==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-MAY-01 1J83 . COMPND 2 MOLECULE: ENDO-1,4-BETA GLUCANASE ENGF; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOVORANS; . AUTHOR V.NOTENBOOM,A.B.BORASTON,P.CHIU,A.C.J.FREELOVE,D.G.KILBURN, . 360 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 32.8 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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-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 . 31 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 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 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 6 2 4 2 2 0 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 3 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 1027 A Q 0 0 163 0, 0.0 19,-0.1 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 37.1 64.7 -7.8 28.8 2 1028 A P - 0 0 58 0, 0.0 2,-0.4 0, 0.0 22,-0.1 -0.355 360.0-150.5 -70.0 154.2 65.6 -5.9 25.6 3 1029 A T - 0 0 61 20,-0.4 19,-2.5 -2,-0.0 17,-0.4 -0.990 14.2-120.4-129.2 133.9 68.4 -7.2 23.4 4 1030 A A - 0 0 51 -2,-0.4 17,-0.3 17,-0.2 68,-0.2 -0.280 43.2 -96.2 -63.8 154.8 70.7 -5.2 21.2 5 1031 A P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.270 27.3-167.7 -71.9 163.8 70.6 -6.2 17.5 6 1032 A K S S+ 0 0 131 1,-0.3 300,-2.1 299,-0.1 2,-0.4 0.575 79.8 27.8-118.2 -30.2 73.2 -8.6 16.0 7 1033 A D B +a 306 0A 57 298,-0.3 -1,-0.3 1,-0.1 9,-0.2 -0.945 50.8 156.6-141.0 113.9 72.4 -8.0 12.3 8 1034 A F > + 0 0 4 298,-2.4 3,-1.6 -2,-0.4 300,-0.3 -0.089 35.0 127.0-124.4 31.3 71.0 -4.8 10.9 9 1035 A S T 3 + 0 0 56 1,-0.3 298,-0.1 298,-0.2 -1,-0.1 0.644 63.5 65.9 -64.9 -17.2 72.3 -5.4 7.4 10 1036 A S T 3 S- 0 0 45 2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.666 105.0-125.9 -80.2 -16.5 68.8 -4.9 5.9 11 1037 A G S < S+ 0 0 23 -3,-1.6 2,-0.3 1,-0.2 -2,-0.1 0.571 82.5 61.1 83.3 7.4 68.8 -1.2 7.0 12 1038 A F S S- 0 0 42 165,-0.1 2,-1.0 64,-0.0 -2,-0.3 -0.959 100.5 -76.0-154.9 167.4 65.5 -1.5 8.8 13 1039 A W B +G 176 0B 0 163,-2.0 163,-1.7 -2,-0.3 162,-0.3 -0.587 56.5 148.3 -75.2 101.9 64.0 -3.5 11.7 14 1040 A D - 0 0 16 -2,-1.0 -1,-0.2 161,-0.2 -6,-0.1 0.507 42.6-146.5-108.5 -8.3 63.4 -7.0 10.5 15 1041 A F > + 0 0 0 1,-0.2 3,-0.9 -3,-0.1 26,-0.1 0.712 55.1 133.7 51.7 23.4 64.0 -8.8 13.8 16 1042 A N T 3 + 0 0 86 1,-0.2 -1,-0.2 -9,-0.2 26,-0.1 0.426 55.9 71.2 -84.1 4.0 65.4 -11.8 12.0 17 1043 A D T 3 S- 0 0 27 2,-0.2 -1,-0.2 -10,-0.2 3,-0.1 0.248 112.4-108.6-101.8 12.8 68.4 -12.0 14.3 18 1044 A G S < S+ 0 0 46 -3,-0.9 20,-0.3 1,-0.3 2,-0.2 0.483 85.4 105.7 76.8 3.4 66.4 -13.2 17.3 19 1045 A T S S- 0 0 4 18,-0.1 -1,-0.3 1,-0.1 -2,-0.2 -0.569 83.0-117.7-109.8 173.9 66.7 -10.0 19.2 20 1046 A T > - 0 0 3 -17,-0.4 3,-2.3 -2,-0.2 -16,-0.1 0.350 49.6-130.1 -88.3 6.4 64.3 -7.1 20.0 21 1047 A Q T 3 S- 0 0 0 -17,-0.3 -17,-0.2 1,-0.3 51,-0.1 0.831 72.3 -41.2 45.4 42.4 66.9 -5.1 18.0 22 1048 A G T 3 S+ 0 0 2 -19,-2.5 49,-1.7 1,-0.3 50,-0.3 0.132 106.1 131.6 99.5 -18.7 67.1 -2.5 20.7 23 1049 A F < + 0 0 0 -3,-2.3 -20,-0.4 46,-0.3 -1,-0.3 -0.428 17.5 134.5 -77.0 142.0 63.4 -2.2 21.6 24 1050 A G E -H 68 0C 8 44,-1.7 44,-2.5 -2,-0.2 46,-0.2 -0.943 63.3 -56.8-166.1 172.3 62.1 -2.3 25.1 25 1051 A V E -H 67 0C 47 -2,-0.3 42,-0.3 42,-0.2 7,-0.1 -0.421 63.4-113.4 -63.5 135.6 59.6 -0.4 27.2 26 1052 A N > - 0 0 12 40,-3.2 3,-2.0 136,-0.2 40,-0.2 -0.445 14.4-125.7 -71.8 141.4 60.5 3.3 27.3 27 1053 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.754 112.0 48.1 -58.6 -25.1 61.6 4.7 30.7 28 1054 A D T 3 S+ 0 0 117 3,-0.0 -2,-0.1 2,-0.0 -3,-0.0 0.270 81.8 129.4 -99.9 10.8 59.0 7.4 30.4 29 1055 A S < - 0 0 12 -3,-2.0 36,-0.1 37,-0.2 34,-0.1 -0.436 56.1-144.1 -68.0 136.8 56.1 5.1 29.5 30 1056 A P S S+ 0 0 78 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.624 91.3 49.8 -75.3 -12.5 53.0 5.6 31.6 31 1057 A I + 0 0 27 33,-0.2 35,-0.5 1,-0.1 3,-0.1 -0.996 58.6 167.8-128.4 130.5 52.4 1.8 31.4 32 1058 A T + 0 0 108 -2,-0.4 2,-1.5 1,-0.1 -7,-0.1 0.657 55.0 86.7-117.3 -22.0 55.2 -0.7 32.3 33 1059 A A + 0 0 51 18,-0.1 2,-0.5 14,-0.1 -1,-0.1 -0.126 63.8 118.1 -77.4 43.3 53.7 -4.2 32.6 34 1060 A I - 0 0 11 -2,-1.5 2,-0.4 -3,-0.1 -9,-0.2 -0.930 59.7-136.2-112.7 130.3 54.0 -4.8 28.9 35 1061 A N E -M 46 0D 50 11,-1.4 11,-2.1 -2,-0.5 2,-0.5 -0.702 18.6-173.6 -88.5 135.9 56.2 -7.7 27.6 36 1062 A V E +M 45 0D 9 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.973 23.1 141.3-130.0 115.2 58.4 -7.0 24.6 37 1063 A E E -M 44 0D 62 7,-2.3 7,-2.7 -2,-0.5 2,-0.6 -0.938 53.1-101.0-147.8 167.1 60.2 -9.9 23.1 38 1064 A N E +M 43 0D 33 -2,-0.3 2,-0.4 -20,-0.3 5,-0.2 -0.849 42.1 172.4 -95.2 122.8 61.4 -11.5 19.8 39 1065 A A E > -M 42 0D 20 3,-2.3 3,-0.7 -2,-0.6 -2,-0.0 -0.992 66.9 -15.8-133.6 123.8 59.1 -14.3 18.8 40 1066 A N T 3 S- 0 0 164 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.891 127.6 -51.4 49.9 50.1 59.3 -16.1 15.5 41 1067 A N T 3 S+ 0 0 76 1,-0.2 2,-0.3 -26,-0.1 -1,-0.2 0.794 121.7 90.6 60.0 34.7 61.5 -13.3 13.9 42 1068 A A E < S-M 39 0D 9 -3,-0.7 -3,-2.3 132,-0.1 2,-0.9 -0.941 85.0 -98.6-148.3 166.2 59.1 -10.5 14.9 43 1069 A L E -MN 38 173D 0 130,-2.8 130,-2.2 -2,-0.3 2,-0.5 -0.801 38.7-159.7 -94.5 103.2 58.6 -8.1 17.8 44 1070 A K E -MN 37 172D 58 -7,-2.7 -7,-2.3 -2,-0.9 2,-0.6 -0.714 6.4-168.5 -87.6 126.2 55.9 -9.6 20.0 45 1071 A I E -MN 36 171D 1 126,-2.9 126,-1.6 -2,-0.5 2,-0.3 -0.963 14.8-165.1-116.8 113.1 54.2 -7.1 22.3 46 1072 A S E +MN 35 170D 15 -11,-2.1 -11,-1.4 -2,-0.6 124,-0.2 -0.745 53.0 15.9-108.9 151.5 52.0 -8.8 24.9 47 1073 A N > + 0 0 67 122,-2.1 4,-1.9 -2,-0.3 6,-0.3 0.645 65.7 141.2 70.8 23.6 49.3 -7.8 27.3 48 1074 A L T 4>S+ 0 0 0 120,-0.4 5,-2.9 -3,-0.3 121,-0.2 0.916 76.1 42.3 -59.5 -45.5 48.4 -4.4 25.9 49 1075 A N T >45S+ 0 0 61 119,-0.6 3,-1.7 3,-0.2 -1,-0.2 0.950 114.1 49.5 -68.6 -48.9 44.7 -4.8 26.4 50 1076 A S T 345S+ 0 0 77 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.803 112.1 49.6 -59.6 -32.5 44.9 -6.3 29.9 51 1077 A K T 3<5S- 0 0 103 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.333 119.7-107.2 -90.6 6.6 47.3 -3.5 31.1 52 1078 A G T < 5S+ 0 0 36 -3,-1.7 2,-1.2 1,-0.1 -3,-0.2 0.641 79.3 131.8 79.7 13.9 45.1 -0.7 29.7 53 1079 A S < + 0 0 0 -5,-2.9 113,-1.8 -6,-0.3 -1,-0.1 -0.464 39.2 110.2 -94.2 61.3 47.3 0.2 26.8 54 1080 A N + 0 0 67 -2,-1.2 2,-0.5 111,-0.3 -1,-0.2 0.017 27.4 134.7-126.6 27.3 44.2 0.1 24.6 55 1081 A D + 0 0 37 -3,-0.2 42,-0.1 1,-0.1 9,-0.1 -0.700 25.1 179.2 -80.5 125.6 43.5 3.7 23.6 56 1082 A L + 0 0 38 -2,-0.5 -1,-0.1 40,-0.1 2,-0.1 0.128 37.2 118.1-113.8 18.8 42.7 3.7 19.8 57 1083 A S S S- 0 0 44 1,-0.1 58,-0.1 3,-0.1 4,-0.1 -0.384 70.1-121.7 -82.9 163.8 42.0 7.4 19.3 58 1084 A E S S+ 0 0 99 1,-0.2 57,-1.9 56,-0.1 3,-0.3 0.869 107.6 30.8 -72.7 -36.6 44.0 9.6 17.0 59 1085 A G S S+ 0 0 48 55,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.621 108.7 61.8-101.9 -11.9 44.9 12.1 19.7 60 1086 A N > + 0 0 72 1,-0.2 3,-2.1 2,-0.1 4,-0.2 -0.004 55.0 120.4-106.5 32.5 45.1 10.2 23.0 61 1087 A F G > + 0 0 2 1,-0.3 3,-2.4 -3,-0.3 -1,-0.2 0.728 60.3 84.4 -62.3 -19.5 48.0 7.7 22.2 62 1088 A W G 3 S+ 0 0 87 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.707 80.8 62.1 -55.6 -20.7 49.6 9.5 25.2 63 1089 A A G < S+ 0 0 42 -3,-2.1 -1,-0.3 -34,-0.1 -2,-0.2 0.633 93.4 85.0 -82.0 -13.3 47.7 7.0 27.3 64 1090 A N S < S- 0 0 0 -3,-2.4 -33,-0.2 -4,-0.2 101,-0.2 -0.337 90.3 -81.9 -90.2 169.2 49.4 4.0 25.8 65 1091 A V E - I 0 164C 0 99,-0.8 99,-1.9 -35,-0.1 2,-0.5 -0.269 39.4-138.0 -62.8 151.0 52.7 2.2 26.5 66 1092 A R E - I 0 163C 41 -35,-0.5 -40,-3.2 -40,-0.2 2,-0.4 -0.966 18.6-172.8-115.1 130.1 55.8 3.7 25.0 67 1093 A I E +HI 25 162C 2 95,-2.9 95,-3.2 -2,-0.5 2,-0.3 -0.990 9.6 178.0-123.8 130.6 58.4 1.4 23.4 68 1094 A S E -HI 24 161C 1 -44,-2.5 -44,-1.7 -2,-0.4 2,-1.0 -0.941 38.8-120.1-136.0 158.1 61.7 2.7 22.2 69 1095 A A > + 0 0 1 91,-1.5 3,-1.7 -2,-0.3 4,-0.5 -0.359 49.3 152.5 -91.5 54.6 65.0 1.4 20.7 70 1096 A D T 3 S+ 0 0 78 -2,-1.0 -1,-0.2 1,-0.3 -47,-0.1 0.738 76.4 34.3 -57.5 -29.3 67.2 2.6 23.5 71 1097 A I T 3 S+ 0 0 77 -49,-1.7 -1,-0.3 -3,-0.2 -49,-0.2 0.024 85.5 105.3-117.9 29.7 69.9 -0.1 23.0 72 1098 A W < - 0 0 2 -3,-1.7 -2,-0.1 -50,-0.3 -1,-0.1 0.957 52.9-173.9 -69.3 -52.9 69.6 -0.3 19.2 73 1099 A G + 0 0 42 -4,-0.5 2,-0.2 85,-0.3 -1,-0.1 0.548 45.5 98.5 70.4 7.9 72.8 1.5 18.7 74 1100 A Q - 0 0 14 84,-0.1 2,-0.3 233,-0.0 -1,-0.2 -0.434 59.5-136.0-112.5-170.8 72.5 1.8 14.9 75 1101 A S - 0 0 66 -2,-0.2 2,-0.4 -3,-0.1 83,-0.2 -0.998 6.9-156.1-152.1 153.4 71.4 4.5 12.5 76 1102 A I E -J 157 0C 20 81,-1.7 81,-2.8 -2,-0.3 2,-0.7 -0.991 17.1-139.7-133.5 123.2 69.2 5.1 9.5 77 1103 A N E +J 156 0C 108 -2,-0.4 79,-0.2 79,-0.2 72,-0.1 -0.735 26.2 173.0 -81.0 116.7 69.6 8.0 7.1 78 1104 A I > + 0 0 0 77,-3.0 3,-2.5 -2,-0.7 -1,-0.1 0.106 16.8 148.5-113.7 22.1 66.0 9.0 6.2 79 1105 A Y T 3 S+ 0 0 128 1,-0.3 71,-0.2 76,-0.3 70,-0.1 -0.365 77.0 12.5 -58.5 129.2 66.7 12.2 4.2 80 1106 A G T 3 S+ 0 0 33 69,-2.7 -1,-0.3 1,-0.3 2,-0.1 0.350 96.4 131.1 86.3 -7.4 63.9 12.4 1.6 81 1107 A D < + 0 0 27 -3,-2.5 -1,-0.3 68,-0.1 99,-0.3 -0.420 30.9 178.2 -77.6 156.2 61.7 9.8 3.2 82 1108 A T + 0 0 60 97,-2.2 57,-1.6 1,-0.2 2,-0.4 0.399 58.4 61.5-134.0 -6.1 58.0 10.4 3.9 83 1109 A K E -OP 138 179D 82 96,-2.4 96,-2.4 55,-0.2 2,-0.5 -0.966 47.4-166.5-134.2 146.2 56.8 7.1 5.3 84 1110 A L E +OP 137 178D 0 53,-2.6 53,-3.1 -2,-0.4 2,-0.3 -0.979 30.6 179.9-122.8 108.2 57.4 4.8 8.3 85 1111 A T E +OP 136 177D 25 92,-2.8 92,-2.7 -2,-0.5 2,-0.3 -0.809 8.7 166.4-115.4 157.0 55.8 1.5 7.5 86 1112 A X E -O 135 0D 1 49,-1.7 49,-2.7 -2,-0.3 2,-0.4 -0.988 34.4-111.9-162.3 156.6 55.5 -1.8 9.4 87 1113 A D E -OP 134 174D 28 87,-3.1 87,-1.9 -2,-0.3 2,-0.5 -0.775 23.7-157.1 -93.7 138.6 53.6 -5.1 9.5 88 1114 A V E -OP 133 173D 0 45,-2.8 45,-2.3 -2,-0.4 2,-0.3 -0.984 17.0-171.3-115.8 122.4 51.2 -5.7 12.3 89 1115 A I E +OP 132 172D 33 83,-3.3 83,-2.3 -2,-0.5 43,-0.2 -0.902 12.7 159.2-120.1 146.9 50.6 -9.4 13.0 90 1116 A A E -O 131 0D 3 41,-2.2 41,-3.2 -2,-0.3 81,-0.1 -0.984 49.9-112.6-157.8 159.6 48.2 -11.2 15.2 91 1117 A P S S+ 0 0 69 0, 0.0 80,-0.1 0, 0.0 41,-0.1 0.688 106.2 12.4 -70.4 -15.6 46.6 -14.6 15.6 92 1118 A T S S- 0 0 76 39,-0.1 39,-0.2 38,-0.1 38,-0.0 -0.946 106.0 -69.6-150.6 163.6 43.2 -13.0 14.7 93 1119 A P + 0 0 37 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.363 62.7 173.6 -59.6 140.3 42.1 -9.7 13.3 94 1120 A V - 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