==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-OCT-05 2BD8 . COMPND 2 MOLECULE: BETA-CASOMORPHIN-7; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.LIU,C.J.SCHOFIELD,R.C.WILMOUTH . 242 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 64.5 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 . 83 34.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 . 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 . 18 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 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 . 6 2 2 6 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 P I 0 0 14 0, 0.0 189,-4.0 0, 0.0 188,-1.3 0.000 360.0 360.0 360.0 360.0 -9.8 23.5 36.8 2 !* 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 3 16 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.4 -11.2 33.5 35.8 4 17 A V B 3 +A 184 0A 11 180,-2.6 180,-1.9 1,-0.2 134,-0.1 -0.778 360.0 10.0 -94.7 139.4 -14.7 34.3 34.5 5 18 A G T 3 S+ 0 0 40 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.815 97.0 143.1 61.1 34.1 -15.9 37.9 35.2 6 19 A G < - 0 0 22 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.311 45.7-133.5 -89.0 177.0 -12.5 39.1 36.3 7 20 A T E -B 149 0B 88 142,-2.4 142,-2.6 -2,-0.1 2,-0.3 -0.903 40.7 -87.3-123.7 154.3 -10.7 42.4 35.8 8 21 A E E -B 148 0B 114 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.524 46.5-126.2 -65.7 132.3 -7.1 42.6 34.7 9 22 A A - 0 0 2 138,-2.6 2,-0.2 -2,-0.3 138,-0.1 -0.407 23.6-108.6 -72.8 146.8 -4.7 42.5 37.7 10 23 A Q > - 0 0 71 1,-0.1 3,-1.9 -2,-0.1 4,-0.4 -0.563 35.6-111.0 -68.6 149.8 -2.2 45.3 38.2 11 24 A R T 3 S+ 0 0 103 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.711 113.8 37.8 -57.4 -31.7 1.3 43.9 37.5 12 25 A N T 3 S+ 0 0 94 1,-0.1 -1,-0.3 99,-0.0 99,-0.0 0.206 90.7 95.0-106.5 15.9 2.5 44.2 41.1 13 26 A S S < S+ 0 0 53 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.895 94.1 22.9 -72.1 -43.2 -0.7 43.2 42.8 14 27 A W > + 0 0 27 -4,-0.4 3,-2.1 -3,-0.1 -1,-0.2 -0.628 65.2 167.0-131.1 65.8 -0.1 39.4 43.4 15 28 A P T 3 S+ 0 0 32 0, 0.0 97,-1.8 0, 0.0 45,-0.3 0.544 72.6 61.7 -70.7 -3.2 3.6 38.7 43.3 16 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.4 97,-0.1 2,-0.2 0.517 79.5 109.5 -95.0 -6.5 3.3 35.2 44.7 17 30 A Q E < -I 35 0C 6 -3,-2.1 43,-0.5 18,-0.2 44,-0.4 -0.495 49.1-174.7 -68.2 132.2 1.3 34.1 41.7 18 31 A I E -I 34 0C 0 16,-2.3 16,-0.8 -2,-0.2 2,-0.5 -0.889 24.4-129.3-122.9 161.0 3.1 31.7 39.4 19 32 A S E -IJ 33 58C 0 39,-2.2 39,-2.5 -2,-0.3 2,-0.5 -0.952 18.0-154.0-103.7 122.4 2.3 30.1 36.0 20 33 A L E -IJ 32 57C 0 12,-2.9 11,-2.8 -2,-0.5 12,-1.7 -0.882 23.4-178.8 -96.8 124.7 2.9 26.3 36.0 21 34 A Q E -IJ 30 56C 10 35,-2.7 35,-2.3 -2,-0.5 2,-0.3 -0.868 18.4-148.5-128.0 153.3 3.6 25.3 32.4 22 35 A Y E -IJ 29 55C 67 7,-2.2 7,-2.6 -2,-0.3 2,-0.3 -0.926 31.7-100.8-124.5 150.4 4.3 22.0 30.6 23 36 A R E -I 28 0C 51 31,-1.9 2,-0.4 -2,-0.3 31,-0.3 -0.547 37.7-179.0 -74.4 133.6 6.5 21.4 27.6 24 36AA S E > -I 27 0C 49 3,-3.3 3,-2.2 -2,-0.3 2,-0.4 -0.943 59.8 -56.2-140.2 100.1 4.4 21.1 24.4 25 36BA G T 3 S- 0 0 79 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.457 120.4 -19.5 63.0-118.3 6.5 20.4 21.3 26 36CA S T 3 S+ 0 0 137 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.228 133.7 63.4 -98.9 10.0 9.0 23.2 21.0 27 37 A S E < S-I 24 0C 63 -3,-2.2 -3,-3.3 -5,-0.0 2,-0.4 -0.636 77.0-118.0-130.1-179.4 6.9 25.4 23.2 28 38 A W E -I 23 0C 96 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.979 23.0-158.1-125.9 136.7 5.5 25.7 26.8 29 39 A A E -I 22 0C 28 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.3 -0.967 20.5-120.7-120.8 130.5 1.8 25.8 27.6 30 40 A H E +I 21 0C 21 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.514 39.4 161.1 -63.8 132.1 0.3 27.3 30.7 31 41 A T E - 0 0 30 -11,-2.8 2,-0.3 1,-0.4 159,-0.2 0.689 56.3 -3.5-121.0 -30.5 -1.7 24.6 32.6 32 42 A a E -I 20 0C 0 -12,-1.7 -12,-2.9 212,-0.2 -1,-0.4 -0.954 60.4-115.1-155.0 165.5 -2.3 25.8 36.2 33 43 A G E +I 19 0C 0 157,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.378 29.8 178.6 -94.1-175.4 -1.5 28.5 38.7 34 44 A G E -I 18 0C 0 -16,-0.8 -16,-2.3 -2,-0.1 2,-0.4 -0.940 26.0-117.4-170.9 172.8 0.6 28.1 41.9 35 45 A T E -IK 17 43C 0 8,-2.4 8,-3.1 -2,-0.3 2,-0.5 -0.998 23.0-128.2-127.5 128.4 1.8 30.2 44.8 36 46 A L E + K 0 42C 0 -20,-2.4 78,-3.1 -2,-0.4 6,-0.3 -0.642 34.6 168.2 -72.8 118.9 5.5 30.8 45.5 37 47 A I E + 0 0 3 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.665 66.1 12.7-110.7 -23.1 5.9 29.8 49.2 38 48 A R E > S- K 0 41C 91 3,-1.8 3,-1.4 74,-0.1 -1,-0.4 -0.895 89.6 -98.3-135.6 172.4 9.7 29.7 49.5 39 49 A Q T 3 S+ 0 0 88 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.796 128.2 27.9 -64.4 -21.7 12.4 30.9 47.0 40 50 A N T 3 S+ 0 0 51 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.142 112.7 74.5-124.5 21.0 12.6 27.3 45.9 41 51 A W E < -KL 38 100C 4 -3,-1.4 -4,-2.6 59,-0.2 -3,-1.8 -0.994 51.1-169.5-136.5 140.7 9.1 25.9 46.6 42 52 A V E -KL 36 99C 0 57,-2.3 57,-3.1 -2,-0.4 2,-0.5 -0.958 14.2-145.0-124.6 136.8 5.7 26.4 44.9 43 53 A M E +KL 35 98C 0 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.2 -0.897 36.3 147.4-101.3 131.0 2.4 25.2 46.3 44 54 A T E - L 0 97C 0 53,-2.7 53,-2.4 -2,-0.5 2,-0.3 -0.749 50.3 -70.4-145.0-172.6 -0.1 24.1 43.6 45 55 A A >> - 0 0 0 -12,-0.4 3,-1.3 51,-0.3 4,-0.5 -0.736 32.5-133.0 -89.9 144.2 -2.9 21.6 43.2 46 56 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.868 106.1 60.0 -59.0 -39.4 -2.2 17.8 43.1 47 57 A H G >4 S+ 0 0 34 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.736 93.7 65.2 -67.1 -17.1 -4.4 17.4 40.0 48 58 A a G <4 S+ 0 0 10 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.754 108.7 39.1 -72.0 -22.5 -2.2 19.8 38.1 49 59 A V G << S+ 0 0 12 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.138 80.3 104.1-122.7 24.4 0.7 17.4 38.3 50 60 A D < + 0 0 59 -3,-0.8 -1,-0.1 -4,-0.1 -2,-0.1 0.898 66.1 84.3 -65.1 -42.3 -1.0 14.0 37.8 51 61 A R S S- 0 0 51 -4,-0.3 2,-2.5 -3,-0.2 0, 0.0 -0.393 89.4-121.3 -70.1 142.7 0.3 13.9 34.1 52 62 A E + 0 0 201 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.293 67.7 138.2 -75.2 53.9 3.8 12.6 33.5 53 63 A L - 0 0 78 -2,-2.5 2,-0.6 -4,-0.1 -31,-0.0 -0.505 62.6-106.2 -97.0 167.2 4.7 15.9 31.9 54 64 A T - 0 0 94 -31,-0.3 -31,-1.9 -2,-0.2 2,-0.3 -0.869 45.0-165.0 -89.2 124.8 7.8 18.1 32.0 55 65 A F E -J 22 0C 12 -2,-0.6 21,-1.6 -33,-0.2 2,-0.3 -0.782 16.4-177.9-114.1 151.8 6.9 21.2 34.1 56 65AA R E -JM 21 75C 49 -35,-2.3 -35,-2.7 -2,-0.3 2,-0.4 -0.956 20.0-134.6-136.4 157.2 8.5 24.6 34.6 57 66 A V E -JM 20 74C 0 17,-2.9 17,-2.4 -2,-0.3 2,-0.5 -0.922 10.4-157.3-109.1 138.3 7.4 27.5 36.8 58 67 A V E -JM 19 73C 0 -39,-2.5 -39,-2.2 -2,-0.4 3,-0.3 -0.977 11.9-174.3-114.4 123.7 7.3 31.1 35.7 59 68 A V E + M 0 72C 2 13,-2.5 13,-2.0 -2,-0.5 52,-0.1 -0.751 68.2 31.9-108.2 161.5 7.5 33.7 38.4 60 69 A G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.5 10,-0.3 0.792 86.9 151.3 65.5 25.8 7.1 37.5 37.8 61 70 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.690 16.8 150.8 -92.2 146.4 4.7 36.7 34.9 62 71 A H S S+ 0 0 8 1,-0.4 85,-1.7 -2,-0.3 2,-0.6 0.537 70.6 34.5-133.1 -52.3 1.8 39.0 33.8 63 72 A N B > -O 146 0D 10 3,-0.3 3,-0.8 83,-0.2 -1,-0.4 -0.944 64.9-158.1-111.5 116.2 1.1 38.5 30.1 64 73 A L T 3 S+ 0 0 32 81,-2.6 -1,-0.1 -2,-0.6 82,-0.1 0.752 91.1 44.6 -64.3 -23.4 1.6 34.9 29.0 65 74 A N T 3 S+ 0 0 114 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.404 110.2 51.6-108.2 -0.7 2.1 35.8 25.3 66 75 A Q S < S- 0 0 112 -3,-0.8 2,-0.4 79,-0.2 -3,-0.3 -0.971 86.7 -99.6-138.9 152.6 4.4 38.8 25.6 67 76 A N - 0 0 131 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.583 32.2-178.2 -70.5 123.3 7.8 39.7 27.2 68 77 A N - 0 0 26 -2,-0.4 -1,-0.2 -5,-0.1 -4,-0.0 0.552 37.3-126.7 -97.9 -14.8 7.1 41.6 30.4 69 78 A G S S+ 0 0 61 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.521 95.9 74.8 77.9 9.5 10.7 42.2 31.3 70 79 A T + 0 0 25 -10,-0.3 40,-0.1 40,-0.0 -9,-0.1 0.408 63.5 119.4-131.6 -2.8 10.1 40.7 34.8 71 80 A E - 0 0 26 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.370 37.7-167.5 -77.0 145.8 9.8 36.9 34.3 72 81 A Q E -M 59 0C 45 -13,-2.0 -13,-2.5 -2,-0.1 2,-0.4 -0.998 11.1-154.6-124.6 134.4 12.1 34.2 35.8 73 82 A Y E +M 58 0C 113 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.912 17.7 172.4-112.7 129.0 11.8 30.6 34.4 74 83 A V E -M 57 0C 7 -17,-2.4 -17,-2.9 -2,-0.4 -2,-0.0 -0.998 27.7-121.2-142.9 135.8 12.8 27.6 36.5 75 84 A G E -M 56 0C 33 -2,-0.4 27,-2.4 -19,-0.2 2,-0.6 -0.266 28.5-114.8 -63.1 155.6 12.5 23.9 36.1 76 85 A V E -N 101 0C 31 -21,-1.6 25,-0.2 25,-0.2 -21,-0.2 -0.870 31.2-179.5 -93.5 123.5 10.6 21.7 38.6 77 86 A Q E + 0 0 110 23,-2.8 2,-0.3 -2,-0.6 24,-0.2 0.733 65.3 10.6 -95.2 -33.4 13.1 19.3 40.4 78 87 A K E -N 100 0C 87 22,-1.4 22,-2.5 2,-0.0 2,-0.5 -0.974 59.5-154.2-149.9 139.6 10.8 17.3 42.7 79 88 A I E -N 99 0C 67 -2,-0.3 2,-0.7 20,-0.2 20,-0.2 -0.970 8.5-171.7-118.8 125.0 7.1 17.0 43.0 80 89 A V E -N 98 0C 29 18,-3.0 18,-2.4 -2,-0.5 2,-0.3 -0.920 8.2-168.7-117.2 103.0 5.6 16.0 46.3 81 90 A V E -N 97 0C 45 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.685 40.0 -90.9 -88.2 151.0 1.9 15.3 46.1 82 91 A H > - 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