==== 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 1O3E . 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) . 9158.0 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 . 67 30.0 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 . 19 8.5 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 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 0.000 360.0 360.0 360.0 129.6 52.9 -3.7 25.4 2 17 A V B +A 171 0A 11 169,-2.9 169,-1.8 1,-0.2 123,-0.1 -0.907 360.0 8.0-108.7 133.6 52.8 -7.4 24.4 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.698 102.4 119.0 71.3 23.4 55.0 -8.4 21.5 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.206 56.6-116.4-103.8-164.5 56.7 -5.1 21.1 5 20 A Y E -B 137 0B 91 132,-2.6 132,-3.0 -2,-0.1 2,-0.4 -0.887 34.1 -84.9-134.0 165.7 60.3 -4.0 21.4 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.572 36.5-148.0 -70.6 120.8 62.4 -1.7 23.6 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.891 34.8-115.0 -58.8 -44.6 62.0 1.8 22.2 8 23 A G > - 0 0 30 127,-0.5 3,-1.7 4,-0.0 4,-0.2 0.043 50.2 -55.5 112.7 138.0 65.5 3.0 23.1 9 24 A A T 3 S- 0 0 57 1,-0.2 44,-0.1 2,-0.1 43,-0.0 -0.171 117.3 -11.5 -53.7 127.4 66.0 5.8 25.7 10 25 A N T 3 S+ 0 0 37 42,-0.3 -1,-0.2 2,-0.1 43,-0.1 0.668 89.5 126.8 56.1 28.1 64.1 9.0 24.9 11 26 A T S < S+ 0 0 83 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.529 75.5 49.9 -85.8 -6.0 63.1 8.0 21.4 12 27 A V S > S+ 0 0 9 -4,-0.2 3,-1.7 87,-0.1 -1,-0.3 -0.709 73.3 173.1-128.4 74.2 59.5 8.8 22.2 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.599 70.6 57.8 -67.8 -14.1 59.9 12.2 23.8 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.462 81.0 109.6 -94.8 -2.4 56.2 13.1 24.1 15 30 A Q E < -J 28 0C 6 -3,-1.7 36,-0.4 13,-0.2 37,-0.4 -0.535 46.7-175.5 -75.3 132.6 55.5 10.0 26.3 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.3 2,-0.4 -0.871 19.8-138.7-125.7 161.2 54.8 10.7 30.0 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.8 -2,-0.3 2,-0.6 -0.960 15.3-141.2-116.5 134.7 54.2 8.3 33.0 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.1 -2,-0.4 7,-1.0 -0.885 29.6-169.9-100.0 128.1 51.4 9.3 35.4 19 34 A N E +JK 23 47C 15 28,-2.8 28,-2.2 -2,-0.6 4,-0.2 -0.973 36.3 165.2-127.5 137.8 52.6 8.5 38.9 20 37 A S S S- 0 0 38 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.338 97.3 -48.2-138.5 44.4 51.1 8.3 42.4 21 38 A G S S+ 0 0 71 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.424 139.0 32.7 101.7 -1.6 53.9 6.4 44.0 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.915 100.6 -87.7-170.2 163.9 53.9 3.9 41.2 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.726 48.8 159.9 -84.0 126.6 53.2 4.1 37.4 24 41 A F E + 0 0 32 -6,-2.1 2,-0.3 -2,-0.4 151,-0.3 0.598 60.6 5.8-124.4 -21.0 49.5 3.6 36.7 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.988 60.8-127.9-157.5 163.6 48.9 5.2 33.2 26 43 A G E +J 17 0C 2 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.398 26.3 176.8-103.4-177.9 50.7 6.8 30.3 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.1 2,-0.4 -0.966 24.4-113.7-172.5 174.7 49.9 10.1 28.6 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.2 -2,-0.3 2,-0.6 -0.985 18.3-131.3-129.2 137.2 51.2 12.4 25.8 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.1 -2,-0.4 6,-0.2 -0.750 26.9 173.4 -84.0 121.7 52.7 15.9 26.1 30 47 A I - 0 0 19 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.538 69.6 -9.2-107.7 -8.6 50.9 18.2 23.6 31 48 A N S S- 0 0 47 3,-1.1 3,-0.4 70,-0.1 -1,-0.2 -0.925 92.0 -77.1-165.7-179.3 52.5 21.5 24.6 32 49 A S S S+ 0 0 46 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.681 126.3 28.4 -71.1 -13.5 54.7 22.6 27.6 33 50 A Q S S+ 0 0 61 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.411 110.6 69.5-123.4 2.1 52.0 22.7 30.2 34 51 A W E - M 0 89C 10 -3,-0.4 -4,-2.2 55,-0.2 -3,-1.1 -0.975 48.4-174.0-131.5 143.0 49.3 20.2 29.0 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.8 -2,-0.4 2,-0.4 -0.910 14.9-145.5-123.9 148.6 49.1 16.4 28.7 36 53 A V E +LM 28 87C 0 -8,-2.2 -8,-2.2 -2,-0.3 2,-0.2 -0.956 33.0 146.7-118.5 134.7 46.4 14.3 27.2 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.715 50.8 -66.0-145.3-163.8 45.5 10.9 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.749 34.0-129.8 -98.9 145.6 42.4 8.7 29.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.836 107.0 61.6 -61.5 -34.1 39.6 9.8 31.5 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.550 91.8 66.6 -74.3 -0.8 39.6 6.5 33.2 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.392 77.5 128.4 -94.0 0.4 43.2 7.1 34.4 42 59 A Y < + 0 0 121 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.0 -0.281 20.6 130.4 -61.5 138.5 41.8 10.0 36.6 43 60 A K - 0 0 56 -2,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.939 54.1 -99.0-170.3 172.0 42.7 10.2 40.3 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.641 96.0 48.3-102.1 164.8 44.0 12.9 42.6 45 62 A G S S+ 0 0 65 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.914 72.8 168.0 75.8 43.5 47.7 13.1 43.6 46 63 A I - 0 0 11 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.771 19.3-171.1 -96.3 132.2 49.0 12.8 40.1 47 64 A Q E -KN 19 66C 53 -28,-2.2 -28,-2.8 -2,-0.5 2,-0.5 -0.984 18.3-142.0-117.7 127.6 52.7 13.6 39.4 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.7 -2,-0.5 2,-0.6 -0.797 11.3-156.4 -93.5 130.0 53.5 13.7 35.7 49 65AA R E -KN 17 64C 49 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.938 13.4-176.4-116.5 113.9 57.0 12.2 34.9 50 66 A L E + N 0 63C 2 13,-3.0 13,-1.8 -2,-0.6 -34,-0.1 -0.601 59.7 30.3-101.9 160.7 58.5 13.4 31.6 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.673 84.3 151.9 61.5 27.2 61.9 12.3 29.9 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.508 24.8 152.3 -90.1 153.6 61.7 8.8 31.3 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.7 4,-0.3 82,-0.2 0.270 82.2 33.9-136.6 -78.6 63.0 5.5 30.0 54 72 A N S > S- 0 0 21 80,-0.2 3,-0.8 3,-0.2 -1,-0.4 -0.743 73.2-163.1 -80.9 113.9 63.7 3.3 33.1 55 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.544 86.2 52.3 -77.8 -3.9 60.8 4.4 35.5 56 74 A N T 3 S+ 0 0 116 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.480 106.9 56.5-106.1 -5.9 62.5 2.8 38.5 57 75 A V S < S- 0 0 70 -3,-0.8 2,-0.8 76,-0.2 -4,-0.3 -0.995 75.6-134.1-127.1 132.7 65.9 4.6 38.1 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.756 36.4 164.1 -84.2 112.4 66.7 8.3 37.8 59 77 A E - 0 0 110 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.523 55.7 -89.7-107.0 -11.5 69.1 8.3 34.8 60 78 A G S S+ 0 0 34 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.166 102.7 69.3 110.6 154.4 68.9 12.0 34.0 61 79 A N + 0 0 64 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.150 68.8 131.5 89.4 -9.9 66.5 13.9 31.7 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.418 36.6-171.2 -74.1 147.4 63.5 13.3 34.0 63 81 A Q E -N 50 0C 35 -13,-1.8 -13,-3.0 -2,-0.1 2,-0.6 -0.985 6.4-161.8-137.2 124.1 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 -0.966 18.2 171.4-111.1 116.4 58.7 15.4 37.7 65 83 A I E -N 48 0C 14 -17,-2.7 -17,-3.4 -2,-0.6 2,-0.2 -0.985 29.2-124.9-130.3 139.2 55.9 18.0 37.7 66 84 A S E -N 47 0C 48 -2,-0.4 25,-2.9 -19,-0.2 26,-0.3 -0.505 29.1-111.4 -81.0 153.2 52.6 17.9 39.7 67 85 A A E -O 90 0C 22 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.654 20.0-161.9 -79.4 137.6 49.3 18.1 37.9 68 86 A S E S- 0 0 78 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.816 75.0 -15.0 -89.7 -37.4 47.6 21.5 38.7 69 87 A K E -O 89 0C 88 20,-1.1 20,-2.9 2,-0.0 2,-0.4 -0.969 57.4-144.2-160.1 154.0 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 -0.984 13.1-155.7-123.9 134.6 42.8 17.2 35.4 71 89 A I E -O 87 0C 33 16,-3.2 16,-2.0 -2,-0.4 2,-0.2 -0.922 5.5-160.9-116.7 102.2 39.8 17.8 33.2 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.589 39.5 -95.2 -79.3 143.3 37.8 14.6 32.4 73 91 A H > - 0 0 22 12,-1.9 3,-2.0 10,-0.3 -1,-0.1 -0.375 33.3-129.2 -59.0 132.7 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 0.790 107.1 48.2 -58.6 -28.6 32.1 16.0 30.7 75 93 A S T 3 S+ 0 0 77 2,-0.1 2,-0.1 8,-0.1 -2,-0.1 0.150 78.4 139.1 -99.0 18.9 30.4 13.3 28.6 76 94 A Y < - 0 0 56 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.461 37.8-159.5 -64.0 135.1 32.8 10.6 29.7 77 95 A N B >> -P 82 0D 63 5,-1.9 4,-2.4 -2,-0.1 5,-0.5 -0.974 7.9-161.5-118.7 113.9 30.8 7.3 30.4 78 96 A S T 45S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.603 87.7 55.8 -74.1 -9.2 32.6 4.9 32.7 79 97 A N T 45S+ 0 0 146 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.808 124.2 20.7 -91.1 -32.8 30.5 1.9 31.6 80 98 A T T 45S- 0 0 65 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.667 94.9-132.6-104.9 -20.3 31.1 2.2 27.9 81 99 A L T ><5 + 0 0 32 -4,-2.4 3,-0.8 1,-0.3 2,-0.2 0.659 47.9 161.0 71.7 25.8 34.3 4.2 28.0 82 100 A N B 3 < +P 77 0D 34 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.3 -0.578 66.0 17.4 -74.4 139.7 32.8 6.5 25.4 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.895 79.6 174.5 64.3 45.7 34.7 9.9 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.497 32.9 115.4 -83.0 75.7 37.7 8.3 27.3 85 103 A I + 0 0 0 -2,-2.1 -12,-1.9 -47,-0.3 2,-0.3 -0.995 37.0 179.1-145.0 145.8 39.9 11.4 27.2 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.986 17.8-144.3-145.6 147.5 41.3 13.8 29.9 87 105 A L E -MO 36 71C 0 -16,-2.0 -16,-3.2 -2,-0.3 2,-0.4 -0.912 13.0-159.7-113.7 141.2 43.5 16.8 29.8 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.5 -2,-0.4 2,-0.4 -0.993 5.6-151.5-123.7 130.5 46.1 17.4 32.6 89 107 A K E -MO 34 69C 46 -20,-2.9 -21,-3.3 -2,-0.4 -20,-1.1 -0.838 19.0-130.7-100.9 137.9 47.5 20.9 33.2 90 108 A L E - 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