==== 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 02-OCT-06 2IKU . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.MOCHALKIN . 674 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 70.5 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 . 202 30.0 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 . 78 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.4 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 . 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 6 0 3 1 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 . 5 8 4 6 9 3 1 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 2 1 2 0 1 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 -1 A G 0 0 72 0, 0.0 148,-0.2 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0-171.7 0.9 18.2 -6.1 2 0 A N + 0 0 122 147,-0.3 148,-0.2 146,-0.1 2,-0.1 0.443 360.0 101.4-133.7 -0.3 2.1 15.0 -7.8 3 1 A T B -a 150 0A 66 146,-2.5 148,-2.0 148,-0.0 2,-0.3 -0.469 38.9-173.1 -90.3 157.4 -0.4 13.7 -10.4 4 2 A T - 0 0 78 146,-0.2 2,-0.4 -2,-0.1 172,-0.2 -0.977 6.6-162.4-138.0 151.9 -0.6 13.9 -14.1 5 3 A S E -B 175 0B 17 170,-1.9 170,-4.1 -2,-0.3 2,-0.4 -0.993 0.9-159.4-131.0 143.6 -3.4 12.8 -16.5 6 4 A S E -B 174 0B 59 -2,-0.4 2,-0.4 168,-0.3 168,-0.2 -0.916 5.2-153.1-121.0 152.2 -3.5 12.1 -20.1 7 5 A V E -B 173 0B 11 166,-2.1 166,-2.0 -2,-0.4 2,-0.3 -0.983 20.8-129.9-117.8 128.8 -6.4 12.1 -22.5 8 6 A I E -B 172 0B 125 -2,-0.4 12,-0.5 164,-0.2 2,-0.3 -0.645 26.3-151.6 -77.5 135.1 -6.2 9.9 -25.6 9 7 A L E -B 171 0B 3 162,-2.7 162,-1.5 -2,-0.3 161,-0.9 -0.806 6.4-136.6-109.9 151.2 -7.1 11.8 -28.8 10 8 A T E -G 18 0C 70 8,-3.1 8,-1.7 -2,-0.3 2,-0.5 -0.828 16.5-140.5-101.0 144.0 -8.6 10.6 -32.1 11 9 A N E -G 17 0C 18 -2,-0.4 2,-0.6 6,-0.2 152,-0.2 -0.935 13.4-164.7-112.0 120.8 -7.1 11.9 -35.4 12 10 A Y E >> -G 16 0C 64 4,-3.0 3,-2.9 -2,-0.5 4,-1.5 -0.916 69.5 -40.1-112.8 110.2 -9.6 12.7 -38.2 13 11 A M T 34 S- 0 0 102 -2,-0.6 -1,-0.1 1,-0.3 149,-0.0 0.722 102.6 -76.3 47.4 29.1 -8.1 13.1 -41.6 14 12 A D T 34 S+ 0 0 6 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.603 127.0 84.2 60.4 15.9 -5.2 15.0 -40.0 15 13 A T T <4 S+ 0 0 19 -3,-2.9 2,-0.4 1,-0.3 -2,-0.2 0.548 85.5 42.6-123.1 -13.8 -7.5 18.1 -39.6 16 14 A Q E < -G 12 0C 30 -4,-1.5 -4,-3.0 211,-0.1 2,-0.4 -0.986 56.1-176.7-140.0 126.1 -9.3 17.4 -36.3 17 15 A Y E +G 11 0C 6 -2,-0.4 17,-0.4 -6,-0.2 2,-0.3 -0.989 19.2 162.1-120.4 124.8 -7.9 16.0 -33.1 18 16 A Y E -G 10 0C 11 -8,-1.7 -8,-3.1 -2,-0.4 15,-0.2 -0.988 20.0-165.8-146.0 152.3 -10.3 15.4 -30.2 19 17 A G E -H 32 0D 4 13,-2.4 13,-3.1 -2,-0.3 2,-0.3 -0.712 31.8 -92.6-125.4-178.8 -10.6 13.6 -26.9 20 18 A E E +H 31 0D 122 -12,-0.5 77,-0.4 -2,-0.2 2,-0.3 -0.736 33.2 178.0-101.4 143.1 -13.5 12.7 -24.6 21 19 A I E -H 30 0D 3 9,-1.8 9,-2.0 -2,-0.3 2,-0.4 -0.956 20.6-136.1-132.6 156.1 -14.8 14.6 -21.6 22 20 A G E -HI 29 95D 6 73,-1.7 73,-2.1 -2,-0.3 2,-0.4 -0.933 17.4-169.1-110.5 135.0 -17.8 13.8 -19.3 23 21 A I E > -HI 28 94D 0 5,-2.8 5,-2.8 -2,-0.4 71,-0.2 -0.990 46.3 -1.8-125.0 131.4 -20.2 16.4 -18.2 24 22 A G T 5S- 0 0 6 69,-2.3 42,-0.1 -2,-0.4 68,-0.1 -0.201 90.6 -41.8 92.2 178.0 -22.9 16.1 -15.4 25 23 A T T 5S+ 0 0 56 1,-0.2 42,-2.6 2,-0.1 43,-0.3 -0.971 135.1 23.9-133.9 111.4 -24.1 13.4 -13.1 26 24 A P T 5S- 0 0 94 0, 0.0 -1,-0.2 0, 0.0 42,-0.1 0.678 121.2-102.6 -70.5 164.3 -24.4 10.8 -14.5 27 25 A P T 5 - 0 0 88 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.281 27.1-158.9 -62.6 132.3 -21.8 11.8 -17.1 28 26 A Q E < -H 23 0D 27 -5,-2.8 -5,-2.8 31,-0.0 2,-0.2 -0.983 25.7-139.6-102.8 122.5 -22.9 12.8 -20.5 29 27 A T E -H 22 0D 53 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.505 21.8-176.4 -92.7 155.1 -19.9 12.4 -22.8 30 28 A F E -H 21 0D 3 -9,-2.0 -9,-1.8 -2,-0.2 2,-0.6 -0.997 28.6-125.7-150.9 140.3 -18.6 14.6 -25.6 31 29 A K E +H 20 0D 88 -2,-0.3 91,-2.7 -11,-0.2 92,-2.2 -0.829 44.0 175.8 -84.7 123.8 -15.9 14.6 -28.3 32 30 A V E -Hj 19 123D 0 -13,-3.1 -13,-2.4 -2,-0.6 2,-0.5 -0.967 31.9-127.2-135.1 147.9 -14.0 17.9 -27.8 33 31 A V E - j 0 124D 11 90,-1.8 92,-2.7 -2,-0.3 2,-0.8 -0.787 22.4-135.2 -89.8 130.9 -11.0 19.7 -29.3 34 32 A F E - j 0 125D 4 -2,-0.5 2,-0.6 -17,-0.4 92,-0.2 -0.793 33.7-167.6 -90.2 114.9 -8.4 20.9 -26.7 35 33 A D E > - j 0 126D 10 90,-2.4 92,-3.6 -2,-0.8 3,-1.0 -0.903 32.7-176.5-124.3 109.8 -7.7 24.3 -28.1 36 34 A T T 3 S+ 0 0 4 -2,-0.6 162,-0.4 1,-0.2 93,-0.2 0.573 85.6 68.0 -78.0 -10.5 -4.9 26.7 -27.1 37 35 A G T 3 S+ 0 0 36 91,-0.1 2,-0.3 160,-0.1 -1,-0.2 0.340 105.3 38.4 -89.5 3.5 -6.3 29.4 -29.4 38 36 A S < - 0 0 18 -3,-1.0 90,-2.5 87,-0.1 89,-0.7 -0.955 61.2-151.1-145.3 170.4 -9.5 29.9 -27.3 39 37 A S + 0 0 4 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.363 62.6 87.1-126.9 5.7 -10.4 30.0 -23.6 40 38 A N - 0 0 7 92,-0.1 86,-1.8 99,-0.1 2,-0.4 -0.760 60.9-138.0-109.7 150.6 -14.0 28.9 -23.2 41 39 A V E +K 125 0D 2 63,-0.4 65,-2.7 -2,-0.3 2,-0.3 -0.900 34.3 158.7 -97.8 137.2 -15.5 25.4 -22.8 42 40 A W E +Kl 124 106D 0 82,-2.2 82,-2.0 -2,-0.4 65,-0.2 -0.979 17.3 180.0-149.4 156.7 -18.7 24.7 -24.7 43 41 A V E - l 0 107D 0 63,-2.2 65,-2.4 -2,-0.3 80,-0.1 -0.951 44.8 -82.1-145.2 158.6 -20.7 21.8 -26.0 44 42 A P E - l 0 108D 0 0, 0.0 17,-3.3 0, 0.0 2,-0.3 -0.342 48.9-132.2 -64.8 147.5 -24.0 21.7 -28.0 45 43 A S B > -o 61 0E 0 63,-2.8 3,-2.0 15,-0.3 17,-0.2 -0.743 17.0-131.8-108.0 148.7 -27.2 22.0 -26.0 46 44 A S T 3 S+ 0 0 21 15,-2.9 16,-0.1 -2,-0.3 -1,-0.1 0.761 111.7 63.6 -61.4 -24.1 -30.5 20.1 -25.8 47 45 A K T 3 S+ 0 0 116 14,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.478 76.7 113.2 -77.8 -4.9 -32.0 23.7 -26.0 48 46 A a S < S- 0 0 0 -3,-2.0 62,-0.1 60,-0.3 61,-0.1 -0.631 79.1-111.8 -69.8 118.3 -30.5 24.1 -29.5 49 47 A S > - 0 0 57 60,-0.6 3,-2.0 -2,-0.5 6,-0.3 -0.173 14.2-132.1 -49.1 135.0 -33.3 24.2 -32.1 50 48 A R T 3 S+ 0 0 132 1,-0.3 6,-0.2 5,-0.1 -1,-0.2 0.501 101.5 81.5 -73.0 -1.6 -33.3 21.2 -34.4 51 49 A L T 3 S+ 0 0 159 1,-0.1 2,-1.1 4,-0.1 -1,-0.3 0.633 77.4 79.8 -71.2 -17.3 -33.6 23.6 -37.3 52 50 A Y S X> S- 0 0 74 -3,-2.0 3,-1.4 1,-0.2 4,-0.9 -0.812 73.9-165.6 -83.6 97.9 -29.8 23.7 -36.6 53 51 A T H >> S+ 0 0 63 -2,-1.1 4,-1.3 1,-0.3 3,-0.6 0.839 83.5 66.9 -58.3 -31.9 -28.9 20.5 -38.4 54 52 A A H 34 S+ 0 0 0 57,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.871 100.0 52.5 -55.2 -34.6 -25.5 20.6 -36.8 55 53 A a H X4 S+ 0 0 1 -3,-1.4 3,-0.8 56,-0.3 -1,-0.3 0.792 102.4 56.9 -71.9 -30.3 -27.4 20.0 -33.5 56 54 A V H << S+ 0 0 85 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.803 110.3 47.0 -65.2 -26.5 -29.2 17.0 -35.0 57 55 A Y T 3< S+ 0 0 163 -4,-1.3 2,-0.3 -3,-0.3 -1,-0.2 0.175 106.7 64.2-106.2 15.0 -25.7 15.4 -35.8 58 56 A H S < S- 0 0 23 -3,-0.8 2,-0.3 64,-0.0 64,-0.1 -0.900 89.6 -90.1-133.9 167.4 -24.0 16.0 -32.5 59 57 A K - 0 0 90 -2,-0.3 2,-0.5 -28,-0.1 -2,-0.1 -0.594 44.5-149.3 -74.0 131.2 -24.2 14.9 -28.8 60 58 A L - 0 0 30 -2,-0.3 2,-0.3 -17,-0.1 -15,-0.3 -0.928 9.3-129.3-107.2 125.1 -26.4 17.4 -26.9 61 59 A F B -o 45 0E 0 -17,-3.3 -15,-2.9 -2,-0.5 2,-0.5 -0.568 22.6-162.6 -67.7 128.0 -25.9 18.3 -23.3 62 60 A D > - 0 0 49 -2,-0.3 3,-1.5 -17,-0.2 4,-0.1 -0.948 11.3-169.6-120.7 111.2 -29.2 18.0 -21.4 63 61 A A G > S+ 0 0 8 -2,-0.5 3,-1.9 1,-0.3 6,-0.2 0.786 82.2 71.1 -73.3 -32.8 -29.3 19.7 -18.0 64 62 A S G 3 S+ 0 0 106 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.578 99.2 49.8 -55.1 -14.5 -32.5 18.1 -17.1 65 63 A D G < S+ 0 0 104 -3,-1.5 2,-0.6 1,-0.0 -1,-0.3 0.412 93.2 89.1-104.9 1.6 -30.7 14.9 -16.7 66 64 A S X - 0 0 12 -3,-1.9 3,-0.8 1,-0.1 -42,-0.1 -0.874 49.6-170.9-109.6 116.3 -27.8 16.2 -14.5 67 65 A S T 3 S+ 0 0 108 -42,-2.6 -1,-0.1 -2,-0.6 -4,-0.0 0.608 91.4 54.2 -77.1 -7.4 -28.2 16.2 -10.8 68 66 A S T 3 S+ 0 0 16 -43,-0.3 -1,-0.2 -42,-0.1 -44,-0.1 0.415 81.6 126.6-101.5 -2.2 -24.9 18.3 -10.5 69 67 A Y < - 0 0 60 -3,-0.8 2,-0.4 -6,-0.2 23,-0.2 -0.257 40.2-165.7 -58.8 139.8 -26.1 21.1 -12.8 70 68 A K E -M 91 0D 124 21,-2.9 21,-2.5 0, 0.0 -2,-0.0 -0.964 16.6-134.7-130.9 118.4 -26.0 24.7 -11.7 71 69 A H E +M 90 0D 139 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.315 40.6 146.3 -64.8 141.7 -27.9 27.3 -13.7 72 70 A N E - 0 0 74 17,-0.7 18,-0.2 2,-0.0 -1,-0.2 0.289 25.0-168.7-132.1 -63.4 -26.4 30.6 -14.7 73 71 A G E + 0 0 28 16,-2.9 17,-0.1 1,-0.3 2,-0.1 0.402 23.1 153.6 96.1 -1.9 -27.9 31.5 -18.1 74 72 A T E - 0 0 78 15,-0.2 15,-2.8 14,-0.1 -1,-0.3 -0.390 46.5-116.6 -59.5 131.6 -25.7 34.5 -19.2 75 73 A E E +M 88 0D 171 13,-0.2 2,-0.3 -2,-0.1 13,-0.3 -0.352 37.9 176.8 -66.8 146.8 -25.6 34.7 -23.0 76 74 A L E -M 87 0D 11 11,-1.8 11,-2.4 -2,-0.0 2,-0.4 -0.966 19.2-158.7-152.9 149.5 -22.3 34.3 -24.8 77 75 A T E -M 86 0D 41 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.990 10.3-156.0-127.8 129.5 -21.0 34.2 -28.4 78 76 A L E -M 85 0D 7 7,-2.9 7,-2.2 -2,-0.4 2,-0.6 -0.938 7.8-157.8-112.2 121.9 -17.8 32.6 -29.3 79 77 A R E +M 84 0D 191 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.903 13.5 177.1-109.1 120.3 -16.0 33.8 -32.5 80 78 A Y E > -M 83 0D 51 3,-2.7 3,-1.0 -2,-0.6 -42,-0.0 -0.782 43.8-106.5-114.6 163.4 -13.5 31.6 -34.3 81 79 A S T 3 S+ 0 0 82 -2,-0.3 220,-0.1 1,-0.3 3,-0.1 0.741 120.7 34.7 -59.6 -25.6 -11.6 32.1 -37.5 82 80 A T T 3 S- 0 0 102 1,-0.3 2,-0.3 33,-0.0 -1,-0.3 0.318 129.3 -23.5-114.5 4.4 -13.8 29.6 -39.4 83 81 A G E < -M 80 0D 16 -3,-1.0 -3,-2.7 32,-0.1 2,-0.4 -0.931 55.2-108.7 167.0 174.8 -17.2 30.1 -37.6 84 82 A T E -M 79 0D 58 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.952 16.8-169.0-129.0 143.4 -19.2 31.3 -34.7 85 83 A V E -M 78 0D 1 -7,-2.2 -7,-2.9 -2,-0.4 2,-0.3 -0.941 8.1-168.5-126.4 160.4 -21.3 29.6 -32.0 86 84 A S E +MN 77 110D 24 24,-1.6 24,-2.2 -2,-0.3 23,-1.8 -0.979 26.3 106.8-146.0 149.0 -23.7 31.1 -29.5 87 85 A G E -MN 76 108D 7 -11,-2.4 -11,-1.8 -2,-0.3 2,-0.3 -0.816 55.7 -69.9-179.7-135.2 -25.6 30.1 -26.4 88 86 A F E -MN 75 107D 34 19,-1.8 19,-3.3 -13,-0.3 -13,-0.2 -0.992 41.4 -96.1-150.8 156.7 -25.5 30.6 -22.7 89 87 A L E + N 0 106D 10 -15,-2.8 -16,-2.9 -2,-0.3 -17,-0.7 -0.460 38.6 168.5 -78.2 140.3 -23.4 29.7 -19.6 90 88 A S E -MN 71 105D 0 15,-3.1 15,-3.6 -18,-0.2 2,-0.4 -0.970 23.2-135.8-140.1 158.9 -24.0 26.7 -17.3 91 89 A Q E +MN 70 104D 64 -21,-2.5 -21,-2.9 -2,-0.3 2,-0.3 -0.918 35.6 136.9-115.7 141.6 -22.0 25.0 -14.5 92 90 A D E - 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