==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-FEB-07 2EEK . COMPND 2 MOLECULE: TRYPSIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: GADUS MORHUA; . AUTHOR D.IYAGUCHI,E.TOYOTA . 220 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.9 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 31.4 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 16 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 0 0 0 1 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 . 4 3 1 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 119.8 2.3 37.9 0.5 2 17 A V B +A 170 0A 14 168,-3.1 168,-1.8 1,-0.2 123,-0.1 -0.863 360.0 4.4-103.9 133.4 4.6 40.3 -1.4 3 18 A G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.4 168,-0.1 0.679 103.3 114.9 72.1 17.8 4.5 40.6 -5.2 4 19 A G - 0 0 29 -3,-0.3 2,-0.3 166,-0.1 133,-0.2 0.120 62.7-107.4 -96.1-147.6 1.6 38.3 -5.5 5 20 A Y E -B 136 0B 116 131,-2.8 131,-3.6 -3,-0.1 2,-0.2 -0.988 36.1 -89.9-146.8 149.0 -2.0 38.9 -6.7 6 21 A E E -B 135 0B 82 -2,-0.3 129,-0.3 129,-0.2 128,-0.1 -0.429 51.9-120.4 -60.6 125.9 -5.4 39.1 -5.0 7 22 A a - 0 0 3 127,-2.5 2,-0.2 -2,-0.2 3,-0.1 -0.298 31.7 -95.1 -64.7 154.2 -6.7 35.5 -5.0 8 23 A T > - 0 0 109 1,-0.1 3,-2.4 -3,-0.1 4,-0.4 -0.556 63.5 -85.0 -67.3 135.5 -9.9 34.9 -6.8 9 24 A K T 3 S- 0 0 121 1,-0.3 -1,-0.1 -2,-0.2 44,-0.1 -0.202 107.4 -6.0 -50.3 122.7 -12.5 35.1 -4.0 10 25 A H T > S+ 0 0 34 42,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.621 91.6 125.4 66.4 18.4 -12.8 31.7 -2.2 11 26 A S T < S+ 0 0 59 -3,-2.4 2,-0.5 1,-0.3 -2,-0.1 0.716 76.0 50.9 -77.1 -20.4 -10.5 29.9 -4.7 12 27 A Q T > S+ 0 0 32 -4,-0.4 3,-2.1 1,-0.1 -1,-0.3 -0.613 73.2 167.2-112.2 65.7 -8.4 28.8 -1.8 13 28 A A T < S+ 0 0 14 -3,-0.5 88,-1.4 -2,-0.5 38,-0.4 0.606 70.5 60.9 -58.7 -13.6 -11.4 27.5 0.2 14 29 A H T 3 S+ 0 0 16 86,-0.2 15,-2.4 -3,-0.1 -1,-0.3 0.651 79.2 107.2 -87.0 -19.4 -9.1 25.7 2.6 15 30 A Q E < +J 28 0C 3 -3,-2.1 37,-0.4 13,-0.2 36,-0.4 -0.451 47.9 178.9 -66.2 125.3 -7.5 28.9 3.7 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.2 -2,-0.3 2,-0.5 -0.873 24.8-130.6-125.5 158.7 -8.5 29.9 7.2 17 32 A S E -JK 26 49C 1 32,-2.4 32,-2.7 -2,-0.3 2,-0.6 -0.942 16.0-139.4-110.8 127.1 -7.5 32.8 9.4 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.5 7,-0.9 -0.788 30.3-168.9 -87.3 121.4 -6.5 32.1 13.0 19 34 A N E +JK 23 47C 8 28,-3.2 28,-2.6 -2,-0.6 4,-0.2 -0.900 34.9 165.4-121.3 141.3 -8.0 34.8 15.2 20 37 A S S S- 0 0 46 2,-1.8 3,-0.1 -2,-0.4 -1,-0.1 -0.253 98.4 -45.6-140.8 42.6 -7.6 35.9 18.8 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.372 139.2 27.1 103.4 0.8 -9.4 39.3 18.5 22 39 A Y S S- 0 0 134 -4,-0.0 -2,-1.8 0, 0.0 2,-0.3 -0.910 101.7 -77.4-178.8 158.7 -7.4 39.9 15.3 23 40 A H E +J 19 0C 39 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.544 51.7 156.0 -70.5 129.4 -5.8 37.9 12.5 24 41 A F E + 0 0 35 -6,-2.4 2,-0.3 1,-0.4 150,-0.2 0.527 59.9 2.6-130.6 -12.9 -2.4 36.5 13.6 25 42 A b E -J 18 0C 7 -7,-0.9 -7,-3.0 150,-0.1 -1,-0.4 -0.978 63.7-118.4-166.4 162.8 -1.7 33.4 11.4 26 43 A G E +J 17 0C 2 150,-3.7 12,-0.4 -2,-0.3 2,-0.3 -0.459 28.7 179.2-101.4 177.9 -3.0 31.4 8.5 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.971 22.7-121.6-168.7 169.0 -4.1 27.8 8.4 28 45 A S E -JL 15 36C 1 8,-2.9 8,-3.4 -2,-0.3 2,-0.3 -0.987 18.5-133.2-130.4 125.8 -5.5 25.1 6.1 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.5 -2,-0.4 6,-0.3 -0.594 25.8 173.1 -73.7 128.8 -8.7 23.0 6.6 30 47 A V - 0 0 19 4,-2.8 2,-0.3 1,-0.3 75,-0.2 0.431 67.0 -5.8-116.5 -3.1 -7.9 19.3 6.1 31 48 A S S S- 0 0 33 3,-1.1 -1,-0.3 73,-0.1 3,-0.3 -0.936 86.5 -83.2-172.8 172.7 -11.3 17.9 7.1 32 49 A K S S+ 0 0 86 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.763 129.9 32.8 -61.4 -24.1 -14.6 19.1 8.6 33 50 A D S S+ 0 0 63 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.553 111.4 66.4-110.0 -10.1 -13.0 18.9 12.1 34 51 A W E - M 0 89C 25 -3,-0.3 -4,-2.8 55,-0.2 -3,-1.1 -0.934 46.6-172.1-128.6 144.6 -9.3 19.7 11.6 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.5 -2,-0.4 2,-0.4 -0.974 14.5-148.1-127.2 137.2 -7.0 22.5 10.6 36 53 A V E +LM 28 87C 1 -8,-3.4 -8,-2.9 -2,-0.4 2,-0.2 -0.890 32.9 143.5-105.5 135.0 -3.3 22.4 9.9 37 54 A S E - M 0 86C 0 49,-2.3 49,-2.0 -2,-0.4 2,-0.3 -0.726 51.8 -64.0-147.4-164.4 -1.1 25.4 10.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.756 32.5-136.3 -96.0 141.2 2.4 26.2 12.0 39 56 A A G > S+ 0 0 1 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.809 104.4 63.8 -64.7 -30.4 3.4 25.2 15.5 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 136,-0.0 0.591 95.0 62.7 -71.1 -5.3 5.0 28.6 16.1 41 58 A b G < S+ 0 0 5 -3,-1.5 -1,-0.3 -15,-0.0 -2,-0.2 0.307 81.7 142.7 -95.8 5.3 1.5 30.0 15.7 42 59 A Y < + 0 0 80 -3,-2.0 2,-0.3 -5,-0.0 -3,-0.1 -0.150 17.1 157.5 -56.1 140.0 0.4 28.1 18.8 43 60 A K - 0 0 66 1,-0.1 -2,-0.0 3,-0.0 3,-0.0 -0.920 47.0-120.8-156.0 139.6 -2.1 29.5 21.3 44 61 A S S S+ 0 0 82 -2,-0.3 2,-0.4 1,-0.1 26,-0.2 0.866 100.5 28.7 -55.8 -40.6 -4.1 27.2 23.6 45 62 A V S S+ 0 0 97 24,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.985 73.4 178.7-125.8 134.9 -7.4 28.6 22.3 46 63 A L - 0 0 2 -2,-0.4 21,-2.6 -3,-0.0 2,-0.7 -0.998 27.2-137.3-139.9 139.3 -8.0 29.9 18.8 47 64 A R E -KN 19 66C 113 -28,-2.6 -28,-3.2 -2,-0.4 2,-0.5 -0.852 26.3-151.9 -93.9 114.3 -11.0 31.2 16.8 48 65 A V E -KN 18 65C 0 17,-2.7 17,-2.6 -2,-0.7 2,-0.6 -0.779 6.1-159.6 -91.3 123.8 -10.8 29.7 13.3 49 66 A R E -KN 17 64C 41 -32,-2.7 -32,-2.4 -2,-0.5 3,-0.3 -0.906 13.5-178.0-110.7 113.5 -12.3 31.8 10.6 50 67 A L E + N 0 63C 1 13,-2.8 13,-1.8 -2,-0.6 -34,-0.1 -0.647 57.9 33.6-106.4 160.9 -13.3 30.0 7.4 51 69 A G S S+ 0 0 2 -36,-0.4 2,-0.2 48,-0.4 10,-0.2 0.710 83.5 150.4 69.6 22.6 -14.7 31.2 4.1 52 70 A E + 0 0 8 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.533 24.7 154.7 -89.4 150.3 -12.9 34.5 4.4 53 71 A H S S+ 0 0 1 1,-0.4 81,-1.9 4,-0.2 2,-0.7 0.406 82.9 31.0-130.4 -60.1 -11.6 36.8 1.6 54 72 A H B > S-P 133 0D 28 3,-0.3 3,-1.2 79,-0.2 -1,-0.4 -0.918 72.1-157.7-103.2 116.8 -11.5 40.2 3.2 55 73 A I T 3 S+ 0 0 24 77,-2.2 -1,-0.1 -2,-0.7 78,-0.1 0.536 89.9 47.0 -72.8 -5.2 -10.8 39.7 6.9 56 74 A R T 3 S+ 0 0 175 76,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.178 100.2 73.4-120.3 14.4 -12.3 43.1 7.9 57 75 A V S < S- 0 0 73 -3,-1.2 2,-0.9 0, 0.0 -3,-0.3 -0.989 79.1-127.7-133.0 124.4 -15.6 42.9 5.9 58 76 A N + 0 0 133 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.597 34.9 171.7 -71.1 105.3 -18.5 40.7 6.9 59 77 A E - 0 0 52 -2,-0.9 -1,-0.2 -5,-0.2 -4,-0.0 0.623 43.2-122.2 -94.0 -16.1 -19.1 38.9 3.6 60 78 A G S S+ 0 0 67 1,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.515 96.1 89.0 86.1 4.0 -21.7 36.4 4.7 61 79 A T + 0 0 19 -10,-0.2 2,-0.1 38,-0.1 38,-0.1 0.398 66.0 106.4-110.4 -2.2 -19.5 33.5 3.5 62 80 A E - 0 0 24 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.379 48.3-164.2 -84.6 157.5 -17.7 33.1 6.8 63 81 A Q E -N 50 0C 35 -13,-1.8 -13,-2.8 -2,-0.1 2,-0.6 -0.989 8.7-158.3-137.2 124.6 -17.9 30.5 9.6 64 82 A Y E +N 49 0C 89 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.931 19.8 169.4-110.4 111.2 -16.3 31.3 13.0 65 83 A I E -N 48 0C 8 -17,-2.6 -17,-2.7 -2,-0.6 2,-0.1 -0.979 26.2-136.0-128.3 124.4 -15.5 28.2 15.0 66 84 A S E -N 47 0C 58 -2,-0.4 25,-2.7 -19,-0.2 26,-0.3 -0.417 27.6-110.0 -75.6 150.4 -13.5 28.1 18.2 67 85 A S E -O 90 0C 9 -21,-2.6 23,-0.2 23,-0.2 3,-0.1 -0.332 21.5-169.0 -72.9 160.9 -10.8 25.4 18.7 68 86 A S E S+ 0 0 71 21,-2.7 2,-0.3 1,-0.5 22,-0.2 0.524 78.9 13.0-119.1 -29.3 -11.4 22.7 21.2 69 87 A S E -O 89 0C 49 20,-1.3 20,-3.2 -23,-0.1 2,-0.5 -0.987 59.0-164.1-152.0 137.9 -7.9 21.4 21.0 70 88 A V E -O 88 0C 14 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.993 15.7-171.0-124.7 121.4 -4.6 22.8 19.6 71 89 A I E -O 87 0C 56 16,-3.6 16,-2.9 -2,-0.5 2,-0.2 -0.941 10.0-154.0-124.3 117.2 -1.8 20.2 19.2 72 90 A R E -O 86 0C 115 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.520 41.2 -91.0 -81.4 148.8 1.8 21.0 18.2 73 91 A H > - 0 0 19 12,-2.4 3,-2.2 10,-0.3 -1,-0.1 -0.392 38.4-124.2 -57.0 134.4 3.9 18.3 16.5 74 92 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.775 109.8 47.9 -53.6 -29.9 5.6 16.4 19.4 75 93 A N T 3 S+ 0 0 111 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.166 80.8 134.4 -99.0 17.6 9.1 17.0 17.9 76 94 A Y < - 0 0 49 -3,-2.2 2,-0.4 9,-0.1 7,-0.2 -0.389 39.3-159.1 -64.7 144.2 8.5 20.7 17.3 77 95 A S B >> -Q 82 0E 41 5,-1.7 4,-1.3 1,-0.1 5,-0.9 -0.963 17.8-162.8-132.7 117.3 11.4 22.9 18.4 78 96 A S T 45S+ 0 0 96 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.476 88.9 64.7 -74.4 -1.4 11.1 26.5 19.3 79 97 A Y T 45S+ 0 0 210 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.909 123.5 8.6 -86.7 -48.9 14.9 26.9 19.0 80 98 A N T 45S- 0 0 57 -3,-0.2 -2,-0.2 2,-0.1 76,-0.1 0.273 99.7-116.9-114.9 8.7 15.4 26.1 15.3 81 99 A I T ><5 + 0 0 42 -4,-1.3 3,-0.6 1,-0.2 2,-0.2 0.875 54.1 171.8 57.0 40.1 11.7 26.0 14.3 82 100 A N B 3 < +Q 77 0E 32 -5,-0.9 -5,-1.7 1,-0.2 3,-0.2 -0.552 59.7 9.5 -81.9 146.6 12.0 22.4 13.4 83 101 A N T 3 S- 0 0 26 1,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.914 80.8-171.9 50.8 49.9 8.9 20.4 12.6 84 102 A D < + 0 0 1 -3,-0.6 2,-0.3 74,-0.2 122,-0.2 -0.454 38.1 108.6 -75.9 74.4 6.8 23.6 12.5 85 103 A I + 0 0 0 -2,-2.1 -12,-2.4 -47,-0.3 2,-0.3 -0.994 36.8 174.8-149.8 148.3 3.3 22.1 12.2 86 104 A M E -MO 37 72C 0 -49,-2.0 -49,-2.3 -2,-0.3 2,-0.4 -0.980 22.4-129.0-151.1 159.5 0.3 21.7 14.4 87 105 A L E -MO 36 71C 0 -16,-2.9 -16,-3.6 -2,-0.3 2,-0.5 -0.901 12.2-160.2-114.3 143.0 -3.3 20.6 14.3 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.2 -2,-0.4 2,-0.5 -0.987 8.7-152.0-122.3 120.2 -6.3 22.5 15.5 89 107 A K E -MO 34 69C 87 -20,-3.2 -21,-2.7 -2,-0.5 -20,-1.3 -0.815 18.7-130.2 -93.4 132.0 -9.5 20.5 16.2 90 108 A L E - 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