==== 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 28-SEP-00 1GDQ . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR W.R.RYPNIEWSKI,P.OESTERGAARD,M.NOERREGAARD-MADSEN,M.DAUTER,K . 225 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 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 . 75 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.7 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 3 3 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.2 -2.7 8.4 -7.8 2 17 A V B +A 174 0A 21 172,-2.7 172,-1.8 1,-0.2 125,-0.1 -0.879 360.0 8.2-101.8 130.6 -3.2 9.0 -11.5 3 18 A G S S+ 0 0 46 -2,-0.4 -1,-0.2 123,-0.3 2,-0.0 0.703 100.7 138.7 77.1 21.4 -6.8 9.5 -12.7 4 19 A G - 0 0 29 -3,-0.3 2,-0.3 136,-0.1 136,-0.2 -0.191 44.7-138.3 -97.5-177.8 -8.2 9.7 -9.2 5 20 A T E -B 139 0B 89 134,-2.5 134,-2.5 -2,-0.0 2,-0.2 -0.901 40.8 -77.9-132.3 162.5 -10.8 11.6 -7.2 6 21 A S E -B 138 0B 86 -2,-0.3 132,-0.3 132,-0.2 2,-0.2 -0.437 44.2-126.5 -65.9 133.9 -10.7 13.0 -3.7 7 22 A A - 0 0 8 130,-2.5 2,-0.2 -2,-0.2 -1,-0.1 -0.514 23.8-128.1 -71.2 146.1 -11.3 10.5 -1.0 8 23 A S > - 0 0 72 -2,-0.2 3,-2.3 1,-0.1 4,-0.3 -0.581 36.6 -81.8 -89.4 157.4 -14.1 11.3 1.5 9 24 A A T 3 S+ 0 0 63 1,-0.3 -1,-0.1 -2,-0.2 48,-0.0 -0.357 119.3 18.2 -55.1 131.4 -13.7 11.4 5.3 10 25 A G T 3 S+ 0 0 34 89,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.418 85.7 121.0 84.7 -1.4 -14.0 7.8 6.5 11 26 A D S < S+ 0 0 39 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.846 93.2 12.4 -58.7 -40.1 -13.4 6.2 3.1 12 27 A F S > S- 0 0 12 -4,-0.3 3,-2.2 87,-0.1 -1,-0.3 -0.738 72.4-178.3-138.3 79.6 -10.4 4.2 4.5 13 28 A P T 3 S+ 0 0 47 0, 0.0 88,-1.5 0, 0.0 43,-0.3 0.765 83.2 50.0 -58.7 -24.0 -10.4 4.6 8.3 14 29 A F T 3 S+ 0 0 9 86,-0.2 16,-3.1 88,-0.1 89,-0.2 0.425 81.0 119.8 -92.9 -2.5 -7.2 2.6 8.6 15 30 A I E < -J 29 0C 9 -3,-2.2 41,-0.7 14,-0.2 2,-0.4 -0.438 40.0-172.5 -72.7 139.6 -5.1 4.5 6.0 16 31 A V E -JK 28 55C 0 12,-2.5 12,-1.9 -2,-0.2 2,-0.3 -0.955 19.6-134.6-122.1 147.5 -1.9 6.2 7.3 17 32 A S E -JK 27 54C 1 37,-2.2 37,-2.0 -2,-0.4 2,-0.6 -0.772 16.2-151.4 -90.5 144.0 0.5 8.5 5.6 18 33 A I E -JK 26 53C 0 8,-2.9 8,-2.4 -2,-0.3 7,-0.5 -0.945 13.2-169.5-118.7 102.1 4.2 7.7 6.1 19 34 A S E -JK 24 52C 5 33,-2.8 33,-1.9 -2,-0.6 2,-0.4 -0.624 3.9-159.7 -85.4 153.4 6.4 10.7 5.9 20 35 A R E > S-JK 23 51C 60 3,-2.4 3,-2.1 31,-0.2 31,-0.2 -0.989 74.9 -6.9-136.0 130.4 10.2 10.4 5.8 21 37 A N T 3 S- 0 0 131 29,-2.4 30,-0.1 -2,-0.4 -1,-0.1 0.837 130.1 -59.3 53.9 32.3 12.6 13.2 6.7 22 38 A G T 3 S+ 0 0 64 28,-0.6 -1,-0.3 1,-0.3 29,-0.1 0.385 119.4 96.8 81.4 -2.8 9.5 15.5 7.0 23 39 A G E < S-J 20 0C 21 -3,-2.1 -3,-2.4 1,-0.1 -1,-0.3 -0.629 85.4 -74.4-114.7 170.8 8.4 14.9 3.4 24 40 A P E +J 19 0C 60 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.286 60.6 141.6 -62.6 147.4 6.0 12.7 1.5 25 41 A W E - 0 0 80 -7,-0.5 155,-0.3 1,-0.4 153,-0.3 0.370 54.3 -22.3-150.3 -64.0 7.2 9.1 1.1 26 42 A a E -J 18 0C 7 -8,-2.4 -8,-2.9 153,-0.1 -1,-0.4 -0.868 47.3-122.1-148.1 179.5 4.7 6.2 1.4 27 43 A G E +J 17 0C 2 153,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.714 26.0 178.5-118.4 178.0 1.3 5.1 2.7 28 44 A G E -J 16 0C 0 -12,-1.9 -12,-2.5 -2,-0.2 2,-0.4 -0.951 25.8-110.2-166.5-179.7 0.3 2.3 5.0 29 45 A S E -JL 15 37C 3 8,-2.3 8,-2.9 -2,-0.3 2,-0.6 -0.993 23.4-130.0-131.3 127.0 -2.6 0.5 6.8 30 46 A L E + L 0 36C 0 -16,-3.1 73,-2.4 -2,-0.4 6,-0.2 -0.654 25.6 177.5 -78.8 116.4 -3.3 0.6 10.5 31 47 A L E - 0 0 20 4,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.742 65.8 -22.1 -89.1 -30.1 -3.8 -3.0 11.6 32 48 A N E > S- L 0 35C 39 3,-1.1 3,-1.3 69,-0.1 -1,-0.3 -0.894 91.2 -64.7-168.5-178.5 -4.3 -2.4 15.4 33 49 A A T 3 S+ 0 0 31 1,-0.3 61,-2.5 -2,-0.3 59,-0.1 0.746 131.0 24.1 -62.1 -24.8 -3.4 0.3 17.8 34 50 A N T 3 S+ 0 0 59 59,-0.2 56,-2.5 190,-0.2 2,-0.4 0.236 109.1 81.9-123.5 21.2 0.4 -0.2 17.6 35 51 A T E < -LM 32 89C 0 -3,-1.3 -4,-2.5 54,-0.2 -3,-1.1 -0.985 45.0-176.2-140.3 131.1 0.9 -1.7 14.1 36 52 A V E -LM 30 88C 0 52,-2.4 52,-3.0 -2,-0.4 2,-0.5 -0.962 15.3-148.0-120.4 140.0 1.1 -0.5 10.5 37 53 A L E +LM 29 87C 2 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.2 -0.906 34.1 148.5-100.5 130.3 1.4 -2.6 7.4 38 54 A T E - M 0 86C 0 48,-2.4 48,-2.4 -2,-0.5 2,-0.3 -0.791 52.0 -69.5-143.1-176.5 3.4 -1.1 4.5 39 55 A A >> - 0 0 0 -12,-0.4 3,-1.2 46,-0.3 4,-0.5 -0.652 37.6-131.9 -77.7 140.6 5.6 -2.1 1.6 40 56 A A H >> S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.3 3,-1.6 0.881 105.8 61.0 -55.9 -39.7 9.0 -3.4 2.6 41 57 A H H 34 S+ 0 0 50 1,-0.3 -1,-0.3 2,-0.2 44,-0.0 0.734 94.2 64.2 -68.5 -19.0 10.7 -1.2 0.1 42 58 A a H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.758 124.3 11.2 -64.7 -28.5 9.3 1.9 1.9 43 59 A V H X< S+ 0 0 3 -3,-1.6 3,-1.7 -4,-0.5 -2,-0.2 0.598 84.3 128.3-127.0 -22.9 11.4 1.1 5.1 44 59AA S T 3< S- 0 0 52 -4,-3.0 3,-0.1 1,-0.3 29,-0.0 -0.254 91.9 -13.2 -61.0 123.0 14.0 -1.7 4.5 45 59BA G T 3 S+ 0 0 86 1,-0.2 -1,-0.3 -2,-0.0 2,-0.2 0.310 102.3 124.8 75.4 -7.5 17.4 -0.6 5.8 46 59CA Y S < S- 0 0 88 -3,-1.7 2,-0.3 1,-0.1 -1,-0.2 -0.482 78.3 -86.3 -78.6 157.8 16.5 3.1 6.1 47 59DA A > - 0 0 67 1,-0.2 3,-1.6 -2,-0.2 4,-0.2 -0.431 36.6-147.0 -64.1 122.9 17.0 5.0 9.4 48 60 A Q G > S+ 0 0 77 -2,-0.3 3,-1.6 1,-0.3 21,-0.4 0.804 91.8 68.2 -65.5 -29.8 13.8 4.3 11.4 49 61 A S G 3 S+ 0 0 114 1,-0.3 -1,-0.3 19,-0.1 -2,-0.1 0.672 86.8 70.4 -63.8 -18.8 13.9 7.6 13.1 50 62 A G G < S+ 0 0 15 -3,-1.6 -29,-2.4 -30,-0.1 -28,-0.6 0.629 84.8 87.5 -71.5 -13.5 13.2 9.3 9.7 51 63 A F E < -K 20 0C 5 -3,-1.6 18,-0.5 -31,-0.2 2,-0.4 -0.670 48.7-179.0 -98.3 143.7 9.6 8.1 9.6 52 64 A Q E -K 19 0C 83 -33,-1.9 -33,-2.8 -2,-0.3 2,-0.3 -0.991 13.4-152.9-134.9 129.7 6.4 9.6 11.0 53 65 A I E -KN 18 67C 0 14,-3.1 14,-2.1 -2,-0.4 2,-0.4 -0.772 7.7-167.3 -96.1 143.8 3.0 7.9 10.6 54 65AA R E -KN 17 66C 35 -37,-2.0 -37,-2.2 -2,-0.3 2,-0.3 -0.996 6.5-177.5-132.4 130.3 -0.3 9.9 10.6 55 66 A A E +KN 16 65C 1 10,-2.7 10,-2.3 -2,-0.4 -39,-0.2 -0.845 58.4 34.7-116.6 156.4 -3.7 8.3 11.0 56 69 A G S S+ 0 0 25 -41,-0.7 8,-0.4 -2,-0.3 2,-0.4 0.648 92.8 98.1 81.5 15.9 -7.2 9.9 10.9 57 70 A S - 0 0 31 -42,-0.3 -1,-0.2 6,-0.2 6,-0.1 -0.984 67.0-143.4-136.8 149.6 -6.6 12.6 8.4 58 71 A L S S+ 0 0 57 -2,-0.4 79,-2.2 -3,-0.1 2,-0.2 0.648 92.8 65.0 -78.7 -10.5 -7.1 13.2 4.7 59 72 A S B S-P 136 0D 10 3,-0.4 -42,-0.2 77,-0.2 77,-0.2 -0.709 72.4-143.5-108.2 158.9 -3.7 15.2 4.8 60 73 A R S S+ 0 0 49 75,-0.7 -41,-0.1 -2,-0.2 -1,-0.1 0.626 96.6 46.9 -85.9 -22.8 -0.2 14.0 5.5 61 74 A T S S+ 0 0 81 74,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.457 114.8 16.9-113.0 -2.8 0.9 17.1 7.5 62 75 A S S S+ 0 0 71 3,-0.0 -3,-0.4 -8,-0.0 -1,-0.2 -0.970 88.1 45.1-161.1 161.9 -1.9 17.9 10.0 63 76 A G S S+ 0 0 42 -2,-0.3 -6,-0.2 1,-0.2 -8,-0.1 0.034 81.8 37.4 88.2 167.7 -5.0 16.4 11.7 64 80 A G S S- 0 0 43 -8,-0.4 2,-0.4 -10,-0.1 -1,-0.2 -0.205 98.9 -44.7 58.5-143.3 -5.5 13.0 13.3 65 81 A I E -N 55 0C 72 -10,-2.3 -10,-2.7 -3,-0.1 2,-0.3 -0.974 49.0-154.1-134.6 132.3 -2.8 11.3 15.4 66 82 A T E -N 54 0C 48 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.722 10.4-179.2-107.4 160.7 0.9 10.8 14.7 67 83 A S E -N 53 0C 3 -14,-2.1 -14,-3.1 -2,-0.3 2,-0.1 -0.976 19.5-139.7-151.7 146.8 3.5 8.3 15.8 68 84 A S - 0 0 60 -2,-0.3 23,-2.5 -16,-0.2 24,-0.5 -0.354 41.7 -93.8 -82.1 177.1 7.2 7.6 15.4 69 85 A L E -O 90 0C 18 -18,-0.5 21,-0.3 -21,-0.4 3,-0.1 -0.786 27.7-175.8-100.7 143.4 8.4 4.0 14.9 70 86 A S E S- 0 0 65 19,-3.1 2,-0.3 -2,-0.4 20,-0.2 0.728 74.6 -8.7 -98.4 -33.6 9.6 1.6 17.6 71 87 A S E -O 89 0C 49 18,-1.2 18,-2.3 -23,-0.1 -1,-0.4 -0.986 53.0-145.3-161.0 164.5 10.6 -1.2 15.2 72 88 A V E -O 88 0C 34 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.999 12.4-176.9-136.1 133.0 10.5 -2.5 11.6 73 89 A R E -O 87 0C 123 14,-2.4 14,-2.7 -2,-0.4 2,-0.2 -0.968 10.0-159.2-134.0 114.5 10.2 -6.1 10.4 74 90 A V E -O 86 0C 44 -2,-0.4 12,-0.2 12,-0.2 10,-0.1 -0.547 41.9 -80.7 -86.2 158.4 10.3 -6.9 6.7 75 91 A H > - 0 0 24 10,-2.3 3,-2.0 8,-0.3 -1,-0.1 -0.302 41.0-124.0 -54.2 137.2 8.9 -10.2 5.3 76 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.683 111.4 44.8 -62.2 -17.5 11.5 -13.0 5.9 77 93 A S T 3 S+ 0 0 70 6,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.105 78.3 142.4-111.3 17.0 11.5 -13.8 2.2 78 94 A Y < + 0 0 62 -3,-2.0 2,-0.3 7,-0.1 5,-0.2 -0.416 18.2 153.5 -55.7 130.3 11.6 -10.2 0.9 79 95 A S B > -Q 82 0E 87 3,-2.0 3,-2.4 -2,-0.1 2,-0.1 -0.881 61.6 -34.6-164.3 125.3 13.9 -10.1 -2.2 80 96 A G T 3 S- 0 0 59 -2,-0.3 -1,-0.1 1,-0.3 -39,-0.0 -0.403 126.3 -27.0 58.0-131.0 13.8 -7.7 -5.1 81 99 A N T > S+ 0 0 75 -2,-0.1 3,-0.6 -3,-0.1 2,-0.3 0.465 114.9 110.8 -85.0 -7.7 10.1 -6.8 -5.5 82 100 A N B < S+Q 79 0E 41 -3,-2.4 -3,-2.0 1,-0.2 3,-0.1 -0.555 82.8 5.0 -81.1 137.6 9.0 -10.1 -4.1 83 101 A N T 3 S- 0 0 10 -2,-0.3 2,-2.0 -5,-0.2 -8,-0.3 0.922 78.4-177.8 61.1 50.0 7.2 -10.3 -0.8 84 102 A D < + 0 0 1 -3,-0.6 2,-0.3 78,-0.2 127,-0.2 -0.399 33.9 112.3 -88.0 64.4 7.1 -6.5 -0.4 85 103 A L - 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