==== 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 SERINE PROTEINASE 18-JUN-99 1QIX . COMPND 2 MOLECULE: BETA-CASOMORPHIN-7; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.C.WILMOUTH,I.J.CLIFTON,J.HAJDU,C.J.SCHOFIELD . 244 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 63.1 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 . 84 34.4 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 . 5 2.0 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.3 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 . 5 3 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 0 1 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 4 A V 0 0 70 0, 0.0 214,-0.2 0, 0.0 92,-0.1 0.000 360.0 360.0 360.0 145.7 -17.4 18.3 40.0 2 5 A E E -A 214 0A 83 212,-2.6 212,-2.2 216,-0.1 216,-0.0 -0.921 360.0-136.5-120.4 107.1 -14.9 19.7 37.5 3 6 A P E A 213 0A 48 0, 0.0 210,-0.3 0, 0.0 209,-0.1 -0.326 360.0 360.0 -52.9 136.7 -11.2 20.3 38.5 4 7 A I 0 0 6 208,-2.4 189,-2.5 186,-0.1 187,-2.4 0.482 360.0 360.0-131.8 360.0 -10.1 23.7 37.2 5 !* 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 6 16 B V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 119.0 -11.2 33.9 36.1 7 17 B V B 3 +I 187 0B 9 180,-2.5 180,-1.7 1,-0.2 134,-0.1 -0.755 360.0 11.9 -90.2 140.9 -14.8 34.7 34.8 8 18 B G T 3 S+ 0 0 40 132,-0.6 -1,-0.2 -2,-0.3 178,-0.1 0.710 98.1 138.9 69.4 26.0 -16.0 38.2 35.6 9 19 B G < - 0 0 21 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.179 46.3-134.6 -98.2 179.9 -12.6 39.5 36.6 10 20 B T E -B 152 0A 90 142,-2.4 142,-2.6 -2,-0.0 2,-0.2 -0.936 39.6 -86.7-126.8 160.6 -10.7 42.7 36.0 11 21 B E E -B 151 0A 111 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.384 46.8-129.7 -71.0 130.7 -7.0 43.0 34.9 12 22 B A - 0 0 1 138,-2.8 2,-0.1 -2,-0.2 138,-0.1 -0.578 22.3-105.4 -78.2 149.7 -4.8 43.0 38.0 13 23 B Q > - 0 0 56 -2,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.460 36.6-114.3 -67.5 147.1 -2.1 45.6 38.5 14 24 B R T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.676 111.3 39.9 -64.0 -16.4 1.3 44.0 37.8 15 25 B N T 3 S+ 0 0 101 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.202 90.6 91.2-113.4 16.7 2.6 44.4 41.4 16 26 B S S < S+ 0 0 54 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.852 95.7 25.2 -81.1 -34.9 -0.5 43.5 43.4 17 27 B W > + 0 0 29 -4,-0.5 3,-1.7 1,-0.1 -1,-0.2 -0.599 66.3 166.6-131.9 67.3 -0.2 39.8 43.9 18 28 B P T 3 S+ 0 0 34 0, 0.0 97,-1.3 0, 0.0 45,-0.3 0.579 70.6 64.2 -65.5 -8.1 3.6 39.0 43.7 19 29 B S T 3 S+ 0 0 8 95,-0.2 20,-2.7 97,-0.1 2,-0.2 0.523 76.7 110.1 -88.6 -11.0 3.2 35.5 45.1 20 30 B Q E < -J 38 0C 8 -3,-1.7 43,-0.5 18,-0.2 44,-0.4 -0.512 49.0-171.8 -66.9 131.3 1.2 34.3 42.1 21 31 B I E -J 37 0C 1 16,-2.3 16,-0.8 -2,-0.2 2,-0.5 -0.859 21.4-132.2-118.7 158.4 3.0 31.9 39.8 22 32 B S E -JK 36 61C 0 39,-2.2 39,-2.5 -2,-0.3 2,-0.5 -0.976 18.1-152.9-107.4 125.5 2.2 30.3 36.4 23 33 B L E -JK 35 60C 0 12,-2.9 11,-3.0 -2,-0.5 12,-1.9 -0.884 22.3-179.4-101.2 119.9 2.7 26.6 36.3 24 34 B Q E -JK 33 59C 10 35,-2.6 35,-2.5 -2,-0.5 2,-0.3 -0.887 17.8-150.6-125.0 152.5 3.5 25.5 32.7 25 35 B Y E -JK 32 58C 65 7,-2.1 7,-2.6 -2,-0.3 2,-0.4 -0.883 31.2-102.1-125.7 154.2 4.2 22.2 30.9 26 36 B R E -J 31 0C 127 31,-1.6 2,-0.5 -2,-0.3 31,-0.3 -0.674 36.1-177.0 -78.0 130.9 6.3 21.5 27.9 27 36AB S E > -J 30 0C 53 3,-3.8 3,-2.6 -2,-0.4 2,-0.3 -0.963 59.5 -58.9-131.3 97.3 4.2 21.0 24.8 28 36BB G T 3 S- 0 0 62 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.374 121.4 -16.3 65.2-118.0 6.3 20.2 21.7 29 36CB S T 3 S+ 0 0 136 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.355 132.9 54.4-102.2 6.3 8.7 23.1 21.3 30 37 B S E < S-J 27 0C 69 -3,-2.6 -3,-3.8 -5,-0.0 2,-0.4 -0.737 77.1-117.0-131.1-179.1 6.8 25.5 23.6 31 38 B W E -J 26 0C 86 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.948 23.6-155.6-118.9 139.1 5.4 25.7 27.1 32 39 B A E -J 25 0C 29 -7,-2.6 -7,-2.1 -2,-0.4 2,-0.1 -0.956 21.1-117.3-120.8 139.8 1.7 26.1 27.9 33 40 B H E +J 24 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.505 40.4 161.9 -70.3 136.1 0.2 27.5 31.0 34 41 B T E - 0 0 29 -11,-3.0 2,-0.3 1,-0.4 157,-0.2 0.571 56.3 -4.3-124.8 -30.0 -1.8 24.8 32.9 35 42 B a E -J 23 0C 4 -12,-1.9 -12,-2.9 157,-0.1 -1,-0.4 -0.945 60.1-114.6-156.4 170.5 -2.4 26.0 36.5 36 43 B G E +J 22 0C 0 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.406 30.0 177.4 -99.9-174.8 -1.6 28.7 39.1 37 44 B G E -J 21 0C 0 -16,-0.8 -16,-2.3 -2,-0.2 2,-0.4 -0.943 26.4-115.7-172.2 171.8 0.4 28.3 42.3 38 45 B T E -JL 20 46C 1 8,-2.4 8,-3.0 -2,-0.3 2,-0.5 -0.994 22.1-129.6-123.8 130.4 1.7 30.4 45.2 39 46 B L E + L 0 45C 1 -20,-2.7 78,-2.8 -2,-0.4 6,-0.2 -0.615 34.4 167.7 -75.1 117.5 5.4 30.9 45.9 40 47 B I E + 0 0 1 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.658 66.1 11.7-111.9 -15.1 5.7 30.0 49.6 41 48 B R E > S- L 0 44C 92 3,-1.9 3,-1.3 74,-0.1 -1,-0.4 -0.892 90.3 -96.7-144.4 170.1 9.6 29.9 50.0 42 49 B Q T 3 S+ 0 0 85 -2,-0.3 66,-2.3 1,-0.3 64,-0.1 0.767 127.7 27.0 -64.8 -17.9 12.3 31.0 47.5 43 50 B N T 3 S+ 0 0 52 64,-0.2 61,-2.3 62,-0.1 2,-0.4 0.115 112.9 74.2-128.1 27.9 12.5 27.4 46.3 44 51 B W E < -LM 41 103C 4 -3,-1.3 -4,-2.6 59,-0.2 -3,-1.9 -0.999 51.3-169.7-145.0 135.4 9.0 26.0 47.0 45 52 B V E -LM 39 102C 0 57,-2.3 57,-2.7 -2,-0.4 2,-0.5 -0.964 14.2-143.7-122.1 143.5 5.6 26.5 45.4 46 53 B M E +LM 38 101C 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.2 -0.896 36.0 146.1-106.4 131.1 2.2 25.4 46.6 47 54 B T E - M 0 100C 0 53,-2.8 53,-2.6 -2,-0.5 2,-0.4 -0.738 51.2 -70.3-147.2-172.5 -0.3 24.3 44.0 48 55 B A >> - 0 0 0 -12,-0.4 3,-1.4 51,-0.3 4,-0.6 -0.765 33.4-132.8 -87.1 144.1 -3.1 21.7 43.6 49 56 B A G >4 S+ 0 0 0 -2,-0.4 3,-1.6 1,-0.3 4,-0.4 0.883 104.8 61.6 -61.8 -34.8 -2.3 18.0 43.4 50 57 B H G 34 S+ 0 0 24 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.719 95.0 61.5 -68.5 -18.0 -4.5 17.6 40.4 51 58 B a G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.734 109.3 42.0 -74.1 -21.5 -2.4 20.0 38.4 52 59 B V S << S+ 0 0 10 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.276 83.0 100.9-112.1 15.6 0.7 17.7 38.8 53 60 B D + 0 0 59 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.697 65.0 83.5 -64.5 -38.7 -1.0 14.3 38.2 54 61 B R S S- 0 0 94 -3,-0.2 2,-1.7 -4,-0.2 -3,-0.0 -0.374 89.0-116.5 -70.8 155.6 0.2 14.0 34.6 55 62 B E S S+ 0 0 196 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.591 70.5 132.6 -87.4 70.0 3.6 12.7 33.7 56 63 B L - 0 0 59 -2,-1.7 2,-0.6 -4,-0.2 -29,-0.1 -0.809 64.5-107.1-117.7 167.7 4.7 16.0 32.1 57 64 B T - 0 0 71 -31,-0.3 -31,-1.6 -2,-0.3 2,-0.3 -0.875 43.3-162.7 -94.5 126.8 7.7 18.2 32.4 58 65 B F E -K 25 0C 11 -2,-0.6 21,-1.1 -33,-0.2 2,-0.3 -0.775 15.0-176.0-111.2 154.6 6.8 21.3 34.4 59 65AB R E -KN 24 78C 51 -35,-2.5 -35,-2.6 -2,-0.3 2,-0.4 -0.963 18.8-134.4-138.4 160.2 8.4 24.7 34.9 60 66 B V E -KN 23 77C 0 17,-3.2 17,-2.5 -2,-0.3 2,-0.5 -0.932 10.4-159.1-116.1 138.0 7.4 27.6 37.1 61 67 B V E -KN 22 76C 0 -39,-2.5 -39,-2.2 -2,-0.4 3,-0.3 -0.973 11.7-175.9-116.6 122.4 7.3 31.3 36.0 62 68 B V E + N 0 75C 2 13,-2.3 13,-2.0 -2,-0.5 52,-0.1 -0.730 66.5 31.8-113.4 154.6 7.4 34.0 38.7 63 69 B G S S+ 0 0 5 50,-0.5 2,-0.3 -43,-0.5 10,-0.3 0.799 86.6 150.8 75.6 20.6 7.1 37.7 38.1 64 70 B E + 0 0 19 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.689 18.5 152.7 -89.7 150.9 4.7 37.0 35.2 65 71 B H S S+ 0 0 7 1,-0.4 85,-1.8 -2,-0.3 2,-0.6 0.503 71.7 33.1-137.8 -55.0 1.9 39.3 34.1 66 72 B N B > -P 149 0D 14 3,-0.3 3,-1.0 83,-0.2 -1,-0.4 -0.961 66.2-156.1-111.1 119.3 1.2 38.8 30.3 67 73 B L T 3 S+ 0 0 35 81,-2.9 -1,-0.1 -2,-0.6 82,-0.1 0.743 90.6 44.5 -65.0 -24.0 1.7 35.2 29.3 68 74 B N T 3 S+ 0 0 112 80,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.307 109.3 54.0-105.2 3.9 2.3 36.1 25.6 69 75 B Q S < S- 0 0 126 -3,-1.0 2,-0.4 79,-0.2 -3,-0.3 -0.988 88.1 -99.6-138.6 153.5 4.7 39.1 25.9 70 76 B N - 0 0 135 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.494 32.1-177.9 -73.0 118.5 7.9 39.9 27.6 71 77 B N - 0 0 29 -2,-0.4 -1,-0.2 -5,-0.1 -4,-0.0 0.619 37.1-127.8 -89.8 -23.1 7.1 41.8 30.8 72 78 B G S S+ 0 0 59 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.613 94.6 74.4 86.4 8.6 10.8 42.3 31.7 73 79 B T + 0 0 28 -10,-0.3 2,-0.1 -11,-0.0 -9,-0.1 0.399 64.1 120.3-131.5 -0.8 10.3 40.9 35.2 74 80 B E - 0 0 27 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.410 38.7-166.7 -73.5 151.4 9.9 37.1 34.6 75 81 B Q E -N 62 0C 45 -13,-2.0 -13,-2.3 -2,-0.1 2,-0.5 -0.996 10.9-152.7-130.9 132.7 12.1 34.4 36.1 76 82 B Y E +N 61 0C 119 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.934 19.2 174.1-111.1 128.1 11.9 30.8 34.7 77 83 B V E -N 60 0C 15 -17,-2.5 -17,-3.2 -2,-0.5 2,-0.1 -0.997 24.6-126.9-140.7 139.6 12.7 27.9 36.9 78 84 B G E -N 59 0C 34 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.263 26.0-114.4 -79.3 161.6 12.5 24.1 36.6 79 85 B V E +O 104 0C 33 -21,-1.1 25,-0.2 25,-0.2 -21,-0.2 -0.922 28.2 179.6-100.4 124.4 10.8 21.8 39.1 80 86 B Q E + 0 0 104 23,-2.2 2,-0.3 -2,-0.6 24,-0.2 0.725 66.8 12.0 -92.0 -34.6 13.1 19.4 40.9 81 87 B K E -O 103 0C 84 22,-1.5 22,-2.7 2,-0.0 2,-0.5 -0.974 58.4-154.1-148.9 137.6 10.7 17.4 43.1 82 88 B I E -O 102 0C 71 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.972 9.8-172.1-113.6 125.1 6.9 17.1 43.3 83 89 B V E -O 101 0C 29 18,-3.2 18,-3.0 -2,-0.5 2,-0.3 -0.949 6.2-170.9-119.0 109.4 5.4 16.2 46.7 84 90 B V E -O 100 0C 48 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.726 40.1 -89.3 -95.0 147.4 1.6 15.4 46.5 85 91 B H > - 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