==== 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 09-FEB-09 3G6Z . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.BEZENCON,D.BUR,L.PRADE,T.WELLER,C.BOSS,W.FISCHLI . 671 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 69.3 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 . 206 30.7 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 . 9 1.3 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 . 75 11.2 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 . 49 7.3 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 3 1 0 1 0 1 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 . 3 7 7 6 6 5 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 . 1 2 2 2 2 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 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 L 0 0 230 0, 0.0 2,-0.3 0, 0.0 151,-0.1 0.000 360.0 360.0 360.0 140.0 -28.3 -9.6 -38.3 2 2 A T - 0 0 48 149,-0.1 151,-0.1 151,-0.0 150,-0.0 -0.906 360.0-150.9-125.1 154.8 -24.8 -10.2 -39.6 3 3 A L - 0 0 174 -2,-0.3 149,-0.1 149,-0.1 -1,-0.0 0.014 61.4 -96.8-108.4 20.5 -23.3 -10.5 -43.1 4 4 A G S S+ 0 0 49 148,-0.2 149,-0.1 147,-0.1 148,-0.0 0.703 106.1 84.9 78.6 23.9 -20.6 -12.9 -41.8 5 5 A N + 0 0 113 147,-0.1 2,-0.4 2,-0.0 148,-0.1 0.045 55.7 126.5-142.1 29.2 -17.7 -10.5 -41.3 6 6 A T + 0 0 73 146,-0.5 148,-3.0 2,-0.0 2,-0.3 -0.766 23.4 161.7 -98.6 131.9 -18.2 -9.0 -37.8 7 7 A T - 0 0 70 -2,-0.4 2,-0.3 146,-0.2 169,-0.2 -0.839 17.5-153.8-126.6 177.3 -15.7 -9.0 -34.9 8 8 A S E -A 175 0A 20 167,-1.8 167,-3.7 -2,-0.3 2,-0.3 -0.994 5.4-151.1-150.4 154.5 -15.3 -7.1 -31.7 9 9 A S E -A 174 0A 55 -2,-0.3 2,-0.4 165,-0.2 165,-0.2 -0.867 6.5-152.6-128.0 156.2 -12.4 -6.1 -29.5 10 10 A V E -A 173 0A 10 163,-2.5 163,-2.6 -2,-0.3 2,-0.3 -0.996 20.5-137.0-127.6 126.4 -11.7 -5.3 -25.8 11 11 A I E -A 172 0A 101 -2,-0.4 12,-0.4 161,-0.2 2,-0.3 -0.663 21.8-150.3 -88.4 134.5 -8.9 -2.9 -24.8 12 12 A L E -A 171 0A 4 159,-2.7 159,-1.0 -2,-0.3 158,-0.8 -0.802 7.9-140.6-108.7 147.8 -6.7 -4.1 -21.9 13 13 A T E -F 21 0B 21 8,-2.9 8,-2.2 -2,-0.3 2,-0.6 -0.904 18.4-138.5 -98.5 136.3 -4.8 -2.2 -19.2 14 14 A N E -F 20 0B 4 -2,-0.4 2,-0.7 6,-0.2 6,-0.2 -0.862 15.8-169.6 -95.3 111.2 -1.4 -3.6 -18.2 15 15 A Y E >> S-F 19 0B 10 4,-3.1 3,-2.1 -2,-0.6 4,-2.1 -0.899 71.7 -38.0-104.3 108.1 -0.6 -3.4 -14.5 16 16 A M T 34 S- 0 0 39 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.555 98.5 -77.5 60.9 18.3 3.0 -4.3 -13.7 17 17 A D T 34 S+ 0 0 25 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.571 128.7 81.5 68.0 10.1 3.3 -7.0 -16.4 18 18 A T T <4 S+ 0 0 27 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.627 88.9 37.6-118.9 -23.0 1.4 -9.2 -14.0 19 19 A Q E < -F 15 0B 33 -4,-2.1 -4,-3.1 208,-0.1 2,-0.6 -0.970 57.6-175.1-140.0 121.8 -2.3 -8.2 -14.4 20 20 A Y E +F 14 0B 6 -2,-0.4 17,-0.6 -6,-0.2 2,-0.3 -0.944 18.8 175.7-122.6 114.4 -4.1 -7.3 -17.7 21 21 A Y E -FG 13 36B 2 -8,-2.2 -8,-2.9 -2,-0.6 15,-0.2 -0.902 19.5-167.8-131.8 151.8 -7.7 -6.2 -17.4 22 22 A G E - G 0 35B 2 13,-2.7 13,-3.0 -2,-0.3 2,-0.4 -0.657 29.4-108.0-118.1 176.6 -10.6 -4.9 -19.4 23 23 A E E + G 0 34B 93 -12,-0.4 77,-0.4 11,-0.2 2,-0.3 -0.891 31.9 177.8-111.5 140.8 -13.9 -3.3 -18.4 24 24 A I E - G 0 33B 6 9,-2.1 9,-2.5 -2,-0.4 2,-0.4 -0.944 23.1-127.7-130.5 156.8 -17.3 -5.0 -18.7 25 25 A G E -HG 98 32B 8 73,-2.2 73,-2.3 -2,-0.3 2,-0.5 -0.873 16.1-162.0-104.8 139.1 -20.8 -3.8 -17.7 26 26 A I E > -HG 97 31B 0 5,-2.4 5,-1.8 -2,-0.4 71,-0.2 -0.981 50.1 -17.6-121.5 120.9 -23.3 -5.8 -15.6 27 27 A G T 5S- 0 0 4 69,-2.8 42,-0.1 -2,-0.5 68,-0.1 -0.282 91.3 -31.3 95.5-171.2 -27.0 -5.0 -15.4 28 28 A T T 5S+ 0 0 58 1,-0.3 42,-3.0 2,-0.1 43,-0.3 -0.953 134.6 24.5-134.8 109.2 -29.4 -2.2 -16.3 29 29 A P T 5S- 0 0 88 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.559 119.9-102.5 -79.0 158.0 -28.2 0.4 -16.0 30 30 A P T 5 - 0 0 91 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.145 27.5-157.2 -52.2 129.4 -24.6 -1.0 -16.5 31 31 A Q E < -G 26 0B 19 -5,-1.8 -5,-2.4 2,-0.0 2,-0.2 -0.973 24.5-133.1-101.2 121.6 -22.5 -1.4 -13.4 32 32 A T E -G 25 0B 62 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.523 25.2-178.5 -85.3 136.5 -18.8 -1.4 -14.5 33 33 A F E -G 24 0B 1 -9,-2.5 -9,-2.1 -2,-0.2 2,-0.5 -0.991 27.1-132.3-131.2 142.0 -16.1 -3.9 -13.5 34 34 A K E -G 23 0B 23 -2,-0.4 91,-2.9 -11,-0.2 92,-1.5 -0.830 40.6-178.6 -81.0 124.4 -12.4 -4.3 -14.2 35 35 A V E -Gi 22 126B 0 -13,-3.0 -13,-2.7 -2,-0.5 2,-0.4 -0.976 30.5-134.0-132.5 146.6 -11.9 -7.9 -15.1 36 36 A V E -Gi 21 127B 12 90,-1.8 92,-2.4 -2,-0.3 2,-0.7 -0.824 24.1-136.9 -88.3 132.1 -9.1 -10.3 -16.1 37 37 A F E - i 0 128B 8 -17,-0.6 2,-0.5 -2,-0.4 92,-0.2 -0.869 28.7-167.4 -96.4 113.7 -10.0 -12.5 -19.0 38 38 A D E > - i 0 129B 21 90,-1.9 92,-3.0 -2,-0.7 3,-1.0 -0.897 28.9-171.6-123.6 112.0 -8.7 -16.0 -18.0 39 39 A T T 3 S+ 0 0 3 -2,-0.5 159,-0.5 1,-0.2 93,-0.2 0.550 87.2 67.2 -77.2 -11.0 -8.3 -19.1 -20.3 40 40 A G T 3 S+ 0 0 26 91,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.175 105.3 38.6 -93.5 16.0 -7.5 -21.3 -17.2 41 41 A S < - 0 0 31 -3,-1.0 90,-2.3 87,-0.1 89,-0.5 -0.967 59.8-152.9-156.3 167.1 -11.0 -21.0 -15.8 42 42 A S + 0 0 3 93,-0.4 2,-0.3 -2,-0.3 94,-0.1 0.168 61.2 90.5-133.1 13.0 -14.7 -20.9 -17.0 43 43 A N - 0 0 13 99,-0.1 86,-1.0 92,-0.1 2,-0.5 -0.900 65.0-131.0-115.5 147.7 -16.7 -18.9 -14.5 44 44 A V E -J 128 0B 4 -2,-0.3 65,-3.4 63,-0.3 2,-0.4 -0.871 32.2-176.7 -90.0 121.8 -17.6 -15.2 -14.3 45 45 A W E +Jk 127 109B 25 82,-2.5 82,-1.8 -2,-0.5 65,-0.2 -0.970 12.6 163.0-121.6 136.1 -17.0 -13.9 -10.8 46 46 A V E - k 0 110B 2 63,-2.4 65,-2.7 -2,-0.4 2,-0.2 -0.982 43.2 -98.9-141.0 155.4 -17.6 -10.5 -9.3 47 47 A P E - k 0 111B 4 0, 0.0 17,-2.9 0, 0.0 2,-0.2 -0.482 39.4-132.1 -74.5 140.8 -17.8 -9.3 -5.6 48 48 A S B > -n 64 0C 0 63,-2.7 3,-1.6 15,-0.2 17,-0.2 -0.606 13.2-126.9 -90.7 150.5 -21.3 -9.0 -4.2 49 49 A S T 3 S+ 0 0 44 15,-1.8 16,-0.1 1,-0.3 -1,-0.1 0.704 111.0 66.9 -63.5 -19.9 -22.8 -6.1 -2.3 50 50 A K T 3 S+ 0 0 127 14,-0.2 2,-0.4 61,-0.1 -1,-0.3 0.269 74.3 115.1 -86.2 8.9 -23.7 -8.7 0.3 51 51 A a S < S- 0 0 10 -3,-1.6 2,-0.2 60,-0.2 62,-0.1 -0.685 75.5-113.2 -76.9 133.5 -20.0 -9.3 1.0 52 52 A S > - 0 0 53 60,-0.6 3,-3.0 -2,-0.4 6,-0.3 -0.494 8.5-129.0 -75.7 135.1 -19.2 -8.2 4.6 53 53 A R T 3 S+ 0 0 183 1,-0.3 -1,-0.1 -2,-0.2 6,-0.1 0.431 106.7 76.6 -61.3 2.0 -17.0 -5.2 5.2 54 54 A L T 3 S+ 0 0 158 1,-0.1 2,-0.7 4,-0.0 -1,-0.3 0.435 77.7 81.8 -87.2 -5.1 -15.1 -7.7 7.4 55 55 A Y S X> S- 0 0 73 -3,-3.0 4,-1.5 1,-0.1 3,-1.5 -0.917 71.6-159.6 -99.3 109.3 -13.7 -9.2 4.2 56 56 A T H 3> S+ 0 0 35 -2,-0.7 4,-0.9 1,-0.3 -1,-0.1 0.741 88.0 61.1 -66.1 -23.4 -10.8 -6.9 3.3 57 57 A A H 34 S+ 0 0 0 57,-0.4 -1,-0.3 1,-0.2 -4,-0.1 0.719 108.3 44.0 -73.4 -21.8 -10.8 -8.0 -0.3 58 58 A a H X4 S+ 0 0 2 -3,-1.5 3,-1.4 -6,-0.3 -2,-0.2 0.807 100.7 68.7 -89.4 -35.4 -14.4 -6.7 -0.7 59 59 A V H 3< S+ 0 0 25 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.832 106.3 37.9 -54.2 -39.8 -13.9 -3.4 1.1 60 60 A Y T 3< S+ 0 0 83 -4,-0.9 2,-0.3 2,-0.1 -1,-0.3 0.081 106.5 72.0-108.9 23.2 -11.6 -1.9 -1.6 61 61 A H S < S- 0 0 27 -3,-1.4 2,-0.1 64,-0.0 64,-0.1 -0.930 90.2 -85.3-131.0 158.8 -13.2 -3.2 -4.8 62 62 A K - 0 0 91 -2,-0.3 2,-0.3 -28,-0.1 -2,-0.1 -0.380 44.2-152.0 -55.3 133.2 -16.4 -2.5 -6.8 63 63 A L - 0 0 46 -17,-0.1 2,-0.6 -2,-0.1 -15,-0.2 -0.891 15.5-118.4-111.8 144.5 -19.4 -4.5 -5.5 64 64 A F B -n 48 0C 0 -17,-2.9 -15,-1.8 -2,-0.3 2,-1.0 -0.727 21.4-156.0 -85.8 119.2 -22.4 -5.7 -7.7 65 65 A D > - 0 0 52 -2,-0.6 3,-1.6 1,-0.2 4,-0.3 -0.775 9.2-173.9 -99.2 95.6 -25.6 -4.2 -6.4 66 66 A A G > S+ 0 0 6 -2,-1.0 3,-1.7 1,-0.3 6,-0.3 0.854 80.1 64.0 -55.1 -38.4 -28.4 -6.5 -7.6 67 67 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.713 98.8 56.3 -63.3 -17.5 -31.2 -4.1 -6.3 68 68 A D G < S+ 0 0 91 -3,-1.6 2,-0.6 -39,-0.0 -1,-0.3 0.448 88.9 85.4 -94.2 -3.1 -30.1 -1.4 -8.8 69 69 A S X - 0 0 10 -3,-1.7 3,-0.9 -4,-0.3 -42,-0.1 -0.894 57.4-163.3-102.0 117.9 -30.4 -3.6 -12.0 70 70 A S T 3 S+ 0 0 106 -42,-3.0 -1,-0.1 -2,-0.6 -4,-0.0 0.714 93.6 50.7 -65.9 -18.1 -33.9 -3.7 -13.6 71 71 A S T 3 S+ 0 0 23 -43,-0.3 -1,-0.2 25,-0.1 -44,-0.1 0.434 80.6 119.5-103.0 -3.8 -32.7 -6.8 -15.5 72 72 A Y < - 0 0 46 -3,-0.9 2,-0.4 -6,-0.3 23,-0.2 -0.316 44.0-163.5 -59.5 143.0 -31.3 -8.9 -12.6 73 73 A K E -L 94 0B 135 21,-2.4 21,-1.3 -2,-0.0 -2,-0.0 -0.971 19.3-120.9-137.3 121.0 -32.9 -12.3 -12.0 74 74 A H E +L 93 0B 142 -2,-0.4 19,-0.1 19,-0.2 21,-0.0 -0.245 41.8 151.4 -62.8 139.8 -32.5 -14.2 -8.7 75 75 A N E - 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