==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAR-10 3M7T . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR D.A.AGARD,F.P.ERCIYAS BAILEY,C.A.WADDLING . 198 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 40.4 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 . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 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 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 1 3 2 3 3 3 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 1 0 0 0 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 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 53 0, 0.0 73,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 151.9 22.5 -11.7 20.2 2 2 A N E -a 74 0A 95 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.786 360.0-136.7 -85.9 126.4 25.7 -13.7 20.6 3 3 A I E +a 75 0A 0 71,-3.3 73,-1.2 -2,-0.5 2,-0.4 -0.755 34.9 161.8 -92.4 111.9 25.9 -16.3 17.8 4 4 A V E > - 0 0 12 -2,-0.7 3,-1.5 71,-0.1 15,-0.3 -0.982 43.7-101.7-130.7 137.7 27.0 -19.7 19.2 5 5 A G E 3 S+a 79 0A 1 73,-2.8 75,-3.0 -2,-0.4 15,-0.2 -0.317 103.2 23.6 -58.5 136.6 26.6 -23.1 17.5 6 6 A G T 3 S+ 0 0 4 13,-3.0 -1,-0.2 1,-0.3 102,-0.1 0.217 87.0 127.6 98.1 -15.4 23.8 -25.2 18.8 7 7 A I < - 0 0 45 -3,-1.5 12,-2.5 97,-0.1 -1,-0.3 -0.360 62.4-100.3 -76.8 157.3 21.5 -22.4 20.2 8 8 A A E +C 18 0B 44 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.448 39.9 172.2 -76.3 145.5 17.9 -22.1 19.3 9 9 A Y E -C 17 0B 2 8,-1.9 8,-2.6 -2,-0.1 2,-0.3 -0.976 22.4-132.4-143.9 153.7 16.5 -19.7 16.7 10 10 A S E -CD 16 45B 20 35,-2.2 35,-1.9 -2,-0.3 2,-0.5 -0.766 8.6-141.2-106.3 155.5 13.0 -19.3 15.2 11 11 A I E >> S-CD 15 44B 9 4,-2.2 3,-1.8 -2,-0.3 4,-0.9 -0.967 81.1 -20.4-118.3 118.9 12.0 -18.9 11.6 12 12 A N T 34 S- 0 0 88 31,-2.8 -1,-0.2 -2,-0.5 32,-0.1 0.853 117.8 -66.9 51.0 39.3 9.1 -16.5 10.7 13 13 A N T 34 S+ 0 0 115 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.720 129.9 71.9 59.1 24.2 7.9 -16.7 14.4 14 14 A A T <4 S+ 0 0 75 -3,-1.8 -2,-0.2 1,-0.3 -1,-0.1 0.524 77.8 48.6-128.9 -84.8 7.0 -20.4 13.8 15 15 A S E < -C 11 0B 76 -4,-0.9 -4,-2.2 22,-0.1 2,-0.4 -0.265 64.1-141.6 -69.4 153.4 9.6 -23.2 13.4 16 16 A L E +C 10 0B 111 -6,-0.2 -6,-0.2 -3,-0.1 2,-0.2 -0.971 28.4 159.1-117.3 129.5 12.5 -23.7 15.8 17 17 A a E -C 9 0B 6 -8,-2.6 -8,-1.9 -2,-0.4 2,-0.4 -0.689 34.3-104.5-130.7-172.4 15.9 -24.8 14.6 18 18 A S E -C 8 0B 0 125,-2.9 16,-0.3 -10,-0.2 -10,-0.2 -0.938 30.0-110.4-122.2 144.5 19.5 -24.7 15.9 19 19 A V - 0 0 0 -12,-2.5 -13,-3.0 -2,-0.4 127,-0.9 -0.465 24.8-165.1 -68.5 138.0 22.5 -22.5 14.8 20 20 A G - 0 0 0 12,-1.8 2,-0.3 125,-0.3 126,-0.3 0.906 56.0 -31.5 -84.6 -81.8 25.2 -24.3 12.9 21 21 A F E -E 32 0B 3 11,-0.9 11,-2.2 -16,-0.1 -1,-0.3 -0.999 55.2-108.1-145.2 145.4 28.3 -22.1 12.8 22 22 A S E +E 31 0B 4 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.527 47.8 170.0 -65.2 134.2 29.3 -18.4 12.8 23 23 A V E -EF 30 195B 0 7,-2.8 7,-2.0 172,-0.2 2,-0.3 -0.928 25.1-140.5-141.5 164.5 30.6 -17.4 9.4 24 24 A T E -EF 29 194B 50 170,-2.3 170,-2.6 -2,-0.3 2,-0.3 -0.949 5.7-166.8-124.6 151.7 31.6 -14.3 7.4 25 25 A R E > S-E 28 0B 127 3,-2.7 3,-1.9 -2,-0.3 2,-0.3 -0.793 72.5 -62.2-132.4 88.3 31.1 -13.4 3.8 26 26 A G T 3 S- 0 0 72 -2,-0.3 -1,-0.2 1,-0.3 168,-0.1 -0.546 120.6 -15.6 62.5-130.2 33.3 -10.4 3.3 27 27 A A T 3 S+ 0 0 108 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.569 118.1 103.1 -78.5 -8.8 31.9 -7.8 5.6 28 28 A T E < -E 25 0B 54 -3,-1.9 -3,-2.7 1,-0.0 2,-0.2 -0.614 62.5-146.6 -82.6 130.8 28.6 -9.7 6.0 29 29 A K E +EG 24 69B 64 40,-0.5 40,-2.6 -2,-0.4 2,-0.3 -0.639 33.2 140.7 -88.8 151.5 28.1 -11.7 9.2 30 30 A G E -EG 23 68B 0 -7,-2.0 -7,-2.8 38,-0.3 2,-0.3 -0.982 38.8-125.7-167.1 178.3 26.1 -14.9 9.2 31 31 A F E -EG 22 67B 0 36,-1.7 36,-2.9 -2,-0.3 2,-0.3 -0.994 21.7-129.1-138.0 147.3 25.5 -18.4 10.4 32 32 A V E +EG 21 66B 0 -11,-2.2 -12,-1.8 -2,-0.3 -11,-0.9 -0.669 38.1 151.4 -89.4 151.7 25.2 -21.7 8.5 33 33 A T E - G 0 65B 0 32,-2.4 32,-1.8 -2,-0.3 2,-0.2 -0.827 48.5 -57.0-158.2-172.0 22.2 -24.0 9.2 34 34 A A > - 0 0 0 -16,-0.3 3,-1.0 -2,-0.2 30,-0.3 -0.596 37.2-133.3 -84.6 148.0 20.1 -26.6 7.4 35 35 A G G > S+ 0 0 0 23,-0.3 3,-1.3 1,-0.2 24,-0.2 0.820 103.3 62.2 -68.2 -32.6 18.1 -25.7 4.3 36 36 A H G 3 S+ 0 0 56 1,-0.2 -1,-0.2 22,-0.2 3,-0.1 0.617 87.9 76.5 -70.6 -8.5 14.9 -27.3 5.5 37 37 A a G < S- 0 0 7 -3,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.697 109.4 -15.0 -76.0 -19.4 14.9 -24.8 8.4 38 38 A G < - 0 0 9 -3,-1.3 2,-0.2 -4,-0.2 -1,-0.2 -0.968 58.9-112.7-175.8 160.6 13.7 -21.9 6.2 39 39 A T > - 0 0 73 -2,-0.3 3,-2.3 1,-0.1 15,-0.3 -0.597 58.4 -69.3 -97.4 163.2 13.1 -20.4 2.7 40 40 A V T 3 S+ 0 0 70 1,-0.3 15,-0.2 -2,-0.2 -1,-0.1 -0.236 121.5 15.9 -53.6 134.1 15.0 -17.4 1.3 41 41 A N T 3 S+ 0 0 123 13,-3.0 -1,-0.3 1,-0.3 14,-0.1 0.323 87.2 146.3 83.1 -4.7 14.1 -14.1 3.0 42 42 A A < - 0 0 3 -3,-2.3 12,-2.3 1,-0.1 2,-0.5 -0.356 52.2-113.9 -62.4 144.3 12.6 -15.9 6.1 43 43 A T E - H 0 53B 36 10,-0.2 -31,-2.8 -3,-0.1 -30,-0.4 -0.706 25.3-154.4 -90.3 125.0 13.1 -13.9 9.3 44 44 A A E -DH 11 52B 0 8,-2.7 7,-2.7 -2,-0.5 8,-1.2 -0.791 11.7-171.0 -98.0 138.1 15.4 -15.4 12.0 45 45 A R E -DH 10 50B 53 -35,-1.9 -35,-2.2 -2,-0.4 2,-0.4 -0.974 11.2-170.9-128.5 143.1 15.0 -14.5 15.7 46 46 A I E > S- H 0 49B 23 3,-2.4 3,-2.0 -2,-0.4 -37,-0.1 -1.000 81.2 -3.8-129.3 131.4 17.0 -15.2 18.8 47 47 A G T 3 S- 0 0 89 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.781 131.7 -58.5 59.1 26.8 15.7 -14.4 22.2 48 48 A G T 3 S+ 0 0 69 1,-0.3 2,-0.4 -38,-0.0 -1,-0.3 0.381 115.3 111.2 87.4 -3.7 12.7 -12.9 20.6 49 49 A A E < S-H 46 0B 56 -3,-2.0 -3,-2.4 1,-0.0 -1,-0.3 -0.835 74.8-109.8-107.9 141.9 14.7 -10.3 18.6 50 50 A V E +H 45 0B 73 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.491 37.7 170.6 -65.0 129.2 15.2 -10.3 14.8 51 51 A V E - 0 0 1 -7,-2.7 19,-2.2 1,-0.4 2,-0.3 0.577 55.2 -57.9-115.0 -17.9 18.8 -11.2 14.0 52 52 A G E -HI 44 69B 6 -8,-1.2 -8,-2.7 17,-0.3 -1,-0.4 -0.989 51.2 -89.5 165.9-166.1 18.7 -11.6 10.2 53 53 A T E -HI 43 68B 54 15,-2.1 15,-2.8 -2,-0.3 2,-0.3 -0.965 42.1 -89.8-139.3 153.9 17.2 -13.4 7.3 54 54 A F E - I 0 67B 0 -12,-2.3 -13,-3.0 -15,-0.3 13,-0.3 -0.490 37.4-175.4 -62.6 120.8 17.8 -16.5 5.2 55 55 A A E - 0 0 38 11,-2.5 2,-0.3 1,-0.3 -1,-0.2 0.802 63.2 -12.7 -89.7 -32.8 20.1 -15.5 2.4 56 56 A A E + I 0 66B 20 10,-1.2 10,-1.8 -17,-0.1 -1,-0.3 -0.977 61.7 176.7-164.7 153.7 20.2 -18.7 0.4 57 57 A R E - I 0 65B 81 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.985 18.7-153.1-159.2 155.5 19.3 -22.4 0.8 58 58 A V E + I 0 64B 38 6,-2.7 6,-2.1 -2,-0.3 -23,-0.3 -0.959 26.6 179.9-131.7 117.3 19.2 -25.7 -1.0 59 59 A F + 0 0 21 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.817 53.9 16.4-166.2 132.6 16.6 -28.2 0.1 60 60 A P S S+ 0 0 49 0, 0.0 2,-1.9 0, 0.0 68,-0.2 0.472 121.1 40.6 -81.8-149.0 15.9 -30.9 -0.8 61 61 A G B S+j 128 0C 31 66,-2.4 68,-2.3 -2,-0.2 2,-0.2 -0.507 135.5 15.5 83.3 -68.3 18.7 -32.5 -3.0 62 62 A N S S- 0 0 54 -2,-1.9 2,-0.1 66,-0.2 68,-0.1 -0.564 79.4-137.9-109.0-174.1 21.1 -31.0 -0.5 63 63 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 -4,-0.2 -0.542 52.3 119.3-146.3 79.4 20.2 -29.6 2.9 64 64 A R E + I 0 58B 19 -6,-2.1 -6,-2.7 -30,-0.3 2,-0.3 -0.972 23.7 158.0-144.2 153.2 22.0 -26.3 3.5 65 65 A A E -GI 33 57B 0 -32,-1.8 -32,-2.4 -2,-0.3 2,-0.4 -0.980 21.5-144.8-161.5 162.0 21.4 -22.7 4.2 66 66 A W E -GI 32 56B 16 -10,-1.8 -11,-2.5 -2,-0.3 -10,-1.2 -0.998 12.1-142.9-135.1 146.5 23.0 -19.5 5.6 67 67 A V E -GI 31 54B 0 -36,-2.9 -36,-1.7 -2,-0.4 2,-0.5 -0.920 14.8-139.5-105.3 123.9 21.3 -16.7 7.5 68 68 A S E -GI 30 53B 33 -15,-2.8 -15,-2.1 -2,-0.5 -38,-0.3 -0.741 26.1-152.9 -84.9 122.8 22.6 -13.2 6.8 69 69 A L E -GI 29 52B 13 -40,-2.6 -40,-0.5 -2,-0.5 -17,-0.3 -0.590 16.0-106.4-101.0 156.5 22.8 -11.3 10.1 70 70 A T > - 0 0 62 -19,-2.2 3,-1.9 -2,-0.2 -1,-0.1 -0.411 37.3-110.5 -71.0 156.1 22.6 -7.6 11.0 71 71 A S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.687 113.0 72.5 -63.3 -16.5 25.9 -6.0 11.9 72 72 A A T 3 S+ 0 0 77 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.656 78.1 97.7 -73.3 -15.1 24.6 -5.7 15.5 73 73 A Q S < S- 0 0 11 -3,-1.9 2,-0.6 -22,-0.2 -71,-0.2 -0.399 72.4-131.8 -75.6 151.9 25.1 -9.5 16.0 74 74 A T E -a 2 0A 64 -73,-2.5 -71,-3.3 -2,-0.1 2,-0.3 -0.910 16.1-151.3-109.7 110.0 28.2 -10.9 17.7 75 75 A L E -a 3 0A 29 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.1 -0.611 15.9-172.3 -79.5 135.6 29.8 -13.8 15.9 76 76 A L E - 0 0 34 -73,-1.2 2,-1.7 -2,-0.3 -54,-0.5 -0.984 30.3-131.5-133.3 141.7 31.7 -16.3 18.1 77 77 A P E S+ 0 0 18 0, 0.0 11,-2.6 0, 0.0 2,-0.3 -0.367 74.9 97.4 -84.3 56.3 34.0 -19.2 17.2 78 78 A R E - B 0 87A 81 -2,-1.7 -73,-2.8 -75,-0.3 2,-0.4 -0.995 57.4-147.8-152.5 156.7 32.2 -21.6 19.5 79 79 A V E -aB 5 86A 0 7,-2.4 7,-2.7 -2,-0.3 -73,-0.2 -0.937 36.7-105.8-121.7 138.9 29.6 -24.3 19.9 80 80 A A E + B 0 85A 19 -75,-3.0 2,-0.3 -2,-0.4 5,-0.2 -0.433 33.4 174.9 -69.6 133.4 27.5 -24.9 23.0 81 81 A N E > - 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