==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 14-JUL-98 1QDC . COMPND 2 MOLECULE: PROTEIN (CONCANAVALIN A); . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR J.BOUCKAERT,R.LORIS,L.WYNS . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 656 69.2 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 . 416 43.9 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 . 9 0.9 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 . 105 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 1.8 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 1 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 10 2 4 12 7 8 7 4 0 0 4 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 0 144 0, 0.0 2,-0.1 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0-153.6 4.7 46.2 4.9 2 2 A D - 0 0 59 218,-0.1 2,-0.5 216,-0.0 213,-0.0 -0.354 360.0-135.6 -77.9 157.0 5.5 43.8 7.8 3 3 A T - 0 0 37 -2,-0.1 213,-0.6 2,-0.0 2,-0.4 -0.983 28.5-172.5-114.7 118.8 4.7 44.5 11.5 4 4 A I E +A 215 0A 4 -2,-0.5 26,-2.9 211,-0.2 2,-0.4 -0.932 21.6 179.3-122.0 134.8 7.6 43.6 13.8 5 5 A V E +AB 214 29A 2 209,-1.9 209,-2.6 -2,-0.4 2,-0.3 -0.999 28.6 167.5-126.4 124.0 8.0 43.4 17.6 6 6 A A E -AB 213 28A 2 22,-2.6 22,-3.4 -2,-0.4 2,-0.5 -0.968 39.9-144.8-143.5 158.0 11.4 42.3 18.6 7 7 A V E -AB 212 27A 3 205,-2.2 205,-2.1 -2,-0.3 2,-0.4 -0.994 33.4-157.4-117.8 113.4 13.9 41.9 21.4 8 8 A E E -AB 211 26A 0 18,-2.5 18,-1.9 -2,-0.5 2,-0.8 -0.787 23.8-157.9-102.1 145.5 17.4 42.5 20.0 9 9 A L E -AB 210 25A 1 201,-3.1 201,-1.6 -2,-0.4 2,-0.8 -0.909 30.2-166.6-111.5 85.4 20.8 41.3 21.4 10 10 A D E +AB 209 24A 2 14,-2.4 14,-2.4 -2,-0.8 199,-0.2 -0.753 19.3 177.4 -87.8 113.5 22.7 44.1 19.5 11 11 A T + 0 0 3 197,-0.9 198,-0.2 -2,-0.8 -1,-0.1 0.705 64.1 59.9 -86.0 -20.7 26.4 43.5 19.5 12 12 A Y S S- 0 0 66 196,-1.0 2,-0.7 10,-0.1 -1,-0.1 -0.932 76.8-134.4-117.0 123.4 27.5 46.5 17.4 13 13 A P - 0 0 40 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.612 19.2-176.6 -80.0 109.7 26.8 50.1 18.3 14 14 A N > > + 0 0 19 -2,-0.7 3,-1.7 1,-0.2 5,-1.3 -0.764 5.3 178.6-101.4 79.1 25.5 52.1 15.3 15 15 A T G > 5 + 0 0 88 -2,-1.0 3,-1.4 1,-0.3 -1,-0.2 0.761 69.7 70.8 -56.5 -25.1 25.3 55.5 17.0 16 16 A D G 3 5S+ 0 0 122 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.751 106.1 41.0 -59.8 -33.2 24.0 57.3 13.8 17 17 A I G < 5S- 0 0 7 -3,-1.7 -1,-0.3 15,-0.0 -2,-0.2 0.279 129.8 -84.4-102.7 13.2 20.8 55.5 14.3 18 18 A G T < 5S+ 0 0 58 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.186 75.3 143.4 112.6 -21.2 20.2 55.7 18.1 19 19 A D < - 0 0 13 -5,-1.3 -1,-0.3 1,-0.1 2,-0.1 -0.160 54.1-115.7 -54.7 145.4 22.2 52.7 19.4 20 20 A P - 0 0 23 0, 0.0 2,-0.8 0, 0.0 -6,-0.1 -0.383 39.1 -95.5 -75.7 166.5 23.9 53.4 22.8 21 21 A S S S+ 0 0 95 -8,-0.1 -2,-0.0 -6,-0.1 3,-0.0 0.027 100.3 47.4 -77.3 37.5 27.7 53.2 22.6 22 22 A Y S S- 0 0 84 -2,-0.8 -10,-0.1 -10,-0.1 -12,-0.1 -0.983 101.2 -69.4-165.0 161.3 28.0 49.6 23.7 23 23 A P + 0 0 37 0, 0.0 17,-2.3 0, 0.0 2,-0.3 -0.298 67.0 161.5 -54.0 145.0 26.5 46.1 23.1 24 24 A H E -BC 10 39A 0 -14,-2.4 -14,-2.4 15,-0.3 2,-0.4 -0.976 40.1-120.7-160.1 169.4 23.0 46.1 24.4 25 25 A I E +BC 9 38A 0 13,-2.2 13,-1.6 -2,-0.3 2,-0.3 -0.911 37.2 173.7-116.4 148.4 19.6 44.5 24.4 26 26 A G E -BC 8 37A 0 -18,-1.9 -18,-2.5 -2,-0.4 2,-0.6 -0.973 34.0-120.5-152.3 165.3 16.5 46.3 23.4 27 27 A I E -BC 7 36A 0 9,-2.0 8,-2.5 -2,-0.3 9,-0.8 -0.960 29.5-162.8-112.2 119.4 12.9 46.2 22.6 28 28 A D E -B 6 0A 0 -22,-3.4 -22,-2.6 -2,-0.6 2,-0.6 -0.917 9.2-172.3-107.7 126.4 11.9 47.2 19.1 29 29 A I E S-B 5 0A 19 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.925 77.2 -37.7-120.4 102.4 8.4 48.1 18.1 30 30 A K S S+ 0 0 137 -26,-2.9 2,-0.3 -2,-0.6 -25,-0.1 0.584 128.2 66.8 60.4 16.3 8.1 48.6 14.3 31 31 A S S S- 0 0 16 -27,-0.2 -2,-0.2 206,-0.1 4,-0.1 -0.983 78.1-129.1-162.4 148.3 11.5 50.2 14.2 32 32 A V S S+ 0 0 1 203,-0.3 2,-1.4 -2,-0.3 204,-0.1 0.657 90.7 92.0 -73.3 -16.9 15.2 49.4 14.6 33 33 A R S S- 0 0 106 -4,-0.1 -4,-0.3 1,-0.0 -1,-0.1 -0.662 87.3-128.8 -82.4 95.1 15.4 52.4 16.9 34 34 A S - 0 0 29 -2,-1.4 -6,-0.2 1,-0.1 3,-0.2 -0.039 10.1-145.8 -46.7 139.1 14.7 50.6 20.3 35 35 A K S S+ 0 0 109 -8,-2.5 2,-0.3 1,-0.3 -7,-0.1 0.836 89.8 7.8 -74.1 -34.0 12.0 52.0 22.6 36 36 A K E S-C 27 0A 93 -9,-0.8 -9,-2.0 41,-0.0 -1,-0.3 -0.990 71.3-177.1-149.8 139.4 14.2 50.9 25.6 37 37 A T E -C 26 0A 52 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.839 8.3-160.4-132.6 166.8 17.7 49.4 25.8 38 38 A A E -C 25 0A 21 -13,-1.6 -13,-2.2 -2,-0.3 37,-0.1 -0.970 35.2 -97.6-148.7 140.5 20.0 48.1 28.6 39 39 A K E -C 24 0A 110 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.353 39.1-159.4 -58.3 134.9 23.8 47.7 28.6 40 40 A W - 0 0 7 -17,-2.3 2,-2.1 -30,-0.1 26,-0.1 -0.960 15.5-148.5-127.6 114.8 24.8 44.1 27.8 41 41 A N - 0 0 113 -2,-0.5 -17,-0.1 30,-0.1 -2,-0.0 -0.496 27.2-164.2 -78.7 73.6 28.2 42.7 28.7 42 42 A M - 0 0 35 -2,-2.1 2,-0.6 1,-0.1 -2,-0.0 -0.294 6.7-147.4 -60.1 137.6 28.4 40.3 25.7 43 43 A Q > - 0 0 73 3,-0.1 3,-1.9 156,-0.0 156,-0.3 -0.928 14.8-129.5-115.5 110.0 31.1 37.6 26.2 44 44 A N T 3 S+ 0 0 76 -2,-0.6 156,-0.2 1,-0.3 3,-0.1 -0.318 88.8 6.5 -59.5 122.6 32.7 36.6 22.9 45 45 A G T 3 S+ 0 0 33 154,-3.0 2,-0.3 1,-0.3 -1,-0.3 0.466 100.9 117.4 85.9 0.7 32.7 32.8 22.5 46 46 A K < - 0 0 116 -3,-1.9 153,-0.7 153,-0.4 2,-0.5 -0.756 67.6-114.8-102.8 151.2 30.6 31.9 25.5 47 47 A V E -G 198 0B 65 -2,-0.3 2,-0.2 151,-0.2 151,-0.2 -0.723 40.2-177.3 -84.6 123.0 27.1 30.3 25.5 48 48 A G E -G 197 0B 0 149,-2.4 149,-2.2 -2,-0.5 2,-0.4 -0.716 18.4-135.1-116.4 170.7 24.4 32.6 26.8 49 49 A T E -GH 196 66B 10 17,-2.6 17,-2.3 147,-0.2 2,-0.4 -0.973 9.0-161.6-129.1 136.0 20.7 32.3 27.4 50 50 A A E -GH 195 65B 1 145,-2.8 145,-2.0 -2,-0.4 2,-0.4 -0.975 6.7-170.8-117.4 135.9 17.9 34.7 26.5 51 51 A H E -GH 194 64B 15 13,-2.7 13,-2.3 -2,-0.4 2,-0.4 -0.992 2.4-173.2-129.0 121.1 14.5 34.6 28.3 52 52 A I E +GH 193 63B 1 141,-3.5 141,-2.8 -2,-0.4 2,-0.3 -0.971 6.4 178.0-120.8 128.2 11.5 36.6 27.0 53 53 A I E +GH 192 62B 21 9,-2.3 9,-2.3 -2,-0.4 2,-0.3 -0.919 7.4 165.8-130.7 149.6 8.1 36.9 28.8 54 54 A Y E -G 191 0B 15 137,-1.7 137,-2.3 -2,-0.3 2,-0.3 -0.943 6.6-177.9-156.9 144.6 4.8 38.7 28.3 55 55 A N E >> -G 190 0B 16 5,-0.5 4,-1.7 -2,-0.3 5,-0.7 -0.985 30.6-130.0-144.0 146.0 1.3 38.5 29.7 56 56 A S T 45S+ 0 0 21 133,-2.7 134,-0.1 -2,-0.3 26,-0.1 0.548 101.2 63.8 -76.6 -3.5 -1.8 40.5 28.8 57 57 A V T 45S+ 0 0 26 132,-0.3 -1,-0.2 1,-0.1 482,-0.1 0.930 117.6 24.4 -81.9 -50.5 -2.7 41.4 32.4 58 58 A D T 45S- 0 0 18 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.707 93.1-148.4 -83.6 -25.8 0.5 43.5 33.1 59 59 A K T <5 + 0 0 65 -4,-1.7 20,-1.5 1,-0.2 2,-0.4 0.925 49.2 136.0 53.4 52.0 1.0 44.2 29.4 60 60 A R E < - I 0 78B 46 -5,-0.7 2,-0.6 18,-0.3 -5,-0.5 -0.997 46.9-151.0-132.7 126.0 4.7 44.3 29.9 61 61 A L E + I 0 77B 2 16,-3.1 16,-2.0 -2,-0.4 2,-0.3 -0.890 25.7 176.9 -99.1 121.1 7.4 42.8 27.6 62 62 A S E -HI 53 76B 0 -9,-2.3 -9,-2.3 -2,-0.6 2,-0.3 -0.929 12.2-172.6-125.5 150.6 10.5 41.8 29.5 63 63 A A E -HI 52 75B 1 12,-2.2 12,-1.8 -2,-0.3 2,-0.4 -0.997 6.7-165.1-143.5 141.0 13.7 40.0 28.5 64 64 A V E -HI 51 74B 5 -13,-2.3 -13,-2.7 -2,-0.3 2,-0.4 -0.991 7.8-173.4-125.5 131.0 16.7 38.8 30.6 65 65 A V E +HI 50 73B 2 8,-2.3 8,-2.4 -2,-0.4 2,-0.3 -0.999 20.3 148.5-126.7 128.4 20.0 37.9 28.8 66 66 A S E -H 49 0B 2 -17,-2.3 -17,-2.6 -2,-0.4 6,-0.1 -0.988 38.3-134.0-155.7 169.7 22.8 36.2 30.8 67 67 A Y > - 0 0 7 4,-0.4 3,-1.9 -2,-0.3 -19,-0.1 -0.904 50.9 -83.5-123.8 147.0 25.8 33.9 31.0 68 68 A P T 3 S+ 0 0 58 0, 0.0 527,-0.2 0, 0.0 3,-0.1 -0.305 114.6 7.2 -53.6 131.9 26.4 31.3 33.7 69 69 A N T 3 S+ 0 0 135 525,-1.3 2,-0.3 1,-0.2 526,-0.1 0.685 112.3 100.6 69.0 18.7 28.0 32.9 36.7 70 70 A A S < S- 0 0 27 -3,-1.9 -1,-0.2 524,-0.3 2,-0.1 -0.825 80.9 -88.9-128.2 165.1 27.7 36.5 35.4 71 71 A D - 0 0 150 -2,-0.3 -4,-0.4 -3,-0.1 2,-0.2 -0.381 44.2-125.0 -66.4 152.1 25.3 39.3 36.0 72 72 A S - 0 0 52 -6,-0.1 2,-0.5 -2,-0.1 -6,-0.2 -0.627 8.9-135.8-100.5 161.5 22.2 39.4 33.9 73 73 A A E -I 65 0B 11 -8,-2.4 -8,-2.3 -2,-0.2 2,-0.3 -0.980 24.7-169.7-114.3 130.0 21.0 42.3 31.7 74 74 A T E +I 64 0B 60 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.908 11.5 177.3-124.1 146.5 17.3 43.1 31.9 75 75 A V E -I 63 0B 6 -12,-1.8 -12,-2.2 -2,-0.3 2,-0.3 -0.970 5.3-177.6-149.3 134.4 15.0 45.3 29.8 76 76 A S E -I 62 0B 19 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.958 3.7-177.6-133.0 152.2 11.2 45.9 30.1 77 77 A Y E -I 61 0B 77 -16,-2.0 -16,-3.1 -2,-0.3 2,-0.6 -0.958 27.1-126.1-153.4 132.2 8.7 47.9 28.2 78 78 A D E +I 60 0B 89 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.681 47.2 148.4 -80.8 118.0 5.0 48.5 28.7 79 79 A V - 0 0 16 -20,-1.5 2,-0.9 -2,-0.6 -2,-0.1 -0.969 43.7-140.9-152.4 133.1 3.2 47.6 25.5 80 80 A D > - 0 0 40 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.897 15.2-156.9 -96.6 106.6 -0.2 46.2 24.8 81 81 A L G >> S+ 0 0 2 -2,-0.9 4,-2.4 1,-0.3 3,-1.1 0.711 84.7 73.3 -57.6 -21.6 0.4 43.8 21.9 82 82 A D G 34 S+ 0 0 53 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.747 96.5 51.0 -62.7 -28.8 -3.3 44.0 20.8 83 83 A N G <4 S+ 0 0 135 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.548 120.6 30.4 -87.4 -9.7 -2.6 47.5 19.5 84 84 A V T <4 S+ 0 0 31 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.760 112.3 50.0-114.7 -49.4 0.4 46.6 17.4 85 85 A L S < S- 0 0 6 -4,-2.4 -1,-0.1 1,-0.1 4,-0.1 -0.585 78.4-111.9 -99.5 158.4 0.2 43.0 16.1 86 86 A P - 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