==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 27-SEP-95 1BIM . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.TONG . 669 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 72.9 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 . 195 29.1 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 . 2 0.3 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 . 101 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.0 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 . 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 6 0 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 3 3 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 7 9 8 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 0 0 1 2 2 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 -2 A G 0 0 67 0, 0.0 149,-0.2 0, 0.0 148,-0.2 0.000 360.0 360.0 360.0-160.6 6.7 71.8 54.0 2 -1 A N + 0 0 117 147,-0.6 2,-0.5 146,-0.2 148,-0.2 -0.007 360.0 126.6-133.9 34.0 8.5 72.4 57.2 3 0 A T B +a 150 0A 46 146,-1.7 148,-2.6 145,-0.0 149,-0.5 -0.764 25.2 175.7-101.2 142.4 11.2 69.8 57.6 4 1 A T + 0 0 80 -2,-0.5 2,-0.3 146,-0.2 170,-0.2 -0.945 11.2 179.0-130.3 142.6 14.8 70.4 58.3 5 2 A S E -B 173 0B 10 168,-1.1 168,-1.9 -2,-0.4 170,-0.3 -0.987 14.3-152.2-145.1 156.9 17.2 67.5 58.9 6 3 A S E -B 172 0B 54 -2,-0.3 2,-0.4 166,-0.2 166,-0.2 -0.687 4.4-156.9-115.5 174.3 20.8 67.1 59.6 7 4 A V E -B 171 0B 7 164,-1.3 164,-2.0 -2,-0.3 2,-0.4 -0.913 23.1-135.8-147.3 116.6 23.0 64.3 58.9 8 5 A I E -B 170 0B 100 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.703 22.9-151.3 -78.8 129.0 26.0 64.3 61.2 9 6 A L E -B 169 0B 1 160,-2.0 2,-0.6 -2,-0.4 160,-0.6 -0.863 7.8-137.7-107.4 144.4 29.3 63.6 59.3 10 7 A T E -G 18 0C 67 8,-3.3 8,-1.8 -2,-0.4 2,-0.8 -0.816 14.2-146.1-100.9 119.7 32.5 62.0 60.5 11 8 A N E -G 17 0C 15 -2,-0.6 2,-0.7 6,-0.2 6,-0.2 -0.809 16.3-174.7 -84.9 112.6 35.6 63.7 59.3 12 9 A Y E >> S-G 16 0C 71 4,-4.6 4,-3.3 -2,-0.8 3,-1.0 -0.949 70.2 -35.5-114.1 102.0 38.1 61.1 58.8 13 10 A M T 34 S- 0 0 104 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.528 94.1 -81.0 62.9 20.7 41.4 62.8 58.0 14 11 A D T 34 S+ 0 0 13 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.499 130.5 78.4 68.2 -5.0 40.1 65.8 56.0 15 12 A T T <4 S+ 0 0 24 -3,-1.0 2,-0.4 1,-0.3 -2,-0.2 0.786 92.7 39.5-102.3 -36.0 40.0 63.2 53.2 16 13 A Q E < +G 12 0C 15 -4,-3.3 -4,-4.6 209,-0.0 2,-0.5 -0.971 52.4 176.4-128.9 130.1 36.8 61.4 54.1 17 14 A Y E +G 11 0C 8 -2,-0.4 17,-0.6 -6,-0.2 2,-0.3 -0.929 18.5 172.3-127.5 98.7 33.4 62.7 55.5 18 15 A Y E -GH 10 33C 17 -8,-1.8 -8,-3.3 -2,-0.5 15,-0.2 -0.879 14.6-168.6-117.7 153.4 30.8 60.0 55.9 19 16 A G E - H 0 32C 1 13,-1.9 13,-1.2 -2,-0.3 2,-0.4 -0.182 28.6-100.7-111.6-159.6 27.3 59.9 57.4 20 17 A E E + H 0 31C 101 11,-0.2 77,-0.5 -12,-0.1 2,-0.3 -0.988 30.6 179.0-140.3 134.8 25.1 57.1 58.1 21 18 A I E -IH 96 30C 2 9,-2.1 9,-2.6 -2,-0.4 2,-0.4 -0.896 16.3-142.7-129.4 151.3 22.1 55.7 56.4 22 19 A G E -IH 95 29C 8 73,-1.4 73,-2.8 -2,-0.3 2,-0.4 -0.953 11.8-168.4-118.9 135.5 19.8 52.7 57.1 23 20 A I E > +IH 94 28C 0 5,-2.1 5,-1.1 -2,-0.4 71,-0.2 -0.980 52.3 5.6-126.4 131.9 18.3 50.3 54.6 24 21 A G T 5S- 0 0 1 69,-2.0 4,-0.2 -2,-0.4 42,-0.1 0.069 90.9 -61.9 81.6 165.1 15.6 47.8 55.3 25 22 A T T 5S+ 0 0 57 2,-0.1 42,-1.2 1,-0.1 43,-0.6 -1.000 128.6 39.5-122.0 120.2 13.5 47.2 58.3 26 23 A P T 5S- 0 0 91 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.628 117.6-112.0 -64.2 153.3 15.1 46.3 60.7 27 24 A P T 5 - 0 0 84 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.278 23.0-157.8 -66.5 140.3 17.6 48.8 59.7 28 25 A Q E < -H 23 0C 31 -5,-1.1 -5,-2.1 -4,-0.2 2,-0.2 -0.998 26.2-140.1-111.5 110.3 21.0 47.8 58.5 29 26 A T E -H 22 0C 61 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.610 21.4-173.7 -87.6 142.8 23.2 50.8 59.1 30 27 A F E -H 21 0C 0 -9,-2.6 -9,-2.1 -2,-0.2 2,-0.7 -0.993 28.3-129.6-138.4 146.2 25.9 52.0 56.7 31 28 A K E +H 20 0C 73 -2,-0.3 91,-2.6 -11,-0.2 92,-1.5 -0.842 44.1 173.7 -91.1 107.8 28.6 54.5 56.5 32 29 A V E -Hj 19 123C 0 -13,-1.2 -13,-1.9 -2,-0.7 2,-0.4 -0.790 30.2-125.5-116.0 168.5 28.0 56.3 53.3 33 30 A V E -Hj 18 124C 14 90,-1.4 92,-3.7 -2,-0.3 2,-0.6 -0.914 19.3-133.6-114.8 133.1 29.5 59.3 51.5 34 31 A F E - j 0 125C 2 -17,-0.6 2,-0.4 -2,-0.4 92,-0.2 -0.858 31.5-169.6 -91.2 115.8 27.3 62.2 50.3 35 32 A D E > - j 0 126C 9 90,-2.8 92,-2.7 -2,-0.6 3,-1.5 -0.855 30.4-175.1-127.2 104.1 28.3 62.9 46.7 36 33 A T T 3 S+ 0 0 3 -2,-0.4 160,-0.4 1,-0.3 93,-0.1 0.104 86.9 66.5 -77.2 23.6 27.4 65.9 44.5 37 34 A G T 3 S+ 0 0 40 1,-0.2 2,-0.3 91,-0.1 -1,-0.3 0.211 106.3 41.4-122.7 9.2 29.3 64.3 41.5 38 35 A S < - 0 0 16 -3,-1.5 90,-2.1 87,-0.1 89,-0.6 -0.989 58.7-153.1-156.0 155.0 26.8 61.4 41.3 39 36 A S + 0 0 2 -2,-0.3 101,-0.3 93,-0.2 2,-0.2 0.428 66.3 87.6-116.1 4.7 23.1 60.6 41.5 40 37 A N - 0 0 8 99,-0.1 86,-1.1 92,-0.1 2,-0.2 -0.627 57.2-144.5-105.8 156.5 23.1 57.0 42.7 41 38 A V E +K 125 0C 3 63,-0.4 2,-0.2 84,-0.2 84,-0.2 -0.671 26.2 161.5-105.3 167.2 23.2 55.0 46.0 42 39 A W E -K 124 0C 0 82,-1.0 82,-1.0 -2,-0.2 65,-0.2 -0.829 11.2-177.5-179.4 142.5 25.0 51.6 46.4 43 40 A V E -m 107 0D 0 63,-2.3 65,-0.7 -2,-0.2 18,-0.2 -0.964 43.6 -76.4-152.3 137.9 26.2 49.6 49.4 44 41 A P E -m 108 0D 0 0, 0.0 17,-4.2 0, 0.0 2,-0.4 0.192 50.5-128.9 -37.4 141.5 28.1 46.4 49.6 45 42 A S B > -n 61 0E 0 63,-2.5 3,-2.0 15,-0.3 17,-0.2 -0.731 14.6-139.4-101.7 149.8 26.1 43.2 48.9 46 43 A S T 3 S+ 0 0 19 15,-2.6 -1,-0.2 -2,-0.4 16,-0.1 0.977 111.1 61.6 -58.8 -47.6 25.7 40.0 50.8 47 44 A K T 3 S+ 0 0 98 14,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.549 82.4 121.4 -54.4 -4.6 25.9 38.5 47.3 48 45 A a S < S- 0 0 0 -3,-2.0 62,-0.1 60,-0.2 61,-0.1 -0.469 72.3-106.7 -74.5 133.7 29.5 40.0 47.0 49 46 A S > - 0 0 60 60,-1.0 3,-1.8 -2,-0.2 6,-0.2 -0.254 17.4-142.2 -54.8 128.5 32.5 37.6 46.2 50 46AA R T 3 S+ 0 0 123 1,-0.3 -1,-0.2 5,-0.1 6,-0.2 0.618 96.8 81.2 -73.7 -2.7 34.6 37.3 49.3 51 46BA L T 3 S+ 0 0 163 1,-0.1 2,-0.8 4,-0.1 -1,-0.3 0.532 76.5 82.2 -75.4 -2.2 37.5 37.3 46.9 52 47 A Y S X> S- 0 0 65 -3,-1.8 3,-1.6 1,-0.2 4,-1.0 -0.906 73.9-159.7-101.1 94.4 36.9 41.1 47.1 53 48 A T H >> S+ 0 0 61 -2,-0.8 4,-2.8 1,-0.3 3,-1.1 0.860 89.8 61.6 -48.7 -35.9 38.7 42.0 50.2 54 49 A A H 34 S+ 0 0 0 57,-0.6 -1,-0.3 1,-0.3 4,-0.2 0.833 103.0 52.6 -58.1 -32.5 36.6 45.2 50.4 55 50 A a H <4 S+ 0 0 1 -3,-1.6 -1,-0.3 56,-0.3 -2,-0.2 0.687 110.3 45.6 -76.9 -23.5 33.6 42.9 50.7 56 51 A V H << S+ 0 0 83 -3,-1.1 -2,-0.2 -4,-1.0 -1,-0.2 0.828 116.9 49.3 -81.0 -39.1 35.3 41.0 53.5 57 52 A Y S < S+ 0 0 165 -4,-2.8 -2,-0.2 -5,-0.2 2,-0.2 0.222 107.4 49.3 -87.3 13.3 36.2 44.5 55.0 58 53 A H S S- 0 0 36 -4,-0.2 2,-0.6 -3,-0.2 64,-0.1 -0.679 92.0 -80.1-135.1-168.4 32.9 46.4 55.0 59 54 A K - 0 0 97 -2,-0.2 2,-0.3 -28,-0.1 -2,-0.1 -0.870 44.9-151.5-100.0 123.9 29.3 46.1 56.0 60 55 A L - 0 0 30 -2,-0.6 2,-0.4 -5,-0.1 -15,-0.3 -0.668 13.6-122.3 -93.1 145.6 27.3 44.1 53.5 61 56 A F B -n 45 0E 0 -17,-4.2 -15,-2.6 -2,-0.3 2,-0.5 -0.768 22.6-163.4 -86.3 132.4 23.6 44.5 52.9 62 57 A D > - 0 0 57 -2,-0.4 3,-1.2 -17,-0.2 -17,-0.1 -0.943 6.2-169.6-117.7 102.0 21.6 41.2 53.4 63 58 A A G > S+ 0 0 9 -2,-0.5 3,-1.6 1,-0.3 6,-0.3 0.667 79.7 71.9 -61.8 -26.0 18.2 41.5 51.7 64 59 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.381 96.4 54.2 -72.8 0.2 17.0 38.2 53.4 65 60 A D G < S+ 0 0 93 -3,-1.2 2,-0.5 1,-0.1 -1,-0.3 -0.001 93.5 86.5-118.4 18.8 16.9 40.1 56.6 66 61 A S X - 0 0 10 -3,-1.6 3,-1.5 1,-0.1 -1,-0.1 -0.868 45.9-179.6-130.8 99.8 14.7 42.8 55.2 67 62 A S T 3 S+ 0 0 100 -42,-1.2 -1,-0.1 -2,-0.5 -4,-0.0 0.699 86.4 62.6 -65.2 -20.7 11.0 42.4 55.2 68 63 A S T 3 S+ 0 0 20 -43,-0.6 2,-0.3 -3,-0.1 -1,-0.2 0.427 84.4 115.1 -87.5 8.9 10.8 45.8 53.5 69 64 A Y < - 0 0 54 -3,-1.5 2,-0.6 -6,-0.3 23,-0.2 -0.593 45.0-165.0 -92.9 131.8 12.7 44.7 50.3 70 65 A K - 0 0 117 21,-2.3 21,-0.2 -2,-0.3 -3,-0.0 -0.801 23.1-131.2-120.8 102.7 11.7 44.4 46.7 71 66 A H + 0 0 145 -2,-0.6 19,-0.2 19,-0.2 2,-0.1 -0.004 37.9 157.4 -40.2 128.2 13.9 42.4 44.3 72 67 A N - 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