==== 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/HYDROLASE INHIBITOR 24-OCT-91 1PPH . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR W.BODE,D.TURK . 224 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 58.9 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 30.8 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 . 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.8 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 E I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 131.0 -3.7 8.9 11.1 2 17 E V B +A 171 0A 10 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.869 360.0 6.2-104.1 131.2 -7.4 10.0 11.2 3 18 E G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.694 102.3 121.4 76.4 20.4 -8.5 12.9 9.0 4 19 E G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.055 55.9-114.4-100.8-155.8 -5.2 13.3 7.2 5 20 E Y E -B 137 0B 96 132,-2.4 132,-2.9 -3,-0.1 2,-0.4 -0.951 34.7 -88.1-139.8 155.1 -4.1 13.1 3.6 6 21 E T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.530 38.4-148.6 -59.7 118.4 -1.9 10.8 1.4 7 22 E a - 0 0 19 128,-2.4 -1,-0.2 -2,-0.4 129,-0.1 0.878 34.8-110.8 -60.4 -39.5 1.6 12.3 1.8 8 23 E G > - 0 0 27 127,-0.5 3,-1.8 4,-0.0 4,-0.3 -0.016 49.1 -59.0 104.6 137.2 3.0 11.4 -1.6 9 24 E A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.266 116.8 -12.0 -61.0 124.0 5.7 8.8 -2.1 10 25 E N T 3 S+ 0 0 36 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.626 91.3 125.9 65.0 21.4 8.9 9.6 -0.3 11 26 E T S < S+ 0 0 86 -3,-1.8 -1,-0.1 1,-0.3 -2,-0.1 0.543 75.6 49.6 -84.0 -6.6 7.9 13.2 0.6 12 27 E V S > S+ 0 0 8 -4,-0.3 3,-2.2 87,-0.1 -1,-0.3 -0.651 74.2 173.5-124.4 74.1 8.7 12.5 4.3 13 28 E P T 3 S+ 0 0 33 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.630 70.4 58.4 -74.3 -12.6 12.1 10.9 3.8 14 29 E Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.468 80.1 113.1 -84.3 -5.5 13.0 10.6 7.6 15 30 E Q E < -J 28 0C 6 -3,-2.2 36,-0.5 13,-0.2 37,-0.4 -0.557 47.8-169.2 -77.6 133.0 9.9 8.4 8.2 16 31 E V E -J 27 0C 0 11,-2.5 11,-1.2 -2,-0.3 2,-0.5 -0.887 15.6-145.1-118.3 146.5 10.7 4.8 9.2 17 32 E S E -JK 26 49C 0 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.967 13.3-145.0-105.3 128.4 8.4 1.7 9.5 18 33 E L E -JK 25 48C 0 7,-2.9 6,-2.6 -2,-0.5 7,-1.0 -0.850 27.6-172.0 -91.7 129.6 9.3 -0.8 12.3 19 34 E N E +JK 23 47C 14 28,-2.8 28,-2.6 -2,-0.5 4,-0.2 -0.955 35.4 167.4-133.0 130.6 8.5 -4.2 11.0 20 37 E S S S- 0 0 36 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.365 97.5 -48.1-129.9 54.9 8.4 -7.7 12.5 21 38 E G S S+ 0 0 72 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.501 140.2 35.0 88.1 6.1 6.6 -9.4 9.6 22 39 E Y S S- 0 0 130 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.879 101.2 -87.9-174.0 154.4 4.0 -6.5 9.7 23 40 E H E +J 19 0C 29 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.623 48.9 161.2 -69.0 127.8 4.3 -2.8 10.4 24 41 E F E + 0 0 31 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.586 59.0 0.5-123.6 -16.1 3.8 -2.1 14.2 25 42 E b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.980 61.5-125.8-163.4 159.3 5.3 1.4 14.9 26 43 E G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.424 25.7 176.2 -97.4-178.3 6.9 4.4 13.1 27 44 E G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.2 2,-0.4 -0.961 25.6-110.9-170.2 177.5 10.1 6.1 13.9 28 45 E S E -JL 15 36C 1 8,-2.3 8,-2.3 -2,-0.3 2,-0.6 -0.975 19.4-131.3-125.4 133.3 12.4 8.9 12.6 29 46 E L E + L 0 35C 0 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.706 27.2 174.0 -80.0 117.3 15.9 8.6 11.1 30 47 E I E - 0 0 20 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.576 68.1 -10.3-105.8 -12.3 18.1 11.1 12.9 31 48 E N E > S- L 0 34C 51 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.932 91.7 -75.8-160.5-170.7 21.5 10.1 11.2 32 49 E S T 3 S+ 0 0 44 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.636 127.4 27.4 -72.6 -8.5 22.6 7.2 9.0 33 50 E Q T 3 S+ 0 0 59 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.460 109.2 70.1-127.2 -1.0 22.7 4.7 11.8 34 51 E W E < -LM 31 89C 10 -3,-0.7 -4,-2.1 55,-0.2 -3,-1.2 -0.970 48.0-172.2-133.3 137.8 20.2 5.8 14.5 35 52 E V E -LM 29 88C 0 53,-2.5 53,-3.0 -2,-0.4 2,-0.4 -0.955 13.7-147.7-121.8 138.8 16.4 5.9 14.6 36 53 E V E +LM 28 87C 0 -8,-2.3 -8,-2.3 -2,-0.4 2,-0.2 -0.895 32.5 146.7-106.5 141.1 14.3 7.5 17.4 37 54 E S E - M 0 86C 0 49,-2.8 49,-2.4 -2,-0.4 2,-0.4 -0.777 49.7 -65.8-151.1-166.8 10.9 5.9 18.3 38 55 E A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.755 32.4-131.4 -98.0 143.6 8.7 5.4 21.3 39 56 E A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.845 106.9 62.9 -57.5 -35.0 9.7 3.1 24.2 40 57 E H G 3 S+ 0 0 42 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.618 92.3 67.1 -71.8 -10.3 6.3 1.4 24.2 41 58 E b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.469 73.5 130.9 -80.2 -0.2 7.3 0.2 20.6 42 59 E Y < + 0 0 128 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.314 21.7 140.8 -60.6 134.1 10.1 -2.0 22.1 43 60 E K - 0 0 58 -2,-0.1 3,-0.3 0, 0.0 2,-0.2 -0.952 49.6-108.9-156.7 156.9 10.0 -5.6 20.8 44 61 E S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.620 95.3 42.7 -84.3 157.0 12.8 -8.0 19.8 45 62 E G S S+ 0 0 66 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.912 75.2 171.8 83.2 40.4 13.3 -8.9 16.2 46 63 E I - 0 0 9 -3,-0.3 21,-2.5 21,-0.1 2,-0.5 -0.733 19.0-168.5 -90.1 125.3 12.9 -5.4 14.7 47 64 E Q E -KN 19 66C 54 -28,-2.6 -28,-2.8 -2,-0.5 2,-0.5 -0.963 17.0-143.4-104.2 130.7 13.6 -4.7 11.0 48 65 E V E -KN 18 65C 0 17,-3.2 17,-2.7 -2,-0.5 2,-0.6 -0.811 11.3-157.1 -96.0 129.2 13.7 -1.0 10.2 49 66 E R E -KN 17 64C 51 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.956 12.9-174.3-117.0 118.0 12.3 -0.2 6.8 50 67 E L E + N 0 63C 2 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.695 61.2 28.4-108.8 156.8 13.4 3.0 5.2 51 69 E G S S+ 0 0 6 -36,-0.5 2,-0.3 -38,-0.3 -1,-0.2 0.723 85.1 155.5 65.5 24.0 12.3 4.8 2.0 52 70 E E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.569 22.1 151.1 -84.2 139.4 8.8 3.3 2.3 53 71 E D S S+ 0 0 15 1,-0.4 2,-0.8 -2,-0.3 -1,-0.2 0.310 79.6 32.2-116.7 -79.2 5.6 4.5 0.8 54 72 E N S > S- 0 0 22 80,-0.2 3,-0.8 1,-0.2 -1,-0.4 -0.673 73.5-162.0 -72.8 110.6 3.3 1.5 0.1 55 73 E I T 3 S+ 0 0 30 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.585 84.1 52.1 -73.1 -7.2 4.3 -0.8 3.0 56 74 E N T 3 S+ 0 0 119 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.533 104.8 57.8-104.7 -8.8 2.8 -3.9 1.3 57 75 E V S < S- 0 0 72 -3,-0.8 2,-0.7 76,-0.2 -4,-0.2 -0.964 77.7-128.9-120.6 138.2 4.5 -3.6 -2.2 58 76 E V + 0 0 120 -2,-0.4 -3,-0.1 1,-0.2 3,-0.1 -0.779 40.3 161.7 -79.6 119.6 8.2 -3.4 -3.1 59 77 E E - 0 0 100 -2,-0.7 -1,-0.2 1,-0.2 2,-0.1 0.553 52.5 -89.3-118.2 -10.4 8.2 -0.3 -5.2 60 78 E G S S+ 0 0 35 -9,-0.0 -1,-0.2 0, 0.0 3,-0.1 -0.185 101.5 62.7 101.5 148.9 11.9 0.7 -5.3 61 79 E N S S+ 0 0 70 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.276 70.4 132.1 79.7 -2.0 13.9 2.9 -2.9 62 80 E E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.486 36.2-168.6 -74.5 147.5 13.3 0.7 0.2 63 81 E Q E -N 50 0C 36 -13,-1.7 -13,-2.9 -2,-0.1 2,-0.5 -0.985 4.5-162.0-131.4 125.3 16.2 -0.2 2.4 64 82 E F E +N 49 0C 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.942 17.0 170.3-107.8 123.4 15.5 -2.9 5.0 65 83 E I E -N 48 0C 16 -17,-2.7 -17,-3.2 -2,-0.5 2,-0.1 -0.991 29.3-124.4-135.9 131.2 18.0 -3.0 7.9 66 84 E S E -N 47 0C 53 -2,-0.4 25,-3.0 -19,-0.2 26,-0.3 -0.479 28.0-114.0 -70.8 148.6 17.9 -5.0 11.1 67 85 E A E -O 90 0C 19 -21,-2.5 23,-0.3 23,-0.2 3,-0.1 -0.619 21.8-166.7 -71.2 133.8 18.2 -3.3 14.4 68 86 E S E S- 0 0 60 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.754 74.4 -1.1 -91.4 -31.6 21.4 -4.2 16.2 69 87 E K E -O 89 0C 87 20,-1.2 20,-2.6 2,-0.0 2,-0.4 -0.989 56.7-153.5-152.1 153.1 20.2 -2.7 19.5 70 88 E S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.993 12.6-159.6-125.0 130.6 17.2 -0.9 20.9 71 89 E I E -O 87 0C 33 16,-3.3 16,-2.4 -2,-0.4 2,-0.3 -0.920 3.5-161.3-120.3 100.7 17.8 1.4 23.9 72 90 E V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.647 40.4 -94.3 -76.6 137.1 14.7 2.2 25.9 73 91 E H > - 0 0 24 12,-2.3 3,-2.0 -2,-0.3 -1,-0.1 -0.280 34.0-128.4 -51.9 131.4 15.1 5.3 28.1 74 92 E P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.777 107.4 48.1 -60.4 -25.7 16.2 3.9 31.6 75 93 E S T 3 S+ 0 0 76 2,-0.1 2,-0.2 8,-0.1 -2,-0.1 0.146 76.9 139.8-101.5 16.7 13.4 5.9 33.3 76 94 E Y < - 0 0 57 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.439 38.5-157.3 -52.8 125.8 10.6 4.9 30.9 77 95 E N B >> -P 82 0D 66 5,-2.2 4,-2.1 -2,-0.2 5,-0.6 -0.914 7.1-162.4-110.6 112.1 7.5 4.2 33.0 78 96 E S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.703 88.2 54.7 -71.7 -14.4 5.0 1.9 31.2 79 97 E N T 45S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.889 123.6 22.4 -81.5 -38.1 2.1 2.9 33.5 80 98 E T T 45S- 0 0 70 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.538 94.7-131.6 -99.8 -13.8 2.3 6.7 32.9 81 99 E L T ><5 + 0 0 6 -4,-2.1 3,-0.7 1,-0.2 2,-0.2 0.660 51.2 157.3 59.5 21.2 4.2 6.6 29.5 82 100 E N B 3 < +P 77 0D 34 -5,-0.6 -5,-2.2 1,-0.2 -1,-0.2 -0.545 63.9 19.6 -70.7 139.4 6.5 9.2 31.0 83 101 E N T 3 S+ 0 0 21 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.898 80.1 176.5 65.7 44.7 9.9 9.1 29.1 84 102 E D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.475 32.2 113.7 -85.3 79.8 8.4 7.4 26.2 85 103 E I - 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