==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-MAY-10 3MYW . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR R.A.ENGH,W.BODE,R.HUBER,G.LIN,C.CHI . 501 3 19 19 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 52 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 6.4 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 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 8 5 6 12 4 2 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 2 0 0 0 0 2 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 0 0, 0.0 3,-0.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 127.0 9.3 75.4 148.0 2 17 A V B 3 -A 171 0A 8 169,-2.6 169,-1.7 1,-0.3 123,-0.1 -0.758 360.0 -6.1 -90.3 124.5 11.6 77.0 145.4 3 18 A G T 3 S+ 0 0 48 121,-0.6 -1,-0.3 -2,-0.5 2,-0.2 0.801 100.7 122.5 68.8 39.0 11.2 80.7 145.3 4 19 A G < - 0 0 29 -3,-0.7 2,-0.3 134,-0.1 134,-0.2 -0.461 57.7-100.0-112.8-168.6 8.3 81.2 147.8 5 20 A Y E -B 137 0B 93 132,-2.2 132,-3.1 -2,-0.2 2,-0.2 -0.768 35.8 -92.7-112.5 159.5 8.0 83.2 151.1 6 21 A T E -B 136 0B 80 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.534 44.7-131.0 -63.5 128.8 8.2 82.4 154.8 7 22 A a - 0 0 2 128,-2.8 -1,-0.1 -2,-0.2 129,-0.1 0.699 28.6-128.7 -62.8 -26.2 4.6 81.8 155.7 8 23 A A > - 0 0 62 127,-0.2 3,-1.3 3,-0.1 4,-0.4 0.341 43.8 -50.9 76.4 141.9 4.0 83.9 158.8 9 24 A A T 3 S- 0 0 73 1,-0.2 44,-0.0 2,-0.1 90,-0.0 -0.071 117.4 -4.3 -53.5 138.8 2.5 82.7 162.0 10 25 A N T 3 S+ 0 0 85 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.759 95.4 119.9 50.5 32.1 -0.8 80.8 162.1 11 26 A S S < S+ 0 0 52 -3,-1.3 -2,-0.1 1,-0.2 -1,-0.1 0.839 78.1 31.4 -90.7 -38.7 -1.2 81.3 158.4 12 27 A V > + 0 0 8 -4,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.489 69.1 161.8-120.1 68.5 -1.3 77.7 157.3 13 28 A P T 3 S+ 0 0 27 0, 0.0 88,-1.8 0, 0.0 38,-0.3 0.623 71.6 58.2 -68.0 -16.0 -3.0 75.8 160.3 14 29 A Y T 3 S+ 0 0 26 86,-0.2 15,-2.0 88,-0.1 89,-0.1 0.552 77.7 116.7 -89.0 -8.6 -3.9 72.7 158.4 15 30 A Q E < -M 28 0C 6 -3,-1.6 36,-0.6 13,-0.2 37,-0.4 -0.428 44.9-174.0 -64.5 133.7 -0.4 72.0 157.4 16 31 A V E -MN 27 50C 0 11,-2.8 11,-1.9 34,-0.1 2,-0.4 -0.910 15.5-146.6-126.0 150.8 0.8 68.8 158.9 17 32 A S E -MN 26 49C 2 32,-1.9 32,-2.1 -2,-0.3 2,-0.5 -0.984 12.5-140.9-116.9 127.8 4.4 67.3 158.7 18 33 A L E -MN 25 48C 0 7,-2.9 6,-2.6 -2,-0.4 7,-1.2 -0.811 26.2-172.5 -92.4 128.6 4.8 63.5 158.5 19 34 A N E +MN 23 47C 13 28,-2.5 28,-2.1 -2,-0.5 4,-0.2 -0.943 30.3 159.7-122.7 134.5 7.7 62.4 160.7 20 37 A S S S- 0 0 56 2,-1.7 2,-0.3 -2,-0.4 3,-0.1 -0.462 101.0 -31.0-145.0 65.1 9.5 59.0 161.1 21 38 A G S S+ 0 0 70 26,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.624 141.1 2.1 116.0 -57.0 12.8 60.2 162.6 22 39 A S S S- 0 0 81 -2,-0.3 -2,-1.7 -4,-0.1 2,-0.1 -0.868 100.7 -60.8-151.8 168.5 12.4 63.3 160.6 23 40 A H E +M 19 0C 17 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.385 52.8 157.4 -51.5 122.0 10.2 65.2 158.3 24 41 A F E - 0 0 9 -6,-2.6 238,-1.5 1,-0.5 2,-0.3 0.501 66.1 -8.2-124.0 -13.8 9.8 63.1 155.1 25 42 A b E -M 18 0C 0 -7,-1.2 -7,-2.9 236,-0.2 -1,-0.5 -0.947 63.5-129.5-164.1 176.0 6.5 64.5 153.7 26 43 A G E +M 17 0C 1 151,-2.8 12,-0.4 -9,-0.3 2,-0.3 -0.578 21.0 179.4-124.6-171.8 3.7 66.9 154.7 27 44 A G E -M 16 0C 0 -11,-1.9 -11,-2.8 -2,-0.2 2,-0.4 -0.971 25.6-101.0-174.4 179.0 -0.1 66.6 154.7 28 45 A S E -MO 15 36C 1 8,-2.3 8,-2.2 -2,-0.3 2,-0.6 -0.940 22.4-127.1-120.9 139.5 -3.3 68.5 155.6 29 46 A L E + O 0 35C 0 -15,-2.0 74,-2.3 -2,-0.4 6,-0.2 -0.764 30.3 172.9 -79.9 120.0 -5.7 68.3 158.6 30 47 A I E - 0 0 15 4,-2.3 2,-0.3 -2,-0.6 75,-0.2 0.608 68.0 -10.1-105.7 -15.9 -9.2 67.7 157.2 31 48 A N E > S- O 0 34C 51 3,-0.9 3,-0.7 70,-0.1 -1,-0.4 -0.918 91.4 -80.0-161.3 178.8 -11.1 67.1 160.4 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.720 126.4 29.8 -65.1 -20.1 -9.9 66.5 164.0 33 50 A Q T 3 S+ 0 0 65 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.527 108.7 65.4-114.7 -5.3 -9.0 62.9 163.4 34 51 A W E < -OP 31 89C 8 -3,-0.7 -4,-2.3 55,-0.2 -3,-0.9 -0.959 51.7-167.8-130.6 128.7 -8.0 62.4 159.7 35 52 A V E -OP 29 88C 0 53,-2.9 53,-2.7 -2,-0.4 2,-0.4 -0.904 13.3-146.6-107.7 140.0 -5.1 63.8 157.7 36 53 A V E +OP 28 87C 1 -8,-2.2 -8,-2.3 -2,-0.4 51,-0.2 -0.897 32.9 147.9-106.5 132.1 -4.9 63.6 153.9 37 54 A S E - P 0 86C 0 49,-2.6 49,-1.5 -2,-0.4 2,-0.4 -0.611 50.0 -69.7-138.0-155.6 -1.4 63.1 152.3 38 55 A A > - 0 0 0 -12,-0.4 3,-2.5 47,-0.3 47,-0.3 -0.900 32.7-129.4-111.2 139.4 0.0 61.4 149.2 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.796 106.7 61.8 -57.1 -30.8 0.2 57.6 148.8 40 57 A H G 3 S+ 0 0 12 1,-0.2 -1,-0.3 41,-0.1 221,-0.1 0.460 92.4 68.8 -73.1 -0.3 3.8 57.6 147.8 41 58 A b G < S+ 0 0 3 -3,-2.5 -1,-0.2 220,-0.1 -2,-0.2 0.344 75.4 135.5 -95.8 5.6 4.5 59.0 151.3 42 59 A Y < + 0 0 119 -3,-1.5 2,-0.3 -4,-0.1 -3,-0.0 -0.333 18.5 154.3 -63.9 134.2 3.5 55.7 153.0 43 60 A K - 0 0 79 -2,-0.1 2,-0.4 0, 0.0 3,-0.1 -0.893 49.9-115.7-138.3 155.7 5.5 54.2 155.8 44 61 A S S S+ 0 0 75 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.861 103.0 36.9 -79.3 147.1 4.3 51.9 158.5 45 62 A R S S+ 0 0 211 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.853 70.4 167.3 67.8 102.2 4.9 54.3 161.5 46 63 A I - 0 0 5 21,-0.2 21,-2.0 -3,-0.1 2,-0.5 -0.975 22.3-153.1-139.3 140.6 4.3 57.9 160.9 47 64 A Q E -NQ 19 66C 53 -28,-2.1 -28,-2.5 -2,-0.4 2,-0.5 -0.993 16.0-140.7-113.6 127.1 4.1 60.5 163.6 48 65 A V E -NQ 18 65C 0 17,-2.8 17,-2.1 -2,-0.5 2,-0.6 -0.771 11.2-160.7 -89.3 127.4 1.9 63.5 162.7 49 66 A R E -NQ 17 64C 48 -32,-2.1 -32,-1.9 -2,-0.5 3,-0.3 -0.965 14.4-175.4-113.8 115.2 3.3 66.9 163.9 50 67 A L E +NQ 16 63C 2 13,-2.8 13,-1.8 -2,-0.6 -34,-0.1 -0.741 59.9 29.7-103.3 154.2 0.6 69.5 163.9 51 69 A G S S+ 0 0 6 -36,-0.6 2,-0.3 -38,-0.3 -1,-0.2 0.913 83.6 155.3 62.7 36.7 0.9 73.3 164.7 52 70 A E + 0 0 14 -37,-0.4 -1,-0.2 -3,-0.3 3,-0.2 -0.783 16.5 147.9 -94.9 146.7 4.4 73.4 163.4 53 71 A H S S+ 0 0 26 1,-0.6 2,-0.9 -2,-0.3 82,-0.7 0.341 78.8 31.0-138.4 -71.5 6.1 76.4 162.1 54 72 A N B S-S 134 0D 31 80,-0.2 -1,-0.6 1,-0.2 3,-0.2 -0.837 74.5-169.1 -83.7 110.2 9.8 76.3 162.8 55 73 A I S S+ 0 0 42 78,-2.4 -1,-0.2 -2,-0.9 79,-0.1 0.618 77.4 63.2 -79.2 -5.0 10.1 72.4 162.6 56 74 A D S S+ 0 0 113 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.789 102.9 42.8 -88.1 -28.9 13.6 72.6 164.0 57 75 A V S S- 0 0 78 -3,-0.2 2,-0.5 76,-0.1 -4,-0.2 -0.900 83.0-118.1-117.7 148.5 12.9 74.0 167.5 58 76 A L - 0 0 126 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.0 -0.694 26.2-178.1 -83.4 128.1 10.0 73.1 169.9 59 77 A E - 0 0 80 -2,-0.5 2,-0.3 -5,-0.1 -1,-0.1 -0.122 42.7-118.5-114.7 25.0 7.9 76.2 170.5 60 78 A G S S+ 0 0 76 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 0.364 96.7 90.1 50.8 -1.1 5.5 74.5 172.9 61 79 A N + 0 0 69 -2,-0.3 2,-0.3 -10,-0.1 -1,-0.2 0.352 65.5 106.1-106.3 18.3 2.4 75.0 170.7 62 80 A E - 0 0 26 -13,-0.0 2,-0.5 2,-0.0 -11,-0.2 -0.633 54.7-150.6-103.6 154.6 2.7 71.7 168.8 63 81 A Q E -Q 50 0C 29 -13,-1.8 -13,-2.8 -2,-0.3 2,-0.5 -0.962 6.8-166.9-120.6 122.8 0.8 68.5 168.9 64 82 A F E +Q 49 0C 76 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.954 16.1 170.3-109.0 117.8 2.5 65.3 168.0 65 83 A I E -Q 48 0C 20 -17,-2.1 -17,-2.8 -2,-0.5 2,-0.2 -0.978 30.4-121.8-129.2 134.6 -0.1 62.4 167.5 66 84 A N E -Q 47 0C 101 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.481 27.9-113.7 -72.1 147.4 0.7 58.9 166.1 67 85 A A E -R 90 0C 17 -21,-2.0 23,-0.3 23,-0.2 -21,-0.2 -0.612 29.6-176.8 -72.7 135.5 -1.1 57.6 163.1 68 86 A A E S+ 0 0 62 21,-3.7 2,-0.4 1,-0.4 22,-0.2 0.733 73.5 29.7-101.1 -40.7 -3.3 54.7 163.9 69 87 A K E -R 89 0C 78 20,-2.0 20,-2.6 2,-0.0 2,-0.5 -0.983 59.9-175.7-119.4 130.1 -4.5 53.9 160.4 70 88 A I E +R 88 0C 36 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.963 13.9 176.9-117.8 111.0 -2.5 54.6 157.2 71 89 A I E -R 87 0C 48 16,-2.7 16,-2.3 -2,-0.5 2,-0.2 -0.938 14.1-156.7-119.2 109.2 -4.7 53.7 154.2 72 90 A T E -R 86 0C 49 -2,-0.5 14,-0.3 14,-0.2 12,-0.1 -0.571 41.8 -87.4 -79.5 149.5 -3.4 54.4 150.6 73 91 A H > - 0 0 15 12,-2.7 3,-2.7 10,-0.3 -1,-0.1 -0.354 41.1-125.7 -58.9 130.6 -5.9 54.8 147.7 74 92 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.767 107.3 45.3 -50.4 -33.5 -6.7 51.3 146.5 75 93 A N T 3 S+ 0 0 113 2,-0.1 -2,-0.1 8,-0.1 7,-0.1 0.257 80.0 140.9 -99.3 15.2 -5.9 52.0 142.9 76 94 A F < - 0 0 48 -3,-2.7 2,-0.6 7,-0.1 7,-0.2 -0.330 39.7-152.2 -58.1 132.3 -2.7 53.9 143.7 77 95 A N > - 0 0 36 5,-2.4 4,-1.4 1,-0.1 5,-0.3 -0.901 10.2-161.1-112.7 115.5 0.0 53.1 141.1 78 96 A G T 4 S+ 0 0 27 -2,-0.6 -1,-0.1 1,-0.2 356,-0.1 0.791 91.4 45.5 -61.6 -26.7 3.6 53.4 142.3 79 97 A N T 4 S+ 0 0 34 1,-0.1 -1,-0.2 355,-0.1 188,-0.1 0.895 126.3 24.8 -87.8 -42.5 5.0 53.6 138.7 80 98 A T T 4 S- 0 0 38 354,-0.2 77,-0.2 2,-0.1 -2,-0.2 0.365 97.3-132.3 -97.1 0.6 2.6 56.1 137.0 81 99 A L >< + 0 0 10 -4,-1.4 3,-0.7 1,-0.2 -3,-0.2 0.671 48.1 159.8 50.0 25.8 1.7 57.8 140.4 82 100 A D T 3 + 0 0 36 -5,-0.3 -5,-2.4 1,-0.2 -1,-0.2 -0.420 62.8 15.1 -72.8 151.7 -2.0 57.6 139.6 83 101 A N T 3 S+ 0 0 21 -7,-0.2 2,-1.8 1,-0.2 -10,-0.3 0.904 78.3 175.6 47.7 50.4 -4.4 57.9 142.6 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.561 30.9 117.1 -83.1 78.6 -1.6 59.2 144.7 85 103 A I - 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