==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 13-JUL-06 2HNU . COMPND 2 MOLECULE: OXYTOCIN-NEUROPHYSIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR X.LI,H.LEE,J.WU,E.BRESLOW . 415 10 35 35 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 35.2 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 . 20 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 3.6 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 . 15 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 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 . 3 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 . 0 10 14 10 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 4 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 7 A V 0 0 82 0, 0.0 47,-0.1 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 173.7 54.6 15.2 74.5 2 8 A R B -a 48 0A 14 45,-0.6 47,-2.2 368,-0.3 2,-0.1 -0.179 360.0-106.8 -63.2 155.1 54.1 11.9 76.3 3 9 A T - 0 0 78 45,-0.2 47,-0.2 1,-0.1 -1,-0.1 -0.500 47.3-101.0 -74.8 153.5 56.9 10.5 78.5 4 10 A a - 0 0 5 11,-0.4 -1,-0.1 1,-0.2 34,-0.1 -0.180 56.4 -59.5 -72.6 171.7 58.6 7.5 76.8 5 11 A L - 0 0 39 9,-0.1 10,-2.2 33,-0.1 -1,-0.2 -0.102 57.2-111.4 -52.0 144.1 57.9 3.9 77.7 6 12 A P E +B 14 0B 55 0, 0.0 8,-0.3 0, 0.0 2,-0.3 -0.330 47.2 164.2 -71.8 163.6 58.4 2.7 81.3 7 13 A b E +B 13 0B 0 6,-2.2 6,-2.5 4,-0.2 28,-0.1 -0.978 20.9 43.9-168.9 171.9 61.3 0.3 81.8 8 14 A G S > S- 0 0 21 26,-1.0 3,-2.6 -2,-0.3 5,-0.1 -0.088 93.7 -1.6 78.0-176.5 63.6 -1.3 84.4 9 15 A P G > S- 0 0 56 0, 0.0 3,-1.8 0, 0.0 -2,-0.1 -0.253 138.3 -8.5 -51.5 119.1 63.1 -2.9 87.9 10 16 A G G 3 S- 0 0 72 1,-0.3 -2,-0.1 2,-0.1 -3,-0.0 0.623 115.3 -81.5 65.2 13.6 59.4 -2.6 88.8 11 17 A G G < S+ 0 0 24 -3,-2.6 -1,-0.3 1,-0.1 -4,-0.2 0.687 95.9 136.0 65.5 17.5 58.9 -0.4 85.8 12 18 A K < + 0 0 127 -3,-1.8 13,-0.3 -6,-0.1 12,-0.2 0.452 52.3 73.5 -76.3 -1.1 60.2 2.5 87.9 13 19 A G E -B 7 0B 0 -6,-2.5 -6,-2.2 10,-0.1 2,-0.3 -0.641 66.7-147.3-109.6 169.5 62.4 3.7 85.0 14 20 A R E -BC 6 22B 98 8,-2.7 8,-2.6 -8,-0.3 2,-0.3 -0.975 26.4-106.2-133.9 149.1 61.6 5.5 81.8 15 21 A c E + C 0 21B 0 -10,-2.2 -11,-0.4 -2,-0.3 6,-0.2 -0.549 29.9 175.2 -78.0 137.0 63.4 5.3 78.5 16 22 A F E S- 0 0 18 4,-2.8 5,-0.2 1,-0.4 -1,-0.1 0.391 73.4 -6.9-116.1 -5.4 65.6 8.2 77.4 17 23 A G E > S- C 0 20B 0 3,-1.1 3,-1.9 54,-0.1 -1,-0.4 -0.954 91.7 -72.5-175.4 169.9 66.8 6.5 74.2 18 24 A P T 3 S+ 0 0 30 0, 0.0 22,-0.1 0, 0.0 23,-0.1 0.799 132.7 17.6 -46.6 -36.4 66.7 3.2 72.3 19 25 A S T 3 S+ 0 0 22 51,-0.5 12,-2.7 19,-0.2 2,-0.4 -0.053 106.6 96.3-131.1 36.8 69.0 1.5 74.8 20 26 A I E < +CD 17 30B 0 -3,-1.9 -4,-2.8 10,-0.2 -3,-1.1 -0.958 40.7 175.4-133.3 117.6 68.8 3.9 77.8 21 27 A b E +CD 15 29B 0 8,-2.8 8,-3.5 -2,-0.4 2,-0.3 -0.977 12.5 169.8-122.2 122.5 66.6 3.3 80.8 22 28 A d E +CD 14 28B 2 -8,-2.6 -8,-2.7 -2,-0.5 2,-0.3 -0.953 14.3 175.9-136.1 156.9 66.8 5.6 83.9 23 29 A G E >> - D 0 27B 7 4,-1.9 4,-2.8 -2,-0.3 3,-1.8 -0.988 39.5-118.8-153.1 147.6 65.0 6.5 87.1 24 30 A D T 34 S+ 0 0 130 -2,-0.3 40,-0.5 1,-0.3 -1,-0.1 0.874 119.2 38.9 -56.2 -38.0 65.7 8.8 90.0 25 31 A E T 34 S+ 0 0 167 -13,-0.3 -1,-0.3 1,-0.1 -12,-0.1 0.222 123.4 42.0 -97.0 14.3 65.8 5.9 92.4 26 32 A L T <4 S- 0 0 32 -3,-1.8 89,-0.4 1,-0.2 2,-0.2 0.645 89.1-139.4-127.8 -32.3 67.6 3.6 89.9 27 33 A G E < -D 23 0B 5 -4,-2.8 -4,-1.9 35,-0.2 2,-0.4 -0.651 48.5 -46.9 94.9-158.3 70.3 5.4 88.1 28 34 A d E -DE 22 112B 0 84,-3.4 84,-3.3 -2,-0.2 2,-0.6 -0.940 37.6-157.4-122.9 135.9 70.8 4.7 84.4 29 35 A F E -DE 21 111B 4 -8,-3.5 -8,-2.8 -2,-0.4 2,-0.6 -0.935 14.7-172.6-106.6 118.7 71.0 1.4 82.4 30 36 A V E S-DE 20 110B 2 80,-3.0 80,-3.0 -2,-0.6 -10,-0.2 -0.925 72.8 -15.8-117.6 106.0 72.7 1.8 79.1 31 37 A G S S+ 0 0 33 -12,-2.7 2,-0.1 -2,-0.6 -1,-0.1 0.565 103.8 129.1 80.8 7.7 72.7 -1.2 76.8 32 38 A T S > S- 0 0 3 78,-0.3 3,-2.0 -13,-0.3 4,-0.3 -0.443 78.2-100.3 -91.4 168.9 71.6 -3.5 79.6 33 39 A A G > S+ 0 0 73 75,-0.4 3,-1.8 1,-0.3 4,-0.4 0.860 120.8 66.4 -54.1 -38.0 68.7 -6.0 79.6 34 40 A E G 3 S+ 0 0 54 1,-0.3 -26,-1.0 2,-0.1 -1,-0.3 0.749 102.9 46.6 -56.0 -25.7 66.7 -3.4 81.6 35 41 A A G X S+ 0 0 2 -3,-2.0 3,-1.0 1,-0.2 4,-0.3 0.352 80.0 99.3-102.1 6.1 66.7 -1.1 78.6 36 42 A L G X S+ 0 0 101 -3,-1.8 3,-1.7 -4,-0.3 4,-0.4 0.869 78.5 57.5 -60.8 -38.6 65.7 -3.6 75.9 37 43 A R G > S+ 0 0 134 -4,-0.4 3,-1.4 1,-0.3 4,-0.4 0.755 91.2 74.6 -65.0 -20.6 62.1 -2.4 75.9 38 44 A c G X S+ 0 0 0 -3,-1.0 3,-0.6 1,-0.3 -1,-0.3 0.685 84.3 64.2 -65.2 -19.0 63.3 1.1 75.1 39 45 A Q G X S+ 0 0 93 -3,-1.7 3,-1.5 -4,-0.3 -1,-0.3 0.752 88.3 70.5 -75.1 -22.9 64.0 -0.0 71.5 40 46 A E G X S+ 0 0 88 -3,-1.4 3,-2.0 -4,-0.4 4,-0.5 0.762 80.4 73.6 -65.1 -24.7 60.3 -0.6 71.0 41 47 A E G X S+ 0 0 0 -3,-0.6 3,-1.2 -4,-0.4 -1,-0.3 0.792 82.6 71.0 -58.8 -27.8 59.7 3.2 71.1 42 48 A N G < S+ 0 0 91 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.767 96.3 51.8 -60.9 -25.5 61.3 3.2 67.6 43 49 A Y G < S+ 0 0 179 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.610 88.8 93.3 -85.8 -15.9 58.1 1.5 66.4 44 50 A L < - 0 0 53 -3,-1.2 -3,-0.0 -4,-0.5 327,-0.0 -0.718 65.3-152.6 -85.0 121.2 55.7 4.1 68.0 45 51 A P S S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 327,-0.1 0.493 71.1 84.4 -70.1 -5.7 54.8 6.9 65.5 46 52 A S S S- 0 0 1 325,-0.1 -2,-0.1 -5,-0.1 325,-0.1 -0.779 84.3-112.0-101.0 144.6 54.2 9.5 68.2 47 53 A P - 0 0 18 0, 0.0 -45,-0.6 0, 0.0 2,-0.3 -0.369 34.5-172.4 -71.6 152.2 57.1 11.5 69.8 48 54 A a B -a 2 0A 5 363,-1.4 2,-0.3 364,-0.5 -45,-0.2 -0.949 9.6-173.7-140.2 159.7 58.1 10.9 73.4 49 55 A Q - 0 0 98 -47,-2.2 2,-0.2 -2,-0.3 -33,-0.1 -0.933 7.2-158.3-157.5 132.4 60.4 12.6 75.8 50 56 A S + 0 0 3 -2,-0.3 2,-0.0 -47,-0.2 -45,-0.0 -0.700 52.4 36.0-109.4 163.5 61.5 11.7 79.4 51 57 A G - 0 0 32 -2,-0.2 11,-0.1 11,-0.1 -2,-0.0 -0.182 64.5-122.6 87.5 176.0 62.9 13.8 82.2 52 58 A Q S S+ 0 0 180 9,-0.6 -1,-0.1 1,-0.2 10,-0.1 0.616 82.1 63.0-130.4 -33.0 62.1 17.4 83.2 53 59 A K S S- 0 0 113 8,-0.3 8,-2.8 26,-0.0 -1,-0.2 -0.880 73.8-131.1-108.4 124.5 65.3 19.5 83.1 54 60 A P E +I 60 0C 94 0, 0.0 2,-0.3 0, 0.0 6,-0.3 -0.323 37.2 162.7 -65.1 150.5 67.3 20.2 79.9 55 61 A e E > -I 59 0C 14 4,-1.7 4,-1.5 13,-0.1 21,-0.0 -0.972 42.2 -2.3-162.4 162.9 71.0 19.6 80.2 56 62 A G T 4 S- 0 0 54 -2,-0.3 2,-0.8 2,-0.1 12,-0.1 -0.035 114.3 -28.9 46.5-149.5 74.0 19.0 78.0 57 63 A S T 4 S- 0 0 120 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.851 128.9 -25.1-103.8 103.0 73.3 18.9 74.3 58 64 A G T 4 S+ 0 0 69 -2,-0.8 -1,-0.2 1,-0.2 2,-0.2 0.693 112.8 122.2 70.9 17.9 69.9 17.6 73.6 59 65 A G E < -I 55 0C 5 -4,-1.5 -4,-1.7 10,-0.2 2,-0.3 -0.501 47.5-153.3-106.1 176.9 69.9 15.8 76.9 60 66 A R E -IJ 54 68C 46 8,-2.3 8,-2.8 -6,-0.3 2,-0.4 -0.985 37.2 -89.2-147.8 149.6 67.7 15.8 80.0 61 67 A f E + J 0 67C 21 -8,-2.8 -9,-0.6 -2,-0.3 -8,-0.3 -0.498 46.9 171.6 -64.6 117.3 68.4 15.1 83.6 62 68 A A E - 0 0 5 4,-2.3 2,-0.3 -2,-0.4 -35,-0.2 0.685 59.3 -5.4-101.6 -26.3 67.6 11.3 83.9 63 69 A A E > S- J 0 66C 3 3,-1.5 3,-3.3 -41,-0.1 -1,-0.3 -0.965 102.6 -45.8-160.2 169.1 68.8 10.5 87.4 64 70 A A T 3 S- 0 0 55 -40,-0.5 16,-0.3 1,-0.3 3,-0.1 -0.189 127.9 -12.0 -45.9 110.8 70.6 12.1 90.4 65 71 A G T 3 S+ 0 0 8 14,-2.2 11,-2.3 1,-0.2 2,-0.4 0.676 112.7 115.5 68.8 19.3 73.5 13.9 88.9 66 72 A I E < -JK 63 75C 8 -3,-3.3 -4,-2.3 13,-0.5 -3,-1.5 -0.978 45.4-164.8-129.0 127.6 73.1 12.2 85.5 67 73 A e E -JK 61 74C 3 7,-2.6 7,-2.2 -2,-0.4 2,-0.4 -0.918 14.3-173.7-108.7 126.7 72.3 13.9 82.1 68 74 A g E -JK 60 73C 2 -8,-2.8 -8,-2.3 -2,-0.5 5,-0.2 -0.962 16.0-176.8-128.6 144.2 71.1 11.7 79.2 69 75 A S E > - K 0 72C 20 3,-2.8 3,-1.3 -2,-0.4 -10,-0.2 -0.612 56.8 -83.4-115.6 176.4 70.3 12.2 75.5 70 76 A P T 3 S+ 0 0 56 0, 0.0 -51,-0.5 0, 0.0 3,-0.1 0.664 128.3 36.5 -60.5 -15.4 69.1 9.4 73.3 71 77 A D T 3 S- 0 0 74 1,-0.2 86,-3.1 -54,-0.1 2,-0.3 0.282 122.7 -0.7-122.4 12.4 72.6 8.1 72.7 72 78 A G E < -KL 69 156C 8 -3,-1.3 -3,-2.8 84,-0.3 2,-0.3 -0.935 49.1-136.4 173.7 162.7 74.4 8.6 75.9 73 79 A g E +KL 68 155C 3 82,-2.5 82,-2.2 -2,-0.3 2,-0.3 -0.971 18.1 179.8-134.5 149.1 74.6 9.8 79.5 74 80 A H E -KL 67 154C 80 -7,-2.2 -7,-2.6 -2,-0.3 80,-0.2 -0.991 39.5 -92.6-148.7 148.2 77.3 11.7 81.4 75 81 A E E +K 66 0C 78 78,-2.9 -9,-0.3 -2,-0.3 -10,-0.1 -0.388 46.9 179.4 -62.6 136.7 77.6 12.9 85.0 76 82 A D > - 0 0 26 -11,-2.3 3,-1.6 1,-0.1 -11,-0.1 -0.940 29.1-154.9-146.2 119.6 76.3 16.5 85.3 77 83 A P G > S+ 0 0 101 0, 0.0 3,-2.7 0, 0.0 -12,-0.1 0.855 96.5 66.9 -60.6 -35.5 76.1 18.6 88.5 78 84 A A G 3 S+ 0 0 54 1,-0.3 -17,-0.1 -13,-0.1 -12,-0.1 0.723 99.4 54.8 -57.9 -19.7 73.2 20.6 87.0 79 85 A f G < S+ 0 0 10 -3,-1.6 -14,-2.2 -14,-0.1 -13,-0.5 0.341 81.2 115.8 -97.1 5.0 71.3 17.3 87.4 80 86 A D < 0 0 87 -3,-2.7 -16,-0.1 -16,-0.3 -19,-0.0 -0.484 360.0 360.0 -75.1 147.0 72.0 16.8 91.1 81 87 A P 0 0 170 0, 0.0 -1,-0.1 0, 0.0 -17,-0.0 0.912 360.0 360.0 -51.9 360.0 68.9 16.9 93.4 82 !* 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 83 7 B V 0 0 139 0, 0.0 48,-0.1 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 121.9 98.1 -1.1 83.6 84 8 B R B -p 130 0D 83 45,-0.6 47,-2.6 1,-0.1 2,-0.3 -0.151 360.0-111.5 -55.3 149.8 96.0 -3.1 86.1 85 9 B T - 0 0 80 45,-0.2 47,-0.2 1,-0.1 -1,-0.1 -0.660 38.6-106.9 -84.5 143.4 92.4 -3.7 85.1 86 10 B h - 0 0 6 45,-0.4 -1,-0.1 -2,-0.3 12,-0.1 -0.094 52.0 -65.2 -65.0 169.0 89.8 -1.9 87.3 87 11 B L - 0 0 27 9,-0.1 10,-2.7 33,-0.1 -1,-0.1 -0.098 52.1-109.8 -56.8 149.6 87.7 -3.7 89.9 88 12 B P E +F 96 0B 51 0, 0.0 2,-0.3 0, 0.0 8,-0.3 -0.432 47.0 159.4 -77.9 157.0 85.0 -6.3 88.9 89 13 B i E +F 95 0B 7 6,-2.1 6,-2.2 4,-0.1 28,-0.1 -0.980 22.6 41.4-166.2 171.2 81.4 -5.4 89.4 90 14 B G S > S+ 0 0 22 26,-0.9 3,-2.7 -2,-0.3 5,-0.1 -0.035 92.7 1.6 76.6-179.1 77.8 -6.2 88.4 91 15 B P G > S- 0 0 57 0, 0.0 3,-2.7 0, 0.0 4,-0.1 -0.083 136.6 -8.8 -44.0 127.1 75.9 -9.4 87.8 92 16 B G G 3 S- 0 0 71 1,-0.3 -2,-0.1 2,-0.1 -3,-0.0 0.605 115.2 -81.7 56.1 12.3 78.0 -12.5 88.4 93 17 B G G < S+ 0 0 35 -3,-2.7 -1,-0.3 1,-0.1 -3,-0.2 0.764 97.5 135.3 64.7 24.4 81.0 -10.2 88.7 94 18 B K < + 0 0 127 -3,-2.7 12,-0.3 -6,-0.1 13,-0.3 0.459 49.2 75.4 -83.8 -2.8 81.0 -10.2 84.9 95 19 B G E -F 89 0B 0 -6,-2.2 -6,-2.1 -4,-0.1 2,-0.3 -0.610 66.4-143.9-106.9 170.1 81.5 -6.5 84.6 96 20 B R E -FG 88 104B 102 8,-3.1 8,-2.4 -8,-0.3 2,-0.3 -0.975 26.3-105.4-131.7 146.3 84.5 -4.2 85.1 97 21 B j E + G 0 103B 0 -10,-2.7 -11,-0.3 -2,-0.3 6,-0.2 -0.535 32.1 172.2 -75.1 131.9 84.6 -0.6 86.6 98 22 B F E S- 0 0 19 4,-2.7 5,-0.2 1,-0.3 -1,-0.1 0.453 73.2 -4.0-111.4 -9.7 85.1 2.2 84.1 99 23 B G E > S- G 0 102B 0 3,-1.3 3,-1.6 54,-0.1 -1,-0.3 -0.965 89.3 -78.2-169.7 170.4 84.5 4.9 86.7 100 24 B P T 3 S+ 0 0 33 0, 0.0 22,-0.1 0, 0.0 20,-0.1 0.806 132.9 17.8 -50.8 -32.0 83.4 5.5 90.3 101 25 B S T 3 S+ 0 0 24 51,-0.4 12,-2.9 19,-0.1 2,-0.4 -0.037 107.6 93.0-132.7 33.6 79.8 4.9 89.3 102 26 B I E < +GH 99 112B 0 -3,-1.6 -4,-2.7 10,-0.2 -3,-1.3 -0.973 42.9 177.0-133.0 120.4 80.1 3.1 85.9 103 27 B i E +GH 97 111B 0 8,-2.5 8,-3.6 -2,-0.4 2,-0.3 -0.985 10.2 173.2-123.6 122.2 80.1 -0.7 85.6 104 28 B k E +GH 96 110B 2 -8,-2.4 -8,-3.1 -2,-0.4 2,-0.3 -0.947 10.9 176.4-132.9 155.2 80.2 -2.4 82.2 105 29 B G E >> - 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