==== 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 25-MAR-03 1OUW . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CALYSTEGIA SEPIUM; . AUTHOR Y.BOURNE,V.ROIG-ZAMBONI,A.BARRE,W.J.PEUMANS,C.H.ASTOUL,E.J.M . 602 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 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 . 310 51.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 61 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 3.0 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+4), SAME NUMBER PER 100 RESIDUES . 4 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 . 3 0 3 7 8 1 11 1 3 4 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 3 1 0 0 4 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 X 0 0 198 0, 0.0 161,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 158.6 2.1 4.3 32.7 2 3 A V - 0 0 10 159,-0.5 163,-0.1 1,-0.1 162,-0.1 -0.540 360.0-117.6 -60.6 120.7 5.8 3.7 33.1 3 4 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.281 28.8-165.3 -67.0 153.3 6.0 0.6 35.3 4 5 A M - 0 0 86 165,-0.1 2,-0.1 -3,-0.0 3,-0.1 -0.917 32.7 -93.2-130.7 151.9 7.6 0.6 38.7 5 6 A D - 0 0 19 -2,-0.3 144,-0.1 1,-0.1 2,-0.1 -0.417 52.9 -97.4 -68.3 145.6 8.6 -2.4 40.8 6 7 A T E -A 148 0A 99 142,-0.9 142,-2.2 -2,-0.1 2,-0.4 -0.379 35.4-137.1 -69.9 137.2 6.0 -3.5 43.3 7 8 A I E -A 147 0A 65 140,-0.2 2,-0.4 -2,-0.1 140,-0.2 -0.801 12.3-164.7 -95.4 132.1 6.2 -2.3 46.9 8 9 A S E -A 146 0A 40 138,-2.3 138,-2.1 -2,-0.4 3,-0.2 -0.945 51.6 -47.0-107.9 143.2 5.6 -4.4 50.0 9 10 A G E - 0 0 36 -2,-0.4 136,-0.2 1,-0.3 2,-0.2 -0.548 26.0-141.7 68.1-146.0 5.1 -2.5 53.2 10 11 A P E - 0 0 14 0, 0.0 143,-0.5 0, 0.0 2,-0.3 0.544 35.1-161.1 -62.3 154.4 6.6 -0.3 54.4 11 12 A W E +A 144 0A 62 133,-2.8 133,-2.5 -3,-0.2 2,-0.4 -0.829 51.9 44.6 -99.6 148.1 6.2 -1.7 57.9 12 13 A G E S-A 143 0A 28 -2,-0.3 131,-0.3 131,-0.2 2,-0.2 -0.942 88.3 -49.6 119.2-142.1 6.7 0.6 60.9 13 14 A N - 0 0 36 129,-2.8 129,-0.1 -2,-0.4 123,-0.0 -0.637 42.1 -98.7-136.0-179.2 5.4 4.1 61.5 14 15 A N S S+ 0 0 121 -2,-0.2 129,-0.1 139,-0.1 128,-0.0 0.313 76.7 115.1 -92.6 8.4 5.0 7.6 60.1 15 16 A G + 0 0 21 127,-0.2 127,-0.1 81,-0.2 122,-0.1 -0.099 64.3 14.2 -67.7 171.7 8.0 9.3 61.9 16 17 A G S S- 0 0 33 120,-0.1 2,-0.3 126,-0.1 122,-0.2 -0.134 97.4 -61.4 63.2-156.6 11.0 10.7 60.1 17 18 A N E -B 137 0A 56 120,-2.7 120,-2.3 1,-0.0 125,-0.2 -0.897 54.8 -87.9-129.0 159.6 11.1 11.4 56.4 18 19 A F E +B 136 0A 3 -2,-0.3 2,-0.3 118,-0.2 118,-0.3 -0.319 41.1 178.3 -68.2 146.4 10.8 9.2 53.4 19 20 A W E -B 135 0A 0 116,-2.3 116,-2.5 -2,-0.0 2,-0.3 -0.972 4.4-174.9-141.2 158.0 13.7 7.4 51.7 20 21 A S E +BC 134 173A 0 153,-1.9 153,-2.7 -2,-0.3 2,-0.3 -0.980 7.9 176.5-155.1 141.6 14.1 5.1 48.8 21 22 A F E +BC 133 172A 0 112,-3.0 112,-2.5 -2,-0.3 151,-0.2 -0.830 13.9 153.4-153.1 107.4 16.9 3.0 47.1 22 23 A R E - C 0 171A 11 149,-2.8 149,-2.0 -2,-0.3 110,-0.2 -0.873 25.7-166.5-133.2 92.8 16.4 0.7 44.2 23 24 A P - 0 0 0 0, 0.0 4,-0.1 0, 0.0 187,-0.1 -0.463 28.9-118.9 -80.0 161.3 19.7 0.5 42.3 24 25 A V S S+ 0 0 30 185,-0.4 2,-0.1 -2,-0.1 186,-0.1 0.858 96.5 47.8 -69.7 -36.2 20.0 -1.1 38.9 25 26 A N S S- 0 0 78 1,-0.1 2,-0.1 23,-0.1 25,-0.1 -0.408 106.7 -66.2-100.2 178.6 22.4 -3.8 39.9 26 27 A K - 0 0 61 -2,-0.1 2,-0.6 23,-0.1 23,-0.3 -0.387 39.8-120.9 -72.4 139.3 22.1 -6.1 42.9 27 28 A I + 0 0 6 103,-0.2 55,-0.3 21,-0.2 21,-0.3 -0.640 40.4 168.1 -70.9 115.4 22.4 -4.9 46.5 28 29 A N + 0 0 42 19,-1.7 48,-2.7 -2,-0.6 2,-0.3 0.478 53.9 43.7-115.1 -3.1 25.4 -7.0 47.7 29 30 A Q E -HI 47 75B 36 18,-1.6 18,-2.4 46,-0.2 2,-0.4 -0.997 51.9-176.8-146.7 139.5 26.2 -5.3 51.0 30 31 A I E -HI 46 74B 0 44,-2.1 44,-2.8 -2,-0.3 2,-0.5 -1.000 8.6-162.8-129.7 131.5 24.3 -4.1 54.0 31 32 A V E -HI 45 73B 26 14,-2.5 14,-2.4 -2,-0.4 2,-0.6 -0.970 5.1-158.6-113.2 125.7 25.9 -2.4 57.0 32 33 A I E -HI 44 72B 0 40,-3.2 40,-2.0 -2,-0.5 2,-0.4 -0.925 9.7-155.0-101.2 122.3 23.9 -2.2 60.2 33 34 A S E -HI 43 71B 10 10,-2.6 9,-3.1 -2,-0.6 10,-1.4 -0.845 9.1-158.3 -98.1 135.7 25.1 0.6 62.5 34 35 A Y E -HI 41 70B 11 36,-3.1 35,-2.1 -2,-0.4 36,-1.1 -0.794 7.7-170.5-113.0 153.0 24.4 0.3 66.3 35 36 A G E > > +H 40 0B 0 5,-2.0 3,-1.3 -2,-0.3 5,-0.8 -0.772 58.0 48.5-127.3 172.5 24.2 2.9 69.0 36 37 A G T 3 5S- 0 0 58 31,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.553 114.4 -79.4 81.0 9.5 24.0 3.0 72.8 37 38 A G T 3 5S+ 0 0 64 1,-0.3 -1,-0.3 30,-0.2 2,-0.2 0.617 111.9 70.1 69.4 15.6 26.9 0.5 73.3 38 39 A G T < 5S- 0 0 36 -3,-1.3 2,-1.1 2,-0.1 -1,-0.3 -0.609 105.2 -57.9-140.1-159.1 24.5 -2.3 72.6 39 40 A N T 5S+ 0 0 62 -2,-0.2 76,-0.6 -3,-0.1 -3,-0.1 -0.298 78.7 131.5 -86.2 43.6 22.5 -4.1 70.0 40 41 A N E < -H 35 0B 17 -2,-1.1 -5,-2.0 -5,-0.8 2,-0.1 -0.854 51.0-141.1-109.5 101.5 20.4 -1.1 69.0 41 42 A P E +H 34 0B 4 0, 0.0 100,-0.3 0, 0.0 -7,-0.3 -0.420 30.7 163.1 -64.4 130.7 20.2 -0.5 65.2 42 43 A I E + 0 0 1 -9,-3.1 20,-1.3 1,-0.4 2,-0.3 0.573 62.2 15.0-118.1 -23.8 20.3 3.2 64.4 43 44 A A E -HJ 33 61B 3 -10,-1.4 -10,-2.6 18,-0.3 2,-0.4 -0.993 54.8-151.5-152.8 155.2 21.2 3.2 60.7 44 45 A L E -HJ 32 60B 1 16,-2.5 16,-2.7 -2,-0.3 2,-0.5 -0.990 8.0-162.9-127.9 133.9 21.2 0.9 57.6 45 46 A T E -HJ 31 59B 23 -14,-2.4 -14,-2.5 -2,-0.4 2,-0.4 -0.981 7.3-170.2-117.9 120.2 23.5 1.3 54.7 46 47 A F E +HJ 30 58B 0 12,-2.0 12,-1.9 -2,-0.5 2,-0.3 -0.910 11.2 176.4-106.4 136.7 22.6 -0.5 51.4 47 48 A S E -HJ 29 57B 1 -18,-2.4 -19,-1.7 -2,-0.4 -18,-1.6 -0.988 23.2-157.6-143.0 155.2 25.1 -0.7 48.6 48 49 A S E - J 0 56B 0 8,-2.4 8,-2.5 -2,-0.3 2,-0.5 -0.980 12.6-158.1-131.1 115.3 25.5 -2.2 45.2 49 50 A T E - J 0 55B 64 -2,-0.4 6,-0.2 -23,-0.3 2,-0.2 -0.826 15.8-149.4 -97.6 131.0 29.0 -2.7 43.7 50 51 A K > - 0 0 31 4,-2.7 3,-2.0 -2,-0.5 -1,-0.0 -0.505 28.1-105.0 -98.5 164.1 29.1 -2.9 40.0 51 52 A A T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.798 120.5 58.7 -54.3 -33.6 31.4 -4.8 37.6 52 53 A D T 3 S- 0 0 124 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.334 119.6-110.1 -81.5 3.6 33.1 -1.4 36.8 53 54 A G S < S+ 0 0 57 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.281 76.8 126.3 89.7 -6.6 34.0 -0.9 40.5 54 55 A S - 0 0 43 -5,-0.1 -4,-2.7 1,-0.0 2,-0.4 -0.385 47.7-144.1 -78.6 159.0 31.6 1.9 41.3 55 56 A K E -J 49 0B 92 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.990 7.0-152.9-130.1 123.8 29.2 1.6 44.2 56 57 A D E +J 48 0B 2 -8,-2.5 -8,-2.4 -2,-0.4 2,-0.3 -0.775 34.1 170.9 -82.8 141.7 25.7 2.9 44.5 57 58 A T E -JK 47 207B 24 150,-2.3 150,-2.2 -2,-0.4 2,-0.3 -1.000 25.3-175.6-157.0 148.1 24.9 3.5 48.2 58 59 A I E -J 46 0B 0 -12,-1.9 -12,-2.0 -2,-0.3 2,-0.4 -0.988 9.7-158.6-141.6 145.0 22.5 5.0 50.7 59 60 A T E -J 45 0B 51 -2,-0.3 116,-0.4 -14,-0.2 2,-0.4 -0.996 13.9-173.5-120.2 129.6 22.6 5.4 54.5 60 61 A V E +J 44 0B 0 -16,-2.7 -16,-2.5 -2,-0.4 81,-0.1 -0.953 54.8 17.1-127.0 141.6 19.2 5.8 56.2 61 62 A G E S+J 43 0B 10 -2,-0.4 79,-0.3 -18,-0.2 -18,-0.3 -0.287 79.1 94.6 79.8 179.4 18.9 6.6 59.9 62 63 A G + 0 0 37 77,-1.9 77,-0.2 -20,-1.3 78,-0.2 0.678 44.9 133.7 74.3 18.2 21.9 7.9 61.9 63 64 A G + 0 0 57 75,-1.9 76,-0.3 -21,-0.2 77,-0.1 0.520 53.9 72.7 -78.4 -8.0 20.8 11.5 61.4 64 65 A G S S- 0 0 18 75,-0.4 74,-0.0 74,-0.2 0, 0.0 -0.288 99.0 -90.5-102.6-174.8 21.3 12.4 65.1 65 66 A P S S+ 0 0 114 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.540 77.1 131.4 -75.4 -8.1 24.3 13.1 67.4 66 67 A D - 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