==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-MAR-07 2UWC . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TROPAEOLUM MAJUS; . AUTHOR M.J.BAUMANN,J.M.EKLOF,G.MICHEL,A.KALLAS,T.T.TEERI,H.BRUMER, . 531 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 195 36.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 6.2 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+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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 2 6 4 4 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 0 0 0 0 0 0 1 0 1 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 3 A P 0 0 94 0, 0.0 239,-0.1 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 98.4 39.5 85.8 8.0 2 4 A P - 0 0 59 0, 0.0 241,-0.1 0, 0.0 0, 0.0 -0.288 360.0 -95.4 -73.2 148.0 42.5 84.0 6.2 3 5 A S - 0 0 52 1,-0.2 237,-0.1 2,-0.1 154,-0.1 -0.245 20.6-148.8 -47.8 134.3 42.8 83.8 2.4 4 6 A P - 0 0 2 0, 0.0 233,-0.2 0, 0.0 -1,-0.2 0.481 34.7-130.3 -79.5 -8.8 41.4 80.4 1.1 5 7 A G S S+ 0 0 39 231,-0.1 2,-0.3 232,-0.1 -2,-0.1 0.456 82.9 70.4 77.5 1.1 44.0 80.8 -1.7 6 8 A Y - 0 0 43 151,-0.2 228,-0.0 221,-0.1 221,-0.0 -0.967 62.3-161.0-149.9 135.8 41.6 80.1 -4.5 7 9 A Y > - 0 0 98 -2,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.790 7.1-177.5-125.1 80.7 38.9 82.5 -5.6 8 10 A P G > S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.810 80.8 58.3 -48.2 -38.7 36.2 80.6 -7.7 9 11 A S G > S+ 0 0 14 1,-0.3 3,-1.0 2,-0.2 52,-0.0 0.758 95.5 64.1 -69.8 -21.7 34.1 83.7 -8.4 10 12 A S G < S+ 0 0 85 -3,-1.6 -1,-0.3 1,-0.2 3,-0.0 0.581 99.5 54.4 -81.1 -6.2 37.0 85.4 -10.0 11 13 A Q G < S+ 0 0 106 -3,-1.5 2,-0.5 -4,-0.3 -1,-0.2 0.473 95.4 74.5-104.8 -0.4 37.0 82.8 -12.7 12 14 A I S < S- 0 0 25 -3,-1.0 2,-0.2 -4,-0.3 200,-0.1 -0.943 79.9-126.5-117.1 128.0 33.3 83.0 -13.8 13 15 A T - 0 0 117 -2,-0.5 198,-0.5 198,-0.1 2,-0.1 -0.461 31.0-115.2 -71.0 137.2 32.1 86.0 -15.9 14 16 A S - 0 0 42 -2,-0.2 2,-0.3 196,-0.1 196,-0.2 -0.416 27.3-154.0 -67.4 150.6 29.1 87.8 -14.5 15 17 A L B -A 209 0A 5 194,-2.4 194,-1.3 -2,-0.1 2,-0.3 -0.838 18.5-111.1-122.1 158.8 25.7 87.8 -16.2 16 18 A G > - 0 0 15 -2,-0.3 3,-1.3 192,-0.2 4,-0.5 -0.646 38.5-105.5 -80.1 148.4 22.8 90.2 -16.1 17 19 A F G >> S+ 0 0 1 18,-1.9 4,-2.1 -2,-0.3 3,-1.6 0.827 115.8 54.1 -34.1 -57.6 19.6 89.0 -14.4 18 20 A D G 34 S+ 0 0 119 1,-0.3 -1,-0.2 2,-0.2 14,-0.0 0.638 96.9 65.4 -68.6 -22.8 17.6 88.5 -17.6 19 21 A Q G <4 S+ 0 0 99 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.639 124.4 11.9 -67.3 -19.2 20.2 86.2 -19.2 20 22 A G T <4 S+ 0 0 2 -3,-1.6 32,-2.2 -4,-0.5 33,-0.5 0.597 122.8 44.0-131.5 -12.2 19.6 83.5 -16.4 21 23 A Y E < -B 51 0B 4 -4,-2.1 2,-0.3 30,-0.3 30,-0.2 -0.887 47.8-162.5-144.1 161.5 16.4 84.4 -14.5 22 24 A T E -B 50 0B 75 28,-2.3 28,-2.5 -2,-0.3 2,-0.1 -0.959 39.7 -90.8-144.4 149.4 12.9 85.6 -14.6 23 25 A N E -B 49 0B 39 -2,-0.3 26,-0.3 26,-0.2 3,-0.1 -0.441 36.0-178.5 -58.5 136.1 10.4 87.1 -12.1 24 26 A L E - 0 0 57 24,-3.0 2,-0.3 1,-0.4 25,-0.2 0.770 63.3 -6.5-105.3 -47.5 8.4 84.4 -10.4 25 27 A W E S+B 48 0B 92 23,-2.1 23,-2.2 1,-0.2 -1,-0.4 -0.981 116.4 35.7-147.0 165.6 6.2 86.3 -8.1 26 28 A G > + 0 0 7 -2,-0.3 3,-1.5 21,-0.2 14,-0.2 0.941 57.2 172.0 58.3 52.9 5.7 89.9 -7.0 27 29 A P G > S+ 0 0 82 0, 0.0 3,-1.0 0, 0.0 20,-0.1 0.807 75.3 58.8 -63.0 -28.7 6.6 91.4 -10.4 28 30 A Q G 3 S+ 0 0 108 1,-0.3 19,-0.1 3,-0.0 -2,-0.1 0.626 103.2 53.2 -70.6 -15.7 5.5 94.9 -9.1 29 31 A H G < S+ 0 0 13 -3,-1.5 11,-1.9 17,-0.2 2,-0.3 -0.174 99.3 81.1-111.4 32.5 8.0 94.6 -6.3 30 32 A Q E < +C 39 0B 35 -3,-1.0 2,-0.3 9,-0.2 9,-0.2 -0.994 50.8 178.2-136.7 140.4 10.9 93.9 -8.7 31 33 A R E -C 38 0B 130 7,-2.5 7,-2.9 -2,-0.3 2,-0.5 -0.992 13.6-154.9-141.8 148.9 13.1 96.1 -10.9 32 34 A V E -C 37 0B 40 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.992 9.2-176.0-121.3 124.8 16.0 95.4 -13.2 33 35 A D E > S-C 36 0B 50 3,-2.8 3,-1.7 -2,-0.5 -2,-0.0 -0.935 75.9 -33.3-125.5 104.3 18.7 98.1 -14.0 34 36 A Q T 3 S- 0 0 192 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.873 127.4 -43.0 51.6 43.7 21.3 97.1 -16.5 35 37 A G T 3 S+ 0 0 15 1,-0.2 -18,-1.9 -19,-0.1 2,-0.5 0.363 113.9 117.6 91.3 -6.1 21.2 93.6 -15.2 36 38 A S E < -C 33 0B 25 -3,-1.7 -3,-2.8 -20,-0.1 2,-0.4 -0.850 54.2-141.5 -97.4 137.4 21.1 94.4 -11.5 37 39 A L E -CD 32 206B 0 169,-2.8 169,-2.4 -2,-0.5 2,-0.5 -0.716 16.8-173.5-106.3 135.8 18.1 93.3 -9.5 38 40 A T E +CD 31 205B 14 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.3 -0.998 12.3 174.6-121.9 127.6 16.2 95.0 -6.8 39 41 A I E -CD 30 204B 0 165,-3.0 165,-3.6 -2,-0.5 2,-0.3 -0.953 6.2-173.4-124.7 151.5 13.4 93.1 -5.0 40 42 A W E - D 0 203B 56 -11,-1.9 2,-0.4 -2,-0.3 163,-0.2 -0.968 18.3-144.1-146.6 162.1 11.4 94.2 -2.0 41 43 A L E + D 0 202B 7 161,-2.0 161,-2.0 -2,-0.3 5,-0.3 -0.985 25.5 154.9-121.4 132.0 8.8 93.2 0.6 42 44 A D - 0 0 34 3,-1.8 3,-0.4 -2,-0.4 155,-0.0 -0.764 62.9 -75.7-136.7-170.5 6.0 95.4 2.1 43 45 A S S S+ 0 0 84 1,-0.2 3,-0.1 -2,-0.2 154,-0.0 0.690 127.8 53.1 -67.6 -11.8 2.6 94.5 3.7 44 46 A T S S- 0 0 116 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.835 121.9 -30.8 -92.4 -38.7 1.1 93.8 0.3 45 47 A S - 0 0 31 -3,-0.4 -3,-1.8 -19,-0.0 -1,-0.3 -0.975 43.2-135.8-174.3 150.0 3.6 91.4 -1.1 46 48 A G - 0 0 10 -2,-0.3 2,-0.3 -5,-0.3 -17,-0.2 -0.163 30.1-129.5 -91.3-161.9 7.1 90.1 -1.3 47 49 A S E + E 0 182B 0 135,-1.2 135,-1.7 -2,-0.1 2,-0.3 -0.993 21.5 177.2-153.3 156.7 8.9 89.1 -4.4 48 50 A G E -BE 25 181B 0 -23,-2.2 -24,-3.0 -2,-0.3 -23,-2.1 -0.991 12.0-150.9-165.4 153.2 11.0 86.3 -5.9 49 51 A F E -BE 23 180B 0 131,-2.2 131,-1.8 -2,-0.3 2,-0.3 -0.856 7.9-158.1-126.7 159.5 12.7 85.2 -9.0 50 52 A K E -BE 22 179B 35 -28,-2.5 -28,-2.3 -2,-0.3 129,-0.2 -0.988 26.7-102.7-135.3 146.7 13.6 81.8 -10.6 51 53 A S E -B 21 0B 1 127,-2.8 -30,-0.3 -2,-0.3 -31,-0.0 -0.324 22.3-131.4 -60.1 147.0 16.2 80.5 -13.1 52 54 A I E S+ 0 0 45 -32,-2.2 2,-0.3 125,-0.0 -31,-0.1 0.707 89.5 58.0 -71.2 -17.7 15.0 79.8 -16.6 53 55 A N E S- 0 0 15 -33,-0.5 125,-0.5 125,-0.0 2,-0.4 -0.852 72.4-136.0-115.5 149.7 16.8 76.4 -16.3 54 56 A R E - E 0 177B 62 -2,-0.3 162,-1.9 123,-0.2 2,-0.3 -0.829 32.6-150.3 -86.0 144.6 16.7 73.3 -14.2 55 57 A Y E -FE 215 176B 13 121,-2.6 121,-2.2 -2,-0.4 160,-0.3 -0.856 28.3-165.2-123.6 149.3 20.1 72.1 -13.3 56 58 A R E S- 0 0 74 158,-2.9 2,-0.3 1,-0.4 159,-0.2 0.590 82.5 -15.3 -99.1 -10.8 21.8 68.7 -12.5 57 59 A S E S+F 214 0B 7 157,-1.1 157,-2.6 119,-0.1 -1,-0.4 -0.953 78.8 103.5 178.2 150.0 24.9 70.3 -11.0 58 60 A G E -FG 213 146B 0 88,-3.0 88,-2.7 -2,-0.3 2,-0.4 -0.903 56.4 -68.9 157.4-171.5 26.8 73.5 -10.7 59 61 A Y E -FG 212 145B 0 153,-0.7 153,-2.3 -2,-0.3 2,-0.5 -0.972 40.5-175.5-116.1 128.6 28.1 76.7 -9.1 60 62 A F E +FG 211 144B 1 84,-2.3 84,-2.4 -2,-0.4 2,-0.3 -0.957 12.6 160.4-133.0 111.6 25.5 79.3 -8.5 61 63 A G E +FG 210 143B 0 149,-2.4 149,-2.6 -2,-0.5 2,-0.3 -0.845 15.7 178.1-132.5 169.6 26.4 82.8 -7.2 62 64 A A E - G 0 142B 0 80,-2.0 80,-2.4 -2,-0.3 2,-0.4 -0.959 32.8-117.3-159.5 147.3 25.4 86.4 -6.8 63 65 A N E -FG 207 141B 28 144,-3.1 144,-2.4 -2,-0.3 2,-0.4 -0.808 42.2-171.7 -82.2 132.2 26.5 89.6 -5.3 64 66 A I E -FG 206 140B 0 76,-2.4 76,-1.8 -2,-0.4 2,-0.4 -0.997 18.6-167.0-137.5 135.0 24.0 90.5 -2.7 65 67 A K E -F 205 0B 68 140,-2.3 140,-1.9 -2,-0.4 71,-0.2 -0.987 20.5-140.4-122.2 133.3 23.5 93.6 -0.6 66 68 A L - 0 0 6 69,-2.2 138,-0.1 -2,-0.4 2,-0.1 -0.563 22.5 -94.0-100.9 151.9 21.0 93.6 2.4 67 69 A Q - 0 0 49 136,-0.4 2,-0.2 -2,-0.2 -1,-0.1 -0.381 40.3-127.4 -61.0 138.0 18.6 96.1 3.8 68 70 A S + 0 0 59 68,-0.1 2,-0.2 -2,-0.1 135,-0.1 -0.505 63.5 5.0 -85.7 155.3 19.8 98.4 6.6 69 71 A G S S+ 0 0 42 -2,-0.2 2,-0.5 32,-0.1 31,-0.3 -0.454 111.6 19.3 82.1-147.0 18.0 98.9 9.9 70 72 A Y + 0 0 35 -2,-0.2 31,-0.2 1,-0.2 -2,-0.1 -0.526 61.8 144.9 -72.3 112.0 15.1 97.1 11.4 71 73 A T > + 0 0 0 29,-2.9 3,-2.3 -2,-0.5 28,-0.2 0.091 16.3 152.8-133.0 16.6 14.6 93.8 9.5 72 74 A A T 3 S+ 0 0 0 28,-0.6 124,-0.5 1,-0.3 28,-0.2 -0.217 71.8 16.2 -52.4 135.8 13.4 91.5 12.2 73 75 A G T 3 S+ 0 0 8 26,-0.7 112,-3.3 120,-0.3 2,-0.4 0.417 100.3 116.5 82.8 -1.5 11.3 88.7 10.8 74 76 A V E < -H 184 0B 2 -3,-2.3 25,-2.0 110,-0.2 2,-0.5 -0.862 46.2-159.9-110.3 138.8 12.4 89.2 7.2 75 77 A I E -HI 183 98B 10 108,-2.8 108,-2.6 -2,-0.4 2,-0.4 -0.928 7.0-167.1-116.2 130.5 14.3 86.7 5.1 76 78 A T E -HI 182 97B 2 21,-1.8 21,-3.1 -2,-0.5 2,-0.3 -0.966 27.2-170.9-110.1 133.3 16.4 87.5 2.0 77 79 A S E -HI 181 96B 0 104,-3.0 104,-0.9 -2,-0.4 2,-0.3 -0.846 33.5-177.0-134.7 153.9 17.2 84.2 0.2 78 80 A F E +HI 180 95B 0 17,-2.3 17,-2.1 -2,-0.3 2,-0.3 -0.884 39.7 139.3-148.0 122.3 19.2 82.7 -2.5 79 81 A Y E -HI 179 94B 32 100,-2.6 100,-4.0 -2,-0.3 2,-0.4 -0.958 49.1-118.0-163.2 163.4 18.6 78.9 -3.0 80 82 A L E +HI 178 93B 2 13,-2.3 13,-2.0 -2,-0.3 2,-0.3 -0.904 42.0 155.4-114.8 142.1 18.0 75.8 -5.1 81 83 A S E -HI 177 92B 3 96,-2.2 96,-2.7 -2,-0.4 11,-0.2 -0.973 40.1-162.0-163.0 151.6 14.7 73.9 -4.9 82 84 A N >> + 0 0 0 9,-1.7 4,-2.0 -2,-0.3 3,-1.4 -0.087 54.1 123.8-126.4 30.4 12.4 71.6 -6.8 83 85 A N T 34 S+ 0 0 64 8,-0.3 6,-0.2 1,-0.3 9,-0.1 0.850 73.3 57.5 -55.8 -36.0 9.3 72.3 -4.6 84 86 A Q T 34 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.727 111.9 41.3 -70.2 -16.8 7.4 73.3 -7.8 85 87 A D T <4 S+ 0 0 60 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.745 133.0 20.7 -93.6 -29.6 8.2 69.8 -9.3 86 88 A Y S >< S- 0 0 80 -4,-2.0 3,-2.4 5,-0.1 -1,-0.2 -0.633 86.2-152.9-140.7 65.7 7.5 67.8 -6.1 87 89 A P T 3 S- 0 0 91 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.252 78.2 -3.2 -61.7 127.6 5.4 70.0 -3.9 88 90 A G T 3 S+ 0 0 40 1,-0.1 29,-0.1 -2,-0.0 -5,-0.1 0.346 128.9 69.2 74.9 -5.4 5.8 69.2 -0.2 89 91 A K S < S+ 0 0 156 -3,-2.4 26,-0.2 -6,-0.2 2,-0.1 -0.222 81.3 127.9-133.5 46.0 8.2 66.3 -1.1 90 92 A H - 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