==== 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 4GJC . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,F.ZINK,M.KROEMER . 674 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 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 . 62 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.3 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 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 . 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 6 4 8 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 . 2 2 2 0 4 0 2 0 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 -5 A L 0 0 144 0, 0.0 2,-0.4 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 126.5 41.5 7.6 36.2 2 -4 A T - 0 0 94 146,-0.4 2,-0.4 0, 0.0 149,-0.3 -0.934 360.0-160.2-118.0 137.3 40.3 11.3 36.0 3 -3 A L + 0 0 68 -2,-0.4 151,-0.2 148,-0.1 149,-0.1 -0.939 11.5 174.4-118.9 141.0 42.1 14.2 34.2 4 -2 A G - 0 0 35 149,-2.9 149,-0.2 -2,-0.4 148,-0.2 0.009 42.9-101.2-112.6-138.8 41.6 17.9 34.8 5 -1 A N S S+ 0 0 117 147,-0.8 149,-0.3 -2,-0.1 148,-0.2 0.509 74.2 120.6-128.1 -20.8 43.4 20.9 33.3 6 0 A T B -a 153 0A 70 146,-1.4 148,-2.0 147,-0.1 2,-0.4 -0.182 35.6-175.5 -54.1 128.3 45.9 21.8 36.2 7 1 A T - 0 0 85 146,-0.2 2,-0.4 147,-0.1 170,-0.2 -0.976 12.3-169.6-118.6 135.0 49.7 21.9 35.7 8 2 A S E -B 176 0B 13 168,-2.6 168,-3.7 -2,-0.4 2,-0.3 -0.958 3.4-156.7-127.2 147.1 51.6 22.5 38.9 9 3 A S E -B 175 0B 53 -2,-0.4 2,-0.5 91,-0.3 166,-0.2 -0.947 9.0-155.0-129.9 147.0 55.3 23.3 39.3 10 4 A V E -B 174 0B 8 164,-2.7 164,-2.4 -2,-0.3 2,-0.3 -0.992 19.5-138.1-119.7 120.7 57.9 23.0 42.0 11 5 A I E -B 173 0B 100 -2,-0.5 12,-0.4 162,-0.2 2,-0.3 -0.643 23.4-151.8 -75.6 132.2 61.0 25.3 41.9 12 6 A L E -B 172 0B 3 160,-2.4 160,-1.0 -2,-0.3 159,-1.0 -0.799 8.4-136.3-108.9 153.9 64.2 23.4 42.8 13 7 A T E -G 21 0C 70 8,-3.2 8,-1.8 -2,-0.3 2,-0.7 -0.871 17.3-141.0-103.0 130.3 67.4 24.6 44.4 14 8 A N E -G 20 0C 18 -2,-0.4 2,-0.7 6,-0.2 152,-0.2 -0.865 14.7-168.0 -97.4 113.0 70.6 23.4 42.9 15 9 A Y E >> S-G 19 0C 79 4,-3.5 3,-2.3 -2,-0.7 4,-2.2 -0.904 71.1 -38.6-101.1 109.5 73.3 22.6 45.5 16 10 A M T 34 S- 0 0 97 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.632 101.1 -74.6 52.6 24.1 76.7 22.0 43.8 17 11 A D T 34 S+ 0 0 12 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.607 130.2 80.0 65.4 12.3 75.2 20.1 40.8 18 12 A T T <4 S+ 0 0 16 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.629 86.8 45.0-118.9 -25.9 74.7 17.1 43.1 19 13 A Q E < -G 15 0C 26 -4,-2.2 -4,-3.5 209,-0.1 2,-0.5 -0.991 55.0-178.9-130.5 124.2 71.5 17.9 45.1 20 14 A Y E +G 14 0C 6 -2,-0.4 17,-0.5 -6,-0.2 2,-0.3 -0.993 19.9 166.2-122.2 113.4 68.2 19.3 43.6 21 15 A Y E -G 13 0C 19 -8,-1.8 -8,-3.2 -2,-0.5 15,-0.2 -0.976 17.5-174.2-135.9 149.4 65.6 19.9 46.2 22 16 A G E -H 35 0D 3 13,-2.3 13,-3.0 -2,-0.3 2,-0.4 -0.598 32.1 -90.4-123.9-173.8 62.3 21.8 46.5 23 17 A E E +H 34 0D 101 -12,-0.4 77,-0.5 11,-0.2 2,-0.3 -0.848 30.9 178.8-111.4 144.3 59.8 22.5 49.3 24 18 A I E -H 33 0D 3 9,-2.0 9,-2.7 -2,-0.4 2,-0.4 -0.940 20.3-138.8-131.8 152.7 56.9 20.6 50.7 25 19 A G E -HI 32 98D 8 73,-2.1 73,-2.6 -2,-0.3 2,-0.4 -0.963 16.5-165.8-113.1 129.5 54.6 21.5 53.6 26 20 A I E > -HI 31 97D 0 5,-3.0 5,-2.3 -2,-0.4 71,-0.2 -0.984 46.5 -4.8-120.3 129.4 53.5 18.8 56.0 27 21 A G T 5S- 0 0 6 69,-2.5 42,-0.1 -2,-0.4 68,-0.1 -0.243 91.6 -38.5 93.1-178.7 50.7 19.2 58.6 28 22 A T T 5S+ 0 0 59 1,-0.2 42,-2.3 2,-0.1 43,-0.2 -0.978 136.6 22.1-128.3 109.8 48.3 22.0 59.9 29 23 A P T 5S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.697 120.5-105.1 -70.5 163.4 49.8 24.6 60.1 30 24 A P T 5 - 0 0 86 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.341 24.3-155.4 -66.1 138.4 52.4 23.4 57.5 31 25 A Q E < -H 26 0D 29 -5,-2.3 -5,-3.0 -2,-0.1 2,-0.3 -0.957 26.0-134.1-105.2 121.8 55.9 22.4 58.6 32 26 A T E -H 25 0D 54 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.667 23.9-174.8 -88.7 141.2 58.2 23.0 55.6 33 27 A F E -H 24 0D 1 -9,-2.7 -9,-2.0 -2,-0.3 2,-0.6 -0.979 27.2-129.1-134.9 146.0 60.9 20.5 54.4 34 28 A K E -H 23 0D 78 -2,-0.3 91,-2.9 -11,-0.2 92,-2.0 -0.838 42.2-176.2 -88.9 119.0 63.6 20.6 51.8 35 29 A V E -Hj 22 126D 0 -13,-3.0 -13,-2.3 -2,-0.6 2,-0.4 -0.956 29.4-135.5-128.0 147.1 63.0 17.4 49.7 36 30 A V E - j 0 127D 15 90,-1.8 92,-3.1 -2,-0.3 2,-0.8 -0.798 23.0-137.5 -91.6 133.2 64.7 15.5 46.8 37 31 A F E - j 0 128D 5 -17,-0.5 2,-0.6 -2,-0.4 92,-0.2 -0.891 28.1-166.8 -98.6 105.1 62.1 14.2 44.2 38 32 A D E > - j 0 129D 15 90,-2.4 92,-3.6 -2,-0.8 3,-1.1 -0.888 27.2-174.5-107.1 112.1 63.4 10.7 43.5 39 33 A T T 3 S+ 0 0 0 -2,-0.6 160,-0.5 1,-0.2 93,-0.2 0.694 86.9 65.9 -74.5 -17.4 62.2 8.6 40.5 40 34 A G T 3 S+ 0 0 22 91,-0.1 2,-0.3 158,-0.1 -1,-0.2 0.330 106.6 37.0 -84.7 3.2 64.3 5.6 41.8 41 35 A S < - 0 0 14 -3,-1.1 90,-2.6 87,-0.1 89,-0.5 -0.932 60.5-151.6-148.6 167.0 62.2 5.2 45.0 42 36 A S + 0 0 3 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.338 60.6 95.2-129.4 5.5 58.5 5.4 46.0 43 37 A N - 0 0 7 92,-0.1 86,-0.9 99,-0.1 2,-0.4 -0.756 59.4-140.8-102.7 149.5 58.3 6.4 49.7 44 38 A V E +K 128 0D 2 63,-0.4 65,-2.9 -2,-0.3 2,-0.3 -0.865 32.9 164.4-100.6 132.8 57.9 9.9 51.2 45 39 A W E +Kl 127 109D 0 82,-2.2 82,-2.1 -2,-0.4 65,-0.2 -0.976 16.6 175.7-150.9 150.4 60.0 10.5 54.4 46 40 A V E - l 0 110D 0 63,-1.8 65,-2.7 -2,-0.3 80,-0.2 -0.946 46.3 -84.8-143.0 156.5 61.3 13.4 56.5 47 41 A P E - l 0 111D 0 0, 0.0 17,-3.1 0, 0.0 2,-0.3 -0.354 48.6-129.9 -65.9 146.7 63.3 13.4 59.8 48 42 A S B > -o 64 0E 0 63,-3.0 3,-1.8 15,-0.3 17,-0.2 -0.742 13.2-131.7 -99.0 149.4 61.1 13.0 63.0 49 43 A S T 3 S+ 0 0 23 15,-2.8 16,-0.1 -2,-0.3 -1,-0.1 0.760 112.2 66.3 -65.6 -21.5 61.0 15.1 66.2 50 44 A K T 3 S+ 0 0 102 14,-0.4 2,-0.5 2,-0.1 -1,-0.3 0.451 74.8 115.4 -79.0 0.4 61.1 11.5 67.8 51 45 A a S < S- 0 0 1 -3,-1.8 62,-0.1 60,-0.2 61,-0.1 -0.628 76.6-116.5 -74.9 118.6 64.7 11.2 66.3 52 46 A S > - 0 0 62 60,-0.6 3,-2.4 -2,-0.5 6,-0.2 -0.335 16.1-128.4 -57.5 129.8 67.2 10.9 69.3 53 47 A R T 3 S+ 0 0 134 1,-0.3 -1,-0.1 5,-0.1 6,-0.1 0.412 102.6 80.5 -64.5 0.0 69.6 13.9 69.2 54 47AA L T 3 S+ 0 0 158 1,-0.1 2,-1.0 4,-0.1 -1,-0.3 0.678 76.8 80.1 -78.3 -19.2 72.6 11.4 69.4 55 47BA Y S X S- 0 0 75 -3,-2.4 3,-0.8 1,-0.2 4,-0.5 -0.834 75.0-164.2 -84.5 99.0 71.8 11.2 65.6 56 48 A T G >> S+ 0 0 68 -2,-1.0 4,-1.5 1,-0.2 3,-1.0 0.781 84.5 66.0 -57.9 -32.6 73.7 14.4 64.7 57 49 A A G 34 S+ 0 0 0 57,-0.6 -1,-0.2 1,-0.3 4,-0.2 0.860 99.6 54.0 -58.3 -35.2 72.0 14.4 61.2 58 50 A a G <4 S+ 0 0 1 -3,-0.8 3,-0.3 56,-0.3 -1,-0.3 0.690 103.9 53.0 -72.0 -21.8 68.8 15.0 63.3 59 51 A V T <4 S+ 0 0 85 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.841 112.3 47.4 -76.5 -34.9 70.3 18.0 65.0 60 52 A Y S < S+ 0 0 163 -4,-1.5 2,-0.3 2,-0.1 -2,-0.2 0.262 107.4 63.6 -91.8 7.2 71.2 19.5 61.5 61 53 A H S S- 0 0 21 -3,-0.3 2,-0.2 -4,-0.2 64,-0.1 -0.886 88.6 -95.0-133.3 161.1 67.8 19.0 59.8 62 54 A K - 0 0 91 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.558 43.8-150.2 -70.6 134.2 64.2 20.1 60.1 63 55 A L - 0 0 31 -2,-0.2 2,-0.4 -17,-0.1 -15,-0.3 -0.946 11.1-124.0-115.7 133.8 62.2 17.6 62.1 64 56 A F B -o 48 0E 0 -17,-3.1 -15,-2.8 -2,-0.4 2,-0.6 -0.660 21.5-162.6 -77.2 125.3 58.5 16.8 61.8 65 57 A D > - 0 0 51 -2,-0.4 3,-1.1 -17,-0.2 4,-0.1 -0.950 9.6-171.7-111.0 107.8 56.5 17.2 65.0 66 58 A A G > S+ 0 0 5 -2,-0.6 3,-1.9 1,-0.2 6,-0.3 0.820 83.9 68.5 -66.5 -32.8 53.1 15.4 64.9 67 59 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.2 3,-0.0 3,-0.0 0.490 99.2 51.2 -64.1 -8.9 52.2 17.1 68.3 68 60 A D G < S+ 0 0 103 -3,-1.1 2,-0.5 -39,-0.0 -1,-0.3 0.326 96.1 85.1-109.8 1.7 52.0 20.5 66.4 69 61 A S < - 0 0 14 -3,-1.9 3,-0.4 1,-0.1 -42,-0.1 -0.929 51.6-170.9-113.5 125.5 49.8 19.2 63.6 70 62 A S S S+ 0 0 103 -42,-2.3 -1,-0.1 -2,-0.5 -4,-0.0 0.643 89.9 54.0 -83.2 -16.9 46.0 19.1 63.9 71 63 A S S S+ 0 0 23 -43,-0.2 -1,-0.2 25,-0.1 -44,-0.1 0.408 81.6 124.5 -96.8 -0.9 45.5 17.1 60.6 72 64 A Y - 0 0 54 -3,-0.4 2,-0.4 -6,-0.3 23,-0.2 -0.339 42.0-165.0 -64.4 136.8 47.9 14.3 61.7 73 65 A K E -M 94 0D 126 21,-2.9 21,-2.3 -2,-0.1 2,-0.1 -0.998 20.2-128.2-126.4 120.0 46.7 10.7 61.8 74 66 A H E +M 93 0D 141 -2,-0.4 19,-0.2 19,-0.2 21,-0.0 -0.388 39.0 154.5 -65.9 144.6 48.8 8.1 63.7 75 67 A N E - 0 0 61 17,-0.7 18,-0.2 -2,-0.1 -1,-0.1 0.460 19.9-169.1-131.2 -64.5 49.9 4.8 62.0 76 68 A G E + 0 0 31 16,-3.0 2,-0.2 1,-0.3 17,-0.1 0.304 27.5 149.5 90.0 -8.7 53.1 3.7 63.8 77 69 A T E - 0 0 77 15,-0.2 15,-2.6 14,-0.1 -1,-0.3 -0.422 46.4-123.3 -60.2 129.3 54.1 0.9 61.4 78 70 A E E +M 91 0D 172 13,-0.3 2,-0.3 -2,-0.2 13,-0.3 -0.431 34.6 176.9 -77.0 142.9 57.9 0.5 61.3 79 71 A L E -M 90 0D 16 11,-1.9 11,-2.1 -2,-0.1 2,-0.4 -0.988 21.1-152.4-150.6 147.5 59.8 0.8 58.0 80 72 A T E -M 89 0D 50 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.975 10.2-162.2-122.1 133.2 63.4 0.7 56.8 81 73 A L E -M 88 0D 7 7,-3.1 7,-2.7 -2,-0.4 2,-0.5 -0.991 6.0-160.3-123.7 119.9 64.4 2.6 53.6 82 74 A R E +M 87 0D 187 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.911 13.1 174.6-107.7 124.1 67.7 1.6 51.9 83 75 A Y - 0 0 58 3,-2.5 -42,-0.0 -2,-0.5 -2,-0.0 -0.544 45.6 -98.8-116.8-177.9 69.5 3.9 49.5 84 76 A S S S+ 0 0 86 -2,-0.2 218,-0.1 1,-0.2 3,-0.1 0.847 121.5 35.6 -73.6 -35.5 72.8 3.7 47.7 85 77 A T S S- 0 0 100 1,-0.2 2,-0.3 33,-0.0 -1,-0.2 0.552 129.9 -36.2 -91.8 -19.0 74.7 6.0 50.2 86 78 A G - 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