==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 12-NOV-01 1IS4 . COMPND 2 MOLECULE: CONGERIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: CONGER MYRIASTER; . AUTHOR T.SHIRAI,Y.MATSUI,C.SHIONYU-MITSUYAMA,T.YAMANE,H.KAMIYA,C.IS . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 68.7 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 . 70 52.2 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 . 3 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 . 11 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 1 1 1 1 1 4 1 1 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 1 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 2 A D 0 0 174 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-134.4 22.2 33.3 36.8 2 3 A R - 0 0 91 1,-0.1 2,-0.5 125,-0.0 121,-0.1 -0.469 360.0 -90.8 -95.1 171.1 21.1 30.3 34.7 3 4 A A E -A 122 0A 34 119,-0.7 119,-2.1 -2,-0.2 2,-0.3 -0.727 56.3-179.3 -84.7 123.3 19.5 27.2 36.1 4 5 A E E -A 121 0A 65 -2,-0.5 2,-0.5 117,-0.2 117,-0.2 -0.973 32.1-167.8-130.2 146.5 22.3 24.7 37.0 5 6 A V E -A 120 0A 25 115,-2.4 115,-2.1 -2,-0.3 2,-0.4 -0.993 31.9-177.6-126.0 116.3 22.8 21.2 38.4 6 7 A R E +A 119 0A 112 -2,-0.5 113,-0.2 113,-0.2 112,-0.1 -0.974 50.8 1.4-131.0 135.4 26.5 20.8 39.1 7 8 A N E S+ 0 0 115 111,-2.8 -1,-0.1 -2,-0.4 112,-0.1 0.696 86.1 114.3 62.5 30.7 28.6 18.0 40.5 8 9 A I E S- 0 0 100 110,-0.2 -1,-0.2 109,-0.1 109,-0.1 -0.923 76.9-123.4-120.4 97.8 25.9 15.4 40.7 9 10 A P E - 0 0 56 0, 0.0 2,-0.8 0, 0.0 109,-0.2 -0.223 15.5-150.2 -55.7 129.8 27.3 13.1 38.0 10 11 A F E -A 117 0A 0 107,-3.0 107,-1.5 4,-0.0 2,-0.2 -0.913 34.9-178.0 -96.2 105.3 25.0 12.3 35.1 11 12 A K E > -A 116 0A 109 -2,-0.8 3,-2.4 105,-0.2 105,-0.2 -0.609 34.7 -69.7-113.2 163.0 26.3 8.9 34.2 12 13 A L T 3 S+ 0 0 80 103,-1.8 -1,-0.1 1,-0.3 80,-0.1 -0.205 120.4 20.4 -45.6 121.9 25.7 6.1 31.7 13 14 A G T 3 S+ 0 0 55 78,-1.1 -1,-0.3 1,-0.3 2,-0.1 0.227 96.9 111.6 99.4 -15.4 22.3 4.6 32.4 14 15 A M < - 0 0 39 -3,-2.4 77,-0.4 77,-0.1 2,-0.4 -0.482 59.0-134.7 -87.6 162.0 20.8 7.4 34.4 15 16 A Y - 0 0 133 -2,-0.1 119,-1.9 75,-0.1 2,-0.5 -0.954 9.8-159.5-119.3 140.9 17.8 9.5 33.2 16 17 A L E -GH 89 133B 0 73,-2.4 73,-2.6 -2,-0.4 2,-0.5 -0.976 10.7-180.0-117.2 123.6 17.5 13.3 33.3 17 18 A T E +GH 88 132B 10 115,-2.4 115,-2.3 -2,-0.5 2,-0.4 -0.996 4.5 179.3-121.8 125.7 14.0 14.9 33.1 18 19 A V E -GH 87 131B 2 69,-2.5 69,-2.3 -2,-0.5 2,-0.3 -0.944 5.7-168.3-123.1 146.8 13.8 18.7 33.2 19 20 A G E +GH 86 130B 0 111,-2.1 110,-2.7 -2,-0.4 111,-1.5 -0.960 20.2 137.4-129.7 152.5 10.6 20.6 33.0 20 21 A G E -GH 85 128B 0 65,-2.1 65,-1.9 -2,-0.3 2,-0.4 -0.897 44.3 -92.8-166.5-162.5 10.1 24.3 32.5 21 22 A V E -GH 84 127B 12 106,-1.9 106,-1.8 -2,-0.3 2,-0.3 -0.999 27.6-131.6-136.2 131.6 8.3 27.2 30.9 22 23 A V E - H 0 126B 1 61,-2.7 60,-1.5 58,-0.4 104,-0.3 -0.641 33.9-114.6 -79.1 134.9 9.4 29.1 27.7 23 24 A N > - 0 0 61 102,-2.3 3,-1.1 -2,-0.3 59,-0.4 -0.267 29.0-103.8 -64.4 155.4 9.3 32.9 28.1 24 25 A S T 3 S+ 0 0 83 1,-0.2 -1,-0.1 57,-0.2 58,-0.0 -0.568 112.3 20.6 -69.5 148.8 6.8 35.0 26.1 25 26 A N T 3 S+ 0 0 141 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.708 91.4 172.8 62.3 21.7 8.7 36.7 23.4 26 27 A A < - 0 0 4 -3,-1.1 -1,-0.2 1,-0.2 3,-0.1 -0.290 26.6-168.3 -61.3 137.4 11.5 34.1 23.7 27 28 A T - 0 0 67 1,-0.4 21,-2.2 21,-0.1 22,-2.0 0.861 66.7 -45.3 -88.3 -55.2 14.2 34.2 21.0 28 29 A R E -B 47 0A 64 19,-0.2 97,-2.9 20,-0.2 -1,-0.4 -0.968 50.1-164.9-170.3 160.0 15.8 30.8 22.0 29 30 A F E -BC 46 124A 1 17,-1.2 17,-3.1 95,-0.3 2,-0.3 -0.970 12.4-153.0-149.5 159.0 16.9 28.8 25.0 30 31 A S E -BC 45 123A 10 93,-2.6 93,-1.7 -2,-0.3 2,-0.4 -0.965 16.0-142.0-137.4 158.7 19.1 25.7 25.3 31 32 A I E -BC 44 122A 3 13,-1.7 13,-2.5 -2,-0.3 2,-0.4 -0.957 29.1-167.2-113.6 130.6 19.7 22.7 27.6 32 33 A N E -BC 43 121A 2 89,-2.5 89,-2.1 -2,-0.4 2,-0.4 -0.977 12.3-171.4-126.4 132.7 23.4 22.0 27.8 33 34 A V E +BC 42 120A 0 9,-2.1 9,-2.0 -2,-0.4 8,-1.8 -0.998 41.9 89.0-124.2 127.4 25.1 18.8 29.2 34 35 A G E S-BC 40 119A 4 85,-2.4 85,-1.6 -2,-0.4 84,-0.7 -0.826 82.3 -69.1-174.8-144.3 28.9 18.9 29.7 35 36 A E E S- 0 0 123 4,-2.6 2,-0.3 1,-0.4 5,-0.2 0.667 100.7 -14.9-115.2 -35.9 31.8 19.7 31.9 36 37 A S E > S-B 39 0A 40 3,-2.2 3,-1.3 83,-0.1 -1,-0.4 -0.909 79.9 -82.9-159.6-179.8 31.6 23.6 32.1 37 38 A T T 3 S+ 0 0 70 1,-0.3 3,-0.1 -2,-0.3 84,-0.0 0.686 132.9 43.9 -72.8 -9.9 30.0 26.5 30.3 38 39 A D T 3 S+ 0 0 65 1,-0.2 2,-0.4 26,-0.0 -1,-0.3 0.221 111.1 56.3-109.7 9.1 32.9 26.2 27.8 39 40 A S E < +B 36 0A 10 -3,-1.3 -4,-2.6 24,-0.1 -3,-2.2 -0.840 65.9 162.8-146.4 98.9 32.8 22.4 27.4 40 41 A I E -BD 34 62A 4 22,-2.0 22,-2.5 -2,-0.4 -6,-0.3 -0.984 22.3-172.6-126.0 122.1 29.4 21.1 26.4 41 42 A A E S+ 0 0 6 -8,-1.8 2,-0.4 -2,-0.5 70,-0.3 0.832 83.8 25.3 -83.8 -31.9 28.9 17.6 25.0 42 43 A M E +B 33 0A 0 -9,-2.0 -9,-2.1 68,-0.1 2,-0.5 -0.930 65.7 179.0-136.6 108.5 25.3 18.1 24.0 43 44 A H E -BD 32 60A 11 17,-2.7 17,-1.9 -2,-0.4 2,-0.6 -0.975 5.5-173.5-103.2 121.2 23.9 21.6 23.3 44 45 A M E -BD 31 59A 0 -13,-2.5 -13,-1.7 -2,-0.5 2,-0.4 -0.927 7.1-169.5-120.1 105.4 20.2 21.5 22.3 45 46 A D E -BD 30 58A 1 13,-3.2 13,-2.2 -2,-0.6 2,-0.6 -0.775 12.2-153.8-100.0 138.3 19.1 25.0 21.2 46 47 A H E -BD 29 57A 0 -17,-3.1 -17,-1.2 -2,-0.4 2,-0.7 -0.939 15.2-161.9-114.8 108.5 15.4 25.7 20.7 47 48 A R E +BD 28 56A 17 9,-2.9 9,-1.7 -2,-0.6 8,-1.3 -0.844 26.7 164.2-106.9 110.7 15.1 28.6 18.2 48 49 A F S S- 0 0 13 -21,-2.2 7,-0.4 -2,-0.7 2,-0.3 0.902 88.8 -12.9 -83.6 -51.2 11.8 30.5 18.1 49 50 A S S S+ 0 0 66 -22,-2.0 2,-0.3 5,-0.2 -1,-0.3 -0.846 79.3 149.1-151.5 110.0 13.5 33.3 16.1 50 51 A Y B > S-K 53 0C 98 3,-2.7 3,-2.8 -2,-0.3 2,-0.2 -0.854 72.2 -54.5-145.1 108.7 17.2 33.5 15.9 51 52 A G T 3 S- 0 0 73 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.499 123.5 -18.0 62.7-124.9 18.8 35.0 12.7 52 53 A A T 3 S+ 0 0 94 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.344 117.6 101.4 -86.2 -4.9 17.3 33.1 9.9 53 54 A D B < +K 50 0C 31 -3,-2.8 -3,-2.7 3,-0.0 2,-0.4 -0.788 43.4 172.9 -93.5 124.1 16.2 30.2 12.1 54 55 A Q - 0 0 135 -2,-0.5 -6,-0.2 -5,-0.2 -5,-0.2 -0.993 67.1 -10.0-137.3 122.8 12.5 30.0 13.1 55 56 A N S S+ 0 0 89 -8,-1.3 2,-0.3 -7,-0.4 -7,-0.2 0.908 97.3 127.3 57.1 59.9 11.0 27.0 15.0 56 57 A V E -D 47 0A 19 -9,-1.7 -9,-2.9 -3,-0.1 2,-0.5 -0.946 55.1-132.6-138.7 151.5 14.0 24.7 14.7 57 58 A L E -DE 46 74A 0 17,-2.9 17,-2.7 -2,-0.3 2,-0.5 -0.908 21.1-166.0-101.6 135.5 16.1 22.6 17.1 58 59 A V E -DE 45 73A 1 -13,-2.2 -13,-3.2 -2,-0.5 2,-0.4 -0.988 2.9-168.9-124.0 125.5 19.8 22.9 16.6 59 60 A L E +DE 44 72A 3 13,-3.3 13,-2.8 -2,-0.5 2,-0.3 -0.909 21.4 136.9-114.3 141.4 22.1 20.3 18.3 60 61 A N E -D 43 0A 5 -17,-1.9 -17,-2.7 -2,-0.4 2,-0.3 -0.945 41.3-117.0-163.8 178.6 25.9 20.7 18.6 61 62 A S E - 0 0 2 -2,-0.3 8,-1.9 -19,-0.2 2,-0.5 -0.938 17.5-144.3-126.9 154.0 28.9 20.2 21.0 62 63 A L E -DF 40 68A 19 -22,-2.5 -22,-2.0 -2,-0.3 2,-0.5 -0.986 11.4-150.7-120.8 125.3 31.3 22.9 22.2 63 64 A V E >> - F 0 67A 50 4,-2.6 3,-2.5 -2,-0.5 4,-2.4 -0.825 31.1-101.1-102.4 131.5 35.0 22.0 22.7 64 65 A H T 34 S- 0 0 111 -2,-0.5 -25,-0.1 1,-0.3 -1,-0.1 -0.234 101.4 -6.5 -56.0 125.6 36.9 23.9 25.3 65 66 A N T 34 S+ 0 0 147 -27,-0.2 -1,-0.3 1,-0.1 -26,-0.1 0.622 131.5 70.3 59.2 17.5 39.1 26.6 23.9 66 67 A V T <4 S- 0 0 106 -3,-2.5 2,-0.3 1,-0.1 -2,-0.2 0.686 88.0-136.5-122.5 -57.7 38.2 25.3 20.4 67 68 A G E < -F 63 0A 21 -4,-2.4 -4,-2.6 -29,-0.2 2,-0.1 -0.837 40.3 -17.3 130.2-173.6 34.5 26.2 19.7 68 69 A W E -F 62 0A 122 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.479 55.2-156.3 -75.0 143.2 31.3 24.7 18.2 69 70 A Q - 0 0 85 -8,-1.9 2,-0.4 1,-0.2 -1,-0.1 0.128 49.9 -29.3 -98.6-147.8 31.6 21.6 16.0 70 71 A Q - 0 0 129 1,-0.0 -1,-0.2 -10,-0.0 2,-0.2 -0.568 65.2-136.1 -75.1 123.5 29.1 20.3 13.2 71 72 A E - 0 0 82 -2,-0.4 2,-0.4 -11,-0.1 -11,-0.2 -0.535 12.9-160.4 -75.7 146.8 25.5 21.4 13.9 72 73 A E E -E 59 0A 67 -13,-2.8 -13,-3.3 -2,-0.2 2,-0.4 -0.924 13.6-157.8-119.9 143.6 22.7 18.9 13.5 73 74 A R E -E 58 0A 114 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.934 8.0-163.0-122.5 151.5 19.2 20.4 13.0 74 75 A S E -E 57 0A 7 -17,-2.7 -17,-2.9 -2,-0.4 32,-0.0 -0.996 17.9-154.9-135.5 148.7 15.7 19.0 13.6 75 76 A K + 0 0 158 -2,-0.4 2,-0.4 -19,-0.2 -1,-0.1 0.551 64.4 110.3 -94.2 -14.8 12.5 20.2 12.4 76 77 A K + 0 0 56 1,-0.1 -2,-0.1 -19,-0.1 -19,-0.0 -0.546 38.3 160.2 -66.0 119.4 10.5 18.6 15.3 77 78 A F + 0 0 34 -2,-0.4 2,-1.6 -21,-0.1 -1,-0.1 -0.479 16.2 163.3-148.0 70.9 9.4 21.6 17.4 78 79 A P + 0 0 41 0, 0.0 2,-0.4 0, 0.0 23,-0.1 -0.322 45.5 118.7 -78.7 53.6 6.4 20.9 19.7 79 80 A F - 0 0 16 -2,-1.6 2,-0.4 6,-0.1 6,-0.1 -0.970 41.9-170.3-126.2 143.4 7.2 24.1 21.7 80 81 A T > - 0 0 82 -2,-0.4 3,-1.8 4,-0.2 -58,-0.4 -0.995 31.1-110.0-131.4 135.2 5.1 27.3 22.3 81 82 A K T 3 S+ 0 0 99 -2,-0.4 -57,-0.2 1,-0.2 -58,-0.2 -0.391 106.2 22.5 -58.4 139.4 6.2 30.5 23.9 82 83 A G T 3 S+ 0 0 33 -60,-1.5 -1,-0.2 -59,-0.4 2,-0.2 0.269 109.2 106.1 84.6 -6.2 4.6 31.1 27.3 83 84 A D S < S- 0 0 85 -3,-1.8 -61,-2.7 -60,-0.2 -1,-0.3 -0.604 71.7-101.0-110.8 166.5 4.1 27.3 27.7 84 85 A H E -G 21 0B 137 -63,-0.2 2,-0.3 -2,-0.2 -63,-0.3 -0.355 32.1-175.2 -75.5 152.4 5.5 24.4 29.6 85 86 A F E -G 20 0B 8 -65,-1.9 -65,-2.1 -2,-0.1 2,-0.3 -0.955 9.2-161.6-141.0 165.2 7.8 21.8 28.2 86 87 A Q E -G 19 0B 92 -2,-0.3 2,-0.4 -67,-0.2 -67,-0.2 -0.969 10.3-175.5-150.0 131.2 9.3 18.5 29.5 87 88 A T E -G 18 0B 1 -69,-2.3 -69,-2.5 -2,-0.3 2,-0.4 -0.992 9.6-159.5-135.8 137.8 12.4 16.7 28.1 88 89 A T E -GI 17 99B 34 11,-2.1 11,-2.8 -2,-0.4 2,-0.4 -0.963 10.3-173.3-118.9 136.0 14.1 13.5 29.0 89 90 A I E +GI 16 98B 0 -73,-2.6 -73,-2.4 -2,-0.4 2,-0.3 -0.983 12.0 160.8-129.2 131.7 17.7 12.6 28.2 90 91 A T E - 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0 0 78 -5,-0.1 -4,-3.0 1,-0.0 -1,-0.3 -0.395 43.4-145.6 -67.5 152.9 8.9 12.5 19.5 105 106 A T E -J 99 0B 55 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.839 17.2-167.1-122.5 159.7 12.6 11.7 19.9 106 107 A V E -J 98 0B 14 -8,-2.3 -8,-2.8 -2,-0.3 2,-0.4 -0.988 10.4-155.4-140.3 142.2 15.9 13.1 18.6 107 108 A E E -J 97 0B 93 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.928 10.1-177.1-116.1 145.9 19.3 11.3 18.8 108 109 A F E -J 96 0B 1 -12,-2.0 -12,-3.5 -2,-0.4 2,-0.0 -0.992 32.5-102.9-141.6 137.2 22.7 13.0 18.7 109 110 A P E -J 95 0B 45 0, 0.0 2,-1.6 0, 0.0 -14,-0.3 -0.276 19.8-130.6 -55.7 137.1 26.2 11.4 18.8 110 111 A N > - 0 0 6 -16,-2.1 3,-1.3 1,-0.2 -68,-0.1 -0.718 33.7-172.8 -85.2 87.7 28.2 11.3 22.0 111 112 A R T 3 S+ 0 0 73 -2,-1.6 -1,-0.2 -70,-0.3 -69,-0.0 0.765 76.2 39.9 -64.4 -29.0 31.2 12.7 20.1 112 113 A N T 3 S- 0 0 81 -3,-0.1 -1,-0.3 -71,-0.1 -18,-0.1 0.492 103.3-125.3 -96.9 -1.8 33.8 12.4 22.8 113 114 A K < + 0 0 129 -3,-1.3 2,-0.2 1,-0.2 -2,-0.1 0.880 46.3 175.5 55.6 43.1 32.5 9.0 24.1 114 115 A D - 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