==== 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 METAL BINDING PROTEIN 06-AUG-03 1Q56 . COMPND 2 MOLECULE: AGRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.STETEFELD,A.T.ALEXANDRESCU,M.W.MACIEJEWSKI,M.JENNY, . 195 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10854.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 59.0 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 . 59 30.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 28 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 2.6 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+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 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 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 . 1 4 1 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 G 0 0 142 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-139.1 -20.9 -35.0 -36.3 2 2 A S - 0 0 116 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.974 360.0-168.7-126.0 127.9 -19.2 -31.8 -35.1 3 3 A E - 0 0 182 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.150 45.4-121.8 -98.3 21.5 -21.0 -28.9 -33.3 4 4 A K - 0 0 189 1,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.111 33.2 -79.7 66.9-172.8 -17.9 -26.6 -33.5 5 5 A V - 0 0 121 -3,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.869 44.1-168.5-132.6 102.9 -16.4 -25.1 -30.4 6 6 A I - 0 0 134 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.0 -0.547 11.4-149.5 -87.0 155.3 -18.1 -22.1 -28.8 7 7 A I + 0 0 157 -2,-0.2 2,-0.5 1,-0.0 -1,-0.0 -0.697 39.5 138.7-125.9 82.7 -16.4 -20.0 -26.0 8 8 A E + 0 0 165 -2,-0.4 2,-0.5 2,-0.0 -2,-0.1 -0.742 15.5 141.4-126.8 87.7 -19.1 -18.5 -23.7 9 9 A K + 0 0 190 -2,-0.5 2,-0.5 2,-0.0 -2,-0.0 -0.910 13.5 167.7-130.5 109.6 -18.0 -18.7 -20.0 10 10 A A + 0 0 100 -2,-0.5 3,-0.1 1,-0.1 -2,-0.0 -0.743 8.0 160.7-121.6 86.8 -18.8 -15.8 -17.6 11 11 A A - 0 0 108 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.094 63.0 -99.9 -91.1 26.3 -18.2 -16.9 -14.0 12 12 A G - 0 0 60 1,-0.1 -1,-0.3 3,-0.0 2,-0.0 0.049 27.0-119.9 76.7 165.4 -18.0 -13.2 -12.9 13 13 A D + 0 0 136 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.446 62.9 121.3-143.8 68.6 -14.7 -11.4 -12.4 14 14 A A - 0 0 67 2,-0.1 2,-3.4 -2,-0.0 -1,-0.1 -0.464 31.4-178.4-128.5 63.4 -14.4 -10.1 -8.8 15 15 A E + 0 0 61 -2,-0.1 2,-0.4 2,-0.0 154,-0.3 -0.251 22.8 165.5 -60.6 71.3 -11.3 -11.7 -7.3 16 16 A A - 0 0 14 -2,-3.4 2,-0.5 152,-0.1 152,-0.2 -0.760 19.3-169.1 -95.4 137.0 -11.8 -10.0 -3.9 17 17 A I E -A 167 0A 6 150,-1.3 150,-1.3 -2,-0.4 174,-0.3 -0.959 12.2-144.5-127.4 118.2 -9.8 -11.2 -0.9 18 18 A A E -A 166 0A 17 -2,-0.5 172,-0.5 148,-0.2 148,-0.3 -0.560 14.1-152.3 -80.8 142.5 -10.7 -10.1 2.7 19 19 A F - 0 0 12 146,-3.3 145,-0.1 -2,-0.2 125,-0.0 -0.587 12.9-156.5-106.6 172.1 -7.9 -9.5 5.2 20 20 A D - 0 0 71 -2,-0.2 144,-0.3 143,-0.2 -1,-0.1 0.408 57.8 -89.6-127.3 -3.6 -8.0 -9.8 9.0 21 21 A G S S+ 0 0 21 142,-1.3 141,-0.9 123,-0.2 143,-0.2 0.285 122.6 53.1 110.2 -9.8 -5.1 -7.6 10.0 22 22 A R S S+ 0 0 198 141,-0.2 124,-0.1 140,-0.1 142,-0.1 0.575 71.8 112.7-127.7 -25.0 -2.6 -10.4 10.0 23 23 A T - 0 0 11 140,-0.2 2,-0.5 1,-0.1 140,-0.2 -0.249 48.2-164.7 -52.9 133.8 -2.9 -12.0 6.5 24 24 A Y - 0 0 35 159,-0.1 2,-1.2 121,-0.1 120,-0.2 -0.940 13.6-149.6-128.2 114.5 0.3 -11.4 4.5 25 25 A M E -H 143 0B 8 118,-1.0 2,-1.4 -2,-0.5 118,-1.2 -0.648 13.6-168.2 -83.2 99.1 0.4 -11.9 0.7 26 26 A E E -H 142 0B 39 -2,-1.2 2,-1.1 156,-0.3 116,-0.2 -0.639 8.2-179.8 -87.8 88.0 4.0 -12.9 0.0 27 27 A Y E -H 141 0B 3 114,-2.5 114,-1.8 -2,-1.4 2,-0.9 -0.717 3.7-173.9 -92.2 97.0 4.1 -12.6 -3.8 28 28 A H + 0 0 82 -2,-1.1 2,-0.3 112,-0.2 112,-0.1 -0.763 28.2 132.1 -92.1 104.4 7.7 -13.6 -4.7 29 29 A N - 0 0 67 -2,-0.9 2,-0.4 109,-0.2 -2,-0.0 -0.969 42.4-139.8-147.4 163.0 8.1 -12.9 -8.5 30 30 A A - 0 0 26 -2,-0.3 3,-0.3 1,-0.1 109,-0.2 -0.982 13.8-139.1-129.8 137.7 10.5 -11.3 -10.9 31 31 A V S S- 0 0 58 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.947 89.4 -16.6 -58.8 -47.9 9.8 -9.2 -14.0 32 32 A T > - 0 0 83 0, 0.0 2,-1.2 0, 0.0 3,-1.0 -0.743 62.4-130.0-163.2 110.5 12.6 -10.8 -16.1 33 33 A K T 3 S+ 0 0 176 -3,-0.3 105,-0.0 -2,-0.2 -3,-0.0 -0.421 92.5 58.2 -62.9 97.3 15.6 -12.9 -14.9 34 34 A S T 3 S+ 0 0 101 -2,-1.2 -1,-0.2 0, 0.0 0, 0.0 0.029 108.1 23.4 175.3 -51.6 18.4 -11.0 -16.8 35 35 A E < - 0 0 165 -3,-1.0 -2,-0.1 0, 0.0 0, 0.0 0.851 62.2-178.8-101.7 -67.3 18.6 -7.3 -16.0 36 36 A K + 0 0 85 -4,-0.4 102,-0.1 1,-0.1 -3,-0.0 0.990 51.5 94.3 63.0 77.2 17.0 -6.6 -12.6 37 37 A A - 0 0 57 100,-0.1 99,-0.1 99,-0.1 101,-0.1 0.165 51.7-177.6 172.6 44.4 17.5 -2.8 -12.3 38 38 A L - 0 0 52 99,-0.3 97,-0.2 1,-0.1 3,-0.1 0.145 21.5-145.7 -47.8 173.6 14.3 -1.0 -13.5 39 39 A Q S S+ 0 0 118 1,-0.4 72,-1.6 95,-0.1 2,-0.3 0.569 76.9 7.0-119.9 -20.6 14.3 2.9 -13.6 40 40 A S E -B 110 0A 32 70,-0.2 -1,-0.4 71,-0.0 2,-0.3 -0.979 63.9-160.0-160.7 146.2 10.6 3.5 -12.8 41 41 A N E -B 109 0A 8 68,-1.7 68,-2.0 -2,-0.3 2,-0.4 -0.949 9.4-141.9-133.2 155.3 7.6 1.4 -11.6 42 42 A H E -B 108 0A 80 -2,-0.3 131,-1.0 66,-0.2 2,-0.5 -0.895 12.2-161.6-114.7 144.0 3.8 1.8 -11.6 43 43 A F E +BC 107 172A 14 64,-1.4 64,-1.1 -2,-0.4 2,-0.4 -0.963 12.7 172.1-129.0 121.8 1.5 0.5 -8.8 44 44 A E E +BC 106 171A 20 127,-3.2 127,-1.9 -2,-0.5 2,-0.3 -0.957 12.2 135.6-127.9 147.2 -2.2 -0.1 -9.1 45 45 A L E -B 105 0A 8 60,-1.6 60,-2.2 -2,-0.4 2,-0.3 -0.889 33.4-141.0 179.9 150.2 -4.8 -1.6 -6.7 46 46 A S E -BC 104 168A 18 122,-2.0 122,-2.1 -2,-0.3 2,-0.3 -0.873 22.3-170.6-120.2 154.1 -8.2 -1.2 -5.3 47 47 A I E -BC 103 167A 0 56,-1.1 56,-2.2 -2,-0.3 2,-0.7 -0.995 29.0-143.7-147.5 155.1 -9.3 -1.8 -1.7 48 48 A K E - C 0 166A 27 118,-4.5 118,-1.7 -2,-0.3 54,-0.1 -0.785 34.6-167.1-112.6 82.7 -12.3 -2.1 0.6 49 49 A T - 0 0 1 -2,-0.7 51,-0.7 48,-0.6 116,-0.1 -0.242 15.6-172.0 -70.2 163.6 -11.0 -0.6 3.8 50 50 A E + 0 0 68 114,-0.1 -1,-0.1 49,-0.1 48,-0.1 0.049 69.5 13.4-145.4 29.8 -12.8 -1.0 7.1 51 51 A A S S- 0 0 41 3,-0.0 47,-0.1 1,-0.0 3,-0.1 -0.162 84.6-103.6-162.2 -96.7 -11.1 1.2 9.6 52 52 A T S S+ 0 0 59 1,-0.4 24,-1.6 21,-0.1 25,-0.5 0.123 90.1 58.7 176.1 -35.9 -8.4 3.9 9.0 53 53 A Q + 0 0 49 21,-0.2 -1,-0.4 22,-0.2 21,-0.2 -0.935 60.2 106.1-119.2 138.8 -5.0 2.5 10.0 54 54 A G E -I 73 0B 0 19,-1.9 19,-3.8 -2,-0.4 2,-0.4 -0.593 62.0-107.5 160.8 135.8 -3.3 -0.6 8.5 55 55 A L E -I 72 0B 0 103,-1.1 108,-0.7 106,-0.4 17,-0.3 -0.666 29.1-176.3 -84.9 131.7 -0.4 -1.2 6.0 56 56 A I E + 0 0 2 15,-3.4 88,-1.3 -2,-0.4 2,-0.4 0.818 60.2 18.0 -95.7 -40.3 -1.5 -2.4 2.6 57 57 A L E +IJ 71 143B 5 14,-2.7 14,-3.5 86,-0.3 2,-0.3 -0.988 49.3 171.1-141.1 148.4 1.7 -3.0 0.6 58 58 A W E +IJ 70 142B 20 84,-4.0 84,-1.7 -2,-0.4 2,-0.3 -0.956 11.4 169.2-152.0 129.1 5.4 -3.6 1.2 59 59 A S E +I 69 0B 7 10,-3.6 10,-1.5 -2,-0.3 2,-0.2 -0.937 16.7 119.9-138.7 163.3 8.1 -4.7 -1.4 60 60 A G + 0 0 4 -2,-0.3 78,-0.8 8,-0.2 80,-0.5 -0.565 6.0 158.3-178.4-112.9 11.9 -4.9 -1.6 61 61 A K + 0 0 115 76,-0.2 77,-1.4 -2,-0.2 79,-0.2 0.953 59.8 79.2 61.1 90.7 14.2 -7.9 -2.2 62 62 A G S S+ 0 0 47 1,-0.6 2,-0.2 75,-0.2 75,-0.1 0.161 92.6 23.2 168.3 -24.8 17.5 -6.5 -3.5 63 63 A L - 0 0 45 3,-0.2 -1,-0.6 4,-0.2 -2,-0.1 -0.749 67.5-119.3-143.4-168.1 19.4 -5.1 -0.5 64 64 A E S S+ 0 0 159 -2,-0.2 3,-0.0 -3,-0.1 -1,-0.0 0.417 106.6 3.7-120.2 -2.7 19.7 -5.6 3.3 65 65 A R S S+ 0 0 194 19,-0.0 2,-0.2 2,-0.0 3,-0.1 0.140 114.7 77.3-168.7 27.1 18.7 -2.1 4.4 66 66 A S + 0 0 40 1,-0.2 -3,-0.2 18,-0.1 18,-0.2 -0.715 68.3 40.3-133.6-174.0 17.8 -0.1 1.3 67 67 A D - 0 0 0 -2,-0.2 2,-0.6 1,-0.2 17,-0.3 0.867 61.6-177.1 33.5 89.7 15.0 0.4 -1.2 68 68 A Y E + K 0 83B 52 15,-0.7 15,-1.4 -3,-0.1 2,-0.5 -0.879 5.7 172.8-116.5 102.2 12.0 0.3 1.1 69 69 A I E +IK 59 82B 9 -10,-1.5 -10,-3.6 -2,-0.6 2,-0.3 -0.918 12.8 142.3-112.5 130.8 8.6 0.6 -0.8 70 70 A A E -IK 58 81B 0 11,-0.7 11,-0.6 -2,-0.5 2,-0.3 -0.940 36.5-141.3-153.7 174.6 5.3 0.1 1.0 71 71 A L E +IK 57 80B 10 -14,-3.5 -15,-3.4 -2,-0.3 -14,-2.7 -0.896 28.9 163.9-146.2 110.4 1.7 1.4 1.2 72 72 A A E -IK 55 79B 0 7,-2.1 7,-1.4 -17,-0.3 2,-0.4 -0.875 33.0-118.8-130.0 164.4 -0.2 1.8 4.5 73 73 A I E +IK 54 78B 0 -19,-3.8 -19,-1.9 -2,-0.3 2,-0.4 -0.834 29.7 177.5-102.6 136.3 -3.3 3.6 5.8 74 74 A V E > - K 0 77B 9 3,-4.3 3,-1.2 -2,-0.4 -21,-0.2 -0.984 66.8 -8.1-140.6 131.4 -3.1 6.3 8.6 75 75 A D T 3 S- 0 0 91 -2,-0.4 -22,-0.2 1,-0.3 3,-0.1 0.630 134.1 -49.6 63.8 8.8 -5.9 8.4 10.2 76 76 A G T 3 S+ 0 0 0 -24,-1.6 21,-1.5 1,-0.4 22,-0.6 0.593 123.0 95.5 104.6 13.7 -8.2 7.0 7.5 77 77 A F E < -K 74 0B 71 -3,-1.2 -3,-4.3 -25,-0.5 -1,-0.4 -0.966 67.4-125.9-135.5 152.7 -6.0 7.7 4.5 78 78 A V E -K 73 0B 6 17,-0.4 15,-2.0 -2,-0.3 2,-0.3 -0.490 24.8-173.9 -92.4 166.9 -3.5 5.6 2.5 79 79 A Q E -KL 72 92B 16 -7,-1.4 -7,-2.1 13,-0.3 2,-1.0 -0.855 25.1-136.8-164.1 126.4 0.1 6.6 1.9 80 80 A M E -KL 71 91B 6 11,-1.2 11,-2.0 -2,-0.3 2,-0.6 -0.710 30.4-177.5 -86.5 103.2 3.0 5.2 -0.2 81 81 A M E +KL 70 90B 15 -2,-1.0 -11,-0.7 -11,-0.6 2,-0.4 -0.881 9.7 160.9-104.8 119.4 6.0 5.6 2.1 82 82 A Y E -KL 69 89B 2 7,-0.7 7,-1.5 -2,-0.6 2,-0.4 -0.994 20.2-172.8-141.2 143.7 9.4 4.5 0.7 83 83 A D E +K 68 0B 8 -15,-1.4 -15,-0.7 -2,-0.4 -14,-0.1 -0.904 13.3 164.9-136.3 108.5 13.1 5.1 1.5 84 84 A L S S+ 0 0 5 -2,-0.4 -1,-0.1 3,-0.3 -18,-0.1 -0.025 86.7 14.8-110.4 30.4 15.8 3.9 -0.8 85 85 A G S S- 0 0 55 -19,-0.1 -2,-0.1 -17,-0.1 45,-0.0 0.219 128.9 -56.2-164.2 -50.9 18.6 6.0 0.8 86 86 A S S S+ 0 0 95 1,-0.2 -3,-0.1 -20,-0.0 -20,-0.0 0.295 108.7 75.9 178.2 -18.7 17.6 7.5 4.2 87 87 A K - 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