==== 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 1O3L . 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) . 9160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 4 1.8 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.1 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 . 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 . 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.1 52.7 -3.5 25.4 2 17 A V B +A 171 0A 9 169,-3.2 169,-2.1 1,-0.2 123,-0.1 -0.908 360.0 5.3-107.9 132.4 52.6 -7.2 24.4 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.713 101.9 122.8 68.7 25.3 54.8 -8.4 21.6 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.186 54.9-118.4-101.7-166.2 56.6 -5.0 21.2 5 20 A Y E -B 137 0B 92 132,-2.5 132,-3.1 -2,-0.1 2,-0.6 -0.871 34.4 -84.5-133.7 166.4 60.2 -3.9 21.4 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.584 35.7-150.3 -74.0 118.6 62.4 -1.7 23.5 7 22 A a - 0 0 18 128,-1.8 -1,-0.2 -2,-0.6 129,-0.1 0.900 35.7-115.3 -56.1 -46.3 62.0 1.8 22.1 8 23 A G > - 0 0 27 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 0.045 49.0 -53.4 112.4 140.3 65.4 3.0 23.1 9 24 A A T 3 S- 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.191 117.4 -11.9 -53.5 129.7 65.9 5.9 25.6 10 25 A N T 3 S+ 0 0 36 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.582 89.9 127.0 53.6 26.6 64.1 9.1 24.9 11 26 A T S < S+ 0 0 79 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.588 76.0 48.4 -81.6 -8.3 63.1 8.1 21.4 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.697 73.3 174.0-127.8 74.0 59.5 8.9 22.2 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.577 72.2 57.6 -66.5 -13.5 60.0 12.4 23.8 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.475 80.7 108.0 -95.2 -4.1 56.2 13.1 24.1 15 30 A Q E < -J 28 0C 6 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.552 48.2-174.3 -76.1 133.5 55.5 10.0 26.2 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.1 -2,-0.3 2,-0.4 -0.879 19.2-137.7-126.5 160.7 54.8 10.7 29.9 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.8 -2,-0.3 2,-0.6 -0.961 14.1-141.6-116.3 133.1 54.2 8.4 32.9 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.6 -2,-0.4 7,-1.1 -0.887 28.5-166.7-100.8 124.5 51.3 9.3 35.4 19 34 A N E +JK 23 47C 16 28,-2.8 28,-2.0 -2,-0.6 4,-0.2 -0.964 35.0 164.9-122.6 132.5 52.6 8.4 38.8 20 37 A S S S- 0 0 34 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.377 97.1 -49.3-134.4 46.1 51.0 8.0 42.3 21 38 A G S S+ 0 0 72 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.417 139.6 32.9 97.8 -0.4 53.9 6.2 44.0 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.916 101.7 -85.6-172.4 161.7 54.0 3.8 41.0 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.666 49.4 160.1 -79.1 127.7 53.3 4.1 37.3 24 41 A F E + 0 0 31 -6,-2.6 2,-0.3 1,-0.4 151,-0.3 0.613 59.3 0.8-125.4 -19.7 49.6 3.6 36.6 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-2.9 151,-0.1 -1,-0.4 -0.974 61.6-123.3-159.6 167.7 48.9 5.2 33.1 26 43 A G E +J 17 0C 2 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.428 24.9 178.1-106.7-177.5 50.6 6.9 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 24.2-115.6-172.5 172.1 49.9 10.3 28.5 28 45 A S E -JL 15 36C 1 8,-2.4 8,-2.5 -2,-0.3 2,-0.5 -0.990 19.5-130.2-128.3 134.4 51.2 12.5 25.7 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.3 -2,-0.4 6,-0.2 -0.705 27.4 173.6 -82.0 123.0 52.7 16.0 26.1 30 47 A I - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.534 69.3 -8.9-109.0 -9.4 50.9 18.3 23.6 31 48 A N S S- 0 0 46 3,-1.1 3,-0.5 70,-0.1 -1,-0.3 -0.906 92.3 -77.3-167.5 177.8 52.4 21.7 24.7 32 49 A S S S+ 0 0 46 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.655 126.9 29.4 -68.7 -12.9 54.7 22.7 27.6 33 50 A Q S S+ 0 0 60 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.425 109.6 69.8-123.8 1.7 51.9 22.8 30.2 34 51 A W E - M 0 89C 10 -3,-0.5 -4,-2.3 55,-0.2 -3,-1.1 -0.966 47.6-173.4-130.4 144.1 49.3 20.2 29.0 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.9 -2,-0.4 2,-0.4 -0.939 14.8-145.9-125.1 144.3 49.1 16.4 28.7 36 53 A V E +LM 28 87C 0 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.2 -0.930 33.4 146.4-113.2 136.7 46.4 14.3 27.2 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.3 -2,-0.4 2,-0.4 -0.714 49.4 -67.4-146.7-164.3 45.5 11.0 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.769 31.5-130.6-102.7 143.0 42.4 8.8 29.2 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.854 105.7 61.3 -57.5 -38.2 39.5 9.7 31.5 40 57 A H G 3 S+ 0 0 71 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.509 94.8 64.7 -72.6 0.3 39.5 6.3 33.2 41 58 A b G < S+ 0 0 6 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.404 77.2 127.1 -97.3 -2.5 43.1 7.0 34.4 42 59 A Y < + 0 0 122 -3,-1.9 2,-0.3 -4,-0.2 -3,-0.0 -0.269 22.0 135.5 -59.5 137.6 41.8 9.9 36.5 43 60 A K - 0 0 54 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.941 52.2-100.2-166.8 167.8 42.7 10.0 40.2 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.606 96.3 45.8 -97.2 162.7 43.9 12.7 42.6 45 62 A G S S+ 0 0 66 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.891 73.6 168.2 77.0 41.6 47.6 13.1 43.5 46 63 A I - 0 0 11 -3,-0.3 21,-2.1 21,-0.1 2,-0.5 -0.712 20.2-168.8 -94.8 137.6 49.0 12.7 40.1 47 64 A Q E -KN 19 66C 52 -28,-2.0 -28,-2.8 -2,-0.4 2,-0.5 -0.988 17.0-142.5-119.3 128.1 52.7 13.5 39.4 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.6 -0.829 11.1-156.9 -96.9 131.1 53.5 13.6 35.7 49 65AA R E -KN 17 64C 50 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.958 13.0-176.0-115.9 114.6 57.0 12.2 34.8 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.8 -2,-0.6 -34,-0.1 -0.662 60.4 30.6-105.2 158.6 58.5 13.4 31.6 51 69 A G S S+ 0 0 5 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.760 83.8 150.5 62.9 31.6 61.8 12.3 29.9 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.584 24.0 153.2 -95.1 154.3 61.7 8.8 31.3 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.213 83.3 33.3-137.4 -80.1 63.0 5.6 29.9 54 72 A N S > S- 0 0 20 80,-0.2 3,-1.0 1,-0.2 -1,-0.4 -0.713 72.5-163.8 -80.6 112.2 63.6 3.4 33.0 55 73 A I T 3 S+ 0 0 29 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.562 86.0 53.7 -74.7 -5.2 60.8 4.4 35.4 56 74 A N T 3 S+ 0 0 113 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.427 106.2 55.0-104.9 -3.7 62.5 2.8 38.4 57 75 A V S < S- 0 0 72 -3,-1.0 2,-0.9 76,-0.2 -4,-0.3 -0.998 76.5-133.1-130.7 132.9 65.9 4.6 38.0 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.764 37.0 165.9 -84.9 113.1 66.6 8.3 37.8 59 77 A E - 0 0 104 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.496 54.2 -89.8-106.0 -10.0 68.9 8.2 34.7 60 78 A G S S+ 0 0 35 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.160 104.1 68.3 108.8 154.2 68.9 12.0 33.9 61 79 A N + 0 0 70 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.164 69.7 132.0 87.2 -11.3 66.5 13.8 31.6 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.438 35.4-173.5 -73.9 144.4 63.6 13.3 34.0 63 81 A Q E -N 50 0C 36 -13,-1.8 -13,-2.8 -2,-0.1 2,-0.6 -0.990 7.1-162.5-134.8 122.4 61.3 16.2 34.9 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.954 17.2 172.0-111.4 118.7 58.7 15.4 37.7 65 83 A I E -N 48 0C 19 -17,-2.8 -17,-3.2 -2,-0.6 2,-0.1 -0.993 29.5-124.8-133.2 135.3 55.9 17.9 37.8 66 84 A S E -N 47 0C 47 -2,-0.4 25,-2.7 -19,-0.2 26,-0.3 -0.388 28.4-115.2 -74.4 152.6 52.7 17.8 39.7 67 85 A A E -O 90 0C 21 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.695 18.8-161.7 -84.8 142.1 49.4 18.2 37.9 68 86 A S E S- 0 0 80 21,-3.3 2,-0.3 1,-0.4 -1,-0.2 0.835 74.6 -7.3 -92.1 -42.6 47.6 21.4 38.9 69 87 A K E -O 89 0C 86 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.991 56.9-147.6-152.6 153.3 44.2 20.1 37.5 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.957 13.1-158.6-119.5 137.3 42.8 17.2 35.5 71 89 A I E -O 87 0C 32 16,-3.3 16,-2.2 -2,-0.4 2,-0.3 -0.920 4.6-161.9-124.4 104.9 39.8 17.8 33.2 72 90 A V E -O 86 0C 47 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.643 39.6 -94.5 -82.3 139.2 37.9 14.6 32.4 73 91 A H > - 0 0 23 12,-2.2 3,-1.9 -2,-0.3 -1,-0.1 -0.307 33.2-129.2 -55.1 133.7 35.6 15.0 29.3 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.755 106.9 47.7 -58.7 -27.0 32.1 16.1 30.7 75 93 A S T 3 S+ 0 0 77 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.163 78.2 138.5-101.3 16.3 30.4 13.3 28.6 76 94 A Y < - 0 0 57 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.448 39.0-157.8 -63.0 135.1 32.8 10.6 29.6 77 95 A N B >> -P 82 0D 65 5,-2.0 4,-2.5 -2,-0.1 5,-0.5 -0.961 7.9-162.7-117.1 108.7 30.8 7.3 30.3 78 96 A S T 45S+ 0 0 84 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.622 88.9 56.1 -70.0 -9.2 32.7 4.9 32.6 79 97 A N T 45S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.865 123.9 19.9 -90.0 -38.2 30.4 2.1 31.5 80 98 A T T 45S- 0 0 69 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.597 94.2-132.6-103.0 -12.7 31.0 2.3 27.8 81 99 A L T ><5 + 0 0 31 -4,-2.5 3,-0.8 1,-0.3 2,-0.2 0.668 49.0 159.2 67.0 22.0 34.3 4.3 27.9 82 100 A N B 3 < +P 77 0D 36 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.576 66.9 18.4 -73.7 141.4 32.9 6.6 25.3 83 101 A N T 3 S+ 0 0 20 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.894 80.2 175.5 62.6 46.4 34.8 10.0 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.498 33.7 115.1 -83.2 75.1 37.7 8.4 27.3 85 103 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.993 37.4 179.4-145.6 146.8 39.9 11.4 27.2 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.7 -2,-0.3 2,-0.4 -0.985 17.3-144.3-146.1 146.1 41.3 13.8 29.9 87 105 A L E -MO 36 71C 0 -16,-2.2 -16,-3.3 -2,-0.3 2,-0.5 -0.900 13.9-160.2-112.5 141.9 43.5 16.9 29.8 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.5 -2,-0.4 2,-0.5 -0.994 5.5-151.0-125.5 130.3 46.0 17.5 32.6 89 107 A K E -MO 34 69C 49 -20,-2.9 -21,-3.3 -2,-0.5 -20,-1.2 -0.860 18.8-130.6-101.2 134.3 47.5 20.9 33.3 90 108 A L E - 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