==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 11-APR-97 1AH2 . COMPND 2 MOLECULE: SERINE PROTEASE PB92; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ALCALOPHILUS; . AUTHOR R.BOELENS,D.SCHIPPER,J.R.MARTIN,Y.KARIMI-NEJAD,F.MULDER, . 269 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.7 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-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 . 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 . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 1 1 0 0 0 1 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 2 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 . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 A A 0 0 105 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.4 18.6 11.8 -13.1 2 2 A Q - 0 0 18 1,-0.1 2,-0.7 75,-0.0 77,-0.1 -0.116 360.0 -95.1 -83.1-172.7 15.8 12.7 -10.7 3 3 A S + 0 0 87 75,-0.6 77,-0.3 73,-0.2 -1,-0.1 -0.890 54.4 156.6-111.4 109.4 15.9 12.2 -6.9 4 4 A V - 0 0 39 -2,-0.7 197,-0.1 75,-0.2 77,-0.0 -0.948 37.0-115.2-132.4 153.7 14.3 9.0 -5.7 5 5 A P >> - 0 0 26 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.191 48.3 -84.8 -77.7 171.9 14.6 6.8 -2.6 6 6 A W H 3> S+ 0 0 77 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.730 123.5 73.5 -52.1 -19.1 16.0 3.3 -2.5 7 7 A G H 34 S+ 0 0 0 191,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.970 108.5 26.5 -63.2 -52.3 12.4 2.2 -3.4 8 8 A I H X4>S+ 0 0 9 -3,-1.0 3,-1.1 1,-0.2 5,-1.0 0.728 111.0 72.2 -83.9 -20.2 12.6 3.4 -7.0 9 9 A S H 3<5S+ 0 0 61 -4,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.817 102.1 44.3 -64.3 -26.4 16.4 2.9 -7.1 10 10 A R T 3<5S+ 0 0 32 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.455 100.0 70.7 -96.3 -0.7 15.8 -0.9 -7.1 11 11 A V T < 5S- 0 0 13 -3,-1.1 253,-1.2 -4,-0.1 -1,-0.2 0.217 99.7-126.8 -99.8 17.9 13.0 -0.8 -9.7 12 12 A Q T 5 + 0 0 54 -3,-0.4 4,-0.4 251,-0.2 -3,-0.1 0.888 64.6 140.6 39.9 45.8 15.3 0.1 -12.6 13 13 A A >< + 0 0 0 -5,-1.0 4,-1.5 2,-0.1 -1,-0.1 0.783 62.0 50.8 -88.2 -27.3 13.0 3.1 -13.3 14 14 A P H > S+ 0 0 36 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.973 103.0 56.4 -74.3 -56.5 15.7 5.7 -14.1 15 15 A A H > S+ 0 0 18 1,-0.3 4,-1.3 2,-0.2 -2,-0.1 0.840 109.7 51.0 -43.8 -31.6 17.6 3.5 -16.7 16 16 A A H >>S+ 0 0 0 -4,-0.4 4,-1.3 2,-0.2 5,-0.8 0.933 106.8 50.3 -75.0 -43.9 14.2 3.4 -18.4 17 17 A H H <5S+ 0 0 31 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.709 114.3 47.8 -66.9 -15.5 13.7 7.2 -18.3 18 18 A N H <5S+ 0 0 115 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.727 101.1 62.6 -96.2 -24.8 17.1 7.5 -19.8 19 19 A R H <5S- 0 0 113 -4,-1.3 -2,-0.2 -5,-0.4 -3,-0.1 0.859 119.5-102.8 -69.2 -32.0 16.6 4.9 -22.6 20 20 A G T <5S+ 0 0 57 -4,-1.3 -3,-0.1 1,-0.4 -4,-0.1 0.164 78.9 131.0 129.6 -16.7 13.8 7.0 -24.1 21 21 A L < + 0 0 36 -5,-0.8 -1,-0.4 1,-0.1 -2,-0.1 -0.377 24.5 172.9 -66.3 144.6 10.8 5.1 -22.9 22 22 A T - 0 0 63 2,-0.2 63,-0.9 205,-0.1 64,-0.2 0.327 41.0-128.7-133.5 1.5 8.1 7.4 -21.3 23 23 A G > + 0 0 0 1,-0.2 3,-1.4 204,-0.2 2,-0.2 0.651 57.7 155.3 57.6 6.5 5.2 5.0 -20.8 24 24 A S T 3 + 0 0 66 1,-0.2 -1,-0.2 62,-0.1 -2,-0.2 -0.443 54.8 37.7 -66.5 134.0 3.3 7.8 -22.6 25 25 A G T 3 S+ 0 0 55 1,-0.4 -1,-0.2 -2,-0.2 2,-0.2 0.363 93.7 108.4 106.6 -4.7 0.2 6.5 -24.3 26 26 A V < - 0 0 0 -3,-1.4 61,-2.0 91,-0.0 -1,-0.4 -0.523 56.0-144.8 -99.0 170.8 -0.7 4.0 -21.5 27 27 A K E +a 87 0A 79 59,-0.2 92,-1.4 -2,-0.2 2,-0.4 -0.981 16.9 176.3-140.5 128.8 -3.6 4.3 -19.0 28 28 A V E -ab 88 119A 1 59,-1.8 61,-2.5 -2,-0.4 92,-0.2 -0.992 18.7-142.8-134.0 134.9 -3.7 3.3 -15.4 29 29 A A E - b 0 120A 0 90,-1.2 92,-1.8 -2,-0.4 2,-0.5 -0.624 5.9-150.8 -92.3 154.5 -6.5 3.8 -12.8 30 30 A V E - b 0 121A 1 -2,-0.2 2,-1.3 90,-0.2 61,-0.6 -0.746 4.5-159.1-127.6 87.0 -5.8 4.6 -9.2 31 31 A L E + b 0 122A 2 90,-1.3 92,-0.6 -2,-0.5 61,-0.2 -0.462 52.2 107.0 -65.3 95.7 -8.6 3.2 -6.9 32 32 A D S S- 0 0 5 -2,-1.3 62,-1.7 59,-0.3 61,-0.7 -0.497 76.6-102.5-144.9-144.7 -8.1 5.5 -3.9 33 33 A T S S+ 0 0 14 1,-0.4 63,-0.2 59,-0.2 22,-0.2 0.085 92.5 2.3-145.0 27.8 -9.8 8.4 -2.2 34 34 A G - 0 0 1 25,-0.2 30,-1.0 22,-0.1 -1,-0.4 -0.290 42.0-163.9 151.1 119.8 -7.7 11.5 -3.2 35 35 A I - 0 0 4 21,-0.5 22,-0.1 28,-0.2 3,-0.1 0.268 48.3-122.6-104.0 11.5 -4.7 12.1 -5.4 36 36 A S - 0 0 1 19,-0.2 2,-0.6 1,-0.1 22,-0.2 0.739 26.9 -95.4 51.8 126.4 -4.0 15.6 -4.0 37 37 A T + 0 0 86 20,-0.3 168,-0.3 2,-0.1 169,-0.3 -0.563 65.3 153.2 -71.8 115.4 -4.0 18.4 -6.5 38 38 A H > - 0 0 31 -2,-0.6 3,-0.6 3,-0.4 164,-0.0 -0.983 57.0-123.8-145.2 157.3 -0.3 18.9 -7.4 39 39 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.414 111.5 58.1 -78.5 1.0 1.8 20.2 -10.3 40 40 A D T 3 S+ 0 0 9 1,-0.2 33,-2.1 34,-0.0 2,-0.6 0.605 99.2 61.6-105.1 -15.9 3.6 16.8 -10.4 41 41 A L < - 0 0 8 -3,-0.6 2,-0.9 31,-0.2 -3,-0.4 -0.932 69.5-157.0-114.1 119.1 0.5 14.7 -11.0 42 42 A N - 0 0 88 -2,-0.6 2,-0.7 43,-0.1 46,-0.4 -0.792 13.4-144.7 -96.6 105.1 -1.5 15.3 -14.2 43 43 A I + 0 0 64 -2,-0.9 46,-0.2 1,-0.2 3,-0.1 -0.531 28.8 166.8 -69.5 112.4 -5.1 14.1 -13.6 44 44 A R - 0 0 116 44,-2.0 2,-0.3 -2,-0.7 45,-0.2 0.673 67.8 -0.5-100.3 -19.8 -6.2 12.7 -17.0 45 45 A G E +e 89 0B 16 43,-0.8 45,-0.8 2,-0.0 -1,-0.3 -0.989 63.4 163.6-162.2 156.7 -9.3 10.9 -15.7 46 46 A G E -e 90 0B 39 -2,-0.3 2,-0.3 43,-0.3 45,-0.3 -0.860 9.5-174.3-177.1 140.5 -11.2 10.4 -12.4 47 47 A A - 0 0 19 43,-1.8 2,-0.6 -2,-0.3 45,-0.2 -0.966 12.3-152.9-146.4 126.8 -14.6 9.3 -11.1 48 48 A S + 0 0 30 -2,-0.3 45,-0.1 1,-0.2 43,-0.1 -0.868 27.9 153.6-104.3 116.5 -15.9 9.2 -7.5 49 49 A F + 0 0 70 43,-1.4 -1,-0.2 -2,-0.6 44,-0.1 0.833 46.1 87.1-104.1 -57.0 -18.6 6.6 -6.8 50 50 A V S S- 0 0 7 42,-0.7 44,-0.1 54,-0.1 42,-0.0 -0.039 86.5-106.4 -42.1 148.9 -18.4 5.8 -3.1 51 51 A P S S+ 0 0 88 0, 0.0 -2,-0.1 0, 0.0 49,-0.0 0.195 90.1 71.8 -66.6-168.3 -20.5 8.2 -1.0 52 52 A G - 0 0 59 1,-0.2 44,-0.2 43,-0.1 45,-0.1 0.889 68.9-153.5 57.9 94.8 -18.8 10.9 1.2 53 53 A E + 0 0 149 1,-0.2 -1,-0.2 42,-0.1 3,-0.1 -0.790 32.7 153.9-109.4 94.7 -17.7 13.4 -1.5 54 54 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.964 68.4 -49.8 -78.8 -64.8 -14.7 15.3 -0.2 55 55 A S - 0 0 66 3,-0.2 -19,-0.2 -22,-0.2 3,-0.0 -0.853 34.5-122.4-175.1 137.6 -13.0 16.2 -3.5 56 56 A T S S+ 0 0 65 -2,-0.3 -21,-0.5 1,-0.2 2,-0.5 0.724 109.9 50.8 -59.6 -15.4 -11.9 14.4 -6.7 57 57 A Q S S- 0 0 76 -23,-0.2 -20,-0.3 1,-0.2 -1,-0.2 -0.932 118.8 -12.1-128.7 112.2 -8.5 15.8 -5.8 58 58 A D + 0 0 55 -2,-0.5 -3,-0.2 -22,-0.2 -23,-0.2 0.108 58.5 140.5 83.3 157.5 -7.1 15.4 -2.3 59 59 A G S S+ 0 0 34 -25,-0.2 -25,-0.2 -5,-0.1 -3,-0.0 0.128 83.5 5.7 156.0 -20.9 -9.0 14.1 0.8 60 60 A N S S- 0 0 56 -26,-0.0 -26,-0.1 1,-0.0 -25,-0.1 0.210 80.6-121.8-145.2 -83.8 -6.5 11.9 2.6 61 61 A G S > S+ 0 0 3 -27,-0.3 4,-1.8 142,-0.1 3,-0.2 -0.164 89.0 78.3 159.6 -54.5 -2.9 11.5 1.4 62 62 A H H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.947 90.9 59.8 -46.3 -57.8 -2.1 7.9 0.5 63 63 A G H > S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 -28,-0.2 0.905 104.1 49.9 -38.4 -57.6 -3.9 8.1 -2.8 64 64 A T H > S+ 0 0 0 -30,-1.0 4,-2.0 -3,-0.2 5,-0.3 0.940 108.1 54.6 -51.1 -47.5 -1.6 10.9 -4.0 65 65 A H H X S+ 0 0 1 -4,-1.8 4,-2.1 -3,-0.4 5,-0.2 0.969 107.1 48.5 -52.1 -55.8 1.5 8.8 -2.9 66 66 A V H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.3 0.872 106.3 62.0 -53.5 -34.0 0.3 5.9 -5.1 67 67 A A H >X S+ 0 0 1 -4,-2.1 4,-1.9 -5,-0.4 3,-1.2 0.976 108.8 37.4 -58.9 -55.6 -0.1 8.5 -7.9 68 68 A G H 3X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.784 111.1 63.1 -69.1 -21.4 3.5 9.5 -8.0 69 69 A T H 3< S+ 0 0 3 -4,-2.1 13,-0.5 -5,-0.3 154,-0.3 0.740 109.5 40.6 -73.8 -18.5 4.4 5.9 -7.4 70 70 A I H << S- 0 0 1 -3,-1.2 13,-0.4 -4,-1.0 -2,-0.2 0.764 146.6 -20.3 -98.8 -30.5 2.7 5.1 -10.7 71 71 A A H < - 0 0 3 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.147 63.8-174.2-170.1 41.1 4.0 8.0 -12.8 72 72 A A < - 0 0 0 -4,-2.0 9,-0.6 -7,-0.1 -31,-0.2 -0.187 47.7-100.1 -44.9 121.3 5.2 11.0 -10.7 73 73 A L - 0 0 23 -33,-2.1 2,-0.7 1,-0.1 3,-0.2 -0.018 26.5-128.6 -43.7 151.9 5.9 13.6 -13.5 74 74 A N + 0 0 59 1,-0.2 -1,-0.1 6,-0.1 6,-0.1 -0.499 63.5 129.1-105.7 64.6 9.6 13.8 -14.4 75 75 A N S S- 0 0 91 -2,-0.7 -1,-0.2 2,-0.4 3,-0.1 0.454 77.4-116.0 -94.5 -1.4 10.1 17.6 -14.2 76 76 A S S S+ 0 0 80 1,-0.2 2,-0.4 -3,-0.2 -73,-0.2 -0.091 90.9 98.9 91.2 -34.5 13.1 17.2 -11.9 77 77 A I S S+ 0 0 114 -75,-0.1 -2,-0.4 2,-0.0 -1,-0.2 -0.681 84.7 5.1 -85.5 133.5 11.3 18.9 -9.1 78 78 A G S S- 0 0 30 -2,-0.4 -75,-0.6 -3,-0.1 124,-0.1 -0.341 109.7 -41.4 87.9-175.6 9.8 16.5 -6.5 79 79 A V - 0 0 10 -77,-0.1 2,-0.4 -2,-0.1 -3,-0.2 -0.058 55.9-126.6 -76.0-174.5 10.2 12.7 -6.6 80 80 A L - 0 0 3 -77,-0.3 -7,-0.1 -6,-0.1 -6,-0.1 -0.916 17.3-161.0-141.0 113.6 10.1 10.6 -9.8 81 81 A G - 0 0 0 -9,-0.6 -12,-0.2 -2,-0.4 -11,-0.1 0.035 42.6 -91.5 -76.5-165.7 7.9 7.5 -10.2 82 82 A V S S+ 0 0 1 -13,-0.5 -11,-0.2 -14,-0.2 -12,-0.1 0.851 111.4 53.4 -80.3 -32.7 8.5 4.9 -12.8 83 83 A A - 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