Secondary structure calculation program - copyright by David Keith Smith, 1989 1fzvA.pdb 1FZV HORMONE/GROWTH FACTOR MOL_ID: 1; MOL_ID: 1; Sequence length - 100 A A K K hydrogen bonding Ooi's strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14 1 A 18 SER S 0 0 999.9 -39.1 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 5 2 A 19 SER S + 0 0 -87.1 10.1 179.8 106.9 999.9 73.7 0 0.0 4 -0.6 0 0.0 0 0.0 3 5 3 A 20 GLU E - 0 0 -97.1 117.7 -177.9 -156.6 57.7 145.0 0 0.0 0 0.0 0 0.0 0 0.0 4 6 4 A 21 VAL V - 0 0 -93.0 156.7 178.0 -100.7 21.8 122.2 2 -0.6 0 0.0 0 0.0 0 0.0 5 7 5 A 22 GLU E - 0 0 -72.3 144.8 178.2 -144.8 30.1 116.8 0 0.0 7 -0.5 0 0.0 0 0.0 4 10 6 A 23 VAL V - 0 0 -113.7 123.5 178.6 -133.7 11.7 164.0 0 0.0 0 0.0 0 0.0 0 0.0 4 13 7 A 24 VAL V - 0 0 -76.9 119.0 -179.5 -120.0 33.8 132.7 5 -0.5 0 0.0 0 0.0 0 0.0 6 13 8 A 25 PRO P h > > T - 0 0 -59.6 145.0 178.9 -110.7 19.3 103.5 0 0.0 12 -2.5 0 0.0 11 -0.8 6 12 9 A 26 PHE F H H > 3 TS+ 0 0 -42.0 -48.5 -178.8 55.4 116.2 33.7 0 0.0 13 -3.0 0 0.0 0 0.0 6 13 10 A 27 GLN Q H H > 3 TS+ 0 0 -57.4 -43.5 179.8 44.2 111.3 24.8 0 0.0 14 -2.5 0 0.0 0 0.0 6 14 11 A 28 GLU E H H > < TS+ 0 0 -66.8 -46.5 -180.0 51.6 112.6 18.9 8 -0.8 15 -3.0 0 0.0 0 0.0 8 15 12 A 29 VAL V H H X TS+ 0 0 -53.1 -55.9 -179.2 44.1 113.9 15.8 8 -2.5 16 -1.9 0 0.0 0 0.0 9 18 13 A 30 TRP W H H X TS+ 0 0 -56.7 -46.0 -179.2 47.8 115.1 26.3 9 -3.0 17 -0.6 0 0.0 0 0.0 8 21 14 A 31 GLY G H H < TS+ 0 0 -65.8 -36.8 -179.5 54.0 109.0 30.0 10 -2.5 0 0.0 0 0.0 0 0.0 7 23 15 A 32 ARG R H H < TS+ 0 0 -66.3 -37.3 -179.2 35.5 117.3 30.9 11 -3.0 0 0.0 0 0.0 0 0.0 6 25 16 A 33 SER S H H < TS+ 0 0 -99.8 5.2 179.5 114.6 91.1 68.7 12 -1.9 52 -1.7 0 0.0 0 0.0 9 30 17 A 34 TYR Y B h < a TS- 52 0 -80.1 137.8 177.8 -61.9 86.6 127.0 13 -0.6 0 0.0 0 0.0 0 0.0 10 31 18 A 35 CYS C S S S+ 0 0 -14.2 119.6 177.8 140.1 76.7 70.5 52 -1.4 0 0.0 0 0.0 0 0.0 15 40 19 A 36 ARG R E E AA - 50 0 -164.8 167.1 179.3 -86.4 60.7 171.6 50 -2.5 50 -2.9 0 0.0 21 -0.9 13 36 20 A 37 ALA A E E AA - 49 0 -80.1 107.1 -178.6 -177.0 56.6 138.8 0 0.0 0 0.0 0 0.0 0 0.0 13 37 21 A 38 LEU L E E AA - 48 0 -117.1 133.7 177.7 -113.0 31.1 160.2 48 -2.3 48 -2.3 19 -0.9 0 0.0 8 34 22 A 39 GLU E E E AA + 47 0 -60.0 128.4 180.0 173.8 44.9 113.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31 23 A 40 ARG R E E AA - 46 0 -137.3 149.6 178.7 -124.5 33.0 167.6 46 -2.9 46 -2.6 0 0.0 25 -0.7 8 28 24 A 41 LEU L E E AA - 45 0 -99.1 119.3 -177.2 -172.7 36.4 149.4 0 0.0 0 0.0 0 0.0 0 0.0 8 27 25 A 42 VAL V E E AA - 44 0 -118.0 149.7 178.9 -107.1 29.8 150.4 44 -3.2 44 -2.7 23 -0.7 0 0.0 10 33 26 A 43 ASP D E E >AA T - 43 0 -70.6 125.5 -180.0 -143.6 25.5 122.3 0 0.0 30 -0.8 0 0.0 0 0.0 9 34 27 A 44 VAL V T e 4 > TS+ 0 0 -55.9 -50.2 -179.4 51.5 99.8 22.2 42 -2.5 30 -1.5 0 0.0 0 0.0 10 40 28 A 45 VAL V G G 4 > TS+ 0 0 -57.0 -38.3 178.9 60.5 103.5 27.7 0 0.0 31 -1.8 0 0.0 0 0.0 11 33 29 A 46 SER S G G 4 3 TS+ 0 0 -61.4 -23.4 179.1 62.5 95.5 43.5 0 0.0 0 0.0 0 0.0 0 0.0 7 28 30 A 47 GLU E G G < < TS+ 0 0 -78.7 -10.4 179.2 94.0 86.1 55.7 27 -1.5 0 0.0 26 -0.8 0 0.0 8 35 31 A 48 TYR Y S g < TS- 0 0 -86.0 142.6 -180.0 -129.3 80.5 131.3 28 -1.8 0 0.0 0 0.0 0 0.0 8 21 32 A 49 PRO P S S S+ 0 0 -49.9 -58.4 -178.7 20.0 87.4 20.8 0 0.0 0 0.0 0 0.0 0 0.0 5 15 33 A 50 SER S S S S- 0 0 -107.8 178.8 175.5 -56.4 108.4 118.4 0 0.0 0 0.0 0 0.0 0 0.0 4 11 34 A 51 GLU E + 0 0 -53.9 142.7 179.7 173.7 56.8 104.9 0 0.0 0 0.0 0 0.0 0 0.0 6 13 35 A 52 VAL V - 0 0 -155.7 128.3 -179.0 -100.9 36.9 156.3 0 0.0 0 0.0 0 0.0 0 0.0 6 21 36 A 53 GLU E - 0 0 -56.9 141.9 -179.8 -108.7 36.5 102.0 0 0.0 38 -2.3 0 0.0 0 0.0 6 24 37 A 54 HIS H S S S+ 0 0 -73.4 71.8 -179.3 134.2 70.4 116.6 0 0.0 0 0.0 0 0.0 0 0.0 6 28 38 A 55 MET M e + 0 0 -116.0 40.8 179.7 109.1 34.5 101.0 36 -2.3 75 -2.8 0 0.0 0 0.0 9 32 39 A 56 PHE F E E BB - 74 0 -122.7 143.8 178.3 -128.9 58.2 158.1 0 0.0 0 0.0 0 0.0 0 0.0 11 37 40 A 57 SER S E E BB S+ 73 0 -137.2 122.0 -0.9 29.1 100.8 170.5 73 -2.2 73 -3.2 0 0.0 0 0.0 9 31 41 A 58 PRO P S S S- 0 0 -66.1 162.6 -178.6 -152.0 86.6 49.0 0 0.0 0 0.0 0 0.0 0 0.0 7 30 42 A 59 SER S S e S+ 0 0 -79.8 -13.4 -177.8 42.7 78.9 50.5 0 0.0 27 -2.5 0 0.0 0 0.0 10 33 43 A 60 CYS C E E AA - 26 0 -134.4 146.3 179.9 -161.8 69.3 163.9 0 0.0 0 0.0 0 0.0 0 0.0 9 34 44 A 61 VAL V E E AA - 25 0 -127.8 161.4 -179.9 -109.8 25.4 150.9 25 -2.7 25 -3.2 0 0.0 46 -0.7 9 37 45 A 62 SER S E E AA + 24 0 -95.6 114.3 179.8 163.4 45.1 147.0 0 0.0 0 0.0 0 0.0 0 0.0 8 35 46 A 63 LEU L E E AA - 23 0 -127.6 155.0 177.8 -112.9 42.0 154.2 23 -2.6 23 -2.9 44 -0.7 48 -0.6 12 38 47 A 64 LEU L E E AA + 22 0 -89.8 123.9 179.7 177.3 42.9 144.8 0 0.0 91 -2.1 0 0.0 0 0.0 11 39 48 A 65 ARG R E E AA - 21 0 -131.4 136.2 178.6 -106.0 36.0 174.4 21 -2.3 21 -2.3 46 -0.6 0 0.0 12 42 49 A 66 CYS C E E AA + 20 0 -60.0 124.5 -179.4 161.8 52.8 114.1 0 0.0 0 0.0 0 0.0 0 0.0 14 38 50 A 67 THR T E E AA + 19 0 -146.5 151.6 178.7 89.5 11.1 174.6 19 -2.9 19 -2.5 0 0.0 0 0.0 11 39 51 A 68 GLY G - 0 0 141.8 160.6 178.8 -96.3 60.3 133.1 0 0.0 60 -0.6 0 0.0 0 0.0 10 35 52 A 69 CYS C B B a - 17 0 -100.9 166.4 -176.8 -152.8 23.4 127.5 16 -1.7 18 -1.4 0 0.0 0 0.0 9 31 53 A 70 CYS C - 0 0 -120.5 -8.9 179.5 -128.2 24.5 54.9 0 0.0 0 0.0 0 0.0 0 0.0 11 29 54 A 71 GLY G S S S+ 0 0 87.3 -35.3 178.8 91.8 87.5 92.4 0 0.0 56 -0.7 0 0.0 0 0.0 5 25 55 A 72 ASP D S t > TS- 0 0 -97.0 113.4 -179.1 -143.3 75.0 150.3 0 0.0 58 -2.9 0 0.0 0 0.0 6 20 56 A 73 GLU E T T 3 TS+ 0 0 -41.0 -51.6 -179.1 50.3 99.7 32.1 54 -0.7 0 0.0 0 0.0 0 0.0 6 16 57 A 74 ASN N T e 3 TS+ 0 0 -74.5 5.8 179.7 84.0 101.7 68.7 0 0.0 99 -2.3 0 0.0 0 0.0 6 17 58 A 75 LEU L E E B C< T + 0 98 -113.2 146.9 177.6 174.9 52.2 149.0 55 -2.9 0 0.0 0 0.0 0 0.0 11 23 59 A 76 HIS H E E B C - 0 97 -144.3 161.1 -177.2 -90.9 38.2 163.6 97 -2.1 97 -2.5 0 0.0 0 0.0 14 28 60 A 77 CYS C E E B C + 0 96 -80.7 122.6 -178.1 168.7 48.7 127.8 51 -0.6 0 0.0 0 0.0 0 0.0 15 37 61 A 78 VAL V E E B C - 0 95 -133.1 154.9 179.4 -101.5 36.4 157.1 95 -2.9 95 -3.1 0 0.0 0 0.0 11 35 62 A 79 PRO P E E B C - 0 94 -75.7 143.6 175.2 -178.6 23.7 121.2 0 0.0 0 0.0 0 0.0 0 0.0 12 34 63 A 80 VAL V E E B * S+ 0 0 -115.3 -3.2 178.9 26.9 80.3 71.7 93 -3.0 0 0.0 0 0.0 0 0.0 8 26 64 A 81 GLU E E E B C - 0 93 -161.3 131.0 179.9 -178.1 67.8 156.4 93 -1.3 93 -1.6 0 0.0 92 -1.4 8 25 65 A 82 THR T E E B C + 0 91 -126.6 164.7 179.3 170.8 4.2 147.2 0 0.0 0 0.0 0 0.0 0 0.0 10 27 66 A 83 ALA A E E B C - 0 90 -149.2 -155.4 -177.4 -97.5 27.4 131.7 90 -2.7 90 -1.9 0 0.0 0 0.0 8 25 67 A 84 ASN N E E B C - 0 89 -141.3 153.5 175.3 -168.1 16.7 165.0 0 0.0 0 0.0 0 0.0 0 0.0 8 25 68 A 85 VAL V E E B C - 0 88 -142.9 129.1 -179.2 -150.8 13.5 170.0 88 -1.9 88 -3.4 0 0.0 70 -0.5 8 28 69 A 86 THR T E E B C - 0 87 -105.2 123.8 -177.7 -174.1 19.6 155.9 0 0.0 0 0.0 0 0.0 0 0.0 8 24 70 A 87 MET M E E B C - 0 86 -120.5 148.0 178.3 -129.4 23.2 156.7 86 -2.9 86 -3.0 68 -0.5 72 -0.6 8 32 71 A 88 GLN Q E E B C + 0 85 -97.3 118.2 179.0 171.1 36.7 148.1 0 0.0 0 0.0 0 0.0 0 0.0 8 26 72 A 89 LEU L E E B C - 0 84 -122.5 169.1 178.4 -108.1 36.5 141.8 84 -2.6 84 -2.9 70 -0.6 74 -0.6 11 31 73 A 90 LEU L E E BBC - 40 83 -98.8 121.3 177.6 -152.4 28.0 149.3 40 -3.2 40 -2.2 0 0.0 75 -0.6 11 29 74 A 91 LYS K E E BBC - 39 82 -96.5 124.6 -177.4 -178.6 14.5 150.1 82 -3.4 82 -2.1 72 -0.6 0 0.0 11 29 75 A 92 ILE I e + 0 0 -124.9 80.3 -178.5 178.3 4.6 137.9 38 -2.8 0 0.0 73 -0.6 0 0.0 11 25 76 A 93 ARG R t > T - 0 0 -89.5 137.3 179.2 -113.0 39.4 132.5 0 0.0 79 -2.4 0 0.0 78 -1.6 9 21 77 A 94 SER S T T 3 TS+ 0 0 -66.6 92.1 -179.9 31.3 111.3 119.5 0 0.0 0 0.0 0 0.0 0 0.0 5 15 78 A 95 GLY G T T 3 TS+ 0 0 142.1 -11.9 -179.8 68.6 109.4 76.4 76 -1.6 0 0.0 0 0.0 0 0.0 4 12 79 A 96 ASP D S t < TS- 0 0 -128.9 166.4 178.2 -97.3 84.8 147.4 76 -2.4 0 0.0 0 0.0 0 0.0 6 15 80 A 97 ARG R - 0 0 -81.9 144.9 179.8 -87.7 56.9 127.1 0 0.0 0 0.0 0 0.0 0 0.0 6 15 81 A 98 PRO P + 0 0 -49.4 145.9 -178.9 177.9 56.6 98.4 0 0.0 0 0.0 0 0.0 0 0.0 8 20 82 A 99 SER S E E BC - 74 0 -154.3 141.4 177.6 -117.1 28.9 169.6 74 -2.1 74 -3.4 0 0.0 0 0.0 7 20 83 A 100 TYR Y E E BC - 73 0 -81.9 142.1 179.6 -176.4 33.5 127.1 0 0.0 0 0.0 0 0.0 0 0.0 8 21 84 A 101 VAL V E E BC - 72 0 -134.4 157.2 179.5 -128.1 24.0 158.5 72 -2.9 72 -2.6 0 0.0 86 -0.6 8 26 85 A 102 GLU E E E BC - 71 0 -109.8 120.3 -179.2 -174.0 27.5 158.7 0 0.0 0 0.0 0 0.0 0 0.0 8 24 86 A 103 LEU L E E BC - 70 0 -118.2 135.2 178.7 -144.2 16.4 160.1 70 -3.0 70 -2.9 84 -0.6 88 -0.5 8 35 87 A 104 THR T E E BC - 69 0 -98.0 128.4 -179.3 -169.9 22.6 146.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31 88 A 105 PHE F E E BC - 68 0 -114.9 157.3 177.2 -102.5 25.6 146.7 68 -3.4 68 -1.9 86 -0.5 0 0.0 10 35 89 A 106 SER S E E BC - 67 0 -82.7 135.3 177.6 -162.9 32.2 128.0 0 0.0 0 0.0 0 0.0 0 0.0 9 39 90 A 107 GLN Q E E BC - 66 0 -115.7 139.7 176.5 -143.1 13.8 158.8 66 -1.9 66 -2.7 0 0.0 92 -0.7 11 34 91 A 108 HIS H E E BC + 65 0 -104.1 104.8 -178.4 178.2 21.1 155.2 47 -2.1 0 0.0 0 0.0 0 0.0 14 35 92 A 109 VAL V E E B* + 0 0 -77.1 -37.0 -179.6 12.5 64.5 34.3 64 -1.4 0 0.0 90 -0.7 0 0.0 12 28 93 A 110 ARG R E E BC - 64 0 -145.8 140.6 -177.5 -164.1 67.7 175.3 64 -1.6 63 -3.0 0 0.0 64 -1.3 11 29 94 A 111 CYS C E E BC - 62 0 -127.8 159.0 178.4 -179.7 6.9 151.3 0 0.0 0 0.0 0 0.0 0 0.0 14 36 95 A 112 GLU E E E BC - 61 0 -152.5 154.4 177.3 -103.1 34.5 170.8 61 -3.1 61 -2.9 0 0.0 0 0.0 10 34 96 A 113 CYS C E E BC + 60 0 -81.0 130.2 -179.8 162.5 50.5 132.9 0 0.0 0 0.0 0 0.0 0 0.0 10 32 97 A 114 ARG R E E BC - 59 0 -143.0 169.6 178.9 -68.0 44.2 165.8 59 -2.5 59 -2.1 0 0.0 0 0.0 8 26 98 A 115 PRO P E E BC - 58 0 -56.7 107.0 176.6 -142.6 48.1 102.5 0 0.0 0 0.0 0 0.0 0 0.0 7 19 99 A 116 LEU L e 0 0 -63.3 -176.5 178.8 999.9 999.9 93.4 57 -2.3 0 0.0 0 0.0 0 0.0 6 22 100 A 117 ARG R 0 0 -162.9 999.9 999.9 999.9 999.9 164.8 0 0.0 0 0.0 0 0.0 0 0.0 2 11 1fzvA.pdb 1FZV HORMONE/GROWTH FACTOR MOL_ID: 1; MOL_ID: 1; author author Kabs/Sand HHHHHHHHBSEEEEEEEETGGGSSS S EESSEEEEEEEE B SSTTEEEEEEEEEEEEEEEEE TTS EEEEEEEEEEEEEEEEE Kabs/Sand chirality +------++++++++-+---+----++++-+-+--++-+-+--+-+-++---+-+++-+--+-+-----+---+-++--+---------++---+-- chirality bends SSSSSSSSSS SSSSSSS S SSS SSSS S SSS bends turns TTTTTTTTTT TTTTTT TTTT TTTT turns 5-turns 5-turns 3-turns >33< >>3<< >33< >33< 3-turns bridge-2 CCCCC*CCCCCCCCCCC bridge-2 bridge-1 a AAAAAAAA BB AAAAAAAA a BB CCCCCCCCCC*CCCCCC bridge-1 sheets AAAAAAAA BB AAAAAAAA BBBBBBBBBBBBBBBBB BBBBBBBBBBBBBBBBB sheets 4-turns >>>>XX<<<< >444< 4-turns summary hHHHHHHHHhSEEEEEEEEeGGGgSS SeEESeEEEEEEEE B StTeEEEEEEEEEEEEEEEEEetTTt EEEEEEEEEEEEEEEEEe summary sequence SSEVEVVPFQEVWGRSYCRALERLVDVVSEYPSEVEHMFSPSCVSLLRCTGCCGDENLHCVPVETANVTMQLLKIRSGDRPSYVELTFSQHVRCECRPLR sequence 10 20 30 40 50 60 70 80 90 100