==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JAN-06 2FMJ . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR M.J.PAGE,E.DI CERA . 222 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 32.0 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 8.1 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 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 2 5 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 0 1 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 V 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 128.8 9.3 14.1 6.4 2 17 A V B +A 165 0A 20 163,-3.1 163,-1.8 1,-0.2 117,-0.1 -0.869 360.0 15.8-106.3 137.2 6.5 11.7 7.2 3 18 A G S S+ 0 0 52 115,-0.5 129,-0.3 -2,-0.4 -1,-0.2 0.805 102.0 112.4 74.9 27.9 6.7 9.1 10.1 4 19 A G - 0 0 32 -3,-0.4 2,-0.3 127,-0.1 127,-0.2 -0.371 58.0-124.1-116.6-165.2 9.7 10.8 11.7 5 20 A T E -B 130 0B 89 125,-2.1 125,-2.8 -2,-0.1 2,-0.2 -0.855 41.6 -75.0-135.3 170.8 10.6 12.7 14.9 6 21 A R E -B 129 0B 161 -2,-0.3 123,-0.3 123,-0.2 2,-0.2 -0.517 42.9-131.2 -74.3 134.9 12.1 16.2 15.6 7 22 A A - 0 0 6 121,-2.6 2,-0.2 -2,-0.2 121,-0.1 -0.598 27.8-117.7 -78.8 144.0 15.8 16.5 15.0 8 23 A A > - 0 0 57 -2,-0.2 3,-2.4 1,-0.1 4,-0.5 -0.533 36.3 -87.7 -81.7 154.0 17.7 18.1 17.9 9 24 A Q T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.2 45,-0.1 -0.364 116.6 14.3 -57.2 130.6 19.5 21.4 17.6 10 25 A G T 3 S+ 0 0 47 2,-0.1 -1,-0.3 -3,-0.1 4,-0.1 0.340 94.3 110.9 84.1 -5.9 23.0 20.6 16.4 11 26 A E S < S+ 0 0 68 -3,-2.4 -2,-0.1 1,-0.3 3,-0.1 0.922 94.2 14.5 -67.5 -44.4 22.3 17.0 15.4 12 27 A F S > S+ 0 0 10 -4,-0.5 3,-2.0 1,-0.1 -1,-0.3 -0.652 74.9 170.8-129.6 77.8 22.7 17.5 11.6 13 28 A P T 3 + 0 0 30 0, 0.0 40,-0.5 0, 0.0 -1,-0.1 0.666 69.2 68.8 -67.3 -14.8 24.4 20.8 11.5 14 29 A F T 3 S+ 0 0 7 82,-0.1 12,-1.9 -3,-0.1 2,-0.2 0.498 76.1 110.0 -80.3 -5.1 25.1 20.5 7.8 15 30 A M E < -J 25 0C 7 -3,-2.0 38,-0.4 10,-0.2 2,-0.3 -0.459 45.8-176.2 -75.0 139.9 21.4 20.8 6.9 16 31 A V E -J 24 0C 0 8,-2.4 8,-1.4 -2,-0.2 2,-0.5 -0.978 21.5-137.2-134.8 150.4 20.1 24.0 5.2 17 32 A R E -JK 23 51C 29 34,-2.3 34,-3.1 -2,-0.3 2,-0.4 -0.920 20.7-148.9-104.3 130.2 16.7 25.3 4.2 18 33 A L E >> -JK 22 50C 0 4,-3.2 3,-1.8 -2,-0.5 4,-1.3 -0.819 19.5-120.9-101.3 142.9 16.5 26.9 0.8 19 34 A S T 34 S+ 0 0 73 30,-2.3 31,-0.1 -2,-0.4 -1,-0.1 0.580 104.5 63.0 -60.4 -16.5 14.1 29.6 0.1 20 35 A M T 34 S- 0 0 75 29,-0.1 -1,-0.3 18,-0.1 149,-0.0 0.317 127.5 -86.7 -93.3 12.6 12.1 28.0 -2.8 21 41 A G T <4 S+ 0 0 26 -3,-1.8 2,-0.3 1,-0.3 150,-0.3 0.889 92.0 114.4 88.9 39.2 11.0 25.2 -0.4 22 42 A a E < -J 18 0C 9 -4,-1.3 -4,-3.2 148,-0.1 -1,-0.3 -0.893 55.4-130.3-132.6 166.6 13.8 22.7 -0.7 23 43 A G E +J 17 0C 0 148,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.545 25.8 176.9-106.9 175.1 16.5 21.4 1.6 24 44 A G E -J 16 0C 0 -8,-1.4 -8,-2.4 -2,-0.2 2,-0.3 -0.952 22.7-121.5-164.4 174.5 20.2 21.1 1.0 25 45 A A E -JL 15 33C 0 8,-2.2 8,-2.8 -2,-0.3 2,-1.2 -0.956 29.0-110.8-128.6 147.5 23.5 20.1 2.6 26 46 A L E + L 0 32C 0 -12,-1.9 71,-2.5 -2,-0.3 6,-0.2 -0.676 36.9 172.2 -78.0 99.4 26.6 22.1 3.3 27 47 A Y E S- 0 0 58 4,-2.0 2,-0.3 -2,-1.2 -1,-0.2 0.837 83.2 -0.6 -72.8 -38.5 29.0 20.5 0.9 28 48 A A E > S- L 0 31C 27 3,-2.0 3,-1.6 -3,-0.2 -1,-0.3 -0.907 93.5 -97.2-137.9 165.7 31.4 23.3 1.8 29 49 A Q T 3 S+ 0 0 69 -2,-0.3 63,-2.6 1,-0.3 61,-0.1 0.804 128.1 28.6 -59.7 -26.7 30.6 26.1 4.2 30 50 A D T 3 S+ 0 0 55 61,-0.3 58,-2.9 1,-0.1 2,-0.4 0.097 111.8 76.4-118.3 23.0 29.7 28.3 1.3 31 51 A I E < -LM 28 87C 15 -3,-1.6 -3,-2.0 56,-0.2 -4,-2.0 -0.950 61.7-161.3-135.6 116.2 28.6 25.6 -1.2 32 52 A V E -LM 26 86C 0 54,-2.8 54,-2.1 -2,-0.4 2,-0.5 -0.832 7.6-150.0 -98.4 131.4 25.2 23.9 -0.8 33 53 A L E +LM 25 85C 0 -8,-2.8 -8,-2.2 -2,-0.5 2,-0.2 -0.873 37.6 141.7 -97.9 125.5 24.5 20.6 -2.5 34 54 A T E - M 0 84C 0 50,-2.8 50,-2.2 -2,-0.5 2,-0.3 -0.701 52.8 -60.9-142.4-165.1 20.8 20.3 -3.5 35 55 A A > - 0 0 0 -12,-0.4 3,-1.1 48,-0.3 48,-0.3 -0.641 31.7-135.5 -90.1 143.8 18.6 19.0 -6.3 36 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.835 105.9 64.0 -60.9 -34.7 18.9 20.3 -9.8 37 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.2 47,-0.0 45,-0.0 0.642 89.2 66.4 -71.8 -10.6 15.1 20.4 -9.9 38 58 A a G < S+ 0 0 15 -3,-1.1 -1,-0.3 -15,-0.1 2,-0.2 0.602 106.1 45.8 -82.0 -8.2 15.0 23.0 -7.1 39 59 A V S < S- 0 0 23 -3,-1.6 3,-0.1 -4,-0.2 31,-0.0 -0.812 76.9-123.1-131.5 172.4 16.6 25.6 -9.4 40 60 A S - 0 0 109 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.873 68.9 -78.0 -83.2 -39.7 16.4 27.0 -12.9 41 60AA G - 0 0 15 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.961 63.5 -37.3 161.9-174.2 19.9 26.5 -14.1 42 60BA S S S+ 0 0 79 -2,-0.3 2,-0.2 30,-0.1 29,-0.2 -0.552 75.1 98.8 -81.8 139.3 23.5 27.7 -14.0 43 60CA G E S-N 70 0C 37 27,-1.9 27,-2.3 -2,-0.2 2,-0.4 -0.807 81.2 -62.7 161.0 161.1 24.2 31.4 -13.8 44 60DA N E +N 69 0C 137 -2,-0.2 2,-0.4 25,-0.2 25,-0.3 -0.560 65.2 173.1 -64.9 122.8 25.1 34.1 -11.3 45 61 A N + 0 0 42 23,-0.7 3,-0.1 -2,-0.4 -2,-0.1 -0.989 29.4 171.5-142.9 132.9 22.0 34.3 -9.1 46 62 A T + 0 0 92 -2,-0.4 -1,-0.1 22,-0.1 22,-0.1 0.107 60.1 91.6-123.4 20.6 21.3 36.1 -6.0 47 63 A S S S+ 0 0 82 19,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.486 70.8 83.7 -96.0 0.8 17.5 35.5 -5.5 48 64 A I - 0 0 16 -3,-0.1 19,-2.2 19,-0.1 2,-0.4 -0.796 59.0-161.4-106.1 143.8 18.0 32.4 -3.3 49 65 A T E - O 0 66C 26 -2,-0.4 -30,-2.3 17,-0.2 2,-0.4 -0.978 4.0-156.0-124.5 139.9 18.6 32.3 0.5 50 66 A A E -KO 18 65C 1 15,-2.7 15,-2.6 -2,-0.4 2,-0.6 -0.943 7.5-156.0-111.8 132.1 20.0 29.4 2.5 51 67 A T E +KO 17 64C 15 -34,-3.1 -34,-2.3 -2,-0.4 13,-0.2 -0.951 23.7 167.1-113.2 120.5 19.1 29.3 6.2 52 68 A G E + O 0 63C 1 11,-2.7 11,-2.4 -2,-0.6 -36,-0.1 -0.667 40.6 51.5-123.9 173.8 21.6 27.4 8.4 53 69 A G S S+ 0 0 13 -40,-0.5 2,-0.3 -38,-0.4 -1,-0.1 0.373 93.6 73.1 86.1 -5.5 22.5 26.8 12.0 54 70 A V - 0 0 14 -39,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.992 54.4-157.7-146.5 151.4 19.1 25.9 13.3 55 71 A V S S+ 0 0 21 -2,-0.3 73,-1.7 1,-0.1 2,-0.7 0.745 93.0 66.5 -90.8 -27.9 16.4 23.2 13.5 56 72 A D B > S-Q 127 0D 29 71,-0.2 3,-2.0 1,-0.2 71,-0.2 -0.840 72.4-157.8 -95.5 110.0 13.8 25.9 14.3 57 73 A L T 3 S+ 0 0 45 69,-2.7 -1,-0.2 -2,-0.7 70,-0.1 0.753 92.1 57.4 -62.3 -19.7 13.4 28.2 11.3 58 75 A Q T 3 S+ 0 0 141 68,-0.3 -1,-0.3 -3,-0.1 69,-0.1 0.577 80.8 122.8 -85.4 -6.2 12.0 30.9 13.6 59 76 A S X - 0 0 37 -3,-2.0 3,-1.9 1,-0.1 -5,-0.0 -0.245 66.1-135.1 -62.7 139.6 15.1 30.9 15.8 60 77 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.633 105.4 64.9 -65.0 -16.4 17.0 34.2 16.3 61 79 A S T 3 S+ 0 0 82 2,-0.1 -1,-0.3 -8,-0.0 -2,-0.1 0.431 74.2 123.2 -85.6 -0.4 20.2 32.1 15.8 62 80 A A < - 0 0 26 -3,-1.9 2,-0.6 -6,-0.1 -9,-0.2 -0.357 54.2-146.6 -61.0 138.8 19.2 31.3 12.2 63 81 A V E -O 52 0C 67 -11,-2.4 -11,-2.7 2,-0.0 2,-0.6 -0.948 12.6-166.9-111.5 117.8 21.9 32.4 9.7 64 82 A K E +O 51 0C 140 -2,-0.6 2,-0.4 -13,-0.2 -13,-0.2 -0.912 9.9 178.2-110.1 120.0 20.4 33.5 6.4 65 83 A V E -O 50 0C 2 -15,-2.6 -15,-2.7 -2,-0.6 2,-0.2 -0.956 22.5-126.9-125.8 140.7 22.9 33.9 3.5 66 84 A R E -O 49 0C 130 -2,-0.4 23,-3.2 -17,-0.2 24,-0.4 -0.565 23.5-118.2 -87.0 149.9 22.3 34.9 -0.1 67 85 A S E - P 0 88C 1 -19,-2.2 21,-0.3 21,-0.3 3,-0.1 -0.403 19.2-171.8 -77.5 158.0 23.4 32.8 -3.2 68 86 A T E S+ 0 0 46 19,-2.8 -23,-0.7 1,-0.5 2,-0.3 0.555 70.6 4.3-121.1 -27.2 25.9 34.3 -5.7 69 87 A K E -NP 44 87C 55 18,-1.1 18,-2.5 -25,-0.3 -1,-0.5 -0.991 57.1-146.0-158.4 154.4 25.7 31.5 -8.3 70 88 A V E -NP 43 86C 5 -27,-2.3 -27,-1.9 -2,-0.3 2,-0.5 -0.975 8.0-168.7-124.8 133.5 23.9 28.4 -9.2 71 89 A L E - P 0 85C 28 14,-3.2 14,-3.1 -2,-0.4 2,-0.3 -0.918 8.4-164.6-125.9 106.6 25.4 25.4 -11.0 72 90 A Q E - P 0 84C 26 -2,-0.5 12,-0.2 12,-0.3 -30,-0.1 -0.648 43.6 -79.7 -87.1 146.0 22.9 22.9 -12.1 73 91 A A > - 0 0 3 10,-2.5 3,-2.4 -2,-0.3 -1,-0.1 -0.079 54.6-106.0 -44.8 128.4 24.3 19.4 -13.1 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.376 107.3 19.9 -59.9 134.9 25.7 19.6 -16.6 75 93 A G T 3 S+ 0 0 59 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.351 87.2 146.9 89.2 -7.8 23.3 17.8 -18.9 76 94 A Y < + 0 0 51 -3,-2.4 -1,-0.3 1,-0.1 5,-0.1 -0.435 4.6 148.0 -66.5 129.9 20.4 18.1 -16.5 77 95 A N S S- 0 0 132 3,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.098 78.5 -70.7-147.5 25.7 17.1 18.4 -18.3 78 96 A G S S+ 0 0 46 2,-0.4 2,-0.4 3,-0.1 3,-0.1 0.442 109.9 88.9 102.5 -1.0 14.6 16.7 -16.0 79 98 A T S S- 0 0 100 1,-0.3 -2,-0.0 2,-0.0 70,-0.0 -0.804 100.7 -41.7-130.7 92.0 15.5 13.0 -16.4 80 100 A G S S+ 0 0 8 -2,-0.4 -2,-0.4 1,-0.1 -3,-0.3 -0.243 99.8 89.2 82.0-176.0 18.2 11.9 -13.9 81 101 A K + 0 0 70 1,-0.2 2,-2.0 -5,-0.1 -8,-0.2 0.845 54.9 173.3 52.6 41.7 21.3 13.9 -12.9 82 102 A D + 0 0 9 71,-0.3 2,-0.3 -47,-0.1 124,-0.2 -0.428 31.1 104.1 -87.1 73.7 19.3 15.6 -10.2 83 103 A W + 0 0 5 -2,-2.0 -10,-2.5 -48,-0.3 2,-0.3 -0.987 37.1 171.9-144.9 153.5 22.0 17.6 -8.4 84 104 A A E -MP 34 72C 0 -50,-2.2 -50,-2.8 -2,-0.3 2,-0.4 -0.983 21.5-135.1-156.3 156.1 23.1 21.2 -8.2 85 105 A L E -MP 33 71C 0 -14,-3.1 -14,-3.2 -2,-0.3 2,-0.5 -0.931 9.7-160.4-115.2 142.9 25.4 23.4 -6.3 86 106 A I E -MP 32 70C 0 -54,-2.1 -54,-2.8 -2,-0.4 2,-0.4 -0.984 12.1-146.6-122.3 118.3 24.6 26.9 -4.9 87 107 A K E -MP 31 69C 54 -18,-2.5 -19,-2.8 -2,-0.5 -18,-1.1 -0.719 18.5-144.5 -83.7 131.6 27.6 29.2 -4.1 88 108 A L E - 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