==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-DEC-11 4AAX . COMPND 2 MOLECULE: ALPHA-N-ACETYLGLUCOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR E.FICKO-BLEAN,C.P.STUART,M.D.SUITS,M.CID,M.TESSIER,R.J.WOODS . 140 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 63.6 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 . 52 37.1 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 11 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.1 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+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 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 . 1 1 0 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1354 A A 0 0 90 0, 0.0 2,-0.3 0, 0.0 138,-0.1 0.000 360.0 360.0 360.0 134.2 -5.7 17.0 -11.9 2 1355 A S - 0 0 87 138,-1.4 138,-1.9 136,-0.0 2,-0.1 -0.801 360.0 -81.3-121.3 165.2 -6.5 15.7 -15.4 3 1356 A A B -A 139 0A 46 -2,-0.3 136,-0.3 136,-0.2 3,-0.1 -0.434 45.9-119.9 -65.6 132.0 -7.3 12.3 -16.8 4 1357 A L - 0 0 21 134,-3.3 134,-0.3 -2,-0.1 2,-0.2 -0.489 43.2 -87.3 -65.8 144.7 -4.2 10.2 -17.6 5 1358 A P > - 0 0 74 0, 0.0 3,-1.1 0, 0.0 4,-0.2 -0.400 31.9-150.0 -55.5 120.3 -3.9 9.2 -21.4 6 1359 A Q G > S+ 0 0 33 1,-0.2 3,-1.5 -2,-0.2 -2,-0.0 0.802 92.1 65.8 -64.8 -26.3 -5.8 6.0 -21.9 7 1360 A G G 3 S+ 0 0 76 1,-0.3 -1,-0.2 3,-0.0 50,-0.0 0.690 96.2 56.0 -74.7 -15.5 -3.5 4.9 -24.8 8 1361 A N G < S+ 0 0 111 -3,-1.1 -1,-0.3 48,-0.1 2,-0.2 0.407 98.8 84.1 -89.2 -0.4 -0.5 4.6 -22.3 9 1362 A M < - 0 0 18 -3,-1.5 2,-0.4 -4,-0.2 47,-0.2 -0.582 63.9-149.2 -99.1 159.4 -2.5 2.1 -20.2 10 1363 A K E -B 55 0A 117 45,-1.9 45,-2.8 -2,-0.2 2,-0.4 -0.980 12.2-153.9-129.2 125.1 -3.0 -1.5 -20.4 11 1364 A A E +B 54 0A 6 -2,-0.4 2,-0.3 43,-0.2 16,-0.2 -0.805 17.8 168.8 -96.7 133.2 -6.3 -3.1 -19.2 12 1365 A T E -B 53 0A 69 41,-2.1 41,-3.1 -2,-0.4 2,-0.3 -0.921 12.0-164.7-129.1 158.4 -6.5 -6.7 -18.0 13 1366 A A E -B 52 0A 29 -2,-0.3 39,-0.2 39,-0.3 3,-0.1 -0.971 33.1-123.6-144.3 158.4 -9.5 -8.4 -16.2 14 1367 A T S S+ 0 0 82 37,-2.5 2,-0.3 -2,-0.3 38,-0.1 0.829 104.8 10.9 -68.0 -29.0 -10.2 -11.5 -14.2 15 1368 A S S S+ 0 0 4 36,-0.5 2,-0.3 -3,-0.1 -1,-0.2 -0.991 70.7 171.5-148.5 139.1 -13.0 -12.3 -16.7 16 1369 A E - 0 0 82 -2,-0.3 24,-0.2 24,-0.2 9,-0.2 -0.973 30.1-124.5-152.2 139.2 -13.8 -10.8 -20.1 17 1370 A H - 0 0 15 22,-2.6 22,-0.2 7,-0.7 24,-0.1 -0.600 40.8-102.2 -79.2 144.3 -16.2 -11.7 -22.8 18 1371 A P - 0 0 61 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.171 51.3 -77.8 -60.3 161.6 -14.7 -12.2 -26.3 19 1372 A D + 0 0 100 1,-0.2 5,-0.3 5,-0.1 3,-0.0 -0.526 63.6 154.1 -69.0 97.5 -15.0 -9.5 -28.9 20 1373 A V S S- 0 0 84 3,-2.8 -1,-0.2 -2,-1.1 4,-0.2 0.053 75.3 -64.8-108.8 21.9 -18.6 -9.9 -30.2 21 1374 A G S S+ 0 0 45 2,-0.5 -1,-0.1 0, 0.0 3,-0.1 0.743 119.5 3.4 87.6 101.4 -19.0 -6.3 -31.2 22 1375 A N S S+ 0 0 86 14,-0.0 15,-2.9 -3,-0.0 2,-0.3 0.313 114.6 107.5 74.8 -6.6 -19.0 -3.6 -28.6 23 1376 A E - 0 0 24 13,-0.2 -3,-2.8 -5,-0.1 -2,-0.5 -0.955 63.1 -17.9-150.9 164.4 -18.2 -6.1 -25.8 24 1377 A G + 0 0 0 13,-0.5 15,-2.0 -5,-0.3 -7,-0.7 -0.846 62.3 116.0-136.1 32.9 -16.5 -7.4 -23.9 25 1378 A L > - 0 0 37 13,-0.2 3,-2.1 -9,-0.2 4,-0.4 -0.311 62.7-123.4 -60.7 137.6 -12.7 -7.2 -23.9 26 1379 A A G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.878 110.8 64.5 -42.4 -42.3 -11.1 -5.5 -20.9 27 1380 A K G > S+ 0 0 130 1,-0.3 3,-1.4 -16,-0.2 -1,-0.3 0.695 85.9 70.6 -65.3 -19.0 -9.4 -3.1 -23.4 28 1381 A F G X S+ 0 0 22 -3,-2.1 3,-0.7 1,-0.2 5,-0.3 0.659 86.0 68.7 -68.6 -17.5 -12.8 -1.7 -24.5 29 1382 A A G < S+ 0 0 0 -3,-2.2 107,-2.7 -4,-0.4 -1,-0.2 0.591 109.7 33.8 -71.7 -12.8 -13.0 -0.0 -21.0 30 1383 A I G < S+ 0 0 17 -3,-1.4 -1,-0.2 105,-0.2 -2,-0.2 -0.049 85.6 99.8-135.0 32.9 -10.2 2.3 -22.1 31 1384 A D S < S- 0 0 52 -3,-0.7 -3,-0.1 103,-0.4 3,-0.1 0.248 92.6-112.8-102.5 8.5 -10.6 3.0 -25.9 32 1385 A G S S+ 0 0 53 1,-0.2 2,-0.5 104,-0.1 103,-0.1 0.793 79.3 124.3 66.4 26.7 -12.3 6.4 -25.5 33 1386 A K > - 0 0 109 -5,-0.3 3,-1.2 101,-0.3 -2,-0.2 -0.960 48.4-163.6-124.1 115.9 -15.6 4.9 -26.8 34 1387 A E T 3 S+ 0 0 132 -2,-0.5 37,-0.3 1,-0.2 -1,-0.1 0.736 91.4 58.4 -68.2 -18.3 -18.8 5.2 -24.8 35 1388 A N T 3 S+ 0 0 96 35,-0.1 2,-0.4 99,-0.1 -1,-0.2 0.546 95.2 71.2 -91.9 -4.8 -20.4 2.5 -27.0 36 1389 A T < - 0 0 11 -3,-1.2 2,-0.3 -8,-0.2 -13,-0.2 -0.911 65.6-173.7-110.5 144.5 -17.8 -0.2 -26.3 37 1390 A I - 0 0 8 -15,-2.9 -13,-0.5 -2,-0.4 2,-0.3 -0.963 30.9-124.4-139.8 145.8 -17.6 -2.0 -23.0 38 1391 A W E -G 133 0B 0 95,-2.8 95,-2.1 -2,-0.3 2,-0.3 -0.680 38.7-178.3 -71.9 141.4 -15.7 -4.5 -20.9 39 1392 A H E -G 132 0B 4 -15,-2.0 -22,-2.6 -2,-0.3 93,-0.2 -0.981 30.7-108.9-143.5 137.3 -18.1 -7.2 -19.8 40 1393 A T - 0 0 0 91,-2.7 -24,-0.2 -2,-0.3 -23,-0.1 -0.240 52.4 -85.8 -58.6 157.4 -17.4 -10.2 -17.7 41 1394 A K > + 0 0 58 -25,-0.1 5,-2.0 -24,-0.1 2,-0.3 -0.388 51.6 179.1 -69.9 139.2 -17.4 -13.5 -19.6 42 1395 A Y T 5 + 0 0 70 3,-0.3 3,-0.2 1,-0.2 -26,-0.0 -0.802 43.1 80.9-131.2 176.9 -20.8 -15.2 -20.0 43 1396 A N T 5S+ 0 0 139 -2,-0.3 -1,-0.2 -26,-0.1 2,-0.1 0.972 124.8 24.4 44.9 70.0 -21.8 -18.5 -21.7 44 1397 A P T 5S- 0 0 96 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.597 116.2-130.0 -84.1 155.7 -20.9 -19.9 -19.3 45 1398 A V T 5 - 0 0 64 -3,-0.2 2,-0.6 -2,-0.1 -3,-0.3 -0.359 8.7-145.3 -60.0 136.9 -21.2 -17.0 -16.8 46 1399 A E < - 0 0 74 -5,-2.0 -1,-0.1 -2,-0.1 -31,-0.0 -0.963 29.9-127.2-105.7 112.2 -18.2 -16.4 -14.6 47 1400 A E - 0 0 127 -2,-0.6 83,-0.1 1,-0.1 -6,-0.1 -0.191 33.8 -71.9 -64.0 148.6 -19.6 -15.3 -11.2 48 1401 A L S S+ 0 0 35 81,-0.5 76,-0.1 78,-0.1 2,-0.1 -0.324 93.0 77.3 -65.7 154.8 -18.7 -12.2 -9.3 49 1402 A P + 0 0 85 0, 0.0 2,-0.3 0, 0.0 75,-0.2 0.466 66.7 151.5 -73.2 145.4 -16.6 -11.0 -7.7 50 1403 A Q E - C 0 123A 31 73,-1.5 73,-2.8 -2,-0.1 2,-0.3 -0.952 24.4-156.0-133.9 161.8 -14.6 -10.1 -10.8 51 1404 A S E - C 0 122A 10 -2,-0.3 -37,-2.5 71,-0.2 -36,-0.5 -0.923 12.1-149.9-136.2 155.4 -12.1 -7.2 -11.3 52 1405 A I E -BC 13 121A 1 69,-2.0 69,-2.8 -2,-0.3 2,-0.4 -0.999 18.7-157.7-122.7 134.6 -10.5 -5.0 -14.1 53 1406 A T E -BC 12 120A 16 -41,-3.1 -41,-2.1 -2,-0.4 2,-0.6 -0.934 4.8-156.9-115.2 134.1 -7.0 -3.7 -13.6 54 1407 A L E -BC 11 119A 2 65,-3.2 65,-2.3 -2,-0.4 2,-0.6 -0.960 7.0-153.4-110.2 114.8 -5.5 -0.7 -15.4 55 1408 A E E -BC 10 118A 95 -45,-2.8 -45,-1.9 -2,-0.6 63,-0.2 -0.823 17.8-150.6 -77.2 119.8 -1.7 -0.5 -15.6 56 1409 A L E - 0 0 3 61,-3.2 62,-0.1 -2,-0.6 -48,-0.1 0.705 27.8-112.4 -76.8 -23.4 -1.3 3.2 -15.8 57 1410 A G E S+ 0 0 50 60,-0.5 2,-0.3 1,-0.2 -48,-0.1 0.473 89.2 10.3 99.4 4.8 1.9 3.6 -17.8 58 1411 A G E S- 0 0 26 59,-0.3 2,-0.8 58,-0.1 -2,-0.3 -0.961 95.2 -70.6 175.6-178.9 3.8 5.0 -14.9 59 1412 A S E + 0 0 61 -2,-0.3 2,-0.3 -3,-0.1 58,-0.3 -0.855 60.5 177.5 -96.3 102.7 3.9 5.6 -11.2 60 1413 A Y E - C 0 116A 85 56,-2.6 56,-2.4 -2,-0.8 2,-1.0 -0.773 38.7-124.8-112.6 155.8 1.3 8.4 -10.6 61 1414 A E E - C 0 115A 109 -2,-0.3 2,-0.3 54,-0.2 54,-0.3 -0.812 43.2-165.0 -92.4 95.4 -0.1 10.3 -7.7 62 1415 A I E + C 0 114A 0 52,-2.8 52,-1.9 -2,-1.0 78,-0.2 -0.650 28.7 166.3 -99.1 146.2 -3.8 9.7 -8.3 63 1416 A N E + 0 0 53 76,-2.0 48,-2.2 1,-0.3 2,-0.3 0.435 63.7 33.8-134.0 -6.8 -6.8 11.5 -6.7 64 1417 A K E -DC 139 110A 53 75,-0.9 75,-2.6 46,-0.2 2,-0.3 -0.993 50.3-171.6-155.5 148.2 -9.9 10.6 -8.7 65 1418 A F E -DC 138 109A 2 44,-2.5 44,-3.3 -2,-0.3 2,-0.4 -0.981 11.9-157.3-142.6 128.4 -11.3 7.6 -10.7 66 1419 A T E -DC 137 108A 8 71,-2.3 71,-2.1 -2,-0.3 2,-0.5 -0.904 3.8-162.0-115.2 144.5 -14.4 7.6 -12.9 67 1420 A Y E -DC 136 107A 1 40,-2.9 40,-3.1 -2,-0.4 69,-0.2 -0.984 3.5-168.4-123.4 111.5 -16.6 4.7 -14.0 68 1421 A L E -D 135 0A 30 67,-2.4 66,-2.1 -2,-0.5 67,-1.6 -0.931 16.9-146.0-101.3 114.3 -18.9 5.2 -16.9 69 1422 A P - 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