==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JAN-04 1S83 . 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) . 9349.0 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 . 14 6.3 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 . 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 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 121.4 25.3 28.3 7.9 2 17 A V B +A 171 0A 8 169,-2.6 169,-2.0 1,-0.2 123,-0.1 -0.866 360.0 11.4 -99.4 136.1 22.8 27.2 10.7 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.689 102.6 117.2 75.1 20.8 19.7 29.2 11.2 4 19 A G - 0 0 32 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.051 57.8-121.3 -97.1-161.4 20.2 31.2 8.0 5 20 A Y E -B 137 0B 101 132,-2.2 132,-2.9 -3,-0.1 2,-0.5 -0.933 35.8 -86.4-141.6 159.8 18.2 31.6 4.8 6 21 A T E -B 136 0B 69 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.600 46.9-127.0 -73.9 123.5 18.9 31.0 1.2 7 22 A a - 0 0 4 128,-2.2 3,-0.1 -2,-0.5 128,-0.1 -0.390 29.7 -96.7 -60.5 152.0 20.6 34.0 -0.4 8 23 A A > - 0 0 68 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.417 61.7 -82.1 -61.5 140.6 19.1 35.5 -3.6 9 24 A A T 3 S- 0 0 57 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.231 109.8 -6.2 -56.0 129.0 21.1 34.1 -6.5 10 25 A N T 3 S+ 0 0 34 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.649 92.4 126.5 61.7 18.4 24.4 36.0 -7.0 11 26 A S S < S+ 0 0 62 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.545 72.9 52.6 -78.9 -9.7 23.5 38.6 -4.4 12 27 A I S > S+ 0 0 9 -4,-0.3 3,-2.1 87,-0.1 -1,-0.2 -0.717 72.3 170.1-118.4 67.5 26.8 37.9 -2.7 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.633 70.8 56.3 -71.0 -10.5 29.0 38.4 -5.8 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.471 83.0 107.0 -89.7 -9.2 32.3 38.4 -3.9 15 30 A Q E < -J 28 0C 4 -3,-2.1 36,-0.5 13,-0.2 37,-0.4 -0.575 49.6-174.8 -75.8 130.8 31.6 34.9 -2.4 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.1 -2,-0.4 2,-0.5 -0.861 21.7-134.9-117.9 159.9 33.6 32.1 -3.8 17 32 A S E -JK 26 49C 1 32,-2.4 32,-2.8 -2,-0.3 2,-0.5 -0.967 16.0-144.9-106.2 130.0 33.6 28.3 -3.4 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.7 -2,-0.5 7,-1.2 -0.854 23.5-165.4 -96.1 125.9 37.1 26.7 -3.0 19 34 A N E +JK 23 47C 16 28,-2.8 28,-2.7 -2,-0.5 4,-0.2 -0.957 31.4 167.9-124.1 131.8 36.9 23.3 -4.6 20 37 A S S S- 0 0 71 2,-2.3 3,-0.1 -2,-0.4 -1,-0.1 -0.189 96.9 -45.9-127.7 36.9 39.3 20.3 -4.4 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 -0.201 141.5 24.8 111.6 -32.1 37.0 17.7 -6.1 22 39 A S S S- 0 0 87 -4,-0.0 -2,-2.3 0, 0.0 2,-0.1 -0.947 105.8 -76.4-146.3 163.5 34.2 19.1 -3.9 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.431 52.8 160.0 -57.7 134.7 33.4 22.3 -2.1 24 41 A F E + 0 0 37 -6,-2.7 2,-0.3 1,-0.4 151,-0.3 0.564 56.8 1.6-132.2 -20.1 35.5 22.5 1.0 25 42 A b E -J 18 0C 6 -7,-1.2 -7,-3.0 151,-0.1 -1,-0.4 -0.987 61.6-119.0-160.0 163.8 35.7 26.2 2.1 26 43 A G E +J 17 0C 1 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.459 26.7 176.0 -95.6 177.2 34.6 29.7 1.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.953 24.1-118.5-167.9 176.1 36.6 32.8 0.3 28 45 A S E -JL 15 36C 0 8,-2.2 8,-2.6 -2,-0.3 2,-0.6 -0.992 19.1-128.6-129.7 128.7 36.1 36.4 -0.8 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.0 -2,-0.4 6,-0.2 -0.701 35.3 163.2 -77.6 119.0 37.2 38.1 -4.0 30 47 A I E + 0 0 21 4,-2.3 2,-0.3 -2,-0.6 75,-0.2 0.481 67.4 15.3-118.6 -4.0 39.1 41.3 -2.9 31 48 A N E > S- L 0 34C 50 3,-1.4 3,-1.2 70,-0.1 -1,-0.3 -0.950 87.2-100.5-156.8 159.2 40.9 42.0 -6.2 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.1 1,-0.3 60,-0.1 0.777 126.1 31.6 -54.6 -28.8 40.4 40.7 -9.8 33 50 A Q T 3 S+ 0 0 70 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.390 112.9 69.9-107.9 -1.0 43.4 38.3 -9.2 34 51 A W E < -LM 31 89C 3 -3,-1.2 -4,-2.3 55,-0.2 -3,-1.4 -0.983 47.0-173.1-135.8 136.2 43.1 37.6 -5.4 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.8 -2,-0.4 2,-0.4 -0.922 16.6-147.7-113.4 139.8 40.8 35.7 -3.0 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.2 -2,-0.4 51,-0.2 -0.900 31.4 147.0-108.5 138.7 41.2 35.9 0.8 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.1 -2,-0.4 2,-0.4 -0.655 48.8 -64.3-146.8-165.5 40.3 32.9 2.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.819 29.8-135.9 -97.6 139.2 41.3 31.1 6.1 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.842 104.6 65.3 -62.8 -26.6 44.7 29.5 6.6 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.671 94.6 62.0 -73.5 -10.7 43.1 26.5 8.2 41 58 A b G < S+ 0 0 1 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.434 77.5 141.8 -81.9 -6.4 41.5 25.9 4.8 42 59 A Y < + 0 0 112 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.1 -0.085 17.5 163.5 -47.7 134.7 44.9 25.4 3.1 43 60 A K - 0 0 79 1,-0.0 -2,-0.0 3,-0.0 3,-0.0 -0.941 42.8-126.1-138.4 152.2 45.3 22.7 0.5 44 61 A S S S+ 0 0 65 -2,-0.3 2,-0.4 1,-0.1 26,-0.1 0.731 99.4 38.9 -75.6 -19.3 48.2 22.6 -2.0 45 62 A R S S+ 0 0 196 2,-0.0 2,-0.3 -25,-0.0 -1,-0.1 -0.998 71.7 168.1-131.1 131.6 45.8 22.6 -5.0 46 63 A I - 0 0 8 -2,-0.4 21,-2.8 21,-0.2 2,-0.5 -0.985 24.4-153.4-145.2 135.9 42.6 24.6 -5.2 47 64 A Q E -KN 19 66C 46 -28,-2.7 -28,-2.8 -2,-0.3 2,-0.5 -0.933 20.6-143.5-105.9 127.6 40.1 25.5 -7.9 48 65 A V E -KN 18 65C 0 17,-2.7 17,-2.8 -2,-0.5 2,-0.6 -0.800 10.1-160.1 -91.0 128.0 38.3 28.8 -7.2 49 66 A R E -KN 17 64C 52 -32,-2.8 -32,-2.4 -2,-0.5 3,-0.3 -0.931 14.0-177.6-115.0 109.8 34.6 28.9 -8.3 50 67 A L E + N 0 63C 2 13,-2.9 13,-2.1 -2,-0.6 -34,-0.1 -0.673 60.1 30.4-100.3 161.4 33.2 32.4 -8.7 51 69 A G S S+ 0 0 4 -36,-0.5 2,-0.3 -38,-0.3 10,-0.2 0.729 84.8 152.3 65.2 20.9 29.7 33.5 -9.7 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.614 23.2 152.4 -82.9 145.1 28.1 30.4 -8.0 53 71 A H S S+ 0 0 17 4,-0.3 82,-0.9 -2,-0.3 2,-0.9 0.453 82.9 34.3-119.7 -65.6 24.7 30.0 -6.5 54 72 A N B > -P 134 0D 27 3,-0.2 3,-1.3 80,-0.2 -1,-0.3 -0.829 68.9-168.2 -85.4 107.9 24.0 26.3 -7.0 55 73 A I T 3 S+ 0 0 26 78,-2.3 -1,-0.1 -2,-0.9 79,-0.1 0.581 86.9 54.3 -76.1 -5.9 27.5 24.6 -6.5 56 74 A D T 3 S+ 0 0 111 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.464 106.8 55.2-101.9 -4.7 25.9 21.3 -7.9 57 75 A V S < S- 0 0 76 -3,-1.3 2,-0.9 76,-0.2 -4,-0.3 -0.996 76.6-131.6-135.2 133.5 24.6 22.8 -11.1 58 76 A L + 0 0 119 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.704 33.0 171.7 -79.8 101.3 26.3 24.8 -13.9 59 77 A E - 0 0 104 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.558 51.9-101.5 -98.2 -9.7 23.8 27.7 -14.2 60 78 A G S S+ 0 0 56 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 -0.171 104.4 77.8 125.8 -39.0 25.9 29.9 -16.6 61 79 A N + 0 0 53 -10,-0.2 2,-0.1 2,-0.0 -9,-0.1 0.346 66.5 116.7 -87.6 -3.6 27.4 32.7 -14.5 62 80 A E - 0 0 25 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.398 44.5-165.0 -68.3 149.4 30.3 30.6 -13.0 63 81 A Q E -N 50 0C 33 -13,-2.1 -13,-2.9 -2,-0.1 2,-0.6 -0.990 7.1-161.9-127.4 121.0 34.0 31.3 -13.6 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.941 18.3 168.2-105.1 120.4 36.2 28.4 -12.6 65 83 A I E -N 48 0C 15 -17,-2.8 -17,-2.7 -2,-0.6 -2,-0.1 -0.993 29.4-126.7-138.4 127.7 39.8 29.5 -12.2 66 84 A N E -N 47 0C 92 -2,-0.4 25,-2.7 -19,-0.2 2,-0.4 -0.357 29.4-107.4 -71.5 148.6 42.7 27.5 -10.6 67 85 A A E -O 90 0C 23 -21,-2.8 23,-0.2 23,-0.2 -21,-0.2 -0.651 29.3-175.5 -70.2 129.6 44.8 28.9 -7.8 68 86 A A E S+ 0 0 62 21,-3.3 2,-0.3 -2,-0.4 22,-0.2 0.729 74.2 18.8 -93.0 -33.6 48.3 29.9 -9.0 69 87 A K E -O 89 0C 79 20,-1.3 20,-2.2 2,-0.0 2,-0.4 -0.990 60.5-167.5-139.6 142.6 49.7 30.9 -5.6 70 88 A I E -O 88 0C 36 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.984 12.8-177.3-136.1 112.6 48.4 30.0 -2.1 71 89 A I E -O 87 0C 44 16,-2.9 16,-2.7 -2,-0.4 2,-0.3 -0.948 8.8-160.6-124.9 106.4 50.0 32.1 0.7 72 90 A T E -O 86 0C 53 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.618 41.4 -87.7 -81.2 151.7 49.2 31.5 4.3 73 91 A H > - 0 0 17 12,-2.4 3,-2.0 10,-0.3 -1,-0.1 -0.309 35.5-130.6 -57.3 131.5 49.9 34.2 6.9 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.764 106.6 46.3 -61.0 -22.2 53.5 33.6 8.1 75 93 A N T 3 S+ 0 0 108 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.193 77.4 140.4-109.1 18.0 52.3 33.8 11.7 76 94 A F < - 0 0 62 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.373 36.1-160.1 -54.9 131.0 49.3 31.5 11.4 77 95 A N > - 0 0 74 5,-2.0 4,-2.0 1,-0.1 5,-0.3 -0.978 9.0-159.9-118.2 115.1 49.2 29.3 14.6 78 96 A G T 4 S+ 0 0 57 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.547 89.7 51.1 -74.8 -7.5 47.1 26.1 14.0 79 97 A N T 4 S+ 0 0 141 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.902 123.8 23.7 -86.9 -60.9 46.6 25.7 17.8 80 98 A T T 4 S- 0 0 67 2,-0.1 -2,-0.2 1,-0.1 77,-0.2 0.657 96.3-133.9 -81.7 -12.8 45.3 29.1 18.8 81 99 A L >< + 0 0 33 -4,-2.0 3,-0.9 1,-0.2 -3,-0.1 0.512 47.9 159.4 61.2 16.1 44.0 29.9 15.3 82 100 A D T 3 + 0 0 35 -5,-0.3 -5,-2.0 1,-0.2 -1,-0.2 -0.368 64.8 16.6 -64.1 141.3 45.7 33.4 15.6 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.869 77.6 176.0 57.8 48.1 46.3 34.9 12.1 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.488 34.2 117.3 -82.7 78.7 43.9 32.5 10.4 85 103 A I + 0 0 0 -2,-2.1 -12,-2.4 -47,-0.3 2,-0.3 -0.998 36.6 179.3-150.5 144.7 44.1 34.1 7.0 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.8 -2,-0.3 2,-0.4 -0.995 16.1-143.6-149.3 145.0 45.3 33.1 3.5 87 105 A L E -MO 36 71C 0 -16,-2.7 -16,-2.9 -2,-0.3 2,-0.5 -0.924 9.7-162.6-114.5 140.4 45.6 34.7 0.1 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.5 -2,-0.4 2,-0.5 -0.984 7.7-151.0-124.7 121.8 45.0 32.9 -3.2 89 107 A K E -MO 34 69C 36 -20,-2.2 -21,-3.3 -2,-0.5 -20,-1.3 -0.813 21.0-129.0 -90.2 129.8 46.2 34.3 -6.5 90 108 A L E - 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