==== 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 14-MAY-08 3D4K . COMPND 2 MOLECULE: CONCANAVALIN-A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR R.KADIRVELRAJ,B.L.FOLEY,J.D.DYEKJAER,R.J.WOODS . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 646 68.1 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 . 415 43.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 8 0.8 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 . 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 . 97 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 . 4 12 0 4 10 8 9 7 3 1 1 3 0 0 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 0 139 0, 0.0 218,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.8 10.8 7.8 62.2 2 2 A D - 0 0 54 218,-0.1 2,-0.6 230,-0.1 213,-0.0 -0.281 360.0-134.2 -68.0 154.9 12.7 7.2 59.0 3 3 A T - 0 0 36 2,-0.0 213,-0.6 26,-0.0 2,-0.4 -0.967 29.4-171.1-113.0 118.7 11.3 8.6 55.7 4 4 A I E +A 215 0A 4 -2,-0.6 26,-3.2 211,-0.2 2,-0.4 -0.945 23.3 173.3-124.0 135.5 11.3 6.0 52.9 5 5 A V E +AB 214 29A 3 209,-1.9 209,-2.6 -2,-0.4 2,-0.3 -0.999 29.2 160.4-129.9 123.1 10.6 6.1 49.2 6 6 A A E -AB 213 28A 2 22,-2.6 22,-3.1 -2,-0.4 2,-0.6 -0.978 43.4-135.7-149.8 162.5 11.4 2.8 47.5 7 7 A V E -AB 212 27A 2 205,-2.6 205,-2.1 -2,-0.3 2,-0.4 -0.983 35.3-154.5-116.1 116.2 10.9 0.6 44.5 8 8 A E E -AB 211 26A 0 18,-2.5 18,-2.0 -2,-0.6 2,-0.7 -0.780 22.8-159.6-102.1 143.0 10.3 -3.0 45.6 9 9 A L E -AB 210 25A 0 201,-3.1 201,-1.6 -2,-0.4 2,-0.8 -0.835 28.2-167.9-114.2 80.3 10.9 -6.3 43.8 10 10 A D E +AB 209 24A 4 14,-1.7 14,-2.4 -2,-0.7 199,-0.2 -0.685 17.2 175.5 -80.2 105.9 8.4 -8.2 46.0 11 11 A T + 0 0 4 -2,-0.8 198,-0.2 197,-0.7 -1,-0.2 0.670 63.6 57.3 -85.6 -19.2 8.9 -11.9 45.5 12 12 A Y S S- 0 0 61 196,-0.9 2,-0.4 10,-0.1 -1,-0.1 -0.937 79.4-131.8-119.5 119.9 6.4 -13.2 48.1 13 13 A P - 0 0 41 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.519 20.0-177.8 -74.1 121.4 2.8 -12.3 48.2 14 14 A N > > + 0 0 23 -2,-0.4 3,-2.1 1,-0.1 5,-1.5 -0.744 7.5 175.4-112.5 76.1 1.5 -11.2 51.6 15 15 A T G > 5 + 0 0 87 -2,-0.6 3,-1.0 1,-0.3 -1,-0.1 0.650 69.6 70.8 -59.5 -16.2 -2.1 -10.6 50.7 16 16 A D G 3 5S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.632 102.2 44.0 -77.6 -11.4 -3.0 -9.8 54.3 17 17 A I G < 5S- 0 0 4 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.007 133.4 -77.6-121.2 29.7 -1.2 -6.5 54.1 18 18 A G T < 5S+ 0 0 54 -3,-1.0 -3,-0.2 1,-0.3 -2,-0.1 0.442 83.9 139.0 94.4 -0.6 -2.3 -5.2 50.7 19 19 A D < - 0 0 12 -5,-1.5 -1,-0.3 1,-0.1 -2,-0.1 -0.549 53.0-117.4 -81.6 143.6 -0.1 -7.3 48.3 20 20 A P - 0 0 27 0, 0.0 2,-1.2 0, 0.0 -6,-0.1 -0.259 37.5 -96.9 -69.5 166.1 -1.6 -8.8 45.1 21 21 A S S S+ 0 0 98 -8,-0.1 -2,-0.0 -6,-0.1 3,-0.0 -0.170 99.4 46.9 -80.5 44.5 -1.7 -12.6 44.7 22 22 A Y S S- 0 0 84 -2,-1.2 -10,-0.1 -10,-0.1 -12,-0.1 -0.968 100.2 -69.7-172.9 158.3 1.6 -12.8 42.8 23 23 A P + 0 0 42 0, 0.0 17,-2.3 0, 0.0 2,-0.3 -0.290 65.4 167.5 -53.9 144.9 5.2 -11.6 42.6 24 24 A H E -BC 10 39A 0 -14,-2.4 -14,-1.7 15,-0.3 2,-0.4 -0.977 38.2-126.1-157.5 168.0 5.2 -7.9 41.8 25 25 A I E +BC 9 38A 0 13,-2.2 13,-2.0 -2,-0.3 2,-0.3 -0.901 37.9 175.7-116.8 144.5 7.1 -4.7 41.5 26 26 A G E -BC 8 37A 0 -18,-2.0 -18,-2.5 -2,-0.4 2,-0.6 -0.979 35.2-119.5-151.4 165.2 5.8 -1.7 43.3 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.8 -2,-0.3 9,-0.8 -0.934 29.7-163.2-107.6 116.8 6.3 1.9 44.3 28 28 A D E -B 6 0A 0 -22,-3.1 -22,-2.6 -2,-0.6 2,-0.7 -0.901 8.0-173.9-105.7 119.9 6.4 2.5 48.1 29 29 A I E S-B 5 0A 16 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.883 76.5 -40.2-116.0 99.2 5.9 5.9 49.5 30 30 A K S S+ 0 0 131 -26,-3.2 2,-0.3 -2,-0.7 -25,-0.1 0.649 128.4 73.5 59.2 18.4 6.4 6.0 53.2 31 31 A S S S- 0 0 11 -27,-0.2 -2,-0.2 1,-0.1 4,-0.1 -0.971 76.8-134.5-160.2 143.1 4.6 2.7 53.5 32 32 A V S S+ 0 0 3 203,-0.4 2,-1.3 -2,-0.3 204,-0.1 0.682 91.8 88.8 -70.6 -17.8 5.1 -1.0 52.7 33 33 A R S S- 0 0 102 -4,-0.1 -4,-0.3 -14,-0.0 -1,-0.1 -0.708 90.5-127.4 -84.9 94.7 1.7 -1.0 51.1 34 34 A S - 0 0 25 -2,-1.3 -6,-0.2 1,-0.1 3,-0.1 -0.009 9.0-145.8 -43.3 140.2 2.6 0.0 47.6 35 35 A K S S+ 0 0 102 -8,-2.8 2,-0.3 1,-0.3 -1,-0.1 0.680 89.5 11.4 -82.1 -19.4 0.8 3.0 46.1 36 36 A K E S-C 27 0A 96 -9,-0.8 -9,-2.3 41,-0.1 -1,-0.3 -0.974 72.1-178.7-157.6 142.2 1.1 1.2 42.7 37 37 A T E -C 26 0A 53 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.925 10.4-160.7-141.7 166.9 2.1 -2.2 41.6 38 38 A A E -C 25 0A 19 -13,-2.0 -13,-2.2 -2,-0.3 37,-0.1 -0.991 36.1 -97.4-148.9 141.6 2.6 -4.4 38.5 39 39 A K E -C 24 0A 112 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.357 39.9-160.5 -61.3 135.7 2.7 -8.1 38.0 40 40 A W - 0 0 6 -17,-2.3 2,-1.5 -30,-0.1 32,-0.1 -0.976 16.0-150.4-126.7 123.3 6.3 -9.4 37.8 41 41 A N - 0 0 104 -2,-0.5 2,-0.1 30,-0.2 -17,-0.1 -0.630 24.7-163.7 -90.5 79.6 7.3 -12.8 36.4 42 42 A M - 0 0 34 -2,-1.5 2,-0.7 1,-0.1 -2,-0.0 -0.415 8.2-146.9 -66.4 135.8 10.4 -13.4 38.5 43 43 A Q > - 0 0 77 3,-0.2 3,-2.3 -2,-0.1 156,-0.2 -0.866 15.5-133.9-110.5 98.5 12.7 -16.1 37.1 44 44 A N T 3 S+ 0 0 60 -2,-0.7 156,-0.3 1,-0.3 3,-0.1 -0.253 88.7 12.4 -51.8 121.4 14.3 -18.1 40.0 45 45 A G T 3 S+ 0 0 28 154,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.377 101.0 112.1 92.3 -4.5 18.0 -18.4 39.3 46 46 A K S < S- 0 0 114 -3,-2.3 153,-0.7 153,-0.4 2,-0.5 -0.808 70.9-113.3-107.3 146.3 18.3 -15.9 36.4 47 47 A V E -H 198 0B 64 -2,-0.3 151,-0.2 151,-0.2 2,-0.2 -0.622 41.0-172.4 -76.5 123.0 20.2 -12.6 36.5 48 48 A G E -H 197 0B 0 149,-2.7 149,-2.2 -2,-0.5 2,-0.4 -0.656 15.2-136.4-113.0 170.4 17.7 -9.7 36.2 49 49 A T E -HI 196 66B 52 17,-2.7 17,-2.7 147,-0.2 2,-0.4 -0.989 10.6-166.2-131.3 137.4 18.0 -5.9 35.7 50 50 A A E -HI 195 65B 1 145,-2.5 145,-2.0 -2,-0.4 2,-0.4 -0.981 3.5-171.3-124.1 132.2 16.1 -3.1 37.4 51 51 A H E -HI 194 64B 59 13,-2.5 13,-2.2 -2,-0.4 2,-0.4 -0.991 2.4-171.8-126.3 128.3 16.0 0.5 36.2 52 52 A I E +HI 193 63B 0 141,-3.0 141,-2.4 -2,-0.4 2,-0.3 -0.961 7.1 178.5-120.8 136.7 14.5 3.3 38.2 53 53 A I E +HI 192 62B 73 9,-2.7 9,-2.6 -2,-0.4 2,-0.3 -0.986 8.0 169.2-140.3 149.6 14.0 6.9 37.0 54 54 A Y E +HI 191 61B 13 137,-2.1 137,-2.4 -2,-0.3 2,-0.3 -0.974 3.9 179.7-157.4 140.8 12.6 10.2 38.3 55 55 A N E >> -HI 190 60B 50 5,-0.7 4,-1.9 -2,-0.3 5,-0.9 -0.994 30.2-134.5-144.7 142.9 12.6 13.8 37.1 56 56 A S T 45S+ 0 0 17 133,-3.3 134,-0.1 -2,-0.3 -1,-0.0 0.616 98.4 72.4 -72.5 -13.2 11.1 16.9 38.6 57 57 A V T 45S+ 0 0 94 132,-0.3 -1,-0.2 1,-0.2 133,-0.1 0.977 119.0 15.7 -65.2 -52.9 9.7 18.0 35.3 58 58 A D T 45S- 0 0 106 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.638 94.2-141.2 -92.9 -18.0 7.0 15.3 35.3 59 59 A K T <5 + 0 0 87 -4,-1.9 20,-2.3 1,-0.2 2,-0.4 0.952 53.9 138.8 53.8 52.5 7.3 14.5 39.0 60 60 A R E < -IJ 55 78B 115 -5,-0.9 -5,-0.7 18,-0.2 2,-0.6 -0.995 45.7-152.0-132.3 130.2 6.9 10.8 38.2 61 61 A L E +IJ 54 77B 3 16,-2.7 16,-2.2 -2,-0.4 2,-0.3 -0.902 25.8 174.9-102.7 121.1 8.8 7.8 39.6 62 62 A S E -IJ 53 76B 19 -9,-2.6 -9,-2.7 -2,-0.6 2,-0.3 -0.914 11.7-174.2-127.8 155.4 9.0 4.9 37.2 63 63 A A E -IJ 52 75B 4 12,-2.2 12,-2.2 -2,-0.3 2,-0.4 -0.996 7.5-165.4-148.2 147.9 10.7 1.5 37.2 64 64 A V E -IJ 51 74B 43 -13,-2.2 -13,-2.5 -2,-0.3 2,-0.4 -0.999 5.9-169.5-136.6 129.9 11.2 -1.3 34.8 65 65 A V E +IJ 50 73B 2 8,-2.6 8,-2.7 -2,-0.4 2,-0.3 -0.979 19.7 157.8-122.1 133.5 12.5 -4.8 35.8 66 66 A S E -I 49 0B 39 -17,-2.7 -17,-2.7 -2,-0.4 6,-0.1 -0.990 34.2-141.2-155.6 164.9 13.4 -7.4 33.2 67 67 A Y > - 0 0 13 -2,-0.3 3,-0.7 4,-0.2 -19,-0.1 -0.913 51.4 -82.7-121.8 146.4 15.3 -10.5 32.2 68 68 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.198 112.7 7.3 -51.9 138.8 17.1 -11.0 28.8 69 69 A N T 3 S+ 0 0 174 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.902 110.4 99.6 53.0 52.0 14.7 -12.1 26.1 70 70 A A S < S- 0 0 43 -3,-0.7 -1,-0.2 0, 0.0 -3,-0.1 -0.980 81.7 -87.9-159.0 153.3 11.5 -11.7 28.1 71 71 A D - 0 0 156 -2,-0.3 -4,-0.2 -5,-0.1 -30,-0.2 -0.405 48.3-129.2 -65.1 140.7 8.7 -9.2 28.5 72 72 A S - 0 0 65 -6,-0.1 2,-0.4 -2,-0.1 -6,-0.2 -0.504 7.5-128.9 -91.9 161.8 9.6 -6.5 31.1 73 73 A A E -J 65 0B 13 -8,-2.7 -8,-2.6 -2,-0.2 2,-0.3 -0.925 28.9-172.6-109.5 133.9 7.4 -5.4 34.1 74 74 A T E +J 64 0B 78 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.961 11.4 177.4-131.6 148.8 6.9 -1.7 34.5 75 75 A V E -J 63 0B 6 -12,-2.2 -12,-2.2 -2,-0.3 2,-0.3 -0.992 3.0-176.5-149.9 137.8 5.3 0.6 37.1 76 76 A S E -J 62 0B 15 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.986 1.3-175.1-136.8 148.5 4.9 4.4 37.4 77 77 A Y E -J 61 0B 74 -16,-2.2 -16,-2.7 -2,-0.3 2,-0.4 -0.990 26.7-124.3-147.0 133.6 3.5 6.7 40.1 78 78 A D E +J 60 0B 112 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.636 48.3 148.2 -76.4 127.0 3.0 10.4 40.2 79 79 A V - 0 0 17 -20,-2.3 2,-0.9 -2,-0.4 3,-0.1 -0.919 44.8-139.3-163.9 133.5 4.8 11.9 43.2 80 80 A D > - 0 0 63 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 -0.842 14.5-165.0 -96.4 102.4 6.5 15.1 44.1 81 81 A L G >> S+ 0 0 2 -2,-0.9 4,-2.3 1,-0.3 3,-1.5 0.751 82.9 72.6 -59.2 -24.0 9.6 14.1 46.1 82 82 A D G 34 S+ 0 0 54 1,-0.3 -1,-0.3 2,-0.2 102,-0.1 0.801 103.1 42.6 -60.7 -28.7 10.0 17.6 47.4 83 83 A N G <4 S+ 0 0 140 -3,-1.7 -1,-0.3 1,-0.0 -2,-0.2 0.346 121.3 39.9 -99.3 4.7 7.0 17.0 49.6 84 84 A V T <4 S+ 0 0 24 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.751 109.1 43.9-117.4 -50.9 8.0 13.5 50.7 85 85 A L S < S- 0 0 7 -4,-2.3 -1,-0.2 1,-0.1 4,-0.1 -0.580 82.9-105.0 -99.7 160.2 11.8 13.3 51.3 86 86 A P - 0 0 50 0, 0.0 95,-0.2 0, 0.0 96,-0.1 -0.373 42.3-102.2 -74.3 164.3 14.1 15.7 53.2 87 87 A E S S+ 0 0 53 94,-0.1 94,-1.2 93,-0.1 95,-1.1 0.893 109.4 43.7 -54.2 -45.5 16.4 17.8 51.0 88 88 A W E S+D 180 0A 16 92,-0.2 129,-0.5 93,-0.1 2,-0.2 -0.870 74.7 156.8-106.3 138.5 19.4 15.5 51.7 89 89 A V E -DE 179 216A 0 90,-2.3 90,-3.5 -2,-0.4 2,-0.3 -0.840 35.6-121.0-146.1-179.3 19.2 11.8 51.7 90 90 A R E - 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