==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-AUG-12 4GJ9 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,F.ZINK,M.KROEMER . 668 6 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 210 31.4 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 . 69 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 7.9 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 4 0 2 2 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 . 3 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 . 2 6 7 8 7 4 2 0 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 . 1 1 1 0 1 0 3 0 0 0 0 0 1 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 -3 A L 0 0 186 0, 0.0 2,-1.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 130.8 -7.1 36.1 78.7 2 -2 A G + 0 0 41 1,-0.2 147,-0.2 148,-0.1 146,-0.2 -0.524 360.0 96.9 -88.1 68.4 -6.9 36.8 74.9 3 -1 A N + 0 0 121 -2,-1.4 2,-0.3 145,-0.8 146,-0.2 0.317 45.2 123.5-134.5 4.0 -3.9 39.1 74.9 4 0 A T B +a 149 0A 52 144,-3.4 146,-2.1 -3,-0.4 147,-0.3 -0.578 23.7 168.2 -77.7 128.6 -0.9 36.8 74.0 5 1 A T + 0 0 75 -2,-0.3 169,-0.2 144,-0.2 2,-0.1 -0.657 16.9 173.7-140.3 73.2 1.2 37.7 70.9 6 2 A S E -B 173 0B 13 167,-0.6 167,-3.0 -2,-0.2 2,-0.3 -0.464 12.6-156.6 -80.9 153.8 4.3 35.5 71.1 7 3 A S E -B 172 0B 58 165,-0.2 2,-0.5 89,-0.2 165,-0.2 -0.986 9.5-150.9-136.3 146.9 7.1 35.2 68.4 8 4 A V E -B 171 0B 10 163,-2.3 163,-2.5 -2,-0.3 2,-0.3 -0.974 20.3-134.6-118.2 123.2 9.7 32.6 67.4 9 5 A I E -B 170 0B 117 -2,-0.5 12,-0.5 161,-0.2 161,-0.3 -0.607 25.4-149.2 -73.8 135.9 13.0 33.8 65.7 10 6 A L E -B 169 0B 3 159,-2.4 158,-0.8 -2,-0.3 159,-0.8 -0.719 6.5-133.8-109.6 160.1 14.0 31.7 62.7 11 7 A T E -G 19 0C 70 8,-2.4 8,-1.7 -2,-0.3 2,-0.7 -0.921 14.9-141.8-112.7 133.8 17.3 30.7 61.1 12 8 A N E -G 18 0C 16 -2,-0.4 2,-0.9 6,-0.2 6,-0.2 -0.879 12.0-166.2 -99.0 111.6 17.8 31.0 57.4 13 9 A Y E >> S-G 17 0C 81 4,-3.6 3,-1.9 -2,-0.7 4,-1.8 -0.875 72.5 -44.6-101.3 99.7 19.9 28.1 56.0 14 10 A M T 34 S- 0 0 108 -2,-0.9 -1,-0.1 1,-0.3 4,-0.1 0.719 100.4 -69.5 49.6 38.2 21.0 29.1 52.5 15 11 A D T 34 S+ 0 0 27 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.540 131.3 76.7 62.3 12.4 17.4 30.5 51.5 16 12 A T T <4 S+ 0 0 35 -3,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.595 88.0 46.5-122.4 -24.5 16.1 26.9 51.5 17 13 A Q E < -G 13 0C 31 -4,-1.8 -4,-3.6 208,-0.1 2,-0.5 -0.984 55.3-179.7-130.7 122.1 15.6 26.0 55.1 18 14 A Y E +G 12 0C 7 -2,-0.4 17,-0.4 -6,-0.2 2,-0.3 -0.984 19.1 163.1-121.2 115.4 13.9 28.2 57.7 19 15 A Y E -G 11 0C 21 -8,-1.7 -8,-2.4 -2,-0.5 15,-0.2 -0.986 16.7-173.0-140.7 148.0 13.8 26.7 61.2 20 16 A G E -H 33 0D 6 13,-2.2 13,-2.9 -2,-0.3 2,-0.4 -0.656 31.9 -85.9-126.0-174.0 13.2 27.8 64.8 21 17 A E E +H 32 0D 112 -12,-0.5 75,-0.4 11,-0.2 2,-0.3 -0.797 33.4 175.8-106.5 137.1 13.3 26.3 68.3 22 18 A I E -H 31 0D 0 9,-2.1 9,-2.6 -2,-0.4 2,-0.4 -0.922 20.4-139.5-126.5 155.6 10.7 24.4 70.3 23 19 A G E -HI 30 94D 1 71,-1.7 71,-2.8 -2,-0.3 2,-0.4 -0.961 14.8-166.8-118.6 131.6 11.1 22.8 73.7 24 20 A I E > -HI 29 93D 0 5,-2.4 5,-2.4 -2,-0.4 69,-0.2 -0.990 45.4 -5.0-120.8 131.9 9.6 19.4 74.6 25 21 A G T 5S- 0 0 4 67,-2.8 40,-0.1 -2,-0.4 66,-0.1 -0.127 90.3 -38.4 90.8 176.1 9.2 17.9 78.1 26 22 A T T 5S+ 0 0 62 1,-0.2 40,-2.2 2,-0.1 41,-0.2 -0.978 136.0 24.6-120.2 110.9 10.1 18.6 81.7 27 23 A P T 5S- 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.657 119.8-105.3 -71.3 161.1 12.9 19.8 81.8 28 24 A P T 5 - 0 0 83 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.351 26.8-156.3 -64.3 133.3 12.6 21.2 78.1 29 25 A Q E < -H 24 0D 36 -5,-2.4 -5,-2.4 -2,-0.1 2,-0.3 -0.946 23.8-133.9-102.7 119.2 14.6 19.3 75.4 30 26 A T E -H 23 0D 75 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.629 24.7-177.5 -89.2 142.3 15.2 21.8 72.5 31 27 A F E -H 22 0D 5 -9,-2.6 -9,-2.1 -2,-0.3 2,-0.5 -0.983 27.8-129.6-135.0 147.2 14.7 21.1 68.8 32 28 A K E +H 21 0D 90 -2,-0.3 89,-2.7 -11,-0.2 90,-1.8 -0.844 43.2 178.7 -91.4 122.5 15.3 23.0 65.6 33 29 A V E -Hj 20 122D 0 -13,-2.9 -13,-2.2 -2,-0.5 2,-0.4 -0.950 33.1-127.4-130.2 157.1 12.0 22.6 63.6 34 30 A V E - j 0 123D 17 88,-1.9 90,-3.1 -2,-0.3 2,-0.8 -0.843 23.2-139.9 -96.7 133.0 10.4 23.7 60.3 35 31 A F E - j 0 124D 3 -2,-0.4 2,-0.6 -17,-0.4 90,-0.2 -0.888 29.0-168.2 -97.8 106.5 6.9 25.4 60.8 36 32 A D E > - j 0 125D 14 88,-2.5 90,-2.7 -2,-0.8 3,-1.1 -0.896 32.0-175.6-112.3 112.6 5.0 23.9 57.9 37 33 A T T 3 S+ 0 0 4 -2,-0.6 159,-0.5 89,-0.2 91,-0.2 0.625 88.5 68.1 -76.3 -11.6 1.5 25.1 56.7 38 34 A G T 3 S+ 0 0 27 89,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.643 105.4 37.5 -77.8 -21.6 1.7 22.2 54.2 39 35 A S < - 0 0 14 -3,-1.1 88,-2.9 85,-0.1 87,-0.3 -0.841 60.0-152.8-130.6 167.1 1.4 19.5 57.0 40 36 A S + 0 0 2 91,-0.5 2,-0.3 -2,-0.3 92,-0.2 0.276 63.0 91.9-126.7 9.4 -0.5 19.1 60.4 41 37 A N - 0 0 9 90,-0.1 84,-0.6 97,-0.1 2,-0.4 -0.825 61.4-139.6-110.0 146.8 1.6 16.8 62.5 42 38 A V E +K 124 0D 4 61,-0.4 63,-2.8 -2,-0.3 2,-0.3 -0.878 32.7 166.1 -97.0 135.0 4.4 17.6 65.1 43 39 A W E +Kl 123 105D 1 80,-2.4 80,-1.9 -2,-0.4 63,-0.2 -0.975 15.3 171.9-152.4 140.6 7.4 15.2 64.9 44 40 A V E - l 0 106D 0 61,-2.1 63,-2.4 -2,-0.3 78,-0.1 -0.944 46.2 -86.4-136.4 153.9 11.0 15.1 66.3 45 41 A P E - l 0 107D 0 0, 0.0 15,-3.0 0, 0.0 2,-0.2 -0.322 45.3-130.8 -62.4 146.7 13.6 12.2 66.2 46 42 A S B > -o 60 0E 0 61,-3.2 3,-1.4 13,-0.3 15,-0.2 -0.669 13.8-128.2 -98.1 153.3 13.4 9.7 69.1 47 43 A S T 3 S+ 0 0 37 13,-2.5 14,-0.1 1,-0.3 -1,-0.1 0.787 113.0 67.3 -66.6 -24.6 16.2 8.4 71.3 48 44 A K T 3 S+ 0 0 112 12,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.230 73.4 126.3 -76.9 9.9 14.7 5.0 70.3 49 45 A a < 0 0 17 -3,-1.4 60,-0.1 58,-0.1 59,-0.1 -0.672 360.0 360.0 -79.7 118.6 15.9 5.7 66.7 50 46 A S 0 0 132 58,-0.7 4,-0.2 -2,-0.5 -1,-0.1 -0.354 360.0 360.0 -55.5 360.0 18.1 2.8 65.5 51 ! 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 52 48 A T 0 0 101 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -48.6 20.7 6.7 59.4 53 49 A A > + 0 0 0 57,-2.3 3,-1.7 1,-0.2 4,-0.2 0.685 360.0 85.4 -86.9 -19.6 20.1 10.4 59.7 54 50 A a G > S+ 0 0 8 56,-0.5 3,-1.3 1,-0.3 -1,-0.2 0.741 78.1 65.9 -51.3 -29.9 19.4 10.2 63.5 55 51 A V G 3 S+ 0 0 122 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.772 102.5 48.1 -63.5 -32.4 23.2 10.4 64.3 56 52 A Y G < S+ 0 0 121 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.3 0.377 107.6 68.8 -92.1 0.6 23.3 13.9 63.0 57 53 A H S < S- 0 0 17 -3,-1.3 2,-0.2 -4,-0.2 64,-0.1 -0.851 85.6-100.4-126.3 158.9 20.2 15.2 65.0 58 54 A K - 0 0 129 -2,-0.3 2,-0.4 -26,-0.1 -2,-0.1 -0.531 43.0-145.8 -72.1 136.0 19.0 15.9 68.5 59 55 A L - 0 0 63 -2,-0.2 2,-0.6 -15,-0.1 -13,-0.3 -0.909 9.2-123.6-113.7 137.0 16.9 13.0 69.9 60 56 A F B -o 46 0E 0 -15,-3.0 -13,-2.5 -2,-0.4 2,-0.7 -0.672 21.2-162.1 -78.6 120.8 13.9 13.2 72.2 61 57 A D > - 0 0 45 -2,-0.6 3,-1.8 -15,-0.2 -15,-0.0 -0.885 7.7-170.3-107.6 100.7 14.5 11.0 75.3 62 58 A A G > S+ 0 0 5 -2,-0.7 3,-1.7 1,-0.3 6,-0.3 0.763 84.4 66.8 -56.5 -31.6 11.1 10.4 77.0 63 59 A S G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.561 96.4 55.0 -71.5 -7.9 12.9 8.9 80.0 64 60 A D G < S+ 0 0 97 -3,-1.8 2,-0.5 -37,-0.0 -1,-0.3 0.279 95.3 86.2-105.8 10.1 14.3 12.4 80.8 65 61 A S < - 0 0 13 -3,-1.7 3,-0.4 1,-0.1 -40,-0.1 -0.944 50.8-173.0-121.7 122.3 10.7 13.9 80.9 66 62 A S S S+ 0 0 99 -40,-2.2 -1,-0.1 -2,-0.5 -4,-0.0 0.716 90.3 53.2 -79.7 -23.0 8.5 13.9 83.9 67 63 A S S S+ 0 0 16 -41,-0.2 -1,-0.2 25,-0.1 -42,-0.1 0.500 81.5 121.2 -90.5 -8.9 5.5 15.3 82.0 68 64 A Y - 0 0 53 -3,-0.4 2,-0.4 -6,-0.3 23,-0.2 -0.285 42.8-166.0 -59.3 138.2 5.6 12.5 79.3 69 65 A K E -M 90 0D 117 21,-2.3 21,-1.8 -2,-0.0 -2,-0.0 -0.999 21.5-125.3-128.2 120.6 2.5 10.3 78.8 70 66 A H E +M 89 0D 141 -2,-0.4 19,-0.1 19,-0.2 21,-0.0 -0.252 43.0 149.0 -63.9 149.2 2.9 7.1 76.8 71 67 A N E - 0 0 66 17,-0.6 18,-0.2 2,-0.0 -1,-0.1 0.251 21.7-169.4-142.6 -65.9 0.7 6.3 73.7 72 68 A G E + 0 0 29 16,-2.8 2,-0.2 1,-0.3 17,-0.1 0.432 21.6 158.2 84.5 1.5 2.7 4.3 71.2 73 69 A T E - 0 0 80 14,-0.1 15,-2.1 15,-0.1 -1,-0.3 -0.434 45.9-118.9 -60.7 121.2 0.3 4.4 68.2 74 70 A E E -M 87 0D 176 13,-0.2 2,-0.3 -2,-0.2 13,-0.3 -0.314 37.7-174.9 -63.6 146.2 2.5 3.7 65.1 75 71 A L E -M 86 0D 14 11,-3.0 11,-2.5 -3,-0.1 2,-0.4 -0.995 20.3-160.1-150.9 139.1 2.6 6.5 62.6 76 72 A T E -M 85 0D 40 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.996 7.6-164.3-126.4 122.9 4.0 7.1 59.1 77 73 A L E -M 84 0D 4 7,-2.5 7,-2.4 -2,-0.4 2,-0.4 -0.935 8.1-164.6-113.2 104.4 4.5 10.7 57.8 78 74 A R E -M 83 0D 176 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.796 10.0-177.7 -92.9 127.5 5.0 10.9 54.0 79 75 A Y - 0 0 46 3,-2.4 -40,-0.0 -2,-0.4 -2,-0.0 -0.855 42.4-109.3-123.4 161.9 6.3 14.1 52.5 80 76 A S S S+ 0 0 48 -2,-0.3 3,-0.1 1,-0.2 219,-0.1 0.604 123.5 36.5 -61.8 -15.3 7.1 15.4 48.9 81 77 A T S S- 0 0 111 1,-0.4 2,-0.3 504,-0.0 -1,-0.2 0.792 130.6 -29.9-106.5 -43.2 10.8 15.1 50.0 82 78 A G - 0 0 11 32,-0.1 -3,-2.4 -5,-0.0 -1,-0.4 -0.940 54.8-105.6-165.4 179.3 10.9 12.0 52.2 83 79 A T E -M 78 0D 60 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.946 22.7-170.4-123.9 141.7 9.1 9.7 54.6 84 80 A V E -M 77 0D 1 -7,-2.4 -7,-2.5 -2,-0.4 2,-0.3 -0.903 4.2-166.6-124.7 156.7 9.5 9.3 58.4 85 81 A S E +MN 76 109D 19 24,-1.4 23,-2.2 -2,-0.3 24,-2.2 -0.985 26.5 112.2-142.3 153.2 8.0 6.7 60.7 86 82 A G E -MN 75 107D 8 -11,-2.5 -11,-3.0 -2,-0.3 2,-0.3 -0.912 54.2 -76.5 177.7-152.2 7.7 6.3 64.4 87 83 A F E -MN 74 106D 33 19,-1.7 19,-3.0 -2,-0.3 -13,-0.2 -0.888 41.7 -98.1-133.8 162.7 5.0 6.2 67.2 88 84 A L E + N 0 105D 12 -15,-2.1 -16,-2.8 -2,-0.3 -17,-0.6 -0.474 38.9 169.1 -82.8 149.9 2.9 8.8 69.0 89 85 A S E -MN 70 104D 0 15,-2.4 15,-2.6 -18,-0.2 2,-0.4 -0.936 22.9-134.4-151.0 163.2 3.8 10.3 72.4 90 86 A Q E +MN 69 103D 59 -21,-1.8 -21,-2.3 -2,-0.3 2,-0.3 -0.979 36.2 133.1-129.2 141.0 2.4 13.1 74.5 91 87 A D E - N 0 102D 0 11,-1.7 11,-2.9 -2,-0.4 2,-0.3 -0.953 57.1 -71.2-165.8 175.7 4.3 15.8 76.4 92 88 A I E - 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