==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUN-03 1UHB . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR V.PATTABHI,B.SYED IBRAHIM,N.SHAMALADEVI . 232 3 6 3 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 60.8 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 . 68 29.3 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 . 1 0.4 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 . 19 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.0 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 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 0 6 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,-0.3 0.000 360.0 360.0 360.0 127.1 19.7 -15.0 44.8 2 17 A V B +A 172 0A 10 170,-2.8 170,-1.6 1,-0.2 123,-0.1 -0.900 360.0 7.3-107.5 136.3 22.4 -14.0 42.3 3 18 A G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.790 102.8 121.0 68.1 28.5 22.9 -15.9 39.1 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 120,-0.1 135,-0.2 -0.258 56.7-116.1-106.9-164.3 19.8 -18.0 39.6 5 20 A Y E -B 138 0B 121 133,-2.7 133,-3.7 -2,-0.1 2,-0.5 -0.911 33.8 -90.9-133.7 161.7 16.5 -18.6 37.7 6 21 A T E -B 137 0B 70 -2,-0.3 131,-0.2 131,-0.2 130,-0.1 -0.624 46.1-126.8 -76.4 120.5 12.9 -17.9 38.4 7 22 A a - 0 0 3 129,-2.0 3,-0.1 -2,-0.5 129,-0.1 -0.315 30.9 -96.0 -65.4 149.9 11.4 -20.9 40.1 8 23 A A > - 0 0 66 1,-0.2 3,-2.2 2,-0.1 4,-0.2 -0.414 62.1 -79.0 -63.4 141.1 8.2 -22.4 38.5 9 24 A A T 3 S- 0 0 61 1,-0.3 -1,-0.2 2,-0.1 44,-0.1 -0.200 111.6 -8.3 -49.4 118.0 5.2 -21.0 40.4 10 25 A N T 3 S+ 0 0 31 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.769 91.1 129.7 64.2 29.4 4.7 -22.8 43.7 11 26 A S S < S+ 0 0 57 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.455 72.2 53.1 -89.7 -0.9 7.4 -25.4 42.9 12 27 A I > + 0 0 10 -4,-0.2 3,-2.1 87,-0.1 -1,-0.3 -0.595 68.9 169.0-130.4 65.3 9.0 -24.8 46.3 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.0 0, 0.0 38,-0.4 0.644 72.2 59.4 -54.5 -22.5 5.9 -25.3 48.5 14 29 A Y T 3 S+ 0 0 27 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.500 81.8 109.1 -87.6 -3.9 7.9 -25.3 51.8 15 30 A Q E < -J 28 0C 4 -3,-2.1 36,-0.5 13,-0.2 37,-0.5 -0.580 47.3-177.7 -77.7 127.1 9.2 -21.7 51.1 16 31 A V E -JK 27 50C 1 11,-1.7 11,-1.1 -2,-0.4 2,-0.5 -0.876 21.0-137.2-125.3 158.2 7.9 -19.0 53.3 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.4 -2,-0.3 2,-0.6 -0.964 12.9-144.3-115.5 124.9 8.3 -15.2 53.4 18 33 A L E -JK 25 48C 0 7,-2.6 6,-2.2 -2,-0.5 7,-1.0 -0.800 28.4-174.1 -89.4 123.7 8.8 -13.5 56.8 19 34 A N E +JK 23 47C 12 28,-3.1 28,-2.9 -2,-0.6 4,-0.2 -0.952 33.1 164.3-128.3 140.2 7.1 -10.1 56.6 20 37 A S S S- 0 0 41 2,-1.4 3,-0.1 -2,-0.4 25,-0.0 -0.365 99.4 -35.5-143.7 54.3 6.8 -7.1 58.9 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.218 141.3 12.0 116.6 -36.6 5.5 -4.5 56.5 22 39 A S S S- 0 0 48 210,-0.2 -2,-1.4 209,-0.1 33,-0.0 -0.970 101.0 -70.7-163.7 156.9 7.6 -6.1 53.8 23 40 A H E +J 19 0C 3 -2,-0.3 -4,-0.2 -4,-0.2 210,-0.2 -0.265 50.0 159.4 -53.8 133.7 9.6 -9.2 53.1 24 41 A F E + 0 0 0 -6,-2.2 206,-0.5 1,-0.5 2,-0.3 0.529 60.9 1.8-130.7 -21.8 12.8 -9.3 55.2 25 42 A b E -J 18 0C 0 -7,-1.0 -7,-2.6 204,-0.1 -1,-0.5 -0.976 64.5-116.2-159.8 167.4 13.9 -12.9 55.3 26 43 A G E -J 17 0C 1 152,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.433 27.1-178.2-102.0 180.0 13.0 -16.4 54.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-1.7 -2,-0.1 2,-0.4 -0.956 20.9-122.8-165.4 175.9 12.0 -19.5 56.1 28 45 A S E -JL 15 36C 1 8,-1.9 8,-2.9 -2,-0.3 2,-0.7 -0.996 15.8-135.2-139.1 130.3 11.1 -23.1 55.7 29 46 A L E + L 0 35C 0 -15,-2.3 74,-1.8 -2,-0.4 6,-0.2 -0.753 33.6 159.5 -85.6 114.3 7.9 -24.9 56.8 30 47 A I + 0 0 22 4,-1.5 2,-0.3 -2,-0.7 5,-0.2 0.424 68.4 22.4-113.4 -1.2 8.8 -28.2 58.4 31 48 A N S S- 0 0 51 3,-1.3 3,-0.5 70,-0.1 -1,-0.3 -0.970 85.4-105.4-159.4 153.3 5.6 -28.7 60.4 32 49 A S S S+ 0 0 44 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.736 123.9 27.9 -58.8 -21.1 2.0 -27.5 60.0 33 50 A Q S S+ 0 0 68 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.453 114.2 70.4-118.2 -4.4 2.6 -25.1 62.9 34 51 A W E - M 0 89C 3 -3,-0.5 -4,-1.5 55,-0.2 -3,-1.3 -0.949 48.1-173.9-127.7 141.9 6.3 -24.5 62.7 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.9 -2,-0.4 2,-0.4 -0.967 14.6-148.8-124.6 138.0 8.7 -22.6 60.5 36 53 A V E +LM 28 87C 6 -8,-2.9 -8,-1.9 -2,-0.4 51,-0.2 -0.910 30.5 144.3-111.3 138.2 12.5 -22.7 60.7 37 54 A S E - M 0 86C 0 49,-3.1 49,-2.6 -2,-0.4 2,-0.3 -0.658 50.1 -61.4-146.0-160.3 14.7 -19.7 59.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.2 -0.783 31.6-135.1-101.0 143.7 17.9 -17.9 60.8 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.800 103.2 63.9 -66.1 -29.4 18.4 -16.3 64.2 40 57 A H G 3 S+ 0 0 49 1,-0.3 -1,-0.3 41,-0.1 189,-0.1 0.557 92.9 65.4 -73.7 -3.2 19.9 -13.1 62.8 41 58 A b G < S+ 0 0 0 -3,-1.4 -1,-0.3 187,-0.1 -2,-0.2 0.404 77.6 144.4 -92.7 -1.1 16.6 -12.5 61.1 42 59 A Y < + 0 0 125 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.1 -0.048 16.0 159.8 -47.7 135.2 15.0 -12.0 64.5 43 60 A K - 0 0 41 1,-0.0 -2,-0.1 3,-0.0 3,-0.0 -0.953 42.4-129.9-151.0 144.5 12.2 -9.5 64.9 44 61 A S S S+ 0 0 100 -2,-0.3 2,-0.5 1,-0.2 -2,-0.0 0.795 98.2 48.1 -71.8 -27.2 9.6 -9.4 67.7 45 62 A R S S+ 0 0 119 -25,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.961 71.8 164.3-117.9 121.6 6.7 -9.1 65.3 46 63 A I - 0 0 2 -2,-0.5 21,-2.9 21,-0.2 2,-0.5 -0.990 24.8-159.6-142.9 133.4 6.5 -11.4 62.3 47 64 A Q E -KN 19 66C 33 -28,-2.9 -28,-3.1 -2,-0.4 2,-0.5 -0.950 20.0-144.1-109.7 125.0 3.9 -12.4 59.8 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.9 -2,-0.5 2,-0.6 -0.758 10.6-160.6 -90.2 128.9 4.6 -15.7 58.0 49 66 A R E -KN 17 64C 52 -32,-2.4 -32,-2.1 -2,-0.5 3,-0.4 -0.932 11.8-176.0-115.5 112.2 3.5 -15.8 54.3 50 67 A L E +KN 16 63C 1 13,-2.4 13,-1.7 -2,-0.6 -34,-0.1 -0.689 61.6 31.4-104.9 158.5 3.0 -19.2 52.8 51 69 A G S S+ 0 0 3 -36,-0.5 10,-0.2 -38,-0.4 -1,-0.2 0.743 85.1 154.2 70.0 23.0 2.2 -20.3 49.3 52 70 A E + 0 0 11 -37,-0.5 -42,-0.2 -3,-0.4 -1,-0.2 -0.463 20.5 147.1 -84.2 154.0 3.9 -17.2 47.9 53 71 A H S S+ 0 0 19 4,-0.2 83,-1.4 -2,-0.1 2,-0.8 0.271 80.4 33.7-143.6 -58.0 5.5 -16.7 44.5 54 72 A N B > -P 135 0D 35 3,-0.3 3,-2.0 81,-0.2 81,-0.2 -0.860 69.6-166.8-107.2 94.5 5.1 -13.1 43.6 55 73 A I T 3 S+ 0 0 22 79,-1.9 -32,-0.1 -2,-0.8 -1,-0.1 0.460 82.7 59.8 -64.5 2.5 5.3 -11.3 47.0 56 74 A D T 3 S+ 0 0 114 78,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.399 104.2 47.8-109.4 2.5 3.9 -8.1 45.4 57 75 A V S < S- 0 0 83 -3,-2.0 -3,-0.3 77,-0.2 2,-0.3 -0.944 79.8-119.5-149.5 125.9 0.6 -9.4 44.2 58 76 A L + 0 0 131 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.437 31.5 175.6 -62.2 121.0 -2.2 -11.5 45.8 59 77 A E - 0 0 73 -2,-0.3 -1,-0.2 -5,-0.1 -7,-0.0 0.649 46.9-111.5-101.3 -23.1 -2.4 -14.6 43.7 60 78 A G S S+ 0 0 64 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.481 100.3 82.1 105.1 4.3 -5.0 -16.5 45.7 61 79 A N + 0 0 49 -10,-0.2 2,-0.1 38,-0.0 38,-0.1 0.352 66.3 113.4-117.1 -0.3 -3.0 -19.3 47.1 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.388 46.8-162.7 -79.3 153.3 -1.4 -17.4 50.0 63 81 A Q E -N 50 0C 36 -13,-1.7 -13,-2.4 -2,-0.1 2,-0.7 -0.970 8.8-160.3-133.0 110.1 -2.0 -18.0 53.7 64 82 A F E +N 49 0C 74 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.869 18.9 171.6 -97.5 112.9 -0.9 -15.1 55.9 65 83 A I E -N 48 0C 11 -17,-2.9 -17,-3.3 -2,-0.7 2,-0.1 -0.984 26.9-130.4-127.1 130.8 -0.4 -16.3 59.4 66 84 A N E -N 47 0C 74 -2,-0.4 25,-2.3 -19,-0.3 26,-0.3 -0.406 30.9-104.9 -75.4 151.1 1.2 -14.3 62.3 67 85 A A E -O 90 0C 25 -21,-2.9 23,-0.3 23,-0.2 -21,-0.2 -0.593 28.6-172.8 -76.5 135.5 3.9 -15.7 64.4 68 86 A A E S+ 0 0 55 21,-3.6 2,-0.3 1,-0.4 22,-0.2 0.792 74.5 13.0 -94.4 -39.1 2.6 -16.8 67.9 69 87 A K E -O 89 0C 83 20,-1.6 20,-2.5 2,-0.0 2,-0.4 -0.993 60.7-161.1-140.0 145.4 6.1 -17.6 69.3 70 88 A I E -O 88 0C 34 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.983 12.2-175.4-129.0 117.0 9.6 -16.9 68.1 71 89 A I E -O 87 0C 54 16,-3.5 16,-3.1 -2,-0.4 2,-0.2 -0.913 4.5-166.9-122.2 108.3 12.4 -19.0 69.5 72 90 A T E -O 86 0C 54 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.604 41.2 -89.3 -87.9 150.2 16.1 -18.3 68.7 73 91 A H > - 0 0 16 12,-1.9 3,-2.2 10,-0.3 -1,-0.1 -0.374 31.1-134.6 -60.9 127.9 18.8 -20.9 69.5 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.777 104.9 49.3 -54.9 -28.4 20.1 -20.3 73.1 75 93 A N T 3 S+ 0 0 107 8,-0.1 7,-0.1 2,-0.1 -2,-0.1 0.330 77.6 138.7 -95.5 7.8 23.7 -20.7 71.9 76 94 A F < - 0 0 60 -3,-2.2 2,-0.6 7,-0.1 7,-0.2 -0.311 40.4-154.4 -55.6 127.0 23.3 -18.3 68.9 77 95 A N > - 0 0 67 5,-2.4 4,-3.1 1,-0.1 5,-0.4 -0.906 9.7-163.3-111.2 108.7 26.5 -16.2 68.7 78 96 A G T 4 S+ 0 0 56 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.698 90.0 50.7 -62.4 -20.1 26.0 -12.8 67.0 79 97 A N T 4 S+ 0 0 139 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.914 125.4 22.3 -83.9 -47.1 29.7 -12.4 66.4 80 98 A T T 4 S- 0 0 53 2,-0.1 -2,-0.2 77,-0.0 78,-0.1 0.615 94.9-132.1 -95.0 -15.9 30.5 -15.8 64.8 81 99 A L >< + 0 0 34 -4,-3.1 3,-0.9 1,-0.3 2,-0.2 0.641 49.4 159.6 70.7 15.1 27.0 -16.5 63.6 82 100 A D T 3 + 0 0 33 -5,-0.4 -5,-2.4 1,-0.2 -1,-0.3 -0.504 63.8 18.8 -71.1 137.3 27.4 -20.0 65.1 83 101 A N T 3 S+ 0 0 16 -7,-0.2 2,-2.3 1,-0.2 -10,-0.3 0.869 76.5 174.1 69.4 40.0 24.0 -21.6 65.7 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 76,-0.2 124,-0.2 -0.494 33.4 120.1 -78.6 75.7 22.2 -19.3 63.3 85 103 A I - 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