==== 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/HYDROLASE INHIBITOR 31-MAR-09 3GW5 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WU,B.M.MCKEEVER . 669 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 71.3 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 . 205 30.6 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 . 79 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 7 0 0 1 1 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 6 5 7 8 5 0 1 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 2 1 1 1 0 2 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 4 A G 0 0 76 0, 0.0 149,-0.1 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0-166.2 23.5 17.2 8.4 2 5 A N + 0 0 85 147,-0.3 2,-0.3 150,-0.0 148,-0.2 0.112 360.0 127.8-133.2 18.7 22.7 18.8 5.0 3 6 A T B +a 150 0A 62 146,-2.3 148,-2.3 2,-0.0 149,-0.4 -0.583 27.9 174.3 -89.0 139.3 25.2 17.0 2.8 4 7 A T - 0 0 59 -2,-0.3 2,-0.3 146,-0.2 172,-0.2 -0.861 13.7-165.1-137.9 108.7 24.6 15.2 -0.5 5 8 A S E -B 175 0B 13 170,-1.2 170,-3.4 -2,-0.3 2,-0.4 -0.688 5.1-152.6 -91.2 144.0 27.6 14.0 -2.4 6 9 A S E -B 174 0B 62 -2,-0.3 2,-0.5 168,-0.2 168,-0.2 -0.894 2.6-158.4-112.7 146.3 27.4 12.9 -6.0 7 10 A V E -B 173 0B 9 166,-2.9 166,-2.3 -2,-0.4 2,-0.2 -0.983 16.4-133.7-125.7 123.9 29.7 10.4 -7.8 8 11 A I E -B 172 0B 116 -2,-0.5 12,-0.4 164,-0.2 2,-0.4 -0.520 23.6-152.8 -72.6 135.4 30.1 10.3 -11.5 9 12 A L E -B 171 0B 3 162,-3.0 162,-0.8 -2,-0.2 161,-0.5 -0.883 8.2-132.2-114.4 143.2 29.9 6.8 -13.0 10 13 A T E -G 18 0C 68 8,-3.8 8,-1.8 -2,-0.4 2,-0.6 -0.754 15.2-149.4 -90.6 138.7 31.4 5.5 -16.2 11 14 A N E -G 17 0C 15 -2,-0.4 2,-0.8 6,-0.2 6,-0.2 -0.935 8.6-166.5-111.2 111.9 29.2 3.6 -18.6 12 15 A Y E >> S-G 16 0C 80 4,-2.9 3,-2.2 -2,-0.6 4,-2.0 -0.864 72.6 -38.3-101.7 105.3 30.9 0.9 -20.6 13 16 A M T 34 S- 0 0 112 -2,-0.8 -1,-0.2 1,-0.3 4,-0.1 0.722 101.5 -75.4 56.8 26.0 28.7 -0.4 -23.4 14 17 A D T 34 S+ 0 0 32 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.716 128.1 81.5 60.7 19.5 25.6 -0.2 -21.3 15 18 A T T <4 S+ 0 0 31 -3,-2.2 2,-0.5 1,-0.3 -2,-0.2 0.622 85.5 45.6-122.9 -29.8 26.7 -3.3 -19.5 16 19 A Q E < -G 12 0C 34 -4,-2.0 -4,-2.9 211,-0.0 2,-0.5 -0.964 59.7-178.5-120.9 122.0 29.3 -2.2 -16.9 17 20 A Y E +G 11 0C 10 -2,-0.5 17,-0.3 -6,-0.2 2,-0.3 -0.970 18.1 148.0-117.0 127.2 28.7 0.9 -14.6 18 21 A Y E -G 10 0C 16 -8,-1.8 -8,-3.8 -2,-0.5 15,-0.2 -0.981 22.7-163.5-152.4 161.4 31.3 2.0 -12.1 19 22 A G E -H 32 0D 4 13,-2.4 13,-2.0 -2,-0.3 2,-0.4 -0.458 28.5 -90.1-128.8-157.6 32.8 5.0 -10.4 20 23 A E E +H 31 0D 114 -12,-0.4 77,-0.4 11,-0.2 2,-0.3 -0.959 29.4 179.2-130.5 138.9 35.9 6.0 -8.5 21 24 A I E -H 30 0D 3 9,-2.2 9,-2.6 -2,-0.4 2,-0.5 -0.917 21.7-131.8-128.8 162.5 36.9 5.9 -4.8 22 25 A G E -HI 29 95D 5 73,-2.3 73,-2.8 -2,-0.3 2,-0.5 -0.961 18.8-167.1-118.2 131.2 40.1 6.9 -3.1 23 26 A I E > -HI 28 94D 0 5,-3.2 5,-3.2 -2,-0.5 71,-0.2 -0.964 45.7 -4.8-120.5 130.2 41.8 4.7 -0.5 24 27 A G T 5S- 0 0 7 69,-2.5 42,-0.1 -2,-0.5 71,-0.1 -0.280 90.5 -40.1 98.7-179.3 44.6 5.6 1.9 25 28 A T T 5S+ 0 0 58 1,-0.3 42,-2.2 2,-0.1 43,-0.3 -0.962 136.2 24.7-132.5 117.3 46.8 8.7 2.5 26 29 A P T 5S- 0 0 95 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.668 121.3-103.9 -68.6 165.5 47.7 9.9 0.1 27 30 A P T 5 - 0 0 85 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.321 26.0-155.2 -65.1 129.1 44.6 8.5 -1.8 28 31 A Q E < -H 23 0D 30 -5,-3.2 -5,-3.2 -2,-0.1 2,-0.3 -0.920 23.6-133.8 -98.4 127.1 45.1 5.5 -4.1 29 32 A T E -H 22 0D 53 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.621 25.2-178.6 -90.2 138.8 42.3 5.6 -6.7 30 33 A F E -H 21 0D 1 -9,-2.6 -9,-2.2 -2,-0.3 2,-0.6 -0.985 27.5-131.6-132.7 145.5 40.2 2.6 -7.7 31 34 A K E +H 20 0D 95 -2,-0.4 91,-3.4 -11,-0.2 92,-2.1 -0.862 42.3 173.2 -86.9 124.1 37.4 2.0 -10.2 32 35 A V E -Hj 19 123D 0 -13,-2.0 -13,-2.4 -2,-0.6 2,-0.4 -0.952 34.7-121.3-136.1 151.8 34.7 0.1 -8.4 33 36 A V E - j 0 124D 18 90,-2.2 92,-3.8 -2,-0.3 2,-0.8 -0.781 21.7-140.5 -86.1 132.5 31.2 -1.2 -8.8 34 37 A F E - j 0 125D 3 -2,-0.4 2,-0.6 -17,-0.3 92,-0.2 -0.859 29.7-170.9 -95.8 107.8 28.6 0.2 -6.4 35 38 A D E > - j 0 126D 18 90,-1.9 92,-2.9 -2,-0.8 3,-1.3 -0.871 29.4-174.6-119.6 107.6 26.6 -2.9 -5.7 36 39 A T T 3 S+ 0 0 0 -2,-0.6 162,-0.5 1,-0.3 93,-0.2 0.641 86.5 67.7 -73.8 -12.0 23.3 -3.0 -3.8 37 40 A G T 3 S+ 0 0 22 91,-0.1 2,-0.3 160,-0.1 -1,-0.3 0.509 106.5 37.1 -85.4 -3.7 23.3 -6.8 -4.1 38 41 A S < - 0 0 14 -3,-1.3 90,-2.9 87,-0.1 89,-0.3 -0.908 61.3-151.6-143.9 174.0 26.3 -7.2 -1.8 39 42 A S + 0 0 3 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.361 59.3 94.0-134.5 0.1 27.8 -5.5 1.2 40 43 A N - 0 0 8 92,-0.1 86,-1.4 99,-0.1 2,-0.4 -0.774 57.1-142.2-100.9 147.3 31.5 -5.9 1.3 41 44 A V E +K 125 0D 4 63,-0.4 65,-3.2 -2,-0.3 2,-0.3 -0.896 33.5 155.6 -98.3 134.3 34.2 -3.4 0.1 42 45 A W E -Kl 124 106D 0 82,-2.1 82,-1.7 -2,-0.4 65,-0.2 -0.991 19.8-179.3-155.1 151.0 37.2 -4.8 -1.7 43 46 A V E - l 0 107D 0 63,-2.3 65,-2.6 -2,-0.3 80,-0.1 -0.971 45.1 -81.9-140.4 160.6 40.0 -4.0 -4.1 44 47 A P E - l 0 108D 0 0, 0.0 17,-2.6 0, 0.0 2,-0.2 -0.347 48.6-132.4 -62.9 141.9 43.0 -5.9 -5.5 45 48 A S B > -o 61 0E 0 63,-3.0 3,-1.8 15,-0.3 17,-0.2 -0.638 14.1-127.3 -96.9 150.4 46.0 -6.0 -3.2 46 49 A S T 3 S+ 0 0 45 15,-2.7 16,-0.1 1,-0.3 -1,-0.1 0.675 113.4 63.5 -63.0 -16.6 49.7 -5.3 -4.0 47 50 A K T 3 S+ 0 0 135 14,-0.3 2,-0.4 61,-0.1 -1,-0.3 0.445 76.0 111.4 -89.3 0.1 50.2 -8.7 -2.4 48 51 A a S < S- 0 0 5 -3,-1.8 62,-0.1 60,-0.2 61,-0.1 -0.626 77.0-114.8 -72.7 127.4 48.2 -10.4 -5.1 49 52 A S > - 0 0 60 60,-0.7 3,-2.7 -2,-0.4 6,-0.3 -0.356 7.3-130.6 -66.0 138.2 50.5 -12.6 -7.1 50 53 A R T 3 S+ 0 0 171 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.541 102.1 87.2 -63.2 -5.3 51.0 -11.7 -10.8 51 54 A L T 3 S+ 0 0 152 1,-0.1 2,-0.8 4,-0.1 -1,-0.3 0.790 79.0 70.8 -61.3 -28.7 50.2 -15.4 -11.2 52 55 A Y S X S- 0 0 76 -3,-2.7 3,-1.3 1,-0.2 4,-0.4 -0.848 77.8-158.6 -88.5 112.8 46.7 -14.0 -11.2 53 56 A T G >> S+ 0 0 27 -2,-0.8 4,-1.9 1,-0.3 3,-1.4 0.826 90.3 64.4 -61.7 -32.5 46.4 -12.1 -14.5 54 57 A A G 34 S+ 0 0 0 57,-0.5 4,-0.4 1,-0.3 -1,-0.3 0.822 101.1 52.3 -61.5 -28.0 43.5 -10.1 -13.2 55 58 A a G <4 S+ 0 0 2 -3,-1.3 -1,-0.3 -6,-0.3 -2,-0.2 0.514 105.5 54.2 -88.1 -5.4 46.1 -8.6 -10.7 56 59 A V T <4 S+ 0 0 50 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.2 0.791 114.4 39.9 -82.3 -37.4 48.4 -7.7 -13.6 57 60 A Y S < S+ 0 0 100 -4,-1.9 2,-0.3 2,-0.1 -2,-0.2 0.341 109.8 64.3-101.4 7.0 45.8 -5.8 -15.4 58 61 A H S S- 0 0 25 -4,-0.4 2,-0.1 -5,-0.1 64,-0.1 -0.915 90.5 -89.9-125.6 159.4 44.0 -4.0 -12.5 59 62 A K - 0 0 94 -2,-0.3 2,-0.3 -28,-0.1 -2,-0.1 -0.392 40.5-150.5 -64.7 136.6 45.1 -1.4 -9.9 60 63 A L - 0 0 49 -2,-0.1 2,-0.5 -17,-0.1 -15,-0.3 -0.849 11.7-125.1-110.1 145.1 46.5 -2.8 -6.7 61 64 A F B -o 45 0E 0 -17,-2.6 -15,-2.7 -2,-0.3 2,-0.8 -0.793 17.6-157.7 -89.9 127.9 46.3 -1.3 -3.2 62 65 A D > - 0 0 51 -2,-0.5 3,-2.1 -17,-0.2 4,-0.2 -0.866 5.5-169.8-108.7 99.4 49.7 -0.8 -1.6 63 66 A A G > S+ 0 0 6 -2,-0.8 3,-1.9 1,-0.3 6,-0.3 0.845 83.2 64.4 -58.5 -33.6 49.2 -0.6 2.2 64 67 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.474 95.8 59.4 -76.8 1.4 52.8 0.5 2.8 65 68 A D G < S+ 0 0 97 -3,-2.1 2,-0.5 -39,-0.0 -1,-0.3 0.421 92.5 80.8-100.5 -1.8 52.1 3.7 0.8 66 69 A S X - 0 0 12 -3,-1.9 3,-0.6 -4,-0.2 -42,-0.1 -0.920 55.3-166.6-112.3 127.2 49.3 4.9 3.2 67 70 A S T 3 S+ 0 0 106 -42,-2.2 -1,-0.1 -2,-0.5 -3,-0.0 0.701 94.0 54.0 -79.5 -20.6 50.0 6.6 6.5 68 71 A S T 3 S+ 0 0 28 -43,-0.3 -1,-0.2 25,-0.1 2,-0.1 0.455 82.7 120.7 -90.4 -1.7 46.4 6.1 7.6 69 72 A Y < - 0 0 54 -3,-0.6 2,-0.4 -6,-0.3 23,-0.2 -0.395 43.8-166.7 -67.9 136.8 46.5 2.3 6.9 70 73 A K E -M 91 0D 103 21,-3.3 21,-2.2 -2,-0.1 -2,-0.0 -0.968 17.9-125.8-131.6 119.8 45.8 0.1 9.9 71 74 A H E +M 90 0D 122 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.238 41.5 148.1 -67.7 143.0 46.6 -3.6 9.8 72 75 A N E - 0 0 59 17,-0.7 18,-0.2 2,-0.1 -1,-0.1 0.441 21.9-169.8-131.3 -66.3 44.0 -6.3 10.5 73 76 A G E + 0 0 31 16,-3.0 17,-0.1 1,-0.3 2,-0.1 0.396 25.8 150.6 93.6 -4.3 44.9 -9.4 8.5 74 77 A T E - 0 0 84 15,-0.2 15,-3.0 14,-0.1 -1,-0.3 -0.399 52.8-106.2 -65.4 138.6 41.8 -11.5 9.1 75 78 A E E -M 88 0D 161 13,-0.2 2,-0.4 -2,-0.1 13,-0.3 -0.374 36.8-167.7 -69.6 140.1 41.0 -13.8 6.1 76 79 A L E -M 87 0D 11 11,-3.1 11,-2.3 31,-0.2 2,-0.4 -0.996 10.3-177.4-132.1 133.5 38.2 -12.9 3.8 77 80 A T E -M 86 0D 53 -2,-0.4 2,-0.6 9,-0.2 9,-0.2 -0.986 5.9-168.2-129.2 123.6 36.5 -15.0 1.1 78 81 A L E -M 85 0D 5 7,-3.2 7,-2.2 -2,-0.4 2,-0.8 -0.928 1.5-166.6-115.3 114.5 33.7 -13.6 -1.0 79 82 A R E +M 84 0D 128 -2,-0.6 2,-0.2 5,-0.2 5,-0.2 -0.858 10.0 176.9-102.1 108.9 31.7 -15.9 -3.2 80 83 A Y E > -M 83 0D 52 3,-1.8 3,-1.6 -2,-0.8 -42,-0.0 -0.646 46.1-105.5 -96.0 165.7 29.5 -14.3 -5.8 81 84 A S T 3 S+ 0 0 45 1,-0.3 503,-0.3 -2,-0.2 502,-0.2 0.902 121.6 49.4 -53.1 -40.7 27.5 -16.3 -8.3 82 85 A T T 3 S- 0 0 47 1,-0.3 -1,-0.3 501,-0.1 2,-0.2 0.349 127.4 -45.2 -88.5 3.4 30.0 -15.4 -11.0 83 86 A G E < -M 80 0D 15 -3,-1.6 -3,-1.8 32,-0.1 2,-0.4 -0.624 55.5 -95.0 143.0 159.6 33.1 -16.3 -9.1 84 87 A T E -M 79 0D 31 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.806 22.6-171.8-110.1 139.2 35.1 -16.1 -5.8 85 88 A V E -M 78 0D 1 -7,-2.2 -7,-3.2 -2,-0.4 2,-0.3 -0.937 8.1-173.2-121.7 155.2 37.7 -13.8 -4.5 86 89 A S E +MN 77 110D 18 24,-1.5 23,-2.4 -2,-0.3 24,-1.9 -0.943 23.5 113.2-142.4 161.1 39.8 -14.1 -1.3 87 90 A G E -MN 76 108D 11 -11,-2.3 -11,-3.1 -2,-0.3 2,-0.3 -0.912 55.6 -69.5 170.8-144.8 42.3 -12.1 0.7 88 91 A F E -MN 75 107D 35 19,-1.8 19,-3.0 -13,-0.3 -13,-0.2 -0.941 42.0 -94.7-141.3 162.1 42.4 -10.4 4.1 89 92 A L E + N 0 106D 14 -15,-3.0 -16,-3.0 -2,-0.3 -17,-0.7 -0.518 38.0 173.7 -81.7 141.2 40.9 -7.4 5.9 90 93 A S E -MN 71 105D 0 15,-2.4 15,-2.7 -2,-0.2 2,-0.4 -0.976 20.8-138.9-139.2 149.7 42.6 -4.0 6.1 91 94 A Q E +MN 70 104D 51 -21,-2.2 -21,-3.3 -2,-0.3 2,-0.3 -0.946 36.6 135.4-112.2 137.0 41.4 -0.7 7.5 92 95 A D E - 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