==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 20-SEP-10 3OWN . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.BORKAKOTI,D.DERBYSHIRE . 668 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 211 31.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 78 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 5 2 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 6 2 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 . 4 10 5 4 9 4 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 1 0 3 0 2 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 1 A G 0 0 59 0, 0.0 149,-0.2 0, 0.0 148,-0.2 0.000 360.0 360.0 360.0-161.6 0.3 -17.8 -64.7 2 2 A N + 0 0 132 147,-0.4 2,-0.4 146,-0.1 148,-0.2 0.053 360.0 124.4-129.7 23.4 1.7 -14.7 -63.0 3 3 A T B +a 150 0A 57 146,-3.1 148,-2.7 2,-0.0 2,-0.4 -0.738 28.9 173.9 -93.3 128.9 -1.1 -14.1 -60.4 4 4 A T - 0 0 78 -2,-0.4 2,-0.4 146,-0.2 170,-0.2 -0.992 15.8-175.7-122.6 129.7 -0.4 -13.8 -56.7 5 5 A S E -B 173 0B 15 168,-2.6 168,-3.9 -2,-0.4 2,-0.3 -0.985 10.2-148.1-130.5 140.3 -3.5 -12.9 -54.7 6 6 A S E -B 172 0B 57 -2,-0.4 2,-0.5 166,-0.2 166,-0.2 -0.851 6.6-155.5-112.9 149.1 -4.0 -12.1 -51.0 7 7 A V E -B 171 0B 7 164,-2.6 164,-2.4 -2,-0.3 2,-0.4 -0.982 21.9-138.9-112.0 121.1 -6.8 -12.5 -48.5 8 8 A I E -B 170 0B 119 -2,-0.5 12,-0.4 162,-0.2 2,-0.3 -0.658 21.8-152.5 -79.8 135.4 -6.7 -10.1 -45.6 9 9 A L E -B 169 0B 3 160,-2.6 160,-0.9 -2,-0.4 159,-0.8 -0.819 9.3-136.3-110.1 152.2 -7.5 -11.8 -42.3 10 10 A T E -G 18 0C 69 8,-3.2 8,-2.0 -2,-0.3 2,-0.6 -0.882 15.2-146.8-100.2 136.0 -9.0 -10.4 -39.1 11 11 A N E -G 17 0C 20 -2,-0.4 2,-0.7 6,-0.2 6,-0.2 -0.925 11.4-167.4-102.0 114.3 -7.4 -11.6 -35.8 12 12 A Y E >> S-G 16 0C 78 4,-3.0 3,-2.1 -2,-0.6 4,-2.0 -0.949 71.9 -35.6-104.3 111.8 -9.9 -11.9 -33.0 13 13 A M T 34 S- 0 0 109 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.665 103.2 -74.3 54.1 27.7 -8.1 -12.3 -29.6 14 14 A D T 34 S+ 0 0 24 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.548 128.5 78.4 64.8 7.2 -5.2 -14.3 -31.1 15 15 A T T <4 S+ 0 0 27 -3,-2.1 2,-0.5 1,-0.3 -2,-0.2 0.668 85.6 48.5-117.4 -24.5 -7.5 -17.3 -31.4 16 16 A Q E < +G 12 0C 26 -4,-2.0 -4,-3.0 2,-0.0 2,-0.5 -0.965 55.4 179.0-129.9 115.5 -9.6 -16.8 -34.5 17 17 A Y E +G 11 0C 5 -2,-0.5 17,-0.4 -6,-0.2 2,-0.3 -0.975 21.4 155.2-114.6 116.3 -8.1 -15.7 -37.8 18 18 A Y E -G 10 0C 17 -8,-2.0 -8,-3.2 -2,-0.5 15,-0.2 -0.966 22.4-164.6-142.0 156.7 -10.7 -15.4 -40.5 19 19 A G E -H 32 0D 5 13,-2.5 13,-2.8 -2,-0.3 2,-0.4 -0.604 28.8 -90.1-126.2-167.9 -11.3 -13.6 -43.8 20 20 A E E -H 31 0D 119 -12,-0.4 77,-0.4 11,-0.2 2,-0.3 -0.850 29.5-178.4-110.2 138.8 -14.1 -12.8 -46.2 21 21 A I E -H 30 0D 1 9,-2.1 9,-2.6 -2,-0.4 2,-0.5 -0.945 18.7-140.4-123.8 155.7 -15.5 -14.8 -49.2 22 22 A G E -HI 29 95D 3 73,-1.8 73,-2.7 -2,-0.3 2,-0.5 -0.976 18.4-168.6-112.6 128.1 -18.3 -13.7 -51.5 23 23 A I E > -HI 28 94D 0 5,-3.7 5,-1.8 -2,-0.5 71,-0.2 -0.942 44.5 -6.7-119.0 128.6 -20.8 -16.4 -52.6 24 24 A G T 5S- 0 0 7 69,-2.7 42,-0.1 -2,-0.5 71,-0.1 -0.372 92.0 -37.2 95.6-178.0 -23.4 -16.1 -55.4 25 25 A T T 5S+ 0 0 58 1,-0.2 42,-1.9 2,-0.1 43,-0.3 -0.973 134.9 23.4-136.8 111.3 -24.7 -13.3 -57.6 26 26 A P T 5S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.691 122.2-100.1 -70.4 161.7 -24.9 -10.7 -56.2 27 27 A P T 5 - 0 0 90 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.227 27.7-154.4 -60.3 137.9 -22.2 -11.8 -53.7 28 28 A Q E < -H 23 0D 29 -5,-1.8 -5,-3.7 31,-0.0 2,-0.3 -0.976 23.8-137.3-106.9 125.7 -23.3 -13.0 -50.2 29 29 A T E -H 22 0D 51 -2,-0.5 2,-0.4 -7,-0.3 -7,-0.2 -0.638 23.6-177.8 -94.2 135.9 -20.4 -12.3 -47.9 30 30 A F E -H 21 0D 1 -9,-2.6 -9,-2.1 -2,-0.3 2,-0.5 -0.996 27.0-132.3-135.0 141.2 -19.2 -14.8 -45.3 31 31 A K E +H 20 0D 97 -2,-0.4 91,-2.3 -11,-0.2 92,-2.2 -0.796 40.9 176.5 -84.2 125.8 -16.5 -14.7 -42.6 32 32 A V E -Hj 19 123D 0 -13,-2.8 -13,-2.5 -2,-0.5 2,-0.4 -0.978 31.9-130.3-134.3 149.7 -14.5 -18.0 -42.9 33 33 A V E - j 0 124D 12 90,-2.0 92,-2.9 -2,-0.3 2,-0.7 -0.779 24.6-133.9 -89.6 141.5 -11.5 -19.7 -41.4 34 34 A F E - j 0 125D 4 -17,-0.4 2,-0.6 -2,-0.4 92,-0.2 -0.896 28.9-166.0 -99.6 116.8 -9.0 -21.1 -43.9 35 35 A D E > - j 0 126D 12 90,-2.5 92,-3.0 -2,-0.7 3,-1.2 -0.898 28.0-176.3-119.0 105.6 -8.2 -24.6 -42.6 36 36 A T T 3 S+ 0 0 4 -2,-0.6 160,-0.5 1,-0.2 93,-0.2 0.654 85.9 70.5 -71.7 -12.4 -5.3 -26.7 -43.9 37 37 A G T 3 S+ 0 0 35 91,-0.1 2,-0.3 158,-0.1 -1,-0.2 0.539 107.5 29.9 -81.6 -3.3 -6.6 -29.5 -41.6 38 38 A S < - 0 0 13 -3,-1.2 90,-2.8 87,-0.1 89,-0.5 -0.907 61.2-147.7-147.1 175.0 -9.7 -30.1 -43.9 39 39 A S + 0 0 1 93,-0.4 2,-0.4 -2,-0.3 101,-0.2 0.274 62.3 94.2-133.7 7.5 -10.7 -29.8 -47.5 40 40 A N - 0 0 7 92,-0.1 86,-0.8 99,-0.1 2,-0.4 -0.838 57.8-143.5-108.8 146.1 -14.4 -28.8 -47.7 41 41 A V E +K 125 0D 4 63,-0.4 65,-2.7 -2,-0.4 2,-0.3 -0.856 31.4 162.0 -99.3 134.0 -15.9 -25.3 -48.0 42 42 A W E -Kl 124 106D 0 82,-2.2 82,-2.2 -2,-0.4 65,-0.2 -0.966 17.6-178.4-149.3 153.6 -19.1 -24.8 -46.1 43 43 A V E - l 0 107D 0 63,-2.2 65,-2.9 -2,-0.3 80,-0.1 -0.939 44.0 -84.8-136.9 158.8 -21.2 -21.9 -44.9 44 44 A P E - l 0 108D 0 0, 0.0 17,-3.3 0, 0.0 2,-0.3 -0.361 47.5-132.0 -64.9 144.3 -24.5 -21.9 -42.9 45 45 A S B > -o 61 0E 0 63,-3.0 3,-2.0 15,-0.3 17,-0.2 -0.754 15.2-129.1 -99.0 145.4 -27.6 -22.2 -45.0 46 46 A S T 3 S+ 0 0 24 15,-2.9 16,-0.1 -2,-0.3 -1,-0.1 0.714 112.5 64.9 -52.4 -26.2 -30.9 -20.2 -44.9 47 47 A K T 3 S+ 0 0 103 14,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.477 75.1 115.6 -78.0 -6.3 -32.4 -23.8 -44.7 48 48 A a S < S- 0 0 3 -3,-2.0 62,-0.1 60,-0.3 61,-0.1 -0.536 78.6-109.7 -63.2 125.6 -30.8 -24.3 -41.3 49 49 A S > - 0 0 54 60,-0.8 3,-2.1 -2,-0.3 6,-0.3 -0.339 17.0-136.7 -51.0 132.6 -33.6 -24.6 -38.5 50 50 A R T 3 S+ 0 0 141 1,-0.3 6,-0.2 5,-0.1 -1,-0.2 0.508 99.2 82.7 -75.7 -5.4 -33.5 -21.5 -36.3 51 51 A L T 3 S+ 0 0 161 1,-0.1 2,-0.9 4,-0.1 -1,-0.3 0.687 77.4 80.2 -65.6 -18.7 -33.9 -23.9 -33.4 52 52 A Y S X> S- 0 0 72 -3,-2.1 3,-1.2 1,-0.2 4,-1.1 -0.838 75.4-161.3 -86.5 106.7 -30.0 -24.0 -34.0 53 53 A T H 3> S+ 0 0 69 -2,-0.9 4,-1.7 1,-0.3 -1,-0.2 0.807 87.5 64.8 -61.4 -33.8 -29.0 -20.8 -32.2 54 54 A A H 3> S+ 0 0 0 57,-0.5 4,-0.6 1,-0.2 -1,-0.3 0.859 102.4 51.2 -52.9 -36.9 -25.7 -20.8 -34.1 55 55 A a H <4 S+ 0 0 1 -3,-1.2 3,-0.2 56,-0.3 -2,-0.2 0.809 106.6 52.6 -71.4 -31.5 -27.9 -20.3 -37.3 56 56 A V H < S+ 0 0 83 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.853 115.4 42.5 -66.2 -34.2 -29.7 -17.4 -35.7 57 57 A Y H < S+ 0 0 163 -4,-1.7 2,-0.3 2,-0.1 -2,-0.2 0.435 107.8 68.1 -97.8 -3.8 -26.4 -15.8 -34.9 58 58 A H S < S- 0 0 23 -4,-0.6 2,-0.2 -3,-0.2 64,-0.1 -0.787 89.0 -95.2-115.5 160.7 -24.5 -16.4 -38.2 59 59 A K - 0 0 94 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.551 43.4-148.9 -67.4 135.1 -24.8 -15.2 -41.8 60 60 A L - 0 0 30 -2,-0.2 2,-0.4 -17,-0.1 -15,-0.3 -0.928 9.8-125.3-118.3 132.6 -26.9 -17.7 -43.8 61 61 A F B -o 45 0E 0 -17,-3.3 -15,-2.9 -2,-0.4 2,-0.7 -0.660 20.5-160.7 -75.8 126.3 -26.5 -18.5 -47.5 62 62 A D > - 0 0 46 -2,-0.4 3,-1.6 -17,-0.2 4,-0.3 -0.903 11.2-172.6-115.3 103.5 -29.8 -18.0 -49.4 63 63 A A G > S+ 0 0 7 -2,-0.7 3,-1.6 1,-0.3 6,-0.3 0.793 84.5 68.8 -60.8 -33.3 -29.7 -19.9 -52.8 64 64 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.583 99.1 50.5 -59.7 -18.3 -33.1 -18.2 -53.6 65 65 A D G < S+ 0 0 102 -3,-1.6 2,-0.5 -39,-0.0 -1,-0.3 0.483 95.8 84.7 -97.0 -7.9 -31.1 -14.9 -53.9 66 66 A S < - 0 0 13 -3,-1.6 3,-0.4 -4,-0.3 -42,-0.1 -0.863 50.4-171.5-105.0 122.9 -28.4 -16.2 -56.2 67 67 A S S S+ 0 0 100 -42,-1.9 -1,-0.1 -2,-0.5 -4,-0.0 0.710 91.1 53.2 -79.9 -18.1 -28.9 -16.3 -60.0 68 68 A S S S+ 0 0 18 -43,-0.3 -1,-0.2 25,-0.1 -44,-0.1 0.412 81.8 120.0 -97.5 -4.9 -25.6 -18.3 -60.4 69 69 A Y - 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