==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-MAY-07 2V0Z . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.RAHUEL,V.RASETTI,J.MAIBAUM,H.RUEGER,R.GOSCHKE,N.C.COHEN, . 674 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27970.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 71.2 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 . 208 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 74 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 8.6 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+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 2 2 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 . 6 9 4 8 7 3 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 . 2 2 1 0 3 0 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 -5 C L 0 0 117 0, 0.0 2,-0.6 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 117.8 7.0 35.4 42.7 2 -4 C T - 0 0 99 146,-0.5 151,-0.2 0, 0.0 2,-0.2 -0.971 360.0-159.3-115.8 115.8 10.3 35.3 40.9 3 -3 C L + 0 0 58 -2,-0.6 151,-0.3 1,-0.1 2,-0.1 -0.531 13.1 179.9 -89.0 164.0 13.1 33.6 42.9 4 -2 C G - 0 0 24 149,-2.1 149,-0.2 2,-0.2 148,-0.2 -0.292 41.0 -87.8-132.8-137.0 16.8 34.2 42.1 5 -1 C N S S+ 0 0 120 147,-0.7 148,-0.2 -2,-0.1 2,-0.1 0.458 83.9 102.5-124.8 -13.1 20.3 33.2 43.3 6 0 C T B +a 153 0A 47 146,-2.7 148,-3.4 148,-0.0 149,-0.4 -0.435 34.6 171.2 -85.7 148.5 20.9 35.8 46.0 7 1 C T - 0 0 75 146,-0.2 2,-0.3 -2,-0.1 171,-0.2 -0.937 16.3-163.8-144.7 139.8 20.8 35.7 49.8 8 2 C S E -B 177 0B 24 169,-1.9 169,-3.9 -2,-0.3 2,-0.4 -0.969 3.9-150.3-129.8 149.5 22.0 38.7 51.8 9 3 C S E -B 176 0B 50 -2,-0.3 2,-0.5 167,-0.3 167,-0.2 -0.926 2.6-155.2-122.8 146.7 23.0 38.9 55.5 10 4 C V E -B 175 0B 8 165,-2.5 165,-2.2 -2,-0.4 2,-0.5 -0.985 19.5-135.6-117.7 124.9 22.8 41.8 57.9 11 5 C I E -B 174 0B 103 -2,-0.5 12,-0.4 163,-0.2 2,-0.3 -0.709 24.9-151.7 -80.8 129.5 25.2 41.7 60.9 12 6 C L E -B 173 0B 1 161,-2.7 161,-1.1 -2,-0.5 160,-0.9 -0.734 7.8-134.5-105.0 156.4 23.4 42.6 64.1 13 7 C T E -G 21 0C 68 8,-3.4 8,-1.7 -2,-0.3 2,-0.7 -0.828 15.6-142.8-104.8 139.0 24.6 44.2 67.2 14 8 C N E -G 20 0C 12 -2,-0.4 2,-0.8 6,-0.2 6,-0.2 -0.912 11.3-165.0-107.0 108.7 23.5 42.7 70.6 15 9 C Y E >> S-G 19 0C 77 4,-3.1 3,-2.6 -2,-0.7 4,-1.9 -0.861 71.4 -41.3 -95.5 109.3 22.9 45.3 73.3 16 10 C M T 34 S- 0 0 113 -2,-0.8 -1,-0.2 1,-0.3 4,-0.1 0.655 100.7 -73.4 45.9 31.3 22.7 43.6 76.7 17 11 C D T 34 S+ 0 0 10 2,-0.2 -1,-0.3 148,-0.1 3,-0.1 0.604 128.7 80.1 63.7 12.5 20.7 40.7 75.4 18 12 C T T <4 S+ 0 0 31 -3,-2.6 2,-0.4 1,-0.3 -2,-0.2 0.609 86.6 44.9-120.6 -20.6 17.6 43.0 75.1 19 13 C Q E < -G 15 0C 26 -4,-1.9 -4,-3.1 210,-0.1 2,-0.5 -0.979 57.1-177.7-131.9 119.7 18.1 44.9 71.9 20 14 C Y E +G 14 0C 9 -2,-0.4 17,-0.4 206,-0.2 2,-0.3 -0.980 20.1 152.3-116.7 124.2 19.2 43.4 68.6 21 15 C Y E -G 13 0C 16 -8,-1.7 -8,-3.4 -2,-0.5 15,-0.2 -0.971 22.3-165.3-148.1 160.7 19.6 45.8 65.6 22 16 C G E -H 35 0D 4 13,-2.7 13,-2.9 -2,-0.3 2,-0.3 -0.620 30.3 -88.7-129.9-163.0 21.5 46.2 62.4 23 17 C E E +H 34 0D 105 -12,-0.4 77,-0.4 11,-0.2 2,-0.3 -0.819 29.8 178.7-122.6 150.7 22.2 49.0 60.0 24 18 C I E -H 33 0D 3 9,-1.8 9,-2.3 -2,-0.3 2,-0.4 -0.957 20.5-136.9-140.7 154.6 20.6 50.4 56.9 25 19 C G E -HI 32 98D 4 73,-1.7 73,-2.2 -2,-0.3 2,-0.4 -0.936 18.9-166.7-113.6 139.6 21.4 53.4 54.6 26 20 C I E > -HI 31 97D 0 5,-2.5 5,-1.6 -2,-0.4 71,-0.2 -0.995 45.1 -7.2-131.4 130.9 18.8 55.8 53.4 27 21 C G T 5S- 0 0 3 69,-2.3 42,-0.1 -2,-0.4 68,-0.1 -0.158 93.2 -36.4 86.7-179.4 19.0 58.4 50.7 28 22 C T T 5S+ 0 0 51 2,-0.1 42,-2.0 1,-0.1 43,-0.2 -0.985 135.1 23.2-131.1 114.2 21.8 59.7 48.5 29 23 C P T 5S- 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.708 119.9-102.5 -68.0 165.3 24.4 60.0 49.9 30 24 C P T 5 - 0 0 86 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.253 26.2-156.3 -63.1 139.2 23.4 57.3 52.5 31 25 C Q E < -H 26 0D 23 -5,-1.6 -5,-2.5 -4,-0.1 2,-0.3 -0.988 24.3-139.8-111.1 119.1 22.3 58.4 55.9 32 26 C T E -H 25 0D 55 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.653 22.3-177.1 -86.8 144.6 22.9 55.4 58.2 33 27 C F E -H 24 0D 2 -9,-2.3 -9,-1.8 -2,-0.3 2,-0.5 -0.980 28.1-125.9-140.5 147.8 20.5 54.2 60.9 34 28 C K E -H 23 0D 78 -2,-0.3 91,-2.4 -11,-0.2 92,-2.4 -0.849 42.4-179.6 -90.1 125.2 20.5 51.5 63.6 35 29 C V E -Hj 22 126D 0 -13,-2.9 -13,-2.7 -2,-0.5 2,-0.4 -0.974 31.1-131.4-136.3 148.4 17.2 49.6 63.2 36 30 C V E - j 0 127D 12 90,-1.6 92,-3.0 -2,-0.3 2,-1.0 -0.777 21.7-138.3 -91.3 132.6 15.4 46.6 64.7 37 31 C F E - j 0 128D 4 -2,-0.4 2,-0.7 -17,-0.4 92,-0.2 -0.883 31.7-166.2 -95.1 100.3 14.1 44.1 62.2 38 32 C D E > - j 0 129D 13 90,-1.7 92,-2.3 -2,-1.0 3,-1.8 -0.816 29.9-175.5-101.6 105.2 10.8 43.6 63.8 39 33 C T T 3 S+ 0 0 4 -2,-0.7 161,-0.5 1,-0.3 93,-0.2 0.594 83.5 74.7 -71.7 -6.7 8.6 40.7 62.7 40 34 C G T 3 S+ 0 0 34 91,-0.1 -1,-0.3 159,-0.1 2,-0.3 0.606 106.0 21.3 -79.7 -12.9 6.0 42.1 65.1 41 35 C S < - 0 0 13 -3,-1.8 90,-2.8 87,-0.1 89,-0.4 -0.900 62.9-138.2-144.2 179.5 5.1 45.0 62.7 42 36 C S + 0 0 2 93,-0.5 2,-0.3 -2,-0.3 101,-0.2 0.302 64.8 92.5-130.2 11.4 5.3 45.9 59.0 43 37 C N - 0 0 8 92,-0.1 86,-1.7 99,-0.1 2,-0.4 -0.759 58.9-140.4-109.0 154.0 6.4 49.6 58.6 44 38 C V E +K 128 0D 3 63,-0.4 65,-2.7 -2,-0.3 2,-0.3 -0.895 33.7 160.2-106.2 136.0 9.8 51.0 58.2 45 39 C W E -Kl 127 109D 0 82,-2.3 82,-2.0 -2,-0.4 65,-0.2 -0.984 18.8-177.1-155.1 151.6 10.5 54.3 60.1 46 40 C V E - l 0 110D 0 63,-2.1 65,-2.6 -2,-0.3 80,-0.1 -0.960 45.0 -84.7-142.7 155.2 13.4 56.4 61.4 47 41 C P E - l 0 111D 0 0, 0.0 17,-3.2 0, 0.0 2,-0.3 -0.353 50.1-130.8 -60.4 147.1 13.5 59.7 63.4 48 42 C S B > -o 64 0E 0 63,-2.9 3,-1.8 15,-0.3 17,-0.2 -0.744 13.7-128.4-102.3 153.8 13.1 62.8 61.2 49 43 C S T 3 S+ 0 0 27 15,-2.9 16,-0.1 -2,-0.3 -1,-0.1 0.616 112.2 64.3 -70.2 -10.9 15.1 66.0 61.1 50 44 C K T 3 S+ 0 0 108 14,-0.3 2,-0.4 61,-0.1 -1,-0.3 0.385 74.4 115.1 -91.4 1.0 11.7 67.6 61.4 51 45 C a S < S- 0 0 1 -3,-1.8 62,-0.1 60,-0.2 61,-0.1 -0.615 78.5-107.8 -73.2 125.0 11.1 66.1 64.9 52 46 C S > - 0 0 53 60,-0.8 3,-2.0 -2,-0.4 6,-0.3 -0.254 17.4-132.4 -51.4 136.4 10.9 68.9 67.6 53 47 C R T 3 S+ 0 0 134 1,-0.3 -1,-0.2 5,-0.1 6,-0.2 0.522 101.8 80.3 -71.1 -4.0 14.0 68.9 69.7 54 47AC L T 3 S+ 0 0 158 1,-0.1 2,-1.0 4,-0.1 -1,-0.3 0.612 76.0 78.7 -74.1 -16.4 11.6 69.1 72.7 55 47BC Y S X> S- 0 0 77 -3,-2.0 3,-1.5 1,-0.2 4,-0.7 -0.865 77.1-159.6 -88.8 101.8 11.3 65.3 72.1 56 48 C T H >> S+ 0 0 69 -2,-1.0 4,-1.7 1,-0.3 3,-0.7 0.797 86.9 67.0 -56.7 -28.4 14.5 64.4 73.9 57 49 C A H 3> S+ 0 0 0 57,-0.5 4,-0.5 1,-0.2 -1,-0.3 0.866 98.7 53.6 -60.4 -32.5 14.6 61.0 72.0 58 50 C a H <4 S+ 0 0 2 -3,-1.5 -1,-0.2 56,-0.3 -2,-0.2 0.750 104.2 54.1 -74.3 -22.1 15.1 63.1 68.9 59 51 C V H << S+ 0 0 82 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.837 112.4 45.1 -76.1 -33.5 18.1 64.8 70.5 60 52 C Y H < S+ 0 0 159 -4,-1.7 2,-0.3 2,-0.1 -2,-0.2 0.400 107.1 63.3 -93.4 0.0 19.7 61.4 71.2 61 53 C H S < S- 0 0 23 -4,-0.5 2,-0.3 -3,-0.2 64,-0.1 -0.807 89.1 -91.7-125.0 164.4 19.1 59.6 67.9 62 54 C K - 0 0 86 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.569 43.8-151.9 -70.2 132.0 20.2 59.8 64.2 63 55 C L - 0 0 31 -2,-0.3 2,-0.4 -17,-0.1 -15,-0.3 -0.923 11.8-124.5-112.4 137.0 17.6 61.9 62.3 64 56 C F B -o 48 0E 0 -17,-3.2 -15,-2.9 -2,-0.4 2,-0.7 -0.635 21.0-160.9 -80.2 128.3 16.8 61.6 58.6 65 57 C D > - 0 0 49 -2,-0.4 3,-2.1 -17,-0.2 4,-0.2 -0.882 9.3-169.3-114.4 99.7 17.2 64.8 56.7 66 58 C A G > S+ 0 0 6 -2,-0.7 3,-1.8 1,-0.3 6,-0.2 0.811 83.6 69.4 -53.0 -33.0 15.3 64.8 53.3 67 59 C S G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.511 98.1 50.1 -68.0 -5.0 17.1 68.0 52.3 68 60 C D G < S+ 0 0 103 -3,-2.1 2,-0.5 -39,-0.1 -1,-0.3 0.320 96.0 84.7-112.5 3.0 20.4 66.2 52.1 69 61 C S < - 0 0 14 -3,-1.8 3,-0.4 -4,-0.2 -42,-0.1 -0.943 51.1-171.3-114.1 123.9 19.1 63.4 49.9 70 62 C S S S+ 0 0 103 -42,-2.0 -1,-0.1 -2,-0.5 -4,-0.0 0.607 89.4 55.6 -84.9 -13.0 18.9 63.7 46.1 71 63 C S S S+ 0 0 29 -43,-0.2 -1,-0.2 25,-0.1 -44,-0.1 0.389 81.6 122.6 -98.3 0.9 16.9 60.4 45.7 72 64 C Y - 0 0 53 -3,-0.4 2,-0.4 -6,-0.2 23,-0.2 -0.362 43.0-164.7 -66.6 142.0 14.2 61.5 48.1 73 65 C K E -M 94 0D 125 21,-2.7 21,-1.9 -2,-0.1 2,-0.1 -0.991 17.5-129.6-132.8 121.5 10.6 61.5 46.9 74 66 C H E +M 93 0D 138 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.328 41.3 147.5 -71.0 144.8 7.9 63.4 48.9 75 67 C N E - 0 0 64 17,-0.8 18,-0.2 -2,-0.1 -1,-0.2 0.355 23.3-169.5-137.5 -61.2 4.6 61.9 50.0 76 68 C G E + 0 0 25 16,-3.3 17,-0.1 1,-0.2 2,-0.1 0.441 22.5 155.3 82.8 0.4 3.7 63.4 53.4 77 69 C T E - 0 0 79 15,-0.1 15,-2.4 14,-0.1 -1,-0.2 -0.418 49.1-111.5 -63.6 132.8 0.7 61.3 54.4 78 70 C E E -M 91 0D 157 13,-0.2 2,-0.3 -2,-0.1 13,-0.3 -0.325 38.4-172.4 -63.1 151.5 0.4 61.3 58.2 79 71 C L E -M 90 0D 11 11,-2.6 11,-2.3 31,-0.1 2,-0.4 -0.983 15.1-170.7-151.8 130.4 1.2 58.1 60.0 80 72 C T E -M 89 0D 48 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.997 9.2-161.0-124.8 125.3 0.8 56.9 63.6 81 73 C L E -M 88 0D 4 7,-3.2 7,-2.0 -2,-0.4 2,-0.7 -0.937 3.6-166.2-110.4 113.3 2.3 53.6 64.6 82 74 C R E +M 87 0D 195 -2,-0.6 2,-0.2 5,-0.2 5,-0.2 -0.869 9.7 179.9-103.2 104.5 1.0 52.1 67.8 83 75 C Y E > -M 86 0D 54 3,-2.8 3,-1.5 -2,-0.7 -42,-0.0 -0.648 44.9-101.8 -96.8 161.3 3.1 49.3 69.2 84 76 C S T 3 S+ 0 0 78 1,-0.3 219,-0.1 -2,-0.2 3,-0.1 0.689 120.8 31.1 -56.2 -19.3 2.2 47.4 72.4 85 77 C T T 3 S- 0 0 96 1,-0.3 2,-0.3 217,-0.0 -1,-0.3 0.321 128.3 -5.6-124.7 11.6 4.8 49.4 74.4 86 78 C G E < -M 83 0D 15 -3,-1.5 -3,-2.8 32,-0.1 2,-0.3 -0.929 57.0-124.6 172.1 165.9 4.9 52.8 72.7 87 79 C T E -M 82 0D 54 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.951 13.7-170.1-133.5 145.3 3.8 55.0 69.8 88 80 C V E -M 81 0D 0 -7,-2.0 -7,-3.2 -2,-0.3 2,-0.3 -0.974 8.1-167.9-130.8 150.5 5.5 57.1 67.2 89 81 C S E +MN 80 113D 19 24,-2.0 23,-2.6 -2,-0.3 24,-2.1 -0.977 27.6 107.1-140.7 149.6 4.0 59.5 64.8 90 82 C G E -MN 79 111D 5 -11,-2.3 -11,-2.6 -2,-0.3 2,-0.3 -0.892 56.4 -73.4 179.4-143.9 5.2 61.4 61.6 91 83 C F E -MN 78 110D 27 19,-1.8 19,-3.3 -13,-0.3 -13,-0.2 -0.926 42.1 -92.1-142.1 161.9 4.6 61.3 57.9 92 84 C L E + N 0 109D 13 -15,-2.4 -16,-3.3 -2,-0.3 -17,-0.8 -0.501 40.3 165.8 -79.4 144.4 5.5 59.1 54.8 93 85 C S E -MN 74 108D 0 15,-2.6 15,-2.7 -18,-0.2 2,-0.4 -0.894 22.7-137.9-146.1 166.0 8.5 59.7 52.6 94 86 C Q E +MN 73 107D 58 -21,-1.9 -21,-2.7 -2,-0.3 2,-0.3 -0.993 33.0 136.9-133.6 140.9 10.2 57.5 49.9 95 87 C D E - 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