==== 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 PLANT PROTEIN 09-DEC-04 1WUV . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA GLADIATA; . AUTHOR B.T.FREITAS,P.DELATORRE,F.B.M.B.MORENO,B.A.M.ROCHA,E.P.SOUZA . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 672 70.9 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 . 423 44.6 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 . 12 1.3 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 . 122 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 11 1 4 9 5 14 6 4 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 2 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 2,-0.1 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0-149.1 14.1 22.3 92.2 2 2 A D - 0 0 51 218,-0.1 2,-0.6 230,-0.1 213,-0.0 -0.474 360.0-135.8 -73.9 151.9 12.7 23.0 88.7 3 3 A T - 0 0 34 -2,-0.1 213,-0.8 2,-0.0 2,-0.5 -0.976 30.4-170.8-105.9 118.8 14.5 21.6 85.6 4 4 A I E +A 215 0A 1 -2,-0.6 26,-3.5 211,-0.2 2,-0.4 -0.965 25.2 174.7-122.4 126.0 14.7 24.3 83.0 5 5 A V E +AB 214 29A 2 209,-2.6 209,-2.9 -2,-0.5 2,-0.3 -0.992 29.4 164.8-111.9 130.4 15.8 24.3 79.4 6 6 A A E -AB 213 28A 1 22,-2.3 22,-2.7 -2,-0.4 2,-0.6 -0.988 41.6-142.4-143.8 153.6 15.2 27.7 77.9 7 7 A V E -AB 212 27A 2 205,-2.7 205,-2.7 -2,-0.3 2,-0.4 -0.990 34.9-154.2-109.3 120.1 16.0 30.0 75.0 8 8 A E E -AB 211 26A 0 18,-2.5 18,-2.5 -2,-0.6 2,-0.8 -0.763 22.7-159.0-100.1 139.8 16.3 33.4 76.4 9 9 A L E -AB 210 25A 0 201,-3.7 201,-1.6 -2,-0.4 2,-0.9 -0.904 29.0-166.5-104.9 88.6 15.8 36.7 74.6 10 10 A D E -AB 209 24A 0 14,-2.7 14,-2.4 -2,-0.8 199,-0.3 -0.743 16.7-179.5 -93.1 109.0 17.9 38.5 77.1 11 11 A T + 0 0 0 197,-1.1 198,-0.2 -2,-0.9 -1,-0.2 0.520 63.7 54.8 -85.3 -3.9 17.4 42.3 76.7 12 12 A Y S S- 0 0 58 196,-0.8 2,-0.8 10,-0.1 -1,-0.1 -0.991 77.1-129.1-140.3 128.0 19.7 43.4 79.4 13 13 A P + 0 0 21 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.684 23.9 176.3 -81.6 106.7 23.4 42.7 80.0 14 14 A N > > + 0 0 20 -2,-0.8 3,-2.0 1,-0.2 5,-1.7 -0.810 3.6 173.3-102.8 83.9 24.0 41.5 83.5 15 15 A T G > 5S+ 0 0 78 -2,-0.9 3,-1.7 1,-0.3 -1,-0.2 0.757 70.5 75.9 -69.1 -23.0 27.7 40.8 83.1 16 16 A D G 3 5S+ 0 0 117 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.708 103.0 38.0 -48.4 -29.4 27.8 40.2 86.8 17 17 A I G < 5S- 0 0 8 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.031 131.5 -87.0-120.5 25.2 26.1 36.8 86.1 18 18 A G T < 5S+ 0 0 48 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.387 76.5 145.5 93.3 -3.7 27.9 36.0 82.9 19 19 A D < - 0 0 7 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.379 55.0-113.8 -57.0 142.0 25.8 37.7 80.3 20 20 A P - 0 0 24 0, 0.0 2,-1.5 0, 0.0 -6,-0.1 -0.352 40.3 -96.8 -65.7 164.5 27.8 39.1 77.4 21 21 A N S S+ 0 0 115 -8,-0.1 -2,-0.0 -6,-0.1 18,-0.0 -0.318 99.6 54.0 -89.6 57.2 27.7 42.9 77.3 22 22 A Y S S- 0 0 83 -2,-1.5 -10,-0.1 -12,-0.1 -8,-0.1 -0.931 103.1 -73.9-167.9 158.2 24.9 43.4 74.8 23 23 A P + 0 0 22 0, 0.0 17,-2.8 0, 0.0 2,-0.3 -0.320 65.7 179.3 -52.2 147.0 21.3 42.1 74.4 24 24 A H E -BC 10 39A 0 -14,-2.4 -14,-2.7 15,-0.3 2,-0.4 -0.996 36.0-126.5-154.2 151.7 21.7 38.5 73.4 25 25 A I E -BC 9 38A 0 13,-2.1 13,-1.8 -2,-0.3 2,-0.3 -0.842 42.6-176.5 -94.6 144.9 19.8 35.3 72.5 26 26 A G E -BC 8 37A 0 -18,-2.5 -18,-2.5 -2,-0.4 2,-0.6 -0.988 31.6-132.8-147.3 152.9 20.9 32.4 74.7 27 27 A I E -BC 7 36A 0 9,-2.8 8,-3.1 -2,-0.3 9,-0.9 -0.935 26.0-165.4-109.5 120.1 20.5 28.7 75.3 28 28 A D E -B 6 0A 0 -22,-2.7 -22,-2.3 -2,-0.6 2,-0.7 -0.903 10.7-173.1-113.0 118.2 20.1 27.9 78.9 29 29 A I E S-B 5 0A 15 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.917 79.2 -39.9-114.3 99.5 20.5 24.4 80.2 30 30 A K S S+ 0 0 118 -26,-3.5 2,-0.3 -2,-0.7 -25,-0.1 0.648 128.4 70.9 56.0 23.5 19.5 24.4 83.9 31 31 A S S S- 0 0 9 -27,-0.2 4,-0.2 -25,-0.1 -25,-0.2 -0.956 78.0-132.0-159.8 149.7 21.2 27.7 84.5 32 32 A V S S+ 0 0 0 203,-0.3 2,-1.6 -2,-0.3 204,-0.1 0.614 92.4 92.8 -75.3 -16.4 20.5 31.4 83.6 33 33 A R S S- 0 0 102 -4,-0.1 -4,-0.3 -14,-0.0 -1,-0.1 -0.663 88.8-130.3 -81.5 91.4 24.2 31.3 82.6 34 34 A S - 0 0 24 -2,-1.6 -6,-0.3 1,-0.1 3,-0.2 0.019 9.5-144.1 -45.4 138.8 23.7 30.5 79.0 35 35 A K S S+ 0 0 96 -8,-3.1 2,-0.3 1,-0.3 -1,-0.1 0.768 91.4 8.2 -68.9 -23.0 25.7 27.6 77.6 36 36 A K E S-C 27 0A 100 -9,-0.9 -9,-2.8 41,-0.1 -1,-0.3 -0.963 70.2-178.9-161.1 131.4 25.8 29.6 74.3 37 37 A T E -C 26 0A 46 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.863 10.5-158.3-129.5 165.8 24.7 33.2 73.4 38 38 A A E -C 25 0A 22 -13,-1.8 -13,-2.1 -2,-0.3 2,-0.1 -0.964 38.0 -98.2-136.8 142.2 24.8 35.2 70.2 39 39 A K E -C 24 0A 121 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.386 39.8-156.6 -56.5 137.4 24.7 39.0 70.2 40 40 A W - 0 0 4 -17,-2.8 2,-2.3 -30,-0.2 26,-0.1 -0.960 14.6-144.9-126.4 117.1 21.1 40.2 69.5 41 41 A N - 0 0 75 -2,-0.5 30,-0.1 -19,-0.1 -17,-0.1 -0.496 28.0-158.4 -75.4 75.6 20.4 43.6 68.1 42 42 A M - 0 0 23 -2,-2.3 2,-0.7 -32,-0.1 -2,-0.0 -0.342 4.7-149.6 -60.2 137.0 17.3 44.1 70.1 43 43 A Q > - 0 0 24 3,-0.1 3,-2.5 -2,-0.1 156,-0.3 -0.892 14.3-136.9-119.0 94.6 14.9 46.7 68.5 44 44 A N T 3 S+ 0 0 69 -2,-0.7 156,-0.3 1,-0.3 3,-0.1 -0.326 88.3 10.3 -53.9 116.5 12.9 48.5 71.2 45 45 A G T 3 S+ 0 0 27 154,-3.5 2,-0.3 1,-0.3 -1,-0.3 0.458 101.1 117.1 90.7 -0.8 9.3 48.8 70.1 46 46 A K < - 0 0 112 -3,-2.5 153,-0.8 153,-0.5 2,-0.5 -0.723 69.4-115.5 -95.7 152.2 9.6 46.5 67.0 47 47 A V E -G 198 0B 60 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.757 42.1-178.5 -79.5 125.6 7.7 43.3 66.6 48 48 A G E -G 197 0B 0 149,-2.9 149,-2.1 -2,-0.5 2,-0.4 -0.771 18.1-141.9-118.0 172.8 10.2 40.3 66.5 49 49 A T E -GH 196 66B 32 17,-2.6 17,-2.9 -2,-0.3 2,-0.4 -1.000 7.1-161.8-136.8 133.9 9.9 36.6 66.1 50 50 A A E -GH 195 65B 0 145,-3.1 145,-2.5 -2,-0.4 2,-0.4 -0.939 4.1-166.6-112.7 136.9 11.9 33.8 67.8 51 51 A H E -GH 194 64B 67 13,-2.9 13,-2.2 -2,-0.4 2,-0.4 -0.993 2.7-169.2-121.8 132.5 12.0 30.3 66.4 52 52 A I E -GH 193 63B 1 141,-3.1 141,-2.4 -2,-0.4 2,-0.4 -0.987 8.4-177.4-124.3 129.2 13.4 27.5 68.6 53 53 A I E +GH 192 62B 87 9,-3.0 9,-2.9 -2,-0.4 2,-0.4 -0.990 9.5 174.1-132.7 132.0 14.1 24.1 67.0 54 54 A Y E -GH 191 61B 7 137,-2.8 137,-2.2 -2,-0.4 2,-0.4 -0.988 5.2-176.1-128.7 130.6 15.3 20.9 68.4 55 55 A N E >> -GH 190 60B 64 5,-1.0 4,-1.6 -2,-0.4 5,-1.0 -0.994 19.8-148.6-116.0 138.5 15.7 17.5 66.7 56 56 A S T 45S+ 0 0 9 133,-3.8 134,-0.1 -2,-0.4 26,-0.1 0.326 94.4 61.6 -79.0 4.8 16.8 14.5 68.8 57 57 A V T 45S+ 0 0 103 132,-0.2 -1,-0.2 3,-0.1 133,-0.1 0.853 117.6 27.6 -88.0 -53.2 18.6 13.0 65.8 58 58 A G T 45S- 0 0 46 2,-0.1 -2,-0.2 20,-0.0 3,-0.1 0.718 97.1-146.3 -79.2 -20.9 21.1 15.8 65.5 59 59 A K T <5 + 0 0 79 -4,-1.6 20,-1.7 1,-0.2 2,-0.4 0.906 51.5 134.9 53.1 48.1 20.7 16.6 69.2 60 60 A R E < -HI 55 78B 114 -5,-1.0 -5,-1.0 18,-0.2 2,-0.5 -0.988 45.6-153.9-132.9 117.8 21.2 20.3 68.4 61 61 A L E -HI 54 77B 2 16,-2.8 16,-2.1 -2,-0.4 2,-0.3 -0.840 23.0-179.7 -91.3 125.3 19.0 23.0 70.0 62 62 A S E -HI 53 76B 31 -9,-2.9 -9,-3.0 -2,-0.5 2,-0.3 -0.904 10.9-177.7-127.9 150.8 18.9 26.0 67.7 63 63 A A E -HI 52 75B 3 12,-2.9 12,-2.9 -2,-0.3 2,-0.3 -0.988 5.1-171.8-146.6 146.4 17.1 29.3 68.0 64 64 A V E -HI 51 74B 38 -13,-2.2 -13,-2.9 -2,-0.3 2,-0.4 -0.991 3.7-166.8-130.2 140.9 16.9 32.4 65.8 65 65 A V E +HI 50 73B 0 8,-2.1 8,-2.6 -2,-0.3 2,-0.3 -0.997 20.6 169.8-123.6 136.3 15.3 35.8 66.7 66 66 A S E -HI 49 72B 33 -17,-2.9 -17,-2.6 -2,-0.4 6,-0.2 -0.944 29.7-143.2-145.1 160.4 14.7 38.2 64.0 67 67 A Y > - 0 0 4 4,-2.0 3,-1.3 -2,-0.3 -19,-0.2 -0.942 32.1-118.9-118.5 141.4 13.0 41.4 63.1 68 68 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -20,-0.1 0.882 110.4 73.9 -39.9 -50.2 11.3 42.1 59.7 69 69 A N T 3 S- 0 0 113 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.888 122.0-107.5 -33.0 -50.2 13.8 44.9 59.1 70 70 A G S < S+ 0 0 48 -3,-1.3 -1,-0.2 1,-0.3 0, 0.0 0.113 74.1 137.4 147.2 -16.4 16.0 42.0 58.5 71 71 A D - 0 0 73 -5,-0.1 -4,-2.0 -30,-0.1 2,-0.4 -0.222 29.2-179.9 -58.4 138.1 18.3 41.8 61.5 72 72 A S E -I 66 0B 63 -6,-0.2 2,-0.4 2,-0.0 -6,-0.2 -0.987 18.4-164.2-150.0 133.0 18.7 38.2 62.7 73 73 A A E -I 65 0B 8 -8,-2.6 -8,-2.1 -2,-0.4 2,-0.4 -0.962 12.9-164.9-123.5 136.3 20.6 36.5 65.6 74 74 A T E +I 64 0B 87 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.905 10.1 175.7-126.8 141.6 21.3 32.7 65.7 75 75 A V E +I 63 0B 6 -12,-2.9 -12,-2.9 -2,-0.4 2,-0.3 -0.998 1.2 178.2-147.3 143.0 22.4 30.3 68.4 76 76 A S E -I 62 0B 24 -2,-0.3 2,-0.3 -14,-0.3 -14,-0.2 -0.965 3.1-174.9-140.9 151.3 22.8 26.5 68.6 77 77 A Y E -I 61 0B 75 -16,-2.1 -16,-2.8 -2,-0.3 2,-0.6 -0.954 25.6-126.1-152.2 132.6 24.0 24.1 71.2 78 78 A D E +I 60 0B 91 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.689 47.9 147.1 -82.7 120.6 24.6 20.4 71.1 79 79 A V - 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