==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-03 1O2U . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,K.ELROD,E.VERNER,R.L.MACKMAN,C.LUONG,W.D.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 30.9 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 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 . 3 2 2 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.2 53.0 -3.7 25.1 2 17 A V B +A 171 0A 10 169,-2.8 169,-2.0 1,-0.2 123,-0.1 -0.901 360.0 9.1-108.1 132.7 52.9 -7.3 23.9 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.724 102.1 123.0 72.0 23.2 55.0 -8.3 20.9 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.207 54.5-121.2-102.2-167.9 56.7 -4.9 20.8 5 20 A Y E -B 137 0B 90 132,-2.4 132,-2.9 -2,-0.1 2,-0.3 -0.893 35.1 -84.4-134.6 163.8 60.4 -3.9 21.0 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.548 36.2-150.3 -69.3 125.2 62.6 -1.7 23.2 7 22 A a - 0 0 17 128,-2.4 -1,-0.2 -2,-0.3 129,-0.1 0.902 35.2-114.1 -64.9 -44.6 62.2 1.8 22.0 8 23 A G > - 0 0 27 127,-0.5 3,-1.8 -3,-0.0 4,-0.3 0.078 48.1 -58.1 112.7 137.9 65.6 3.1 23.0 9 24 A A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.198 117.6 -9.3 -53.5 132.0 66.1 5.8 25.7 10 25 A N T 3 S+ 0 0 37 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.640 90.5 124.4 52.4 30.3 64.3 9.0 24.9 11 26 A T S < S+ 0 0 83 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.537 77.2 49.6 -88.7 -6.7 63.3 8.1 21.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.7 87,-0.1 -1,-0.3 -0.726 74.0 172.8-127.9 74.7 59.7 8.9 22.2 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.614 71.7 56.6 -69.5 -15.0 60.2 12.3 23.9 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.2 0.452 82.3 108.5 -93.4 -5.0 56.5 13.1 24.3 15 30 A Q E < -J 28 0C 7 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.550 47.7-175.6 -74.4 133.8 55.8 9.9 26.3 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.1 -2,-0.2 2,-0.4 -0.886 20.1-138.2-127.9 161.5 55.1 10.4 30.0 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.9 -2,-0.3 2,-0.6 -0.961 14.3-142.7-117.1 133.1 54.5 8.0 32.9 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.4 7,-1.1 -0.896 26.7-169.4-100.3 124.2 51.8 8.8 35.5 19 34 A N E +JK 23 47C 16 28,-2.8 28,-2.1 -2,-0.6 4,-0.2 -0.966 32.3 169.0-123.2 133.7 53.0 7.8 38.9 20 37 A S S S- 0 0 37 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.324 97.1 -47.8-131.5 43.5 51.3 7.5 42.3 21 38 A G S S+ 0 0 72 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.417 140.2 31.9 101.9 2.0 54.1 5.6 44.1 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.900 102.4 -83.6-175.6 158.7 54.3 3.2 41.0 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.600 51.3 158.0 -74.5 127.4 53.7 3.6 37.3 24 41 A F E + 0 0 30 -6,-2.5 2,-0.3 1,-0.4 151,-0.3 0.587 58.7 3.7-127.4 -20.2 49.9 3.2 36.5 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.981 60.3-125.7-158.8 167.0 49.3 4.9 33.1 26 43 A G E +J 17 0C 2 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.438 25.3 176.4-106.3-179.3 50.9 6.6 30.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.956 25.3-113.9-173.0 173.6 50.2 10.0 28.7 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.4 -2,-0.3 2,-0.5 -0.991 19.8-130.0-128.5 133.8 51.5 12.4 26.0 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.0 -2,-0.4 6,-0.2 -0.707 28.1 172.7 -80.8 121.6 53.0 15.9 26.5 30 47 A I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.592 69.3 -6.6-107.2 -14.0 51.2 18.3 24.2 31 48 A N E > S- L 0 34C 47 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.928 90.9 -81.0-162.5 173.6 52.8 21.6 25.4 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.654 127.4 30.3 -64.1 -12.3 55.2 22.4 28.3 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.406 110.4 69.1-124.8 3.7 52.4 22.5 30.9 34 51 A W E < -LM 31 89C 10 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.3 -0.980 47.9-173.8-133.5 141.9 49.8 20.0 29.6 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.8 -2,-0.4 2,-0.4 -0.946 14.7-146.5-124.6 143.5 49.5 16.3 29.2 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.2 -0.920 33.4 147.1-112.7 137.6 46.7 14.3 27.5 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.3 -0.718 50.4 -68.1-147.2-165.2 45.8 10.8 29.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.753 32.3-130.6-100.4 144.8 42.7 8.6 29.4 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.847 107.0 63.9 -62.2 -33.7 39.9 9.5 31.8 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.568 93.2 64.6 -70.8 -2.5 39.9 6.1 33.3 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.405 77.6 127.8 -94.8 1.4 43.5 6.8 34.5 42 59 A Y < + 0 0 122 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.271 20.9 129.8 -62.8 145.1 42.2 9.6 36.8 43 60 A K - 0 0 55 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.918 53.7-101.4-176.4 167.6 43.1 9.6 40.5 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.542 95.4 50.0 -98.5 171.0 44.5 12.2 42.8 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.900 73.0 166.2 71.4 40.6 48.1 12.3 43.9 46 63 A I - 0 0 11 -3,-0.3 21,-2.1 21,-0.1 2,-0.5 -0.749 20.8-170.7 -94.5 135.4 49.5 12.1 40.3 47 64 A Q E -KN 19 66C 50 -28,-2.1 -28,-2.8 -2,-0.4 2,-0.5 -0.982 18.1-142.0-118.6 131.5 53.2 12.9 39.6 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.7 -2,-0.5 2,-0.6 -0.857 11.4-156.2 -98.0 130.1 54.0 13.2 35.9 49 65AA R E -KN 17 64C 49 -32,-2.9 -32,-2.1 -2,-0.5 3,-0.3 -0.954 13.0-174.9-115.0 115.2 57.4 11.7 35.0 50 66 A L E + N 0 63C 2 13,-2.9 13,-2.2 -2,-0.6 -34,-0.1 -0.672 62.1 28.2-105.5 158.4 58.9 13.1 31.8 51 69 A G S S+ 0 0 5 -36,-0.5 -1,-0.2 -38,-0.3 2,-0.2 0.697 86.2 152.5 62.6 27.3 62.2 12.0 30.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.498 21.9 150.4 -88.1 155.1 61.8 8.5 31.4 53 71 A D S S+ 0 0 18 1,-0.3 2,-0.9 4,-0.2 82,-0.4 0.278 78.7 36.1-142.5 -68.6 63.1 5.2 30.0 54 72 A N S > S- 0 0 22 3,-0.2 3,-1.1 80,-0.2 -1,-0.3 -0.829 71.6-163.9 -94.0 107.0 63.8 2.9 32.9 55 73 A I T 3 S+ 0 0 27 78,-2.5 -1,-0.1 -2,-0.9 79,-0.1 0.573 83.9 53.6 -70.0 -6.7 61.0 3.7 35.4 56 74 A N T 3 S+ 0 0 114 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.518 106.7 52.2-103.6 -7.1 62.8 2.0 38.3 57 75 A V S < S- 0 0 70 -3,-1.1 2,-0.6 76,-0.2 -4,-0.2 -0.997 73.6-134.2-130.0 134.1 66.1 3.8 38.0 58 76 A V + 0 0 113 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.766 38.1 159.3 -85.5 126.3 67.0 7.6 37.9 59 77 A E - 0 0 114 -2,-0.6 -1,-0.2 1,-0.3 2,-0.1 0.423 57.3 -83.2-125.0 -8.0 69.5 7.7 35.0 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.167 103.0 65.9 112.3 154.9 69.3 11.3 34.0 61 79 A N S S+ 0 0 75 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.161 70.4 131.4 85.3 -9.9 66.9 13.3 31.8 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.419 36.9-171.0 -74.9 146.3 64.0 12.7 34.1 63 81 A Q E -N 50 0C 35 -13,-2.2 -13,-2.9 -2,-0.1 2,-0.5 -0.986 5.7-163.0-134.7 121.8 61.7 15.6 35.2 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.953 17.4 170.6-109.3 121.1 59.1 14.7 38.0 65 83 A I E -N 48 0C 22 -17,-2.7 -17,-3.2 -2,-0.5 2,-0.1 -0.999 30.3-124.0-134.9 134.0 56.4 17.4 38.2 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.392 29.4-112.4 -74.1 152.8 53.2 17.1 40.2 67 85 A A E -O 90 0C 22 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.692 20.7-162.7 -83.4 138.7 49.9 17.6 38.4 68 86 A S E S- 0 0 78 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.863 74.1 -7.6 -88.9 -45.5 48.1 20.9 39.5 69 87 A K E -O 89 0C 86 20,-1.1 20,-2.6 2,-0.0 2,-0.4 -0.983 56.9-148.3-148.5 157.5 44.7 19.7 38.1 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.998 12.0-160.5-128.1 130.8 43.2 16.8 36.0 71 89 A I E -O 87 0C 32 16,-3.3 16,-2.2 -2,-0.4 2,-0.3 -0.928 5.1-162.1-118.5 104.7 40.2 17.6 33.8 72 90 A V E -O 86 0C 47 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.630 40.4 -92.0 -83.4 143.9 38.3 14.5 32.8 73 91 A H > - 0 0 23 12,-2.1 3,-1.9 10,-0.3 -1,-0.1 -0.337 33.7-130.2 -56.1 131.7 36.0 15.0 29.8 74 92 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.756 106.7 48.0 -58.9 -26.3 32.5 16.0 31.2 75 93 A S T 3 S+ 0 0 76 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.117 77.9 136.5-101.5 17.7 30.8 13.3 29.1 76 94 A Y < - 0 0 58 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.499 39.3-159.1 -65.8 134.3 33.1 10.5 30.0 77 95 A N B >> -P 82 0D 65 5,-1.8 4,-2.3 -2,-0.2 5,-0.6 -0.967 7.2-160.1-116.7 110.8 31.1 7.3 30.6 78 96 A S T 45S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.659 88.8 57.1 -69.6 -11.0 33.0 4.8 32.7 79 97 A N T 45S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.874 122.6 20.6 -88.3 -35.1 30.8 2.0 31.6 80 98 A T T 45S- 0 0 67 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.595 94.3-131.5-104.9 -11.9 31.3 2.4 27.8 81 99 A L T ><5 + 0 0 31 -4,-2.3 3,-0.9 1,-0.3 2,-0.2 0.674 49.7 159.2 67.6 24.7 34.6 4.3 28.0 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-1.8 1,-0.3 -1,-0.3 -0.586 67.7 17.2 -74.9 140.5 33.1 6.8 25.5 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.890 80.5 174.9 63.1 44.4 35.0 10.1 25.7 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.507 33.4 114.7 -81.6 75.4 37.9 8.4 27.5 85 103 A I + 0 0 0 -2,-2.1 -12,-2.1 -47,-0.3 2,-0.3 -0.995 37.2 179.4-146.0 146.7 40.2 11.5 27.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.987 17.2-144.2-147.8 146.5 41.6 13.7 30.3 87 105 A L E -MO 36 71C 0 -16,-2.2 -16,-3.3 -2,-0.3 2,-0.4 -0.907 12.1-161.2-113.5 140.2 43.9 16.7 30.4 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.4 -2,-0.4 2,-0.4 -0.991 6.0-152.1-123.0 131.0 46.5 17.2 33.2 89 107 A K E -MO 34 69C 47 -20,-2.6 -21,-3.3 -2,-0.4 -20,-1.1 -0.862 20.5-130.8-102.0 134.1 48.0 20.6 33.9 90 108 A L E - 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