==== 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 SUGAR BINDING PROTEIN 07-SEP-01 1JXN . COMPND 2 MOLECULE: ANTI-H(O) LECTIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: ULEX EUROPAEUS; . AUTHOR G.F.AUDETTE,D.J.H.OLSON,A.R.S.ROSS,J.W.QUAIL,L.T.J.DELBAERE . 959 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 633 66.0 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 . 396 41.3 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 . 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 . 1 0.1 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 . 88 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 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 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 . 4 12 6 6 13 10 13 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 1 1 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 9 0, 0.0 248,-0.2 0, 0.0 55,-0.2 0.000 360.0 360.0 360.0 154.4 18.1 -2.7 27.1 2 2 A D + 0 0 28 246,-3.3 235,-1.2 1,-0.4 2,-0.4 0.795 360.0 28.2-103.1 -43.7 19.4 -5.6 25.1 3 3 A D E S+AB 236 248A 37 245,-1.1 245,-1.4 233,-0.2 -1,-0.4 -0.896 70.4 173.1-118.8 144.8 16.2 -7.6 24.7 4 4 A L E +AB 235 247A 4 231,-1.7 231,-2.4 -2,-0.4 2,-0.3 -0.987 5.4 162.0-152.2 146.2 12.7 -6.1 24.8 5 5 A S E +AB 234 246A 23 241,-1.6 241,-2.0 -2,-0.3 2,-0.3 -0.899 2.5 169.4-166.1 138.9 9.2 -7.4 24.2 6 6 A F E -AB 233 245A 2 227,-1.5 227,-0.9 -2,-0.3 2,-0.4 -0.975 14.1-157.0-153.3 142.1 5.8 -6.2 25.1 7 7 A K E -AB 232 244A 83 237,-2.2 236,-3.5 -2,-0.3 237,-1.5 -0.989 3.0-164.8-128.7 133.8 2.4 -7.4 24.0 8 8 A F E +A 231 0A 8 223,-2.9 223,-2.3 -2,-0.4 3,-0.1 -0.989 11.3 173.7-114.7 116.0 -0.8 -5.4 24.0 9 9 A K S S+ 0 0 95 -2,-0.5 2,-0.2 221,-0.2 -1,-0.1 0.724 79.6 1.1 -89.7 -24.1 -3.8 -7.6 23.6 10 10 A N S S- 0 0 102 -3,-0.1 2,-0.3 221,-0.1 233,-0.1 -0.619 77.0-121.7-142.3-169.3 -6.1 -4.6 24.2 11 11 A F - 0 0 5 19,-0.3 2,-0.3 -2,-0.2 16,-0.1 -0.918 19.2-148.8-151.2 115.7 -5.5 -1.0 24.8 12 12 A S > - 0 0 24 -2,-0.3 3,-1.5 1,-0.1 14,-0.1 -0.661 16.4-132.9 -88.1 145.0 -6.7 0.8 27.9 13 13 A Q T 3 S+ 0 0 122 -2,-0.3 -1,-0.1 1,-0.3 13,-0.1 0.469 107.5 55.6 -74.5 -2.6 -7.7 4.5 27.8 14 14 A N T 3 S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.003 81.3 148.8-113.6 21.0 -5.7 5.2 31.0 15 15 A G < - 0 0 32 -3,-1.5 435,-0.0 1,-0.1 11,-0.0 -0.089 31.1-170.7 -54.9 154.4 -2.6 3.7 29.4 16 16 A K S S+ 0 0 113 279,-0.2 -1,-0.1 3,-0.0 280,-0.0 0.303 72.0 68.5-132.6 7.8 0.7 5.2 30.6 17 17 A D S S+ 0 0 2 277,-0.1 35,-2.1 35,-0.0 2,-0.4 0.020 85.1 74.9-117.9 28.9 3.2 3.6 28.2 18 18 A L E -R 51 0B 20 33,-0.2 2,-0.5 34,-0.1 33,-0.2 -0.985 59.2-153.7-143.2 128.5 2.2 5.3 24.9 19 19 A S E -R 50 0B 42 31,-2.1 31,-2.1 -2,-0.4 2,-0.3 -0.868 17.0-158.7-103.4 133.1 2.9 8.8 23.6 20 20 A F E -R 49 0B 78 -2,-0.5 2,-0.3 29,-0.2 29,-0.2 -0.852 10.2-175.4-113.3 148.9 0.5 10.2 21.1 21 21 A Q E > +R 48 0B 52 27,-2.2 27,-1.4 -2,-0.3 3,-0.7 -0.917 59.8 3.4-136.2 156.7 0.9 13.1 18.6 22 22 A G E 3 S-R 47 0B 43 -2,-0.3 25,-0.3 25,-0.2 2,-0.3 -0.379 126.1 -33.5 65.0-139.7 -1.6 14.7 16.3 23 23 A N T 3 S+ 0 0 65 23,-1.9 2,-0.3 11,-0.2 13,-0.3 -0.424 96.9 124.3-116.9 58.4 -5.0 13.2 16.8 24 24 A A < + 0 0 7 -3,-0.7 2,-0.3 24,-0.3 10,-0.2 -0.875 27.4 139.6-112.4 144.5 -4.2 9.5 17.7 25 25 A S E -C 33 0A 36 8,-2.9 8,-2.3 -2,-0.3 2,-0.2 -0.961 51.8 -90.2-176.1 160.6 -5.5 7.8 20.9 26 26 A V E -C 32 0A 15 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.541 46.3-149.3 -79.7 147.2 -7.0 4.7 22.5 27 27 A I > - 0 0 44 4,-2.2 3,-1.8 -2,-0.2 -16,-0.1 -0.651 28.1 -95.7-116.1 174.3 -10.7 4.6 22.4 28 28 A E T 3 S+ 0 0 173 1,-0.3 -15,-0.1 -2,-0.2 -2,-0.0 0.749 120.4 61.9 -56.3 -32.3 -13.5 3.1 24.6 29 29 A T T 3 S- 0 0 107 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.313 121.1-109.6 -80.4 12.3 -13.7 -0.0 22.4 30 30 A G S < S+ 0 0 11 -3,-1.8 2,-0.3 1,-0.2 -19,-0.3 0.648 75.0 140.0 69.4 16.9 -10.1 -0.6 23.5 31 31 A V - 0 0 11 -21,-0.1 -4,-2.2 -6,-0.0 2,-1.1 -0.732 56.6-128.8 -96.6 138.5 -8.9 0.1 20.0 32 32 A L E -CD 26 228A 0 196,-2.3 196,-2.4 -2,-0.3 2,-0.6 -0.752 28.9-162.1 -84.4 101.4 -5.7 2.2 19.2 33 33 A Q E -CD 25 227A 30 -8,-2.3 -8,-2.9 -2,-1.1 194,-0.2 -0.795 11.5-170.2 -91.1 123.1 -7.0 4.8 16.8 34 34 A L + 0 0 0 192,-2.2 182,-0.6 -2,-0.6 13,-0.4 0.677 68.7 15.9 -84.7 -23.9 -4.3 6.5 14.7 35 35 A N - 0 0 0 191,-0.4 2,-0.3 11,-0.2 191,-0.2 -0.988 69.4-131.1-152.5 143.0 -6.3 9.3 13.1 36 36 A K - 0 0 89 -2,-0.3 2,-0.2 -13,-0.3 182,-0.1 -0.750 20.7-159.5 -97.1 146.8 -9.6 11.0 13.6 37 37 A V + 0 0 68 -2,-0.3 2,-0.2 186,-0.1 183,-0.0 -0.671 45.3 51.2-117.3 169.3 -12.2 11.6 10.9 38 38 A G S S- 0 0 36 -2,-0.2 3,-0.2 3,-0.0 186,-0.0 -0.680 91.1 -10.6 107.0-156.7 -15.1 14.0 10.5 39 39 A N S S+ 0 0 152 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 -0.160 109.3 36.5 -77.7 167.8 -15.4 17.7 11.0 40 40 A N S S+ 0 0 170 1,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.904 83.0 117.0 54.1 54.3 -12.8 20.1 12.6 41 41 A L S S- 0 0 37 -3,-0.2 -1,-0.2 4,-0.0 4,-0.1 -0.947 71.3-100.4-140.4 148.9 -9.6 18.5 11.3 42 42 A P - 0 0 77 0, 0.0 3,-0.1 0, 0.0 178,-0.1 -0.375 42.4-101.0 -69.9 160.4 -7.1 20.1 9.0 43 43 A D S S+ 0 0 103 1,-0.2 177,-2.2 176,-0.1 2,-0.6 0.863 122.0 40.9 -47.1 -40.6 -7.3 19.0 5.3 44 44 A E E S+ S 0 219B 68 175,-0.2 59,-0.4 60,-0.1 2,-0.3 -0.918 85.8 166.5-111.8 100.5 -4.3 16.7 6.0 45 45 A T E + S 0 218B 3 173,-0.7 173,-1.7 -2,-0.6 59,-0.7 -0.821 4.2 128.6-117.0 157.9 -4.9 15.1 9.5 46 46 A G E - S 0 217B 6 -2,-0.3 -23,-1.9 171,-0.2 2,-0.3 -0.980 32.5-124.9 175.9 177.5 -3.3 12.1 11.3 47 47 A G E -RS 22 216B 1 169,-2.1 169,-1.9 -13,-0.4 2,-0.3 -0.995 3.1-147.5-150.1 154.7 -1.7 10.8 14.4 48 48 A I E -RS 21 215B 1 -27,-1.4 -27,-2.2 -2,-0.3 2,-0.3 -0.893 11.5-177.4-118.5 144.6 1.3 9.0 15.8 49 49 A A E +RS 20 214B 0 165,-2.3 165,-2.6 -2,-0.3 2,-0.3 -0.902 13.3 173.4-143.7 111.9 1.4 6.6 18.7 50 50 A R E -RS 19 213B 3 -31,-2.1 -31,-2.1 -2,-0.3 163,-0.3 -0.862 41.4 -90.1-123.4 156.5 4.7 5.1 19.9 51 51 A Y E -R 18 0B 3 161,-2.6 161,-0.3 -2,-0.3 -33,-0.2 -0.425 39.5-128.2 -62.3 132.7 6.0 3.0 22.7 52 52 A I S S+ 0 0 55 -35,-2.1 -1,-0.1 -2,-0.1 -34,-0.1 0.781 89.2 68.0 -55.1 -32.5 7.0 5.3 25.6 53 53 A A S S- 0 0 0 -36,-0.3 159,-0.2 159,-0.1 2,-0.2 -0.784 86.3-121.9 -99.0 132.6 10.4 3.8 26.0 54 54 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 157,-0.2 -0.478 27.3-125.9 -70.4 137.5 13.1 4.2 23.3 55 55 A I E -X 210 0C 5 155,-3.6 155,-2.3 -2,-0.2 2,-1.2 -0.665 13.3-123.0 -86.7 141.5 14.5 0.9 21.8 56 56 A H E +X 209 0C 10 -2,-0.3 153,-0.2 153,-0.2 3,-0.1 -0.713 39.4 171.9 -84.2 95.9 18.3 0.2 21.7 57 57 A I + 0 0 2 151,-1.6 9,-1.8 -2,-1.2 2,-0.3 0.913 58.5 3.3 -78.2 -42.9 18.5 -0.4 18.0 58 58 A W B -Y 65 0D 29 150,-1.4 2,-0.7 7,-0.2 -1,-0.2 -1.000 63.2-129.9-147.9 147.9 22.3 -0.7 17.6 59 59 A N > - 0 0 23 5,-2.7 4,-2.4 -2,-0.3 5,-0.1 -0.843 9.7-163.6-101.8 114.9 25.4 -0.6 19.8 60 60 A C T 4 S+ 0 0 68 -2,-0.7 -1,-0.1 1,-0.2 148,-0.0 0.491 88.5 44.9 -73.8 -4.8 28.2 1.8 18.7 61 61 A N T 4 S+ 0 0 160 3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.786 123.6 30.0-104.1 -41.7 30.9 0.1 20.8 62 62 A T T 4 S- 0 0 95 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.801 95.5-135.3 -85.8 -27.8 30.3 -3.6 20.1 63 63 A G < + 0 0 37 -4,-2.4 -3,-0.1 1,-0.3 140,-0.1 0.310 53.1 150.3 88.0 -7.7 29.0 -2.9 16.6 64 64 A E - 0 0 76 -5,-0.1 -5,-2.7 -6,-0.1 2,-0.3 -0.220 33.8-152.1 -59.1 146.0 26.2 -5.4 17.4 65 65 A L B -Y 58 0D 24 172,-0.2 2,-0.5 -7,-0.2 174,-0.3 -0.913 13.1-124.7-122.3 144.8 22.8 -4.9 15.7 66 66 A A - 0 0 1 -9,-1.8 171,-0.3 -2,-0.3 2,-0.2 -0.813 13.9-148.0 -99.3 130.3 19.4 -5.9 17.1 67 67 A S E -E 236 0A 26 169,-2.1 169,-1.0 -2,-0.5 2,-0.3 -0.592 24.7-175.5 -87.2 152.7 17.0 -8.2 15.2 68 68 A F E -EF 235 174A 12 106,-1.8 106,-2.9 -2,-0.2 2,-0.3 -0.991 22.1-164.6-151.5 160.4 13.3 -7.6 15.8 69 69 A I E +EF 234 173A 51 165,-1.5 165,-1.8 -2,-0.3 2,-0.3 -0.994 11.2 177.3-144.7 141.3 9.8 -8.8 15.1 70 70 A T E -EF 233 172A 0 102,-2.0 102,-2.7 -2,-0.3 2,-0.3 -0.992 4.4-171.8-146.6 142.5 6.5 -7.1 15.6 71 71 A S E +EF 232 171A 36 161,-1.2 161,-2.2 -2,-0.3 2,-0.3 -0.991 11.1 158.8-138.1 146.1 3.0 -8.1 14.8 72 72 A F E - F 0 170A 2 98,-1.8 98,-3.2 -2,-0.3 2,-0.4 -0.975 29.0-136.2-161.5 152.2 -0.3 -6.3 14.9 73 73 A S E + F 0 169A 17 157,-0.3 156,-3.9 -2,-0.3 157,-0.8 -0.937 29.4 171.8-113.1 136.7 -3.8 -6.6 13.4 74 74 A F E -GF 228 168A 2 94,-2.2 94,-2.8 -2,-0.4 2,-0.3 -0.902 13.5-165.3-138.1 165.3 -5.5 -3.4 12.2 75 75 A F E -G 227 0A 11 152,-1.8 152,-2.2 -2,-0.3 2,-0.3 -0.924 11.5-140.6-144.5 164.3 -8.7 -2.6 10.3 76 76 A M E -G 226 0A 2 87,-0.4 87,-3.2 -2,-0.3 2,-0.4 -0.941 8.4-159.9-129.7 153.9 -9.9 0.6 8.5 77 77 A E E +G 225 0A 82 148,-1.9 148,-2.3 -2,-0.3 2,-0.3 -0.999 12.8 169.6-138.8 133.6 -13.3 2.2 8.2 78 78 A T E -G 224 0A 37 -2,-0.4 146,-0.2 146,-0.2 -2,-0.0 -0.978 24.5-154.9-140.6 149.4 -14.6 4.6 5.7 79 79 A S S S+ 0 0 127 144,-0.5 -1,-0.1 -2,-0.3 2,-0.1 0.855 79.4 28.0 -90.2 -43.6 -18.2 6.0 5.0 80 80 A A S S- 0 0 60 143,-0.4 5,-0.1 1,-0.2 -2,-0.0 -0.178 115.8 -3.8-103.5-164.6 -17.8 6.9 1.4 81 81 A N - 0 0 110 1,-0.1 3,-0.4 3,-0.1 -1,-0.2 0.043 54.6-172.1 -28.1 96.1 -15.8 5.8 -1.7 82 82 A P S > S+ 0 0 65 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.895 83.4 54.5 -61.9 -50.7 -13.3 3.0 -0.3 83 83 A K T 3 S+ 0 0 77 1,-0.3 -2,-0.1 46,-0.0 77,-0.1 0.748 114.8 44.0 -60.3 -21.7 -11.3 2.6 -3.5 84 84 A A T 3 S+ 0 0 19 -3,-0.4 -1,-0.3 45,-0.1 2,-0.1 0.344 88.5 121.7-105.2 4.4 -10.7 6.4 -3.3 85 85 A A < - 0 0 0 -3,-1.8 2,-0.2 -5,-0.1 138,-0.2 -0.416 55.0-107.0 -74.6 141.6 -10.0 6.6 0.5 86 86 A T - 0 0 2 136,-2.3 133,-0.4 133,-0.2 138,-0.2 -0.736 47.6 -26.8-114.9 160.1 -6.7 8.0 1.8 87 87 A D - 0 0 4 131,-0.3 41,-1.9 -2,-0.2 42,-0.6 -0.897 54.7-145.3-130.0 -23.2 -4.0 7.6 3.0 88 88 A G E -TU 127 217B 0 129,-1.5 129,-2.4 39,-0.2 2,-0.2 -0.728 20.9 -77.6 125.8-166.0 -3.1 4.7 5.3 89 89 A L E -TU 126 216B 0 37,-1.3 37,-2.1 -2,-0.2 2,-0.3 -0.751 29.8-155.4-131.5-179.9 -1.0 3.7 8.3 90 90 A T E -TU 125 215B 0 125,-1.9 125,-1.5 -2,-0.2 2,-0.5 -0.982 16.8-144.0-158.2 154.0 2.6 3.0 9.1 91 91 A F E -TU 124 214B 2 33,-1.0 33,-2.4 -2,-0.3 2,-0.3 -1.000 41.4-179.3-117.7 127.5 4.9 1.1 11.5 92 92 A F E -TU 123 213B 1 121,-1.6 121,-1.3 -2,-0.5 2,-0.4 -0.948 35.6-155.0-142.6 156.6 8.1 3.1 12.1 93 93 A L E +TU 122 212B 3 29,-1.8 29,-1.8 -2,-0.3 119,-0.2 -0.946 40.7 133.3-117.9 135.1 11.5 3.5 13.8 94 94 A A E - 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