==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-08 2ZXC . COMPND 2 MOLECULE: NEUTRAL CERAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR H.OKANO,T.INOUE,N.OKINO,Y.KAKUTA,H.MATSUMURA,M.ITO . 1286 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 839 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 265 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 4 0.3 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 . 115 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.3 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 6 0 6 0 0 0 0 1 1 0 2 2 0 0 2 1 1 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 0 5 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 PARALLEL BRIDGES PER LADDER . 6 14 6 2 4 2 3 5 6 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 . 12 0 2 0 4 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 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 2 A D 0 0 217 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.9 -5.7 -4.5 97.4 2 3 A L - 0 0 50 1,-0.1 142,-0.1 2,-0.1 47,-0.1 -0.721 360.0-128.3-102.3 153.3 -5.3 -5.2 93.7 3 4 A P S S+ 0 0 37 0, 0.0 46,-1.9 0, 0.0 2,-0.3 0.838 85.3 20.8 -65.4 -36.2 -2.7 -7.3 91.9 4 5 A Y E -AB 48 143A 3 139,-1.4 139,-2.4 44,-0.2 2,-0.4 -0.821 56.0-148.9-132.5 172.5 -1.6 -4.7 89.4 5 6 A R E -AB 47 142A 92 42,-1.9 42,-3.5 137,-0.3 2,-0.3 -0.974 22.3-172.9-135.0 141.8 -1.6 -1.0 88.6 6 7 A F E -AB 46 141A 0 135,-2.6 135,-2.3 -2,-0.4 2,-0.4 -0.980 12.5-158.0-140.3 153.6 -1.7 0.2 85.0 7 8 A G E -A 45 0A 0 38,-2.1 38,-2.7 -2,-0.3 2,-0.6 -0.999 6.9-156.0-133.7 130.1 -1.3 3.6 83.3 8 9 A L E +A 44 0A 7 -2,-0.4 2,-0.3 131,-0.3 36,-0.2 -0.925 19.1 173.9-111.5 118.8 -2.7 4.4 79.9 9 10 A G E -A 43 0A 2 34,-2.5 34,-2.6 -2,-0.6 2,-0.3 -0.900 12.2-170.4-125.0 154.5 -1.1 7.2 77.9 10 11 A K E +A 42 0A 55 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.997 8.0 174.6-144.6 134.5 -1.5 8.6 74.4 11 12 A A E -A 41 0A 0 30,-2.0 30,-2.7 -2,-0.3 2,-0.2 -0.995 34.9-102.8-143.8 149.3 0.6 11.2 72.5 12 13 A D E +A 40 0A 1 -2,-0.3 28,-0.2 28,-0.2 119,-0.1 -0.470 35.6 165.6 -70.5 132.5 0.8 12.6 69.0 13 14 A I + 0 0 0 26,-2.7 27,-0.2 -2,-0.2 2,-0.2 0.079 22.7 145.9-133.0 19.8 3.5 11.3 66.7 14 15 A T - 0 0 1 25,-0.6 3,-0.1 110,-0.1 24,-0.1 -0.411 33.7-154.1 -62.9 129.3 2.2 12.6 63.4 15 16 A G - 0 0 2 1,-0.2 2,-0.2 -2,-0.2 -1,-0.1 -0.006 44.1 -30.5 -90.4-161.5 5.1 13.5 61.1 16 17 A E - 0 0 12 1,-0.2 -1,-0.2 86,-0.2 4,-0.2 -0.357 51.7-155.3 -59.2 117.1 5.5 15.9 58.2 17 18 A A S S+ 0 0 2 -2,-0.2 17,-2.0 531,-0.2 2,-0.4 0.571 70.7 42.8 -72.8 -14.3 2.1 16.3 56.5 18 19 A A E S+J 33 0B 0 15,-0.2 15,-0.2 1,-0.1 -1,-0.1 -0.992 109.2 3.2-144.0 138.2 3.5 17.3 53.1 19 20 A E E S+ 0 0 59 13,-2.8 2,-0.4 -2,-0.4 -1,-0.1 0.818 84.4 112.1 67.5 39.5 6.3 16.4 50.8 20 21 A V E S- 0 0 0 -4,-0.2 12,-1.8 12,-0.2 -1,-0.2 -0.973 73.0-103.6-139.5 126.0 8.0 13.4 52.4 21 22 A G E -J 31 0B 1 -2,-0.4 81,-2.9 93,-0.3 10,-0.3 -0.075 39.4-115.8 -44.4 138.8 7.8 9.9 51.0 22 23 A M E -K 101 0C 0 8,-2.9 2,-0.5 5,-0.4 5,-0.4 -0.551 25.7-117.6 -83.2 148.3 5.4 7.6 52.8 23 24 A M E S+K 100 0C 10 77,-3.0 77,-0.6 -2,-0.2 -1,-0.1 -0.741 86.0 31.3 -90.8 124.3 6.7 4.6 54.7 24 25 A G S S+ 0 0 18 -2,-0.5 -1,-0.2 86,-0.2 313,-0.1 -0.305 105.4 59.7 134.3 -53.0 5.6 1.1 53.6 25 26 A Y S S- 0 0 7 73,-0.4 3,-0.1 -3,-0.1 -2,-0.1 0.444 87.2-136.4 -89.4 -1.7 5.1 1.1 49.9 26 27 A S + 0 0 26 -4,-0.3 2,-0.6 1,-0.2 -3,-0.1 0.825 47.8 159.9 49.8 32.4 8.6 2.1 48.9 27 28 A S - 0 0 11 -5,-0.4 -5,-0.4 1,-0.2 3,-0.3 -0.794 38.6-158.9 -94.4 121.2 7.0 4.5 46.4 28 29 A L S S+ 0 0 25 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.879 96.2 44.8 -59.6 -38.4 9.1 7.4 45.2 29 30 A E S S+ 0 0 136 1,-0.1 2,-1.9 -3,-0.1 -1,-0.2 0.659 85.7 94.4 -83.5 -18.5 6.0 9.2 44.2 30 31 A Q + 0 0 1 -3,-0.3 -8,-2.9 -8,-0.1 2,-0.3 -0.490 53.7 159.9 -79.6 80.5 3.8 8.6 47.3 31 32 A K E -J 21 0B 58 -2,-1.9 -10,-0.2 -10,-0.3 -14,-0.0 -0.754 47.7 -94.6-101.6 148.8 4.5 11.8 49.3 32 33 A T E + 0 0 3 -12,-1.8 -13,-2.8 -2,-0.3 181,-0.2 -0.300 41.1 171.0 -60.4 140.2 2.3 13.1 52.1 33 34 A A E -J 18 0B 20 179,-3.0 554,-2.8 1,-0.3 2,-0.3 -0.031 61.2 -37.9-139.8 29.1 -0.1 15.7 51.0 34 35 A G E -L 586 0D 0 -17,-2.0 180,-2.4 178,-0.4 2,-0.4 -0.943 66.4 -76.6 146.5-167.9 -2.3 16.1 54.1 35 36 A I E +Lm 585 214D 1 550,-2.7 550,-2.8 -2,-0.3 180,-0.1 -0.997 23.7 171.8-138.1 134.1 -3.9 14.4 57.0 36 37 A H S S- 0 0 1 178,-2.5 2,-0.3 1,-0.6 547,-0.3 0.801 85.7 -11.8 -98.3 -54.8 -7.0 12.2 57.3 37 38 A M S S- 0 0 2 177,-1.4 -1,-0.6 545,-0.1 542,-0.2 -0.974 80.9-106.5-141.9 152.0 -6.4 11.2 60.9 38 39 A R - 0 0 2 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.0 -0.215 26.6-113.5 -79.1 168.5 -3.3 11.6 63.1 39 40 A Q - 0 0 3 176,-0.1 -26,-2.7 -24,-0.1 -25,-0.6 -0.864 35.8-165.5-102.5 136.6 -0.7 9.0 64.2 40 41 A W E -A 12 0A 32 -2,-0.4 21,-1.9 -28,-0.2 2,-0.5 -0.919 23.1-140.7-128.6 151.1 -0.6 8.1 67.9 41 42 A A E -AC 11 60A 0 -30,-2.7 -30,-2.0 -2,-0.3 2,-0.6 -0.919 22.4-162.5-102.4 126.5 1.7 6.4 70.4 42 43 A R E -AC 10 59A 5 17,-2.6 17,-2.5 -2,-0.5 2,-0.4 -0.955 8.2-164.2-116.7 112.2 -0.4 4.4 72.9 43 44 A A E -AC 9 58A 0 -34,-2.6 -34,-2.5 -2,-0.6 2,-0.5 -0.785 11.4-168.3-102.7 140.5 1.5 3.5 76.0 44 45 A F E -AC 8 57A 0 13,-2.9 13,-2.1 -2,-0.4 2,-0.5 -0.946 5.3-167.3-128.3 107.7 0.6 0.9 78.6 45 46 A V E -AC 7 56A 0 -38,-2.7 -38,-2.1 -2,-0.5 2,-0.5 -0.838 6.6-166.7 -96.3 128.2 2.5 0.9 81.8 46 47 A I E -AC 6 55A 6 9,-3.1 9,-2.1 -2,-0.5 2,-0.4 -0.968 2.7-169.9-120.5 123.7 2.0 -2.1 84.0 47 48 A E E -AC 5 54A 21 -42,-3.5 -42,-1.9 -2,-0.5 2,-0.7 -0.878 16.6-132.2-112.1 146.5 3.1 -2.3 87.6 48 49 A E E >>> -AC 4 53A 33 5,-1.8 4,-1.5 -2,-0.4 3,-1.1 -0.839 23.3-115.1-110.4 108.1 3.2 -5.3 89.8 49 50 A A T 345S+ 0 0 63 -46,-1.9 3,-0.2 -2,-0.7 -1,-0.1 0.326 98.6 23.0 18.1-106.4 1.8 -5.4 93.4 50 51 A A T 345S+ 0 0 103 1,-0.2 -1,-0.2 -47,-0.1 -2,-0.0 0.836 131.4 35.7 -51.1 -43.9 4.4 -5.9 96.1 51 52 A S T <45S- 0 0 74 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.597 84.9-130.9 -96.6 -18.7 7.4 -4.7 94.1 52 53 A G T <5 + 0 0 38 -4,-1.5 2,-0.2 1,-0.2 -3,-0.1 0.783 44.3 168.3 69.2 19.9 6.6 -1.8 91.7 53 54 A R E < -C 48 0A 116 -5,-0.7 -5,-1.8 241,-0.0 2,-0.4 -0.538 23.4-149.9 -64.2 132.5 8.4 -3.9 89.0 54 55 A R E -C 47 0A 54 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.907 23.2-175.7-121.4 143.9 7.4 -1.9 85.9 55 56 A L E -C 46 0A 6 -9,-2.1 -9,-3.1 -2,-0.4 2,-0.4 -0.979 8.9-159.5-129.2 142.6 6.8 -2.9 82.3 56 57 A V E -Cd 45 90A 0 33,-2.3 35,-2.9 -2,-0.4 2,-0.4 -0.988 8.6-179.1-128.5 126.6 6.0 -0.5 79.4 57 58 A Y E -Cd 44 91A 8 -13,-2.1 -13,-2.9 -2,-0.4 2,-0.5 -0.989 5.4-174.4-123.4 128.7 4.4 -1.5 76.1 58 59 A V E -Cd 43 92A 0 33,-2.9 35,-3.4 -2,-0.4 2,-0.5 -0.977 8.0-164.7-128.5 122.6 3.8 1.1 73.4 59 60 A N E -Cd 42 93A 2 -17,-2.5 -17,-2.6 -2,-0.5 2,-0.4 -0.910 15.5-159.3-105.5 130.1 2.0 0.5 70.2 60 61 A T E -Cd 41 94A 0 33,-2.7 2,-2.3 -2,-0.5 35,-2.3 -0.864 27.2-125.7-115.3 143.9 2.5 3.2 67.5 61 62 A D S S+ 0 0 2 -21,-1.9 2,-0.3 -2,-0.4 33,-0.1 -0.489 76.3 113.3 -80.3 68.3 0.5 4.1 64.4 62 63 A L S S- 0 0 1 -2,-2.3 34,-2.0 154,-0.1 35,-1.2 -0.875 83.5-110.6-136.0 168.1 3.6 3.7 62.3 63 64 A G S S- 0 0 3 33,-0.3 2,-0.3 1,-0.3 31,-0.1 0.806 95.0 -43.4 -69.4 -27.4 4.9 1.4 59.5 64 65 A M - 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