==== 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 22-FEB-06 2G52 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR C.MUELLER-DIECKMANN,M.S.WEISS . 224 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.2 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 . 76 33.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 11 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 1 0 0 1 1 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 . 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 2 4 2 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 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.1 -0.0 5.8 4.1 2 17 A V B +A 174 0A 16 172,-2.9 172,-1.9 1,-0.2 125,-0.1 -0.889 360.0 6.2-100.4 133.6 -0.5 5.3 0.4 3 18 A G S S+ 0 0 47 123,-0.5 138,-0.2 -2,-0.4 -1,-0.2 0.710 102.4 132.1 72.9 26.0 -4.0 5.3 -1.2 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 136,-0.1 136,-0.2 -0.101 49.5-133.3-104.0-169.0 -5.6 6.3 2.1 5 20 A T E -B 139 0B 88 134,-2.7 134,-2.3 -3,-0.1 2,-0.3 -0.859 40.0 -77.8-140.0 166.0 -8.0 8.9 3.4 6 21 A S E -B 138 0B 90 -2,-0.3 132,-0.3 132,-0.2 2,-0.1 -0.581 47.4-123.6 -74.2 131.9 -8.0 11.4 6.4 7 22 A A - 0 0 10 130,-2.5 2,-0.3 -2,-0.3 -1,-0.1 -0.360 23.2-126.9 -65.8 149.5 -8.7 9.8 9.8 8 23 A S > - 0 0 69 1,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.691 36.7 -82.4 -95.0 153.8 -11.6 11.2 11.8 9 24 A A T 3 S+ 0 0 68 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.356 117.9 17.6 -52.1 132.7 -11.3 12.3 15.4 10 25 A G T 3 S+ 0 0 30 89,-0.2 -1,-0.2 2,-0.1 90,-0.0 0.458 86.1 120.7 87.6 1.7 -11.6 9.3 17.7 11 26 A D S < S+ 0 0 42 -3,-2.1 -2,-0.1 1,-0.3 3,-0.1 0.838 90.6 14.5 -67.5 -35.4 -10.9 6.7 15.0 12 27 A F S > S+ 0 0 12 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.671 70.5 179.2-137.2 78.8 -7.9 5.2 16.8 13 28 A P T 3 S+ 0 0 46 0, 0.0 88,-1.4 0, 0.0 43,-0.3 0.697 83.0 49.7 -56.9 -23.2 -8.0 6.6 20.4 14 29 A F T 3 S+ 0 0 12 86,-0.2 16,-3.1 88,-0.1 89,-0.2 0.404 82.3 117.9 -94.7 -6.1 -4.8 4.6 21.3 15 30 A I E < -J 29 0C 8 -3,-2.0 41,-0.6 14,-0.2 2,-0.3 -0.413 42.0-171.1 -70.5 140.0 -2.6 5.7 18.3 16 31 A V E -JK 28 55C 0 12,-2.3 12,-2.1 39,-0.1 2,-0.4 -0.945 18.0-136.9-126.8 146.6 0.5 7.7 19.1 17 32 A S E -JK 27 54C 7 37,-2.0 37,-2.3 -2,-0.3 2,-0.5 -0.881 16.9-153.4 -98.0 137.5 2.9 9.6 16.8 18 33 A I E -JK 26 53C 2 8,-3.0 8,-2.6 -2,-0.4 7,-0.9 -0.953 10.3-167.3-115.2 112.7 6.6 9.1 17.5 19 34 A S E -JK 24 52C 29 33,-2.4 33,-1.8 -2,-0.5 2,-0.4 -0.687 4.0-157.7 -91.5 154.4 8.9 11.8 16.5 20 35 A R E > S-JK 23 51C 58 3,-2.4 3,-1.4 -2,-0.3 31,-0.2 -0.981 76.8 -6.3-133.9 127.3 12.7 11.6 16.4 21 36 A N T 3 S- 0 0 132 29,-2.0 -1,-0.1 -2,-0.4 30,-0.1 0.887 129.3 -61.1 61.4 36.7 15.1 14.5 16.6 22 37 A G T 3 S+ 0 0 74 28,-0.6 -1,-0.3 1,-0.2 29,-0.1 0.426 120.1 103.6 67.2 7.1 11.9 16.7 16.4 23 38 A G E < S-J 20 0C 24 -3,-1.4 -3,-2.4 1,-0.1 -1,-0.2 -0.670 84.5 -84.9-114.2 158.0 11.1 15.3 13.0 24 39 A P E +J 19 0C 58 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.370 58.7 145.5 -63.1 150.8 8.5 12.7 12.0 25 40 A W E - 0 0 84 -7,-0.9 153,-0.3 1,-0.4 155,-0.3 0.460 51.8 -14.5-149.6 -58.4 9.7 9.0 12.4 26 41 A a E -J 18 0C 7 -8,-2.6 -8,-3.0 153,-0.1 -1,-0.4 -0.897 48.4-122.7-148.5 173.2 7.2 6.3 13.5 27 42 A G E -J 17 0C 2 153,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.694 25.1-175.7-114.0 178.1 3.8 5.5 14.9 28 43 A G E -J 16 0C 0 -12,-2.1 -12,-2.3 -2,-0.2 2,-0.4 -0.964 24.2-114.8-163.3 172.6 2.8 3.5 17.9 29 44 A S E -JL 15 37C 2 8,-2.5 8,-3.2 -2,-0.3 2,-0.6 -0.987 25.1-131.5-125.4 122.6 -0.1 2.0 20.0 30 45 A L E + L 0 36C 0 -16,-3.1 73,-2.8 -2,-0.4 6,-0.2 -0.677 24.2 178.8 -74.2 115.3 -0.9 3.1 23.6 31 46 A L E - 0 0 20 4,-2.7 2,-0.2 -2,-0.6 -1,-0.2 0.760 66.5 -30.3 -88.4 -34.5 -1.3 -0.1 25.7 32 47 A N E > S- L 0 35C 38 3,-1.2 3,-1.2 69,-0.1 -1,-0.3 -0.895 89.3 -57.7-168.6-171.0 -2.0 1.7 28.9 33 48 A A T 3 S+ 0 0 29 -2,-0.2 61,-2.6 1,-0.2 3,-0.0 0.743 132.2 21.9 -61.1 -28.3 -1.0 5.0 30.8 34 49 A N T 3 S+ 0 0 67 59,-0.2 56,-2.1 190,-0.2 2,-0.4 0.274 110.0 82.3-123.7 21.3 2.7 4.5 30.7 35 50 A T E < -LM 32 89C 0 -3,-1.2 -4,-2.7 54,-0.2 -3,-1.2 -0.979 44.6-175.4-143.5 127.3 3.3 2.0 27.8 36 51 A V E -LM 30 88C 0 52,-2.4 52,-3.6 -2,-0.4 2,-0.5 -0.955 15.3-147.4-123.9 134.6 3.5 2.2 24.0 37 52 A L E +LM 29 87C 1 -8,-3.2 -8,-2.5 -2,-0.4 2,-0.2 -0.890 35.1 148.3 -97.3 126.1 3.9 -0.7 21.5 38 53 A T E - M 0 86C 0 48,-2.2 48,-2.3 -2,-0.5 2,-0.3 -0.790 50.4 -71.0-139.9-177.1 6.0 0.1 18.4 39 54 A A >> - 0 0 0 -12,-0.4 3,-0.9 46,-0.3 4,-0.7 -0.669 34.2-133.2 -78.0 140.5 8.2 -1.6 15.9 40 55 A A H >> S+ 0 0 0 -2,-0.3 4,-3.4 1,-0.2 3,-1.4 0.911 107.1 60.7 -58.3 -42.4 11.7 -2.6 17.1 41 56 A H H 34 S+ 0 0 56 1,-0.3 -1,-0.2 2,-0.2 155,-0.1 0.753 95.8 63.8 -63.0 -23.6 13.3 -1.1 14.1 42 57 A a H <4 S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.820 124.6 10.1 -56.0 -37.8 11.8 2.3 15.2 43 58 A V H X< S+ 0 0 4 -3,-1.4 3,-1.6 -4,-0.7 -2,-0.2 0.623 87.8 125.7-122.3 -21.1 13.9 2.4 18.4 44 59 A S T 3< S- 0 0 50 -4,-3.4 3,-0.1 1,-0.3 42,-0.0 -0.227 90.7 -9.7 -57.8 121.0 16.5 -0.4 18.4 45 60 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -2,-0.0 2,-0.2 0.268 104.8 117.9 80.6 -10.6 20.1 1.0 19.0 46 61 A Y S < S- 0 0 93 -3,-1.6 2,-0.2 1,-0.1 -1,-0.2 -0.546 80.7 -83.8 -86.4 153.7 19.2 4.7 18.6 47 62 A A > - 0 0 66 -2,-0.2 3,-1.5 1,-0.2 4,-0.2 -0.423 34.3-148.7 -58.9 119.5 19.5 7.3 21.4 48 63 A Q G > S+ 0 0 75 1,-0.3 3,-1.4 -2,-0.2 21,-0.4 0.756 93.1 69.7 -57.3 -32.4 16.3 7.0 23.5 49 64 A S G 3 S+ 0 0 116 1,-0.3 -1,-0.3 19,-0.1 -2,-0.1 0.645 86.5 69.1 -59.7 -24.3 16.5 10.8 24.3 50 65 A G G < S+ 0 0 14 -3,-1.5 -29,-2.0 -30,-0.1 -28,-0.6 0.654 84.8 93.1 -73.9 -20.6 15.6 11.5 20.6 51 66 A F E < +K 20 0C 5 -3,-1.4 18,-0.5 -31,-0.2 2,-0.4 -0.584 45.3 175.7 -93.2 136.0 12.1 10.2 21.0 52 67 A Q E -KN 19 68C 75 -33,-1.8 -33,-2.4 -2,-0.3 2,-0.4 -0.993 15.1-151.3-128.9 139.8 8.9 11.9 21.8 53 68 A I E -KN 18 67C 0 14,-2.7 14,-2.2 -2,-0.4 2,-0.4 -0.847 7.5-167.7-103.2 140.3 5.4 10.4 21.9 54 69 A R E +KN 17 66C 47 -37,-2.3 -37,-2.0 -2,-0.4 2,-0.3 -0.996 10.2 177.8-129.6 130.1 2.2 12.3 21.2 55 70 A A E +KN 16 65C 1 10,-2.6 10,-2.3 -2,-0.4 -39,-0.1 -0.881 55.0 36.5-125.3 157.9 -1.3 10.9 22.0 56 71 A G S S+ 0 0 26 -41,-0.6 2,-0.3 -2,-0.3 8,-0.2 0.872 93.5 97.3 70.8 34.8 -4.8 12.2 21.7 57 72 A S - 0 0 36 -42,-0.3 -1,-0.2 -3,-0.2 6,-0.1 -0.968 65.2-147.9-147.6 143.6 -4.4 14.2 18.5 58 73 A L S S+ 0 0 56 -2,-0.3 79,-2.1 -3,-0.1 2,-0.4 0.718 90.6 77.0 -73.1 -23.4 -4.9 13.7 14.8 59 74 A S B -P 136 0D 12 3,-0.4 77,-0.2 77,-0.2 -42,-0.1 -0.703 67.5-155.7 -90.3 135.1 -1.8 16.0 14.4 60 75 A R S S+ 0 0 47 75,-1.9 -1,-0.1 -2,-0.4 76,-0.1 0.533 96.7 42.9 -77.4 -7.7 1.7 14.7 14.9 61 76 A T S S+ 0 0 67 74,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.651 114.6 33.5-109.2 -19.5 2.8 18.3 15.7 62 77 A S S S+ 0 0 69 73,-0.2 -3,-0.4 -8,-0.0 -1,-0.2 -0.972 88.6 16.2-152.3 146.7 0.2 19.7 17.9 63 78 A G S S+ 0 0 43 -2,-0.3 -6,-0.1 1,-0.2 -8,-0.1 0.126 77.3 61.8 77.6 169.9 -2.4 19.0 20.6 64 79 A G S S- 0 0 47 -8,-0.2 2,-0.4 -10,-0.1 -8,-0.2 -0.309 92.1 -48.9 77.4-160.8 -2.8 16.0 22.9 65 80 A I E -N 55 0C 58 -10,-2.3 -10,-2.6 -2,-0.1 2,-0.3 -0.932 49.6-153.6-118.1 136.9 -0.3 14.9 25.5 66 81 A T E -N 54 0C 46 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.794 11.3-178.0-109.3 155.5 3.4 14.4 25.0 67 82 A S E -N 53 0C 2 -14,-2.2 -14,-2.7 -2,-0.3 2,-0.2 -0.997 18.6-142.7-147.3 142.1 5.9 12.1 26.8 68 83 A S E -N 52 0C 57 -2,-0.3 23,-2.6 -16,-0.2 24,-0.5 -0.474 41.1 -94.2 -83.1 175.3 9.6 11.4 26.6 69 84 A L E -O 90 0C 15 -18,-0.5 21,-0.3 -21,-0.4 3,-0.1 -0.761 28.6-177.1 -98.0 133.5 10.8 7.8 27.2 70 85 A S E S- 0 0 66 19,-2.8 2,-0.3 -2,-0.4 20,-0.2 0.799 75.4 -2.5 -89.3 -33.2 12.0 6.3 30.4 71 86 A S E -O 89 0C 54 18,-1.1 18,-2.7 -23,-0.1 2,-0.4 -0.985 53.1-146.3-159.3 154.6 12.9 2.9 28.9 72 87 A V E -O 88 0C 42 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -1.000 10.1-173.4-127.4 121.4 13.0 0.8 25.7 73 88 A R E -O 87 0C 30 14,-2.6 14,-2.8 -2,-0.4 2,-0.3 -0.946 10.0-164.6-117.2 103.6 12.5 -3.0 25.7 74 89 A V E -O 86 0C 41 -2,-0.5 12,-0.2 12,-0.2 10,-0.1 -0.632 42.1 -86.7 -78.8 146.5 13.1 -4.5 22.3 75 90 A H > - 0 0 31 10,-2.4 3,-2.1 8,-0.3 -1,-0.1 -0.375 41.4-125.5 -52.3 127.2 11.8 -8.1 21.7 76 91 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.787 108.1 40.8 -52.3 -28.1 14.8 -10.3 23.0 77 92 A S T 3 S+ 0 0 69 6,-0.1 2,-0.2 2,-0.1 -2,-0.1 -0.015 75.3 146.7-117.4 29.5 14.8 -12.1 19.6 78 93 A Y < + 0 0 62 -3,-2.1 2,-0.3 7,-0.1 5,-0.2 -0.529 24.2 169.0 -64.8 133.6 14.3 -9.2 17.3 79 94 A S B > -Q 82 0E 83 3,-2.3 3,-2.5 -2,-0.2 2,-0.4 -0.842 51.2 -42.3-167.9 99.1 16.3 -10.3 14.4 80 95 A G T 3 S- 0 0 61 -2,-0.3 -39,-0.0 1,-0.3 -2,-0.0 -0.553 125.8 -23.4 76.4-122.1 16.5 -8.8 11.0 81 96 A N T 3 S+ 0 0 75 -2,-0.4 3,-0.4 -3,-0.1 -1,-0.3 0.282 119.5 106.2 -96.2 -1.4 12.8 -8.1 10.1 82 97 A N B < S+Q 79 0E 26 -3,-2.5 -3,-2.3 1,-0.2 3,-0.1 -0.703 80.0 8.9 -92.5 147.0 11.6 -10.7 12.6 83 98 A N S S- 0 0 19 -2,-0.3 2,-1.9 -5,-0.2 -8,-0.3 0.922 77.7-178.6 55.1 52.7 10.0 -10.1 16.0 84 99 A D + 0 0 1 -3,-0.4 2,-0.4 78,-0.2 127,-0.2 -0.404 33.4 113.8 -87.6 62.0 9.8 -6.4 15.1 85 100 A L - 0 0 0 -2,-1.9 -10,-2.4 -46,-0.3 2,-0.3 -0.985 37.8-178.8-135.0 145.1 8.2 -5.2 18.3 86 101 A A E -MO 38 74C 0 -48,-2.3 -48,-2.2 -2,-0.4 2,-0.5 -0.997 19.6-140.8-141.5 139.1 9.4 -2.9 21.2 87 102 A I E -MO 37 73C 3 -14,-2.8 -14,-2.6 -2,-0.3 2,-0.4 -0.917 19.0-159.7 -98.1 126.4 7.7 -1.8 24.4 88 103 A L E -MO 36 72C 0 -52,-3.6 -52,-2.4 -2,-0.5 2,-0.4 -0.881 5.5-149.7-105.3 132.4 8.3 1.9 25.3 89 104 A K E -MO 35 71C 42 -18,-2.7 -19,-2.8 -2,-0.4 -18,-1.1 -0.886 19.6-137.0-100.2 139.7 7.8 3.2 28.9 90 105 A L E - 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