==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-OCT-12 4HME . COMPND 2 MOLECULE: CHITINASE 60; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO MARINUS; . AUTHOR P.H.MALECKI,C.E.VORGIAS,J.E.RACZYNSKA,W.RYPNIEWSKI . 528 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 13.6 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 . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 44 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 0 0 1 0 0 0 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 0 4 3 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 3 3 3 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 3 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 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 23 A G 0 0 63 0, 0.0 2,-0.1 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 -44.7 -5.1 24.1 1.8 2 24 A T - 0 0 110 1,-0.1 2,-0.5 78,-0.1 122,-0.0 -0.407 360.0 -61.0-102.1 178.7 -6.0 20.7 3.4 3 25 A I - 0 0 30 -2,-0.1 2,-0.6 1,-0.1 158,-0.2 -0.443 51.0-169.3 -74.8 115.4 -5.3 19.3 6.8 4 26 A T + 0 0 24 -2,-0.5 2,-0.3 83,-0.1 85,-0.2 -0.918 8.9 179.9-108.6 108.6 -1.6 19.1 7.2 5 27 A S - 0 0 43 -2,-0.6 2,-0.5 83,-0.1 157,-0.1 -0.719 23.5-123.2-113.0 158.0 -0.6 17.1 10.3 6 28 A Q + 0 0 22 -2,-0.3 4,-0.1 1,-0.1 81,-0.1 -0.872 26.9 171.4-103.6 131.2 2.9 16.3 11.6 7 29 A D + 0 0 132 -2,-0.5 2,-0.1 2,-0.1 -1,-0.1 0.427 64.7 61.5-116.1 2.2 4.2 12.8 12.2 8 30 A D S S- 0 0 66 1,-0.2 312,-0.1 313,-0.1 309,-0.1 -0.339 105.5 -50.2-103.8-165.6 7.8 13.5 12.9 9 31 A N - 0 0 5 310,-0.2 2,-0.3 308,-0.1 -1,-0.2 -0.296 62.0-145.2 -63.2 149.8 9.4 15.6 15.7 10 32 A V E -a 285 0A 0 274,-2.2 276,-1.6 -3,-0.1 2,-0.4 -0.914 25.0-164.0-125.3 147.8 8.0 19.0 16.3 11 33 A V E -a 286 0A 0 -2,-0.3 32,-1.3 274,-0.2 31,-0.5 -0.966 28.1-161.3-122.9 107.8 9.1 22.4 17.2 12 34 A V E -ab 287 43A 0 274,-2.5 276,-1.7 -2,-0.4 2,-0.4 -0.746 10.2-176.2 -96.8 141.6 5.9 24.2 18.1 13 35 A G E -ab 288 44A 0 30,-2.2 32,-2.5 -2,-0.3 2,-0.3 -0.996 19.8-133.9-140.1 130.4 5.7 28.1 18.2 14 36 A Y E - b 0 45A 1 274,-1.9 277,-2.3 -2,-0.4 278,-0.7 -0.609 15.7-148.7 -84.3 144.6 2.8 30.3 19.3 15 37 A W E - b 0 46A 0 30,-3.0 32,-2.6 -2,-0.3 2,-0.5 -0.964 15.9-125.7-118.2 127.3 1.9 33.2 17.1 16 38 A H E - b 0 47A 2 -2,-0.5 2,-1.3 14,-0.2 16,-0.3 -0.580 5.0-153.6 -79.1 125.4 0.4 36.4 18.6 17 39 A N S S+ 0 0 9 30,-2.5 2,-0.3 -2,-0.5 -1,-0.1 -0.215 79.5 54.7 -81.1 47.9 -2.9 37.6 17.3 18 40 A W S S- 0 0 83 -2,-1.3 2,-0.3 14,-0.1 3,-0.2 -0.965 81.0-109.5-168.8 169.0 -1.9 41.1 18.5 19 41 A a S S+ 0 0 32 -2,-0.3 -2,-0.0 1,-0.2 49,-0.0 -0.808 78.4 6.6-113.0 147.8 0.9 43.7 18.2 20 42 A D - 0 0 102 9,-0.4 -1,-0.2 -2,-0.3 2,-0.1 0.891 67.5-168.4 58.3 55.2 3.6 45.0 20.6 21 43 A G E -K 29 0B 13 8,-2.3 8,-2.4 -3,-0.2 2,-0.3 -0.453 22.5-118.3 -72.9 144.3 3.2 42.8 23.6 22 44 A R E -K 28 0B 175 6,-0.2 6,-0.2 -2,-0.1 2,-0.1 -0.656 28.2-131.0 -83.8 137.3 5.1 44.0 26.7 23 45 A G > - 0 0 4 4,-2.6 3,-1.7 -2,-0.3 234,-0.2 -0.460 19.2-114.9 -87.1 158.1 7.8 41.6 28.1 24 46 A Y T 3 S+ 0 0 99 232,-2.0 232,-0.2 1,-0.3 -1,-0.1 0.641 123.2 40.2 -60.2 -19.3 8.3 40.4 31.7 25 47 A Q T 3 S- 0 0 111 231,-0.1 274,-0.4 0, 0.0 -1,-0.3 -0.036 131.8 -89.8-121.0 30.7 11.6 42.4 31.5 26 48 A G S < S+ 0 0 54 -3,-1.7 -2,-0.1 1,-0.2 230,-0.1 0.604 83.9 136.1 76.3 10.5 10.3 45.4 29.6 27 49 A G - 0 0 6 273,-0.1 -4,-2.6 272,-0.1 2,-0.4 -0.156 48.8-121.1 -74.9-174.7 10.9 44.0 26.1 28 50 A N E -KL 22 297B 51 269,-2.4 269,-2.2 -6,-0.2 -6,-0.2 -0.997 10.4-157.6-138.2 129.2 8.5 44.2 23.1 29 51 A A E -K 21 0B 0 -8,-2.4 -8,-2.3 -2,-0.4 -9,-0.4 -0.912 20.5-156.1-107.9 103.5 6.9 41.4 21.0 30 52 A P - 0 0 37 0, 0.0 -14,-0.2 0, 0.0 2,-0.2 -0.415 23.5-106.5 -69.3 151.4 5.9 42.8 17.6 31 53 A a - 0 0 33 36,-0.1 2,-0.3 -2,-0.1 -12,-0.1 -0.535 43.3-165.9 -65.8 153.6 3.2 41.2 15.5 32 54 A V - 0 0 18 -16,-0.3 2,-0.2 -2,-0.2 -14,-0.1 -0.972 24.7-101.1-140.8 150.8 4.7 39.4 12.6 33 55 A E > - 0 0 71 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.455 31.4-124.9 -67.8 141.7 3.4 38.0 9.3 34 56 A L G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.894 109.1 61.9 -57.6 -36.8 2.9 34.2 9.4 35 57 A K G 3 S+ 0 0 119 1,-0.3 -1,-0.3 4,-0.0 -2,-0.0 0.621 94.9 59.8 -68.2 -14.4 5.1 33.9 6.4 36 58 A T G < S+ 0 0 65 -3,-1.8 -1,-0.3 2,-0.1 2,-0.2 0.457 77.5 118.2 -92.7 1.8 8.1 35.4 8.2 37 59 A V S < S- 0 0 3 -3,-1.8 255,-0.0 -4,-0.3 -22,-0.0 -0.467 80.8 -98.5 -68.6 132.2 8.1 32.6 10.8 38 60 A N > - 0 0 30 -2,-0.2 3,-2.1 1,-0.2 -1,-0.1 -0.211 28.9-127.6 -50.4 128.3 11.3 30.5 10.7 39 61 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.715 102.4 72.1 -50.9 -28.3 10.7 27.4 8.7 40 62 A Q T 3 S+ 0 0 73 1,-0.1 2,-1.3 2,-0.1 -29,-0.2 0.644 75.8 86.5 -73.8 -8.3 11.9 25.1 11.5 41 63 A Y < + 0 0 2 -3,-2.1 -29,-0.2 1,-0.2 -1,-0.1 -0.774 57.8 175.3 -81.4 91.4 8.8 25.9 13.5 42 64 A N + 0 0 17 -2,-1.3 46,-2.9 -31,-0.5 2,-0.4 0.503 67.2 48.1 -84.2 -3.7 6.8 23.1 11.9 43 65 A V E -bc 12 88A 0 -32,-1.3 -30,-2.2 44,-0.2 2,-0.5 -0.993 68.6-176.2-128.8 122.0 3.7 23.8 14.1 44 66 A V E -bc 13 89A 0 44,-2.2 46,-1.8 -2,-0.4 2,-0.6 -0.987 12.6-151.3-121.1 123.3 2.6 27.3 14.5 45 67 A N E -bc 14 90A 0 -32,-2.5 -30,-3.0 -2,-0.5 2,-0.5 -0.839 9.7-139.3-105.9 116.9 -0.3 28.0 16.9 46 68 A I E -bc 15 91A 0 44,-3.6 46,-2.9 -2,-0.6 2,-0.6 -0.544 32.6-119.6 -73.5 119.9 -2.6 31.0 16.2 47 69 A S E +bc 16 92A 0 -32,-2.6 -30,-2.5 -2,-0.5 46,-0.1 -0.887 68.7 15.6-112.2 112.4 -3.3 32.6 19.6 48 70 A F E + 0 0 23 44,-0.7 2,-0.5 -2,-0.6 15,-0.3 0.547 32.2 173.0-151.3 155.1 -6.2 32.8 20.5 49 71 A M E + c 0 93A 0 43,-3.4 45,-2.7 -3,-0.3 2,-0.3 -0.766 48.1 130.3 -85.2 130.1 -9.7 31.5 19.9 50 72 A K B -N 61 0C 81 11,-2.6 11,-3.6 -2,-0.5 2,-0.7 -0.878 67.4 -66.7-161.9-174.0 -11.8 32.9 22.8 51 73 A V + 0 0 27 9,-0.3 48,-0.3 -2,-0.3 3,-0.2 -0.854 46.2 178.0 -92.6 116.6 -15.0 34.8 23.5 52 74 A Y S S+ 0 0 72 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.763 71.1 15.3 -89.6 -30.7 -14.5 38.2 22.0 53 75 A D > - 0 0 73 4,-0.2 3,-2.5 1,-0.1 -1,-0.3 -0.907 60.0-151.0-152.4 107.9 -17.8 39.7 22.8 54 76 A I G > S+ 0 0 125 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.668 95.8 74.6 -64.2 -11.0 -20.2 38.2 25.3 55 77 A A G 3 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.798 92.6 55.2 -60.1 -30.7 -23.0 39.8 23.1 56 78 A E G < S- 0 0 101 -3,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.497 117.6-117.9 -81.1 -4.2 -22.3 37.0 20.7 57 79 A G < - 0 0 29 -3,-1.0 -1,-0.3 -4,-0.3 -4,-0.2 -0.462 40.6 -46.8 100.0-166.9 -22.8 34.4 23.4 58 80 A R S S+ 0 0 119 -2,-0.1 43,-0.4 -3,-0.1 -1,-0.2 0.563 97.4 97.3 -84.9 -16.6 -20.8 31.7 25.2 59 81 A I S S- 0 0 43 -3,-0.3 -9,-0.1 41,-0.1 48,-0.0 -0.648 71.3-129.8 -85.0 123.5 -19.1 30.0 22.2 60 82 A P + 0 0 1 0, 0.0 -9,-0.3 0, 0.0 2,-0.3 -0.249 31.1 173.5 -70.2 163.7 -15.6 31.1 21.5 61 83 A T B -N 50 0C 10 -11,-3.6 -11,-2.6 -13,-0.1 2,-0.4 -0.816 29.0-104.3-148.7-172.6 -14.4 32.2 18.2 62 84 A F + 0 0 5 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.1 -0.968 25.8 177.8-130.0 125.1 -11.5 33.7 16.3 63 85 A K - 0 0 89 -2,-0.4 2,-0.0 -15,-0.3 -2,-0.0 -0.977 30.1-125.9-123.7 118.0 -11.3 37.2 15.0 64 86 A L - 0 0 12 -2,-0.4 8,-0.1 1,-0.1 -46,-0.0 -0.327 25.2-118.6 -59.9 129.0 -8.0 38.4 13.2 65 87 A D > - 0 0 40 1,-0.2 3,-2.0 2,-0.1 5,-0.4 -0.639 22.7-155.2 -69.0 110.9 -6.5 41.5 14.7 66 88 A P G > S+ 0 0 101 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.675 85.3 72.9 -60.4 -17.2 -6.7 43.9 11.8 67 89 A T G 3 S+ 0 0 97 1,-0.3 -36,-0.1 2,-0.1 -2,-0.1 0.601 79.3 74.2 -81.0 -7.8 -3.9 46.0 13.1 68 90 A I G < S- 0 0 11 -3,-2.0 -1,-0.3 2,-0.2 3,-0.1 0.636 107.4-129.8 -68.6 -13.9 -1.5 43.2 12.1 69 91 A A < + 0 0 88 -3,-1.7 2,-0.5 1,-0.3 -2,-0.1 0.741 65.9 127.4 68.8 25.3 -2.3 44.6 8.6 70 92 A L - 0 0 12 -5,-0.4 -1,-0.3 -4,-0.0 -2,-0.2 -0.972 54.4-137.7-102.9 129.7 -3.2 41.2 7.0 71 93 A S > - 0 0 71 -2,-0.5 4,-2.0 -3,-0.1 5,-0.2 -0.283 30.7-104.4 -67.6 163.8 -6.5 41.1 5.3 72 94 A E H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.953 124.2 50.6 -53.2 -46.2 -8.6 37.9 5.9 73 95 A A H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 109.0 49.2 -65.2 -41.1 -7.7 36.8 2.4 74 96 A E H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.835 109.2 52.4 -67.4 -33.3 -3.9 37.3 2.9 75 97 A F H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.964 110.0 48.2 -71.9 -44.8 -3.9 35.5 6.2 76 98 A I H X S+ 0 0 54 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.906 110.3 53.7 -54.7 -43.5 -5.6 32.5 4.6 77 99 A A H X S+ 0 0 38 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.897 108.3 48.2 -60.7 -37.9 -3.0 32.8 1.8 78 100 A Q H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 110.2 50.9 -76.4 -30.4 -0.1 32.7 4.4 79 101 A I H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.928 107.9 55.8 -65.4 -44.5 -1.6 29.6 6.1 80 102 A D H X S+ 0 0 78 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.895 106.7 49.0 -54.0 -41.3 -1.8 28.1 2.7 81 103 A T H X S+ 0 0 57 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.902 109.1 50.7 -66.9 -42.6 1.9 28.6 2.1 82 104 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-0.5 0.962 112.6 48.7 -61.3 -44.5 2.9 27.1 5.4 83 105 A N H ><5S+ 0 0 10 -4,-2.9 3,-2.7 1,-0.3 -2,-0.2 0.922 105.9 55.0 -58.6 -45.4 0.7 24.2 4.5 84 106 A S H 3<5S+ 0 0 92 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.812 105.2 55.4 -61.1 -24.1 2.3 23.9 1.1 85 107 A Q T <<5S- 0 0 105 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.377 124.1-106.6 -87.6 7.7 5.6 23.7 3.0 86 108 A G T < 5S+ 0 0 42 -3,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.641 78.4 133.7 80.6 17.2 4.3 20.7 5.0 87 109 A R < - 0 0 12 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.736 50.8-128.3-103.7 149.3 3.9 22.8 8.2 88 110 A S E -c 43 0A 0 -46,-2.9 -44,-2.2 -2,-0.3 2,-0.5 -0.753 11.6-159.5-101.4 143.5 0.9 22.8 10.4 89 111 A V E -c 44 0A 0 -2,-0.3 35,-3.3 33,-0.2 36,-0.5 -0.964 15.4-172.3-124.1 116.3 -1.2 25.8 11.7 90 112 A L E -cd 45 125A 0 -46,-1.8 -44,-3.6 -2,-0.5 2,-0.5 -0.688 23.6-128.9-103.3 152.5 -3.3 25.2 14.8 91 113 A I E -cd 46 126A 1 34,-2.5 36,-2.1 -2,-0.3 2,-0.6 -0.914 26.1-143.4 -97.3 127.3 -5.9 27.5 16.4 92 114 A A E -cd 47 127A 0 -46,-2.9 -43,-3.4 -2,-0.5 -44,-0.7 -0.844 9.7-147.0 -99.3 124.2 -5.1 27.8 20.1 93 115 A L E +cd 49 128A 2 34,-3.4 36,-2.7 -2,-0.6 2,-0.6 -0.779 61.9 0.6 -92.6 123.3 -8.1 28.0 22.4 94 116 A G E - d 0 129A 1 -45,-2.7 36,-0.2 -2,-0.5 5,-0.1 -0.914 63.2-167.6 116.2-116.2 -7.9 30.0 25.5 95 117 A G > - 0 0 0 34,-3.0 3,-2.1 -2,-0.6 36,-0.4 -0.030 49.5 -46.7 101.8 149.9 -4.9 32.0 26.6 96 118 A A T 3 S+ 0 0 63 1,-0.3 3,-0.1 34,-0.1 -2,-0.0 -0.263 130.7 8.0 -43.8 130.2 -3.9 33.8 29.8 97 119 A D T 3 S+ 0 0 128 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.673 90.6 141.5 53.8 29.6 -7.1 35.8 31.0 98 120 A A < - 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