==== 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 2G51 . 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) . 8916.0 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 . 75 33.5 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 . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.2 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,-0.4 0.000 360.0 360.0 360.0 121.4 -2.6 8.3 -7.8 2 17 A V B +A 174 0A 19 172,-2.5 172,-1.9 1,-0.2 125,-0.1 -0.852 360.0 10.0 -99.9 132.9 -3.0 8.9 -11.5 3 18 A G S S+ 0 0 46 123,-0.4 -1,-0.2 -2,-0.4 123,-0.0 0.671 101.2 148.3 69.6 23.4 -6.6 9.4 -12.8 4 19 A G - 0 0 32 -3,-0.4 2,-0.3 136,-0.1 136,-0.2 -0.118 40.0-144.0 -83.9 171.0 -7.9 9.6 -9.2 5 20 A T E -B 139 0B 89 134,-3.1 134,-2.4 -2,-0.0 2,-0.1 -0.920 40.3 -78.1-127.2 161.4 -10.6 11.4 -7.3 6 21 A S E -B 138 0B 83 -2,-0.3 132,-0.2 132,-0.2 2,-0.2 -0.401 44.0-127.9 -58.8 125.8 -10.7 12.9 -3.8 7 22 A A - 0 0 8 130,-2.5 2,-0.2 51,-0.1 -1,-0.1 -0.554 24.9-128.5 -64.8 136.5 -11.2 10.4 -1.0 8 23 A S > - 0 0 70 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.539 35.5 -81.3 -84.1 158.2 -14.0 11.2 1.3 9 24 A A T 3 S+ 0 0 66 1,-0.3 -1,-0.1 -2,-0.2 48,-0.0 -0.444 119.6 14.1 -58.2 132.4 -13.7 11.4 5.1 10 25 A G T 3 S+ 0 0 34 89,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.512 85.4 124.0 75.6 6.6 -13.9 7.8 6.5 11 26 A D S < S+ 0 0 39 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.872 93.6 12.4 -61.5 -39.4 -13.4 6.1 3.1 12 27 A F S > S- 0 0 13 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.760 72.8-177.7-137.6 81.6 -10.4 4.2 4.5 13 28 A P T 3 S+ 0 0 46 0, 0.0 88,-1.5 0, 0.0 43,-0.3 0.776 83.7 51.3 -57.0 -24.9 -10.5 4.7 8.3 14 29 A F T 3 S+ 0 0 9 86,-0.2 16,-3.5 88,-0.1 2,-0.2 0.425 80.3 119.3 -90.8 -5.9 -7.3 2.7 8.6 15 30 A I E < -J 29 0C 9 -3,-1.8 41,-0.7 14,-0.2 2,-0.4 -0.466 40.6-170.0 -68.7 136.2 -5.1 4.5 6.0 16 31 A V E -JK 28 55C 0 12,-2.4 12,-1.8 -2,-0.2 2,-0.4 -0.953 18.7-137.2-119.7 145.2 -1.9 6.2 7.2 17 32 A S E -JK 27 54C 6 37,-2.0 37,-2.0 -2,-0.4 2,-0.6 -0.798 17.3-151.3 -90.9 135.1 0.4 8.5 5.4 18 33 A I E -JK 26 53C 1 8,-3.2 8,-2.6 -2,-0.4 7,-0.5 -0.924 13.3-167.8-111.5 109.6 4.1 7.7 6.1 19 34 A S E -JK 24 52C 21 33,-3.0 33,-1.9 -2,-0.6 2,-0.4 -0.542 3.5-157.3 -89.4 153.4 6.3 10.8 5.9 20 35 A R E > S-JK 23 51C 59 3,-2.5 3,-2.0 31,-0.2 31,-0.2 -0.978 75.2 -9.1-135.9 131.0 10.1 10.5 5.7 21 36 A N T 3 S- 0 0 132 29,-2.4 30,-0.1 -2,-0.4 -1,-0.1 0.850 129.5 -61.0 50.5 33.0 12.5 13.3 6.7 22 37 A G T 3 S+ 0 0 69 28,-0.6 -1,-0.3 1,-0.3 3,-0.1 0.355 119.4 98.5 83.2 -2.5 9.3 15.4 6.9 23 38 A G E < S-J 20 0C 25 -3,-2.0 -3,-2.5 1,-0.1 -1,-0.3 -0.611 85.9 -74.6-112.0 169.0 8.4 15.0 3.2 24 39 A P E +J 19 0C 61 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.299 61.8 140.6 -65.1 152.0 6.1 12.7 1.4 25 40 A W E - 0 0 80 -7,-0.5 153,-0.4 1,-0.4 155,-0.3 0.402 53.5 -19.3-148.1 -62.7 7.2 9.1 1.1 26 41 A a E -J 18 0C 8 -8,-2.6 -8,-3.2 153,-0.1 -1,-0.4 -0.892 47.0-121.7-146.7 176.6 4.7 6.2 1.4 27 42 A G E -J 17 0C 1 153,-3.0 12,-0.5 -2,-0.3 2,-0.3 -0.695 25.4-178.9-120.3 180.0 1.3 5.0 2.7 28 43 A G E -J 16 0C 0 -12,-1.8 -12,-2.4 -2,-0.2 2,-0.4 -0.961 24.8-113.3-166.2 174.3 0.3 2.3 5.1 29 44 A S E -JL 15 37C 2 8,-2.2 8,-3.5 -2,-0.3 2,-0.7 -0.992 22.8-132.4-130.3 128.0 -2.6 0.5 6.8 30 45 A L E + L 0 36C 0 -16,-3.5 73,-2.4 -2,-0.4 6,-0.3 -0.694 24.8 177.8 -82.5 112.3 -3.3 0.6 10.5 31 46 A L E - 0 0 20 4,-2.8 2,-0.3 -2,-0.7 -1,-0.2 0.752 66.3 -23.5 -86.1 -31.8 -3.9 -3.0 11.6 32 47 A N E > S- L 0 35C 41 3,-1.2 3,-1.6 69,-0.1 -1,-0.3 -0.899 91.5 -63.3-167.5-179.8 -4.4 -2.3 15.3 33 48 A A T 3 S+ 0 0 31 1,-0.3 61,-2.9 -2,-0.3 59,-0.1 0.717 131.6 24.4 -57.5 -26.6 -3.5 0.4 17.8 34 49 A N T 3 S+ 0 0 59 59,-0.2 56,-2.7 190,-0.2 2,-0.4 0.235 109.5 82.2-122.8 17.6 0.3 -0.1 17.6 35 50 A T E < -LM 32 89C 0 -3,-1.6 -4,-2.8 54,-0.2 -3,-1.2 -0.976 44.4-175.9-140.3 134.3 0.8 -1.6 14.1 36 51 A V E -LM 30 88C 0 52,-2.7 52,-3.0 -2,-0.4 2,-0.5 -0.949 15.4-147.4-122.3 137.9 1.0 -0.4 10.5 37 52 A L E +LM 29 87C 2 -8,-3.5 -8,-2.2 -2,-0.4 2,-0.2 -0.893 33.9 149.0-102.1 132.2 1.4 -2.6 7.4 38 53 A T E - M 0 86C 0 48,-2.6 48,-1.7 -2,-0.5 2,-0.4 -0.780 50.9 -70.3-144.6-175.1 3.4 -1.1 4.6 39 54 A A >> - 0 0 0 -12,-0.5 3,-0.9 46,-0.2 4,-0.6 -0.725 36.5-131.5 -85.2 138.3 5.6 -2.1 1.7 40 55 A A H >> S+ 0 0 0 -2,-0.4 4,-3.1 1,-0.2 3,-1.5 0.893 107.1 59.6 -48.5 -43.6 9.0 -3.5 2.7 41 56 A H H 34 S+ 0 0 59 1,-0.3 -1,-0.2 2,-0.2 44,-0.1 0.792 94.8 64.7 -65.1 -27.1 10.7 -1.2 0.2 42 57 A a H <4 S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.800 125.2 9.5 -57.1 -28.6 9.3 1.9 2.0 43 58 A V H X< S+ 0 0 3 -3,-1.5 3,-1.7 -4,-0.6 -2,-0.2 0.654 84.7 129.3-130.4 -19.6 11.3 1.1 5.1 44 59 A S T 3< S- 0 0 53 -4,-3.1 3,-0.1 1,-0.3 29,-0.0 -0.205 92.0 -12.2 -61.1 119.6 13.9 -1.7 4.5 45 60 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.336 103.3 125.6 73.2 -4.5 17.4 -0.6 5.7 46 61 A Y S < S- 0 0 92 -3,-1.7 2,-0.3 1,-0.1 -1,-0.2 -0.441 77.6 -87.6 -79.0 157.0 16.4 3.1 6.1 47 62 A A > - 0 0 65 1,-0.2 3,-1.1 -2,-0.1 4,-0.2 -0.519 36.1-150.2 -63.4 117.2 16.9 5.1 9.5 48 63 A Q G > S+ 0 0 78 -2,-0.3 3,-1.7 1,-0.2 21,-0.4 0.793 91.5 69.6 -62.8 -30.9 13.7 4.3 11.3 49 64 A S G 3 S+ 0 0 119 1,-0.3 -1,-0.2 19,-0.1 -28,-0.1 0.748 87.2 69.7 -58.0 -25.5 13.9 7.7 13.1 50 65 A G G < S+ 0 0 14 -3,-1.1 -29,-2.4 -30,-0.1 -28,-0.6 0.678 85.5 87.2 -66.5 -20.3 13.1 9.3 9.7 51 66 A F E < -K 20 0C 5 -3,-1.7 18,-0.4 -31,-0.2 2,-0.4 -0.599 48.3-179.2 -95.4 141.1 9.5 8.1 9.6 52 67 A Q E -K 19 0C 79 -33,-1.9 -33,-3.0 -2,-0.3 2,-0.4 -0.987 13.7-151.6-135.6 133.2 6.3 9.6 10.9 53 68 A I E -KN 18 67C 0 14,-3.1 14,-2.2 -2,-0.4 2,-0.4 -0.782 7.7-167.4 -99.7 138.1 2.9 8.0 10.6 54 69 A R E +KN 17 66C 35 -37,-2.0 -37,-2.0 -2,-0.4 2,-0.3 -0.985 8.8 179.2-129.4 125.4 -0.3 10.0 10.5 55 70 A A E +KN 16 65C 1 10,-2.6 10,-2.5 -2,-0.4 -39,-0.2 -0.818 57.1 35.6-113.7 155.4 -3.7 8.4 10.9 56 71 A G S S+ 0 0 23 -41,-0.7 8,-0.4 -43,-0.3 2,-0.3 0.658 94.3 98.1 83.7 16.2 -7.3 9.8 10.9 57 72 A S - 0 0 30 -42,-0.3 -1,-0.2 6,-0.2 6,-0.1 -0.988 63.7-149.5-135.8 148.1 -6.7 12.5 8.3 58 73 A L S S+ 0 0 57 -2,-0.3 79,-1.9 -3,-0.1 2,-0.3 0.712 90.9 74.5 -79.3 -21.6 -7.2 13.1 4.6 59 74 A S B S-P 136 0D 14 3,-0.4 77,-0.2 77,-0.2 -42,-0.2 -0.694 70.4-153.2 -88.7 142.2 -4.1 15.3 4.8 60 75 A R S S+ 0 0 42 75,-1.4 -1,-0.1 -2,-0.3 -41,-0.1 0.706 95.1 42.7 -79.2 -17.1 -0.6 13.9 5.1 61 76 A T S S+ 0 0 77 74,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.589 116.3 24.9-110.0 -17.0 0.7 17.0 6.9 62 77 A S S S+ 0 0 74 -8,-0.0 -3,-0.4 3,-0.0 -1,-0.2 -0.980 90.0 31.5-145.0 160.1 -2.0 18.0 9.5 63 78 A G S S+ 0 0 43 -2,-0.3 -6,-0.2 1,-0.2 -8,-0.1 -0.033 80.1 50.4 83.7 172.0 -4.9 16.6 11.5 64 79 A G S S- 0 0 47 -8,-0.4 2,-0.4 -10,-0.1 -8,-0.2 -0.192 95.2 -50.0 59.5-148.9 -5.5 13.2 13.0 65 80 A I E -N 55 0C 62 -10,-2.5 -10,-2.6 -3,-0.1 2,-0.3 -0.972 49.9-153.0-132.2 136.7 -2.9 11.5 15.2 66 81 A T E -N 54 0C 49 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.733 9.6-176.1-112.7 164.3 0.8 10.8 14.6 67 82 A S E -N 53 0C 3 -14,-2.2 -14,-3.1 -2,-0.3 2,-0.1 -0.979 19.1-141.1-157.3 140.9 3.4 8.4 15.7 68 83 A S - 0 0 60 -2,-0.3 23,-2.5 -16,-0.2 24,-0.5 -0.292 43.2 -96.3 -78.6 171.0 7.1 7.7 15.4 69 84 A L E -O 90 0C 19 -18,-0.4 21,-0.3 -21,-0.4 3,-0.1 -0.804 27.7-175.3 -97.5 140.2 8.3 4.1 14.9 70 85 A S E S- 0 0 69 19,-3.0 2,-0.3 -2,-0.4 20,-0.2 0.718 74.6 -5.8 -98.1 -30.8 9.5 1.7 17.6 71 86 A S E -O 89 0C 53 18,-1.3 18,-2.0 -23,-0.1 -1,-0.4 -0.985 52.0-148.5-160.4 166.3 10.4 -1.1 15.2 72 87 A V E -O 88 0C 32 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.997 11.3-175.2-140.2 127.5 10.4 -2.4 11.6 73 88 A R E -O 87 0C 34 14,-2.5 14,-2.6 -2,-0.4 2,-0.2 -0.984 11.3-156.3-128.7 119.5 10.1 -6.1 10.5 74 89 A V E -O 86 0C 40 -2,-0.4 12,-0.3 12,-0.2 10,-0.1 -0.577 39.5 -81.9 -88.5 156.4 10.3 -6.9 6.8 75 90 A H > - 0 0 27 10,-2.4 3,-2.2 8,-0.3 -1,-0.1 -0.296 41.1-126.0 -51.0 133.2 8.9 -10.1 5.3 76 91 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.672 110.1 42.9 -60.3 -19.3 11.4 -12.9 6.0 77 92 A S T 3 S+ 0 0 74 6,-0.1 -2,-0.1 2,-0.0 2,-0.1 0.078 79.8 145.4-111.1 15.0 11.5 -13.8 2.2 78 93 A Y < + 0 0 66 -3,-2.2 2,-0.3 7,-0.1 5,-0.2 -0.361 18.0 157.1 -55.9 126.2 11.6 -10.2 1.0 79 94 A S B > -Q 82 0E 86 3,-2.3 3,-2.7 1,-0.1 5,-0.1 -0.857 58.9 -38.7-163.2 126.7 13.8 -10.1 -2.2 80 95 A G T 3 S- 0 0 59 1,-0.3 -1,-0.1 -2,-0.3 -39,-0.1 -0.394 127.5 -24.2 47.0-127.0 13.9 -7.6 -5.1 81 96 A N T > S+ 0 0 77 -3,-0.1 3,-0.6 77,-0.1 2,-0.3 0.472 116.1 112.2 -80.7 -7.6 10.2 -6.8 -5.6 82 97 A N B < S+Q 79 0E 38 -3,-2.7 -3,-2.3 1,-0.2 3,-0.1 -0.563 81.3 2.9 -86.2 135.8 9.0 -10.0 -4.0 83 98 A N T 3 S- 0 0 12 -2,-0.3 2,-2.0 -5,-0.2 -8,-0.3 0.917 77.8-176.3 62.2 46.7 7.2 -10.3 -0.7 84 99 A D < + 0 0 2 -3,-0.6 2,-0.3 78,-0.2 127,-0.2 -0.392 34.7 112.9 -81.4 65.4 7.1 -6.6 -0.5 85 100 A L - 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