==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUL-08 2ZPQ . COMPND 2 MOLECULE: ANIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ONCORHYNCHUS KETA; . AUTHOR D.IYAGUCHI,E.TOYOTA . 440 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 38 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 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 . 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 6 2 10 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 2 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 1 A I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 120.7 9.4 6.3 14.5 2 2 A V B +A 170 0A 18 168,-3.1 168,-2.0 1,-0.2 123,-0.1 -0.876 360.0 8.4-105.5 132.9 7.6 3.0 15.1 3 3 A G S S+ 0 0 40 121,-0.5 -1,-0.2 -2,-0.4 166,-0.1 0.620 104.0 111.2 77.8 12.8 8.3 -0.1 13.0 4 4 A G - 0 0 14 -3,-0.3 2,-0.3 166,-0.1 133,-0.2 -0.039 61.6-114.5 -99.3-155.4 11.2 1.6 11.2 5 5 A Y E -B 136 0B 72 131,-2.9 131,-4.1 -3,-0.1 2,-0.3 -0.962 36.7 -84.4-142.8 157.3 15.0 1.0 11.2 6 6 A E E -B 135 0B 92 -2,-0.3 129,-0.3 129,-0.3 128,-0.1 -0.474 51.8-123.4 -63.7 125.1 18.0 2.9 12.3 7 7 A a - 0 0 2 127,-2.6 2,-0.3 -2,-0.3 3,-0.1 -0.305 30.3 -97.1 -66.0 155.5 18.9 5.3 9.4 8 8 A K > - 0 0 167 1,-0.1 3,-2.1 2,-0.0 4,-0.3 -0.599 62.0 -87.0 -69.9 134.6 22.4 5.0 8.0 9 9 A A T 3 S+ 0 0 34 -2,-0.3 -1,-0.1 1,-0.3 44,-0.1 -0.181 109.0 1.4 -49.2 130.1 24.3 7.8 9.8 10 10 A Y T 3 S+ 0 0 59 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.631 89.4 125.1 66.2 18.0 24.0 11.1 8.0 11 11 A S S < S+ 0 0 48 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.631 78.5 45.1 -79.4 -13.7 21.8 9.6 5.2 12 12 A Q S > S+ 0 0 33 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.585 72.2 168.4-126.0 64.1 19.2 12.3 6.0 13 13 A P T 3 S+ 0 0 34 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.579 72.5 61.5 -55.7 -13.9 21.6 15.4 6.3 14 14 A H T 3 S+ 0 0 11 86,-0.2 15,-2.5 88,-0.1 2,-0.2 0.633 80.2 108.0 -87.5 -16.9 18.6 17.8 6.3 15 15 A Q E < +J 28 0C 5 -3,-2.3 37,-0.4 13,-0.2 36,-0.4 -0.432 47.2 178.3 -67.5 129.0 17.2 16.3 9.5 16 16 A V E -J 27 0C 0 11,-2.2 11,-1.0 -2,-0.2 2,-0.4 -0.878 23.7-132.7-128.9 162.6 17.6 18.5 12.6 17 17 A S E -JK 26 49C 0 32,-2.0 32,-2.9 -2,-0.3 2,-0.5 -0.952 14.0-141.5-115.8 131.7 16.6 18.3 16.3 18 18 A L E +JK 25 48C 1 7,-3.0 6,-2.1 -2,-0.4 7,-0.9 -0.843 30.4 179.4 -93.6 127.8 14.9 21.1 18.1 19 19 A N E +JK 23 47C 13 28,-2.5 28,-2.1 -2,-0.5 4,-0.2 -0.991 32.4 159.8-139.8 131.7 16.3 21.4 21.6 20 20 A S S S- 0 0 53 2,-1.4 3,-0.1 -2,-0.4 -1,-0.1 -0.171 100.6 -33.6-135.9 36.9 15.7 23.6 24.6 21 21 A G S S+ 0 0 67 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 -0.153 139.6 17.1 135.1 -33.8 17.1 21.3 27.3 22 22 A Y S S- 0 0 163 -4,-0.0 -2,-1.4 0, 0.0 2,-0.3 -0.960 96.0 -80.9-156.7 162.7 15.9 18.1 25.6 23 23 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.555 50.6 156.8 -71.0 128.1 14.8 17.0 22.1 24 24 A F E + 0 0 52 -6,-2.1 150,-0.4 1,-0.4 2,-0.3 0.534 59.2 7.2-128.7 -13.2 11.1 17.9 21.5 25 25 A b E -J 18 0C 7 -7,-0.9 -7,-3.0 148,-0.1 -1,-0.4 -0.985 61.3-123.4-162.3 165.5 10.7 18.1 17.7 26 26 A G E +J 17 0C 0 150,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.446 24.6 180.0-105.5-178.2 12.3 17.5 14.4 27 27 A G E -J 16 0C 0 -11,-1.0 -11,-2.2 -2,-0.2 2,-0.4 -0.967 22.4-120.3-171.8 168.4 12.9 19.9 11.4 28 28 A S E -JL 15 36C 1 8,-2.5 8,-3.2 -2,-0.3 2,-0.3 -0.981 18.0-134.0-130.3 126.2 14.4 20.0 7.9 29 29 A L E + L 0 35C 0 -15,-2.5 74,-2.6 -2,-0.4 6,-0.2 -0.589 23.8 175.2 -74.0 129.6 17.2 22.3 6.7 30 30 A V - 0 0 20 4,-2.4 2,-0.3 -2,-0.3 5,-0.1 0.483 68.4 -14.6-113.0 -7.4 16.2 23.9 3.4 31 31 A N S S- 0 0 39 3,-1.0 -1,-0.3 70,-0.1 63,-0.1 -0.924 89.9 -72.8-172.5-176.6 19.3 26.2 3.0 32 32 A E S S+ 0 0 84 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.698 128.5 33.2 -68.0 -17.2 22.1 27.5 5.1 33 33 A N S S+ 0 0 46 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.616 109.1 63.3-113.3 -16.6 19.8 29.8 7.1 34 34 A W E - M 0 89C 16 55,-0.2 -4,-2.4 -3,-0.1 -3,-1.0 -0.896 46.8-169.2-125.1 149.3 16.4 28.2 7.3 35 35 A V E -LM 29 88C 0 53,-2.3 53,-2.8 -2,-0.4 2,-0.5 -0.985 16.5-144.5-128.0 134.8 14.7 25.1 8.8 36 36 A V E +LM 28 87C 0 -8,-3.2 -8,-2.5 -2,-0.4 51,-0.2 -0.875 35.5 147.6-100.8 130.4 11.2 24.0 8.0 37 37 A S E - M 0 86C 0 49,-2.9 49,-2.3 -2,-0.5 2,-0.4 -0.676 49.1 -67.6-141.5-164.8 9.2 22.4 10.9 38 38 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.795 31.6-136.1 -97.4 138.0 5.7 22.1 12.3 39 39 A A G > S+ 0 0 1 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.792 104.9 63.3 -62.3 -27.8 3.9 25.1 13.7 40 40 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 44,-0.1 44,-0.0 0.592 94.9 62.5 -74.9 -4.7 2.8 23.1 16.7 41 41 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.328 80.2 142.5 -95.6 4.3 6.5 22.8 17.6 42 42 A Y < + 0 0 94 -3,-1.7 2,-0.3 -4,-0.0 -3,-0.1 -0.137 17.9 161.5 -52.4 138.4 6.7 26.6 18.0 43 43 A K - 0 0 63 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.936 46.2-120.2-154.9 137.0 8.8 28.1 20.7 44 44 A S S S+ 0 0 74 -2,-0.3 2,-0.3 1,-0.2 26,-0.1 0.820 99.1 10.6 -50.8 -38.6 10.0 31.7 20.8 45 45 A R S S+ 0 0 169 24,-0.1 2,-0.3 -3,-0.0 -1,-0.2 -0.996 72.9 168.1-144.5 141.4 13.7 30.6 20.8 46 46 A V - 0 0 7 -2,-0.3 21,-2.4 -3,-0.1 2,-0.6 -0.995 34.5-118.8-152.2 151.9 15.2 27.1 20.2 47 47 A E E -KN 19 66C 61 -28,-2.1 -28,-2.5 -2,-0.3 2,-0.5 -0.844 27.8-147.8 -95.8 122.3 18.6 25.6 19.6 48 48 A V E -KN 18 65C 0 17,-3.2 17,-2.9 -2,-0.6 2,-0.7 -0.795 7.9-156.9 -91.0 125.9 18.8 23.8 16.3 49 49 A R E -KN 17 64C 52 -32,-2.9 -32,-2.0 -2,-0.5 3,-0.3 -0.902 16.2-179.8-109.6 110.2 21.0 20.7 16.3 50 50 A L E + N 0 63C 1 13,-2.9 13,-1.9 -2,-0.7 -34,-0.1 -0.634 57.4 35.6-104.8 162.9 22.3 19.7 12.9 51 51 A G S S+ 0 0 2 -36,-0.4 2,-0.2 48,-0.4 10,-0.2 0.755 83.9 149.8 68.3 26.0 24.6 16.9 11.8 52 52 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.620 25.0 154.0 -94.5 148.9 23.1 14.6 14.4 53 53 A H S S+ 0 0 13 4,-0.2 81,-2.4 1,-0.2 2,-0.7 0.442 84.0 30.4-128.3 -60.4 22.7 10.8 14.4 54 54 A N B > S-P 133 0D 19 3,-0.3 3,-1.0 79,-0.2 -1,-0.2 -0.902 71.4-162.8-104.4 106.9 22.7 9.9 18.1 55 55 A I T 3 S+ 0 0 18 77,-2.0 -1,-0.1 -2,-0.7 78,-0.1 0.503 86.5 51.4 -69.5 -4.0 21.2 12.9 20.0 56 56 A K T 3 S+ 0 0 141 76,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.594 103.8 62.0-106.0 -14.3 22.6 11.8 23.3 57 57 A V S < S- 0 0 81 -3,-1.0 2,-0.4 75,-0.2 -3,-0.3 -0.947 80.8-126.4-118.5 130.5 26.2 11.2 22.3 58 58 A T + 0 0 127 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.607 31.7 173.4 -73.4 123.9 28.6 13.9 20.9 59 59 A E - 0 0 64 -2,-0.4 -1,-0.2 -5,-0.1 -7,-0.0 0.624 45.9-114.2-107.9 -19.9 29.9 12.6 17.6 60 60 A G S S+ 0 0 68 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.455 99.6 88.2 96.9 2.8 31.9 15.5 16.2 61 61 A S + 0 0 6 -10,-0.2 2,-0.1 38,-0.1 38,-0.1 0.424 66.5 106.8-109.5 -3.3 29.6 16.0 13.3 62 62 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.395 46.1-167.4 -85.7 156.1 27.2 18.3 15.0 63 63 A Q E -N 50 0C 35 -13,-1.9 -13,-2.9 -2,-0.1 2,-0.6 -0.982 9.8-159.5-137.0 119.7 26.5 22.0 14.8 64 64 A F E +N 49 0C 88 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.927 18.1 173.6-105.1 118.1 24.4 23.6 17.5 65 65 A I E -N 48 0C 12 -17,-2.9 -17,-3.2 -2,-0.6 2,-0.1 -0.987 25.5-133.3-131.4 127.4 22.9 26.9 16.3 66 66 A S E -N 47 0C 63 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.456 29.0-111.6 -76.3 147.6 20.4 29.1 18.2 67 67 A S E -O 90 0C 14 -21,-2.4 23,-0.2 23,-0.2 3,-0.1 -0.380 22.5-171.0 -75.2 156.2 17.4 30.4 16.3 68 68 A S E S+ 0 0 54 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.537 78.1 19.6-117.1 -23.7 17.0 34.1 15.6 69 69 A R E -O 89 0C 162 20,-1.2 20,-2.7 2,-0.0 2,-0.5 -0.993 56.5-168.1-148.9 139.3 13.4 33.9 14.3 70 70 A V E -O 88 0C 20 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.948 17.0-174.1-130.8 108.9 10.6 31.3 14.6 71 71 A I E -O 87 0C 59 16,-3.6 16,-2.9 -2,-0.5 2,-0.1 -0.893 8.8-161.4-115.9 110.4 7.8 32.0 12.2 72 72 A R E -O 86 0C 115 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.483 41.5 -90.6 -80.1 153.4 4.5 30.0 12.2 73 73 A H > - 0 0 17 12,-2.0 3,-2.1 10,-0.3 -1,-0.1 -0.443 35.9-125.3 -63.1 136.8 2.3 30.1 9.2 74 74 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.732 109.3 50.1 -56.9 -24.5 -0.1 33.0 9.6 75 75 A N T 3 S+ 0 0 105 8,-0.1 7,-0.1 2,-0.1 -2,-0.1 0.239 77.1 140.0 -99.8 13.2 -3.1 30.7 9.0 76 76 A Y < - 0 0 50 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.355 34.3-164.5 -58.6 131.7 -2.0 28.0 11.6 77 77 A S B > -Q 82 0E 36 5,-2.2 5,-2.2 1,-0.1 3,-0.4 -0.953 6.0-166.4-123.6 108.6 -5.0 26.7 13.5 78 78 A S T 5S+ 0 0 86 -2,-0.5 3,-0.5 3,-0.2 -1,-0.1 0.814 79.0 62.4 -67.4 -34.6 -4.1 24.8 16.6 79 79 A Y T 5S+ 0 0 196 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.863 122.9 21.9 -62.7 -35.0 -7.4 23.1 17.5 80 80 A N T 5S- 0 0 39 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.215 105.1-121.9-114.3 12.4 -7.4 21.1 14.3 81 81 A I T > 5 + 0 0 42 -3,-0.5 3,-0.5 -4,-0.3 2,-0.3 0.893 52.6 168.5 47.4 49.0 -3.7 21.4 13.6 82 82 A D B 3 < +Q 77 0E 23 -5,-2.2 -5,-2.2 1,-0.2 3,-0.2 -0.685 58.1 11.4 -94.5 145.6 -4.3 23.0 10.3 83 83 A N T 3 S- 0 0 18 -2,-0.3 2,-2.1 -7,-0.2 -10,-0.3 0.942 80.1-178.7 53.3 49.0 -1.5 24.7 8.2 84 84 A D < + 0 0 2 -3,-0.5 2,-0.3 74,-0.2 122,-0.2 -0.436 33.2 115.9 -81.0 66.8 0.9 23.1 10.6 85 85 A I + 0 0 0 -2,-2.1 -12,-2.0 -47,-0.3 2,-0.3 -0.976 36.3 177.3-136.4 150.2 4.1 24.5 9.1 86 86 A M E -MO 37 72C 1 -49,-2.3 -49,-2.9 -2,-0.3 2,-0.4 -0.992 20.6-136.7-152.5 152.2 6.8 26.8 10.4 87 87 A L E -MO 36 71C 0 -16,-2.9 -16,-3.6 -2,-0.3 2,-0.5 -0.949 12.8-164.2-116.0 135.1 10.1 28.4 9.5 88 88 A I E -MO 35 70C 0 -53,-2.8 -53,-2.3 -2,-0.4 2,-0.5 -0.977 8.4-152.2-119.3 122.9 13.1 28.8 11.8 89 89 A K E -MO 34 69C 81 -20,-2.7 -21,-2.8 -2,-0.5 -20,-1.2 -0.821 17.3-130.6 -96.1 130.6 15.9 31.2 10.9 90 90 A L E - 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