==== 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 PEPTIDE BINDING PROTEIN 31-JUL-03 1Q3P . COMPND 2 MOLECULE: SHANK1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Y.J.IM,J.H.LEE,S.H.PARK,S.J.PARK,S.-H.RHO,G.B.KANG,E.KIM, . 213 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 70.0 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 . 73 34.3 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 . 4 1.9 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 . 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 . 24 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 2 0 0 0 0 2 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 . 2 2 1 5 1 0 0 0 1 0 0 0 1 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 0 0 0 0 0 0 0 0 1 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 1 584 A D 0 0 133 0, 0.0 2,-0.1 0, 0.0 107,-0.1 0.000 360.0 360.0 360.0 48.8 6.7 13.6 15.9 2 585 A Y - 0 0 72 97,-0.1 104,-3.2 105,-0.0 2,-0.5 -0.467 360.0-163.2 173.1 107.8 10.0 15.5 15.3 3 586 A I E -A 105 0A 60 102,-0.2 95,-2.9 -2,-0.1 96,-0.5 -0.928 5.4-171.9-111.3 122.3 10.3 18.4 12.8 4 587 A I E -AB 104 97A 4 100,-2.6 100,-3.1 -2,-0.5 2,-0.6 -0.949 9.9-153.4-115.9 123.8 13.8 19.5 11.7 5 588 A K E -AB 103 96A 66 91,-3.2 91,-2.3 -2,-0.5 2,-0.3 -0.843 20.1-175.2 -99.4 118.2 14.3 22.6 9.6 6 589 A E E +AB 102 95A 17 96,-2.9 96,-2.0 -2,-0.6 2,-0.3 -0.837 13.4 151.4-119.2 152.7 17.3 22.6 7.3 7 590 A K E - B 0 94A 66 87,-2.0 87,-3.0 -2,-0.3 2,-0.5 -0.956 32.5-132.5-168.6 154.4 19.1 25.0 5.0 8 591 A T E - B 0 93A 72 -2,-0.3 2,-0.3 85,-0.3 85,-0.3 -0.964 31.0-176.6-116.1 127.1 22.6 25.8 3.6 9 592 A V E - B 0 92A 20 83,-3.1 83,-3.0 -2,-0.5 2,-0.4 -0.915 21.9-134.4-129.2 154.4 23.6 29.4 3.7 10 593 A L E - B 0 91A 105 -2,-0.3 2,-0.4 81,-0.2 81,-0.2 -0.885 17.5-165.4-106.4 131.8 26.5 31.5 2.5 11 594 A L E - B 0 90A 2 79,-3.1 79,-2.4 -2,-0.4 2,-0.4 -0.964 6.3-178.0-117.8 135.7 28.0 34.2 4.8 12 595 A Q E + B 0 89A 134 -2,-0.4 77,-0.2 77,-0.2 2,-0.2 -0.961 10.7 176.5-134.5 113.9 30.4 36.8 3.5 13 596 A K - 0 0 35 75,-2.9 2,-0.3 -2,-0.4 6,-0.1 -0.665 30.7-105.1-113.3 170.5 31.9 39.3 6.0 14 597 A K - 0 0 147 -2,-0.2 3,-0.3 4,-0.2 -1,-0.0 -0.696 35.3-109.6 -94.9 148.6 34.3 42.1 5.8 15 598 A D S S+ 0 0 137 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.847 115.5 50.1 -39.8 -51.5 37.9 41.7 7.1 16 599 A S S S+ 0 0 116 2,-0.0 -1,-0.2 -3,-0.0 -3,-0.0 0.921 109.2 53.2 -59.4 -49.1 37.3 44.1 10.0 17 600 A E S S- 0 0 75 -3,-0.3 2,-0.2 1,-0.1 -4,-0.1 -0.051 75.0-125.7 -83.5-177.2 34.1 42.5 11.3 18 601 A G - 0 0 33 -5,-0.0 33,-0.4 1,-0.0 -4,-0.2 -0.667 33.4-100.8-119.3 176.2 33.0 39.0 12.3 19 602 A F - 0 0 6 192,-3.7 33,-3.9 -2,-0.2 34,-0.4 0.759 58.8-120.0 -71.1 -24.7 30.1 36.8 11.1 20 603 A G + 0 0 8 1,-0.3 27,-1.3 31,-0.2 2,-0.3 0.946 67.6 102.0 87.6 54.6 28.2 37.8 14.3 21 604 A F E -C 46 0A 2 25,-0.2 190,-3.0 31,-0.1 2,-0.6 -0.986 60.0-127.1-161.5 155.6 27.4 34.6 16.3 22 605 A V E -CD 45 210A 3 23,-3.3 22,-2.1 -2,-0.3 23,-1.2 -0.951 23.6-153.4-111.3 121.6 28.5 32.7 19.3 23 606 A L E +CD 43 209A 0 186,-3.8 186,-0.7 -2,-0.6 2,-0.4 -0.848 15.1 179.5 -98.9 120.0 29.2 29.0 18.7 24 607 A R E +CD 42 208A 56 18,-2.4 18,-2.6 -2,-0.6 184,-0.2 -0.934 25.6 105.9-118.8 142.9 28.8 26.6 21.6 25 608 A G 0 0 0 182,-1.4 182,-0.2 -2,-0.4 16,-0.2 -0.400 360.0 360.0-165.9-115.0 29.4 22.9 21.5 26 609 A A 0 0 61 48,-0.2 51,-0.3 180,-0.2 49,-0.2 0.152 360.0 360.0-168.8 360.0 32.0 20.3 22.7 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 615 A I 0 0 163 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-149.9 32.4 13.6 26.1 29 616 A E + 0 0 184 1,-0.2 2,-1.0 46,-0.0 -3,-0.0 0.191 360.0 61.9-153.3 -72.1 33.8 11.8 23.0 30 617 A E - 0 0 123 2,-0.0 2,-0.4 1,-0.0 -1,-0.2 -0.623 66.3-170.3 -76.7 99.9 31.4 9.4 21.3 31 618 A F - 0 0 12 -2,-1.0 9,-0.1 42,-0.2 42,-0.0 -0.771 10.8-165.8 -95.3 135.4 28.5 11.5 20.0 32 619 A T - 0 0 93 -2,-0.4 5,-0.1 7,-0.1 7,-0.1 -0.915 25.7-127.1-121.3 101.2 25.4 9.8 18.6 33 620 A P - 0 0 37 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.080 28.7-175.0 -47.7 141.2 23.2 12.3 16.8 34 621 A T - 0 0 58 3,-1.9 5,-0.0 1,-0.1 0, 0.0 -0.931 38.1-110.3-135.1 156.2 19.5 12.4 17.8 35 622 A P S S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 64,-0.1 0.940 122.6 40.5 -54.8 -47.1 16.7 14.4 16.3 36 623 A A S S+ 0 0 47 1,-0.3 61,-0.1 2,-0.1 -34,-0.0 0.778 129.2 33.2 -71.4 -26.0 16.5 16.7 19.3 37 624 A F S S+ 0 0 85 1,-0.1 -3,-1.9 -5,-0.1 -1,-0.3 -0.607 73.6 160.4-130.0 69.8 20.3 16.8 19.5 38 625 A P + 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.800 60.7 7.4 -64.2 -34.8 21.5 16.6 15.9 39 626 A A - 0 0 0 1,-0.1 34,-0.2 -6,-0.1 33,-0.1 -0.903 64.8-115.7-144.4 174.1 25.1 17.9 16.2 40 627 A L S S+ 0 0 11 32,-1.5 2,-0.4 31,-0.4 -1,-0.1 0.920 95.8 53.2 -77.2 -47.6 27.8 19.0 18.7 41 628 A Q + 0 0 0 30,-0.4 22,-2.6 22,-0.3 2,-0.3 -0.742 64.8 162.2 -95.3 138.7 28.1 22.7 17.8 42 629 A Y E -CE 24 62A 55 -18,-2.6 -18,-2.4 -2,-0.4 2,-0.9 -0.925 45.5 -90.2-145.4 168.4 25.1 25.0 17.7 43 630 A L E +C 23 0A 2 18,-2.5 17,-3.3 -2,-0.3 18,-0.3 -0.755 33.2 178.4 -90.4 108.5 24.4 28.7 17.7 44 631 A E E S+ 0 0 65 -22,-2.1 2,-0.3 -2,-0.9 -1,-0.2 0.853 73.9 2.7 -72.6 -36.8 24.0 29.9 21.3 45 632 A S E -C 22 0A 31 -23,-1.2 -23,-3.3 -3,-0.1 2,-0.4 -0.992 56.8-162.6-155.7 145.6 23.6 33.5 20.1 46 633 A V E -C 21 0A 18 -2,-0.3 2,-0.3 -25,-0.3 -25,-0.2 -0.986 28.8-123.3-132.1 118.2 23.3 35.5 16.8 47 634 A D > - 0 0 64 -27,-1.3 3,-2.1 -2,-0.4 6,-0.5 -0.445 36.3-114.9 -61.9 119.6 23.8 39.3 16.8 48 635 A E T 3 S+ 0 0 172 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.289 98.0 11.9 -58.4 136.9 20.6 40.8 15.2 49 636 A G T 3 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.503 101.3 129.2 73.8 1.7 21.3 42.5 11.9 50 637 A G S <> S- 0 0 17 -3,-2.1 4,-3.6 -30,-0.2 5,-0.3 -0.170 79.0 -92.2 -79.2 179.7 24.8 41.0 11.8 51 638 A V H > S+ 0 0 8 -33,-0.4 4,-2.1 2,-0.2 -31,-0.2 0.971 129.5 42.4 -55.6 -55.6 26.3 39.1 8.8 52 639 A A H >>S+ 0 0 0 -33,-3.9 5,-2.3 1,-0.2 4,-0.7 0.924 116.0 50.2 -57.6 -45.7 25.1 35.8 10.2 53 640 A W H >45S+ 0 0 88 -6,-0.5 3,-1.3 -34,-0.4 -2,-0.2 0.932 109.8 48.4 -61.4 -48.0 21.7 37.2 11.2 54 641 A R H 3<5S+ 0 0 154 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.852 106.4 58.4 -62.5 -32.6 21.1 38.8 7.8 55 642 A A H 3<5S- 0 0 35 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.661 126.8 -98.6 -71.1 -15.4 22.0 35.5 6.0 56 643 A G T <<5S+ 0 0 22 -3,-1.3 2,-0.2 -4,-0.7 -3,-0.2 0.535 73.0 144.3 111.5 9.2 19.2 33.8 8.0 57 644 A L < - 0 0 3 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.3 -0.595 23.6-179.0 -83.6 143.9 21.0 32.2 10.9 58 645 A R > - 0 0 93 -2,-0.2 3,-1.8 -13,-0.0 -15,-0.3 -0.944 35.3 -74.8-141.5 161.2 19.3 32.0 14.3 59 646 A M T 3 S+ 0 0 133 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.177 115.4 31.4 -50.5 142.2 19.8 30.9 17.9 60 647 A G T 3 S+ 0 0 27 -17,-3.3 37,-0.4 1,-0.3 2,-0.3 0.340 80.8 144.7 88.7 -8.3 19.5 27.1 18.3 61 648 A D < - 0 0 1 -3,-1.8 -18,-2.5 -18,-0.3 2,-0.4 -0.514 39.7-147.7 -68.3 124.5 20.9 26.4 14.8 62 649 A F E -EF 42 95A 30 33,-3.2 33,-1.8 -2,-0.3 2,-0.6 -0.758 15.6-123.5 -93.1 139.8 22.9 23.2 14.8 63 650 A L E + F 0 94A 3 -22,-2.6 -22,-0.3 -2,-0.4 31,-0.2 -0.757 35.9 166.3 -88.6 121.8 25.9 23.1 12.5 64 651 A I E + 0 0 1 29,-2.9 7,-2.7 -2,-0.6 8,-0.9 0.825 69.6 10.3 -98.6 -44.8 25.7 20.1 10.1 65 652 A E E -GF 70 93A 47 28,-1.5 28,-2.6 5,-0.3 2,-0.5 -1.000 58.5-160.0-141.9 138.3 28.4 21.1 7.5 66 653 A V E > S-GF 69 92A 0 3,-2.8 3,-2.5 -2,-0.4 26,-0.2 -0.979 83.6 -20.1-118.7 118.4 31.0 23.9 7.5 67 654 A N T 3 S- 0 0 49 24,-4.0 -1,-0.2 -2,-0.5 25,-0.1 0.863 131.2 -49.5 51.2 37.8 32.3 24.8 4.1 68 655 A G T 3 S+ 0 0 37 23,-0.4 2,-0.5 1,-0.3 -1,-0.3 0.337 114.3 116.4 87.4 -8.4 31.2 21.5 2.8 69 656 A Q E < -G 66 0A 108 -3,-2.5 -3,-2.8 2,-0.0 -1,-0.3 -0.818 68.7-121.3 -97.4 133.5 32.7 19.4 5.6 70 657 A N E +G 65 0A 42 -2,-0.5 -5,-0.3 -5,-0.3 -6,-0.1 -0.514 33.8 171.8 -71.2 133.2 30.4 17.5 7.9 71 658 A V > + 0 0 0 -7,-2.7 3,-2.2 -2,-0.2 -31,-0.4 0.217 37.6 119.7-127.2 11.3 30.9 18.6 11.5 72 659 A V T 3 S+ 0 0 0 -8,-0.9 -32,-1.5 1,-0.3 -31,-0.1 0.860 93.0 25.5 -43.9 -43.8 28.0 16.7 13.1 73 660 A K T 3 S+ 0 0 92 -34,-0.2 -1,-0.3 -9,-0.1 2,-0.2 0.062 98.0 121.1-112.9 23.9 30.5 14.9 15.3 74 661 A V < - 0 0 32 -3,-2.2 -48,-0.2 1,-0.1 2,-0.1 -0.610 63.8-109.6 -92.1 149.9 33.3 17.4 15.3 75 662 A G > - 0 0 33 -2,-0.2 4,-2.4 -49,-0.2 3,-0.3 -0.459 27.8-112.5 -76.5 148.1 34.8 19.0 18.4 76 663 A H H > S+ 0 0 12 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.864 115.2 48.8 -43.0 -54.5 34.3 22.7 19.2 77 664 A R H > S+ 0 0 202 -51,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.908 112.2 48.4 -56.9 -46.6 38.0 23.6 18.6 78 665 A Q H > S+ 0 0 95 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.892 113.7 46.5 -63.4 -40.2 38.2 21.8 15.3 79 666 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.926 110.9 51.9 -67.8 -45.8 35.0 23.4 14.0 80 667 A V H X S+ 0 0 11 -4,-2.9 4,-2.6 -5,-0.3 -2,-0.2 0.930 110.0 50.8 -55.0 -46.1 36.0 26.8 15.2 81 668 A N H X S+ 0 0 64 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.894 107.4 52.2 -59.2 -43.4 39.3 26.3 13.3 82 669 A M H X S+ 0 0 22 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.893 110.1 48.8 -62.1 -39.4 37.5 25.3 10.1 83 670 A I H < S+ 0 0 2 -4,-2.3 3,-0.4 2,-0.2 4,-0.3 0.917 110.4 51.1 -66.4 -42.1 35.4 28.4 10.3 84 671 A R H >< S+ 0 0 147 -4,-2.6 3,-2.6 1,-0.2 -2,-0.2 0.967 103.4 61.7 -56.8 -51.0 38.5 30.5 10.8 85 672 A Q H 3< S+ 0 0 128 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 92.7 62.5 -44.2 -43.9 40.0 28.7 7.8 86 673 A G T >< S- 0 0 26 -4,-1.3 3,-1.1 -3,-0.4 2,-0.6 0.577 89.7-157.1 -64.6 -8.8 37.4 30.1 5.3 87 674 A G T < - 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