==== 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 17-OCT-03 1V2V . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.RAUH,G.KLEBE,M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 58.7 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 . 69 30.9 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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.8 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 2 2 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 T I 0 0 3 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 126.6 -3.7 10.1 11.0 2 17 T V B +A 171 0A 8 169,-3.3 169,-1.7 1,-0.2 123,-0.1 -0.882 360.0 3.3-105.7 131.9 -7.3 11.3 11.1 3 18 T G S S+ 0 0 48 121,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.768 101.8 122.4 69.4 25.5 -8.4 14.2 8.9 4 19 T G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.148 55.3-115.0-101.3-160.7 -5.0 14.5 7.2 5 20 T Y E -B 137 0B 105 132,-2.6 132,-3.4 -2,-0.1 2,-0.4 -0.915 34.0 -84.9-136.9 164.3 -3.9 14.3 3.6 6 21 T T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.573 36.1-152.2 -70.3 122.0 -1.8 12.1 1.4 7 22 T a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.889 35.8-115.8 -62.9 -44.0 1.8 13.4 1.8 8 23 T G > - 0 0 25 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 0.012 47.0 -51.9 110.7 140.4 3.1 12.3 -1.6 9 24 T A T 3 S- 0 0 60 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.188 118.5 -15.3 -50.3 118.9 5.7 9.7 -2.3 10 25 T N T 3 S+ 0 0 36 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.660 89.9 128.0 61.3 23.3 8.9 10.3 -0.4 11 26 T T S < S+ 0 0 85 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.643 75.7 50.8 -80.8 -13.9 8.1 13.9 0.6 12 27 T V S > S+ 0 0 8 -4,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.638 72.9 174.4-121.3 70.2 8.9 13.0 4.3 13 28 T P T 3 S+ 0 0 30 0, 0.0 88,-0.8 0, 0.0 38,-0.3 0.605 73.4 56.1 -52.5 -20.9 12.3 11.3 3.7 14 29 T Y T 3 S+ 0 0 25 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.513 79.9 113.5 -93.3 -6.4 13.0 10.8 7.5 15 30 T Q E < -J 28 0C 5 -3,-2.2 36,-0.4 13,-0.2 37,-0.4 -0.500 46.9-170.4 -71.8 130.1 9.8 8.8 8.1 16 31 T V E -J 27 0C 0 11,-2.3 11,-1.2 -2,-0.3 2,-0.5 -0.846 16.5-145.4-120.3 154.6 10.4 5.2 9.0 17 32 T S E -JK 26 49C 1 32,-1.9 32,-2.4 -2,-0.3 2,-0.5 -0.987 13.1-144.4-120.6 124.3 8.1 2.2 9.4 18 33 T L E -JK 25 48C 0 7,-3.1 6,-2.2 -2,-0.5 7,-1.0 -0.786 25.6-166.8 -88.1 127.9 8.8 -0.4 12.1 19 34 T N E +JK 23 47C 18 28,-2.8 28,-2.4 -2,-0.5 4,-0.2 -0.952 33.5 162.9-127.0 137.4 7.9 -3.9 10.8 20 37 T S S S- 0 0 37 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.251 97.1 -45.9-138.5 44.9 7.5 -7.3 12.4 21 38 T G S S+ 0 0 73 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.295 139.3 26.6 103.3 -4.5 5.5 -9.1 9.7 22 39 T Y S S- 0 0 137 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.941 101.2 -79.8-174.0 163.0 3.3 -6.0 9.5 23 40 T H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.648 50.7 156.9 -77.6 127.3 3.6 -2.2 10.2 24 41 T F E + 0 0 31 -6,-2.2 2,-0.3 -2,-0.4 151,-0.2 0.550 59.6 2.9-127.1 -15.5 3.2 -1.5 13.9 25 42 T b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.984 60.4-125.8-163.7 165.4 4.9 1.8 14.6 26 43 T G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.496 25.4 178.6-108.3-177.9 6.6 4.8 12.9 27 44 T G E -J 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.969 24.1-112.8-170.1 175.9 10.0 6.3 13.6 28 45 T S E -JL 15 36C 1 8,-2.5 8,-2.7 -2,-0.3 2,-0.5 -0.992 19.2-133.1-131.3 131.2 12.4 9.1 12.5 29 46 T L E + L 0 35C 0 -15,-2.1 74,-2.0 -2,-0.4 6,-0.2 -0.696 26.6 172.4 -79.9 121.7 15.8 8.7 11.0 30 47 T I E - 0 0 21 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.588 67.9 -9.3-106.1 -14.8 18.3 11.0 12.8 31 48 T N E > S- L 0 34C 49 3,-1.2 3,-1.0 70,-0.1 -1,-0.4 -0.940 90.1 -75.9-168.1 170.1 21.5 9.7 11.1 32 49 T S T 3 S+ 0 0 47 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.689 128.4 26.4 -51.0 -23.0 22.6 6.9 8.8 33 50 T Q T 3 S+ 0 0 62 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.440 109.8 71.1-122.5 -0.6 22.5 4.3 11.7 34 51 T W E < -LM 31 89C 8 -3,-1.0 -4,-2.4 55,-0.2 -3,-1.2 -0.961 47.1-173.0-130.0 141.0 20.0 5.5 14.2 35 52 T V E -LM 29 88C 0 53,-2.3 53,-2.8 -2,-0.4 2,-0.4 -0.945 14.0-147.1-123.5 142.3 16.2 5.9 14.4 36 53 T V E +LM 28 87C 6 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.2 -0.917 33.5 142.7-110.8 137.8 14.2 7.5 17.2 37 54 T S E - M 0 86C 0 49,-2.3 49,-2.2 -2,-0.4 2,-0.4 -0.742 51.3 -60.9-150.2-163.5 10.7 6.1 18.1 38 55 T A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.755 31.5-135.0 -98.2 142.6 8.5 5.5 21.1 39 56 T A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.859 105.9 62.3 -60.3 -35.4 9.5 3.3 24.0 40 57 T H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.522 93.7 65.5 -71.4 0.6 6.0 1.7 24.0 41 58 T b G < S+ 0 0 5 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.393 75.7 132.1 -96.8 -0.4 6.8 0.5 20.5 42 59 T Y < + 0 0 128 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.199 21.3 143.7 -56.3 143.0 9.5 -1.8 21.8 43 60 T K - 0 0 56 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.929 47.4-107.5-172.5 153.0 9.6 -5.4 20.5 44 61 T S S S+ 0 0 93 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.562 96.1 37.2 -87.7 158.4 12.2 -7.9 19.6 45 62 T G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.955 77.1 172.1 68.3 51.9 12.7 -8.8 15.9 46 63 T I - 0 0 9 -3,-0.2 21,-2.4 21,-0.2 2,-0.5 -0.783 20.2-162.6 -98.5 136.4 12.2 -5.4 14.4 47 64 T Q E -KN 19 66C 52 -28,-2.4 -28,-2.8 -2,-0.4 2,-0.5 -0.975 14.5-142.9-115.3 126.6 12.9 -4.6 10.8 48 65 T V E -KN 18 65C 0 17,-3.3 17,-2.8 -2,-0.5 2,-0.6 -0.772 11.2-159.1 -92.1 129.7 13.3 -0.9 9.9 49 66 T R E -KN 17 64C 50 -32,-2.4 -32,-1.9 -2,-0.5 3,-0.3 -0.936 11.5-175.8-116.5 114.1 11.8 0.1 6.5 50 67 T L E + N 0 63C 2 13,-2.6 13,-1.7 -2,-0.6 -34,-0.1 -0.653 61.8 29.0-102.3 159.3 13.1 3.4 4.9 51 69 T G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.751 85.0 156.1 64.3 25.4 12.0 5.2 1.8 52 70 T E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.508 21.1 147.6 -86.1 149.6 8.5 3.8 2.1 53 71 T D S S+ 0 0 15 1,-0.2 2,-1.0 4,-0.2 -1,-0.1 0.238 79.9 33.8-135.6 -78.6 5.2 5.3 0.7 54 72 T N S > S- 0 0 31 80,-0.2 3,-1.0 1,-0.2 80,-0.3 -0.734 73.4-164.7 -83.5 105.2 2.9 2.4 -0.1 55 73 T I T 3 S+ 0 0 29 78,-2.4 -1,-0.2 -2,-1.0 79,-0.1 0.507 80.3 56.6 -72.0 -2.2 3.8 -0.1 2.7 56 74 T N T 3 S+ 0 0 110 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.574 105.3 47.3-104.2 -10.5 2.1 -3.0 1.0 57 75 T V S < S- 0 0 84 -3,-1.0 2,-0.7 76,-0.2 -4,-0.2 -0.987 81.0-119.5-133.2 141.4 3.8 -3.0 -2.4 58 76 T V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 3,-0.1 -0.704 39.0 164.8 -80.3 115.6 7.5 -2.8 -3.3 59 77 T E - 0 0 107 -2,-0.7 -1,-0.2 1,-0.2 2,-0.1 0.576 52.0 -96.3-106.5 -14.7 7.8 0.4 -5.4 60 78 T G S S+ 0 0 33 -9,-0.0 -1,-0.2 0, 0.0 3,-0.1 -0.139 100.1 69.2 107.4 151.6 11.5 1.0 -5.4 61 79 T N S S+ 0 0 82 1,-0.3 2,-0.2 -2,-0.1 -9,-0.0 0.248 71.1 127.2 88.2 -11.3 13.4 3.4 -3.1 62 80 T E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.513 40.4-166.4 -80.4 149.2 12.8 1.2 -0.1 63 81 T Q E -N 50 0C 37 -13,-1.7 -13,-2.6 -2,-0.2 2,-0.6 -0.986 5.3-159.0-133.9 118.3 15.6 -0.0 2.1 64 82 T F E +N 49 0C 88 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.900 18.2 171.7-101.9 124.2 14.9 -2.8 4.6 65 83 T I E -N 48 0C 17 -17,-2.8 -17,-3.3 -2,-0.6 2,-0.1 -0.992 28.0-127.8-137.5 128.1 17.3 -3.0 7.5 66 84 T S E -N 47 0C 54 -2,-0.4 25,-2.7 -19,-0.3 2,-0.4 -0.376 28.7-112.7 -71.4 149.4 17.2 -5.2 10.6 67 85 T A E -O 90 0C 23 -21,-2.4 23,-0.2 23,-0.2 -21,-0.2 -0.678 22.3-167.6 -81.9 132.7 17.5 -3.5 14.0 68 86 T S E S- 0 0 53 21,-2.8 2,-0.3 -2,-0.4 22,-0.2 0.728 73.4 -3.7 -91.3 -25.2 20.8 -4.6 15.8 69 87 T K E -O 89 0C 85 20,-1.3 20,-3.0 2,-0.0 2,-0.5 -0.931 55.8-150.1-167.9 142.3 19.6 -3.1 19.1 70 88 T S E -O 88 0C 32 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.974 11.6-161.0-118.5 125.9 16.8 -1.2 20.7 71 89 T I E -O 87 0C 31 16,-3.8 16,-2.3 -2,-0.5 2,-0.2 -0.869 5.2-164.3-112.2 99.0 17.4 1.1 23.6 72 90 T V E -O 86 0C 46 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.575 40.0 -93.3 -77.7 141.2 14.3 2.0 25.6 73 91 T H > - 0 0 26 12,-1.9 3,-2.1 10,-0.3 -1,-0.1 -0.340 31.1-130.2 -57.3 131.0 14.8 5.0 28.0 74 92 T P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.754 106.9 47.5 -54.0 -28.2 15.9 3.7 31.4 75 93 T S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.238 79.0 135.5-100.3 12.2 13.2 5.9 33.1 76 94 T Y < - 0 0 59 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.388 39.5-159.0 -61.3 132.2 10.3 4.9 30.8 77 95 T N > - 0 0 67 5,-1.9 4,-2.5 1,-0.1 5,-0.5 -0.963 9.9-159.2-119.4 115.5 7.2 4.2 32.7 78 96 T S T 4 S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.661 89.4 56.0 -67.4 -16.4 4.6 2.0 30.9 79 97 T N T 4 S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.869 124.5 18.5 -84.0 -39.2 1.8 3.2 33.2 80 98 T T T 4 S- 0 0 54 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.579 94.6-131.9-105.3 -15.3 2.1 7.0 32.6 81 99 T L >< + 0 0 31 -4,-2.5 3,-0.8 1,-0.2 -3,-0.2 0.687 47.8 161.2 68.2 20.5 4.1 6.8 29.4 82 100 T N T 3 + 0 0 33 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.2 -0.506 66.6 18.5 -70.3 142.2 6.6 9.3 30.9 83 101 T N T 3 S+ 0 0 17 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.907 79.7 175.3 62.3 43.6 9.9 9.2 29.0 84 102 T D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.528 33.3 115.7 -82.8 74.6 8.2 7.5 26.0 85 103 T I - 0 0 0 -2,-2.0 -12,-1.9 -47,-0.3 2,-0.3 -0.996 37.9-178.3-144.9 145.0 11.3 7.5 23.8 86 104 T M E -MO 37 72C 0 -49,-2.2 -49,-2.3 -2,-0.3 2,-0.4 -0.994 16.6-142.9-146.2 147.5 13.5 4.8 22.3 87 105 T L E -MO 36 71C 2 -16,-2.3 -16,-3.8 -2,-0.3 2,-0.5 -0.945 12.9-164.3-114.9 132.4 16.6 4.6 20.1 88 106 T I E -MO 35 70C 0 -53,-2.8 -53,-2.3 -2,-0.4 2,-0.5 -0.965 7.2-151.8-118.1 126.1 17.1 1.9 17.5 89 107 T K E -MO 34 69C 44 -20,-3.0 -21,-2.8 -2,-0.5 -20,-1.3 -0.834 19.5-129.2 -97.3 132.3 20.5 1.1 16.0 90 108 T L E - O 0 67C 0 -57,-2.8 -23,-0.2 -2,-0.5 -24,-0.1 -0.570 9.5-131.4 -80.9 142.2 20.5 -0.2 12.4 91 109 T K S S+ 0 0 126 -25,-2.7 2,-0.3 -2,-0.2 -1,-0.1 0.796 95.9 18.0 -60.3 -29.4 22.5 -3.4 11.7 92 110 T S S S- 0 0 72 -26,-0.3 2,-0.2 -60,-0.1 -1,-0.1 -0.964 96.2 -93.7-139.9 154.6 23.9 -1.6 8.7 93 111 T A - 0 0 60 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.477 42.7-120.2 -71.5 136.9 24.1 2.1 7.7 94 112 T A - 0 0 8 -62,-3.2 2,-0.9 -2,-0.2 -1,-0.1 -0.422 23.5-114.0 -74.1 152.6 21.3 3.3 5.5 95 113 T S - 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