==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-07 2VH9 . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TROPAEOLUM MAJUS; . AUTHOR M.CZJZEK,P.MARK,M.J.BAUMANN,J.M.EKLOF,G.MICHEL,H.BRUMER . 532 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 63.3 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 . 197 37.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 10 1.9 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 . 30 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 1 1 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 . 8 0 4 6 3 3 6 2 2 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 0 0 0 0 4 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 1 A Q 0 0 246 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.0 -0.7 -6.8 87.0 2 2 A G - 0 0 47 127,-0.1 3,-0.1 2,-0.1 128,-0.0 0.237 360.0 -33.4 57.9-178.0 0.9 -3.3 86.3 3 3 A P S S- 0 0 25 0, 0.0 2,-0.3 0, 0.0 236,-0.1 -0.305 79.2 -89.3 -64.7 159.9 3.7 -1.7 88.3 4 4 A P - 0 0 56 0, 0.0 238,-0.1 0, 0.0 -2,-0.1 -0.585 60.0 -92.7 -67.4 135.9 3.7 -2.4 92.0 5 5 A S - 0 0 69 -2,-0.3 234,-0.2 1,-0.2 233,-0.1 -0.182 22.4-138.1 -53.2 136.2 1.5 0.3 93.6 6 6 A P - 0 0 5 0, 0.0 230,-0.2 0, 0.0 -1,-0.2 0.719 30.7-137.5 -65.2 -20.8 3.5 3.3 94.8 7 7 A G S S+ 0 0 42 228,-0.2 2,-0.3 229,-0.1 -2,-0.1 0.491 77.7 60.3 77.3 4.6 1.3 3.2 97.9 8 8 A Y - 0 0 49 146,-0.2 225,-0.0 227,-0.1 218,-0.0 -0.939 65.5-153.4-160.5 145.2 0.8 7.0 98.0 9 9 A Y >> + 0 0 93 -2,-0.3 3,-1.2 1,-0.2 4,-0.6 -0.729 13.8 175.8-131.7 78.6 -0.8 9.4 95.4 10 10 A P G >4 S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.859 81.4 61.0 -49.6 -43.1 0.5 13.0 95.5 11 11 A S G >4 S+ 0 0 16 1,-0.3 3,-0.9 2,-0.2 52,-0.1 0.830 102.3 52.1 -56.4 -35.0 -1.5 14.0 92.4 12 12 A S G <4 S+ 0 0 75 -3,-1.2 -1,-0.3 1,-0.2 4,-0.1 0.610 104.2 58.0 -77.9 -15.3 -4.8 13.1 94.3 13 13 A Q G << S+ 0 0 134 -3,-1.6 2,-0.4 -4,-0.6 -1,-0.2 0.315 96.2 73.7 -97.0 5.9 -3.8 15.3 97.2 14 14 A I S < S- 0 0 27 -3,-0.9 2,-0.1 -4,-0.2 197,-0.1 -0.946 91.5-101.6-125.9 140.1 -3.5 18.5 95.2 15 15 A T - 0 0 109 -2,-0.4 195,-0.5 195,-0.1 2,-0.4 -0.371 31.5-126.8 -63.5 131.4 -6.3 20.5 93.8 16 16 A S - 0 0 55 193,-0.1 2,-0.3 -2,-0.1 193,-0.2 -0.675 31.1-164.0 -75.3 128.5 -7.1 20.1 90.1 17 17 A L B -A 208 0A 38 191,-2.8 191,-1.9 -2,-0.4 2,-0.2 -0.835 18.1-118.4-112.0 154.1 -7.1 23.4 88.3 18 18 A G >> - 0 0 17 -2,-0.3 3,-1.4 189,-0.2 4,-0.5 -0.497 38.4-102.6 -79.2 161.7 -8.4 24.5 84.9 19 19 A F H >> S+ 0 0 1 18,-1.9 4,-2.3 1,-0.3 3,-1.8 0.893 118.4 55.8 -53.6 -48.2 -5.9 25.9 82.4 20 20 A D H 34 S+ 0 0 111 1,-0.3 -1,-0.3 2,-0.2 14,-0.0 0.618 97.3 64.5 -66.3 -16.1 -6.9 29.5 82.9 21 21 A Q H <4 S+ 0 0 134 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.697 123.8 11.6 -77.7 -18.7 -6.2 29.3 86.6 22 22 A G H << S+ 0 0 1 -3,-1.8 32,-2.6 -4,-0.5 33,-0.5 0.558 122.7 37.5-130.1 -12.2 -2.5 28.7 86.1 23 23 A Y E < -B 53 0B 0 -4,-2.3 2,-0.3 30,-0.3 30,-0.2 -0.905 45.7-165.4-146.4 155.4 -1.5 29.3 82.5 24 24 A T E -B 52 0B 77 28,-2.0 28,-2.4 -2,-0.3 -4,-0.0 -0.953 44.8 -80.8-135.3 162.9 -2.0 31.4 79.3 25 25 A N E -B 51 0B 38 -2,-0.3 26,-0.3 26,-0.2 3,-0.1 -0.272 34.2-176.4 -52.8 142.3 -1.0 30.9 75.7 26 26 A L E - 0 0 64 24,-3.0 2,-0.3 1,-0.5 25,-0.2 0.673 68.8 -9.5-105.8 -44.3 2.6 31.7 74.8 27 27 A W E S+B 50 0B 97 23,-2.2 23,-2.5 1,-0.2 -1,-0.5 -0.990 116.6 36.5-156.3 157.5 2.4 31.1 71.1 28 28 A G > + 0 0 7 -2,-0.3 3,-2.0 21,-0.2 14,-0.2 0.934 55.1 170.9 62.6 49.8 0.1 29.7 68.4 29 29 A P G > S+ 0 0 82 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.835 75.3 61.2 -59.7 -32.3 -3.1 31.0 70.1 30 30 A Q G 3 S+ 0 0 114 1,-0.3 19,-0.1 3,-0.0 -2,-0.1 0.543 103.3 51.9 -69.1 -11.1 -5.1 30.0 67.0 31 31 A H G < S+ 0 0 14 -3,-2.0 11,-1.6 17,-0.2 2,-0.4 -0.130 98.2 86.1-115.2 31.6 -4.0 26.4 67.7 32 32 A Q E < +I 41 0C 38 -3,-1.4 2,-0.3 9,-0.2 9,-0.2 -1.000 48.5 173.9-132.6 134.3 -5.2 26.5 71.3 33 33 A R E -I 40 0C 135 7,-2.4 7,-2.8 -2,-0.4 2,-0.4 -0.996 11.9-162.2-135.9 142.2 -8.7 25.8 72.7 34 34 A V E +I 39 0C 49 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.985 8.4 179.8-122.3 127.8 -9.9 25.6 76.3 35 35 A D E > S-I 38 0C 87 3,-2.6 3,-1.6 -2,-0.4 -2,-0.0 -0.941 74.5 -26.0-133.1 108.6 -13.1 23.9 77.2 36 36 A Q T 3 S- 0 0 199 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.895 128.1 -45.8 53.9 49.0 -14.1 23.8 80.9 37 37 A G T 3 S+ 0 0 18 1,-0.2 -18,-1.9 -19,-0.1 2,-0.4 0.233 113.0 120.5 85.2 -13.4 -10.5 24.0 82.0 38 38 A S E < -I 35 0C 21 -3,-1.6 -3,-2.6 -20,-0.2 2,-0.4 -0.729 53.5-141.7 -92.1 136.0 -9.3 21.4 79.6 39 39 A L E -IJ 34 205C 0 166,-3.5 166,-2.3 -2,-0.4 2,-0.4 -0.763 16.5-176.0-102.0 134.2 -6.6 22.4 77.0 40 40 A T E +IJ 33 204C 11 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.3 -0.996 11.2 170.7-126.1 127.5 -6.3 21.2 73.4 41 41 A I E -IJ 32 203C 0 162,-2.7 162,-3.4 -2,-0.4 2,-0.3 -0.957 8.1-169.7-133.4 151.7 -3.4 22.3 71.3 42 42 A W E - J 0 202C 51 -11,-1.6 2,-0.4 -2,-0.3 160,-0.2 -0.980 18.2-139.6-150.8 159.9 -2.3 21.2 67.9 43 43 A L E + J 0 201C 1 158,-1.9 158,-2.4 -2,-0.3 5,-0.3 -0.934 27.3 155.1-116.4 127.7 0.4 21.2 65.2 44 44 A D - 0 0 32 3,-2.4 3,-0.4 -2,-0.4 137,-0.1 -0.770 61.8 -77.4-133.5-166.0 -0.1 21.5 61.5 45 45 A S S S+ 0 0 80 -2,-0.2 3,-0.1 1,-0.2 151,-0.0 0.581 128.3 46.9 -75.1 -9.8 2.2 22.8 58.7 46 46 A T S S- 0 0 109 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.719 124.0 -21.0 -99.0 -29.5 1.6 26.4 59.6 47 47 A S - 0 0 25 -3,-0.4 -3,-2.4 -19,-0.0 -1,-0.3 -0.954 41.2-146.3-173.6 149.4 2.1 26.3 63.4 48 48 A G - 0 0 7 -2,-0.3 2,-0.3 -5,-0.3 132,-0.2 -0.111 33.3-128.7 -91.4-154.9 2.2 24.3 66.6 49 49 A S E - C 0 179B 0 130,-1.3 130,-2.0 -2,-0.1 2,-0.3 -0.976 22.3-178.1-156.6 156.4 1.2 25.9 69.8 50 50 A G E -BC 27 178B 0 -23,-2.5 -24,-3.0 -2,-0.3 -23,-2.2 -0.993 8.6-152.0-157.6 159.7 2.5 26.4 73.4 51 51 A F E -BC 25 177B 0 126,-2.0 126,-1.8 -2,-0.3 2,-0.3 -0.823 3.6-153.1-133.3 167.1 1.7 27.8 76.8 52 52 A K E -BC 24 176B 35 -28,-2.4 -28,-2.0 -2,-0.3 124,-0.2 -0.993 28.0-102.4-144.9 140.4 3.4 29.2 79.9 53 53 A S E -B 23 0B 4 122,-3.0 -30,-0.3 -2,-0.3 -31,-0.0 -0.297 22.5-133.9 -60.7 149.0 2.5 29.4 83.6 54 54 A I S S+ 0 0 82 -32,-2.6 2,-0.3 120,-0.0 -31,-0.1 0.835 89.2 50.5 -68.9 -37.2 1.3 32.8 84.9 55 55 A N S S- 0 0 64 -33,-0.5 120,-0.5 159,-0.0 2,-0.4 -0.701 76.9-132.7-107.6 159.2 3.7 32.6 87.8 56 56 A R - 0 0 68 -2,-0.3 159,-2.4 118,-0.1 160,-0.4 -0.894 32.0-148.9-109.5 138.9 7.4 31.9 88.1 57 57 A Y E -KL 173 214C 9 116,-2.9 116,-2.2 -2,-0.4 157,-0.3 -0.759 31.9-167.3-121.8 153.4 8.4 29.3 90.8 58 58 A R E S- 0 0 83 155,-2.9 2,-0.3 1,-0.4 156,-0.2 0.536 83.1 -13.9-107.5 -15.1 11.2 28.4 93.2 59 59 A S E S+ L 0 213C 7 154,-1.2 154,-2.7 114,-0.1 -1,-0.4 -0.965 76.8 108.8-171.7 166.8 9.9 24.9 94.0 60 60 A G E -ML 143 212C 0 83,-2.7 83,-2.9 -2,-0.3 2,-0.5 -0.853 59.7 -71.3 152.3 175.3 6.9 22.7 93.7 61 61 A Y E -ML 142 211C 0 150,-1.2 150,-1.6 -2,-0.3 2,-0.5 -0.961 42.9-168.9-101.3 126.0 4.9 19.8 92.3 62 62 A F E +ML 141 210C 1 79,-2.8 79,-2.7 -2,-0.5 2,-0.3 -0.967 17.3 164.3-126.9 113.2 3.9 20.5 88.7 63 63 A G E +ML 140 209C 0 146,-2.4 146,-3.1 -2,-0.5 2,-0.3 -0.889 17.7 172.6-136.6 150.4 1.4 18.1 87.2 64 64 A A E -M 139 0C 0 75,-2.3 75,-2.3 -2,-0.3 2,-0.5 -0.975 32.4-123.8-153.8 149.4 -1.0 17.6 84.4 65 65 A N E -ML 138 206C 31 141,-3.1 141,-2.5 -2,-0.3 2,-0.4 -0.858 41.2-172.3 -89.2 127.7 -3.2 14.9 83.0 66 66 A I E -ML 137 205C 0 71,-2.6 71,-2.1 -2,-0.5 2,-0.4 -0.951 19.7-163.6-129.0 140.1 -2.2 14.4 79.4 67 67 A K E - 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