==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-AUG-10 3OEA . COMPND 2 MOLECULE: S-LAYER ASSOCIATED MULTIDOMAIN ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CALDANAEROBIUS POLYSACCHAROLYTICUS; . AUTHOR V.AGARWAL,S.K.NAIR . 292 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 65.1 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 . 119 40.8 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 . 0 0.0 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 . 39 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.5 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 . 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 . 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 . 2 3 3 2 0 4 0 6 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 . 0 0 0 3 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 -1 A S 0 0 81 0, 0.0 151,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 154.0 -18.0 1.0 -41.7 2 0 A H E -A 151 0A 131 149,-0.2 2,-0.4 147,-0.0 149,-0.2 -0.905 360.0-156.7-101.5 109.0 -19.5 3.9 -39.7 3 1 A M E -A 150 0A 21 147,-2.9 147,-2.8 -2,-0.7 2,-0.1 -0.745 23.2-108.9 -92.6 132.4 -19.7 2.9 -36.0 4 2 A V E -A 149 0A 89 -2,-0.4 2,-0.6 145,-0.2 141,-0.4 -0.346 22.3-139.0 -62.7 125.4 -22.3 4.6 -33.8 5 3 A N - 0 0 16 143,-2.2 139,-0.2 1,-0.1 -1,-0.1 -0.810 9.2-160.0 -83.0 120.4 -20.8 7.0 -31.3 6 4 A M + 0 0 77 137,-3.0 2,-0.4 -2,-0.6 -1,-0.1 0.564 61.9 100.5 -79.7 -11.7 -22.8 6.5 -28.1 7 5 A V S S- 0 0 7 136,-0.3 2,-0.3 134,-0.1 -2,-0.1 -0.626 72.6-132.2 -78.5 128.9 -21.8 9.9 -26.6 8 6 A S S S+ 0 0 60 -2,-0.4 4,-0.1 1,-0.3 -2,-0.1 -0.668 88.4 1.5 -82.4 137.8 -24.4 12.6 -27.0 9 7 A N S > S+ 0 0 15 -2,-0.3 3,-1.3 1,-0.1 -1,-0.3 0.942 82.7 175.7 49.1 55.9 -23.1 15.9 -28.4 10 8 A P T 3 S+ 0 0 22 0, 0.0 131,-2.4 0, 0.0 -1,-0.1 0.682 73.0 37.9 -70.3 -20.5 -19.7 14.3 -28.7 11 9 A G T 3 S- 0 0 5 129,-0.2 27,-0.3 128,-0.2 24,-0.2 0.208 106.1-118.9-114.4 11.9 -18.0 17.3 -30.4 12 10 A F S X S+ 0 0 0 -3,-1.3 3,-1.5 5,-0.1 27,-0.1 0.686 72.4 135.1 57.8 23.1 -19.7 20.0 -28.4 13 11 A E T 3 S+ 0 0 82 1,-0.3 -1,-0.1 25,-0.1 3,-0.1 0.712 73.7 51.7 -73.9 -20.0 -21.2 21.3 -31.7 14 12 A D T > S- 0 0 109 1,-0.4 3,-1.8 3,-0.2 -1,-0.3 -0.097 115.1-126.8 -99.4 29.3 -24.5 21.6 -29.8 15 13 A G T < S- 0 0 17 -3,-1.5 -1,-0.4 1,-0.3 14,-0.1 -0.423 72.6 -18.3 67.4-127.1 -22.7 23.6 -27.1 16 14 A L T > S+ 0 0 57 -2,-0.2 3,-2.0 -3,-0.1 -1,-0.3 0.331 94.3 140.7 -96.4 6.8 -23.2 22.2 -23.6 17 15 A D T < S+ 0 0 101 -3,-1.8 -3,-0.2 1,-0.3 -5,-0.1 -0.214 73.8 8.1 -51.6 133.4 -26.3 20.2 -24.6 18 16 A S T 3 S+ 0 0 70 1,-0.2 2,-0.5 34,-0.0 -1,-0.3 0.413 104.1 110.1 74.1 1.5 -26.4 16.7 -23.0 19 17 A W < - 0 0 11 -3,-2.0 2,-0.3 33,-0.1 33,-0.2 -0.938 65.0-135.1-110.8 123.4 -23.4 17.4 -20.7 20 18 A Q E -G 51 0B 126 31,-3.1 31,-1.2 -2,-0.5 2,-0.7 -0.569 15.1-142.8 -73.0 135.2 -23.9 17.8 -16.9 21 19 A D E +G 50 0B 41 -2,-0.3 29,-0.2 29,-0.2 -1,-0.0 -0.885 23.2 176.0-106.6 104.4 -22.0 20.8 -15.6 22 20 A W S S+ 0 0 88 27,-1.6 -1,-0.2 -2,-0.7 28,-0.2 0.821 76.7 21.6 -84.6 -33.6 -20.6 19.8 -12.2 23 21 A Q S S- 0 0 78 26,-0.8 -1,-0.2 0, 0.0 27,-0.1 0.344 97.5-118.3-118.7 3.2 -18.5 22.8 -11.2 24 22 A Q S S+ 0 0 151 25,-0.2 26,-0.1 1,-0.1 -3,-0.0 0.781 87.1 107.7 60.1 30.9 -19.9 25.6 -13.4 25 23 A D + 0 0 68 24,-0.2 18,-2.4 18,-0.1 2,-0.4 -0.048 48.2 107.5-125.9 32.4 -16.6 26.1 -15.1 26 24 A M E +K 42 0C 15 16,-0.2 2,-0.3 23,-0.1 16,-0.2 -0.866 37.6 168.3-107.6 143.3 -17.4 24.6 -18.5 27 25 A S E -K 41 0C 45 14,-1.8 14,-3.1 -2,-0.4 2,-0.7 -0.979 34.1-129.6-151.5 144.1 -18.0 26.5 -21.7 28 26 A A E +K 40 0C 29 -2,-0.3 12,-0.2 12,-0.2 -12,-0.1 -0.870 46.7 160.3 -93.5 114.4 -18.3 25.6 -25.4 29 27 A V E > -K 39 0C 28 10,-2.1 10,-1.8 -2,-0.7 3,-0.9 -0.943 51.0-118.4-139.8 153.4 -15.8 27.9 -27.2 30 28 A P G > S+ 0 0 99 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.868 108.3 62.1 -60.7 -38.7 -14.0 28.0 -30.6 31 29 A E G 3 S+ 0 0 103 1,-0.3 9,-0.1 8,-0.1 7,-0.1 0.730 101.7 53.7 -63.0 -22.0 -10.4 27.9 -29.1 32 30 A A G < S+ 0 0 0 -3,-0.9 2,-0.5 7,-0.3 8,-0.4 0.384 84.3 114.7 -92.2 2.1 -11.2 24.5 -27.6 33 31 A A < + 0 0 25 -3,-2.0 6,-0.2 6,-0.3 3,-0.1 -0.634 28.8 166.4 -81.8 123.7 -12.2 23.0 -31.0 34 32 A H S S+ 0 0 58 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.662 83.0 18.2 -93.4 -29.0 -10.2 20.2 -32.5 35 33 A N S S- 0 0 51 3,-0.3 3,-0.4 -24,-0.2 -1,-0.3 -0.979 118.9 -2.5-138.5 150.4 -13.0 19.5 -35.0 36 34 A G S S- 0 0 67 -2,-0.3 -3,-0.1 1,-0.2 -24,-0.0 -0.301 106.1 -49.0 69.3-152.3 -16.0 21.6 -36.1 37 35 A A S S+ 0 0 65 1,-0.1 2,-0.3 -26,-0.0 -4,-0.2 0.679 114.3 32.3 -93.2 -21.9 -16.8 25.0 -34.6 38 36 A L - 0 0 40 -3,-0.4 -3,-0.3 -27,-0.3 -4,-0.3 -0.911 49.8-177.0-139.7 155.5 -16.6 24.3 -30.9 39 37 A G E -K 29 0C 0 -10,-1.8 -10,-2.1 -2,-0.3 2,-0.5 -0.901 39.6 -90.6-140.1 175.6 -14.9 22.4 -28.2 40 38 A L E -KL 28 138C 0 98,-2.9 98,-2.2 -8,-0.4 2,-0.5 -0.803 33.1-164.6 -93.1 125.8 -15.2 22.1 -24.4 41 39 A K E -KL 27 137C 48 -14,-3.1 -14,-1.8 -2,-0.5 2,-0.6 -0.945 2.3-166.1-105.1 124.6 -13.1 24.4 -22.2 42 40 A I E -KL 26 136C 0 94,-2.7 94,-2.5 -2,-0.5 -16,-0.2 -0.968 28.0-124.1-107.4 117.3 -12.8 23.5 -18.6 43 41 A G - 0 0 7 -18,-2.4 3,-0.4 -2,-0.6 92,-0.1 -0.284 22.8-126.1 -66.7 142.9 -11.4 26.6 -16.7 44 42 A G S S+ 0 0 21 89,-0.4 89,-0.2 1,-0.2 91,-0.1 -0.106 74.8 72.1 -79.4 177.4 -8.2 26.2 -14.6 45 43 A G S S+ 0 0 49 87,-2.9 2,-0.3 89,-0.2 -1,-0.2 0.142 102.1 27.5 103.8 -19.2 -7.5 27.1 -11.0 46 44 A K S S- 0 0 138 -3,-0.4 2,-0.1 84,-0.3 84,-0.1 -0.963 96.2 -76.9-162.2 160.2 -9.4 24.3 -9.4 47 45 A A + 0 0 31 -2,-0.3 2,-0.3 82,-0.2 82,-0.2 -0.397 61.7 155.3 -62.6 134.3 -10.7 20.8 -10.0 48 46 A A E + H 0 128B 1 80,-1.9 80,-2.5 82,-0.2 2,-0.3 -0.990 6.4 137.6-158.9 155.2 -13.7 20.8 -12.4 49 47 A G E - H 0 127B 1 -2,-0.3 -27,-1.6 78,-0.2 -26,-0.8 -0.969 24.6-140.3-174.1-168.1 -15.5 18.6 -14.9 50 48 A G E +GH 21 126B 0 76,-1.9 76,-3.4 -2,-0.3 2,-0.3 -0.928 17.3 170.6-159.5 178.5 -18.7 17.3 -16.3 51 49 A G E -GH 20 125B 0 -31,-1.2 -31,-3.1 -2,-0.3 2,-0.3 -0.981 20.4-125.1-175.0-176.0 -20.3 14.1 -17.7 52 50 A Q E - H 0 124B 12 72,-1.8 72,-3.1 -2,-0.3 2,-0.4 -0.988 27.0-111.1-151.0 150.7 -23.2 12.1 -19.0 53 51 A D E - H 0 123B 102 -2,-0.3 70,-0.2 70,-0.2 -2,-0.0 -0.687 31.8-177.8 -81.9 131.8 -24.9 8.8 -18.2 54 52 A I - 0 0 7 68,-2.5 2,-0.1 -2,-0.4 -47,-0.1 -0.866 20.1-140.6-135.1 100.6 -24.6 6.2 -20.9 55 53 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 66,-0.1 -0.365 26.8-162.1 -56.9 132.6 -26.3 2.8 -20.4 56 54 A L - 0 0 19 -2,-0.1 62,-0.1 4,-0.0 -2,-0.0 -0.832 18.7-108.4-121.0 158.0 -24.0 -0.0 -21.7 57 55 A K > - 0 0 106 -2,-0.3 3,-0.6 1,-0.1 57,-0.2 -0.564 39.3-110.5 -79.8 145.5 -24.5 -3.7 -22.7 58 56 A P T 3 S+ 0 0 63 0, 0.0 58,-0.2 0, 0.0 3,-0.1 -0.386 95.2 14.4 -72.3 157.1 -23.1 -6.4 -20.4 59 57 A N T 3 S+ 0 0 92 56,-1.9 2,-0.4 55,-0.2 57,-0.1 0.812 99.7 130.7 48.6 41.5 -20.1 -8.6 -21.4 60 58 A T < - 0 0 23 -3,-0.6 54,-2.5 55,-0.2 2,-0.4 -0.962 55.2-131.0-131.7 138.6 -19.3 -6.1 -24.2 61 59 A T E -M 113 0C 19 85,-0.4 85,-2.6 -2,-0.4 2,-0.3 -0.729 26.2-173.1 -90.3 136.3 -16.1 -4.4 -25.3 62 60 A Y E -MN 112 145C 2 50,-2.6 50,-2.0 -2,-0.4 2,-0.5 -0.952 22.2-132.8-127.6 146.7 -16.1 -0.6 -26.0 63 61 A I E -MN 111 144C 4 81,-2.9 81,-2.2 -2,-0.3 2,-0.5 -0.895 21.4-168.1 -93.6 125.5 -13.6 1.9 -27.4 64 62 A L E +MN 110 143C 0 46,-2.9 46,-2.4 -2,-0.5 2,-0.3 -0.980 21.0 154.8-112.4 124.9 -13.3 5.0 -25.3 65 63 A G E +MN 109 142C 0 77,-2.2 77,-3.1 -2,-0.5 2,-0.3 -0.957 15.0 169.2-146.7 161.5 -11.4 7.9 -26.9 66 64 A A E -M 108 0C 0 42,-1.9 42,-2.0 -2,-0.3 2,-0.4 -0.964 30.4-123.4-165.2 155.5 -10.9 11.7 -26.9 67 65 A W E +MN 107 139C 16 72,-2.3 72,-2.3 -2,-0.3 2,-0.3 -0.898 44.3 159.7 -95.7 134.7 -8.9 14.6 -28.2 68 66 A A E +MN 106 138C 0 38,-2.3 38,-1.9 -2,-0.4 2,-0.3 -0.994 17.0 169.4-152.6 157.6 -7.5 16.9 -25.4 69 67 A K E - N 0 137C 47 68,-2.2 68,-3.2 -2,-0.3 2,-0.3 -0.938 27.5-129.8-160.9 149.0 -4.9 19.4 -24.5 70 68 A F E - N 0 136C 0 32,-2.8 66,-0.2 -2,-0.3 3,-0.1 -0.781 20.4-136.2 -91.0 146.4 -4.0 21.9 -21.8 71 69 A D S S+ 0 0 65 64,-2.5 2,-0.3 -2,-0.3 65,-0.1 0.494 90.0 13.4 -83.1 -3.1 -3.2 25.5 -23.0 72 70 A S S S- 0 0 73 63,-0.4 -1,-0.0 30,-0.1 32,-0.0 -0.942 109.1 -63.1-158.9 166.9 -0.2 25.6 -20.6 73 71 A K - 0 0 171 -2,-0.3 61,-0.2 30,-0.1 60,-0.2 -0.368 55.2-146.9 -63.4 118.7 1.7 23.0 -18.6 74 72 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.379 14.5-143.3 -80.0 163.8 -0.5 21.4 -16.0 75 73 A A S S+ 0 0 88 -2,-0.1 55,-0.0 2,-0.1 -2,-0.0 0.838 88.2 6.7 -85.3 -43.8 0.5 20.1 -12.6 76 74 A G S S- 0 0 29 1,-0.1 2,-0.3 52,-0.0 52,-0.0 0.179 92.8 -79.1-110.9-133.8 -1.8 17.1 -12.7 77 75 A T - 0 0 41 50,-0.0 53,-1.7 -2,-0.0 52,-0.5 -0.860 12.0-128.9-136.5 165.9 -4.1 15.6 -15.4 78 76 A F E -IJ 100 128B 0 22,-2.8 22,-2.5 -2,-0.3 2,-0.4 -0.993 35.2-157.3-112.1 129.8 -7.3 15.7 -17.3 79 77 A D E -IJ 99 127B 26 48,-3.0 48,-2.9 -2,-0.4 2,-0.5 -0.901 17.2-159.3-117.8 133.6 -9.1 12.4 -17.3 80 78 A V E +IJ 98 126B 0 18,-2.1 18,-2.8 -2,-0.4 2,-0.4 -0.962 32.3 178.6-106.4 123.3 -11.6 10.8 -19.6 81 79 A V E -IJ 97 125B 6 44,-2.7 44,-2.7 -2,-0.5 2,-0.5 -0.965 36.2-160.0-135.4 138.6 -13.4 8.0 -17.7 82 80 A V E +IJ 96 124B 2 14,-1.8 14,-2.9 -2,-0.4 2,-0.4 -0.994 34.4 177.0-108.6 126.9 -16.1 5.4 -18.0 83 81 A Q E +IJ 95 123B 18 40,-2.2 40,-2.5 -2,-0.5 2,-0.3 -0.981 13.5 149.6-137.5 143.3 -17.1 4.4 -14.5 84 82 A Y E -I 94 0B 3 10,-1.9 10,-2.7 -2,-0.4 2,-0.2 -0.968 37.8-110.6-162.2 157.3 -19.7 2.1 -12.9 85 83 A H E -I 93 0B 48 -2,-0.3 34,-3.2 8,-0.2 35,-0.9 -0.645 27.9-126.2 -90.2 152.6 -20.1 -0.0 -9.7 86 84 A L B -O 118 0D 49 6,-2.4 2,-1.3 -2,-0.2 32,-0.2 -0.578 26.1-111.6 -86.4 160.7 -20.2 -3.8 -9.7 87 85 A K S S+ 0 0 162 30,-0.5 2,-0.3 -2,-0.2 31,-0.0 -0.557 77.1 115.3 -92.1 67.7 -23.1 -5.7 -8.1 88 86 A D S > S- 0 0 67 -2,-1.3 3,-1.2 4,-0.1 -2,-0.0 -0.803 81.5 -99.4-128.9 173.3 -21.1 -7.1 -5.2 89 87 A A T 3 S+ 0 0 108 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.798 121.0 51.5 -62.4 -31.5 -20.9 -6.8 -1.4 90 88 A N T 3 S- 0 0 143 2,-0.0 -1,-0.3 1,-0.0 3,-0.2 0.491 102.3-129.9 -85.8 -4.8 -18.0 -4.3 -1.6 91 89 A N < - 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