==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 24-JUL-96 1AKS . COMPND 2 MOLECULE: ALPHA TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR A.JOHNSON,S.KRISHNASWAMY,P.V.SUNDARAM,V.PATTABHI . 223 2 6 3 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9288.0 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 . 71 31.8 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 . 15 6.7 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 . 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 . 5 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 117.2 25.7 28.6 8.0 2 17 A V B +A 172 0A 5 170,-3.6 170,-1.5 1,-0.2 123,-0.1 -0.869 360.0 5.2 -97.8 136.8 23.3 27.5 10.8 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.707 101.5 122.7 68.1 24.0 20.0 29.3 11.1 4 19 A G - 0 0 30 -3,-0.4 2,-0.3 168,-0.1 135,-0.2 -0.102 55.7-116.9 -98.3-162.9 20.5 31.5 8.0 5 20 A Y E -B 138 0B 106 133,-2.1 133,-2.9 -3,-0.1 2,-0.5 -0.895 35.1 -85.7-134.9 163.8 18.5 32.0 4.8 6 21 A T E -B 137 0B 76 -2,-0.3 131,-0.2 131,-0.2 3,-0.1 -0.616 47.4-126.0 -76.4 122.6 19.1 31.3 1.1 7 22 A a - 0 0 3 129,-2.7 129,-0.1 -2,-0.5 3,-0.1 -0.321 28.0 -98.7 -64.6 151.1 20.9 34.2 -0.5 8 23 A A > - 0 0 66 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.397 59.6 -82.5 -66.7 140.5 19.4 35.8 -3.6 9 24 A A T 3 S- 0 0 66 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.295 111.0 -7.1 -53.6 122.5 21.2 34.4 -6.6 10 25 A N T 3 S+ 0 0 28 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.689 91.4 129.6 60.3 30.1 24.5 36.3 -7.1 11 26 A S S < S+ 0 0 57 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.503 73.2 51.2 -86.8 -6.3 23.7 38.8 -4.4 12 27 A I > + 0 0 9 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.527 69.6 168.0-128.2 65.4 27.2 38.1 -2.8 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.576 71.8 58.3 -58.1 -16.9 29.4 38.6 -5.9 14 29 A Y T 3 S+ 0 0 26 86,-0.2 15,-2.1 88,-0.1 2,-0.5 0.486 80.9 108.4 -91.9 -5.8 32.7 38.6 -4.0 15 30 A Q E < -J 28 0C 4 -3,-2.3 37,-0.4 13,-0.2 36,-0.4 -0.632 49.0-175.2 -73.5 120.4 32.0 35.2 -2.5 16 31 A V E -J 27 0C 0 11,-2.0 11,-0.9 -2,-0.5 2,-0.5 -0.731 19.3-135.9-114.2 160.8 34.3 32.4 -4.0 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.2 -2,-0.2 2,-0.5 -0.985 13.4-141.5-117.2 121.6 34.3 28.6 -3.4 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.5 7,-0.9 -0.774 26.7-168.5 -83.1 126.8 37.6 26.9 -2.9 19 34 A N E +JK 23 47C 10 28,-2.9 28,-3.1 -2,-0.5 4,-0.2 -0.965 32.0 162.8-126.7 132.9 37.5 23.5 -4.7 20 37 A S S S- 0 0 44 2,-2.1 3,-0.1 -2,-0.4 -1,-0.1 -0.400 96.6 -43.8-138.4 54.3 39.8 20.6 -4.6 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.302 140.3 21.2 110.9 -45.4 37.5 18.0 -6.2 22 39 A S S S- 0 0 84 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.899 104.4 -77.0-144.8 162.7 34.6 19.3 -4.0 23 40 A H E +J 19 0C 26 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.538 51.8 161.0 -63.8 127.8 33.9 22.6 -2.2 24 41 A F E + 0 0 31 -6,-2.5 2,-0.3 1,-0.4 154,-0.2 0.693 57.9 5.0-120.6 -29.1 36.0 22.7 1.0 25 42 A b E -J 18 0C 9 -7,-0.9 -7,-3.0 152,-0.1 -1,-0.4 -0.938 62.4-121.5-152.2 165.0 36.1 26.4 2.0 26 43 A G E +J 17 0C 1 152,-2.9 12,-0.3 -2,-0.3 2,-0.3 -0.398 28.8 173.9 -98.4-175.9 34.9 29.9 1.2 27 44 A G E -J 16 0C 0 -11,-0.9 -11,-2.0 -2,-0.1 2,-0.4 -0.953 23.6-116.5-176.0 175.2 36.9 32.9 0.3 28 45 A S E -JL 15 36C 1 8,-2.0 8,-2.7 -2,-0.3 2,-0.6 -0.999 15.0-133.0-136.5 139.6 36.5 36.6 -0.9 29 46 A L E + L 0 35C 0 -15,-2.1 74,-1.6 -2,-0.4 6,-0.2 -0.762 32.2 161.7 -89.3 119.6 37.7 38.4 -4.0 30 47 A I S S+ 0 0 21 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.318 70.9 18.1-119.0 7.3 39.4 41.6 -3.1 31 48 A N S S- 0 0 48 3,-1.0 -1,-0.3 70,-0.1 3,-0.2 -0.956 83.1-107.7-170.3 154.6 41.1 42.1 -6.3 32 49 A S S S+ 0 0 40 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.744 124.6 34.2 -68.4 -16.8 40.7 40.7 -9.9 33 50 A Q S S+ 0 0 54 60,-0.2 57,-2.2 1,-0.1 2,-0.4 0.524 113.6 63.4-111.7 -10.2 43.9 38.7 -9.1 34 51 A W E - M 0 89C 4 55,-0.2 -4,-2.1 -3,-0.2 -3,-1.0 -0.976 48.7-171.7-133.2 137.2 43.6 38.0 -5.4 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.5 -2,-0.4 2,-0.4 -0.891 16.0-146.9-117.0 139.9 41.4 36.0 -3.0 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.0 -2,-0.3 51,-0.2 -0.922 31.2 144.8-111.5 142.0 41.6 36.1 0.8 37 54 A S E - M 0 86C 0 49,-2.8 49,-1.5 -2,-0.4 2,-0.5 -0.671 48.9 -60.0-148.8-161.4 40.8 33.1 3.0 38 55 A A > - 0 0 0 -12,-0.3 3,-2.5 47,-0.3 47,-0.3 -0.893 32.0-140.7-100.6 126.7 41.7 31.1 6.2 39 56 A A G > S+ 0 0 4 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.786 102.4 64.0 -57.0 -27.4 45.2 29.7 6.6 40 57 A H G 3 S+ 0 0 72 1,-0.3 -1,-0.3 41,-0.1 138,-0.1 0.407 91.0 68.0 -77.5 2.7 43.7 26.6 8.1 41 58 A b G < S+ 0 0 5 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.348 75.5 144.7 -98.3 -0.3 42.0 25.9 4.8 42 59 A Y < + 0 0 125 -3,-1.5 2,-0.3 -4,-0.1 -3,-0.0 -0.059 15.1 158.8 -49.5 136.5 45.4 25.3 3.1 43 60 A K - 0 0 91 1,-0.0 -2,-0.1 3,-0.0 3,-0.0 -0.933 43.6-129.4-153.2 144.0 45.7 22.7 0.4 44 61 A S S S+ 0 0 101 -2,-0.3 2,-0.5 1,-0.2 -2,-0.0 0.780 99.0 46.7 -73.2 -23.5 48.6 22.6 -2.1 45 62 A R S S+ 0 0 105 -25,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.973 70.8 160.4-123.2 127.5 46.1 22.4 -5.0 46 63 A I - 0 0 5 -2,-0.5 21,-1.9 21,-0.2 2,-0.5 -0.997 26.0-155.4-147.7 139.4 43.0 24.6 -5.1 47 64 A Q E -KN 19 66C 33 -28,-3.1 -28,-2.9 -2,-0.3 2,-0.4 -0.982 19.9-142.3-115.3 125.9 40.6 25.7 -7.8 48 65 A V E -KN 18 65C 0 17,-2.5 17,-2.0 -2,-0.5 2,-0.6 -0.749 12.1-160.8 -89.9 131.1 38.8 29.0 -7.2 49 66 A R E -KN 17 64C 51 -32,-2.2 -32,-2.0 -2,-0.4 3,-0.3 -0.950 12.0-179.9-119.3 114.3 35.1 29.2 -8.3 50 67 A L E + N 0 63C 1 13,-2.2 13,-1.7 -2,-0.6 -34,-0.1 -0.656 60.2 36.2-107.2 161.2 33.6 32.6 -8.8 51 69 A G S S+ 0 0 3 -36,-0.4 2,-0.2 48,-0.3 10,-0.2 0.632 83.7 151.6 71.4 17.1 30.1 33.6 -9.8 52 70 A E + 0 0 12 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.508 21.3 146.7 -85.8 140.9 28.6 30.6 -7.9 53 71 A H S S+ 0 0 20 1,-0.3 2,-0.8 4,-0.3 83,-0.5 0.389 82.5 34.1-126.1 -64.2 25.2 30.3 -6.4 54 72 A N B > S-P 135 0D 35 3,-0.2 3,-1.1 81,-0.2 -1,-0.3 -0.842 70.2-167.1 -94.7 104.6 24.3 26.6 -6.8 55 73 A I T 3 S+ 0 0 35 79,-2.7 -1,-0.1 -2,-0.8 80,-0.1 0.688 83.2 59.0 -68.4 -14.3 27.7 24.8 -6.5 56 74 A D T 3 S+ 0 0 119 78,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.411 104.6 49.4 -96.1 0.8 26.2 21.6 -7.8 57 75 A V S < S- 0 0 82 -3,-1.1 2,-1.1 77,-0.2 -4,-0.3 -0.997 78.0-123.4-142.0 140.2 25.0 22.9 -11.2 58 76 A L + 0 0 130 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.682 31.6 174.6 -82.0 102.9 26.6 24.9 -14.0 59 77 A E - 0 0 69 -2,-1.1 -1,-0.2 -5,-0.2 -7,-0.0 0.513 49.7-111.6 -86.0 -13.7 24.2 27.9 -14.2 60 78 A G S S+ 0 0 64 -3,-0.1 -2,-0.1 0, 0.0 -9,-0.0 -0.054 98.7 88.3 109.4 -30.4 26.4 29.6 -16.7 61 79 A N + 0 0 38 -10,-0.2 2,-0.2 2,-0.0 38,-0.1 0.340 65.6 112.8 -85.4 11.1 27.7 32.6 -14.8 62 80 A E - 0 0 28 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.454 45.5-164.9 -89.9 154.4 30.8 30.8 -13.3 63 81 A Q E -N 50 0C 36 -13,-1.7 -13,-2.2 -2,-0.2 2,-0.6 -0.989 7.0-162.9-136.0 117.5 34.5 31.3 -13.8 64 82 A F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.935 17.1 167.1-106.6 120.7 36.9 28.6 -12.6 65 83 A I E -N 48 0C 18 -17,-2.0 -17,-2.5 -2,-0.6 2,-0.1 -0.994 31.1-125.7-132.4 133.1 40.5 29.6 -12.3 66 84 A N E -N 47 0C 74 -2,-0.4 25,-2.6 -19,-0.2 26,-0.3 -0.479 29.6-108.2 -77.0 152.4 43.2 27.7 -10.6 67 85 A A E -O 90 0C 21 -21,-1.9 23,-0.3 23,-0.2 -21,-0.2 -0.564 26.9-170.8 -76.6 142.9 45.3 29.4 -7.9 68 86 A A E S+ 0 0 59 21,-3.9 2,-0.3 1,-0.4 22,-0.2 0.591 74.2 19.1-106.0 -25.5 48.9 30.1 -9.0 69 87 A K E -O 89 0C 88 20,-1.6 20,-3.1 2,-0.0 2,-0.4 -0.986 60.7-166.6-150.6 136.1 50.2 31.1 -5.6 70 88 A I E -O 88 0C 37 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.994 10.9-175.1-128.0 117.0 48.9 30.4 -2.1 71 89 A I E -O 87 0C 40 16,-3.9 16,-2.9 -2,-0.4 2,-0.1 -0.895 4.3-166.8-122.8 104.1 50.5 32.5 0.7 72 90 A T E -O 86 0C 51 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.491 41.9 -85.4 -82.7 156.1 49.5 31.9 4.3 73 91 A H > - 0 0 21 12,-2.0 3,-2.6 10,-0.3 -1,-0.1 -0.466 33.1-132.3 -64.7 126.7 50.5 34.4 7.0 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.629 106.5 45.8 -53.7 -20.7 54.1 33.7 8.3 75 93 A N T 3 S+ 0 0 111 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.058 77.4 140.5-110.4 18.4 52.9 34.0 11.9 76 94 A F < - 0 0 63 -3,-2.6 2,-0.5 9,-0.1 7,-0.2 -0.490 40.4-152.4 -60.4 135.1 49.8 31.8 11.5 77 95 A N > - 0 0 62 5,-2.2 4,-3.0 -2,-0.1 5,-0.5 -0.945 12.9-161.8-117.8 113.2 49.6 29.6 14.7 78 96 A G T 4 S+ 0 0 52 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.757 91.0 49.5 -63.0 -25.0 47.8 26.2 14.4 79 97 A N T 4 S+ 0 0 153 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.961 126.8 22.3 -77.6 -54.2 47.3 25.9 18.1 80 98 A T T 4 S- 0 0 63 2,-0.1 -2,-0.2 77,-0.0 78,-0.1 0.734 93.5-132.9 -87.3 -20.1 45.8 29.3 18.8 81 99 A L >< + 0 0 37 -4,-3.0 3,-0.8 1,-0.3 2,-0.3 0.715 48.6 161.4 69.9 21.5 44.5 30.0 15.2 82 100 A D T 3 + 0 0 32 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.617 63.8 16.6 -74.4 134.5 46.1 33.5 15.6 83 101 A N T 3 S+ 0 0 17 -2,-0.3 2,-2.0 77,-0.2 -10,-0.3 0.895 78.0 177.1 68.7 44.6 46.7 35.1 12.2 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 76,-0.2 124,-0.2 -0.456 34.1 117.4 -81.9 74.1 44.3 32.7 10.4 85 103 A I - 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