==== 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 12-SEP-01 1JYI . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR D.JAIN,K.J.KAUR,B.SUNDARAVADIVEL,D.M.SALUNKE . 996 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 682 68.5 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 41.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 136 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 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 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 . 5 9 1 4 9 8 12 4 5 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 0 143 0, 0.0 2,-0.3 0, 0.0 232,-0.0 0.000 360.0 360.0 360.0 178.2 69.8 51.9 97.8 2 2 A D - 0 0 50 230,-0.2 2,-0.6 218,-0.1 213,-0.0 -0.795 360.0-125.4-106.6 146.0 68.1 52.5 101.1 3 3 A T - 0 0 42 -2,-0.3 213,-0.6 2,-0.0 2,-0.4 -0.782 37.6-172.6 -86.5 123.9 69.3 54.3 104.2 4 4 A I E +A 215 0A 2 -2,-0.6 26,-2.7 211,-0.2 2,-0.4 -0.981 22.1 177.3-128.9 132.3 68.9 51.9 107.1 5 5 A V E +AB 214 29A 2 209,-1.9 209,-2.2 -2,-0.4 2,-0.3 -0.998 26.0 163.2-126.1 128.5 69.4 52.3 110.9 6 6 A A E -AB 213 28A 3 22,-2.1 22,-3.4 -2,-0.4 2,-0.6 -0.999 41.9-140.8-153.2 153.4 68.6 49.2 112.9 7 7 A V E -AB 212 27A 3 205,-1.9 205,-2.0 -2,-0.3 2,-0.3 -0.973 35.8-158.8-111.3 114.3 68.9 47.4 116.2 8 8 A E E -AB 211 26A 0 18,-2.5 18,-1.9 -2,-0.6 2,-0.8 -0.773 23.3-154.3-102.4 142.6 69.3 43.7 115.4 9 9 A L E -AB 210 25A 0 201,-3.2 201,-1.3 -2,-0.3 2,-0.6 -0.807 27.9-162.7-110.3 82.0 68.7 40.7 117.6 10 10 A D E +AB 209 24A 1 14,-1.4 14,-1.8 -2,-0.8 199,-0.3 -0.588 17.6 178.6 -73.2 112.2 71.2 38.5 115.8 11 11 A T + 0 0 4 197,-1.1 198,-0.2 -2,-0.6 -1,-0.2 0.638 66.3 52.3 -90.2 -13.9 70.6 34.8 116.7 12 12 A Y S S- 0 0 60 196,-0.9 2,-0.8 10,-0.1 -1,-0.2 -0.978 77.1-135.5-128.9 124.0 73.3 33.3 114.5 13 13 A P - 0 0 41 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.650 19.1-178.2 -82.1 108.4 77.0 34.3 114.5 14 14 A N > > - 0 0 18 -2,-0.8 3,-2.3 1,-0.2 5,-1.6 -0.783 0.8-177.8-103.8 87.2 78.5 34.7 111.1 15 15 A T G > 5S+ 0 0 97 -2,-0.9 3,-1.2 1,-0.3 -1,-0.2 0.687 74.1 75.7 -60.2 -16.4 82.1 35.5 111.9 16 16 A D G 3 5S+ 0 0 98 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.726 103.8 36.9 -68.7 -18.2 82.8 35.9 108.2 17 17 A I G < 5S- 0 0 5 -3,-2.3 -1,-0.3 15,-0.1 -2,-0.2 0.130 131.4 -85.2-118.8 21.0 81.0 39.2 108.2 18 18 A G T < 5S+ 0 0 57 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.570 74.1 152.7 92.5 9.3 82.1 40.5 111.6 19 19 A D < - 0 0 8 -5,-1.6 -1,-0.2 1,-0.1 14,-0.0 -0.440 51.1-107.5 -72.3 141.9 79.5 38.8 113.9 20 20 A P - 0 0 19 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 -0.379 37.9-101.7 -66.8 154.3 80.6 38.1 117.5 21 21 A S S S+ 0 0 93 -6,-0.1 -2,-0.0 -7,-0.1 3,-0.0 0.125 101.8 34.4 -65.5 28.6 81.2 34.4 118.1 22 22 A Y S S- 0 0 73 -2,-1.3 -10,-0.1 -10,-0.1 -8,-0.1 -0.983 105.1 -57.4-171.7 163.2 77.8 34.2 119.9 23 23 A P + 0 0 15 0, 0.0 17,-2.0 0, 0.0 2,-0.3 -0.178 65.4 161.5 -49.3 141.1 74.2 35.6 119.9 24 24 A H E -BC 10 39A 0 -14,-1.8 -14,-1.4 15,-0.3 2,-0.4 -0.968 38.4-129.1-157.1 167.6 74.2 39.3 120.3 25 25 A I E +BC 9 38A 0 13,-1.9 13,-1.0 -2,-0.3 2,-0.3 -0.941 37.6 171.1-120.8 145.7 72.2 42.5 119.8 26 26 A G E -BC 8 37A 0 -18,-1.9 -18,-2.5 -2,-0.4 2,-0.5 -0.976 35.4-114.3-153.8 168.9 73.7 45.4 117.9 27 27 A I E -BC 7 36A 0 9,-1.8 8,-2.7 -2,-0.3 9,-0.8 -0.928 28.4-164.3-110.2 123.0 73.3 48.8 116.3 28 28 A D E -B 6 0A 0 -22,-3.4 -22,-2.1 -2,-0.5 2,-0.6 -0.918 9.6-170.6-110.5 128.2 73.6 49.0 112.5 29 29 A I E S-B 5 0A 22 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.803 80.2 -41.3-120.0 87.6 74.2 52.2 110.6 30 30 A K S S+ 0 0 115 -26,-2.7 2,-0.3 -2,-0.6 -25,-0.1 0.741 126.3 77.8 66.0 28.4 73.8 51.4 107.0 31 31 A S S S- 0 0 18 -27,-0.2 -2,-0.3 206,-0.1 4,-0.1 -0.912 76.1-134.4-165.1 134.5 75.8 48.2 107.3 32 32 A V S S+ 0 0 1 203,-0.5 2,-1.3 -2,-0.3 204,-0.1 0.721 92.1 90.2 -63.9 -17.6 75.0 44.7 108.5 33 33 A R S S- 0 0 97 -4,-0.1 -4,-0.3 -14,-0.0 -1,-0.1 -0.694 87.8-131.0 -82.5 96.6 78.4 45.0 110.3 34 34 A S - 0 0 27 -2,-1.3 -6,-0.2 1,-0.1 3,-0.2 -0.095 8.6-144.9 -50.3 141.8 77.2 46.5 113.6 35 35 A K S S+ 0 0 114 -8,-2.7 2,-0.3 1,-0.3 -1,-0.1 0.634 90.6 14.9 -81.9 -16.4 79.0 49.6 115.0 36 36 A K E S-C 27 0A 98 -9,-0.8 -9,-1.8 41,-0.1 -1,-0.3 -0.919 72.2-176.3-159.7 129.3 78.5 48.2 118.5 37 37 A T E -C 26 0A 55 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.715 7.5-164.1-123.2 176.0 77.5 44.8 119.8 38 38 A A E -C 25 0A 21 -13,-1.0 -13,-1.9 -2,-0.2 35,-0.1 -0.868 32.8-104.0-163.7 124.8 76.7 43.1 123.1 39 39 A K E -C 24 0A 93 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.110 38.0-161.8 -48.3 145.6 76.5 39.5 124.1 40 40 A W - 0 0 5 -17,-2.0 2,-2.1 -30,-0.1 920,-0.1 -0.973 20.9-140.9-141.1 122.2 72.9 38.3 124.4 41 41 A N - 0 0 69 -2,-0.4 921,-0.3 918,-0.1 30,-0.1 -0.462 28.7-157.8 -80.6 67.7 71.7 35.2 126.3 42 42 A M - 0 0 0 -2,-2.1 2,-0.8 1,-0.1 916,-0.1 -0.214 2.1-150.6 -47.4 122.0 69.0 34.3 123.7 43 43 A Q > - 0 0 13 3,-0.1 3,-2.2 918,-0.1 -1,-0.1 -0.705 13.9-138.7-106.6 85.7 66.5 32.1 125.5 44 44 A N T 3 S+ 0 0 0 -2,-0.8 912,-0.5 915,-0.5 156,-0.2 -0.028 82.3 12.1 -43.2 127.4 65.0 29.8 122.9 45 45 A G T 3 S+ 0 0 22 154,-2.5 2,-0.3 1,-0.2 -1,-0.3 0.311 102.3 110.4 87.2 -8.0 61.2 29.4 123.2 46 46 A K S < S- 0 0 49 -3,-2.2 153,-0.5 153,-0.3 2,-0.3 -0.785 70.9-114.5-105.3 145.8 60.6 32.2 125.7 47 47 A V E -H 198 0B 62 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.579 39.3-176.2 -75.6 131.1 58.9 35.5 125.2 48 48 A G E -H 197 0B 0 149,-2.2 149,-1.7 -2,-0.3 2,-0.4 -0.815 18.1-132.8-125.6 167.2 61.2 38.5 125.5 49 49 A T E -HI 196 66B 40 17,-2.6 17,-2.1 -2,-0.3 2,-0.4 -0.939 12.0-158.7-122.3 145.7 60.8 42.3 125.4 50 50 A A E -HI 195 65B 1 145,-1.9 145,-1.4 -2,-0.4 2,-0.4 -0.987 4.1-168.7-126.4 132.7 62.9 44.8 123.4 51 51 A H E -HI 194 64B 84 13,-2.1 13,-2.2 -2,-0.4 2,-0.4 -0.985 5.1-179.7-122.8 123.8 63.2 48.5 124.3 52 52 A I E +HI 193 63B 3 141,-2.6 141,-2.7 -2,-0.4 2,-0.3 -0.988 10.1 172.7-123.6 132.7 64.8 51.0 121.9 53 53 A I E +HI 192 62B 87 9,-2.4 9,-2.5 -2,-0.4 2,-0.3 -0.951 6.0 168.0-138.1 156.9 65.0 54.7 122.8 54 54 A Y E -H 191 0B 17 137,-1.5 137,-1.6 -2,-0.3 2,-0.3 -0.971 7.2-177.9-164.3 155.0 66.7 57.8 121.4 55 55 A N E >> -H 190 0B 37 5,-0.3 4,-2.1 -2,-0.3 5,-0.7 -0.962 31.3-128.5-157.6 146.6 66.6 61.6 121.9 56 56 A S T 45S+ 0 0 19 133,-2.4 134,-0.1 -2,-0.3 26,-0.0 0.484 102.5 66.9 -79.0 -3.0 68.4 64.5 120.1 57 57 A V T 45S+ 0 0 102 132,-0.2 -1,-0.2 1,-0.1 133,-0.0 0.941 119.9 20.4 -79.1 -50.1 69.8 66.1 123.3 58 58 A D T 45S- 0 0 103 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.758 91.9-150.3 -83.2 -28.3 72.1 63.0 124.0 59 59 A K T <5 + 0 0 57 -4,-2.1 20,-2.2 1,-0.2 2,-0.5 0.867 50.2 136.3 53.5 40.0 72.0 61.9 120.4 60 60 A R E < - J 0 78B 103 -5,-0.7 2,-0.5 18,-0.2 -5,-0.3 -0.970 47.2-151.7-122.5 120.5 72.5 58.4 121.7 61 61 A L E + J 0 77B 3 16,-1.9 16,-2.1 -2,-0.5 2,-0.3 -0.807 26.2 177.5 -90.7 123.7 70.5 55.4 120.3 62 62 A S E -IJ 53 76B 18 -9,-2.5 -9,-2.4 -2,-0.5 2,-0.3 -0.899 12.7-175.6-129.1 158.2 70.1 52.7 123.0 63 63 A A E -IJ 52 75B 3 12,-2.3 12,-1.9 -2,-0.3 2,-0.4 -0.998 8.7-163.0-152.0 150.4 68.4 49.3 123.4 64 64 A V E -IJ 51 74B 51 -13,-2.2 -13,-2.1 -2,-0.3 2,-0.4 -0.989 4.5-166.0-138.3 128.3 67.8 46.6 126.0 65 65 A V E +IJ 50 73B 3 8,-2.4 8,-2.4 -2,-0.4 2,-0.3 -0.923 21.5 161.1-112.8 137.8 66.7 43.1 125.4 66 66 A S E -IJ 49 72B 36 -17,-2.1 -17,-2.6 -2,-0.4 6,-0.2 -0.991 30.6-149.7-154.1 161.2 65.4 41.0 128.3 67 67 A Y > - 0 0 7 4,-0.7 3,-1.9 -2,-0.3 -19,-0.2 -0.955 48.3 -85.1-127.9 146.5 63.4 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 -0.199 112.4 3.4 -53.8 139.7 61.5 37.7 132.6 69 69 A N T 3 S+ 0 0 176 1,-0.2 2,-0.2 894,-0.0 -3,-0.0 0.650 118.8 97.4 58.1 15.3 63.6 36.6 135.7 70 70 A A S < S- 0 0 23 -3,-1.9 -1,-0.2 1,-0.1 2,-0.1 -0.626 80.2 -83.9-120.9-179.0 66.6 36.6 133.3 71 71 A D - 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