==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 13-JUN-11 3SFC . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.SCHEIPER,H.MATTER,H STEINHAGEN,Z.BOCSKEI,V.FLEURY,G.MCCORT . 680 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 485 71.3 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 30.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 82 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 8.1 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 2 4 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 . 6 6 6 6 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 0 113 0, 0.0 2,-0.4 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 128.1 -4.3 -36.0 28.0 2 -4 A T - 0 0 104 146,-0.3 2,-0.3 151,-0.0 149,-0.3 -0.988 360.0-159.4-121.2 121.8 -7.6 -35.9 29.9 3 -3 A L - 0 0 71 -2,-0.4 151,-0.2 149,-0.1 2,-0.1 -0.797 9.1-176.3-106.6 146.9 -10.7 -37.6 28.3 4 -2 A G - 0 0 26 149,-2.6 149,-0.2 -2,-0.3 148,-0.2 -0.052 38.5 -99.5-111.1-147.4 -14.4 -37.1 29.0 5 -1 A N S S+ 0 0 140 147,-0.6 2,-0.3 -2,-0.1 148,-0.2 0.111 80.8 99.4-131.4 20.5 -17.6 -38.7 27.7 6 0 A T B -a 153 0A 73 146,-2.3 148,-2.4 2,-0.0 2,-0.3 -0.787 43.7-168.9-116.4 155.2 -18.8 -36.1 25.1 7 1 A T - 0 0 83 -2,-0.3 2,-0.4 146,-0.2 172,-0.2 -0.931 12.6-154.5-129.0 151.4 -18.7 -35.7 21.3 8 2 A S E -B 178 0B 9 170,-2.0 170,-3.3 -2,-0.3 2,-0.4 -0.983 5.6-153.7-129.7 141.0 -19.6 -32.5 19.4 9 3 A S E -B 177 0B 56 91,-0.4 2,-0.5 -2,-0.4 168,-0.2 -0.930 5.3-158.9-120.8 142.4 -20.9 -32.2 15.9 10 4 A V E -B 176 0B 7 166,-2.6 166,-2.1 -2,-0.4 2,-0.3 -0.987 18.7-139.0-117.4 118.2 -20.7 -29.3 13.3 11 5 A I E -B 175 0B 102 -2,-0.5 12,-0.4 164,-0.2 2,-0.3 -0.621 22.2-151.6 -75.4 129.6 -23.2 -29.4 10.5 12 6 A L E -B 174 0B 4 162,-2.7 162,-0.9 -2,-0.3 161,-0.9 -0.777 7.9-137.9-106.4 150.3 -21.6 -28.4 7.2 13 7 A T E -G 21 0C 71 8,-2.9 8,-1.7 -2,-0.3 2,-0.7 -0.871 17.0-141.2-100.2 136.2 -23.2 -26.8 4.1 14 8 A N E -G 20 0C 17 -2,-0.4 2,-0.7 6,-0.2 6,-0.2 -0.909 14.9-169.3-102.7 112.9 -22.1 -28.2 0.7 15 9 A Y E >> S-G 19 0C 80 4,-3.1 4,-2.0 -2,-0.7 3,-1.9 -0.915 71.2 -39.3-103.6 108.9 -21.6 -25.5 -1.9 16 10 A M T 34 S- 0 0 89 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.608 99.5 -76.5 53.7 23.1 -21.2 -27.1 -5.5 17 11 A D T 34 S+ 0 0 6 2,-0.3 -1,-0.3 147,-0.1 3,-0.1 0.561 129.1 82.1 65.3 10.1 -19.1 -30.0 -4.2 18 12 A T T <4 S+ 0 0 28 -3,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.611 86.5 45.4-114.5 -23.2 -16.2 -27.5 -3.9 19 13 A Q E < -G 15 0C 24 -4,-2.0 -4,-3.1 211,-0.1 2,-0.5 -0.988 55.2-177.9-132.2 126.3 -16.8 -25.8 -0.6 20 14 A Y E +G 14 0C 7 -2,-0.4 17,-0.5 -6,-0.2 2,-0.3 -0.982 20.7 164.3-124.0 115.3 -17.7 -27.3 2.7 21 15 A Y E -G 13 0C 20 -8,-1.7 -8,-2.9 -2,-0.5 15,-0.2 -0.983 19.8-167.3-139.6 149.0 -18.3 -24.9 5.5 22 16 A G E -H 35 0D 2 13,-2.4 13,-3.1 -2,-0.3 2,-0.4 -0.586 29.0-100.9-118.8 179.7 -19.8 -24.7 9.0 23 17 A E E -H 34 0D 116 -12,-0.4 77,-0.4 11,-0.2 2,-0.3 -0.870 30.3-179.3-109.3 143.2 -20.8 -21.9 11.4 24 18 A I E -H 33 0D 4 9,-1.7 9,-2.6 -2,-0.4 2,-0.4 -0.957 19.5-136.8-132.9 150.3 -18.8 -20.7 14.5 25 19 A G E -HI 32 98D 7 73,-1.9 73,-2.9 -2,-0.3 2,-0.4 -0.921 16.9-164.8-110.7 135.5 -19.7 -17.9 16.9 26 20 A I E > -HI 31 97D 0 5,-2.6 5,-1.9 -2,-0.4 71,-0.2 -0.986 44.8 -12.0-125.1 129.9 -17.1 -15.3 18.1 27 21 A G T 5S- 0 0 4 69,-2.6 42,-0.1 -2,-0.4 68,-0.1 -0.229 92.0 -35.0 87.3-175.3 -17.4 -13.0 21.1 28 22 A T T 5S+ 0 0 59 1,-0.2 42,-2.2 2,-0.1 43,-0.2 -0.974 136.3 24.0-128.3 108.9 -20.1 -11.7 23.5 29 23 A P T 5S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.641 118.8-106.0 -70.8 158.9 -22.8 -11.5 22.0 30 24 A P T 5 - 0 0 85 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.275 24.8-154.5 -62.9 137.3 -21.7 -14.1 19.3 31 25 A Q E < -H 26 0D 24 -5,-1.9 -5,-2.6 31,-0.0 2,-0.3 -0.955 23.8-134.8-105.8 121.3 -20.8 -12.9 15.8 32 26 A T E -H 25 0D 61 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.687 23.8-174.4 -87.4 137.3 -21.5 -15.7 13.4 33 27 A F E -H 24 0D 1 -9,-2.6 -9,-1.7 -2,-0.3 2,-0.5 -0.991 26.8-130.7-133.7 141.8 -19.0 -16.8 10.7 34 28 A K E -H 23 0D 78 -2,-0.4 91,-2.8 -11,-0.2 92,-2.1 -0.776 41.9-178.0 -85.5 122.6 -19.0 -19.3 7.8 35 29 A V E -Hj 22 126D 0 -13,-3.1 -13,-2.4 -2,-0.5 2,-0.4 -0.990 29.3-136.3-131.0 145.1 -15.8 -21.2 8.1 36 30 A V E - j 0 127D 13 90,-2.1 92,-2.9 -2,-0.4 2,-0.7 -0.761 22.0-137.2 -92.8 136.0 -13.9 -23.9 6.3 37 31 A F E - j 0 128D 4 -17,-0.5 2,-0.5 -2,-0.4 92,-0.2 -0.907 28.0-169.1 -97.8 109.5 -12.4 -26.6 8.6 38 32 A D E > - j 0 129D 17 90,-2.4 92,-3.3 -2,-0.7 3,-1.2 -0.918 29.7-175.8-114.4 110.6 -8.9 -27.2 7.2 39 33 A T T 3 S+ 0 0 4 -2,-0.5 162,-0.5 1,-0.2 93,-0.2 0.633 87.8 68.8 -73.1 -14.0 -6.5 -30.1 8.2 40 34 A G T 3 S+ 0 0 32 91,-0.1 2,-0.3 160,-0.1 -1,-0.2 0.408 105.0 38.6 -83.6 -2.3 -4.0 -28.5 5.8 41 35 A S < - 0 0 14 -3,-1.2 90,-2.6 87,-0.1 89,-0.4 -0.912 61.7-151.7-143.6 166.1 -3.5 -25.4 8.1 42 36 A S + 0 0 5 93,-0.3 2,-0.3 -2,-0.3 101,-0.2 0.396 62.8 89.5-123.2 -0.2 -3.3 -24.8 11.9 43 37 A N - 0 0 7 92,-0.1 86,-1.0 99,-0.1 2,-0.4 -0.717 60.3-139.9-105.4 153.0 -4.6 -21.2 12.4 44 38 A V E +K 128 0D 4 63,-0.3 65,-2.7 -2,-0.3 2,-0.3 -0.907 33.3 162.6-103.8 135.1 -8.0 -19.7 13.1 45 39 A W E -Kl 127 109D 0 82,-2.2 82,-2.0 -2,-0.4 65,-0.2 -0.981 18.7-178.4-153.7 148.5 -8.8 -16.5 11.2 46 40 A V E - l 0 110D 0 63,-2.1 65,-2.5 -2,-0.3 80,-0.1 -0.945 44.5 -90.5-136.5 153.6 -11.9 -14.3 10.3 47 41 A P E - l 0 111D 0 0, 0.0 17,-3.2 0, 0.0 2,-0.2 -0.451 48.1-131.2 -67.8 142.5 -12.0 -11.0 8.3 48 42 A S B > -o 64 0E 0 63,-3.0 3,-1.6 15,-0.3 17,-0.2 -0.652 14.0-126.9 -95.2 155.1 -11.7 -8.0 10.7 49 43 A S T 3 S+ 0 0 23 15,-2.8 16,-0.1 1,-0.3 -1,-0.1 0.650 113.2 65.6 -68.7 -17.2 -13.8 -4.8 10.8 50 44 A K T 3 S+ 0 0 119 14,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.377 73.6 115.9 -85.2 -0.2 -10.4 -3.1 10.6 51 45 A a S < S- 0 0 0 -3,-1.6 62,-0.1 60,-0.2 61,-0.1 -0.666 79.0-111.3 -74.2 119.0 -9.9 -4.5 7.0 52 46 A S > - 0 0 58 60,-0.7 3,-1.9 -2,-0.5 6,-0.2 -0.249 19.1-128.9 -49.6 130.3 -9.8 -1.5 4.6 53 46AA R T 3 S+ 0 0 137 1,-0.3 6,-0.2 5,-0.1 -1,-0.1 0.584 101.5 78.4 -65.1 -8.6 -13.0 -1.4 2.5 54 46BA L T 3 S+ 0 0 164 4,-0.1 2,-0.9 5,-0.0 -1,-0.3 0.589 74.1 85.8 -76.7 -6.1 -10.8 -1.1 -0.7 55 47 A Y S X> S- 0 0 77 -3,-1.9 3,-0.9 1,-0.2 4,-0.7 -0.872 75.2-157.8 -89.2 103.0 -10.3 -4.9 -0.3 56 48 A T H >> S+ 0 0 66 -2,-0.9 4,-1.5 1,-0.2 3,-1.1 0.859 88.3 62.8 -55.1 -37.0 -13.4 -6.0 -2.1 57 49 A A H 3> S+ 0 0 0 57,-0.5 4,-1.6 1,-0.3 -1,-0.2 0.840 101.1 54.0 -55.3 -36.3 -13.4 -9.4 -0.3 58 50 A a H <4 S+ 0 0 2 -3,-0.9 -1,-0.3 56,-0.3 -2,-0.2 0.716 105.1 52.4 -72.2 -23.5 -13.9 -7.4 3.0 59 51 A V H << S+ 0 0 83 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.817 116.1 40.9 -77.3 -35.2 -17.0 -5.6 1.5 60 52 A Y H < S+ 0 0 166 -4,-1.5 -2,-0.2 2,-0.1 2,-0.2 0.653 107.8 68.8 -89.3 -23.0 -18.6 -9.0 0.6 61 53 A H S < S- 0 0 21 -4,-1.6 2,-0.3 -5,-0.2 64,-0.1 -0.581 90.6 -97.5 -99.4 162.9 -17.6 -11.1 3.7 62 54 A K - 0 0 88 -2,-0.2 2,-0.4 -28,-0.1 -2,-0.1 -0.633 42.9-146.0 -76.3 132.1 -18.8 -10.9 7.3 63 55 A L - 0 0 32 -2,-0.3 2,-0.5 -17,-0.1 -15,-0.3 -0.856 9.0-125.4-107.3 140.6 -16.3 -8.9 9.5 64 56 A F B -o 48 0E 0 -17,-3.2 -15,-2.8 -2,-0.4 2,-0.7 -0.714 20.3-160.9 -83.4 122.5 -15.4 -9.4 13.1 65 57 A D > - 0 0 52 -2,-0.5 3,-1.5 -17,-0.2 4,-0.1 -0.919 9.3-172.7-107.4 102.6 -15.8 -6.2 15.1 66 58 A A G > S+ 0 0 7 -2,-0.7 3,-1.6 1,-0.3 6,-0.3 0.815 86.1 65.3 -59.6 -35.1 -13.8 -6.5 18.4 67 59 A S G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.517 99.2 53.1 -65.2 -12.4 -15.5 -3.2 19.5 68 60 A D G < S+ 0 0 106 -3,-1.5 2,-0.4 -39,-0.0 -1,-0.3 0.383 96.1 83.9-102.5 -1.7 -18.8 -5.1 19.6 69 61 A S < - 0 0 15 -3,-1.6 3,-0.3 -4,-0.1 -42,-0.1 -0.904 53.3-169.5-109.6 130.0 -17.5 -7.9 21.9 70 62 A S S S+ 0 0 104 -42,-2.2 -1,-0.1 -2,-0.4 -3,-0.0 0.519 90.5 53.7 -90.6 -9.0 -17.3 -7.6 25.7 71 63 A S S S+ 0 0 22 -43,-0.2 -1,-0.2 25,-0.1 2,-0.1 0.347 80.3 125.1-106.5 4.2 -15.1 -10.8 26.0 72 64 A Y - 0 0 52 -6,-0.3 2,-0.5 -3,-0.3 23,-0.2 -0.399 43.1-162.2 -66.5 136.3 -12.4 -9.6 23.6 73 65 A K E -M 94 0D 127 21,-3.0 21,-2.3 -2,-0.1 2,-0.1 -0.992 19.2-127.8-124.0 118.1 -8.8 -9.6 24.8 74 66 A H E +M 93 0D 141 -2,-0.5 19,-0.1 19,-0.2 18,-0.0 -0.351 42.5 148.3 -64.6 143.5 -6.3 -7.5 22.8 75 67 A N E - 0 0 64 17,-0.6 18,-0.2 -2,-0.1 -1,-0.1 0.381 22.2-169.2-134.1 -69.4 -3.0 -8.9 21.6 76 68 A G E + 0 0 36 16,-2.9 2,-0.2 1,-0.3 17,-0.1 0.422 23.5 156.4 87.1 1.8 -2.0 -7.2 18.3 77 69 A T E - 0 0 72 15,-0.3 15,-2.2 1,-0.1 -1,-0.3 -0.464 48.3-114.5 -63.4 124.4 0.9 -9.5 17.2 78 70 A E E -M 91 0D 177 13,-0.2 2,-0.3 -2,-0.2 13,-0.3 -0.315 38.2-173.5 -61.6 139.1 1.2 -9.2 13.4 79 71 A L E -M 90 0D 7 11,-2.7 11,-3.1 31,-0.1 2,-0.4 -0.988 16.1-170.8-145.2 131.4 0.4 -12.3 11.5 80 72 A T E -M 89 0D 41 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.989 8.7-162.7-121.7 129.3 0.7 -13.4 7.8 81 73 A L E -M 88 0D 3 7,-3.3 7,-2.3 -2,-0.4 2,-0.7 -0.957 3.3-163.4-119.7 109.8 -0.8 -16.7 6.5 82 74 A R E +M 87 0D 187 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.852 14.2 179.0 -97.7 111.8 0.5 -18.0 3.2 83 75 A Y - 0 0 59 3,-3.2 3,-0.2 -2,-0.7 -42,-0.0 -0.548 44.5 -97.8-104.6 173.9 -1.8 -20.6 1.6 84 76 A S S S+ 0 0 78 1,-0.2 220,-0.1 -2,-0.2 3,-0.1 0.786 122.9 25.3 -57.2 -37.4 -1.6 -22.6 -1.7 85 77 A T S S- 0 0 97 1,-0.2 2,-0.3 33,-0.0 -1,-0.2 0.380 129.8 -8.8-113.4 -2.5 -4.0 -20.2 -3.4 86 78 A G - 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