Secondary structure calculation program - copyright by David Keith Smith, 1989
1jnuA.pdb
1JNU SIGNALING PROTEIN, ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 104
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 929 LYS K 0 0 999.9 176.3 177.8 999.9 999.9 999.9 0 0.0 3 -0.5 0 0.0 0 0.0 7 26
2 A 930 SER S E E AA + 101 0 -87.5 125.6 179.2 139.2 999.9 141.3 101 -0.5 101 -2.1 0 0.0 0 0.0 12 36
3 A 931 PHE F E E AA - 100 0 -162.3 159.9 178.7 -157.3 32.8 172.1 1 -0.5 19 -2.7 0 0.0 0 0.0 12 44
4 A 932 VAL V E E AAB - 99 18 -137.6 163.4 179.6 -138.1 13.2 157.4 99 -1.9 99 -2.4 0 0.0 0 0.0 13 51
5 A 933 ILE I E E AAB - 98 17 -126.8 126.9 178.9 -165.6 18.7 173.6 17 -2.8 16 -2.6 0 0.0 17 -1.5 12 46
6 A 934 THR T E E AAB - 97 15 -113.8 153.4 -179.5 -141.8 15.3 147.0 97 -2.6 97 -1.9 0 0.0 0 0.0 12 44
7 A 935 ASP D e > T - 0 0 -115.9 99.5 -179.6 -173.4 11.4 152.2 14 -1.9 10 -1.6 0 0.0 0 0.0 12 38
8 A 936 PRO P T T 3 TS+ 0 0 -68.9 -5.5 179.6 74.1 79.4 59.7 0 0.0 0 0.0 0 0.0 0 0.0 11 39
9 A 937 ARG R T T 3 TS+ 0 0 -88.3 2.0 177.8 74.9 88.8 65.6 0 0.0 0 0.0 0 0.0 0 0.0 6 28
10 A 938 LEU L S t X TS- 0 0 -108.5 160.2 -180.0 -80.6 104.0 139.4 7 -1.6 13 -1.8 0 0.0 0 0.0 7 21
11 A 939 PRO P T T 3 TS+ 0 0 -66.2 123.6 179.3 3.6 114.8 117.2 0 0.0 0 0.0 0 0.0 0 0.0 6 19
12 A 940 ASP D T T 3 TS- 0 0 80.1 11.0 176.7 -92.8 111.9 58.2 0 0.0 0 0.0 0 0.0 0 0.0 7 24
13 A 941 ASN N t < T - 0 0 51.5 55.8 -179.5 -156.2 59.4 25.0 10 -1.8 0 0.0 0 0.0 0 0.0 11 37
14 A 942 PRO P e - 0 0 -64.2 149.4 177.4 -105.1 20.3 98.9 0 0.0 7 -1.9 0 0.0 16 -0.5 14 33
15 A 943 ILE I E E AB + 6 0 -75.4 120.1 179.8 173.5 38.6 130.3 36 -1.7 35 -2.8 0 0.0 0 0.0 15 43
16 A 944 ILE I E E A* + 0 0 -104.2 -13.6 179.9 28.6 65.8 57.7 5 -2.6 0 0.0 14 -0.5 0 0.0 10 35
17 A 945 PHE F E E AB + 5 0 -151.7 136.5 179.9 179.7 57.8 167.5 5 -1.5 5 -2.8 0 0.0 0 0.0 8 38
18 A 946 ALA A E E AB - 4 0 -140.7 122.5 -179.4 -131.0 24.8 166.5 0 0.0 0 0.0 0 0.0 0 0.0 13 40
19 A 947 SER S h > T - 0 0 -64.4 165.9 -179.0 -108.8 29.8 98.8 3 -2.7 23 -1.2 0 0.0 0 0.0 10 31
20 A 948 ASP D H H > TS+ 0 0 -64.9 -47.7 179.6 58.0 116.1 21.4 0 0.0 24 -2.2 0 0.0 0 0.0 7 28
21 A 949 ARG R H H > TS+ 0 0 -52.2 -32.8 179.8 57.6 103.1 33.4 0 0.0 25 -3.0 0 0.0 0 0.0 9 26
22 A 950 PHE F H H > TS+ 0 0 -63.4 -48.8 179.8 44.6 107.3 19.8 0 0.0 26 -2.4 0 0.0 0 0.0 13 45
23 A 951 LEU L H H X >TS+ 0 0 -63.9 -34.3 178.7 52.0 114.0 33.2 19 -1.2 27 -1.1 0 0.0 28 -0.5 12 39
24 A 952 GLU E H H < >5TS+ 0 0 -64.2 -57.2 -179.7 46.9 110.9 9.1 20 -2.2 27 -0.8 0 0.0 0 0.0 8 31
25 A 953 LEU L H H < 35TS+ 0 0 -53.2 -41.8 -179.6 35.7 121.3 33.8 21 -3.0 0 0.0 0 0.0 0 0.0 9 38
26 A 954 THR T H H < 35TS- 0 0 -94.7 -4.1 178.7 -132.8 99.2 59.7 22 -2.4 73 -2.3 0 0.0 0 0.0 9 46
27 A 955 GLU E T h < <5T + 0 0 64.0 15.9 178.3 128.8 62.2 48.8 23 -1.1 0 0.0 24 -0.8 0 0.0 9 32
28 A 956 TYR Y t > T - 0 0 -111.2 140.7 -178.4 -117.8 23.4 153.2 0 0.0 32 -2.4 0 0.0 33 -1.4 7 28
30 A 958 ARG R H H > 3 TS+ 0 0 -43.6 -37.5 -179.6 59.0 113.9 38.8 0 0.0 34 -1.7 0 0.0 0 0.0 8 32
31 A 959 GLU E H H 4 3 TS+ 0 0 -65.1 -29.7 -179.4 48.9 107.1 34.1 0 0.0 0 0.0 0 0.0 0 0.0 5 24
32 A 960 GLU E H H 4 < TS+ 0 0 -75.4 -48.6 -178.8 39.4 115.4 20.3 29 -2.4 0 0.0 0 0.0 0 0.0 7 29
33 A 961 VAL V H H < > TS+ 0 0 -68.1 -57.3 -179.0 93.9 89.8 14.1 29 -1.4 36 -2.7 0 0.0 0 0.0 10 39
34 A 962 LEU L T h < 3 TS+ 0 0 -42.9 126.7 179.6 19.4 94.9 92.8 30 -1.7 0 0.0 0 0.0 0 0.0 11 34
35 A 963 GLY G T T 3 TS+ 0 0 94.7 -11.0 -179.1 107.9 105.0 74.4 15 -2.8 0 0.0 0 0.0 0 0.0 7 27
36 A 964 ASN N S t < TS- 0 0 -107.4 144.3 178.1 -114.3 73.9 143.5 33 -2.7 15 -1.7 0 0.0 0 0.0 11 30
37 A 965 ASN N g > T - 0 0 -68.2 144.2 -177.9 -120.2 32.0 115.6 0 0.0 40 -1.1 0 0.0 0 0.0 9 38
38 A 966 CYS C G G > TS+ 0 0 -59.5 -26.8 -178.5 91.9 94.4 43.2 0 0.0 41 -1.4 0 0.0 0 0.0 8 57
39 A 967 ARG R G G > T + 0 0 -48.8 -12.8 179.5 87.2 61.6 52.6 0 0.0 42 -2.0 0 0.0 0 0.0 5 43
40 A 968 PHE F G G < TS+ 0 0 -70.0 5.1 -179.9 67.6 78.0 63.9 37 -1.1 0 0.0 0 0.0 0 0.0 6 40
41 A 969 LEU L G G < TS+ 0 0 -98.4 -10.9 -179.8 93.9 82.8 56.2 38 -1.4 71 -2.0 0 0.0 0 0.0 8 51
42 A 970 GLN Q g < T + 0 0 -78.9 164.6 -179.5 173.6 51.7 108.1 39 -2.0 0 0.0 0 0.0 0 0.0 9 39
43 A 971 GLY G t > T - 0 0 -153.6 -169.9 -178.7 -65.1 48.1 147.0 0 0.0 46 -1.5 0 0.0 0 0.0 8 27
44 A 972 ARG R T T 3 TS+ 0 0 -57.7 -38.1 179.6 49.0 126.9 32.2 0 0.0 0 0.0 0 0.0 0 0.0 4 22
45 A 973 GLY G T T 3 TS+ 0 0 -83.3 -0.7 -179.2 115.9 83.7 60.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
46 A 974 THR T S t < TS- 0 0 -73.8 123.7 179.9 -122.0 70.0 123.5 43 -1.5 0 0.0 0 0.0 0 0.0 10 31
47 A 975 ASP D h > T - 0 0 -66.0 128.0 -180.0 -154.9 14.2 116.3 0 0.0 51 -1.5 0 0.0 0 0.0 8 27
48 A 976 ARG R H H > TS+ 0 0 -78.8 -19.8 178.1 65.9 90.9 45.1 0 0.0 52 -1.7 0 0.0 0 0.0 6 22
49 A 977 LYS K H H > TS+ 0 0 -66.4 -33.4 179.0 46.3 105.9 30.6 0 0.0 53 -1.5 0 0.0 0 0.0 6 21
50 A 978 ALA A H H > TS+ 0 0 -71.5 -49.6 178.9 50.7 110.0 21.1 0 0.0 54 -2.1 0 0.0 0 0.0 10 31
51 A 979 VAL V H H X TS+ 0 0 -59.1 -27.9 179.1 58.2 107.0 36.5 47 -1.5 55 -1.9 0 0.0 0 0.0 10 35
52 A 980 GLN Q H H X TS+ 0 0 -67.1 -48.6 179.1 49.4 104.3 18.9 48 -1.7 56 -2.1 0 0.0 0 0.0 8 26
53 A 981 LEU L H H X TS+ 0 0 -52.7 -55.8 -179.6 50.2 110.1 17.7 49 -1.5 57 -2.7 0 0.0 0 0.0 9 29
54 A 982 ILE I H H X TS+ 0 0 -51.1 -43.8 -179.7 52.9 109.2 26.1 50 -2.1 58 -2.2 0 0.0 0 0.0 10 42
55 A 983 ARG R H H X TS+ 0 0 -61.2 -39.4 -179.8 47.6 110.7 27.6 51 -1.9 59 -2.3 0 0.0 0 0.0 8 35
56 A 984 ASP D H H X TS+ 0 0 -66.0 -55.5 179.8 51.0 109.0 14.7 52 -2.1 60 -3.4 0 0.0 0 0.0 9 23
57 A 985 ALA A H H X >TS+ 0 0 -48.8 -46.1 -179.2 49.3 112.7 25.6 53 -2.7 62 -2.6 0 0.0 61 -0.5 11 31
58 A 986 VAL V H H < 5TS+ 0 0 -61.3 -55.1 -179.9 39.4 115.7 17.1 54 -2.2 0 0.0 0 0.0 0 0.0 8 42
59 A 987 LYS K H H < 5TS+ 0 0 -60.9 -51.0 179.0 43.0 121.8 16.6 55 -2.3 0 0.0 0 0.0 0 0.0 6 29
60 A 988 GLU E H H < 5TS- 0 0 -69.4 -8.9 179.8 -133.2 111.5 54.3 56 -3.4 0 0.0 0 0.0 0 0.0 6 23
61 A 989 GLN Q T h < 5T + 0 0 54.9 56.6 -179.9 133.7 55.3 22.6 57 -0.5 0 0.0 0 0.0 0 0.0 9 33
62 A 990 ARG R t T - 0 0 -69.2 174.3 179.4 -97.2 40.5 100.1 76 -2.8 75 -0.6 0 0.0 0 0.0 13 38
73 A1001 LYS K T T 3 TS+ 0 0 -62.8 -34.1 -179.6 59.2 125.0 31.9 26 -2.3 0 0.0 0 0.0 0 0.0 8 27
74 A1002 GLY G T T 3 TS- 0 0 -65.8 -29.9 -179.8 -103.6 122.0 37.8 0 0.0 0 0.0 0 0.0 0 0.0 6 20
75 A1003 GLY G S t < TS+ 0 0 122.6 -8.7 179.4 138.4 74.0 73.7 72 -0.6 0 0.0 0 0.0 0 0.0 6 21
76 A1004 ARG R e - 0 0 -71.2 130.4 180.0 -135.3 47.4 120.5 0 0.0 72 -2.8 0 0.0 0 0.0 7 25
77 A1005 ALA A E E AC + 71 0 -88.4 145.5 178.3 174.7 28.4 129.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29
78 A1006 PHE F E E AC - 70 0 -147.5 155.4 178.5 -108.9 33.5 170.6 70 -2.6 70 -2.7 0 0.0 0 0.0 10 33
79 A1007 TRP W E E AC - 69 0 -86.7 135.6 -177.1 -157.7 29.9 136.0 0 0.0 104 -1.9 0 0.0 81 -0.6 11 34
80 A1008 ASN N E E ACD - 68 103 -120.9 106.2 177.1 -157.6 9.6 159.6 68 -2.5 68 -2.4 0 0.0 82 -1.3 12 45
81 A1009 LEU L E E ACD - 67 102 -81.9 99.0 -176.3 -167.2 29.6 137.8 102 -2.6 102 -0.7 79 -0.6 0 0.0 12 39
82 A1010 PHE F E E ACD - 66 101 -101.6 130.8 179.6 -170.8 15.7 144.6 66 -2.4 66 -1.6 80 -1.3 0 0.0 12 48
83 A1011 HIS H E E ACD - 65 100 -122.6 126.6 -178.8 -157.6 7.7 168.0 100 -2.1 100 -2.3 0 0.0 0 0.0 11 41
84 A1012 LEU L E E ACD + 64 99 -105.7 144.8 179.7 176.8 12.1 141.7 64 -2.8 64 -1.0 0 0.0 0 0.0 12 47
85 A1013 GLN Q E E A D - 0 98 -148.4 142.5 -177.5 -127.3 23.4 175.2 98 -1.5 98 -2.8 0 0.0 0 0.0 10 38
86 A1014 VAL V E E A D - 0 97 -99.6 127.2 178.3 -148.8 4.8 142.0 0 0.0 88 -1.6 0 0.0 0 0.0 12 38
87 A1015 MET M E E A D + 0 96 -87.3 83.6 179.6 175.1 20.6 133.5 96 -3.4 95 -3.0 0 0.0 96 -1.2 9 34
88 A1016 ARG R t > T + 0 0 -71.3 4.1 177.3 155.3 21.1 63.0 86 -1.6 92 -0.6 0 0.0 0 0.0 10 26
89 A1017 ASP D T T 4 T + 0 0 -33.4 100.1 -178.9 56.5 52.2 93.1 0 0.0 0 0.0 0 0.0 0 0.0 9 20
90 A1018 GLU E T T 4 TS- 0 0 170.7 -115.6 180.0 -72.8 115.5 139.5 0 0.0 0 0.0 0 0.0 0 0.0 7 14
91 A1019 ASN N T T 4 TS- 0 0 -173.0 60.0 -179.0 -30.1 109.5 109.2 0 0.0 0 0.0 0 0.0 0 0.0 5 10
92 A1020 GLY G S t < TS+ 0 0 114.3 -49.0 -178.6 105.5 115.0 112.5 88 -0.6 0 0.0 0 0.0 0 0.0 6 14
93 A1021 ASP D S S S- 0 0 -70.4 141.3 179.1 -120.7 72.0 110.7 0 0.0 0 0.0 0 0.0 0 0.0 7 20
94 A1022 VAL V + 0 0 -80.2 132.0 -179.5 171.0 33.2 129.8 0 0.0 0 0.0 0 0.0 0 0.0 11 28
95 A1023 GLN Q + 0 0 -109.4 -42.9 -179.9 3.0 61.0 40.7 87 -3.0 0 0.0 0 0.0 0 0.0 12 32
96 A1024 TYR Y E E A D - 0 87 -144.2 161.7 175.3 -135.1 55.4 162.9 87 -1.2 87 -3.4 0 0.0 0 0.0 12 40
97 A1025 PHE F E E AAD - 6 86 -116.2 134.1 179.7 -156.3 21.1 164.4 6 -1.9 6 -2.6 0 0.0 0 0.0 13 48
98 A1026 ILE I E E AAD - 5 85 -113.3 127.7 179.5 -167.4 8.6 162.5 85 -2.8 85 -1.5 0 0.0 0 0.0 12 45
99 A1027 GLY G E E AAD - 4 84 -123.3 126.6 178.3 -162.1 8.3 164.2 4 -2.4 4 -1.9 0 0.0 0 0.0 11 52
100 A1028 VAL V E E AAD - 3 83 -102.7 129.1 -179.7 -162.5 12.9 152.7 83 -2.3 83 -2.1 0 0.0 0 0.0 11 43
101 A1029 GLN Q E E AAD - 2 82 -115.0 138.3 -179.7 -176.6 8.1 156.9 2 -2.1 2 -0.5 0 0.0 0 0.0 12 47
102 A1030 GLN Q E E A D - 0 81 -137.6 120.9 177.3 -134.7 25.2 163.8 81 -0.7 81 -2.6 0 0.0 104 -0.5 9 36
103 A1031 GLU E E E A D 0 80 -69.4 119.3 -179.6 999.9 999.9 124.8 0 0.0 0 0.0 0 0.0 0 0.0 8 32
104 A1032 MET M e 0 0 -123.4 999.9 999.9 999.9 999.9 45.6 79 -1.9 0 0.0 102 -0.5 0 0.0 6 25
1jnuA.pdb
1JNU SIGNALING PROTEIN, ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEE TTSTT EEEE HHHHHHHT HHHHTTS GGGG TTS HHHHHHHHHHHHHT EEEEEEEE TTS EEEEEEEEEEE TTTSS EEEEE Kabs/Sand
chirality +-----++-+---+++--++++++-+--++++++--+++++-++--++++++++++++-+-+-+-+-+---+-+-+------+--+++--+-++----- chirality
bends SSSSS SSSSSSS SSSSSSS S SS SSS SSSSSSSSSSSSS SSS SSSS bends
turns TTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33X33< >33< >33<>33<>>><<<>33< >33< 3-turns
bridge-2 BBB DDDDDDDD DDDDD bridge-2
bridge-1 AAAAA B*BB CCCCCCCC CCCCCCCC AAAA bridge-1
sheets AAAAA AAAA AAAAAAAA AAAAAAAAAAA AAAAA sheets
4-turns >>>>X<<<< >>44<< >>>>XXXXXXX<<<< >444< 4-turns
summary EEEEEeTTtTTteEEEEhHHHHHHHhthHHHHhTtgGGGGgtTTthHHHHHHHHHHHHHht EEEEEEEEeTTteEEEEEEEEEEEtTTTtS EEEEE summary
sequence KSFVITDPRLPDNPIIFASDRFLELTEYTREEVLGNNCRFLQGRGTDRKAVQLIRDAVKEQRDVTVQVLNYTKGGRAFWNLFHLQVMRDENGDVQYFIGV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEE Kabs/Sand
chirality -- chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 DDD bridge-2
bridge-1 A bridge-1
sheets AAA sheets
4-turns 4-turns
summary EEEe summary
sequence QQEM sequence