==== 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 30-JUL-01 1JOJ . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR D.JAIN,K.KAUR,D.M.SALUNKE . 972 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 672 69.1 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 . 418 43.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 1 0.1 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 . 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 . 128 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 11 9 0 4 10 11 6 7 4 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 3 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, 0.0 232,-0.0 0.000 360.0 360.0 360.0-169.7 70.2 52.2 97.7 2 2 A D - 0 0 50 230,-0.1 2,-0.5 218,-0.1 213,-0.0 -0.340 360.0-125.1 -80.6 166.6 68.1 52.6 100.9 3 3 A T - 0 0 41 -2,-0.1 213,-0.7 2,-0.0 2,-0.4 -0.978 34.7-173.7-114.4 122.4 69.4 54.3 104.1 4 4 A I E +A 215 0A 4 -2,-0.5 26,-3.2 211,-0.2 2,-0.5 -0.966 23.2 176.5-132.6 129.2 69.0 52.0 107.0 5 5 A V E +AB 214 29A 2 209,-2.1 209,-2.5 -2,-0.4 2,-0.3 -0.988 27.5 163.4-118.7 126.2 69.5 52.4 110.8 6 6 A A E -AB 213 28A 1 22,-2.4 22,-3.5 -2,-0.5 2,-0.6 -0.993 40.9-140.3-149.7 156.2 68.6 49.3 112.8 7 7 A V E -AB 212 27A 4 205,-2.4 205,-2.3 -2,-0.3 2,-0.4 -0.979 35.8-156.7-111.8 118.2 69.0 47.5 116.1 8 8 A E E -AB 211 26A 0 18,-2.2 18,-1.7 -2,-0.6 2,-0.8 -0.824 23.1-154.3-107.3 142.3 69.4 43.8 115.4 9 9 A L E -AB 210 25A 1 201,-3.5 201,-1.3 -2,-0.4 2,-0.4 -0.793 29.4-165.5-106.9 81.1 68.7 40.7 117.5 10 10 A D E +AB 209 24A 4 14,-1.1 14,-1.2 -2,-0.8 199,-0.3 -0.562 18.9 176.1 -75.3 126.8 71.2 38.5 115.8 11 11 A T + 0 0 6 197,-1.6 198,-0.2 -2,-0.4 -1,-0.1 0.617 63.8 56.6-106.7 -16.1 70.8 34.7 116.6 12 12 A Y S S- 0 0 71 196,-0.8 2,-0.9 10,-0.1 -1,-0.2 -0.969 77.8-134.0-119.4 125.4 73.5 33.1 114.3 13 13 A P + 0 0 35 0, 0.0 2,-0.8 0, 0.0 8,-0.1 -0.659 23.3 177.6 -82.8 107.6 77.1 34.2 114.6 14 14 A N > > + 0 0 22 -2,-0.9 3,-2.5 1,-0.1 5,-1.2 -0.598 5.5 176.4-101.8 65.6 78.5 34.7 111.1 15 15 A T T 3 5 + 0 0 80 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.181 66.4 78.7 -62.6 24.5 81.9 35.8 112.4 16 16 A D T 3 5S+ 0 0 129 -2,-1.2 -1,-0.3 1,-0.1 -2,-0.0 0.534 97.2 40.4-104.9 -17.3 83.0 36.0 108.8 17 17 A I T < 5S- 0 0 7 -3,-2.5 -2,-0.2 15,-0.1 -1,-0.1 0.068 138.9 -75.3-118.9 20.4 81.4 39.3 108.2 18 18 A G T 5S+ 0 0 59 1,-0.3 -3,-0.2 -4,-0.1 15,-0.0 0.300 84.4 149.4 104.7 -7.4 82.3 40.8 111.5 19 19 A D < - 0 0 12 -5,-1.2 -1,-0.3 1,-0.1 14,-0.0 -0.212 48.0-114.9 -61.5 146.4 79.8 38.8 113.6 20 20 A P - 0 0 19 0, 0.0 -5,-0.2 0, 0.0 4,-0.1 -0.248 32.3-102.7 -72.3 170.8 80.7 38.0 117.2 21 21 A S S S+ 0 0 96 -7,-0.1 -2,-0.0 -6,-0.1 18,-0.0 0.106 98.4 34.9 -85.8 27.5 81.2 34.3 118.2 22 22 A Y S S- 0 0 87 -10,-0.1 -8,-0.1 -12,-0.0 -10,-0.1 -0.985 104.0 -60.9-167.6 165.7 77.8 34.1 119.9 23 23 A P + 0 0 15 0, 0.0 17,-3.1 0, 0.0 2,-0.2 -0.371 68.9 163.7 -58.4 128.8 74.1 35.4 119.8 24 24 A H E -BC 10 39A 0 -14,-1.2 -14,-1.1 15,-0.3 2,-0.4 -0.821 39.5-125.5-141.6 177.4 74.3 39.2 120.2 25 25 A I E +BC 9 38A 0 13,-1.5 13,-1.0 -2,-0.2 2,-0.3 -0.978 36.3 169.0-126.3 141.0 72.5 42.5 119.8 26 26 A G E -BC 8 37A 0 -18,-1.7 -18,-2.2 -2,-0.4 2,-0.5 -0.936 34.5-118.4-148.7 170.0 74.0 45.3 117.8 27 27 A I E -BC 7 36A 0 9,-1.7 8,-2.6 -2,-0.3 9,-0.7 -0.966 26.7-159.9-115.7 123.7 73.4 48.7 116.2 28 28 A D E -B 6 0A 0 -22,-3.5 -22,-2.4 -2,-0.5 2,-0.7 -0.907 8.8-170.5-109.1 124.0 73.7 48.9 112.4 29 29 A I E S-B 5 0A 20 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.832 78.6 -41.4-114.2 91.5 74.3 52.2 110.7 30 30 A K S S+ 0 0 132 -26,-3.2 2,-0.3 -2,-0.7 -25,-0.1 0.648 126.8 72.6 65.2 19.7 73.9 51.6 106.9 31 31 A S S S- 0 0 17 -27,-0.3 4,-0.1 1,-0.1 -1,-0.1 -0.989 78.4-129.3-157.8 153.5 75.7 48.3 107.1 32 32 A V S S+ 0 0 2 205,-0.7 2,-1.2 -2,-0.3 204,-0.1 0.668 91.9 90.0 -78.9 -15.8 75.3 44.8 108.4 33 33 A R S S- 0 0 96 204,-0.6 -4,-0.3 -4,-0.1 -1,-0.1 -0.708 87.7-129.0 -84.2 98.4 78.6 45.1 110.2 34 34 A S - 0 0 31 -2,-1.2 -6,-0.2 1,-0.1 3,-0.2 -0.099 6.5-141.1 -50.7 139.4 77.5 46.5 113.5 35 35 A K S S- 0 0 103 -8,-2.6 2,-0.3 1,-0.3 -1,-0.1 0.738 90.0 -3.0 -72.7 -24.5 79.1 49.6 114.9 36 36 A K E S-C 27 0A 124 -9,-0.7 -9,-1.7 41,-0.1 -1,-0.3 -0.889 71.0-174.0-168.5 136.5 78.9 48.0 118.4 37 37 A T E -C 26 0A 33 -2,-0.3 2,-0.2 -11,-0.2 -11,-0.2 -0.592 8.6-153.8-123.8-174.2 77.5 44.7 119.7 38 38 A A E -C 25 0A 24 -13,-1.0 -13,-1.5 -2,-0.2 37,-0.0 -0.818 33.6 -98.1-168.6 124.3 76.9 42.9 123.0 39 39 A K E -C 24 0A 126 -2,-0.2 2,-0.4 -15,-0.2 -15,-0.3 -0.093 39.3-162.6 -45.0 136.1 76.6 39.3 124.0 40 40 A W - 0 0 9 -17,-3.1 2,-2.0 -30,-0.1 -1,-0.1 -0.960 16.7-143.8-131.3 113.3 73.0 38.3 124.3 41 41 A N - 0 0 104 -2,-0.4 2,-0.2 30,-0.1 -17,-0.1 -0.545 27.5-159.4 -78.7 82.7 71.9 35.1 126.1 42 42 A M - 0 0 4 -2,-2.0 2,-0.8 -19,-0.1 916,-0.1 -0.424 5.0-150.0 -65.3 127.9 69.1 34.2 123.8 43 43 A Q > - 0 0 40 -2,-0.2 3,-2.1 3,-0.1 913,-0.2 -0.848 15.4-134.7-107.5 102.7 66.6 31.8 125.3 44 44 A N T 3 S+ 0 0 4 911,-2.2 156,-0.2 -2,-0.8 910,-0.1 -0.205 86.7 11.7 -53.2 132.6 65.0 29.6 122.7 45 45 A G T 3 S+ 0 0 12 154,-2.1 2,-0.3 1,-0.2 -1,-0.3 0.416 100.4 115.8 81.2 -2.2 61.2 29.3 123.1 46 46 A K < - 0 0 80 -3,-2.1 153,-0.5 153,-0.3 -1,-0.2 -0.790 67.8-116.6-104.3 145.3 60.9 32.2 125.6 47 47 A V E -H 198 0B 65 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.549 40.8-178.6 -75.9 139.7 59.0 35.4 125.1 48 48 A G E -H 197 0B 0 149,-2.2 149,-1.3 -2,-0.2 2,-0.4 -0.818 18.9-132.4-133.2 174.7 61.3 38.5 125.3 49 49 A T E -HI 196 66B 34 17,-2.4 17,-2.0 -2,-0.3 2,-0.4 -0.979 7.5-161.0-134.1 145.5 61.1 42.2 125.1 50 50 A A E -HI 195 65B 1 145,-2.1 145,-1.6 -2,-0.4 2,-0.5 -0.994 5.8-169.9-128.2 126.8 63.1 44.8 123.2 51 51 A H E -HI 194 64B 83 13,-2.8 13,-2.8 -2,-0.4 2,-0.4 -0.975 3.8-174.4-117.1 126.7 63.2 48.5 124.2 52 52 A I E +HI 193 63B 2 141,-2.6 141,-2.3 -2,-0.5 2,-0.3 -0.988 7.3 175.6-124.2 128.8 64.8 51.1 121.9 53 53 A I E +HI 192 62B 84 9,-2.6 9,-2.5 -2,-0.4 2,-0.3 -0.940 7.3 164.2-131.6 155.5 65.3 54.7 122.9 54 54 A Y E -HI 191 61B 13 137,-1.3 137,-1.9 -2,-0.3 2,-0.3 -0.892 8.2-174.5-167.6 135.6 66.9 57.8 121.4 55 55 A N E >> -HI 190 60B 43 5,-0.6 4,-2.0 -2,-0.3 5,-0.7 -0.969 30.1-129.0-135.4 151.9 66.7 61.6 122.0 56 56 A S T 45S+ 0 0 18 133,-2.7 134,-0.1 -2,-0.3 26,-0.1 0.618 102.5 65.1 -75.1 -13.8 68.2 64.5 120.1 57 57 A V T 45S+ 0 0 101 132,-0.2 -1,-0.2 1,-0.1 133,-0.1 0.912 118.1 22.7 -75.0 -43.5 69.8 66.0 123.2 58 58 A D T 45S- 0 0 105 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.725 90.3-146.6 -92.9 -25.3 72.2 63.2 123.8 59 59 A K T <5 + 0 0 64 -4,-2.0 20,-1.3 1,-0.2 2,-0.4 0.943 52.6 136.2 55.2 47.6 72.2 61.9 120.3 60 60 A R E < -IJ 55 78B 113 -5,-0.7 2,-0.6 18,-0.2 -5,-0.6 -0.989 45.7-153.4-130.9 124.8 72.6 58.4 121.7 61 61 A L E +IJ 54 77B 4 16,-2.0 16,-1.7 -2,-0.4 2,-0.3 -0.870 23.0 177.4 -99.2 122.3 70.7 55.3 120.4 62 62 A S E -IJ 53 76B 19 -9,-2.5 -9,-2.6 -2,-0.6 2,-0.3 -0.920 11.4-168.2-127.6 151.8 70.3 52.6 123.1 63 63 A A E -IJ 52 75B 0 12,-2.3 12,-2.0 -2,-0.3 2,-0.4 -0.994 5.1-163.3-141.2 144.7 68.6 49.3 123.2 64 64 A V E -IJ 51 74B 44 -13,-2.8 -13,-2.8 -2,-0.3 2,-0.5 -0.997 4.3-173.5-130.1 128.9 67.7 46.8 126.0 65 65 A V E +IJ 50 73B 2 8,-2.6 8,-2.9 -2,-0.4 2,-0.3 -0.987 18.3 163.3-123.6 122.4 66.7 43.2 125.4 66 66 A S E -I 49 0B 43 -17,-2.0 -17,-2.4 -2,-0.5 6,-0.1 -0.900 29.1-148.4-137.2 166.7 65.5 41.1 128.4 67 67 A Y > - 0 0 8 -2,-0.3 3,-1.0 -19,-0.2 -19,-0.1 -0.987 49.0 -82.5-131.7 137.9 63.7 37.9 129.3 68 68 A P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.087 113.2 1.6 -44.7 131.7 61.5 37.6 132.5 69 69 A N T 3 S+ 0 0 178 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.878 113.4 103.8 55.6 44.9 63.7 36.9 135.6 70 70 A A S < S- 0 0 41 -3,-1.0 -1,-0.2 0, 0.0 -3,-0.1 -0.952 79.4 -89.0-147.5 162.7 67.0 37.0 133.6 71 71 A D - 0 0 167 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.2 -0.487 48.4-129.4 -72.9 148.4 69.9 39.4 133.1 72 72 A S - 0 0 65 -2,-0.1 2,-0.4 -6,-0.1 -6,-0.2 -0.664 3.5-128.1-103.9 157.6 69.4 41.8 130.2 73 73 A A E -J 65 0B 10 -8,-2.9 -8,-2.6 -2,-0.2 2,-0.4 -0.837 28.0-173.0-101.0 137.5 71.5 42.8 127.3 74 74 A T E +J 64 0B 82 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.997 9.2 171.7-136.2 137.6 72.2 46.5 126.7 75 75 A V E +J 63 0B 7 -12,-2.0 -12,-2.3 -2,-0.4 2,-0.3 -0.993 2.8 177.9-147.9 136.4 73.9 48.3 123.8 76 76 A S E -J 62 0B 39 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.926 6.9-170.1-135.0 160.2 74.3 52.0 123.0 77 77 A Y E -J 61 0B 80 -16,-1.7 -16,-2.0 -2,-0.3 2,-0.7 -0.885 26.7-126.4-156.3 118.7 76.0 54.1 120.3 78 78 A D E +J 60 0B 100 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.542 49.7 152.3 -68.8 108.8 76.5 57.8 120.1 79 79 A V - 0 0 15 -20,-1.3 2,-0.9 -2,-0.7 -2,-0.1 -0.978 43.4-139.0-145.9 130.7 75.1 58.7 116.7 80 80 A D > - 0 0 47 -2,-0.3 3,-1.2 1,-0.1 -24,-0.1 -0.784 14.8-164.6 -90.7 102.4 73.5 61.9 115.4 81 81 A L G >> S+ 0 0 2 -2,-0.9 4,-2.3 1,-0.2 3,-1.3 0.624 78.2 74.9 -64.1 -17.2 70.5 60.8 113.3 82 82 A D G 34 S+ 0 0 46 1,-0.3 -1,-0.2 2,-0.2 100,-0.1 0.851 99.6 44.7 -64.4 -34.3 70.1 64.2 111.6 83 83 A N G <4 S+ 0 0 134 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.051 119.5 40.7 -99.3 23.5 73.2 63.5 109.4 84 84 A V T <4 S+ 0 0 32 -3,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.550 109.2 47.4-135.9 -35.9 72.2 59.9 108.6 85 85 A L S < S- 0 0 5 -4,-2.3 -1,-0.3 130,-0.0 4,-0.1 -0.844 79.4-113.4-116.5 150.9 68.4 59.8 107.9 86 86 A P - 0 0 56 0, 0.0 95,-0.2 0, 0.0 96,-0.1 -0.381 40.8-108.5 -70.2 160.5 66.1 62.0 105.8 87 87 A E S S+ 0 0 58 94,-0.1 94,-1.3 93,-0.1 95,-0.9 0.768 107.7 54.9 -68.1 -19.3 63.7 63.9 108.0 88 88 A W E S+D 180 0A 10 92,-0.2 129,-0.5 93,-0.1 2,-0.3 -0.954 73.3 146.4-113.8 129.1 60.8 61.7 106.9 89 89 A V E -DE 179 216A 0 90,-2.5 90,-3.9 -2,-0.5 2,-0.3 -0.824 39.9-117.2-145.5-178.3 61.2 58.0 107.3 90 90 A R E - 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