==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSYL HYDROLASE 10-OCT-03 1UPS . COMPND 2 MOLECULE: GLCNAC-ALPHA-1,4-GAL-RELEASING ENDO-BETA- . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR W.TEMPEL,Z.-J.LIU,P.S.HORANYI,L.DENG,D.LEE,M.G.NEWTON, . 799 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 290 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 12 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 57 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 26 2 8 3 6 13 4 2 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 2 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 17 A A 0 0 150 0, 0.0 196,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.5 153.6 100.0 10.0 2 18 A K + 0 0 165 194,-0.1 191,-0.2 2,-0.1 2,-0.1 0.472 360.0 107.1 -97.1 -3.3 155.8 103.1 9.5 3 19 A D S S- 0 0 65 194,-0.1 196,-0.2 193,-0.1 117,-0.0 -0.474 80.1-113.5 -65.2 145.2 155.7 104.3 13.1 4 20 A F - 0 0 61 194,-2.9 3,-0.1 -2,-0.1 -2,-0.1 -0.705 43.8-102.9 -76.7 132.2 158.9 103.7 15.0 5 21 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 195,-0.1 -0.250 37.0-102.0 -60.3 140.8 158.1 101.1 17.7 6 22 A A - 0 0 50 1,-0.1 3,-0.1 112,-0.0 194,-0.0 -0.323 37.7-118.9 -55.9 137.5 157.6 102.3 21.3 7 23 A N - 0 0 28 1,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.356 37.0 -92.1 -68.3 158.6 160.7 101.7 23.6 8 24 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.385 26.0-124.8 -69.6 154.6 160.3 99.4 26.6 9 25 A I S S+ 0 0 87 -3,-0.1 2,-0.5 -2,-0.1 -2,-0.0 0.879 98.0 66.0 -68.1 -37.3 159.3 101.0 30.0 10 26 A E S S- 0 0 80 5,-0.1 2,-0.5 6,-0.0 5,-0.1 -0.754 72.2-161.9 -89.9 129.8 162.4 99.5 31.6 11 27 A K > - 0 0 61 -2,-0.5 3,-2.2 3,-0.2 -2,-0.0 -0.960 26.0-112.2-115.3 120.4 165.8 100.8 30.3 12 28 A A T 3 S+ 0 0 100 -2,-0.5 3,-0.1 1,-0.3 -2,-0.0 -0.272 102.2 14.0 -55.0 128.0 168.9 98.7 31.0 13 29 A G T 3 S+ 0 0 48 1,-0.3 251,-2.7 250,-0.1 252,-0.4 0.412 117.8 84.5 87.1 1.6 171.3 100.5 33.4 14 30 A Y E < -A 263 0A 53 -3,-2.2 2,-0.4 249,-0.3 -1,-0.3 -0.863 66.2-136.7-132.4 162.7 168.6 103.0 34.5 15 31 A K E -A 262 0A 52 247,-2.7 247,-2.6 -2,-0.3 2,-0.4 -0.976 31.7-114.5-119.2 134.4 165.6 103.4 36.9 16 32 A L E +A 261 0A 70 -2,-0.4 245,-0.3 245,-0.2 3,-0.1 -0.551 37.0 171.8 -70.8 124.3 162.3 104.9 35.7 17 33 A D E + 0 0 81 243,-3.1 2,-0.3 1,-0.4 244,-0.2 0.695 63.7 8.2-104.8 -28.4 161.8 108.2 37.7 18 34 A F E +A 260 0A 17 242,-1.6 242,-2.8 90,-0.0 -1,-0.4 -0.977 62.7 169.1-153.9 139.3 158.8 109.6 35.9 19 35 A S E -A 259 0A 31 -2,-0.3 2,-0.4 240,-0.2 240,-0.2 -0.977 17.1-176.5-152.1 147.9 156.2 108.5 33.3 20 36 A D E -A 258 0A 18 238,-2.5 238,-2.1 -2,-0.3 -2,-0.0 -0.926 4.7-171.9-134.0 116.2 153.0 109.5 31.8 21 37 A E - 0 0 45 -2,-0.4 238,-0.1 236,-0.2 -1,-0.0 0.437 30.5-141.9 -85.3 0.8 151.6 107.0 29.3 22 38 A F + 0 0 2 1,-0.1 233,-0.1 236,-0.1 5,-0.1 0.813 48.9 146.1 48.2 43.6 148.9 109.5 28.4 23 39 A N + 0 0 110 1,-0.1 33,-0.4 3,-0.1 34,-0.2 0.752 39.4 153.5 -83.8 -17.9 146.1 107.0 28.0 24 40 A G + 0 0 35 2,-0.3 -1,-0.1 32,-0.1 34,-0.0 -0.164 64.7 175.5 71.8-169.5 143.4 109.4 29.2 25 41 A P S S+ 0 0 119 0, 0.0 2,-0.4 0, 0.0 28,-0.1 -0.993 96.5 30.8 -88.6 4.1 140.6 110.2 29.3 26 42 A T S S- 0 0 111 26,-0.1 -2,-0.3 0, 0.0 2,-0.2 -0.935 82.6-109.8-121.8 148.9 141.7 112.7 31.9 27 43 A L - 0 0 7 -2,-0.4 2,-0.9 1,-0.1 7,-0.1 -0.484 37.5-114.9 -68.8 135.3 144.9 114.6 32.5 28 44 A D >> - 0 0 64 -2,-0.2 4,-2.2 1,-0.2 3,-1.8 -0.631 27.2-165.3 -76.5 105.8 146.8 113.4 35.6 29 45 A R T 34 S+ 0 0 127 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.0 0.506 83.4 67.4 -79.3 -1.9 146.6 116.5 37.9 30 46 A E T 34 S+ 0 0 154 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.615 116.3 27.5 -81.7 -13.6 149.2 115.1 40.2 31 47 A K T <4 S+ 0 0 55 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.715 123.4 32.5-113.8 -34.3 151.7 115.5 37.3 32 48 A W < - 0 0 2 -4,-2.2 2,-0.4 75,-0.1 -1,-0.2 -0.939 50.1-151.8-132.8 147.9 150.4 118.3 35.1 33 49 A T B -H 83 0B 18 50,-2.7 50,-2.4 -2,-0.3 52,-0.1 -0.908 19.8-141.4-107.6 148.5 148.6 121.6 35.1 34 50 A D S S+ 0 0 2 -2,-0.4 15,-2.7 48,-0.2 2,-0.4 -0.148 70.1 95.3-103.6 39.8 146.6 122.5 31.9 35 51 A Y B S-P 48 0C 36 13,-0.2 2,-0.6 48,-0.1 13,-0.2 -0.985 72.1-127.6-126.5 144.3 147.5 126.2 31.9 36 52 A Y S S- 0 0 7 11,-2.1 -2,-0.1 -2,-0.4 197,-0.0 -0.788 77.3 -43.3 -93.1 115.4 150.3 128.0 30.0 37 53 A L S > S- 0 0 0 -2,-0.6 3,-2.0 1,-0.2 4,-0.3 0.789 73.4-178.1 33.0 55.5 152.5 130.1 32.4 38 54 A P G > + 0 0 1 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.684 66.3 75.6 -64.0 -18.9 149.3 131.5 34.1 39 55 A H G 3 S+ 0 0 0 1,-0.2 61,-2.3 48,-0.2 -2,-0.1 0.671 90.3 58.7 -64.1 -18.0 151.3 133.8 36.4 40 56 A W G < S+ 0 0 0 -3,-2.0 2,-0.5 59,-0.2 -1,-0.2 0.654 94.3 77.7 -82.5 -13.2 151.9 136.2 33.5 41 57 A a < - 0 0 3 -3,-1.4 6,-0.1 -4,-0.3 29,-0.0 -0.832 69.4-145.8-113.0 128.7 148.2 136.8 32.8 42 58 A K S S+ 0 0 75 -2,-0.5 -1,-0.2 1,-0.3 28,-0.0 0.950 105.2 31.5 -55.2 -52.1 145.8 139.0 34.8 43 59 A D S > S- 0 0 95 1,-0.1 3,-1.3 -3,-0.1 -1,-0.3 -0.900 77.2-167.3-103.3 106.3 143.0 136.5 34.1 44 60 A P G > S+ 0 0 32 0, 0.0 3,-1.5 0, 0.0 -8,-0.2 0.606 73.9 82.6 -70.2 -12.3 144.7 133.1 33.9 45 61 A E G > S+ 0 0 103 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 0.806 82.9 64.2 -63.3 -27.3 141.6 131.4 32.4 46 62 A S G < S+ 0 0 42 -3,-1.3 -1,-0.3 1,-0.2 24,-0.1 0.770 96.4 59.5 -59.2 -26.3 142.7 132.7 29.0 47 63 A A G < S+ 0 0 0 -3,-1.5 -11,-2.1 -4,-0.2 34,-0.4 0.370 76.8 124.8 -90.8 3.1 145.8 130.5 29.3 48 64 A K B < -P 35 0C 76 -3,-1.4 -13,-0.2 -13,-0.2 2,-0.1 -0.418 57.1-126.1 -67.9 139.5 143.8 127.2 29.7 49 65 A A - 0 0 4 -15,-2.7 2,-0.4 32,-0.4 31,-0.1 -0.452 7.2-140.9 -81.9 151.3 144.7 124.4 27.2 50 66 A N E +B 61 0A 61 11,-0.5 11,-2.0 -2,-0.1 2,-0.3 -0.941 41.1 138.7-105.5 139.2 142.4 122.5 24.9 51 67 A Y E -B 60 0A 48 -2,-0.4 2,-0.3 9,-0.3 9,-0.2 -0.975 28.4-166.7-166.9 162.7 143.2 118.8 24.5 52 68 A R E -B 59 0A 79 7,-1.9 7,-3.3 -2,-0.3 2,-0.5 -0.890 28.0-114.3-144.0 174.3 141.7 115.3 24.3 53 69 A F E +B 58 0A 36 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.983 37.2 173.1-115.3 131.0 143.1 111.8 24.5 54 70 A E E > -B 57 0A 101 3,-2.2 3,-1.4 -2,-0.5 -30,-0.1 -0.985 61.3 -13.0-143.5 124.3 142.9 109.7 21.4 55 71 A N T 3 S- 0 0 146 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.882 129.5 -47.3 55.9 46.2 144.3 106.2 20.6 56 72 A G T 3 S+ 0 0 23 -33,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.587 118.7 104.9 72.6 14.2 146.6 106.2 23.7 57 73 A S E < S-B 54 0A 1 -3,-1.4 -3,-2.2 -34,-0.2 2,-0.6 -0.912 73.6-118.5-125.3 148.6 148.0 109.7 23.1 58 74 A L E -BC 53 255A 0 197,-2.7 197,-2.8 -2,-0.3 2,-0.6 -0.773 30.5-162.3 -74.4 126.0 147.6 113.2 24.5 59 75 A V E -BC 52 254A 8 -7,-3.3 -7,-1.9 -2,-0.6 2,-0.3 -0.876 4.1-168.5-114.5 95.0 146.3 115.3 21.7 60 76 A E E +BC 51 253A 0 193,-0.7 193,-1.4 -2,-0.6 2,-0.3 -0.671 18.1 178.7 -75.8 137.6 146.8 119.0 22.4 61 77 A Y E -BC 50 252A 54 -11,-2.0 -11,-0.5 -2,-0.3 2,-0.5 -0.981 30.5-146.1-145.1 154.2 144.9 121.2 20.0 62 78 A I E - C 0 251A 0 189,-2.1 189,-2.0 -2,-0.3 2,-0.2 -0.988 24.6-143.8-115.4 125.5 144.1 124.8 19.1 63 79 A T > - 0 0 35 -2,-0.5 3,-1.7 187,-0.2 -13,-0.0 -0.500 24.5-112.1 -84.9 161.5 140.6 125.5 17.6 64 80 A E T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.2 184,-0.0 0.791 120.3 43.0 -59.6 -31.5 139.9 128.0 14.9 65 81 A D T 3 S+ 0 0 126 2,-0.0 -1,-0.3 433,-0.0 434,-0.1 0.253 83.9 130.2-100.2 11.0 137.9 130.1 17.5 66 82 A Q < - 0 0 19 -3,-1.7 3,-0.1 1,-0.1 -4,-0.0 -0.376 54.5-128.6 -64.1 141.2 140.5 129.7 20.3 67 83 A K - 0 0 155 1,-0.1 12,-0.3 -21,-0.1 430,-0.1 -0.556 34.0 -81.5 -89.0 159.4 141.4 133.0 22.0 68 84 A P - 0 0 3 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.278 37.6-129.6 -55.3 146.3 145.0 134.3 22.6 69 85 A W S S- 0 0 1 8,-1.7 9,-0.1 1,-0.2 -21,-0.1 0.815 93.3 -2.1 -72.4 -29.4 146.5 132.7 25.7 70 86 A a >> - 0 0 1 7,-0.5 4,-3.0 5,-0.4 3,-1.7 -0.457 67.8-179.5-162.0 71.6 147.7 136.0 27.3 71 87 A P H 3> S+ 0 0 40 0, 0.0 4,-1.1 0, 0.0 -2,-0.1 0.746 78.7 60.6 -58.6 -29.0 147.0 139.0 25.0 72 88 A E H 34 S+ 0 0 70 1,-0.2 512,-0.1 2,-0.1 4,-0.1 0.744 122.7 19.5 -74.1 -21.8 148.5 141.6 27.4 73 89 A H H <4 S+ 0 0 14 -3,-1.7 511,-0.3 2,-0.2 -1,-0.2 0.674 135.8 30.7-110.5 -35.5 152.0 140.0 27.2 74 90 A D H >< S- 0 0 30 -4,-3.0 3,-1.4 1,-0.3 -2,-0.1 0.223 89.8-140.6-118.1 16.1 152.1 137.8 24.2 75 91 A G T 3< - 0 0 1 -4,-1.1 -5,-0.4 -5,-0.3 -1,-0.3 -0.280 69.9 -21.1 60.7-139.3 149.7 139.6 21.7 76 92 A T T 3 S+ 0 0 2 163,-0.1 -1,-0.2 -8,-0.1 2,-0.1 0.144 91.5 137.9 -97.1 24.7 147.5 137.4 19.7 77 93 A V < - 0 0 12 -3,-1.4 -8,-1.7 -7,-0.1 -7,-0.5 -0.440 39.9-152.7 -63.6 135.8 149.6 134.2 20.0 78 94 A R E + I 0 238B 2 160,-2.3 160,-1.9 -10,-0.3 2,-0.3 -0.915 21.6 163.9-111.2 142.7 147.5 131.1 20.6 79 95 A S E - I 0 237B 1 -2,-0.4 2,-0.5 -12,-0.3 158,-0.2 -0.976 30.5-152.8-155.5 143.1 148.8 128.1 22.5 80 96 A S E + I 0 236B 0 156,-1.6 156,-1.2 -2,-0.3 2,-0.3 -0.980 37.1 170.4-114.0 118.0 147.4 124.9 24.2 81 97 A A E - I 0 235B 0 -2,-0.5 -32,-0.4 -34,-0.4 2,-0.3 -0.921 30.5-163.5-131.3 148.4 149.9 123.9 26.9 82 98 A I E - I 0 234B 0 152,-2.4 152,-2.4 -2,-0.3 2,-0.3 -0.949 18.3-165.1-118.4 152.0 150.4 121.5 29.9 83 99 A M E -HI 33 233B 0 -50,-2.4 -50,-2.7 -2,-0.3 150,-0.2 -0.985 26.8-138.2-135.4 148.1 153.2 122.1 32.4 84 100 A S S S+ 0 0 0 148,-2.6 24,-2.5 -2,-0.3 23,-1.5 0.146 89.4 29.1 -87.3 19.8 154.8 119.9 35.1 85 101 A F E -Q 106 0D 0 21,-0.3 2,-0.3 147,-0.2 21,-0.2 -0.960 59.2-149.2-162.6 169.5 154.8 122.8 37.6 86 102 A D E +Q 105 0D 18 19,-2.5 19,-2.5 -2,-0.3 2,-0.3 -0.848 37.6 148.8-151.7 112.5 153.0 126.1 38.6 87 103 A K > - 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