==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 17-SEP-91 1GBT . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR P.T.SINGER,R.M.SWEET . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 70 31.4 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 . 15 6.7 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 . 15 6.7 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 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 . 3 2 2 4 3 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,-0.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 118.9 53.1 -3.5 25.2 2 17 A V B 3 +A 171 0A 10 169,-3.5 169,-1.8 1,-0.2 123,-0.1 -0.832 360.0 0.2 -93.7 122.3 52.7 -7.1 24.2 3 18 A G T 3 S+ 0 0 44 -2,-0.5 -1,-0.2 121,-0.5 2,-0.1 0.683 100.0 123.0 80.1 20.9 55.0 -8.2 21.4 4 19 A G < - 0 0 32 -3,-0.5 2,-0.3 167,-0.1 134,-0.2 -0.064 57.1-114.9 -99.1-158.2 56.8 -4.9 20.9 5 20 A Y E -B 137 0B 111 132,-1.6 132,-2.3 -2,-0.1 2,-0.5 -0.817 37.6 -88.3-134.1 159.0 60.5 -3.9 21.0 6 21 A T E -B 136 0B 64 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.640 39.0-144.6 -63.1 128.9 62.4 -1.7 23.4 7 22 A a - 0 0 18 128,-2.3 -1,-0.2 -2,-0.5 129,-0.1 0.888 34.9-106.6 -66.2 -39.1 62.1 1.8 21.8 8 23 A G > - 0 0 30 127,-0.5 3,-1.7 -3,-0.1 4,-0.2 0.018 50.1 -65.7 110.6 128.9 65.6 3.2 22.7 9 24 A A T 3 S- 0 0 52 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.317 115.4 -3.6 -57.4 129.8 66.0 5.9 25.4 10 25 A N T 3 S+ 0 0 22 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.525 92.3 120.9 66.0 15.2 64.3 9.2 24.6 11 26 A T S < S+ 0 0 87 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.642 74.3 48.8 -84.0 -9.1 63.2 8.3 21.1 12 27 A V S > S+ 0 0 8 -4,-0.2 3,-1.8 87,-0.1 -1,-0.3 -0.663 74.7 175.2-121.6 68.1 59.6 8.9 21.9 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.642 71.2 56.6 -60.1 -13.8 60.0 12.4 23.5 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-1.5 88,-0.1 2,-0.3 0.519 80.7 114.9 -98.1 2.9 56.3 13.1 23.9 15 30 A Q E < -J 28 0C 8 -3,-1.8 36,-0.5 13,-0.2 37,-0.3 -0.459 46.4-171.0 -79.0 128.6 55.7 10.1 25.9 16 31 A V E -J 27 0C 0 11,-2.7 11,-1.3 -2,-0.3 2,-0.5 -0.894 18.5-142.3-119.9 157.1 54.7 10.6 29.5 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.4 -2,-0.3 2,-0.5 -0.959 14.3-145.4-112.6 123.2 54.3 8.4 32.6 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.5 -2,-0.5 7,-0.9 -0.820 28.7-171.0 -88.5 128.7 51.4 9.2 34.9 19 34 A N E +JK 23 47C 19 28,-2.5 28,-1.9 -2,-0.5 4,-0.2 -0.950 36.4 162.3-133.9 133.7 52.7 8.4 38.5 20 37 A S S S- 0 0 39 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.288 97.7 -43.6-132.4 47.1 51.2 8.2 42.0 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.324 139.8 27.1 102.6 -1.3 53.9 6.1 43.8 22 39 A Y S S- 0 0 129 -4,-0.1 -2,-2.2 0, 0.0 2,-0.4 -0.841 102.4 -80.7-175.6 163.0 54.1 3.8 40.7 23 40 A H E +J 19 0C 28 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.634 49.8 161.6 -77.1 128.9 53.4 4.2 37.0 24 41 A F E - 0 0 28 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.583 58.5 -6.3-126.4 -19.5 49.7 3.8 36.3 25 42 A b E -J 18 0C 9 -7,-0.9 -7,-3.2 151,-0.1 -1,-0.4 -0.966 61.0-127.7-158.3 168.4 49.0 5.2 32.9 26 43 A G E +J 17 0C 0 151,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.412 22.3 177.9-107.8-164.9 50.8 7.1 30.1 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.7 -2,-0.1 2,-0.3 -0.950 26.3-108.5-171.6-177.0 49.9 10.3 28.2 28 45 A S E -JL 15 36C 2 8,-2.2 8,-2.4 -2,-0.3 2,-0.5 -0.971 21.1-125.9-130.5 141.7 51.4 12.5 25.6 29 46 A L E + L 0 35C 0 -15,-1.5 74,-2.2 72,-0.4 6,-0.2 -0.655 30.1 172.2 -85.9 121.6 52.9 16.0 25.9 30 47 A I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.649 66.6 -7.4-110.7 -6.1 51.0 18.2 23.5 31 48 A N E > S- L 0 34C 53 3,-1.2 3,-1.1 70,-0.1 -1,-0.4 -0.954 89.2 -76.3-167.8 176.6 52.5 21.4 24.6 32 49 A S T 3 S+ 0 0 41 1,-0.3 62,-2.4 -2,-0.3 3,-0.1 0.707 126.7 21.5 -60.1 -12.1 54.8 22.8 27.3 33 50 A Q T 3 S+ 0 0 68 60,-0.2 57,-2.5 1,-0.2 2,-0.4 0.467 111.3 68.9-133.6 2.6 52.1 22.7 29.8 34 51 A W E < -LM 31 89C 12 -3,-1.1 -4,-2.3 55,-0.2 -3,-1.2 -0.997 48.3-170.9-138.9 135.6 49.4 20.3 28.8 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.7 -2,-0.4 2,-0.4 -0.861 15.1-143.8-112.5 140.3 49.4 16.5 28.5 36 53 A V E +LM 28 87C 1 -8,-2.4 -8,-2.2 -2,-0.3 51,-0.2 -0.945 32.9 149.7-108.0 139.5 46.5 14.4 27.0 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.6 -2,-0.4 2,-0.3 -0.688 49.7 -69.6-146.0-169.6 45.6 11.0 28.6 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 4,-0.3 -0.729 32.7-128.5 -98.7 146.8 42.5 8.9 28.9 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.885 109.5 63.6 -57.9 -35.0 39.6 9.9 31.2 40 57 A H G 3 S+ 0 0 73 1,-0.2 -1,-0.3 41,-0.1 137,-0.0 0.689 91.3 65.4 -68.3 -9.2 39.8 6.4 32.9 41 58 A b G < S+ 0 0 4 -3,-1.6 -1,-0.2 -15,-0.1 -2,-0.2 0.542 79.4 132.4 -87.2 -2.1 43.4 7.2 34.1 42 59 A Y < + 0 0 120 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.1 -0.126 18.8 129.0 -57.9 128.9 41.9 9.9 36.3 43 60 A K - 0 0 61 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.971 52.6-103.0-163.0 168.7 42.8 10.1 39.8 44 61 A S S S+ 0 0 91 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.503 94.6 45.2 -90.0 166.6 44.0 12.7 42.2 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.891 74.4 164.6 69.5 40.6 47.6 13.1 43.3 46 63 A I - 0 0 12 -3,-0.3 21,-2.2 -26,-0.1 2,-0.5 -0.765 23.3-165.8 -99.4 130.4 49.2 12.6 39.8 47 64 A Q E -KN 19 66C 50 -28,-1.9 -28,-2.5 -2,-0.4 2,-0.5 -0.968 18.2-139.2-106.2 123.6 52.8 13.5 39.1 48 65 A V E -KN 18 65C 0 17,-2.7 17,-2.8 -2,-0.5 2,-0.6 -0.820 14.0-157.3 -85.1 126.6 53.7 13.7 35.4 49 65AA R E -KN 17 64C 54 -32,-2.4 -32,-2.1 -2,-0.5 3,-0.3 -0.960 12.8-173.9-111.3 112.9 57.1 12.2 34.6 50 66 A L E + N 0 63C 2 13,-3.1 13,-1.8 -2,-0.6 -34,-0.1 -0.652 60.6 24.6 -98.3 157.1 58.7 13.5 31.3 51 69 A G S S+ 0 0 6 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.630 82.5 152.5 62.0 27.2 61.8 12.3 29.6 52 70 A E + 0 0 11 -37,-0.3 -42,-0.3 -3,-0.3 -1,-0.2 -0.514 21.1 155.6 -87.5 149.2 61.8 8.8 31.1 53 71 A D S S+ 0 0 16 1,-0.3 2,-0.7 4,-0.2 -1,-0.2 0.305 82.3 33.8-124.0 -85.8 63.2 5.6 29.7 54 72 A N S > S- 0 0 23 80,-0.2 3,-0.9 1,-0.2 -1,-0.3 -0.570 72.4-164.8 -78.8 120.1 63.8 3.4 32.7 55 73 A I T 3 S+ 0 0 30 78,-2.6 -1,-0.2 -2,-0.7 79,-0.1 0.589 84.6 55.9 -81.7 -10.2 61.0 4.3 35.1 56 74 A N T 3 S+ 0 0 113 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.480 106.2 50.8 -95.6 -9.8 62.8 2.7 38.0 57 75 A V S < S- 0 0 73 -3,-0.9 2,-0.8 76,-0.1 -4,-0.2 -0.991 76.0-129.2-131.6 133.2 66.0 4.6 37.8 58 76 A V + 0 0 111 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.757 37.9 163.5 -79.9 119.6 66.8 8.3 37.6 59 77 A E - 0 0 106 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.528 54.4 -93.4-113.3 -7.6 69.2 8.3 34.6 60 78 A G S S+ 0 0 33 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.093 101.2 71.9 104.4 159.6 69.0 12.0 33.8 61 79 A N S S+ 0 0 65 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.215 70.7 130.6 88.2 -13.6 66.7 13.9 31.4 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.388 38.3-169.4 -72.6 149.7 63.7 13.4 33.7 63 81 A Q E -N 50 0C 36 -13,-1.8 -13,-3.1 -2,-0.1 2,-0.7 -0.997 5.1-162.7-142.1 119.4 61.4 16.2 34.7 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.895 19.3 169.2-105.3 105.8 58.9 15.4 37.5 65 83 A I E -N 48 0C 14 -17,-2.8 -17,-2.7 -2,-0.7 2,-0.1 -0.927 29.6-125.9-122.9 127.6 56.1 18.1 37.4 66 84 A S E -N 47 0C 48 -2,-0.5 25,-2.1 -19,-0.3 26,-0.3 -0.376 26.3-106.2 -68.5 167.0 52.9 17.7 39.3 67 85 A A E -O 90 0C 23 -21,-2.2 23,-0.2 23,-0.2 3,-0.1 -0.523 25.5-168.9 -86.1 135.3 49.5 18.0 37.7 68 86 A S E S- 0 0 62 21,-5.0 2,-0.3 1,-0.4 -1,-0.2 0.808 71.6 -8.2-102.2 -24.7 47.8 21.2 38.6 69 87 A K E -O 89 0C 74 20,-1.3 20,-2.8 2,-0.0 2,-0.5 -0.967 57.0-150.6-157.9 146.7 44.4 20.1 37.2 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.950 9.9-158.4-117.7 134.4 42.9 17.3 35.3 71 89 A I E -O 87 0C 33 16,-3.5 16,-1.7 -2,-0.5 2,-0.2 -0.824 3.7-161.2-116.7 98.5 39.9 17.8 33.1 72 90 A V E -O 86 0C 44 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.547 39.7 -96.5 -69.4 141.2 37.9 14.7 32.3 73 91 A H > - 0 0 24 12,-1.7 3,-2.3 10,-0.3 -1,-0.1 -0.361 33.3-124.2 -57.5 131.7 35.7 15.2 29.2 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.771 106.7 42.1 -52.5 -27.5 32.2 16.1 30.5 75 93 A S T 3 S+ 0 0 76 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.129 76.9 138.4-107.8 17.5 30.4 13.2 28.6 76 94 A Y < - 0 0 56 -3,-2.3 2,-0.6 9,-0.1 7,-0.2 -0.421 40.5-156.1 -58.8 132.4 32.9 10.6 29.3 77 95 A N B >> -P 82 0D 58 5,-2.2 4,-3.1 1,-0.1 5,-0.7 -0.949 10.9-159.4-118.8 121.1 30.9 7.5 30.2 78 96 A S T 45S+ 0 0 75 -2,-0.6 -1,-0.1 2,-0.2 -2,-0.0 0.754 88.6 56.1 -71.6 -22.9 32.6 4.9 32.3 79 97 A N T 45S+ 0 0 143 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.952 125.1 20.7 -73.6 -44.7 30.4 2.0 31.3 80 98 A T T 45S- 0 0 69 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.727 94.2-132.4 -88.1 -29.2 31.0 2.4 27.6 81 99 A L T ><5 + 0 0 31 -4,-3.1 3,-0.9 1,-0.3 2,-0.3 0.629 50.3 155.7 76.1 19.5 34.4 4.3 27.6 82 100 A N B 3 < +P 77 0D 34 -5,-0.7 -5,-2.2 1,-0.2 -1,-0.3 -0.619 65.2 21.2 -75.8 143.9 33.0 6.7 25.1 83 101 A N T 3 S+ 0 0 20 -2,-0.3 2,-1.9 -7,-0.2 -10,-0.3 0.892 79.8 173.4 67.3 38.0 34.8 10.1 25.2 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.583 33.4 113.9 -79.4 68.3 37.7 8.4 27.0 85 103 A I + 0 0 0 -2,-1.9 -12,-1.7 -47,-0.2 2,-0.3 -0.999 37.5 176.9-140.0 142.1 39.9 11.5 26.9 86 104 A M E -MO 37 72C 0 -49,-2.6 -49,-2.5 -2,-0.3 2,-0.4 -0.999 18.0-143.4-147.4 149.6 41.3 13.8 29.6 87 105 A L E -MO 36 71C 0 -16,-1.7 -16,-3.5 -2,-0.3 2,-0.5 -0.931 11.7-157.6-115.8 134.5 43.6 16.9 29.7 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.3 -2,-0.4 2,-0.4 -0.984 6.6-148.6-109.5 127.5 46.2 17.5 32.5 89 107 A K E -MO 34 69C 39 -20,-2.8 -21,-5.0 -2,-0.5 -20,-1.3 -0.834 18.8-134.3 -85.1 130.1 47.5 21.0 33.2 90 108 A L E - 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