==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 10-FEB-03 1NXD . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR F.J.LOPEZ-JARAMILLO,L.A.GONZALEZ-RAMIREZ,A.ALBERT,F.SANTOYO- . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 653 68.9 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 . 402 42.4 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 . 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 . 105 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 12 9 5 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 5 0 0 0 0 0 0 0 1 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 1 A 0 0 133 0, 0.0 232,-0.0 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 164.2 36.6 35.2 95.4 2 2 1 D - 0 0 45 218,-0.2 2,-0.5 230,-0.1 213,-0.0 -0.205 360.0-123.3 -69.2 165.7 38.1 35.3 91.9 3 3 1 T - 0 0 40 2,-0.0 213,-0.7 26,-0.0 2,-0.4 -0.971 35.5-169.2-112.9 120.4 36.1 36.6 88.9 4 4 1 I E +A 215 0A 3 -2,-0.5 26,-3.0 211,-0.2 2,-0.4 -0.939 24.6 175.1-124.4 135.4 35.9 34.0 86.2 5 5 1 V E +AB 214 29A 2 209,-2.1 209,-2.7 -2,-0.4 2,-0.3 -1.000 29.8 161.6-126.7 126.7 34.7 33.9 82.5 6 6 1 A E -AB 213 28A 2 22,-2.7 22,-3.6 -2,-0.4 2,-0.6 -0.984 43.6-137.7-151.0 160.9 35.3 30.6 80.8 7 7 1 V E -AB 212 27A 2 205,-2.5 205,-2.0 -2,-0.3 2,-0.4 -0.984 35.0-155.7-115.6 114.4 34.5 28.2 78.0 8 8 1 E E -AB 211 26A 0 18,-2.3 18,-2.1 -2,-0.6 2,-0.8 -0.772 22.0-159.6-100.5 140.6 34.2 24.7 79.4 9 9 1 L E -AB 210 25A 0 201,-3.4 201,-1.8 -2,-0.4 2,-0.8 -0.872 28.8-164.9-111.3 84.4 34.6 21.5 77.5 10 10 1 D E -AB 209 24A 1 14,-2.0 14,-2.3 -2,-0.8 199,-0.2 -0.692 17.6-178.8 -83.2 107.6 32.7 19.5 80.1 11 11 1 T + 0 0 0 197,-1.0 198,-0.2 -2,-0.8 -1,-0.1 0.601 64.2 56.8 -82.9 -11.9 33.2 15.8 79.7 12 12 1 Y S S- 0 0 64 196,-0.9 2,-1.1 12,-0.1 -1,-0.1 -0.973 76.8-129.8-128.8 132.3 30.9 14.6 82.5 13 13 1 P + 0 0 30 0, 0.0 2,-1.3 0, 0.0 3,-0.2 -0.610 23.5 178.5 -80.7 97.0 27.2 15.3 83.0 14 14 1 N > > + 0 0 23 -2,-1.1 3,-1.9 1,-0.2 5,-1.7 -0.664 7.1 171.1 -95.6 78.3 26.7 16.5 86.6 15 15 1 T G > 5 + 0 0 81 -2,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.761 67.1 73.7 -61.4 -24.9 22.9 17.0 86.3 16 16 1 D G 3 5S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.754 105.2 38.8 -61.3 -23.1 22.6 17.6 90.0 17 17 1 I G < 5S- 0 0 7 -3,-1.9 -1,-0.3 15,-0.0 -2,-0.2 -0.041 132.6 -80.9-118.9 33.4 24.2 21.0 89.3 18 18 1 G T < 5S+ 0 0 55 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.320 79.3 142.4 93.6 -11.0 22.6 22.0 86.0 19 19 1 D < - 0 0 11 -5,-1.7 -1,-0.3 1,-0.1 2,-0.1 -0.325 54.1-115.3 -62.8 147.5 24.6 20.1 83.5 20 20 1 P - 0 0 23 0, 0.0 2,-2.1 0, 0.0 -1,-0.1 -0.423 37.7 -94.6 -78.3 164.3 22.7 18.7 80.6 21 21 1 S S S+ 0 0 99 -2,-0.1 -2,-0.0 -6,-0.1 3,-0.0 -0.266 100.9 47.6 -78.7 55.6 22.5 14.9 80.3 22 22 1 Y S S- 0 0 83 -2,-2.1 -8,-0.1 -10,-0.0 -10,-0.1 -0.934 100.7 -71.4-179.6 158.1 25.5 14.6 77.9 23 23 1 P + 0 0 29 0, 0.0 17,-2.6 0, 0.0 2,-0.3 -0.361 66.5 167.6 -58.1 145.5 29.1 15.8 77.3 24 24 1 H E -BC 10 39A 0 -14,-2.3 -14,-2.0 15,-0.3 2,-0.3 -0.978 38.5-126.2-157.6 165.2 28.8 19.5 76.4 25 25 1 I E +BC 9 38A 0 13,-2.3 13,-2.1 -2,-0.3 2,-0.3 -0.867 37.4 176.5-113.0 151.6 30.6 22.7 75.8 26 26 1 G E -BC 8 37A 0 -18,-2.1 -18,-2.3 -2,-0.3 2,-0.6 -0.986 34.9-118.9-154.8 164.9 29.5 25.8 77.6 27 27 1 I E -BC 7 36A 0 9,-2.3 8,-2.4 -2,-0.3 9,-0.9 -0.941 29.9-162.0-108.1 118.8 30.0 29.5 78.4 28 28 1 D E -B 6 0A 0 -22,-3.6 -22,-2.7 -2,-0.6 2,-0.7 -0.910 9.2-175.3-108.0 116.9 30.5 30.2 82.1 29 29 1 I E S-B 5 0A 17 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.886 77.3 -40.5-114.2 98.0 30.0 33.7 83.4 30 30 1 K S S+ 0 0 127 -26,-3.0 2,-0.3 -2,-0.7 -25,-0.1 0.660 129.0 71.6 58.7 20.7 31.0 33.8 87.1 31 31 1 S S S- 0 0 11 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.960 76.5-134.5-161.8 144.1 29.3 30.4 87.6 32 32 1 V S S+ 0 0 2 205,-0.6 2,-1.4 203,-0.4 204,-0.1 0.688 91.7 89.6 -72.9 -18.6 30.0 26.8 86.8 33 33 1 R S S- 0 0 101 204,-0.4 -4,-0.3 -4,-0.1 -1,-0.1 -0.701 90.8-128.2 -81.8 96.6 26.3 26.6 85.8 34 34 1 S - 0 0 27 -2,-1.4 -6,-0.2 1,-0.1 3,-0.1 -0.092 9.2-144.3 -48.9 138.3 26.8 27.6 82.1 35 35 1 K S S+ 0 0 101 -8,-2.4 2,-0.3 1,-0.3 -1,-0.1 0.729 91.0 11.4 -75.3 -22.6 24.6 30.5 80.8 36 36 1 K E S-C 27 0A 105 -9,-0.9 -9,-2.3 41,-0.1 2,-0.3 -0.974 71.8-177.0-155.7 140.1 24.6 28.5 77.5 37 37 1 T E -C 26 0A 48 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.908 9.9-160.0-136.5 164.3 25.6 25.0 76.4 38 38 1 A E -C 25 0A 19 -13,-2.1 -13,-2.3 -2,-0.3 2,-0.1 -0.986 35.9 -99.8-142.7 143.7 25.8 22.9 73.3 39 39 1 K E -C 24 0A 106 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.411 38.3-157.4 -64.9 140.0 25.9 19.1 73.0 40 40 1 W - 0 0 5 -17,-2.6 2,-1.9 -30,-0.1 26,-0.1 -0.966 15.9-153.2-128.1 117.5 29.5 17.9 72.4 41 41 1 N - 0 0 101 -2,-0.5 -17,-0.1 30,-0.2 -2,-0.0 -0.543 28.5-168.8 -85.1 74.1 30.3 14.5 70.9 42 42 1 M - 0 0 30 -2,-1.9 2,-0.6 1,-0.1 -2,-0.0 -0.352 12.4-140.2 -66.5 145.1 33.6 14.2 72.6 43 43 1 Q > - 0 0 74 3,-0.2 3,-2.1 -2,-0.0 156,-0.3 -0.911 12.8-130.8-115.0 106.8 35.9 11.4 71.3 44 44 1 N T 3 S+ 0 0 68 -2,-0.6 156,-0.3 1,-0.3 3,-0.1 -0.321 91.2 7.2 -55.5 119.4 37.8 9.5 73.9 45 45 1 G T 3 S+ 0 0 28 154,-3.0 2,-0.3 1,-0.3 -1,-0.3 0.439 101.4 112.1 89.6 -0.4 41.5 9.3 72.8 46 46 1 K S < S- 0 0 114 -3,-2.1 153,-0.7 153,-0.4 2,-0.4 -0.813 70.2-112.0-108.4 148.9 41.3 11.6 69.7 47 47 1 V E -H 198 0B 62 -2,-0.3 2,-0.2 151,-0.2 151,-0.2 -0.649 41.2-177.6 -80.2 126.2 43.0 15.0 69.4 48 48 1 G E -H 197 0B 0 149,-2.7 149,-2.4 -2,-0.4 2,-0.4 -0.713 16.9-135.8-118.5 171.3 40.5 17.9 69.2 49 49 1 T E -HI 196 66B 58 17,-2.5 17,-2.2 147,-0.2 2,-0.4 -0.974 7.9-159.4-130.8 143.7 40.6 21.6 68.8 50 50 1 A E -HI 195 65B 2 145,-2.7 145,-1.9 -2,-0.4 2,-0.4 -0.972 5.2-169.3-123.1 138.1 38.9 24.5 70.5 51 51 1 H E -HI 194 64B 65 13,-2.4 13,-2.6 -2,-0.4 2,-0.4 -0.995 4.5-174.3-130.5 124.6 38.4 28.0 69.1 52 52 1 I E +HI 193 63B 0 141,-3.3 141,-2.3 -2,-0.4 2,-0.3 -0.978 6.5 176.4-124.3 132.9 37.1 30.9 71.2 53 53 1 I E +HI 192 62B 71 9,-2.7 9,-2.5 -2,-0.4 2,-0.3 -0.966 8.9 162.8-138.3 152.9 36.3 34.4 69.9 54 54 1 Y E -H 191 0B 14 137,-1.8 137,-2.4 -2,-0.3 2,-0.3 -0.947 7.4-176.1-163.6 142.8 34.9 37.7 71.2 55 55 1 N E >> -H 190 0B 44 -2,-0.3 4,-2.0 5,-0.3 5,-0.5 -0.983 33.0-124.3-143.3 153.2 34.9 41.3 70.0 56 56 1 S T 45S+ 0 0 28 133,-3.1 134,-0.1 -2,-0.3 26,-0.0 0.478 104.5 63.8 -76.5 -3.4 33.6 44.5 71.5 57 57 1 V T 45S+ 0 0 99 132,-0.3 -1,-0.2 3,-0.1 133,-0.1 0.933 120.0 19.0 -83.5 -52.9 31.4 45.3 68.5 58 58 1 D T 45S- 0 0 102 2,-0.1 -2,-0.2 -3,-0.0 3,-0.1 0.693 88.0-149.7 -89.2 -21.2 29.1 42.3 68.8 59 59 1 K T <5 + 0 0 45 -4,-2.0 20,-1.9 1,-0.2 2,-0.5 0.920 48.2 138.7 49.9 49.7 29.9 41.6 72.4 60 60 1 R E < - J 0 78B 132 -5,-0.5 2,-0.7 18,-0.2 -5,-0.3 -0.971 46.1-149.3-129.4 116.8 29.2 37.9 71.8 61 61 1 L E + J 0 77B 2 16,-2.6 16,-1.9 -2,-0.5 2,-0.3 -0.763 27.2 176.3 -87.2 117.1 31.4 35.2 73.3 62 62 1 S E -IJ 53 76B 18 -9,-2.5 -9,-2.7 -2,-0.7 2,-0.3 -0.904 13.4-172.3-124.4 152.3 31.5 32.2 70.9 63 63 1 A E -IJ 52 75B 0 12,-2.3 12,-2.1 -2,-0.3 2,-0.4 -0.996 7.5-163.3-143.1 146.2 33.4 28.9 70.9 64 64 1 V E -IJ 51 74B 47 -13,-2.6 -13,-2.4 -2,-0.3 2,-0.4 -0.996 9.3-176.8-131.4 123.9 33.7 26.0 68.4 65 65 1 V E +IJ 50 73B 2 8,-2.6 8,-2.9 -2,-0.4 2,-0.3 -0.983 18.9 145.3-123.4 130.7 35.0 22.6 69.4 66 66 1 S E -I 49 0B 38 -17,-2.2 -17,-2.5 -2,-0.4 6,-0.1 -0.962 39.3-129.6-156.3 173.3 35.6 19.8 67.0 67 67 1 Y > - 0 0 9 -2,-0.3 3,-1.7 -19,-0.2 -19,-0.1 -0.938 50.3 -84.7-125.3 146.9 37.5 16.8 65.8 68 68 1 P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.251 114.0 9.8 -54.1 137.6 38.9 16.3 62.3 69 69 1 N T 3 S+ 0 0 183 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.704 111.3 100.8 64.8 23.9 36.3 14.9 59.9 70 70 1 A S < S- 0 0 41 -3,-1.7 2,-0.2 0, 0.0 -1,-0.2 -0.912 82.7 -93.6-133.3 160.0 33.4 15.3 62.4 71 71 1 D - 0 0 155 -2,-0.3 -30,-0.2 -3,-0.1 -4,-0.2 -0.561 47.4-126.7 -73.6 137.1 30.7 17.8 62.9 72 72 1 S - 0 0 71 -2,-0.2 2,-0.4 -6,-0.1 -6,-0.2 -0.320 8.7-128.4 -82.1 166.0 31.7 20.6 65.3 73 73 1 A E -J 65 0B 11 -8,-2.9 -8,-2.6 -2,-0.1 2,-0.4 -0.932 26.5-169.5-114.1 139.2 29.9 21.8 68.4 74 74 1 T E +J 64 0B 85 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.975 10.0 178.6-132.5 141.2 29.2 25.6 68.7 75 75 1 V E -J 63 0B 5 -12,-2.1 -12,-2.3 -2,-0.4 2,-0.3 -0.991 4.0-178.6-144.0 138.6 28.0 27.7 71.6 76 76 1 S E -J 62 0B 35 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.985 4.6-178.6-137.7 148.1 27.5 31.5 71.8 77 77 1 Y E -J 61 0B 80 -16,-1.9 -16,-2.6 -2,-0.3 2,-0.5 -0.970 26.3-128.8-149.6 129.7 26.3 33.9 74.4 78 78 1 D E +J 60 0B 100 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.680 45.8 149.5 -79.6 123.2 25.8 37.6 74.3 79 79 1 V - 0 0 19 -20,-1.9 2,-1.1 -2,-0.5 -2,-0.1 -0.956 46.6-133.9-157.9 134.6 27.7 39.2 77.2 80 80 1 D > - 0 0 55 -2,-0.3 3,-1.9 1,-0.2 4,-0.3 -0.787 17.9-165.9 -90.9 98.3 29.3 42.6 77.8 81 81 1 L G >> S+ 0 0 2 -2,-1.1 4,-2.5 1,-0.3 3,-1.2 0.698 81.4 73.9 -59.4 -18.2 32.7 41.6 79.3 82 82 1 D G 34 S+ 0 0 43 1,-0.3 -1,-0.3 2,-0.2 102,-0.1 0.828 99.8 45.4 -62.4 -32.2 33.2 45.2 80.4 83 83 1 N G <4 S+ 0 0 134 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.402 121.1 38.9 -91.4 0.7 30.6 44.6 83.1 84 84 1 V T <4 S+ 0 0 27 -3,-1.2 -2,-0.2 -4,-0.3 -3,-0.1 0.782 108.7 45.2-115.0 -52.8 32.0 41.3 84.1 85 85 1 L S < S- 0 0 7 -4,-2.5 -1,-0.2 1,-0.1 4,-0.1 -0.579 80.8-107.7 -98.7 158.6 35.8 41.3 84.2 86 86 1 P - 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