==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-AUG-08 3E8V . COMPND 2 MOLECULE: POSSIBLE TRANSGLUTAMINASE-FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS NCTC 9343; . AUTHOR J.B.BONANNO,M.RUTTER,K.T.BAIN,S.HU,R.ROMERO,D.SMITH, . 82 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 79.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 41.5 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 . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 15 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 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 . 1 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 2 0 0 1 1 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 . 0 0 1 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 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 1 289 A A 0 0 64 0, 0.0 47,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-173.3 24.2 29.8 -7.2 2 290 A K E -A 47 0A 118 45,-0.2 2,-0.5 43,-0.0 69,-0.4 -0.844 360.0-163.2-104.0 137.2 25.3 33.4 -7.0 3 291 A G E -A 46 0A 0 43,-3.3 43,-2.5 -2,-0.4 2,-0.4 -0.983 5.3-164.8-122.7 122.4 27.9 34.6 -4.5 4 292 A S E -Ab 45 75A 19 70,-1.9 72,-2.5 -2,-0.5 2,-0.4 -0.850 1.1-159.8-108.3 145.0 28.3 38.2 -3.6 5 293 A V E -Ab 44 76A 0 39,-4.0 39,-2.0 -2,-0.4 2,-0.5 -0.972 5.7-162.7-124.3 130.1 31.2 39.9 -1.9 6 294 A L E -Ab 43 77A 39 70,-3.3 72,-4.0 -2,-0.4 2,-0.6 -0.965 12.1-163.1-107.4 124.0 31.3 43.3 0.0 7 295 A V E + b 0 78A 0 35,-3.2 8,-2.8 -2,-0.5 2,-0.3 -0.923 16.0 166.7-109.1 120.3 34.8 44.6 0.5 8 296 A T E -Cb 14 79A 17 70,-2.4 72,-2.8 -2,-0.6 2,-0.1 -0.861 32.1-117.9-124.7 162.9 35.4 47.3 3.1 9 297 A D > - 0 0 54 4,-2.8 3,-1.9 -2,-0.3 72,-0.1 -0.337 50.4 -84.8 -85.0 179.8 38.4 48.9 4.9 10 298 A A T 3 S+ 0 0 90 70,-0.4 71,-0.1 1,-0.3 69,-0.0 0.644 129.1 57.9 -64.5 -14.9 39.0 48.7 8.6 11 299 A E T 3 S- 0 0 90 2,-0.1 -1,-0.3 3,-0.0 68,-0.0 0.114 122.3-102.5-103.7 17.5 36.7 51.7 9.2 12 300 A G S < S+ 0 0 55 -3,-1.9 -2,-0.1 1,-0.3 -5,-0.0 0.568 76.2 142.6 79.4 11.0 33.7 50.1 7.4 13 301 A Q - 0 0 122 -4,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.696 55.6-112.9 -88.2 130.6 34.2 52.1 4.3 14 302 A P B -C 8 0A 51 0, 0.0 2,-0.7 0, 0.0 -6,-0.3 -0.370 24.4-136.0 -60.4 137.2 33.6 50.3 0.9 15 303 A V > - 0 0 18 -8,-2.8 3,-0.8 27,-0.2 2,-0.3 -0.867 14.8-149.3 -99.4 111.6 36.7 49.7 -1.2 16 304 A A T 3 S+ 0 0 46 -2,-0.7 23,-0.2 1,-0.2 24,-0.2 -0.598 77.6 9.5 -76.7 138.5 36.1 50.5 -4.8 17 305 A D T 3 S+ 0 0 98 21,-1.9 -1,-0.2 22,-0.3 2,-0.1 0.691 81.7 158.7 64.9 24.1 38.2 48.5 -7.4 18 306 A A < - 0 0 0 -3,-0.8 20,-2.1 21,-0.2 2,-0.4 -0.490 46.7-112.5 -65.2 142.0 39.6 46.0 -4.9 19 307 A T E -DE 37 58B 39 39,-3.6 39,-2.8 18,-0.2 2,-0.5 -0.698 32.2-165.0 -80.3 131.3 40.7 42.7 -6.6 20 308 A V E -DE 36 57B 0 16,-3.6 16,-3.2 -2,-0.4 2,-0.4 -0.938 4.7-172.0-125.1 110.1 38.6 39.8 -5.7 21 309 A E E -DE 35 56B 51 35,-2.7 35,-3.2 -2,-0.5 2,-0.5 -0.835 10.3-154.7 -99.9 132.8 39.8 36.3 -6.4 22 310 A F E -DE 34 55B 0 12,-2.3 11,-3.0 -2,-0.4 12,-1.1 -0.956 20.9-170.3-106.9 122.6 37.6 33.2 -6.0 23 311 A K E -DE 32 54B 36 31,-3.0 31,-2.7 -2,-0.5 2,-0.4 -0.908 16.9-149.2-123.8 145.2 39.6 30.0 -5.3 24 312 A V E -D 31 0B 47 7,-2.0 7,-2.5 -2,-0.3 2,-0.4 -0.881 25.6-120.1-111.1 136.8 38.8 26.3 -5.1 25 313 A Y E +D 30 0B 138 27,-0.4 2,-0.3 -2,-0.4 5,-0.2 -0.651 45.9 151.8 -81.2 126.6 40.8 23.9 -2.9 26 314 A N E > +D 29 0B 78 3,-2.9 3,-2.2 -2,-0.4 -2,-0.0 -0.955 62.3 1.2-153.5 142.9 42.5 21.1 -4.8 27 315 A Y T 3 S- 0 0 208 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.887 129.4 -55.5 44.8 50.8 45.6 19.1 -4.2 28 316 A A T 3 S+ 0 0 72 1,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.550 123.0 80.1 62.6 12.5 46.3 20.9 -0.9 29 317 A E E < S-D 26 0B 125 -3,-2.2 -3,-2.9 -5,-0.1 2,-0.5 -0.880 78.4-109.2-139.3 171.6 46.3 24.4 -2.4 30 318 A F E -D 25 0B 96 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.925 26.7-160.4-108.2 125.9 43.8 27.1 -3.6 31 319 A Y E -D 24 0B 115 -7,-2.5 -7,-2.0 -2,-0.5 2,-0.2 -0.914 21.7-121.2-110.9 124.4 43.5 27.7 -7.4 32 320 A T E +D 23 0B 60 -2,-0.5 -9,-0.3 -9,-0.2 3,-0.1 -0.430 33.0 171.7 -66.6 129.5 42.0 31.0 -8.6 33 321 A V E + 0 0 93 -11,-3.0 2,-0.3 1,-0.4 -10,-0.2 0.613 66.1 11.8-114.5 -24.9 39.0 30.3 -10.8 34 322 A A E -D 22 0B 18 -12,-1.1 -12,-2.3 2,-0.0 2,-0.4 -0.982 58.4-155.5-152.9 151.7 37.7 33.9 -11.3 35 323 A T E +D 21 0B 72 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.989 20.2 173.7-135.2 120.1 39.0 37.4 -10.6 36 324 A K E -D 20 0B 86 -16,-3.2 -16,-3.6 -2,-0.4 2,-0.4 -0.807 22.6-138.4-120.6 162.3 36.6 40.3 -10.1 37 325 A H E -D 19 0B 100 -2,-0.3 -18,-0.2 -18,-0.2 6,-0.1 -0.979 28.1-113.0-123.7 138.7 37.0 43.9 -9.2 38 326 A T - 0 0 2 -20,-2.1 -21,-1.9 -2,-0.4 6,-0.2 -0.399 28.1-131.0 -70.5 146.1 34.6 45.7 -6.8 39 327 A D > - 0 0 84 4,-2.1 3,-2.0 -23,-0.2 -22,-0.3 -0.062 46.7 -72.5 -80.3-169.7 32.4 48.4 -8.1 40 328 A R T 3 S+ 0 0 93 1,-0.3 -24,-0.2 -24,-0.2 -2,-0.1 0.680 135.0 53.6 -65.2 -16.1 31.9 51.9 -6.5 41 329 A S T 3 S- 0 0 57 2,-0.1 -1,-0.3 -26,-0.1 -26,-0.1 0.501 119.9-107.0 -92.3 -6.1 29.9 50.3 -3.6 42 330 A G S < S+ 0 0 0 -3,-2.0 -35,-3.2 1,-0.3 2,-0.4 0.651 75.0 137.0 87.3 20.8 32.7 47.7 -2.8 43 331 A H E +A 6 0A 59 -37,-0.2 -4,-2.1 -6,-0.1 2,-0.3 -0.797 26.5 170.4-106.9 142.9 30.7 44.8 -4.3 44 332 A A E -A 5 0A 9 -39,-2.0 -39,-4.0 -2,-0.4 2,-0.3 -0.978 11.3-165.9-143.0 151.7 31.7 41.9 -6.5 45 333 A S E -A 4 0A 36 -2,-0.3 2,-0.3 -41,-0.3 -41,-0.2 -0.942 7.3-170.4-137.6 152.4 29.7 38.8 -7.5 46 334 A L E -A 3 0A 21 -43,-2.5 -43,-3.3 -2,-0.3 2,-0.5 -0.990 13.7-149.2-140.9 138.5 30.3 35.4 -9.1 47 335 A T E +A 2 0A 105 -2,-0.3 2,-0.3 -45,-0.2 -45,-0.2 -0.954 41.7 140.1-103.2 124.9 27.8 32.8 -10.3 48 336 A A - 0 0 28 -47,-2.3 3,-0.1 -2,-0.5 -2,-0.1 -0.957 54.8 -61.1-153.9 168.8 29.3 29.3 -9.9 49 337 A G - 0 0 62 -2,-0.3 21,-0.2 1,-0.1 22,-0.0 -0.242 67.5 -93.1 -51.5 141.5 28.7 25.7 -9.0 50 338 A K S S+ 0 0 83 21,-0.1 2,-0.2 19,-0.1 21,-0.2 -0.296 83.0 92.7 -56.9 148.0 27.5 25.2 -5.4 51 339 A G E S- F 0 70B 38 19,-1.7 19,-3.5 -3,-0.1 2,-0.4 -0.777 77.6 -61.1 138.0 166.4 30.5 24.6 -3.1 52 340 A D E - F 0 69B 97 17,-0.3 -27,-0.4 -2,-0.2 2,-0.4 -0.707 46.2-179.3 -91.9 129.5 33.1 26.3 -0.9 53 341 A M E - F 0 68B 11 15,-3.2 15,-3.0 -2,-0.4 2,-0.5 -0.965 27.8-128.5-123.4 147.9 35.4 28.9 -2.3 54 342 A L E -EF 23 67B 28 -31,-2.7 -31,-3.0 -2,-0.4 2,-0.5 -0.842 25.4-153.2 -85.1 124.5 38.1 30.9 -0.7 55 343 A V E -EF 22 66B 0 11,-3.4 11,-1.8 -2,-0.5 2,-0.6 -0.899 9.4-167.8-102.3 125.6 37.5 34.6 -1.5 56 344 A W E -EF 21 65B 76 -35,-3.2 -35,-2.7 -2,-0.5 2,-0.5 -0.943 3.6-170.4-119.8 113.6 40.7 36.7 -1.5 57 345 A A E +EF 20 64B 0 7,-3.2 7,-2.5 -2,-0.6 2,-0.3 -0.891 10.0 171.1-109.7 133.2 40.2 40.4 -1.6 58 346 A S E +EF 19 63B 35 -39,-2.8 -39,-3.6 -2,-0.5 2,-0.3 -0.995 17.2 173.5-142.6 150.4 43.1 42.9 -2.1 59 347 A K E > S- F 0 62B 64 3,-2.7 3,-2.1 -2,-0.3 -41,-0.1 -0.891 76.4 -23.5-153.0 120.5 43.8 46.5 -2.8 60 348 A D T 3 S- 0 0 149 -2,-0.3 3,-0.1 1,-0.3 -42,-0.0 0.871 125.9 -46.5 45.7 53.9 47.3 48.2 -2.8 61 349 A G T 3 S+ 0 0 81 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.583 116.0 110.5 66.4 9.4 48.9 45.5 -0.6 62 350 A R E < +F 59 0B 35 -3,-2.1 -3,-2.7 2,-0.0 2,-0.3 -0.920 47.9 171.8-104.6 143.4 46.1 45.5 2.0 63 351 A F E +F 58 0B 60 19,-1.8 19,-1.1 -2,-0.4 2,-0.3 -0.979 22.6 179.6-149.8 158.9 44.1 42.2 1.9 64 352 A G E -F 57 0B 2 -7,-2.5 -7,-3.2 -2,-0.3 2,-0.3 -0.966 11.3-166.1-153.9 165.9 41.4 40.0 3.6 65 353 A Y E +F 56 0B 99 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.973 9.4 167.6-151.0 158.3 39.8 36.7 2.9 66 354 A S E -F 55 0B 51 -11,-1.8 -11,-3.4 -2,-0.3 2,-0.4 -0.965 36.8 -94.9-167.0 166.5 37.0 34.4 3.7 67 355 A K E -F 54 0B 123 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.2 -0.671 29.9-166.5 -81.9 130.8 35.1 31.2 2.8 68 356 A L E -F 53 0B 0 -15,-3.0 -15,-3.2 -2,-0.4 2,-0.9 -0.991 9.3-153.7-118.9 120.7 32.0 31.6 0.7 69 357 A S E >> -F 52 0B 5 -2,-0.5 4,-3.1 -17,-0.3 3,-2.2 -0.856 21.2-138.9 -89.4 103.9 29.8 28.6 0.5 70 358 A F E 34 S+Fg 51 73B 2 -19,-3.5 -19,-1.7 -2,-0.9 -67,-0.1 -0.510 88.8 21.1 -72.6 122.8 28.1 29.0 -2.9 71 359 A G T 34 S+ 0 0 52 2,-0.6 -1,-0.3 -69,-0.4 3,-0.1 0.334 128.9 50.1 99.5 -5.1 24.5 28.1 -2.6 72 360 A K T <4 S+ 0 0 169 -3,-2.2 2,-0.4 1,-0.3 -2,-0.2 0.557 101.3 56.4-127.1 -42.4 24.5 28.6 1.3 73 361 A D B < -g 70 0B 58 -4,-3.1 -2,-0.6 1,-0.2 -1,-0.3 -0.794 59.4-167.9 -95.5 137.3 26.0 32.0 1.9 74 362 A N - 0 0 142 -2,-0.4 -70,-1.9 1,-0.3 2,-0.4 0.919 69.6 -0.1 -91.2 -48.8 24.4 35.0 0.2 75 363 A E E -b 4 0A 100 -72,-0.2 2,-0.5 -30,-0.0 -1,-0.3 -0.975 61.7-152.9-147.3 128.3 26.9 37.8 0.7 76 364 A L E -b 5 0A 23 -72,-2.5 -70,-3.3 -2,-0.4 2,-0.6 -0.849 8.7-147.9-100.5 128.5 30.2 37.8 2.4 77 365 A K E -b 6 0A 66 -2,-0.5 2,-0.5 -72,-0.2 -70,-0.2 -0.874 16.0-165.3 -91.3 124.9 31.6 40.9 3.9 78 366 A I E -b 7 0A 3 -72,-4.0 -70,-2.4 -2,-0.6 2,-0.7 -0.960 8.3-152.1-115.7 125.1 35.5 41.0 3.7 79 367 A T E -b 8 0A 70 -2,-0.5 2,-3.1 -72,-0.2 -14,-0.2 -0.834 16.6-137.4 -92.4 110.6 37.5 43.5 5.8 80 368 A L + 0 0 17 -72,-2.8 -70,-0.4 -2,-0.7 -16,-0.2 -0.409 53.3 146.8 -63.8 72.0 40.8 44.4 4.2 81 369 A D 0 0 60 -2,-3.1 -1,-0.2 -18,-0.2 -17,-0.1 0.075 360.0 360.0-103.4 18.2 42.3 44.1 7.7 82 370 A K 0 0 127 -19,-1.1 -19,-1.8 -3,-0.0 0, 0.0 -0.902 360.0 360.0-145.3 360.0 45.8 42.8 6.8