==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 30-SEP-05 2D3P . COMPND 2 MOLECULE: LECTIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRATYLIA ARGENTEA; . AUTHOR F.G.GALLEGO DEL SOL,B.S.CAVADA,J.J.CALVETE . 944 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 641 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 . 402 42.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 105 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 1.5 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 . 1 15 0 4 12 8 11 3 4 0 4 0 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 3 1 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 A 0 0 138 0, 0.0 2,-0.1 0, 0.0 217,-0.1 0.000 360.0 360.0 360.0-166.7 6.0 14.8 69.1 2 2 A D - 0 0 52 217,-0.1 2,-0.6 229,-0.1 212,-0.1 -0.445 360.0-147.6 -66.2 144.0 4.4 12.1 66.9 3 3 A T - 0 0 38 -2,-0.1 2,-0.4 2,-0.0 212,-0.2 -0.944 24.5-167.9-114.6 105.4 3.1 9.0 68.8 4 4 A I + 0 0 2 -2,-0.6 26,-2.4 210,-0.1 2,-0.4 -0.758 24.6 178.3-105.7 136.9 3.5 6.1 66.5 5 5 A V E +AB 29 213A 4 208,-1.9 208,-3.2 -2,-0.4 2,-0.3 -0.992 29.7 168.9-123.9 130.1 2.2 2.5 66.7 6 6 A A E -AB 28 212A 2 22,-3.1 22,-3.5 -2,-0.4 2,-0.5 -0.971 40.9-143.9-144.7 152.4 3.3 0.5 63.6 7 7 A V E -AB 27 211A 2 204,-3.3 204,-2.4 -2,-0.3 2,-0.4 -0.987 33.2-156.0-112.6 118.8 3.6 -2.8 61.9 8 8 A E E -AB 26 210A 0 18,-2.6 18,-1.9 -2,-0.5 2,-0.7 -0.767 21.8-160.1-101.2 137.3 6.9 -3.0 59.9 9 9 A L E -AB 25 209A 0 200,-3.3 200,-1.5 -2,-0.4 2,-0.6 -0.852 29.3-162.1-106.7 87.3 7.7 -5.1 56.9 10 10 A D E +AB 24 208A 2 14,-2.5 14,-1.9 -2,-0.7 198,-0.2 -0.658 21.7 175.0 -89.8 114.8 11.5 -4.7 57.3 11 11 A T + 0 0 2 196,-1.4 194,-0.3 -2,-0.6 197,-0.2 0.577 65.8 51.7 -96.1 -12.0 13.4 -5.6 54.2 12 12 A Y S S- 0 0 69 195,-0.8 2,-0.8 10,-0.1 -1,-0.2 -0.981 78.9-129.7-133.3 120.4 16.9 -4.6 55.4 13 13 A P - 0 0 36 0, 0.0 2,-1.1 0, 0.0 3,-0.1 -0.544 22.0-179.8 -69.2 101.5 18.6 -5.7 58.7 14 14 A N > > + 0 0 15 -2,-0.8 3,-2.2 1,-0.2 5,-1.3 -0.652 8.4 173.5 -98.2 77.0 20.0 -2.7 60.5 15 15 A T G > 5 + 0 0 73 -2,-1.1 3,-1.3 1,-0.3 -1,-0.2 0.705 68.2 69.5 -63.2 -19.9 21.4 -4.8 63.4 16 16 A D G 3 5S+ 0 0 114 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.327 102.9 45.1 -83.2 7.9 23.1 -1.8 64.9 17 17 A I G < 5S- 0 0 8 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 -0.026 132.4 -84.2-134.6 32.3 19.6 -0.4 65.8 18 18 A G T < 5S+ 0 0 52 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.139 80.9 141.9 95.8 -18.4 18.1 -3.6 67.2 19 19 A D < - 0 0 9 -5,-1.3 -1,-0.3 1,-0.1 -2,-0.1 -0.240 55.7-115.8 -52.3 143.0 16.9 -5.1 63.9 20 20 A P - 0 0 22 0, 0.0 2,-0.9 0, 0.0 4,-0.1 -0.231 36.1 -95.4 -70.7 173.7 17.4 -8.9 64.0 21 21 A N S S+ 0 0 122 -6,-0.1 2,-0.3 -7,-0.1 -2,-0.0 -0.288 100.4 47.3 -93.0 54.5 19.9 -10.3 61.4 22 22 A Y S S- 0 0 78 -2,-0.9 2,-0.1 -12,-0.0 -10,-0.1 -0.938 102.0 -70.8-169.5 162.0 17.4 -11.2 58.7 23 23 A Q + 0 0 47 -2,-0.3 17,-2.7 -12,-0.2 2,-0.3 -0.450 66.6 167.8 -61.5 141.8 14.4 -9.7 57.0 24 24 A H E -AC 10 39A 0 -14,-1.9 -14,-2.5 15,-0.3 2,-0.4 -0.957 41.1-123.4-152.7 158.6 11.5 -9.5 59.4 25 25 A I E -AC 9 38A 0 13,-2.0 13,-1.9 -2,-0.3 2,-0.3 -0.898 40.1-176.5-103.1 147.9 8.0 -8.2 60.3 26 26 A G E -AC 8 37A 0 -18,-1.9 -18,-2.6 -2,-0.4 2,-0.5 -0.986 30.1-127.7-146.1 154.9 7.9 -6.3 63.6 27 27 A I E -AC 7 36A 0 9,-2.2 8,-2.3 -2,-0.3 9,-1.0 -0.909 29.0-162.4 -99.7 122.3 5.5 -4.6 66.0 28 28 A N E -A 6 0A 0 -22,-3.5 -22,-3.1 -2,-0.5 2,-0.6 -0.939 14.3-178.2-112.5 121.6 6.6 -1.0 66.8 29 29 A I E S-A 5 0A 12 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.904 79.0 -38.7-111.9 98.2 5.3 0.9 69.8 30 30 A K S S+ 0 0 120 -26,-2.4 2,-0.3 -2,-0.6 -25,-0.1 0.543 125.4 71.2 70.5 10.8 6.9 4.4 69.8 31 31 A S S S- 0 0 11 -27,-0.1 -2,-0.2 1,-0.1 4,-0.1 -0.988 77.1-131.3-154.6 143.1 10.3 3.2 68.6 32 32 A I S S+ 0 0 1 202,-0.4 2,-1.1 -2,-0.3 -1,-0.1 0.838 94.5 89.0 -60.2 -31.2 11.9 1.9 65.5 33 33 A R S S- 0 0 101 202,-0.2 -4,-0.3 -3,-0.1 -15,-0.1 -0.595 88.9-131.6 -68.7 100.6 13.3 -0.9 67.9 34 34 A S - 0 0 29 -2,-1.1 -6,-0.2 1,-0.1 3,-0.1 -0.168 9.7-143.3 -58.7 143.4 10.4 -3.3 67.6 35 35 A K S S+ 0 0 104 -8,-2.3 2,-0.3 1,-0.2 -7,-0.1 0.728 90.3 15.5 -75.6 -25.8 8.8 -4.8 70.7 36 36 A A E S-C 27 0A 22 -9,-1.0 -9,-2.2 41,-0.1 2,-0.3 -0.994 70.1-179.7-145.6 147.3 8.4 -8.1 68.8 37 37 A T E -C 26 0A 53 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.960 9.1-165.5-140.6 161.0 9.8 -9.5 65.6 38 38 A T E -C 25 0A 48 -13,-1.9 -13,-2.0 -2,-0.3 2,-0.2 -0.983 36.3-101.0-141.7 143.3 9.5 -12.6 63.4 39 39 A R E -C 24 0A 140 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.443 44.5-176.5 -60.7 130.9 11.7 -13.8 60.6 40 40 A W - 0 0 4 -17,-2.7 2,-0.9 -2,-0.2 -17,-0.1 -0.999 21.1-140.1-137.8 133.0 10.1 -13.0 57.3 41 41 A N - 0 0 98 -2,-0.4 -30,-0.1 -19,-0.1 -17,-0.1 -0.805 17.7-143.1 -99.9 99.5 11.2 -13.9 53.8 42 42 A V - 0 0 22 -2,-0.9 2,-0.6 -32,-0.1 -19,-0.1 -0.235 6.9-146.1 -44.7 135.9 10.6 -11.2 51.2 43 43 A Q > - 0 0 67 3,-0.2 3,-2.3 155,-0.1 155,-0.3 -0.870 18.1-136.2-112.9 97.7 9.6 -12.5 47.8 44 44 A D T 3 S+ 0 0 64 -2,-0.6 155,-0.3 1,-0.3 3,-0.1 -0.254 86.0 7.2 -52.4 129.1 11.2 -10.1 45.3 45 45 A G T 3 S+ 0 0 23 153,-2.0 2,-0.3 1,-0.2 -1,-0.3 0.406 103.4 117.1 78.7 0.6 8.6 -9.2 42.6 46 46 A K < - 0 0 117 -3,-2.3 152,-0.6 152,-0.5 2,-0.5 -0.806 67.3-117.8-106.9 144.0 5.6 -11.0 44.2 47 47 A V E -G 197 0B 63 -2,-0.3 2,-0.2 150,-0.1 150,-0.2 -0.660 39.6-176.8 -75.0 121.8 2.3 -9.6 45.5 48 48 A G E -G 196 0B 0 148,-2.0 148,-2.2 -2,-0.5 2,-0.4 -0.733 14.9-140.0-116.3 168.3 2.0 -10.2 49.3 49 49 A T E -GH 195 66B 1 17,-2.6 17,-2.3 146,-0.2 2,-0.4 -0.990 6.2-161.4-133.7 135.9 -0.7 -9.4 51.8 50 50 A A E -GH 194 65B 0 144,-2.6 144,-1.7 -2,-0.4 2,-0.4 -0.944 1.8-166.7-113.9 140.8 -0.6 -8.2 55.4 51 51 A H E -GH 193 64B 12 13,-2.0 13,-2.2 -2,-0.4 2,-0.4 -0.994 10.1-169.2-124.5 120.1 -3.5 -8.6 57.9 52 52 A I E -GH 192 63B 2 140,-3.6 140,-2.8 -2,-0.4 2,-0.3 -0.911 7.3-175.3-116.6 140.6 -3.2 -6.5 61.0 53 53 A S E +GH 191 62B 13 9,-2.7 9,-2.5 -2,-0.4 2,-0.3 -0.993 13.3 165.8-144.3 136.4 -5.5 -6.9 64.1 54 54 A Y E +G 190 0B 14 136,-2.5 136,-2.0 -2,-0.3 2,-0.3 -0.996 5.8 179.6-151.5 150.7 -6.3 -5.5 67.5 55 55 A N E >> -G 189 0B 18 -2,-0.3 4,-2.8 5,-0.3 5,-0.6 -0.964 26.1-140.1-152.2 124.9 -9.0 -5.7 70.1 56 56 A S T 45S+ 0 0 4 132,-2.2 133,-0.1 -2,-0.3 26,-0.1 0.642 102.5 51.2 -68.1 -17.2 -9.1 -3.8 73.4 57 57 A V T 45S+ 0 0 10 131,-0.1 -1,-0.2 1,-0.1 717,-0.1 0.949 117.4 37.6 -78.3 -55.0 -10.4 -6.8 75.4 58 58 A A T 45S- 0 0 12 2,-0.1 -2,-0.2 713,-0.1 -1,-0.1 0.800 91.2-154.9 -60.8 -35.2 -7.8 -9.3 74.1 59 59 A K T <5 + 0 0 73 -4,-2.8 20,-1.9 1,-0.2 2,-0.5 0.822 48.8 128.2 57.4 36.1 -5.1 -6.6 74.2 60 60 A R E < - I 0 78B 27 -5,-0.6 2,-0.5 18,-0.2 -5,-0.3 -0.974 44.9-161.4-126.1 113.4 -3.1 -8.4 71.6 61 61 A L E + I 0 77B 2 16,-2.1 16,-1.9 -2,-0.5 2,-0.4 -0.845 23.7 176.1 -88.9 124.0 -1.9 -6.5 68.4 62 62 A S E -HI 53 76B 0 -9,-2.5 -9,-2.7 -2,-0.5 2,-0.4 -0.971 17.4-169.6-136.1 147.4 -1.0 -9.1 65.8 63 63 A A E -HI 52 75B 0 12,-2.6 12,-2.3 -2,-0.4 2,-0.4 -0.990 2.5-166.4-132.1 141.7 0.1 -9.1 62.1 64 64 A I E -HI 51 74B 7 -13,-2.2 -13,-2.0 -2,-0.4 2,-0.5 -0.995 2.4-165.4-124.3 137.5 0.4 -11.8 59.5 65 65 A V E +HI 50 73B 0 8,-3.0 8,-1.8 -2,-0.4 2,-0.3 -0.957 18.2 171.8-122.6 116.3 2.2 -11.5 56.2 66 66 A S E -HI 49 72B 3 -17,-2.3 -17,-2.6 -2,-0.5 6,-0.2 -0.849 20.4-163.5-123.8 158.2 1.6 -14.1 53.5 67 67 A Y E >> - I 0 71B 3 4,-1.6 4,-1.6 -2,-0.3 3,-0.9 -0.944 43.9 -85.0-129.0 150.5 2.4 -14.8 49.9 68 68 A P T 34 S+ 0 0 80 0, 0.0 -1,-0.0 0, 0.0 760,-0.0 -0.149 109.9 45.6 -53.9 152.9 0.6 -17.3 47.6 69 69 A G T 34 S- 0 0 97 1,-0.1 -3,-0.0 -3,-0.0 0, 0.0 0.498 131.1 -64.4 87.3 3.2 1.9 -20.9 47.8 70 70 A G T <4 S+ 0 0 74 -3,-0.9 2,-0.7 1,-0.2 -1,-0.1 0.822 83.5 140.8 99.9 39.6 2.0 -21.0 51.6 71 71 A S E < +I 67 0B 36 -4,-1.6 -4,-1.6 2,-0.0 2,-0.4 -0.893 22.2 156.5-114.9 99.7 4.6 -18.6 52.9 72 72 A S E -I 66 0B 68 -2,-0.7 2,-0.4 -6,-0.2 -6,-0.2 -0.937 21.2-172.2-122.1 148.1 3.3 -16.8 56.0 73 73 A A E -I 65 0B 9 -8,-1.8 -8,-3.0 -2,-0.4 2,-0.4 -0.996 10.5-165.3-132.9 139.7 5.0 -15.1 58.9 74 74 A T E +I 64 0B 60 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.953 9.6 176.5-126.7 145.9 3.2 -13.9 62.0 75 75 A V E +I 63 0B 4 -12,-2.3 -12,-2.6 -2,-0.4 2,-0.3 -0.977 7.6 169.2-138.4 150.2 4.2 -11.6 64.8 76 76 A S E -I 62 0B 43 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.989 14.0-160.3-162.6 168.3 2.3 -10.3 67.8 77 77 A Y E -I 61 0B 79 -16,-1.9 -16,-2.1 -2,-0.3 2,-0.8 -0.994 24.3-122.2-154.9 131.0 2.6 -8.4 71.1 78 78 A D E +I 60 0B 90 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.703 52.6 143.3 -81.3 112.6 0.6 -8.0 74.3 79 79 A V - 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