==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 11-MAY-00 1EZU . COMPND 2 MOLECULE: ECOTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.A.GILLMOR,T.TAKEUCHI,S.Q.YANG,C.S.CRAIK,R.J.FLETTERICK . 726 4 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 242 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 75 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 PARALLEL BRIDGES PER LADDER . 8 11 5 10 4 7 1 2 0 1 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 1 2 2 0 1 0 0 0 0 1 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 3 A S 0 0 150 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.8 14.6 11.6 55.7 2 4 A V - 0 0 91 1,-0.1 3,-0.1 22,-0.0 22,-0.0 -0.377 360.0-110.6 -68.3 138.0 12.6 8.9 53.7 3 5 A Q - 0 0 117 1,-0.1 -1,-0.1 -2,-0.1 5,-0.1 -0.405 35.6 -95.7 -71.5 140.5 10.7 6.2 55.7 4 6 A P > - 0 0 74 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.175 32.1-123.2 -53.4 140.6 11.7 2.5 55.7 5 7 A L G >> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-1.5 0.885 111.3 59.0 -56.0 -37.6 9.7 0.6 53.1 6 8 A E G 34 S+ 0 0 87 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.855 95.6 61.0 -61.2 -36.5 8.5 -1.8 55.9 7 9 A K G <4 S+ 0 0 69 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.255 110.4 43.9 -76.5 13.1 7.0 1.1 57.9 8 10 A I T <4 S- 0 0 49 -3,-1.5 -2,-0.2 1,-0.4 -1,-0.2 0.597 130.8 -33.4-120.4 -45.5 4.7 1.7 54.8 9 11 A A < - 0 0 2 -4,-1.9 2,-2.3 2,-0.1 -1,-0.4 -0.971 67.4 -81.8-170.3 165.2 3.8 -1.9 54.0 10 12 A P + 0 0 76 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.285 55.2 171.2 -73.6 55.0 5.0 -5.5 54.0 11 13 A Y - 0 0 5 -2,-2.3 -2,-0.1 -6,-0.2 -3,-0.0 -0.492 39.4-104.2 -65.4 133.8 6.9 -5.3 50.7 12 14 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.082 30.0-106.1 -56.8 157.1 9.0 -8.6 50.3 13 15 A Q - 0 0 121 -3,-0.1 2,-0.1 1,-0.1 6,-0.0 -0.704 42.7-102.4 -86.0 139.0 12.7 -8.8 50.9 14 16 A A - 0 0 35 -2,-0.3 6,-0.1 1,-0.1 3,-0.1 -0.393 40.0-123.8 -61.8 131.1 14.7 -9.0 47.7 15 17 A E > - 0 0 136 1,-0.1 3,-2.2 4,-0.1 2,-0.2 -0.350 37.1 -81.8 -73.0 160.1 15.8 -12.7 47.1 16 18 A K T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.461 124.1 35.9 -61.3 130.6 19.5 -13.6 46.7 17 19 A G T 3 S+ 0 0 44 1,-0.4 102,-2.1 -2,-0.2 103,-0.3 0.120 116.9 66.8 106.9 -17.2 20.4 -12.9 43.1 18 20 A M E < -A 118 0A 60 -3,-2.2 -1,-0.4 100,-0.3 2,-0.3 -0.816 63.2-151.1-130.6 169.1 18.1 -9.9 43.1 19 21 A K E -A 117 0A 42 98,-2.7 98,-2.1 -2,-0.3 2,-0.7 -0.970 19.4-122.6-140.2 155.4 17.8 -6.4 44.6 20 22 A R E -A 116 0A 13 -2,-0.3 261,-1.6 96,-0.2 2,-0.3 -0.877 27.3-168.1-104.1 113.9 14.9 -4.2 45.5 21 23 A Q E -AB 115 280A 6 94,-3.0 94,-2.0 -2,-0.7 2,-0.4 -0.826 4.1-159.6-103.4 148.4 14.9 -0.8 43.9 22 24 A V E -AB 114 279A 2 257,-1.5 257,-1.9 -2,-0.3 2,-0.4 -0.975 13.7-167.5-136.7 132.9 12.6 2.1 44.9 23 25 A I E -A 113 0A 2 90,-2.4 90,-1.9 -2,-0.4 2,-0.5 -0.910 7.1-169.8-114.2 133.5 11.4 5.4 43.4 24 26 A Q - 0 0 68 -2,-0.4 2,-0.1 88,-0.2 85,-0.1 -0.936 14.0-150.0-125.8 108.4 9.6 8.0 45.6 25 27 A L - 0 0 9 86,-0.5 3,-0.0 -2,-0.5 -2,-0.0 -0.436 15.7-120.7 -81.6 144.7 8.0 10.8 43.7 26 28 A T - 0 0 90 -2,-0.1 83,-0.1 1,-0.1 2,-0.1 -0.626 40.2 -94.7 -80.9 146.9 7.7 14.2 45.2 27 29 A P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.369 41.9-171.9 -63.2 137.9 4.1 15.5 45.5 28 30 A Q - 0 0 92 1,-0.1 3,-0.4 -2,-0.1 81,-0.1 -0.898 33.0-117.6-126.3 156.5 2.7 17.7 42.8 29 31 A E S S+ 0 0 202 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.941 107.4 24.1 -61.3 -46.0 -0.5 19.6 42.7 30 32 A D > + 0 0 72 1,-0.1 3,-1.0 -3,-0.1 -1,-0.3 -0.814 61.6 170.4-127.1 94.2 -2.0 17.7 39.8 31 33 A E G > + 0 0 34 -2,-0.5 3,-0.8 -3,-0.4 76,-0.5 0.358 68.6 81.9 -83.7 6.8 -0.5 14.2 39.3 32 34 A S G 3 S+ 0 0 83 1,-0.2 -1,-0.2 74,-0.1 75,-0.1 0.753 89.8 52.7 -78.5 -29.8 -3.1 13.4 36.7 33 35 A T G < S+ 0 0 36 -3,-1.0 97,-2.1 97,-0.1 2,-0.3 0.090 102.9 77.8 -92.9 19.1 -1.1 15.2 34.2 34 36 A L E < +N 129 0B 10 -3,-0.8 73,-1.5 95,-0.2 2,-0.3 -0.964 48.4 174.0-134.1 148.4 2.1 13.2 35.0 35 37 A K E -NO 128 106B 44 93,-1.7 93,-2.5 -2,-0.3 2,-0.4 -0.945 22.1-136.5-143.5 154.7 3.4 9.7 34.2 36 38 A V E -NO 127 105B 0 69,-1.7 69,-2.5 -2,-0.3 2,-0.5 -0.979 11.8-148.9-120.0 130.5 6.8 8.1 35.0 37 39 A E E -NO 126 104B 34 89,-3.6 89,-2.1 -2,-0.4 2,-0.4 -0.861 12.6-137.6 -98.7 127.7 8.7 6.0 32.5 38 40 A L E -N 125 0B 5 65,-2.5 2,-0.6 -2,-0.5 87,-0.2 -0.708 12.7-166.2 -86.5 131.4 10.8 3.2 33.7 39 41 A L E +N 124 0B 21 85,-3.0 85,-2.2 -2,-0.4 2,-0.4 -0.944 18.2 179.3-115.4 103.3 14.3 2.8 32.0 40 42 A I E +N 123 0B 0 -2,-0.6 57,-2.2 57,-0.4 2,-0.3 -0.896 21.4 80.4-114.8 138.4 15.6 -0.6 33.0 41 43 A G E -NP 122 96B 0 81,-2.1 81,-2.8 -2,-0.4 2,-0.3 -0.984 59.2 -79.0 164.6-171.4 18.9 -2.2 32.0 42 44 A Q E - P 0 95B 39 53,-1.3 53,-2.4 -2,-0.3 2,-0.6 -0.853 35.0-110.4-124.6 157.9 22.6 -2.7 32.4 43 45 A T E + P 0 94B 70 -2,-0.3 2,-0.3 51,-0.2 51,-0.2 -0.809 48.1 161.8 -89.1 120.7 25.8 -0.8 31.4 44 46 A L E - P 0 93B 58 49,-2.0 49,-2.2 -2,-0.6 2,-0.6 -0.883 45.9-110.1-134.9 164.1 27.8 -2.7 28.7 45 47 A E E + P 0 92B 148 -2,-0.3 2,-0.3 47,-0.2 47,-0.3 -0.888 53.3 169.2 -93.4 121.9 30.5 -2.2 26.1 46 48 A V E - P 0 91B 17 45,-3.6 45,-1.6 -2,-0.6 5,-0.0 -0.969 30.8-111.1-141.5 152.8 28.7 -2.5 22.8 47 49 A D - 0 0 47 -2,-0.3 -1,-0.2 43,-0.2 44,-0.1 0.369 48.6 -81.4 -67.3-156.0 29.2 -2.0 19.1 48 50 A a S S+ 0 0 62 35,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.359 94.9 105.0 -90.3 -1.7 27.6 0.6 16.7 49 51 A N S S- 0 0 9 34,-0.1 2,-0.4 32,-0.1 33,-0.0 -0.312 82.6 -96.5 -75.8 162.2 24.5 -1.5 16.3 50 52 A L - 0 0 68 -2,-0.1 31,-1.6 496,-0.0 2,-0.3 -0.711 49.7-169.1 -81.4 129.8 21.1 -0.8 17.8 51 53 A H E -C 80 0A 35 -2,-0.4 2,-0.3 29,-0.2 45,-0.3 -0.888 21.0-177.6-126.4 151.2 20.6 -2.9 21.0 52 54 A R E -C 79 0A 11 27,-1.5 27,-1.9 -2,-0.3 45,-0.3 -0.946 26.3-127.0-147.9 125.9 17.8 -3.8 23.4 53 55 A L E -v 97 0C 1 43,-2.2 45,-0.8 -2,-0.3 2,-0.3 -0.272 25.8-114.7 -69.0 154.0 18.2 -5.9 26.5 54 56 A G E +C 76 0A 2 22,-1.8 22,-0.7 43,-0.2 2,-0.2 -0.707 58.6 101.2 -91.2 151.1 16.1 -9.0 27.2 55 57 A G E - 0 0 24 -2,-0.3 2,-0.4 20,-0.3 19,-0.2 -0.577 51.8-119.7 146.6 150.0 13.6 -9.2 30.1 56 58 A K E -C 73 0A 95 17,-2.6 17,-1.8 -2,-0.2 2,-0.7 -0.909 14.4-142.5-119.8 138.0 9.9 -8.9 31.1 57 59 A L E -C 72 0A 16 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.876 21.1-166.4-101.8 112.7 8.2 -6.5 33.6 58 60 A E E -C 71 0A 66 13,-2.9 13,-1.8 -2,-0.7 2,-0.3 -0.791 13.3-137.4-101.6 139.7 5.4 -8.1 35.7 59 61 A N E +C 70 0A 107 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.687 27.4 178.9 -92.2 138.4 2.8 -6.2 37.8 60 62 A K E -C 69 0A 80 9,-2.0 9,-2.6 -2,-0.3 2,-0.4 -0.968 19.4-141.1-139.9 156.9 2.0 -7.6 41.2 61 63 A T E -C 68 0A 65 -2,-0.3 2,-0.8 7,-0.2 -2,-0.0 -0.962 21.5-123.1-121.7 137.0 -0.2 -6.8 44.1 62 64 A L E >>> -C 67 0A 18 5,-2.8 3,-1.7 -2,-0.4 4,-1.4 -0.704 45.4-111.7 -76.9 111.6 0.6 -7.1 47.8 63 65 A E T 345S+ 0 0 175 -2,-0.8 -1,-0.1 1,-0.3 430,-0.1 -0.115 94.5 10.3 -49.2 135.5 -2.1 -9.3 49.1 64 66 A G T 345S+ 0 0 13 429,-0.1 433,-1.6 1,-0.1 432,-0.5 0.605 125.4 65.6 71.2 10.8 -4.7 -7.9 51.4 65 67 A W T <45S- 0 0 18 -3,-1.7 -2,-0.2 431,-0.2 429,-0.1 0.562 85.3-139.3-131.7 -29.0 -3.4 -4.4 50.6 66 68 A G T <5 + 0 0 7 -4,-1.4 -3,-0.1 1,-0.3 428,-0.1 0.711 53.2 144.4 71.0 14.8 -4.0 -3.6 47.0 67 69 A F E < -C 62 0A 6 -5,-0.7 -5,-2.8 289,-0.0 2,-0.3 -0.712 43.3-133.5 -86.8 134.3 -0.5 -2.0 46.9 68 70 A P E +C 61 0A 27 0, 0.0 2,-0.3 0, 0.0 46,-0.3 -0.659 28.0 168.3 -94.9 149.0 1.3 -2.5 43.5 69 71 A Y E -C 60 0A 33 -9,-2.6 -9,-2.0 -2,-0.3 2,-0.2 -0.989 21.5-134.2-147.4 152.8 4.9 -3.6 42.9 70 72 A Y E -Cd 59 115A 32 44,-2.5 46,-1.5 -2,-0.3 2,-0.4 -0.690 7.4-160.1-112.4 155.8 6.9 -4.7 39.9 71 73 A V E -Cd 58 116A 24 -13,-1.8 -13,-2.9 -2,-0.2 2,-0.5 -0.976 4.2-161.8-135.8 121.8 9.3 -7.6 39.1 72 74 A F E +C 57 0A 1 44,-3.2 2,-0.2 -2,-0.4 -15,-0.2 -0.914 32.4 133.5-103.8 127.4 11.7 -7.6 36.2 73 75 A D E +C 56 0A 49 -17,-1.8 -17,-2.6 -2,-0.5 -2,-0.0 -0.859 30.4 75.5-152.9-169.2 13.2 -10.9 35.2 74 76 A K E + 0 0 124 -2,-0.2 2,-0.1 -19,-0.2 -1,-0.1 0.828 65.4 178.1 60.1 34.1 13.9 -13.3 32.3 75 77 A V E + 0 0 47 -20,-0.1 2,-0.3 -3,-0.1 -20,-0.3 -0.446 5.1 171.2 -70.6 138.0 16.9 -11.1 31.5 76 78 A S E -C 54 0A 50 -22,-0.7 -22,-1.8 -2,-0.1 3,-0.1 -0.900 41.8 -77.5-139.0 168.3 19.1 -12.1 28.5 77 79 A S E - 0 0 64 -2,-0.3 -1,-0.0 -24,-0.2 -25,-0.0 -0.307 67.9 -81.3 -64.8 156.5 22.0 -10.6 26.5 78 80 A P E - 0 0 22 0, 0.0 2,-0.3 0, 0.0 624,-0.3 0.026 31.9-138.9 -60.9 158.3 20.9 -8.0 24.0 79 81 A V E -C 52 0A 7 -27,-1.9 -27,-1.5 622,-0.1 2,-0.3 -0.812 33.8-179.5-109.8 155.7 19.5 -8.6 20.6 80 82 A S E -CE 51 700A 19 620,-2.7 620,-2.0 -2,-0.3 -29,-0.2 -0.997 32.1 -88.5-158.9 162.2 20.8 -6.3 18.0 81 83 A T E - E 0 699A 0 -31,-1.6 618,-0.2 -2,-0.3 -32,-0.1 -0.190 37.5-129.2 -63.6 159.6 20.8 -5.2 14.4 82 84 A M + 0 0 1 616,-1.2 601,-2.3 597,-0.1 599,-1.6 -0.380 57.6 128.5-113.0 51.6 23.4 -7.0 12.1 83 85 A M - 0 0 13 597,-0.2 2,-0.4 599,-0.2 448,-0.2 -0.600 60.3 -98.4 -99.9 166.3 25.2 -4.1 10.4 84 86 A A - 0 0 3 446,-2.6 444,-0.1 -2,-0.2 -2,-0.0 -0.711 30.2-147.9 -93.7 135.5 29.0 -3.6 10.2 85 87 A a - 0 0 24 -2,-0.4 444,-0.1 1,-0.1 3,-0.1 -0.695 12.8-126.0 -99.2 154.3 31.0 -1.3 12.5 86 88 A P S S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 443,-0.1 0.986 91.4 9.1 -56.0 -86.3 34.1 0.8 11.8 87 89 A D S S- 0 0 83 2,-0.1 3,-0.2 1,-0.1 -2,-0.0 0.215 90.3-113.2 -92.5 18.1 37.0 0.2 14.2 88 90 A G + 0 0 66 1,-0.2 2,-1.5 -3,-0.1 -1,-0.1 0.687 67.1 156.6 55.9 14.8 35.7 -2.8 16.2 89 91 A K - 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