==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-07 2VID . COMPND 2 MOLECULE: SERINE PROTEASE SPLB; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR G.DUBIN,J.STEC-NIEMCZYK,M.KISIELEWSKA,K.PUSTELNY, . 399 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 35.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 . 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 . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 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 3 0 0 0 0 1 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 8 10 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 2 2 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 E 0 0 52 0, 0.0 149,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 150.1 10.6 40.6 7.3 2 2 A N + 0 0 90 147,-0.2 2,-0.4 148,-0.1 133,-0.1 -0.703 360.0 137.3-129.4 79.3 12.9 43.4 7.8 3 3 A N E +A 134 0A 73 131,-0.6 131,-2.2 -2,-0.3 2,-0.5 -0.785 20.4 161.7-126.8 86.4 12.9 43.9 11.6 4 4 A V E +A 133 0A 39 -2,-0.4 2,-0.4 129,-0.2 129,-0.2 -0.917 10.0 177.2-113.3 127.6 16.5 44.5 12.6 5 5 A T E -A 132 0A 68 127,-2.9 127,-2.8 -2,-0.5 2,-0.2 -0.985 32.8-108.5-136.4 144.3 17.2 46.0 16.0 6 6 A K E -A 131 0A 83 -2,-0.4 2,-0.6 125,-0.2 125,-0.3 -0.488 39.8-112.7 -69.5 133.4 20.4 46.8 18.0 7 7 A V - 0 0 13 123,-2.8 3,-0.2 -2,-0.2 123,-0.2 -0.565 24.2-160.1 -71.8 116.3 20.9 44.5 21.0 8 8 A K S S+ 0 0 108 -2,-0.6 2,-0.6 1,-0.2 -1,-0.2 0.974 80.7 26.5 -61.2 -56.1 20.5 46.6 24.1 9 9 A D > + 0 0 82 1,-0.1 3,-0.6 46,-0.1 -1,-0.2 -0.908 59.3 176.6-118.9 111.4 22.4 44.3 26.5 10 10 A T T 3 S+ 0 0 12 -2,-0.6 8,-0.2 -3,-0.2 -1,-0.1 0.416 73.5 70.6 -91.8 1.4 25.0 42.0 24.9 11 11 A N T 3 S+ 0 0 62 2,-0.1 2,-0.3 5,-0.1 -1,-0.2 0.051 87.1 74.7-110.2 21.4 26.2 40.6 28.3 12 12 A I S X> S- 0 0 86 -3,-0.6 3,-1.0 0, 0.0 4,-0.9 -0.884 89.3 -52.2-126.7 163.0 23.0 38.5 29.0 13 13 A F T 34 S+ 0 0 104 1,-0.3 -2,-0.1 -2,-0.3 88,-0.0 -0.536 118.1 23.0 -70.8 143.4 21.7 35.3 27.6 14 14 A P T >4 S+ 0 0 4 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 -0.997 123.3 56.3 -84.5 -2.8 21.3 34.4 24.7 15 15 A Y G X4 S+ 0 0 34 -3,-1.0 3,-1.6 1,-0.3 -2,-0.2 0.694 91.9 71.8 -70.0 -21.3 23.8 37.0 23.6 16 16 A T G 3< S+ 0 0 13 -4,-0.9 86,-1.4 1,-0.3 -1,-0.3 0.509 90.7 62.3 -68.9 -4.6 26.5 35.5 25.8 17 17 A G G < S+ 0 0 0 -3,-2.1 11,-2.8 84,-0.2 2,-0.3 0.416 89.1 91.6 -93.3 -1.2 26.6 32.6 23.3 18 18 A V E < -I 27 0B 0 -3,-1.6 35,-2.6 9,-0.2 2,-0.3 -0.741 53.1-173.3-103.8 142.0 27.7 34.9 20.5 19 19 A V E -IJ 26 52B 0 7,-2.2 7,-1.9 -2,-0.3 2,-0.5 -0.922 16.3-128.1-129.1 157.8 31.3 35.7 19.4 20 20 A A E -IJ 25 51B 0 31,-2.8 31,-1.9 -2,-0.3 5,-0.2 -0.916 15.3-174.8-112.3 127.9 32.8 38.1 16.9 21 21 A F - 0 0 3 3,-2.2 3,-0.3 -2,-0.5 29,-0.1 -0.456 58.2 -78.3 -89.9-179.2 35.3 37.6 14.1 22 22 A K S S- 0 0 69 1,-0.2 132,-0.0 -2,-0.2 28,-0.0 0.905 120.5 -10.2 -46.9 -52.7 36.6 40.7 12.1 23 23 A S S S+ 0 0 70 130,-0.1 2,-0.3 17,-0.1 133,-0.2 -0.117 127.7 63.0-145.1 42.5 33.4 41.0 10.0 24 24 A A - 0 0 6 -3,-0.3 -3,-2.2 131,-0.1 2,-0.3 -0.920 67.6-121.0-155.5 177.0 31.5 37.9 10.7 25 25 A T E +I 20 0B 0 131,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.762 22.7 169.4-119.4 159.6 29.7 36.0 13.6 26 26 A G E -I 19 0B 0 -7,-1.9 -7,-2.2 -2,-0.3 2,-0.3 -0.930 17.7-141.7-152.5-172.5 30.0 32.6 15.3 27 27 A F E -IK 18 35B 0 8,-1.8 8,-2.5 -2,-0.3 2,-0.3 -0.990 22.1 -97.0-155.4 160.2 28.5 31.1 18.4 28 28 A V E + K 0 34B 0 -11,-2.8 76,-1.9 -2,-0.3 6,-0.3 -0.571 35.0 164.6 -84.8 133.8 29.3 28.8 21.3 29 29 A V E - 0 0 9 4,-2.7 2,-0.3 -2,-0.3 350,-0.2 0.517 63.7 -30.1-120.9 -11.1 28.3 25.1 21.1 30 30 A G E > S- K 0 33B 9 3,-1.5 3,-2.2 348,-0.1 -1,-0.3 -0.980 98.2 -14.0-178.8-168.3 30.4 23.5 23.8 31 31 A K T 3 S- 0 0 85 -2,-0.3 169,-0.9 1,-0.3 3,-0.1 -0.274 127.1 -21.1 -56.7 123.7 33.6 23.5 25.9 32 32 A N T 3 S+ 0 0 0 1,-0.1 51,-2.6 167,-0.1 2,-0.4 0.658 116.1 121.2 51.0 22.5 36.1 25.8 24.2 33 33 A T E < +KL 30 82B 0 -3,-2.2 -4,-2.7 49,-0.2 -3,-1.5 -0.966 37.4 176.2-133.3 133.1 34.2 25.4 20.9 34 34 A I E -KL 28 81B 0 47,-3.3 47,-2.9 -2,-0.4 2,-0.4 -0.796 18.9-139.4-125.1 156.9 32.4 27.7 18.5 35 35 A L E +KL 27 80B 0 -8,-2.5 -8,-1.8 -2,-0.3 2,-0.3 -0.937 31.9 147.5-112.6 143.2 30.6 27.2 15.1 36 36 A T E - L 0 79B 0 43,-2.2 43,-2.7 -2,-0.4 2,-0.3 -0.844 50.1 -72.8-149.5-168.3 30.8 29.6 12.1 37 37 A N >> - 0 0 0 -12,-0.4 4,-2.5 -2,-0.3 3,-0.9 -0.672 31.3-124.9 -90.6 155.4 30.7 29.2 8.3 38 38 A K H 3> S+ 0 0 41 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.880 113.5 60.8 -59.9 -35.0 33.6 27.6 6.2 39 39 A H H 34 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.715 109.7 43.0 -72.3 -16.3 33.6 30.8 4.2 40 40 A V H X4 S+ 0 0 5 -3,-0.9 3,-1.8 2,-0.1 -2,-0.2 0.898 112.6 48.4 -82.3 -53.5 34.4 32.6 7.4 41 41 A S H >< S+ 0 0 3 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.737 95.2 74.6 -65.3 -20.5 37.0 30.3 8.8 42 42 A K T 3< S+ 0 0 143 -4,-2.0 -1,-0.3 1,-0.3 -3,-0.1 0.776 96.0 51.5 -64.7 -21.2 38.9 30.1 5.5 43 43 A N T < S+ 0 0 112 -3,-1.8 -1,-0.3 -5,-0.2 2,-0.2 0.416 106.7 67.9 -88.7 -0.9 40.2 33.6 6.3 44 44 A Y < - 0 0 44 -3,-2.0 2,-0.3 -4,-0.2 25,-0.0 -0.713 60.8-166.0-114.7 165.8 41.4 32.6 9.7 45 45 A K > - 0 0 128 -2,-0.2 3,-2.1 4,-0.0 21,-0.3 -0.944 41.3 -73.2-141.7 165.3 44.1 30.4 11.1 46 46 A V T 3 S+ 0 0 84 -2,-0.3 21,-0.2 1,-0.2 3,-0.1 -0.396 121.0 35.5 -51.3 131.9 45.2 28.8 14.3 47 47 A G T 3 S+ 0 0 35 19,-2.2 -1,-0.2 1,-0.4 2,-0.1 0.195 89.0 117.9 97.6 -16.9 46.5 31.6 16.5 48 48 A D < - 0 0 34 -3,-2.1 18,-3.1 17,-0.1 -1,-0.4 -0.400 61.7-115.8 -72.9 169.0 44.1 34.3 15.3 49 49 A R E - M 0 65B 139 16,-0.2 2,-0.3 -3,-0.1 16,-0.2 -0.692 22.8-169.1-115.3 150.9 41.7 35.8 17.8 50 50 A I E - M 0 64B 2 14,-2.2 14,-2.8 -2,-0.3 2,-0.4 -0.954 18.2-136.7-128.0 157.0 38.0 36.0 18.4 51 51 A T E -JM 20 63B 15 -31,-1.9 -31,-2.8 -2,-0.3 2,-0.4 -0.948 16.5-130.8-117.8 131.0 36.1 38.2 20.9 52 52 A A E S-J 19 0B 0 10,-3.0 9,-3.2 -2,-0.4 10,-0.4 -0.698 74.2 -30.0 -85.7 131.8 33.3 36.9 23.1 53 53 A H S S- 0 0 14 -35,-2.6 -1,-0.2 -2,-0.4 -34,-0.1 0.730 78.7-164.4 30.5 58.5 30.1 39.0 23.1 54 54 A P - 0 0 4 0, 0.0 76,-0.3 0, 0.0 6,-0.3 -0.317 5.6-144.5 -67.5 148.0 31.6 42.4 22.5 55 55 A N - 0 0 34 4,-3.0 73,-0.6 74,-0.1 -46,-0.1 -0.541 32.6 -94.5-101.9 175.0 29.5 45.5 23.2 56 56 A S S S+ 0 0 64 -2,-0.2 73,-0.1 71,-0.1 72,-0.0 0.771 114.4 39.7 -63.2 -26.8 29.6 48.8 21.2 57 57 A D S S- 0 0 100 70,-0.1 -1,-0.1 2,-0.1 72,-0.0 0.968 125.8 -63.7 -93.0 -66.8 32.2 50.6 23.5 58 58 A K S S+ 0 0 89 1,-0.1 2,-0.2 69,-0.0 -2,-0.1 0.315 90.6 115.2-167.1 -14.2 35.0 48.4 24.8 59 59 A G + 0 0 43 2,-0.0 -4,-3.0 -5,-0.0 2,-0.3 -0.504 32.3 148.2 -81.6 143.1 33.4 45.7 27.0 60 60 A N - 0 0 41 -6,-0.3 -7,-0.2 -2,-0.2 3,-0.1 -0.928 56.8-104.4-157.7 176.0 33.5 41.9 26.1 61 61 A G S S- 0 0 0 -9,-3.2 30,-0.3 1,-0.4 -8,-0.1 0.229 85.2 -70.9 -94.7 13.7 33.7 38.4 27.6 62 62 A G - 0 0 0 -10,-0.4 -10,-3.0 28,-0.2 2,-0.4 -0.367 43.6 -94.2 119.0 163.3 37.3 38.0 26.7 63 63 A I E -MN 51 89B 26 26,-2.0 25,-2.4 -12,-0.2 26,-1.5 -0.961 43.6-166.6-115.1 128.6 39.6 37.7 23.7 64 64 A Y E -M 50 0B 0 -14,-2.8 -14,-2.2 -2,-0.4 2,-0.4 -0.920 18.1-123.7-126.4 147.3 40.5 34.1 22.8 65 65 A S E -M 49 0B 20 21,-0.4 19,-2.6 -2,-0.3 2,-0.3 -0.697 28.4-119.3 -88.4 134.5 43.1 32.4 20.6 66 66 A I E +O 83 0B 1 -18,-3.1 -19,-2.2 -2,-0.4 17,-0.3 -0.568 33.3 173.4 -70.2 129.5 42.0 29.9 17.9 67 67 A K E + 0 0 58 15,-3.0 2,-0.3 1,-0.4 16,-0.2 0.584 63.2 13.7-111.3 -17.1 43.5 26.4 18.5 68 68 A K E -O 82 0B 100 14,-1.7 14,-2.4 -23,-0.1 2,-0.4 -0.964 51.5-161.7-158.1 144.7 41.8 24.3 15.9 69 69 A I E +O 81 0B 52 -2,-0.3 2,-0.5 12,-0.2 12,-0.2 -0.999 15.6 179.1-127.6 122.1 39.7 24.7 12.7 70 70 A I E -O 80 0B 26 10,-3.2 10,-3.3 -2,-0.4 2,-0.2 -0.926 13.0-154.5-130.1 106.5 37.7 21.7 11.6 71 71 A N E -O 79 0B 76 -2,-0.5 8,-0.2 8,-0.3 6,-0.1 -0.575 26.3-109.8 -79.3 144.4 35.5 22.0 8.5 72 72 A Y - 0 0 11 6,-2.4 2,-1.1 -2,-0.2 6,-0.2 -0.543 26.9-127.5 -69.1 124.4 32.5 19.8 8.1 73 73 A P S S+ 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.653 78.8 64.1 -76.0 101.8 33.0 17.2 5.3 74 74 A G S S- 0 0 38 -2,-1.1 4,-0.2 2,-0.1 -2,-0.0 -0.897 101.6 -77.3 163.4 173.5 29.9 17.8 3.3 75 75 A K S S+ 0 0 182 -2,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.818 92.0 106.6 -65.3 -30.1 28.3 20.5 1.2 76 76 A E S S- 0 0 31 1,-0.1 2,-2.0 -3,-0.1 -4,-0.2 -0.190 76.9-123.8 -66.9 141.0 27.1 22.5 4.2 77 77 A D + 0 0 29 93,-0.1 2,-0.4 -40,-0.1 -1,-0.1 -0.468 64.7 129.8 -86.4 70.8 28.8 25.7 5.1 78 78 A V + 0 0 0 -2,-2.0 -6,-2.4 -41,-0.3 2,-0.4 -0.989 30.4 179.3-132.7 129.5 29.7 24.7 8.7 79 79 A S E -LO 36 71B 0 -43,-2.7 -43,-2.2 -2,-0.4 2,-0.4 -0.998 20.1-140.6-133.1 137.8 33.1 24.9 10.5 80 80 A V E -LO 35 70B 0 -10,-3.3 -10,-3.2 -2,-0.4 2,-0.5 -0.831 18.6-169.0 -96.8 131.0 34.0 24.0 14.1 81 81 A I E -LO 34 69B 1 -47,-2.9 -47,-3.3 -2,-0.4 2,-0.3 -0.982 3.0-163.5-123.1 118.8 36.5 26.4 15.7 82 82 A Q E -LO 33 68B 16 -14,-2.4 -15,-3.0 -2,-0.5 -14,-1.7 -0.816 9.1-159.6 -98.0 148.2 38.2 25.5 19.1 83 83 A V E - 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0 0 8 -18,-0.4 -43,-0.1 -2,-0.3 -44,-0.1 -0.516 40.6-177.2 -82.9 86.7 32.0 -1.4 17.9 390 191 B T > - 0 0 26 -2,-1.7 4,-2.9 1,-0.1 3,-0.3 -0.295 43.9-101.1 -68.8 161.8 32.6 -1.9 14.2 391 192 B P H > S+ 0 0 110 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.864 123.8 54.9 -56.2 -34.8 34.8 -4.9 13.2 392 193 B E H > S+ 0 0 137 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.912 111.7 41.8 -64.4 -44.5 37.7 -2.6 12.7 393 194 B I H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.927 113.9 53.0 -69.2 -42.4 37.5 -1.1 16.2 394 195 B K H X S+ 0 0 73 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.900 107.0 52.6 -57.6 -42.7 36.9 -4.6 17.7 395 196 B K H X S+ 0 0 134 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.923 109.2 49.1 -60.5 -43.9 40.0 -5.9 15.9 396 197 B F H X S+ 0 0 15 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.927 113.0 47.0 -60.0 -48.6 42.1 -3.1 17.4 397 198 B I H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.939 111.7 50.8 -60.3 -45.6 40.7 -3.8 21.0 398 199 B A H >< S+ 0 0 67 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.893 107.3 53.0 -61.6 -41.3 41.3 -7.6 20.6 399 200 B E H 3< S+ 0 0 109 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.706 113.3 46.2 -63.7 -20.8 44.9 -7.1 19.5 400 201 B N T << S+ 0 0 24 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.2 0.308 77.1 115.1-113.7 7.9 45.5 -5.0 22.6 401 202 B I S < S- 0 0 45 -3,-1.0 -167,-0.1 -4,-0.4 -117,-0.1 -0.639 84.6 -95.1 -72.6 136.0 43.9 -7.0 25.4 402 203 B D 0 0 33 -169,-0.8 -169,-0.2 -2,-0.3 -1,-0.1 -0.263 360.0 360.0 -55.7 132.1 46.7 -8.1 27.7 403 204 B K 0 0 213 -4,-0.1 -1,-0.1 -169,-0.1 -4,-0.0 -0.438 360.0 360.0 -79.5 360.0 47.9 -11.6 26.7