Secondary structure calculation program - copyright by David Keith Smith, 1989
2ncm-.pdb
2NCM CELL ADHESION MOL_ID: 1; MOL_ID: 1;
Sequence length - 99
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 1 ARG R 0 0 999.9 -66.2 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 21
2 2 VAL V + 0 0 -156.5 -43.6 -178.9 104.8 999.9 70.6 0 0.0 0 0.0 0 0.0 0 0.0 7 26
3 3 LEU L - 0 0 -57.2 134.1 179.7 -179.9 44.3 105.8 0 0.0 0 0.0 0 0.0 0 0.0 11 35
4 4 GLN Q E E AA + 27 0 -139.4 141.7 -179.8 174.8 6.3 174.7 27 -0.7 27 -1.3 0 0.0 0 0.0 9 37
5 5 VAL V E E AA + 26 0 -149.4 143.3 179.1 167.2 4.6 174.3 0 0.0 0 0.0 0 0.0 0 0.0 14 45
6 6 ASP D E E AA - 25 0 -160.1 127.1 -179.9 -148.0 19.6 154.7 25 -1.8 25 -2.1 0 0.0 0 0.0 11 40
7 7 ILE I E E AA - 24 0 -99.7 138.6 -179.4 -117.6 27.3 142.5 0 0.0 0 0.0 0 0.0 0 0.0 13 45
8 8 VAL V E E AA S+ 23 0 -128.5 135.5 -0.5 30.1 87.9 171.4 23 -1.4 23 -1.9 0 0.0 0 0.0 9 34
9 9 PRO P S S S- 0 0 -77.2 170.3 179.6 -147.9 73.3 53.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32
10 10 SER S S e S+ 0 0 -66.6 -45.1 178.9 18.8 90.3 22.0 0 0.0 94 -2.0 0 0.0 0 0.0 8 30
11 11 GLN Q E E Bb S- 94 0 -131.8 110.9 -178.6 -173.7 72.6 163.1 0 0.0 13 -0.7 0 0.0 0 0.0 9 30
12 12 GLY G E E Bb - 95 0 -111.5 97.9 178.0 -164.4 5.7 146.6 94 -1.4 96 -1.6 0 0.0 0 0.0 9 38
13 13 GLU E E E Bb + 96 0 -78.6 134.4 -178.3 172.5 19.3 126.5 11 -0.7 0 0.0 0 0.0 0 0.0 7 34
14 14 ILE I E E Bb - 97 0 -136.8 170.0 177.8 -127.7 25.9 150.8 96 -1.0 98 -1.5 0 0.0 0 0.0 12 35
15 15 SER S E E Bb > T - 98 0 -119.0 156.7 180.0 -86.6 40.7 148.1 0 0.0 18 -1.9 0 0.0 0 0.0 11 26
16 16 VAL V T e 3 TS+ 0 0 -63.2 137.8 -177.7 27.6 115.6 110.2 98 -2.0 0 0.0 0 0.0 0 0.0 11 25
17 17 GLY G T T 3 TS+ 0 0 91.5 -8.8 179.4 108.6 101.0 73.2 69 -1.2 0 0.0 0 0.0 0 0.0 8 25
18 18 GLU E t < T - 0 0 -100.0 155.0 178.9 -128.5 64.4 133.7 15 -1.9 69 -1.5 0 0.0 0 0.0 9 28
19 19 SER S - 0 0 -98.6 163.5 -178.1 -174.7 22.3 124.1 0 0.0 0 0.0 0 0.0 0 0.0 10 34
20 20 LYS K E E A C - 0 66 -164.2 119.5 178.5 -169.1 7.1 143.7 66 -0.9 66 -0.9 0 0.0 0 0.0 10 44
21 21 PHE F E E A C - 0 65 -113.0 141.4 -179.4 -152.1 10.2 152.5 0 0.0 23 -0.5 0 0.0 0 0.0 8 51
22 22 PHE F E E A C - 0 64 -117.8 118.5 -177.3 -136.8 13.9 162.7 64 -1.0 64 -1.8 0 0.0 24 -0.6 11 52
23 23 LEU L E E AAC - 8 63 -78.9 115.1 178.3 -163.0 12.7 129.3 8 -1.9 8 -1.4 21 -0.5 25 -0.9 12 46
24 24 CYS C E E AAC - 7 62 -99.6 94.9 179.6 -177.5 15.8 142.5 62 -1.6 62 -1.6 22 -0.6 0 0.0 13 52
25 25 GLN Q E E AA - 6 0 -88.9 158.7 -179.3 -163.9 3.8 120.9 6 -2.1 6 -1.8 23 -0.9 0 0.0 10 43
26 26 VAL V E E AA - 5 0 -138.5 171.8 179.2 -162.9 11.7 150.7 0 0.0 0 0.0 0 0.0 0 0.0 10 42
27 27 ALA A E E AA + 4 0 -158.7 137.6 -179.7 55.5 43.7 163.2 4 -1.3 4 -0.7 0 0.0 0 0.0 8 34
28 28 GLY G - 0 0 140.5 -161.4 -179.9 -118.1 59.0 160.5 0 0.0 0 0.0 0 0.0 0 0.0 7 29
29 29 ASP D + 0 0 -173.3 38.0 -179.8 148.4 45.2 86.2 0 0.0 31 -1.6 0 0.0 0 0.0 7 28
30 30 ALA A S S S- 0 0 -86.2 79.2 179.8 -75.0 72.4 126.2 0 0.0 84 -0.6 0 0.0 0 0.0 10 25
31 31 LYS K S S S- 0 0 60.2 -167.9 179.0 -12.6 97.5 92.9 29 -1.6 0 0.0 0 0.0 0 0.0 6 24
32 32 ASP D S S S- 0 0 -64.3 133.7 -178.8 -154.4 74.1 113.6 0 0.0 0 0.0 0 0.0 0 0.0 7 27
33 33 LYS K - 0 0 -116.5 145.4 179.9 -165.1 9.4 152.9 0 0.0 0 0.0 0 0.0 0 0.0 10 36
34 34 ASP D E E BD - 82 0 -121.8 164.9 -179.8 -137.7 10.4 141.9 82 -1.6 82 -1.2 0 0.0 0 0.0 8 43
35 35 ILE I E E BD + 81 0 -127.9 146.8 179.4 176.3 18.9 162.3 0 0.0 0 0.0 0 0.0 0 0.0 11 52
36 36 SER S E E BD - 80 0 -144.5 158.9 179.6 -146.4 16.5 164.3 80 -0.8 80 -1.2 0 0.0 0 0.0 9 53
37 37 TRP W E E BD - 79 0 -133.7 128.0 -179.0 -161.7 8.4 174.2 0 0.0 45 -1.8 0 0.0 39 -0.5 11 54
38 38 PHE F E E BDE - 78 44 -116.6 118.0 179.2 -136.5 15.3 159.1 78 -1.2 78 -1.3 0 0.0 0 0.0 12 45
39 39 SER S E E >B E> T - 0 43 -66.6 149.4 -179.0 -104.0 32.2 108.8 43 -1.9 42 -1.7 37 -0.5 43 -1.6 13 44
40 40 PRO P T T 4 3 TS+ 0 0 -49.9 -16.8 178.7 75.7 114.8 53.2 0 0.0 0 0.0 0 0.0 0 0.0 11 33
41 41 ASN N T T 4 3 TS- 0 0 -79.1 7.7 -180.0 -100.5 121.6 69.2 0 0.0 0 0.0 0 0.0 0 0.0 4 25
42 42 GLY G T T 4 < TS+ 0 0 76.8 41.7 -179.6 99.4 90.3 26.6 39 -1.7 0 0.0 0 0.0 0 0.0 6 23
43 43 GLU E E E > T - 0 0 -141.5 154.7 179.5 -109.5 40.1 166.5 0 0.0 74 -1.7 0 0.0 73 -0.9 12 33
71 71 ILE I T T 4 3 TS+ 0 0 -53.9 -24.5 178.8 59.6 119.2 40.6 0 0.0 0 0.0 0 0.0 0 0.0 10 31
72 72 ASP D T T 4 3 TS+ 0 0 -71.5 -41.0 179.4 49.0 103.3 26.5 0 0.0 0 0.0 0 0.0 0 0.0 5 34
73 73 ASP D T T 4 < TS+ 0 0 -66.5 -35.5 179.8 105.5 85.7 32.0 70 -0.9 0 0.0 0 0.0 0 0.0 10 49
74 74 ALA A t < T + 0 0 -51.4 107.8 179.5 93.6 57.5 106.4 70 -1.7 0 0.0 0 0.0 0 0.0 11 43
75 75 GLY G E E B G S- 0 95 -177.7 -179.3 -179.9 -56.6 84.6 167.7 95 -0.7 95 -1.9 0 0.0 77 -1.2 10 43
76 76 ILE I E E B G - 0 94 -82.2 95.2 178.4 -162.2 54.8 131.0 0 0.0 0 0.0 0 0.0 0 0.0 10 43
77 77 TYR Y E E B G - 0 93 -71.8 160.1 -179.6 -143.2 7.0 107.6 93 -1.8 93 -1.8 75 -1.2 0 0.0 12 55
78 78 LYS K E E BDG - 38 92 -128.1 158.1 178.2 -160.4 15.0 155.1 38 -1.3 38 -1.2 0 0.0 0 0.0 13 54
79 79 CYS C E E BDG - 37 91 -138.9 99.9 -177.8 -178.9 17.6 153.2 91 -1.7 91 -0.5 0 0.0 81 -0.5 14 56
80 80 VAL V E E BDG - 36 90 -109.8 126.3 178.3 -165.5 6.7 156.3 36 -1.2 36 -0.8 0 0.0 0 0.0 13 49
81 81 VAL V E E BDG - 35 89 -102.7 155.1 -180.0 -151.1 8.3 135.4 89 -1.0 89 -0.6 79 -0.5 0 0.0 12 48
82 82 THR T E E BDG - 34 88 -132.7 143.4 179.9 -138.6 4.1 168.9 34 -1.2 34 -1.6 0 0.0 0 0.0 11 37
83 83 ALA A e - 0 0 -89.1 176.5 180.0 -103.2 32.2 107.2 87 -0.5 0 0.0 0 0.0 0 0.0 12 29
84 84 GLU E S S S+ 0 0 -66.9 -40.8 -179.6 35.6 123.2 28.0 30 -0.6 0 0.0 0 0.0 0 0.0 9 21
85 85 ASP D S S S- 0 0 -81.8 -36.2 -179.8 -86.2 131.3 33.4 0 0.0 0 0.0 0 0.0 0 0.0 4 17
86 86 GLY G S S S+ 0 0 150.1 -18.2 179.7 139.2 78.1 78.6 0 0.0 88 -0.6 0 0.0 0 0.0 6 21
87 87 THR T e - 0 0 -58.5 103.5 -179.4 -174.3 33.6 113.0 0 0.0 83 -0.5 0 0.0 0 0.0 7 25
88 88 GLN Q E E B G - 0 82 -109.4 132.5 178.5 -165.0 9.7 153.8 86 -0.6 0 0.0 0 0.0 0 0.0 9 34
89 89 SER S E E B G - 0 81 -99.7 -176.9 -179.6 -163.3 11.6 109.3 81 -0.6 81 -1.0 0 0.0 0 0.0 10 38
90 90 GLU E E E B G - 0 80 -161.3 175.5 179.2 -170.3 15.8 167.5 0 0.0 0 0.0 0 0.0 0 0.0 11 41
91 91 ALA A E E B G - 0 79 -159.7 176.4 -179.7 -149.9 10.8 158.2 79 -0.5 79 -1.7 0 0.0 0 0.0 10 44
92 92 THR T E E B G - 0 78 -155.2 163.9 179.1 -159.4 5.1 169.6 0 0.0 0 0.0 0 0.0 0 0.0 11 45
93 93 VAL V E E B G - 0 77 -152.6 123.1 179.6 -135.1 20.5 158.0 77 -1.8 77 -1.8 0 0.0 95 -1.2 14 43
94 94 ASN N E E BbG - 11 76 -81.0 96.0 -179.8 -175.1 31.0 131.0 10 -2.0 12 -1.4 0 0.0 96 -0.5 10 40
95 95 VAL V E E BbG - 12 75 -97.9 123.6 -179.9 -167.9 2.0 147.0 75 -1.9 75 -0.7 93 -1.2 0 0.0 12 48
96 96 LYS K E E Bb - 13 0 -108.5 160.3 178.4 -168.3 7.7 136.4 12 -1.6 14 -1.0 94 -0.5 0 0.0 13 39
97 97 ILE I E E Bb - 14 0 -151.6 125.7 -179.0 -164.6 2.5 161.7 0 0.0 0 0.0 0 0.0 0 0.0 13 32
98 98 PHE F E E Bb 15 0 -116.6 128.0 -179.9 999.9 999.9 162.5 14 -1.5 16 -2.0 0 0.0 0 0.0 8 23
99 99 GLN Q 0 0 -83.2 999.9 999.9 999.9 999.9 126.5 0 0.0 0 0.0 0 0.0 0 0.0 6 18
2ncm-.pdb
2NCM CELL ADHESION MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEESSEEEEETT EEEEEEEE SSS EEEEEETTTEE SSSSSEEEEE SSS EEEEESS TTT EEEEEEEE SSS EEEEEEEEEEE Kabs/Sand
chirality +-++--+-+--+--++---------+-+-----+----+-+----++--+----++--++-----+---++++---------+-+----------- chirality
bends SSSS SS SSS SSSS SSSSS SSS SS SSS S SSS bends
turns TTTT TTTTT TTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< 3-turns
bridge-2 CCCCC EE FFFFF GGGGGGGG GGGGGGGG bridge-2
bridge-1 AAAAA bbbbb AAAAA DDDDD EE FFFFF CCCCC DDDDD bbbbb bridge-1
sheets AAAAA BBBBB AAAAAAAA BBBBBB BB AAAAA AAAAA BBBBBBBB BBBBBBBBBBB sheets
4-turns >444< >444< 4-turns
summary EEEEESeEEEEEeTt EEEEEEEE SSS EEEEEETTTEEe SSSSeEEEEEeSSSeEEEEEeS tTTTtEEEEEEEEeSSSeEEEEEEEEEEE summary
sequence RVLQVDIVPSQGEISVGESKFFLCQVAGDAKDKDISWFSPNGEKLSPNQQRISVVWNDDDSSTLTIYNANIDDAGIYKCVVTAEDGTQSEATVNVKIFQ sequence
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