6 -2.7 -3.5 10 25 A N T 3 S+ 0 0 21 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.674 91.1 126.0 58.0 27.3 -7.0 -3.4 -2.8 11 26 A T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.562 75.4 50.2 -84.3 -8.4 -6.3 -4.9 -6.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.2 -0.739 74.5 174.5-125.1 75.9 -3.4 -2.4 -6.7 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.628 70.7 55.9 -72.9 -12.6 -1.7 -3.1 -3.5 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.469 81.4 111.3 -91.5 -6.6 1.4 -0.9 -4.1 15 30 A Q E < -J 28 0C 7 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.554 47.3-172.9 -73.3 131.5 -0.7 2.3 -4.8 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.5 -0.856 18.7-140.4-120.6 156.3 -0.4 5.0 -2.1 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.9 -2,-0.3 2,-0.5 -0.968 14.8-142.9-108.2 130.5 -2.2 8.2 -1.6 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.5 7,-0.9 -0.873 23.8-166.4 -93.1 127.1 -0.2 11.2 -0.4 19 34 A N E +JK 23 47C 20 28,-2.8 28,-2.7 -2,-0.5 4,-0.2 -0.958 31.4 166.8-125.4 128.4 -2.3 13.2 2.1 20 37 A S S S- 0 0 33 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.309 97.7 -47.8-126.2 47.1 -1.7 16.8 3.4 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.194 140.2 28.9 102.6 -11.2 -5.2 17.1 4.9 22 39 A Y S S- 0 0 124 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.938 102.8 -81.2-167.5 157.3 -6.6 15.8 1.6 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.545 51.4 157.9 -67.6 130.6 -5.4 13.6 -1.2 24 41 A F E + 0 0 33 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.573 58.4 2.9-130.4 -15.0 -3.1 15.5 -3.6 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.4 -0.981 62.0-121.0-164.5 158.9 -0.9 12.9 -5.4 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.420 27.2 175.4 -94.1-179.8 -0.3 9.2 -5.8 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.1 2,-0.4 -0.949 24.6-115.9-170.1 175.8 2.8 7.2 -5.2 28 45 A S E -JL 15 36C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.6 -0.997 18.5-129.4-132.1 134.9 4.1 3.6 -5.2 29 46 A L E + L 0 35C 1 -15,-2.3 74,-2.2 -2,-0.4 6,-0.2 -0.713 26.8 174.4 -81.5 119.5 5.4 1.5 -2.3 30 47 A I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.6 75,-0.2 0.603 68.0 -9.9-106.4 -14.0 8.8 0.0 -3.4 31 48 A N E > S- L 0 34C 50 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.921 91.5 -74.6-161.0-173.5 9.7 -1.6 -0.1 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.704 127.9 26.4 -65.6 -16.4 8.4 -1.5 3.5 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.419 109.2 71.1-125.9 2.9 9.8 1.9 4.2 34 51 A W E < -LM 31 89C 9 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.2 -0.981 47.7-170.4-134.0 138.0 10.0 3.8 0.9 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.7 -2,-0.4 2,-0.4 -0.938 12.2-148.6-119.7 141.0 7.6 5.4 -1.5 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.2 -0.917 30.9 147.5-107.6 139.3 8.4 6.8 -5.0 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.755 50.1 -65.9-147.4-168.7 6.4 9.6 -6.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.746 32.9-133.4 -90.5 141.0 6.8 12.6 -8.7 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.831 106.2 65.1 -58.9 -32.0 9.0 15.5 -7.6 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.650 93.2 63.0 -72.7 -7.6 6.3 18.0 -8.6 41 58 A b G < S+ 0 0 5 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.369 74.2 137.8 -87.4 0.8 4.2 16.5 -5.8 42 59 A Y < + 0 0 134 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.276 19.9 153.1 -56.3 131.7 6.8 17.7 -3.2 43 60 A K - 0 0 73 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.954 43.4-117.2-149.2 148.0 5.1 19.1 -0.1 44 61 A S S S+ 0 0 105 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.646 95.7 35.0 -78.2 152.3 6.2 19.4 3.6 45 62 A G S S+ 0 0 64 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.905 77.5 174.4 74.6 44.4 4.0 17.5 6.1 46 63 A I - 0 0 10 -3,-0.3 21,-2.4 -26,-0.1 2,-0.5 -0.686 18.9-163.0 -86.7 132.0 3.1 14.4 4.0 47 64 A Q E -KN 19 66C 53 -28,-2.7 -28,-2.8 -2,-0.4 2,-0.5 -0.973 16.5-142.5-105.9 128.5 1.1 11.5 5.5 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.6 -2,-0.5 2,-0.6 -0.805 11.1-156.8 -92.1 131.5 1.3 8.4 3.3 49 66 A R E -KN 17 64C 52 -32,-2.9 -32,-2.2 -2,-0.5 3,-0.3 -0.940 12.8-176.3-116.4 115.1 -1.9 6.3 3.1 50 67 A L E + N 0 63C 2 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.655 60.8 29.4-106.4 157.2 -1.5 2.7 2.2 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.725 84.3 155.5 68.2 23.1 -4.2 0.0 1.7 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.593 22.4 150.6 -84.1 143.1 -6.7 2.6 0.5 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.375 80.9 31.5-119.2 -77.2 -9.7 2.1 -1.8 54 72 A N S > S- 0 0 29 80,-0.2 3,-1.0 1,-0.2 -1,-0.4 -0.713 72.5-161.1 -79.9 114.0 -12.3 4.8 -0.8 55 73 A I T 3 S+ 0 0 31 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.549 87.5 51.1 -76.2 -6.3 -10.1 7.7 0.4 56 74 A N T 3 S+ 0 0 122 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.390 105.6 58.4-107.7 -0.2 -13.0 9.2 2.3 57 75 A V S < S- 0 0 78 -3,-1.0 2,-0.8 76,-0.2 -4,-0.3 -0.996 77.7-128.5-133.0 134.8 -14.1 6.2 4.3 58 76 A V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.764 33.6 171.8 -81.2 114.0 -12.1 4.1 6.7 59 77 A E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.588 50.9 -99.8-106.5 -15.3 -12.7 0.6 5.3 60 78 A G S S+ 0 0 59 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.268 103.4 76.0 121.3 -12.5 -10.3 -1.5 7.5 61 79 A N + 0 0 66 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.329 66.5 120.9-111.3 8.1 -7.2 -2.1 5.5 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.376 39.9-168.2 -75.0 148.9 -5.5 1.3 5.8 63 81 A Q E -N 50 0C 39 -13,-1.9 -13,-3.0 -2,-0.1 2,-0.6 -0.989 7.4-162.3-129.3 126.1 -2.1 2.1 7.2 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.957 17.1 170.2-110.8 118.0 -1.4 5.8 7.8 65 83 A I E -N 48 0C 14 -17,-2.6 -17,-3.0 -2,-0.6 2,-0.1 -0.994 27.8-129.0-135.7 126.5 2.3 6.6 8.2 66 84 A S E -N 47 0C 57 -2,-0.4 25,-2.7 -19,-0.3 26,-0.3 -0.387 28.0-111.0 -70.9 149.2 4.0 10.0 8.3 67 85 A A E -O 90 0C 26 -21,-2.4 23,-0.3 23,-0.2 3,-0.1 -0.606 24.2-171.3 -75.8 139.2 7.0 10.8 6.1 68 86 A S E S+ 0 0 70 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.697 72.4 6.3 -98.6 -29.4 10.3 11.2 7.9 69 87 A K E -O 89 0C 90 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.979 58.5-158.2-154.6 141.9 12.3 12.5 4.9 70 88 A S E -O 88 0C 43 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.973 7.3-166.1-121.6 139.7 11.6 13.5 1.3 71 89 A I E -O 87 0C 36 16,-3.0 16,-2.5 -2,-0.4 2,-0.3 -0.931 4.3-160.3-129.1 105.6 14.3 13.5 -1.4 72 90 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.609 42.5 -88.3 -78.1 144.0 13.6 15.2 -4.7 73 91 A H > - 0 0 23 12,-2.1 3,-1.9 10,-0.3 -1,-0.1 -0.223 35.2-123.1 -53.6 138.4 15.9 14.1 -7.5 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.768 109.1 40.3 -57.0 -26.1 19.1 16.2 -7.6 75 93 A S T 3 S+ 0 0 75 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.130 78.5 143.7-112.2 17.8 18.4 17.3 -11.2 76 94 A Y < - 0 0 57 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.378 32.3-161.9 -59.2 132.9 14.7 17.9 -11.1 77 95 A N > - 0 0 65 5,-2.1 4,-2.2 1,-0.1 5,-0.5 -0.962 8.5-163.2-120.4 111.3 13.7 20.9 -13.2 78 96 A S T 4 S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.687 87.3 56.3 -70.2 -19.0 10.3 22.2 -12.4 79 97 A N T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.894 123.8 20.9 -77.8 -41.3 10.0 24.2 -15.7 80 98 A T T 4 S- 0 0 71 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.575 96.5-130.4-101.0 -13.5 10.6 21.2 -18.0 81 99 A L >< + 0 0 34 -4,-2.2 3,-0.8 1,-0.3 2,-0.2 0.608 50.0 158.7 61.9 19.6 9.6 18.4 -15.6 82 100 A N T 3 + 0 0 37 -5,-0.5 -5,-2.1 1,-0.2 -1,-0.3 -0.511 66.4 16.8 -66.8 137.0 12.8 16.6 -16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 -2,-0.2 -10,-0.3 0.887 79.1 178.1 63.8 46.2 13.7 14.1 -13.7 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.505 36.0 111.2 -83.9 78.5 10.2 14.3 -12.1 85 103 A I + 0 0 0 -2,-2.0 -12,-2.1 -47,-0.3 2,-0.3 -0.995 37.3 176.5-153.6 142.7 10.8 11.8 -9.4 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.987 19.5-138.2-148.6 151.7 11.1 11.8 -5.6 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.0 -2,-0.3 2,-0.4 -0.902 12.9-163.6-112.3 140.5 11.6 9.4 -2.8 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.7 -2,-0.4 2,-0.5 -0.996 7.7-150.8-125.6 125.3 9.7 9.5 0.5 89 107 A K E -MO 34 69C 48 -20,-2.9 -21,-3.0 -2,-0.4 -20,-1.2 -0.843 18.1-130.7 -95.3 133.4 10.9 7.6 3.6 90 108 A L E - 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