==== 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 30-OCT-02 1N47 . COMPND 2 MOLECULE: ISOLECTIN B4; . SOURCE 2 ORGANISM_SCIENTIFIC: VICIA VILLOSA; . AUTHOR A.BABINO,D.TELLO,A.ROJAS,S.BAY,E.OSINAGA,P.M.ALZARI . 936 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 636 67.9 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 . 404 43.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 93 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 . 8 12 0 4 8 8 14 8 4 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 . 4 0 0 0 0 4 0 0 0 0 0 0 0 0 2 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 T 0 0 73 0, 0.0 242,-2.2 0, 0.0 243,-0.6 0.000 360.0 360.0 360.0 133.5 1.9 62.4 -1.3 2 2 A E E -AB 232 242A 16 230,-0.9 230,-1.9 240,-0.2 2,-0.3 -0.969 360.0-166.1-151.1 147.4 -1.7 61.1 -1.1 3 3 A S E -AB 231 241A 34 238,-2.2 238,-1.4 -2,-0.3 2,-0.3 -0.903 7.3-171.3-131.0 159.4 -3.4 57.9 -2.0 4 4 A T E +AB 230 240A 8 226,-1.2 226,-2.2 -2,-0.3 2,-0.3 -0.941 15.9 159.7-149.9 125.5 -6.9 56.5 -2.5 5 5 A S E +AB 229 239A 36 234,-2.5 234,-3.1 -2,-0.3 2,-0.3 -0.996 4.3 156.5-146.2 157.4 -8.0 53.0 -3.0 6 6 A F E -AB 228 238A 4 222,-2.0 222,-2.6 -2,-0.3 2,-0.3 -0.961 12.6-166.8-166.2 158.6 -11.0 50.8 -2.7 7 7 A S E -AB 227 237A 37 230,-1.4 230,-1.5 -2,-0.3 2,-0.5 -0.966 7.5-160.7-158.1 141.7 -12.3 47.5 -4.2 8 8 A F E -AB 226 236A 6 218,-3.3 218,-2.3 -2,-0.3 228,-0.2 -0.987 10.6-178.8-126.2 123.6 -15.6 45.6 -4.3 9 9 A T S S- 0 0 87 226,-3.1 2,-0.3 -2,-0.5 227,-0.1 0.681 86.1 -3.9 -86.9 -23.6 -15.7 41.9 -5.1 10 10 A N S S- 0 0 65 225,-0.8 -1,-0.4 -3,-0.1 2,-0.2 -0.952 76.3-125.4-157.6 162.3 -19.5 42.2 -4.8 11 11 A F - 0 0 3 19,-1.4 3,-0.0 -2,-0.3 225,-0.0 -0.597 11.6-139.2-109.5 172.3 -22.0 45.0 -3.9 12 12 A N > - 0 0 28 -2,-0.2 3,-1.4 1,-0.1 16,-0.1 -0.950 25.1-118.7-126.9 151.1 -24.8 45.3 -1.4 13 13 A P T 3 S+ 0 0 89 0, 0.0 13,-0.2 0, 0.0 -1,-0.1 0.822 115.7 48.0 -60.2 -28.7 -28.2 46.9 -1.8 14 14 A N T 3 S+ 0 0 70 -3,-0.0 2,-1.9 3,-0.0 3,-0.1 -0.208 72.2 160.1-106.9 46.9 -27.4 49.4 0.9 15 15 A Q X + 0 0 10 -3,-1.4 3,-1.8 1,-0.2 5,-0.1 -0.461 11.4 177.5 -70.1 87.0 -24.0 50.4 -0.4 16 16 A N T 3 S+ 0 0 85 -2,-1.9 -1,-0.2 1,-0.3 274,-0.0 0.607 74.2 65.2 -65.2 -17.6 -23.7 53.7 1.5 17 17 A N T 3 S+ 0 0 2 271,-0.1 36,-2.5 -3,-0.1 2,-0.4 0.449 96.0 69.6 -89.5 2.3 -20.2 54.2 0.1 18 18 A L E < S-P 52 0B 12 -3,-1.8 2,-0.6 34,-0.2 34,-0.2 -0.896 75.3-138.7-114.5 148.7 -21.6 54.5 -3.4 19 19 A I E -P 51 0B 57 32,-2.9 32,-2.7 -2,-0.4 2,-0.4 -0.938 21.9-160.8-107.3 114.1 -23.7 57.3 -4.8 20 20 A L E -P 50 0B 67 -2,-0.6 2,-0.4 30,-0.2 30,-0.2 -0.817 5.5-164.6 -97.9 129.4 -26.4 55.9 -7.0 21 21 A Q E > -P 49 0B 23 28,-3.0 28,-1.8 -2,-0.4 3,-1.5 -0.913 48.9 -31.4-120.9 146.2 -28.2 58.1 -9.6 22 22 A E E 3 S-P 48 0B 116 -2,-0.4 26,-0.2 1,-0.2 13,-0.0 -0.344 128.4 -3.2 54.7-121.1 -31.5 57.6 -11.5 23 23 A D T 3 S+ 0 0 60 24,-2.6 -1,-0.2 -2,-0.1 25,-0.2 0.652 94.7 126.4 -77.5 -19.7 -32.2 53.9 -12.2 24 24 A A < + 0 0 10 -3,-1.5 2,-0.3 23,-0.2 10,-0.2 -0.092 30.9 153.7 -46.9 132.5 -29.0 52.4 -10.7 25 25 A L E -C 33 0A 83 8,-1.1 8,-1.8 10,-0.1 2,-0.5 -0.955 40.2-114.9-156.3 163.4 -29.7 49.7 -8.2 26 26 A V E -C 32 0A 13 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.960 29.9-128.9-117.6 130.2 -28.1 46.6 -6.6 27 27 A N > - 0 0 43 4,-3.0 3,-0.6 -2,-0.5 -1,-0.0 0.061 25.6-110.0 -57.9 172.4 -29.6 43.1 -7.1 28 28 A S T 3 S+ 0 0 131 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.602 121.5 57.4 -81.6 -8.2 -30.3 40.6 -4.4 29 29 A A T 3 S- 0 0 85 2,-0.2 -1,-0.2 -17,-0.0 -18,-0.0 0.512 123.3-100.8 -99.8 -3.2 -27.4 38.7 -5.9 30 30 A G S < S+ 0 0 11 -3,-0.6 -19,-1.4 1,-0.3 2,-0.4 0.737 76.8 132.9 93.2 23.8 -24.8 41.5 -5.5 31 31 A T - 0 0 30 -21,-0.1 -4,-3.0 2,-0.0 2,-1.0 -0.911 56.1-130.5-110.3 138.4 -24.8 42.8 -9.0 32 32 A L E -CD 26 223A 0 191,-2.4 191,-2.7 -2,-0.4 2,-1.4 -0.761 19.0-158.7 -88.6 99.9 -25.0 46.5 -9.8 33 33 A E E -CD 25 222A 26 -8,-1.8 -8,-1.1 -2,-1.0 189,-0.2 -0.655 9.3-175.1 -80.2 89.9 -27.7 46.8 -12.4 34 34 A L S S+ 0 0 0 187,-1.5 2,-0.3 -2,-1.4 -1,-0.2 0.916 71.5 37.6 -53.5 -47.2 -26.8 50.2 -13.9 35 35 A T S S- 0 0 1 186,-0.4 186,-0.3 -3,-0.1 175,-0.1 -0.804 104.5 -82.5-108.9 152.5 -29.9 50.1 -16.2 36 36 A A - 0 0 30 -2,-0.3 7,-1.9 7,-0.1 2,-0.4 -0.121 35.0-169.6 -59.1 138.8 -33.4 48.8 -15.3 37 37 A V B +V 42 0C 39 5,-0.2 -1,-0.1 1,-0.1 -4,-0.0 -0.897 10.3 172.2-131.9 102.1 -34.3 45.1 -15.5 38 38 A A S S+ 0 0 78 3,-1.5 -1,-0.1 -2,-0.4 5,-0.1 0.996 73.4 0.7 -79.8 -80.1 -38.0 44.3 -15.2 39 39 A A S S- 0 0 102 2,-0.3 -2,-0.1 3,-0.1 0, 0.0 0.962 127.4 -62.9 -72.1 -71.4 -39.0 40.7 -15.8 40 40 A G S S+ 0 0 70 2,-0.1 -2,-0.0 0, 0.0 -3,-0.0 -0.158 118.8 97.5-163.0 27.0 -35.6 39.4 -16.6 41 41 A A S S- 0 0 42 178,-0.1 -3,-1.5 36,-0.0 -2,-0.3 -0.931 80.3-101.3-127.4 148.7 -35.3 41.7 -19.5 42 42 A P B -V 37 0C 14 0, 0.0 -5,-0.2 0, 0.0 174,-0.1 -0.242 34.4-129.4 -64.8 156.1 -33.8 45.2 -20.0 43 43 A V > - 0 0 48 -7,-1.9 3,-0.7 176,-0.2 176,-0.2 -0.882 16.6-123.6-112.9 139.1 -36.1 48.2 -20.0 44 44 A P T 3 S+ 0 0 45 0, 0.0 169,-0.2 0, 0.0 171,-0.1 -0.313 89.9 28.8 -71.6 163.1 -36.0 50.9 -22.7 45 45 A D T 3 S+ 0 0 87 167,-2.3 2,-0.3 1,-0.2 168,-0.1 0.660 86.6 149.2 66.0 17.3 -35.5 54.6 -21.9 46 46 A S < - 0 0 1 -3,-0.7 165,-1.8 166,-0.2 2,-0.4 -0.665 26.4-174.9 -95.5 144.2 -33.4 53.8 -18.8 47 47 A L E + Q 0 210B 1 -2,-0.3 -24,-2.6 163,-0.2 2,-0.3 -0.996 8.6 172.6-136.1 127.8 -30.5 55.9 -17.5 48 48 A G E +PQ 22 209B 0 161,-2.2 161,-2.1 -2,-0.4 2,-0.3 -0.997 7.2 177.5-140.5 140.1 -28.2 54.8 -14.5 49 49 A R E -PQ 21 208B 1 -28,-1.8 -28,-3.0 -2,-0.3 2,-0.3 -0.968 4.8-172.2-138.2 154.4 -25.0 56.1 -12.9 50 50 A A E -PQ 20 207B 0 157,-2.0 157,-1.8 -2,-0.3 2,-0.3 -0.948 8.3-179.2-150.1 124.2 -22.9 55.1 -9.9 51 51 A L E -PQ 19 206B 2 -32,-2.7 -32,-2.9 -2,-0.3 2,-0.3 -0.843 33.6-106.1-124.7 160.6 -20.0 56.9 -8.3 52 52 A Y E -P 18 0B 0 153,-2.1 153,-0.3 -2,-0.3 -34,-0.2 -0.674 34.0-126.8 -81.0 139.8 -17.6 56.3 -5.4 53 53 A A S S+ 0 0 8 -36,-2.5 -1,-0.1 -2,-0.3 -35,-0.1 0.921 87.4 69.1 -53.6 -52.6 -18.5 58.6 -2.4 54 54 A A S S- 0 0 0 -37,-0.2 151,-0.3 235,-0.1 -2,-0.1 -0.542 82.6-127.5 -75.9 129.0 -15.1 60.2 -1.9 55 55 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 149,-0.2 -0.321 27.6-132.9 -56.6 152.4 -13.8 62.6 -4.5 56 56 A I E -W 203 0D 0 147,-3.8 147,-2.4 -52,-0.0 2,-0.9 -0.922 8.0-125.1-116.8 145.9 -10.3 61.7 -5.6 57 57 A H E +W 202 0D 6 -2,-0.4 145,-0.2 145,-0.2 3,-0.1 -0.782 34.8 168.4 -90.0 107.2 -7.4 64.1 -6.0 58 58 A I - 0 0 0 143,-1.7 7,-2.4 -2,-0.9 2,-0.3 0.601 61.2 -3.4 -99.1 -19.3 -6.2 63.8 -9.5 59 59 A H B -X 64 0E 7 142,-1.2 -1,-0.2 5,-0.2 5,-0.2 -0.974 43.0-147.7-164.1 161.3 -3.8 66.8 -9.7 60 60 A D - 0 0 49 3,-1.9 2,-1.7 -2,-0.3 3,-0.2 -0.256 65.2 -90.6-126.8 45.6 -2.5 69.8 -7.8 61 61 A N S S+ 0 0 108 1,-0.2 3,-0.1 2,-0.2 135,-0.0 -0.205 122.3 34.6 79.1 -47.7 -2.0 72.2 -10.7 62 62 A T S S+ 0 0 100 -2,-1.7 2,-0.4 1,-0.2 -1,-0.2 0.803 112.8 52.7-108.8 -36.8 1.6 71.1 -11.3 63 63 A T - 0 0 56 -3,-0.2 -3,-1.9 170,-0.1 2,-0.3 -0.838 69.5-145.7-105.1 140.6 1.8 67.5 -10.5 64 64 A L B -X 59 0E 10 -2,-0.4 169,-0.3 -5,-0.2 -5,-0.2 -0.672 14.4-127.7 -96.6 153.3 -0.5 64.8 -12.0 65 65 A A - 0 0 0 -7,-2.4 2,-0.3 -2,-0.3 167,-0.2 -0.534 14.9-132.6 -90.9 162.2 -1.7 61.7 -10.2 66 66 A S E -E 231 0A 46 165,-2.9 165,-2.1 -2,-0.2 2,-0.3 -0.858 28.3-177.9-104.8 153.0 -1.4 58.1 -11.5 67 67 A F E -EF 230 167A 6 100,-1.8 100,-3.1 -2,-0.3 2,-0.3 -0.999 18.9-170.4-152.9 153.8 -4.3 55.7 -11.4 68 68 A T E -EF 229 166A 67 161,-2.1 161,-2.1 -2,-0.3 2,-0.4 -0.995 10.3-179.5-138.2 131.4 -5.4 52.2 -12.2 69 69 A T E -EF 228 165A 1 96,-1.9 96,-2.1 -2,-0.3 2,-0.4 -0.984 6.0-167.9-132.3 143.8 -8.9 50.8 -12.2 70 70 A S E +EF 227 164A 48 157,-2.5 157,-2.6 -2,-0.4 2,-0.3 -0.996 14.7 163.3-128.7 133.1 -10.2 47.3 -12.9 71 71 A F E -EF 226 163A 2 92,-1.9 92,-3.5 -2,-0.4 2,-0.4 -0.972 23.7-147.2-142.7 163.1 -13.7 46.3 -13.4 72 72 A S E +EF 225 162A 5 153,-1.8 152,-2.3 -2,-0.3 153,-1.0 -0.981 21.2 174.9-124.7 138.6 -15.8 43.5 -14.8 73 73 A F E -EF 223 161A 1 88,-1.0 88,-3.0 -2,-0.4 2,-0.3 -0.906 17.4-153.3-136.0 170.7 -19.2 43.7 -16.6 74 74 A V E -E 222 0A 32 148,-1.5 148,-2.3 -2,-0.3 2,-0.5 -0.990 5.1-162.0-143.5 131.8 -21.7 41.6 -18.4 75 75 A M - 0 0 2 84,-0.4 83,-2.1 -2,-0.3 2,-0.4 -0.976 9.5-169.9-114.9 128.4 -24.2 42.7 -21.0 76 76 A A - 0 0 42 -2,-0.5 144,-2.6 81,-0.2 3,-0.1 -0.891 4.1-176.7-115.0 148.5 -27.2 40.5 -21.8 77 77 A A - 0 0 29 -2,-0.4 3,-0.3 142,-0.2 142,-0.1 -0.997 30.8-145.3-145.2 138.7 -29.6 41.0 -24.7 78 78 A P S S+ 0 0 93 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.910 101.8 25.3 -66.3 -40.0 -32.8 39.3 -25.8 79 79 A A S > S- 0 0 55 3,-0.4 3,-2.3 139,-0.3 139,-0.1 -0.872 74.4-147.0-135.1 103.7 -31.8 39.8 -29.4 80 80 A A T 3 S+ 0 0 76 -2,-0.4 3,-0.2 -3,-0.3 -1,-0.1 0.463 96.4 47.4 -42.7 -13.3 -28.0 40.3 -30.3 81 81 A A T 3 S+ 0 0 105 1,-0.2 -1,-0.3 -4,-0.0 2,-0.2 0.071 102.8 60.3-123.2 21.7 -28.7 42.7 -33.2 82 82 A A S < S+ 0 0 32 -3,-2.3 136,-0.8 136,-0.2 -3,-0.4 -0.684 77.8 132.4-148.6 80.2 -31.2 45.1 -31.5 83 83 A V - 0 0 15 134,-0.3 2,-0.3 43,-0.2 135,-0.2 -0.983 34.3-140.4-140.6 144.2 -29.1 46.4 -28.7 84 84 A A - 0 0 0 -2,-0.3 128,-0.8 128,-0.1 135,-0.4 -0.935 36.0 -22.9-173.8 160.5 -28.2 49.9 -27.2 85 85 A D E -R 211 0B 0 126,-0.4 41,-0.9 -2,-0.3 42,-0.6 -0.991 60.7-133.2-113.8 -5.9 -26.7 52.1 -26.0 86 86 A G E -RS 210 125B 0 124,-0.8 124,-1.4 39,-0.2 2,-0.3 -0.550 15.6 -98.4 119.9 173.2 -23.5 51.1 -24.1 87 87 A L E -RS 209 124B 0 37,-1.4 37,-2.3 122,-0.2 2,-0.3 -0.918 28.1-162.6-132.1 160.6 -21.8 51.8 -20.8 88 88 A A E -RS 208 123B 0 120,-2.3 120,-2.2 -2,-0.3 2,-0.4 -0.997 17.1-143.4-147.4 149.6 -18.9 54.0 -19.7 89 89 A F E +RS 207 122B 2 33,-1.9 33,-2.1 -2,-0.3 2,-0.3 -0.892 39.4 170.8-104.8 141.3 -16.4 54.6 -17.0 90 90 A F E -RS 206 121B 1 116,-3.1 116,-1.7 -2,-0.4 2,-0.4 -0.979 37.3-140.9-153.4 165.3 -15.7 58.3 -16.2 91 91 A L E +RS 205 120B 7 29,-2.7 29,-2.1 -2,-0.3 114,-0.2 -0.961 36.4 149.8-120.4 140.4 -14.1 61.1 -14.2 92 92 A A E -R 204 0B 0 112,-1.6 112,-3.2 -2,-0.4 27,-0.2 -0.974 51.6 -61.1-160.4 168.9 -16.0 64.3 -13.6 93 93 A P > - 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