==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 10-OCT-97 1XUG . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,J.M.CLARK,J.S.FINER-MOORE,T.E.JENKINS,C.R.JOHNSON, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 67 30.0 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 . 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 . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 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 . 1 0.4 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 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.1 52.7 -3.6 25.4 2 17 A V B +A 171 0A 10 169,-2.8 169,-1.9 1,-0.2 123,-0.1 -0.883 360.0 4.4-105.1 130.9 52.5 -7.3 24.5 3 18 A G S S+ 0 0 48 -2,-0.4 -1,-0.2 121,-0.4 2,-0.1 0.698 102.3 122.4 70.2 23.9 54.8 -8.4 21.6 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.129 54.7-118.4 -99.8-162.5 56.5 -5.1 21.2 5 20 A Y E -B 137 0B 90 132,-2.6 132,-3.0 -3,-0.1 2,-0.5 -0.859 34.3 -84.1-134.3 169.0 60.1 -4.0 21.4 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.621 36.0-149.4 -76.6 121.6 62.3 -1.7 23.5 7 22 A a - 0 0 19 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.920 35.5-113.5 -57.6 -47.4 61.9 1.7 22.1 8 23 A G > - 0 0 28 127,-0.5 3,-1.7 -3,-0.1 4,-0.2 -0.087 49.5 -56.2 117.8 143.3 65.3 3.0 23.0 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.283 117.3 -11.2 -60.3 127.6 65.9 5.8 25.5 10 25 A N T 3 S+ 0 0 41 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.649 89.7 126.9 60.0 26.5 64.1 9.0 24.8 11 26 A T S < S+ 0 0 83 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.514 76.2 49.3 -85.6 -5.0 63.1 8.0 21.2 12 27 A V S > S+ 0 0 8 -4,-0.2 3,-1.8 87,-0.1 -1,-0.3 -0.714 73.0 174.0-128.8 73.1 59.4 8.8 22.1 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.603 71.7 57.9 -67.2 -12.2 60.0 12.3 23.6 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.479 80.4 108.3 -94.9 -5.9 56.2 13.1 24.0 15 30 A Q E < -J 28 0C 6 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.520 47.7-173.9 -75.5 134.4 55.5 10.1 26.1 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.891 19.0-139.0-125.5 159.3 54.7 10.8 29.8 17 32 A S E -JK 26 49C 0 32,-2.2 32,-3.1 -2,-0.3 2,-0.6 -0.955 15.1-142.5-115.6 134.4 54.2 8.4 32.8 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.4 -2,-0.4 7,-1.0 -0.891 28.3-169.2-100.2 124.6 51.4 9.4 35.2 19 34 A N E +JK 23 47C 18 28,-2.9 28,-2.2 -2,-0.6 4,-0.2 -0.962 35.0 166.8-124.3 136.6 52.7 8.5 38.7 20 37 A S S S- 0 0 35 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.375 97.0 -47.7-135.3 47.1 51.0 8.3 42.1 21 38 A G S S+ 0 0 73 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.330 139.6 32.9 102.6 -7.8 53.8 6.4 43.8 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.0 0, 0.0 2,-0.5 -0.921 101.6 -86.3-164.1 166.5 54.0 3.9 40.9 23 40 A H E +J 19 0C 27 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.748 50.4 160.0 -84.8 124.3 53.3 4.2 37.2 24 41 A F E + 0 0 30 -6,-2.4 2,-0.3 -2,-0.5 151,-0.3 0.612 58.9 3.1-122.0 -18.2 49.6 3.7 36.5 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.977 61.2-125.0-160.0 166.0 49.0 5.3 33.0 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.442 25.7 177.6-106.5-179.2 50.7 6.9 30.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.954 24.3-116.2-171.2 173.3 49.9 10.3 28.5 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.2 -2,-0.3 2,-0.6 -0.981 18.9-130.3-127.8 136.7 51.2 12.6 25.6 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.3 -2,-0.4 6,-0.2 -0.757 27.3 174.0 -84.8 122.5 52.7 16.0 26.0 30 47 A I - 0 0 21 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.541 69.1 -10.0-107.7 -9.0 50.9 18.3 23.5 31 48 A N S S- 0 0 48 3,-1.1 3,-0.3 70,-0.1 -1,-0.2 -0.919 93.1 -75.7-165.9-177.3 52.5 21.7 24.5 32 49 A S S S+ 0 0 46 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.664 126.7 29.1 -72.3 -11.6 54.7 22.8 27.5 33 50 A Q S S+ 0 0 62 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.448 110.0 68.6-124.0 -0.5 51.9 22.8 30.1 34 51 A W E - M 0 89C 10 -3,-0.3 -4,-2.1 55,-0.2 -3,-1.1 -0.958 47.6-174.8-130.0 146.4 49.3 20.3 28.9 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.9 -2,-0.4 2,-0.4 -0.930 15.3-145.3-127.9 149.2 49.1 16.5 28.6 36 53 A V E +LM 28 87C 0 -8,-2.2 -8,-2.2 -2,-0.3 2,-0.2 -0.947 33.0 146.6-117.6 137.2 46.3 14.4 27.1 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.6 -2,-0.4 2,-0.3 -0.738 49.9 -64.9-147.1-164.2 45.5 11.0 28.5 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.2 -0.747 31.5-131.0 -99.2 143.0 42.4 8.8 29.1 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.812 107.6 62.8 -62.4 -29.8 39.5 9.7 31.3 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.494 92.7 65.3 -78.7 6.4 39.7 6.3 32.9 41 58 A b G < S+ 0 0 4 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.432 77.6 128.7 -98.9 -3.5 43.2 7.2 34.2 42 59 A Y < + 0 0 127 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.0 -0.235 19.1 127.7 -59.6 139.9 41.7 9.9 36.4 43 60 A K - 0 0 55 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.911 54.8 -99.6-173.5 168.9 42.6 10.1 40.1 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.578 94.5 49.3 -99.9 166.6 44.0 12.8 42.3 45 62 A G S S+ 0 0 66 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.933 72.3 168.3 73.7 46.2 47.6 13.1 43.3 46 63 A I - 0 0 11 -3,-0.2 21,-2.5 21,-0.1 2,-0.5 -0.798 20.3-170.2 -99.3 131.7 49.1 12.8 39.9 47 64 A Q E -KN 19 66C 51 -28,-2.2 -28,-2.9 -2,-0.5 2,-0.5 -0.966 18.6-141.2-115.1 130.1 52.7 13.6 39.2 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.6 -2,-0.5 2,-0.6 -0.841 11.9-155.6 -97.3 127.5 53.5 13.7 35.5 49 66 A R E -KN 17 64C 50 -32,-3.1 -32,-2.2 -2,-0.5 3,-0.3 -0.928 14.2-176.8-113.2 114.0 57.0 12.2 34.7 50 67 A L E + N 0 63C 2 13,-2.6 13,-1.4 -2,-0.6 -34,-0.1 -0.619 60.2 30.7-102.0 158.6 58.6 13.5 31.5 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.696 85.2 151.5 63.0 23.9 61.9 12.3 29.8 52 70 A E + 0 0 12 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.469 24.7 150.1 -89.0 153.6 61.6 8.8 31.2 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 82,-0.2 0.199 82.9 34.8-139.8 -76.6 62.9 5.6 29.8 54 72 A N S > S- 0 0 23 80,-0.2 3,-1.0 1,-0.2 -1,-0.4 -0.772 72.2-163.9 -85.3 111.8 63.5 3.4 32.9 55 73 A I T 3 S+ 0 0 27 78,-2.3 -1,-0.2 -2,-0.8 79,-0.1 0.559 85.9 52.6 -72.4 -9.9 60.7 4.5 35.3 56 74 A N T 3 S+ 0 0 114 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.420 106.0 56.5-104.9 -1.3 62.5 2.9 38.3 57 75 A V S < S- 0 0 69 -3,-1.0 2,-0.9 76,-0.2 -4,-0.3 -0.997 75.4-134.1-130.2 134.2 65.9 4.6 37.8 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.790 36.9 163.8 -88.0 112.1 66.7 8.4 37.7 59 77 A E - 0 0 108 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.552 55.6 -88.7-104.4 -16.3 69.0 8.3 34.6 60 78 A G S S+ 0 0 34 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.189 103.2 67.7 114.3 153.9 68.9 12.0 33.8 61 79 A N + 0 0 64 1,-0.3 2,-0.2 -2,-0.1 -9,-0.1 0.240 69.2 130.8 87.9 -7.1 66.5 14.0 31.5 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.505 36.2-171.9 -78.9 148.0 63.6 13.4 33.8 63 81 A Q E -N 50 0C 33 -13,-1.4 -13,-2.6 -2,-0.2 2,-0.6 -0.982 7.2-160.8-137.0 124.7 61.3 16.3 34.8 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.967 18.1 170.8-111.9 116.8 58.7 15.5 37.5 65 83 A I E -N 48 0C 22 -17,-2.6 -17,-3.3 -2,-0.6 2,-0.1 -0.984 29.9-123.7-128.9 139.4 55.9 18.0 37.6 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.5 -19,-0.2 26,-0.3 -0.494 28.5-112.3 -80.0 155.3 52.6 17.8 39.6 67 85 A A E -O 90 0C 22 -21,-2.5 23,-0.3 23,-0.2 3,-0.1 -0.674 22.6-164.2 -80.9 137.7 49.3 18.1 37.7 68 86 A S E S- 0 0 79 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.836 73.9 -6.5 -93.0 -40.0 47.6 21.4 38.7 69 87 A K E -O 89 0C 89 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.990 59.1-148.9-151.8 150.8 44.1 20.2 37.4 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.981 12.2-157.4-120.1 131.7 42.8 17.2 35.4 71 89 A I E -O 87 0C 32 16,-3.3 16,-2.2 -2,-0.4 2,-0.3 -0.915 3.9-162.1-115.5 104.3 39.8 17.8 33.1 72 90 A V E -O 86 0C 48 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.642 39.7 -96.0 -83.2 140.0 37.8 14.6 32.3 73 91 A H > - 0 0 21 12,-2.0 3,-2.0 -2,-0.3 -1,-0.1 -0.337 32.5-129.0 -55.1 128.7 35.6 15.1 29.2 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.779 106.7 48.6 -53.1 -31.6 32.1 16.1 30.5 75 93 A S T 3 S+ 0 0 76 2,-0.1 2,-0.1 8,-0.1 -2,-0.1 0.181 78.3 137.9 -97.8 18.2 30.4 13.3 28.4 76 94 A Y < - 0 0 57 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.417 37.3-161.3 -63.5 132.3 32.8 10.5 29.5 77 95 A N B >> -P 82 0D 64 5,-1.9 4,-2.4 -2,-0.1 5,-0.6 -0.964 7.1-162.4-119.3 113.4 30.8 7.3 30.2 78 96 A S T 45S+ 0 0 75 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.622 87.8 55.1 -73.5 -12.2 32.7 4.9 32.4 79 97 A N T 45S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.848 124.5 21.6 -89.1 -36.2 30.5 1.9 31.5 80 98 A T T 45S- 0 0 68 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.639 95.3-134.7-101.7 -15.7 30.9 2.3 27.7 81 99 A L T ><5 + 0 0 36 -4,-2.4 3,-0.7 1,-0.3 2,-0.2 0.684 47.0 159.1 66.5 27.2 34.2 4.3 27.8 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-1.9 1,-0.2 -1,-0.3 -0.567 65.5 18.8 -76.2 141.7 32.8 6.6 25.2 83 101 A N T 3 S+ 0 0 20 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.911 79.4 174.9 62.3 45.6 34.7 10.0 25.2 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.497 31.5 116.1 -84.3 76.8 37.6 8.5 27.1 85 103 A I - 0 0 0 -2,-2.1 -12,-2.0 -47,-0.2 2,-0.3 -0.996 37.7-176.7-144.8 145.4 39.9 11.5 27.0 86 104 A M E -MO 37 72C 0 -49,-2.6 -49,-2.8 -2,-0.3 2,-0.4 -0.996 14.9-147.4-143.5 141.2 41.4 13.7 29.7 87 105 A L E -MO 36 71C 0 -16,-2.2 -16,-3.3 -2,-0.3 2,-0.4 -0.895 12.7-161.7-108.4 139.5 43.5 16.9 29.7 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.4 -2,-0.4 2,-0.4 -0.993 5.6-152.3-123.4 128.6 46.1 17.5 32.5 89 107 A K E -MO 34 69C 46 -20,-2.7 -21,-3.3 -2,-0.4 -20,-1.2 -0.857 19.0-130.8-100.9 136.2 47.5 20.9 33.1 90 108 A L E - O 0 67C 1 -57,-3.0 -23,-0.2 -2,-0.4 3,-0.1 -0.593 11.4-126.9 -86.3 148.2 51.0 21.0 34.7 91 109 A K S S+ 0 0 135 -25,-2.5 2,-0.3 -2,-0.2 -1,-0.1 0.887 97.6 9.4 -62.2 -41.7 51.7 23.2 37.7 92 110 A S S S- 0 0 75 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.917 96.0 -92.7-132.6 163.8 54.7 24.7 35.8 93 111 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.457 39.5-118.5 -77.6 150.0 55.7 24.3 32.2 94 112 A A - 0 0 8 -62,-2.8 2,-0.9 -2,-0.1 -1,-0.1 -0.508 24.3-113.9 -82.9 156.7 58.1 21.6 31.2 95 113 A S - 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