==== 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 23-JAN-04 1S6H . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.R.TRANSUE,J.M.KRAHN,S.A.GABEL,E.F.DEROSE,R.E.LONDON . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 70 31.4 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 . 13 5.8 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 . 16 7.2 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 0 0 0 1 0 0 1 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 1 3 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 118.0 25.1 28.4 7.9 2 17 A V B +A 171 0A 6 169,-2.7 169,-2.1 1,-0.2 123,-0.1 -0.830 360.0 11.2 -96.9 132.7 22.8 27.2 10.6 3 18 A G S S+ 0 0 44 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.711 103.6 116.6 78.8 15.3 19.6 29.3 11.2 4 19 A G - 0 0 32 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.060 57.1-120.6 -94.4-158.7 20.0 31.2 7.9 5 20 A Y E -B 137 0B 99 132,-2.1 132,-2.9 -2,-0.1 2,-0.5 -0.944 35.6 -84.0-144.0 158.8 18.1 31.6 4.7 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.526 49.1-127.6 -68.8 118.9 18.7 31.0 1.1 7 22 A a - 0 0 3 128,-2.2 3,-0.1 -2,-0.5 128,-0.1 -0.364 30.2 -95.0 -59.2 151.8 20.4 34.0 -0.4 8 23 A A > - 0 0 67 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.443 61.3 -84.4 -58.7 135.1 19.0 35.6 -3.5 9 24 A A T 3 S- 0 0 57 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.213 108.8 -6.2 -49.8 126.1 20.8 34.1 -6.5 10 25 A N T 3 S+ 0 0 30 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.629 93.9 125.3 64.6 16.2 24.1 36.0 -7.1 11 26 A S S < S+ 0 0 63 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.503 72.2 53.0 -80.7 -9.6 23.3 38.6 -4.5 12 27 A I S > S+ 0 0 10 -4,-0.3 3,-2.0 1,-0.1 -1,-0.2 -0.698 71.6 169.5-120.7 65.3 26.6 37.9 -2.8 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.613 71.1 57.2 -70.4 -13.4 28.8 38.4 -5.9 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.1 88,-0.1 2,-0.4 0.463 82.9 106.2 -88.0 -8.6 32.1 38.3 -3.9 15 30 A Q E < -J 28 0C 4 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.578 49.9-175.0 -76.3 128.2 31.4 34.9 -2.4 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.1 -2,-0.4 2,-0.4 -0.864 21.5-135.5-116.1 159.9 33.4 32.1 -3.9 17 32 A S E -JK 26 49C 1 32,-2.5 32,-3.0 -2,-0.3 2,-0.5 -0.958 15.8-145.0-106.9 129.0 33.5 28.3 -3.4 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.7 -2,-0.4 7,-1.1 -0.901 24.1-167.7 -94.6 129.1 36.9 26.6 -3.0 19 34 A N E +JK 23 47C 16 28,-2.9 28,-2.8 -2,-0.5 4,-0.2 -0.957 31.5 168.8-127.5 127.5 36.8 23.2 -4.7 20 37 A S S S- 0 0 65 2,-2.1 2,-0.3 -2,-0.4 26,-0.0 -0.754 97.3 -43.6-130.7 80.0 39.1 20.2 -4.5 21 38 A G S S+ 0 0 78 -2,-0.2 2,-0.3 26,-0.0 -2,-0.1 -0.116 141.4 21.4 85.6 -33.6 36.8 17.7 -6.2 22 39 A S S S- 0 0 79 -2,-0.3 -2,-2.1 -4,-0.1 2,-0.2 -0.941 105.1 -73.8-147.9 164.9 34.0 19.1 -4.0 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.431 51.9 159.9 -57.2 133.7 33.3 22.3 -2.2 24 41 A F E - 0 0 34 -6,-2.7 2,-0.3 1,-0.4 151,-0.3 0.592 58.0 -2.4-129.3 -19.8 35.4 22.5 1.0 25 42 A b E -J 18 0C 6 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.974 62.6-117.0-160.9 166.7 35.5 26.2 2.1 26 43 A G E -J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.456 25.8-180.0-100.3 177.6 34.4 29.7 1.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.1 2,-0.4 -0.942 22.2-119.6-161.9 175.8 36.4 32.8 0.2 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.6 -0.997 19.6-127.9-129.5 133.6 35.9 36.4 -0.9 29 46 A L E + L 0 35C 0 -15,-2.1 74,-1.9 -2,-0.4 6,-0.2 -0.649 36.3 162.9 -79.6 117.4 37.0 38.1 -4.1 30 47 A I E + 0 0 19 4,-2.2 2,-0.3 -2,-0.6 75,-0.2 0.479 67.7 15.7-121.2 -4.3 39.0 41.2 -3.0 31 48 A N E > S- L 0 34C 45 3,-1.4 3,-1.4 73,-0.1 -1,-0.3 -0.938 88.1-100.5-155.6 159.0 40.8 42.0 -6.2 32 49 A S T 3 S+ 0 0 40 -2,-0.3 62,-3.1 1,-0.3 60,-0.1 0.819 126.1 30.6 -54.2 -26.6 40.2 40.7 -9.8 33 50 A Q T 3 S+ 0 0 69 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.341 113.6 70.8-114.4 6.4 43.1 38.2 -9.3 34 51 A W E < -LM 31 89C 3 -3,-1.4 -4,-2.2 55,-0.2 -3,-1.4 -0.987 48.0-171.3-139.1 136.0 42.9 37.5 -5.5 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.7 -2,-0.4 2,-0.4 -0.893 16.2-147.3-111.9 139.5 40.6 35.7 -3.1 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.4 -2,-0.4 51,-0.2 -0.913 31.9 146.4-108.2 137.7 40.9 35.9 0.7 37 54 A S E - M 0 86C 0 49,-2.8 49,-1.9 -2,-0.4 2,-0.4 -0.637 49.4 -66.0-148.2-166.5 40.0 32.9 2.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.3 -0.855 29.6-136.7 -99.5 135.7 41.1 31.1 6.1 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.2 -1,-0.1 0.813 103.7 66.8 -61.6 -28.7 44.5 29.4 6.5 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.2 41,-0.1 137,-0.0 0.629 94.3 62.5 -70.2 -13.7 42.9 26.4 8.2 41 58 A b G < S+ 0 0 1 -3,-1.4 -1,-0.3 -15,-0.1 -2,-0.2 0.426 78.2 143.3 -75.1 -8.5 41.3 25.8 4.8 42 59 A Y < + 0 0 114 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.1 -0.112 17.1 162.9 -50.6 135.7 44.7 25.2 3.1 43 60 A K - 0 0 78 1,-0.0 -2,-0.0 0, 0.0 3,-0.0 -0.942 42.3-126.8-136.1 152.0 45.0 22.6 0.4 44 61 A S S S+ 0 0 82 -2,-0.3 2,-0.4 1,-0.1 26,-0.1 0.777 99.2 39.1 -75.1 -20.3 47.9 22.6 -2.0 45 62 A R S S+ 0 0 192 2,-0.0 2,-0.3 21,-0.0 -1,-0.1 -0.993 72.5 169.9-129.8 133.6 45.6 22.5 -5.1 46 63 A I - 0 0 8 -2,-0.4 21,-2.7 21,-0.2 2,-0.5 -0.991 23.7-153.9-146.1 132.3 42.4 24.6 -5.2 47 64 A Q E -KN 19 66C 46 -28,-2.8 -28,-2.9 -2,-0.3 2,-0.5 -0.932 20.8-143.2-103.7 127.9 39.9 25.5 -7.9 48 65 A V E -KN 18 65C 0 17,-2.6 17,-2.7 -2,-0.5 2,-0.6 -0.837 10.0-160.1 -93.1 125.6 38.1 28.7 -7.3 49 66 A R E -KN 17 64C 50 -32,-3.0 -32,-2.5 -2,-0.5 3,-0.3 -0.944 14.9-179.9-112.6 108.7 34.4 28.8 -8.3 50 67 A L E + N 0 63C 2 13,-3.0 13,-2.2 -2,-0.6 -34,-0.1 -0.730 59.6 32.0-101.7 160.7 33.1 32.3 -8.8 51 69 A G S S+ 0 0 4 -36,-0.5 2,-0.3 -38,-0.3 10,-0.2 0.702 85.0 150.1 72.6 16.8 29.5 33.4 -9.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.582 23.5 152.0 -86.8 148.7 27.9 30.3 -8.1 53 71 A H S S+ 0 0 15 1,-0.3 82,-1.1 -2,-0.3 2,-0.8 0.507 83.5 35.6-120.2 -64.1 24.5 30.0 -6.5 54 72 A N B > -P 134 0D 27 3,-0.2 3,-1.1 80,-0.2 -1,-0.3 -0.852 69.6-168.0 -89.1 107.2 23.8 26.2 -7.0 55 73 A I T 3 S+ 0 0 27 78,-2.3 -1,-0.1 -2,-0.8 79,-0.1 0.588 85.0 56.7 -71.6 -10.0 27.2 24.6 -6.5 56 74 A D T 3 S+ 0 0 111 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.479 105.7 51.8-101.4 -3.3 25.7 21.3 -7.9 57 75 A V S < S- 0 0 76 -3,-1.1 2,-0.9 76,-0.2 -4,-0.2 -0.999 77.6-126.0-136.7 135.9 24.5 22.6 -11.2 58 76 A L + 0 0 130 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.700 34.0 169.5 -75.7 102.4 26.1 24.6 -14.0 59 77 A E - 0 0 109 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.487 51.7-109.1-100.0 -8.5 23.6 27.6 -14.3 60 78 A G S S+ 0 0 63 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 -0.052 100.3 83.0 115.4 -25.3 25.9 29.6 -16.7 61 79 A N + 0 0 65 -10,-0.2 2,-0.1 2,-0.0 38,-0.0 0.319 67.3 116.2 -84.6 -1.5 27.2 32.6 -14.6 62 80 A E - 0 0 29 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.445 47.5-163.3 -73.8 149.8 30.0 30.6 -13.1 63 81 A Q E -N 50 0C 35 -13,-2.2 -13,-3.0 -2,-0.1 2,-0.6 -0.991 6.1-162.1-125.3 121.9 33.8 31.2 -13.6 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.935 18.7 168.3-104.6 118.2 36.0 28.3 -12.7 65 83 A I E -N 48 0C 13 -17,-2.7 -17,-2.6 -2,-0.6 2,-0.1 -0.994 29.3-127.3-136.2 129.4 39.6 29.5 -12.3 66 84 A N E -N 47 0C 93 -2,-0.4 25,-2.7 -19,-0.2 2,-0.4 -0.399 29.4-105.5 -73.1 150.1 42.5 27.5 -10.7 67 85 A A E -O 90 0C 24 -21,-2.7 -21,-0.2 23,-0.2 23,-0.2 -0.629 30.5-176.2 -71.8 127.9 44.6 28.8 -7.9 68 86 A A E S+ 0 0 59 21,-3.3 2,-0.3 -2,-0.4 22,-0.2 0.742 74.2 17.5 -91.8 -37.6 48.1 29.9 -9.2 69 87 A K E -O 89 0C 73 20,-1.2 20,-2.6 2,-0.0 2,-0.4 -0.989 61.2-165.3-138.6 141.7 49.5 30.8 -5.7 70 88 A I E -O 88 0C 38 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.998 12.7-176.8-129.2 120.9 48.3 29.9 -2.2 71 89 A I E -O 87 0C 46 16,-2.7 16,-2.8 -2,-0.4 2,-0.2 -0.943 7.8-162.2-129.1 108.4 49.8 32.1 0.6 72 90 A T E -O 86 0C 55 -2,-0.4 14,-0.2 14,-0.3 12,-0.1 -0.607 41.6 -89.1 -85.2 148.3 49.0 31.4 4.2 73 91 A H > - 0 0 19 12,-2.4 3,-2.1 10,-0.3 -1,-0.1 -0.351 35.2-131.1 -56.0 133.1 49.7 34.1 6.8 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.754 106.3 47.2 -61.9 -22.6 53.3 33.5 8.0 75 93 A N T 3 S+ 0 0 109 8,-0.1 2,-0.1 2,-0.1 9,-0.1 0.202 77.0 139.3-107.0 17.7 52.1 33.7 11.6 76 94 A F < - 0 0 62 -3,-2.1 2,-0.5 7,-0.1 7,-0.2 -0.383 37.3-159.6 -54.1 130.6 49.1 31.4 11.3 77 95 A N > - 0 0 71 5,-1.8 4,-2.0 -2,-0.1 5,-0.2 -0.983 10.9-157.2-119.1 119.2 49.0 29.3 14.4 78 96 A G T 4 S+ 0 0 55 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.605 91.3 49.8 -74.1 -13.0 47.0 26.0 14.1 79 97 A N T 4 S+ 0 0 139 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.920 123.9 24.1 -85.7 -58.8 46.4 25.8 17.8 80 98 A T T 4 S- 0 0 65 2,-0.1 -2,-0.2 1,-0.1 77,-0.2 0.655 94.3-135.5 -83.4 -15.7 45.2 29.2 18.7 81 99 A L >< + 0 0 35 -4,-2.0 3,-0.8 1,-0.2 -3,-0.1 0.500 47.0 159.4 59.2 17.8 43.9 29.9 15.2 82 100 A D T 3 + 0 0 34 1,-0.2 -5,-1.8 -5,-0.2 -1,-0.2 -0.350 65.0 17.9 -64.0 140.2 45.5 33.4 15.4 83 101 A N T 3 S+ 0 0 18 1,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.883 77.0 176.3 60.7 44.9 46.1 34.9 12.0 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.456 34.8 117.2 -80.2 78.5 43.6 32.5 10.3 85 103 A I + 0 0 0 -2,-2.1 -12,-2.4 -47,-0.3 2,-0.3 -0.996 36.6 179.5-151.8 143.7 43.9 34.1 6.8 86 104 A M E -MO 37 72C 0 -49,-1.9 -49,-2.8 -2,-0.3 2,-0.4 -0.992 16.1-143.3-147.2 143.2 45.1 33.0 3.4 87 105 A L E -MO 36 71C 0 -16,-2.8 -16,-2.7 -2,-0.3 2,-0.5 -0.899 9.7-162.3-111.5 142.2 45.4 34.6 0.0 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.3 -2,-0.4 2,-0.5 -0.977 7.6-151.3-123.5 119.8 44.8 32.8 -3.3 89 107 A K E -MO 34 69C 34 -20,-2.6 -21,-3.3 -2,-0.5 -20,-1.2 -0.799 20.6-129.8 -89.3 127.2 46.0 34.2 -6.5 90 108 A L E - 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