==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 14-MAY-11 3S18 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CICER ARIETINUM; . AUTHOR S.URVASHI,C.G.SURESH . 448 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 64.1 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 . 156 34.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 24 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 8 2 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 . 0 8 0 6 6 8 0 0 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 4 4 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 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 4 A G 0 0 51 0, 0.0 222,-2.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 77.9 37.2 -5.2 28.9 2 5 A Y - 0 0 72 220,-0.2 18,-0.5 1,-0.1 2,-0.2 -0.448 360.0 -48.5-106.3-176.5 35.5 -6.6 25.8 3 6 A I E +A 19 0A 6 184,-0.3 16,-0.2 -2,-0.2 184,-0.2 -0.406 53.9 175.5 -57.6 119.4 32.6 -5.4 23.7 4 7 A N E - 0 0 64 14,-3.1 2,-0.3 1,-0.3 15,-0.2 0.667 62.2 -1.2-102.1 -24.4 29.7 -4.7 26.2 5 8 A A E +A 18 0A 1 13,-1.2 13,-3.1 58,-0.1 -1,-0.3 -0.974 59.8 175.8-159.6 163.0 27.1 -3.2 23.9 6 9 A A E -A 17 0A 1 167,-0.5 2,-0.3 58,-0.3 58,-0.3 -0.970 6.7-167.4-163.9 156.1 26.5 -2.3 20.2 7 10 A F E -A 16 0A 0 9,-1.6 9,-2.3 -2,-0.3 2,-0.4 -0.982 29.9-107.5-148.6 156.4 23.8 -1.1 17.7 8 11 A R E -A 15 0A 50 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.648 34.3-134.2 -81.6 126.6 23.4 -0.8 14.0 9 12 A S - 0 0 1 5,-2.1 5,-0.2 -2,-0.4 4,-0.1 -0.443 15.8-123.9 -72.8 156.0 23.7 2.7 12.6 10 13 A S S S+ 0 0 56 -2,-0.1 2,-0.3 59,-0.1 -1,-0.1 0.738 93.5 92.4 -66.0 -27.3 21.2 4.0 10.0 11 14 A R S > S- 0 0 111 1,-0.1 3,-1.8 2,-0.0 -2,-0.2 -0.559 98.3 -95.4 -69.0 130.2 24.3 4.6 7.9 12 15 A N T 3 S- 0 0 113 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.149 100.8 -1.8 -50.6 134.8 25.0 1.6 5.6 13 16 A N T 3 S+ 0 0 42 1,-0.2 15,-1.5 -4,-0.1 16,-0.6 0.616 103.8 125.0 58.9 19.5 27.5 -1.0 7.0 14 17 A E E < + B 0 27A 25 -3,-1.8 -5,-2.1 -5,-0.2 2,-0.3 -0.804 32.5 174.5-113.1 149.0 28.2 1.1 10.1 15 18 A A E -AB 8 26A 0 11,-1.9 11,-2.9 -2,-0.3 2,-0.5 -0.991 25.8-132.9-153.7 144.2 27.9 0.1 13.8 16 19 A Y E -AB 7 25A 9 -9,-2.3 -9,-1.6 -2,-0.3 2,-0.4 -0.883 22.3-164.9-101.5 128.8 28.7 1.6 17.2 17 20 A L E -AB 6 24A 0 7,-2.7 7,-2.1 -2,-0.5 2,-0.5 -0.958 5.7-151.1-117.7 133.3 30.5 -0.6 19.7 18 21 A F E +AB 5 23A 1 -13,-3.1 -14,-3.1 -2,-0.4 -13,-1.2 -0.895 16.5 174.3-111.6 129.1 30.8 0.2 23.4 19 22 A I E > -AB 3 22A 1 3,-2.1 3,-2.9 -2,-0.5 -16,-0.1 -0.992 62.7 -46.6-136.9 121.8 33.7 -0.9 25.5 20 23 A N T 3 S- 0 0 62 -18,-0.5 41,-0.5 -2,-0.4 -16,-0.0 -0.354 122.7 -26.0 49.3-121.5 34.1 0.1 29.1 21 24 A D T 3 S+ 0 0 43 39,-0.2 23,-2.4 -2,-0.1 24,-0.4 0.182 128.9 76.0-103.9 16.8 33.4 3.9 29.1 22 25 A K E < -BC 19 43A 56 -3,-2.9 -3,-2.1 21,-0.3 2,-0.3 -0.643 59.4-158.2-120.0 172.8 34.4 4.4 25.5 23 26 A Y E -BC 18 42A 14 19,-2.1 19,-1.8 -5,-0.2 2,-0.3 -0.974 4.0-153.2-146.4 162.3 33.0 3.6 22.1 24 27 A V E -B 17 0A 0 -7,-2.1 -7,-2.7 -2,-0.3 2,-0.6 -0.990 13.4-140.0-131.7 144.6 34.2 3.1 18.5 25 28 A L E -BC 16 39A 9 14,-2.2 13,-3.3 -2,-0.3 14,-1.4 -0.940 32.1-168.8-102.1 123.8 32.3 3.7 15.2 26 29 A L E -BC 15 37A 0 -11,-2.9 -11,-1.9 -2,-0.6 2,-0.8 -0.862 35.1-147.1-117.4 140.1 33.1 0.9 12.8 27 30 A D E -BC 14 36A 50 9,-3.1 9,-2.5 -2,-0.4 -13,-0.2 -0.942 28.0-174.7 -90.8 104.4 32.6 0.2 9.1 28 31 A Y - 0 0 5 -15,-1.5 4,-0.3 -2,-0.8 7,-0.3 0.442 14.5-153.0 -88.1 0.4 32.2 -3.5 9.9 29 32 A A > - 0 0 14 -16,-0.6 3,-1.1 5,-0.2 6,-0.2 0.783 17.3-130.7 27.9 82.5 32.1 -4.5 6.2 30 33 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.350 85.7 21.2 -62.9 133.7 30.0 -7.7 6.4 31 34 A G T 3 S+ 0 0 64 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.669 124.7 43.2 83.8 20.8 31.5 -10.7 4.5 32 35 A T S < S- 0 0 72 -3,-1.1 -1,-0.3 -4,-0.3 3,-0.1 -0.878 77.6-116.7-168.2-167.6 35.1 -9.3 4.4 33 36 A S S S+ 0 0 48 -2,-0.2 -4,-0.1 1,-0.1 -5,-0.0 -0.030 75.1 111.7 177.1 74.6 37.7 -7.6 6.6 34 37 A N + 0 0 119 -7,-0.1 -5,-0.2 181,-0.1 -1,-0.1 -0.748 48.4 149.1 79.8 -35.8 38.2 -4.8 5.2 35 38 A D - 0 0 12 -7,-0.3 2,-0.3 178,-0.2 -7,-0.2 -0.396 26.7-168.5 -61.0 147.0 36.5 -3.6 8.4 36 39 A K E -C 27 0A 125 -9,-2.5 -9,-3.1 179,-0.1 2,-0.4 -0.998 25.5-118.5-148.6 134.5 37.8 -0.2 9.4 37 40 A V E +C 26 0A 35 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.622 26.4 179.8 -72.7 125.6 37.5 2.1 12.4 38 41 A L E + 0 0 68 -13,-3.3 2,-0.3 -2,-0.4 -12,-0.2 0.772 67.1 2.0 -95.8 -32.3 35.8 5.4 11.5 39 42 A Y E S-C 25 0A 120 -14,-1.4 -14,-2.2 3,-0.0 -1,-0.4 -0.985 92.1 -31.1-154.4 149.9 35.9 7.2 14.8 40 43 A G E - 0 0 30 -2,-0.3 -16,-0.2 1,-0.3 2,-0.1 -0.251 19.4-145.0 84.0-172.5 37.3 6.5 18.3 41 44 A P E S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.364 71.7 141.6 -66.2 134.1 38.1 4.8 20.6 42 45 A S E -C 23 0A 20 -19,-1.8 -19,-2.1 -3,-0.1 -3,-0.0 -0.973 57.8 -83.4-144.8 159.9 36.9 7.8 22.6 43 46 A F E >> -C 22 0A 62 -2,-0.3 4,-2.2 -21,-0.2 3,-0.8 -0.352 32.2-130.9 -62.5 140.3 35.0 8.4 25.8 44 47 A V H 3> S+ 0 0 0 -23,-2.4 4,-2.6 1,-0.2 7,-0.2 0.900 111.1 56.7 -54.2 -40.4 31.2 8.3 25.5 45 48 A R H 34 S+ 0 0 88 12,-0.6 -1,-0.2 -24,-0.4 7,-0.2 0.741 108.5 46.0 -68.7 -22.8 31.1 11.6 27.3 46 49 A D H <4 S+ 0 0 104 -3,-0.8 -1,-0.2 11,-0.1 -2,-0.2 0.879 118.7 38.9 -82.0 -44.3 33.4 13.2 24.7 47 50 A G H < S+ 0 0 21 -4,-2.2 2,-0.6 1,-0.2 -2,-0.2 0.740 116.8 51.1 -80.7 -26.0 31.6 11.9 21.6 48 51 A Y >< - 0 0 7 -4,-2.6 3,-1.6 -5,-0.2 4,-0.4 -0.826 62.7-175.5-117.6 91.7 28.1 12.3 22.9 49 52 A K G > S+ 0 0 138 -2,-0.6 3,-1.2 1,-0.3 4,-0.3 0.830 84.1 58.2 -48.3 -41.4 27.6 15.8 24.2 50 53 A S G 3 S+ 0 0 33 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.721 107.5 47.6 -69.5 -20.0 24.1 15.0 25.4 51 54 A L G X S+ 0 0 0 -3,-1.6 3,-1.4 -7,-0.2 6,-0.8 0.395 80.7 104.9 -97.3 2.5 25.4 12.2 27.7 52 55 A A T < S+ 0 0 31 -3,-1.2 2,-0.2 -4,-0.4 -1,-0.1 0.861 86.0 34.6 -58.4 -46.4 28.3 14.1 29.3 53 56 A K T 3 S+ 0 0 93 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.3 -0.262 104.4 91.2-106.1 47.8 26.8 14.8 32.7 54 57 A T S <> S- 0 0 7 -3,-1.4 4,-1.7 -2,-0.2 3,-0.3 -0.839 90.8-102.7-132.3 165.7 24.9 11.5 33.0 55 58 A I H > S+ 0 0 3 -2,-0.3 4,-3.0 1,-0.2 5,-0.5 0.819 122.9 58.3 -58.7 -31.6 25.7 8.0 34.4 56 59 A F H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.875 105.4 48.9 -64.7 -39.1 26.1 6.9 30.8 57 60 A G H 4 S+ 0 0 0 -6,-0.8 -12,-0.6 -3,-0.3 -2,-0.2 0.845 117.0 42.5 -68.6 -34.9 28.9 9.5 30.3 58 61 A T H < S+ 0 0 28 -4,-1.7 -2,-0.2 -7,-0.2 -1,-0.2 0.919 132.9 15.3 -76.3 -47.2 30.6 8.4 33.5 59 62 A Y H < S- 0 0 41 -4,-3.0 -3,-0.2 1,-0.3 2,-0.2 0.603 99.1-129.0-110.8 -12.7 30.3 4.6 33.2 60 63 A G < - 0 0 0 -4,-1.7 2,-0.5 -5,-0.5 -1,-0.3 -0.528 36.4 -55.4 93.2-164.0 29.4 3.9 29.6 61 64 A I - 0 0 2 -41,-0.5 15,-0.2 -39,-0.2 -57,-0.2 -0.968 35.1-176.9-128.9 118.5 26.7 1.7 28.1 62 65 A D S S+ 0 0 26 13,-2.0 2,-0.3 -2,-0.5 14,-0.2 0.531 72.5 14.0-101.7 -3.5 26.2 -1.9 28.9 63 66 A C E +D 75 0B 0 12,-0.8 12,-2.1 -58,-0.1 2,-0.3 -0.955 66.9 151.4-159.3 147.3 23.4 -2.7 26.5 64 67 A S E -D 74 0B 2 -2,-0.3 56,-0.4 -58,-0.3 -58,-0.3 -0.983 16.9-167.6-166.4 173.0 21.6 -1.2 23.5 65 68 A F E -D 73 0B 1 8,-1.7 8,-2.4 -2,-0.3 2,-0.2 -0.934 27.8-115.2-161.7 142.4 19.7 -1.6 20.3 66 69 A D E -D 72 0B 10 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.485 26.8-179.2 -75.8 147.9 18.7 0.6 17.4 67 70 A T - 0 0 4 4,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.661 52.9 -35.1-107.7 -84.0 15.0 1.3 16.9 68 71 A E S > S- 0 0 60 59,-0.0 3,-1.9 0, 0.0 -1,-0.3 -0.962 101.8 -10.5-147.5 156.8 14.2 3.4 13.9 69 72 A Y T 3 S- 0 0 185 -2,-0.3 -59,-0.1 1,-0.3 -2,-0.0 -0.295 127.6 -24.7 51.7-124.4 15.7 6.4 12.1 70 73 A N T 3 S+ 0 0 55 -61,-0.1 15,-2.1 -60,-0.1 16,-0.6 -0.098 112.3 109.7-108.7 34.1 18.6 7.8 14.1 71 74 A E E < + E 0 84B 58 -3,-1.9 -4,-2.0 13,-0.2 2,-0.3 -0.785 36.1 168.4-113.3 153.7 17.3 6.5 17.5 72 75 A A E -DE 66 83B 0 11,-1.9 11,-2.8 -2,-0.3 2,-0.4 -0.976 32.1-122.2-155.9 148.4 18.5 3.8 19.9 73 76 A F E -DE 65 82B 13 -8,-2.4 -8,-1.7 -2,-0.3 2,-0.3 -0.808 31.0-166.7 -89.7 136.8 17.8 2.7 23.4 74 77 A I E -DE 64 81B 0 7,-2.6 7,-2.0 -2,-0.4 2,-0.3 -0.923 2.9-163.0-124.8 152.0 20.9 2.7 25.6 75 78 A F E +DE 63 80B 0 -12,-2.1 -13,-2.0 -2,-0.3 -12,-0.8 -0.933 20.8 178.7-134.1 153.7 21.3 1.0 29.1 76 79 A Y E > S- E 0 79B 27 3,-2.4 3,-2.1 -2,-0.3 -15,-0.1 -0.793 70.2 -51.2-153.3 117.1 23.5 1.0 32.1 77 80 A E T 3 S- 0 0 55 1,-0.3 40,-0.4 -2,-0.3 -1,-0.3 -0.296 124.2 -14.6 49.8-131.6 22.5 -1.3 35.0 78 81 A N T 3 S+ 0 0 31 38,-0.1 23,-3.1 -3,-0.1 24,-0.3 0.370 123.6 85.1 -80.6 8.9 18.8 -0.7 35.9 79 82 A F E < +EF 76 100B 0 -3,-2.1 -3,-2.4 21,-0.3 2,-0.3 -0.781 49.4 169.7-113.3 152.2 18.6 2.6 33.9 80 83 A C E -EF 75 99B 0 19,-3.1 19,-2.5 -2,-0.3 2,-0.3 -0.967 11.0-169.6-150.8 168.2 18.0 3.4 30.2 81 84 A A E -E 74 0B 0 -7,-2.0 -7,-2.6 -2,-0.3 2,-0.5 -0.981 23.5-127.1-151.6 155.2 17.2 6.2 27.8 82 85 A R E -EF 73 96B 27 14,-2.6 13,-2.8 -2,-0.3 14,-1.8 -0.954 38.6-178.8-106.4 130.3 16.2 6.6 24.3 83 86 A I E -EF 72 94B 3 -11,-2.8 -11,-1.9 -2,-0.5 2,-0.6 -0.814 35.8-128.5-123.5 159.7 18.5 8.8 22.3 84 87 A D E -EF 71 93B 29 9,-2.6 9,-1.5 -2,-0.3 -13,-0.2 -0.972 22.6-165.9-100.0 114.0 19.0 10.3 18.9 85 88 A Y - 0 0 4 -15,-2.1 4,-0.3 -2,-0.6 7,-0.2 0.464 14.9-151.2 -86.6 2.5 22.6 9.4 18.1 86 89 A A > - 0 0 11 -16,-0.6 3,-1.2 5,-0.2 5,-0.3 0.820 21.3-129.1 30.9 76.1 22.8 11.8 15.2 87 90 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.302 80.5 6.2 -63.2 131.7 25.4 9.9 13.2 88 91 A H T 3 S+ 0 0 104 1,-0.3 2,-0.3 -3,-0.2 -2,-0.1 0.772 119.2 72.5 71.9 30.8 28.4 11.9 12.0 89 92 A S S < S- 0 0 64 -3,-1.2 -1,-0.3 -4,-0.3 3,-0.2 -0.940 84.2-112.6-158.1 178.0 27.5 15.1 13.8 90 93 A D S S+ 0 0 97 -2,-0.3 -4,-0.1 1,-0.2 -41,-0.1 0.025 83.2 103.3-106.6 24.1 27.4 16.6 17.3 91 94 A K + 0 0 152 -5,-0.3 -5,-0.2 -6,-0.1 -1,-0.2 0.062 43.5 141.6-101.8 24.8 23.6 16.9 17.4 92 95 A D + 0 0 13 -7,-0.2 2,-0.3 -6,-0.2 -7,-0.2 -0.323 23.9 174.0 -64.7 147.0 22.8 13.9 19.8 93 96 A K E -F 84 0B 110 -9,-1.5 -9,-2.6 -44,-0.1 2,-0.5 -0.992 37.4-107.7-153.1 155.0 20.1 14.3 22.3 94 97 A I E +F 83 0B 11 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.758 31.5 179.2 -82.9 125.2 18.2 12.4 24.9 95 98 A I E + 0 0 63 -13,-2.8 2,-0.4 -2,-0.5 -12,-0.2 0.868 68.1 12.2 -91.9 -49.7 14.6 11.8 23.7 96 99 A S E S-F 82 0B 40 -14,-1.8 -14,-2.6 182,-0.0 -1,-0.3 -0.999 99.6 -51.7-134.2 133.3 13.1 9.8 26.6 97 100 A G E - 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