==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-OCT-05 2BD2 . 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) . 10393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 65.3 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 . 20 8.3 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 16 0, 0.0 189,-3.1 0, 0.0 188,-1.4 0.000 360.0 360.0 360.0 360.0 -9.7 23.4 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 0.000 360.0 360.0 360.0 122.3 -11.2 33.5 35.8 4 17 A V B 3 +A 184 0A 10 180,-2.4 180,-1.9 1,-0.2 134,-0.1 -0.796 360.0 12.5 -92.8 139.4 -14.7 34.2 34.5 5 18 A G T 3 S+ 0 0 40 132,-0.6 -1,-0.2 -2,-0.4 178,-0.1 0.761 97.5 143.8 66.7 29.8 -16.0 37.8 35.3 6 19 A G < - 0 0 23 -3,-0.6 2,-0.3 131,-0.1 144,-0.2 -0.213 44.2-136.7 -88.7 177.7 -12.5 39.0 36.2 7 20 A T E -B 149 0B 86 142,-2.2 142,-2.7 -2,-0.1 2,-0.3 -0.927 40.3 -87.4-126.6 156.6 -10.7 42.3 35.8 8 21 A E E -B 148 0B 113 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.495 45.6-128.7 -67.2 127.0 -7.1 42.7 34.7 9 22 A A - 0 0 1 138,-2.5 2,-0.2 -2,-0.3 138,-0.1 -0.480 24.4-107.2 -68.3 144.8 -4.8 42.6 37.8 10 23 A Q > - 0 0 71 -2,-0.1 3,-1.7 1,-0.1 4,-0.4 -0.498 36.2-109.5 -66.2 146.3 -2.3 45.4 38.2 11 24 A R T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.715 114.2 36.4 -50.7 -31.3 1.3 44.0 37.5 12 25 A N T 3 S+ 0 0 89 1,-0.1 -1,-0.3 99,-0.0 99,-0.0 0.250 89.9 93.0-113.1 15.3 2.4 44.2 41.1 13 26 A S S < S+ 0 0 55 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.883 97.0 24.1 -72.4 -41.3 -0.8 43.3 43.1 14 27 A W > + 0 0 27 -4,-0.4 3,-2.0 1,-0.1 -1,-0.2 -0.624 66.3 165.7-130.0 64.3 -0.2 39.5 43.5 15 28 A P T 3 S+ 0 0 31 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.589 72.2 63.2 -69.4 -8.0 3.5 38.9 43.2 16 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.8 97,-0.1 2,-0.3 0.585 77.9 109.2 -87.7 -7.2 3.3 35.3 44.6 17 30 A Q E < -I 35 0C 5 -3,-2.0 43,-0.4 18,-0.2 44,-0.4 -0.502 49.4-174.2 -69.8 130.7 1.2 34.2 41.7 18 31 A I E -I 34 0C 0 16,-2.3 16,-0.9 -2,-0.3 2,-0.5 -0.850 23.9-129.4-119.7 160.3 3.1 31.8 39.3 19 32 A S E -IJ 33 58C 0 39,-2.2 39,-2.5 -2,-0.3 2,-0.6 -0.955 17.7-154.6-106.0 121.8 2.3 30.2 36.0 20 33 A L E +IJ 32 57C 0 12,-3.0 11,-2.9 -2,-0.5 12,-1.8 -0.900 23.7 179.9 -97.1 122.8 2.9 26.4 35.9 21 34 A Q E -IJ 30 56C 10 35,-2.8 35,-2.4 -2,-0.6 2,-0.3 -0.842 18.8-145.4-125.9 155.7 3.6 25.4 32.3 22 35 A Y E -IJ 29 55C 68 7,-2.4 7,-2.7 -2,-0.3 2,-0.3 -0.913 30.5-101.4-123.4 153.2 4.4 22.2 30.4 23 36 A R E +I 28 0C 51 31,-1.9 2,-0.4 -2,-0.3 31,-0.3 -0.558 38.4 179.7 -75.4 129.1 6.6 21.6 27.5 24 36AA S E > -I 27 0C 55 3,-3.5 3,-2.1 -2,-0.3 2,-0.3 -0.915 59.2 -57.5-136.7 99.7 4.5 21.2 24.3 25 36BA G T 3 S- 0 0 80 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.467 120.3 -17.3 61.3-121.3 6.6 20.6 21.2 26 36CA S T 3 S+ 0 0 136 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.325 134.0 56.0 -95.0 5.6 9.1 23.4 20.8 27 37 A S E < S-I 24 0C 67 -3,-2.1 -3,-3.5 -5,-0.0 2,-0.4 -0.632 78.0-112.7-129.1-173.4 7.1 25.7 23.2 28 38 A W E -I 23 0C 93 -5,-0.3 2,-0.5 -2,-0.2 -5,-0.2 -0.963 22.8-156.8-125.1 139.5 5.6 25.9 26.7 29 39 A A E -I 22 0C 27 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.2 -0.970 20.6-120.6-121.2 130.3 1.9 26.0 27.5 30 40 A H E +I 21 0C 21 -2,-0.5 -9,-0.3 -9,-0.2 3,-0.1 -0.501 39.5 160.5 -60.5 133.1 0.3 27.4 30.6 31 41 A T E - 0 0 31 -11,-2.9 2,-0.3 1,-0.4 159,-0.2 0.680 55.9 -4.1-122.7 -30.8 -1.7 24.7 32.5 32 42 A a E -I 20 0C 0 -12,-1.8 -12,-3.0 212,-0.2 -1,-0.4 -0.956 60.1-112.6-155.3 165.1 -2.2 25.9 36.1 33 43 A G E +I 19 0C 0 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.397 29.7 179.2 -94.4 177.3 -1.5 28.5 38.7 34 44 A G E -I 18 0C 0 -16,-0.9 -16,-2.3 -2,-0.1 2,-0.4 -0.940 25.6-118.3-163.9 172.7 0.7 28.2 41.8 35 45 A T E -IK 17 43C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.994 22.7-130.0-124.9 126.7 1.9 30.3 44.8 36 46 A L E + K 0 42C 1 -20,-2.8 78,-3.2 -2,-0.4 6,-0.2 -0.638 34.9 166.7 -73.0 120.4 5.5 30.9 45.4 37 47 A I E + 0 0 3 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.644 65.8 14.0-112.9 -20.6 6.0 30.0 49.1 38 48 A R E > S- K 0 41C 93 3,-1.7 3,-1.5 74,-0.1 -1,-0.3 -0.908 89.6 -99.4-137.8 165.9 9.9 29.9 49.4 39 49 A Q T 3 S+ 0 0 88 -2,-0.3 66,-2.3 1,-0.3 64,-0.1 0.816 127.8 28.4 -60.4 -21.0 12.4 31.1 46.9 40 50 A N T 3 S+ 0 0 48 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.113 112.5 75.0-125.1 21.8 12.7 27.6 45.7 41 51 A W E < -KL 38 100C 5 -3,-1.5 -4,-2.6 59,-0.2 -3,-1.7 -0.991 51.3-169.4-137.1 137.5 9.2 26.1 46.5 42 52 A V E -KL 36 99C 0 57,-2.2 57,-3.3 -2,-0.4 2,-0.5 -0.964 13.9-144.9-121.7 137.2 5.8 26.5 44.8 43 53 A M E +KL 35 98C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.881 36.3 146.6 -99.7 128.1 2.5 25.4 46.2 44 54 A T E - L 0 97C 0 53,-2.7 53,-2.2 -2,-0.5 2,-0.4 -0.703 50.2 -69.4-142.7-170.8 0.0 24.1 43.6 45 55 A A >> - 0 0 0 -12,-0.4 3,-1.0 51,-0.3 4,-0.6 -0.762 32.2-134.2 -90.5 139.9 -2.8 21.6 43.1 46 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.872 106.0 60.2 -53.6 -42.4 -2.0 17.9 43.0 47 57 A H G >4 S+ 0 0 33 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.768 93.6 65.4 -65.0 -19.4 -4.2 17.4 40.0 48 58 A a G <4 S+ 0 0 9 -3,-1.0 -1,-0.3 1,-0.2 3,-0.2 0.785 108.0 39.9 -71.0 -22.7 -2.1 19.9 38.1 49 59 A V G << S+ 0 0 13 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.105 80.6 102.1-120.8 25.1 0.9 17.5 38.2 50 60 A D < + 0 0 56 -3,-1.0 -1,-0.2 -4,-0.1 -2,-0.1 0.876 66.5 85.5 -66.9 -40.9 -0.8 14.1 37.6 51 61 A R S S- 0 0 54 -4,-0.4 2,-1.9 -3,-0.2 0, 0.0 -0.338 89.4-120.5 -67.0 143.6 0.3 14.1 34.0 52 62 A E + 0 0 191 2,-0.0 2,-0.1 -2,-0.0 -1,-0.1 -0.261 67.7 137.0 -73.5 51.3 3.8 12.8 33.2 53 63 A L - 0 0 77 -2,-1.9 2,-0.6 -4,-0.0 -31,-0.0 -0.462 62.8-107.5 -99.6 167.8 4.9 16.1 31.7 54 64 A T - 0 0 94 -31,-0.3 -31,-1.9 -2,-0.1 2,-0.3 -0.861 45.2-163.7 -90.4 125.9 7.9 18.3 31.9 55 65 A F E -J 22 0C 11 -2,-0.6 21,-1.6 -33,-0.2 2,-0.3 -0.825 17.4-178.8-115.4 150.1 7.0 21.4 34.0 56 65AA R E -JM 21 75C 46 -35,-2.4 -35,-2.8 -2,-0.3 2,-0.4 -0.948 19.4-135.8-135.2 161.4 8.5 24.8 34.5 57 66 A V E -JM 20 74C 0 17,-2.8 17,-2.5 -2,-0.3 2,-0.5 -0.930 9.9-157.9-114.0 136.9 7.4 27.7 36.7 58 67 A V E -JM 19 73C 0 -39,-2.5 -39,-2.2 -2,-0.4 3,-0.3 -0.982 11.3-174.0-114.0 123.2 7.3 31.3 35.6 59 68 A V E + M 0 72C 1 13,-2.4 13,-2.2 -2,-0.5 52,-0.1 -0.773 68.9 34.0-107.6 159.7 7.5 34.0 38.3 60 69 A G S S+ 0 0 5 50,-0.6 2,-0.4 -43,-0.4 10,-0.3 0.796 86.7 151.6 68.3 25.8 7.1 37.7 37.6 61 70 A E + 0 0 18 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.748 16.8 150.5 -96.1 140.0 4.6 36.8 34.9 62 71 A H S S+ 0 0 7 -2,-0.4 85,-1.8 1,-0.3 2,-0.6 0.591 70.4 33.9-127.4 -51.5 1.8 39.1 33.7 63 72 A N B > -O 146 0D 9 3,-0.3 3,-0.9 83,-0.2 -1,-0.3 -0.939 60.8-160.8-113.3 118.9 1.0 38.5 30.1 64 73 A L T 3 S+ 0 0 42 81,-2.6 -1,-0.1 -2,-0.6 82,-0.1 0.737 92.0 48.1 -66.6 -21.6 1.5 35.0 28.9 65 74 A N T 3 S+ 0 0 109 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.423 111.1 44.5-103.7 -1.9 1.7 36.1 25.3 66 75 A Q S < S- 0 0 115 -3,-0.9 2,-0.5 79,-0.2 -3,-0.3 -0.978 86.5 -95.6-147.2 154.1 4.2 39.0 25.5 67 76 A N - 0 0 131 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.587 32.3-178.1 -70.4 122.4 7.5 39.9 27.1 68 77 A N - 0 0 25 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.568 36.7-127.4 -95.9 -15.9 6.8 41.8 30.3 69 78 A G S S+ 0 0 62 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.554 95.7 74.5 79.6 10.7 10.5 42.4 31.2 70 79 A T + 0 0 25 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.445 63.3 120.2-131.8 -6.4 10.0 40.9 34.6 71 80 A E - 0 0 27 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.327 37.3-168.1 -73.4 146.6 9.8 37.1 34.1 72 81 A Q E -M 59 0C 45 -13,-2.2 -13,-2.4 -2,-0.1 2,-0.5 -0.997 12.0-154.7-125.6 131.6 12.1 34.5 35.6 73 82 A Y E +M 58 0C 113 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.919 17.8 173.5-110.6 129.5 11.8 30.9 34.2 74 83 A V E -M 57 0C 6 -17,-2.5 -17,-2.8 -2,-0.5 -2,-0.0 -0.998 27.0-122.7-141.0 134.6 12.8 27.9 36.4 75 84 A G E -M 56 0C 32 -2,-0.4 27,-2.9 -19,-0.2 2,-0.6 -0.330 28.3-113.3 -69.4 158.5 12.6 24.2 36.0 76 85 A V E -N 101 0C 32 -21,-1.6 25,-0.2 25,-0.2 -21,-0.2 -0.852 31.5-179.9 -92.0 121.6 10.8 21.9 38.4 77 86 A Q E + 0 0 110 23,-2.8 2,-0.3 -2,-0.6 24,-0.2 0.773 65.2 11.0 -95.4 -32.5 13.3 19.7 40.2 78 87 A K E -N 100 0C 85 22,-1.5 22,-2.6 2,-0.0 2,-0.5 -0.989 59.3-154.0-151.6 141.4 11.0 17.6 42.5 79 88 A I E -N 99 0C 66 -2,-0.3 2,-0.7 20,-0.2 20,-0.2 -0.972 8.5-172.7-120.9 120.8 7.3 17.2 42.8 80 89 A V E -N 98 0C 29 18,-3.0 18,-2.5 -2,-0.5 2,-0.3 -0.916 8.0-169.1-114.1 104.8 5.8 16.2 46.2 81 90 A V E -N 97 0C 44 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.688 39.5 -91.6 -89.3 150.2 2.1 15.4 46.0 82 91 A H > - 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