Secondary structure calculation program - copyright by David Keith Smith, 1989
1e88A.pdb
1E88 EXTRACELLULAR MATRIX GLYCOPROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 160
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 1 TYR Y 0 0 999.9 109.2 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 15
2 A 2 GLY G + 0 0 83.0 -157.8 -180.0 99.5 999.9 116.3 0 0.0 0 0.0 0 0.0 0 0.0 7 23
3 A 3 HIS H - 0 0 56.6 165.5 180.0 -107.3 65.9 73.0 0 0.0 0 0.0 0 0.0 0 0.0 12 34
4 A 4 CYS C E E AA - 12 0 -130.9 148.4 180.0 -149.8 17.6 163.7 12 -1.1 12 -3.4 0 0.0 0 0.0 13 40
5 A 5 VAL V E E AA + 11 0 -122.4 123.0 -180.0 155.1 26.9 166.0 0 0.0 0 0.0 0 0.0 0 0.0 9 37
6 A 6 THR T E E >AA > T + 10 0 -139.4 168.2 -179.9 38.5 50.0 153.7 10 -1.9 10 -1.7 0 0.0 9 -1.0 7 37
7 A 7 ASP D T T 4 3 TS- 0 0 85.5 -44.6 180.0 -57.5 128.0 101.8 0 0.0 0 0.0 0 0.0 0 0.0 6 27
8 A 8 SER S T T 4 3 TS- 0 0 158.4 -22.6 180.0 -0.8 126.4 83.3 0 0.0 0 0.0 0 0.0 0 0.0 5 16
9 A 9 GLY G T T 4 < TS+ 0 0 -178.2 30.5 180.0 128.5 85.1 77.9 6 -1.0 11 -0.8 0 0.0 0 0.0 6 19
10 A 10 VAL V E E >TS+ 0 0 44.2 -149.2 180.0 111.3 81.2 90.4 0 0.0 53 -0.7 0 0.0 51 -0.6 9 28
49 A 49 GLY G G G >5TS- 0 0 82.2 -169.9 -180.0 -48.7 93.7 107.3 0 0.0 52 -0.7 0 0.0 0 0.0 11 37
50 A 50 ASN N G G 35TS+ 0 0 -85.1 12.4 180.0 64.9 133.2 74.8 0 0.0 0 0.0 0 0.0 0 0.0 9 32
51 A 51 SER S G G <5TS- 0 0 -105.9 -20.0 180.0 -139.1 94.4 52.4 94 -1.1 0 0.0 48 -0.6 0 0.0 11 33
52 A 52 ASN N T g <5TS- 0 0 57.2 67.2 180.0 -29.0 78.6 8.5 49 -0.7 0 0.0 0 0.0 0 0.0 8 24
53 A 53 GLY G S t T + 65 0 -164.1 128.7 -180.0 1.3 63.2 152.5 65 -2.5 65 -1.3 0 0.0 0 0.0 9 35
63 A 63 ASN N T T 3 TS- 0 0 76.5 -8.3 -179.7 -52.1 133.4 69.6 0 0.0 0 0.0 0 0.0 0 0.0 4 24
64 A 64 GLY G T T 3 TS+ 0 0 123.4 -2.9 180.0 102.4 117.3 70.6 0 0.0 0 0.0 0 0.0 0 0.0 5 18
65 A 65 ARG R E E CD < T - 62 0 -110.6 157.2 179.7 -127.0 68.5 139.9 62 -1.3 62 -2.5 0 0.0 67 -0.8 6 22
66 A 66 THR T E E CD - 61 0 -107.3 94.3 -179.9 -163.4 25.7 144.9 0 0.0 0 0.0 0 0.0 0 0.0 8 26
67 A 67 PHE F E E CD - 60 0 -79.2 131.3 179.8 -167.7 12.8 127.3 60 -1.5 60 -3.1 65 -0.8 0 0.0 11 36
68 A 68 TYR Y S S S+ 0 0 -101.1 13.5 -180.0 6.4 73.3 78.4 0 0.0 0 0.0 0 0.0 0 0.0 8 39
69 A 69 SER S S S S- 0 0 -178.2 169.9 -180.0 -41.1 103.5 165.6 0 0.0 0 0.0 0 0.0 0 0.0 10 46
70 A 70 CYS C - 0 0 -38.4 162.0 -180.0 -173.5 57.7 81.6 0 0.0 0 0.0 0 0.0 0 0.0 14 54
71 A 71 THR T B B C - 81 0 -161.8 156.4 180.0 -135.9 36.6 170.5 81 -1.7 81 -3.8 0 0.0 0 0.0 8 43
72 A 72 THR T + 0 0 -102.3 18.5 -180.0 135.5 57.7 82.4 0 0.0 74 -0.9 0 0.0 0 0.0 10 34
73 A 73 GLU E S S S- 0 0 -72.2 104.1 180.0 -3.1 84.1 124.6 0 0.0 0 0.0 0 0.0 0 0.0 6 29
74 A 74 GLY G S S S+ 0 0 109.9 -45.3 179.9 101.5 110.2 104.9 72 -0.9 0 0.0 0 0.0 0 0.0 4 24
75 A 75 ARG R + 0 0 -75.0 146.7 -180.0 177.6 39.4 116.7 0 0.0 0 0.0 0 0.0 0 0.0 9 26
76 A 76 GLN Q + 0 0 -132.5 12.2 180.0 94.0 59.1 79.3 0 0.0 0 0.0 0 0.0 0 0.0 6 17
77 A 77 ASP D S S S- 0 0 -81.3 -12.3 180.0 -110.0 100.4 53.0 0 0.0 0 0.0 0 0.0 0 0.0 4 21
78 A 78 GLY G S S S+ 0 0 115.4 -51.6 180.0 92.2 88.3 110.1 0 0.0 0 0.0 0 0.0 0 0.0 6 20
79 A 79 HIS H S S S- 0 0 -70.1 172.6 -180.0 -107.0 77.3 96.6 0 0.0 0 0.0 0 0.0 0 0.0 12 30
80 A 80 LEU L e - 0 0 -104.9 152.2 179.9 -141.1 23.8 138.8 0 0.0 97 -2.7 0 0.0 0 0.0 14 39
81 A 81 TRP W E E DEC - 96 71 -113.6 147.5 -179.9 -168.9 14.6 149.2 71 -3.8 71 -1.7 0 0.0 0 0.0 14 52
82 A 82 CYS C E E DE - 95 0 -135.1 151.4 180.0 -115.3 23.5 164.6 95 -3.0 95 -3.5 0 0.0 0 0.0 14 57
83 A 83 SER S E E DE - 94 0 -88.7 132.9 -179.9 -155.5 13.2 135.3 0 0.0 57 -1.9 0 0.0 0 0.0 15 54
84 A 84 THR T S e S+ 0 0 -102.0 51.8 180.0 64.2 72.5 110.9 93 -0.5 0 0.0 0 0.0 0 0.0 16 44
85 A 85 THR T S S S- 0 0 -174.5 118.0 180.0 -131.0 76.8 135.0 0 0.0 0 0.0 0 0.0 0 0.0 14 36
86 A 86 SER S S S S+ 0 0 -36.3 -47.0 180.0 47.2 111.7 32.3 0 0.0 88 -1.0 0 0.0 0 0.0 9 32
87 A 87 ASN N h > > T + 0 0 -102.0 77.2 -180.0 175.7 69.9 131.4 0 0.0 90 -3.1 0 0.0 91 -1.9 9 28
88 A 88 TYR Y H H > 3 TS+ 0 0 -45.1 -49.2 -180.0 54.5 83.7 26.4 86 -1.0 92 -1.4 0 0.0 0 0.0 14 35
89 A 89 GLU E H H 4 3 TS+ 0 0 -62.2 -12.6 180.0 44.1 115.3 50.2 0 0.0 0 0.0 0 0.0 0 0.0 7 24
90 A 90 GLN Q H H 4 < TS+ 0 0 -94.6 -69.1 -180.0 14.4 131.3 26.2 87 -3.1 0 0.0 0 0.0 0 0.0 6 21
91 A 91 ASP D H H < TS- 0 0 -77.0 -35.2 179.9 -155.3 80.8 32.6 87 -1.9 0 0.0 0 0.0 0 0.0 7 26
92 A 92 GLN Q h < T + 0 0 68.2 11.1 180.0 151.3 40.1 52.2 88 -1.4 0 0.0 0 0.0 0 0.0 11 32
93 A 93 LYS K e + 0 0 -73.7 153.6 -180.0 153.4 13.0 111.8 0 0.0 84 -0.5 0 0.0 0 0.0 11 35
94 A 94 TYR Y E E DE - 83 0 -165.0 178.6 179.9 -146.9 26.3 163.0 0 0.0 51 -1.1 0 0.0 0 0.0 14 49
95 A 95 SER S E E DE - 82 0 -161.8 142.0 -179.9 -114.7 24.4 163.7 82 -3.5 82 -3.0 0 0.0 97 -0.7 19 50
96 A 96 PHE F E E DEB - 81 47 -83.9 114.4 179.9 -149.7 35.1 135.1 47 -1.8 47 -1.8 0 0.0 0 0.0 13 44
97 A 97 CYS C e - 0 0 -75.0 172.9 180.0 -108.5 17.3 100.0 80 -2.7 99 -0.5 95 -0.7 0 0.0 16 45
98 A 98 THR T S t > TS- 0 0 -112.0 120.9 180.0 -41.7 77.7 158.3 0 0.0 101 -3.2 0 0.0 0 0.0 11 35
99 A 99 ASP D T T 3 TS- 0 0 30.7 40.8 180.0 -81.8 99.2 38.8 97 -0.5 0 0.0 0 0.0 0 0.0 7 29
100 A 100 HIS H T T 3 TS- 0 0 35.3 48.6 179.7 -96.4 73.2 32.7 0 0.0 0 0.0 0 0.0 0 0.0 10 34
101 A 101 THR T t < T - 0 0 38.9 -167.0 -179.8 -107.5 44.1 78.7 98 -3.2 0 0.0 0 0.0 0 0.0 8 37
102 A 102 VAL V + 0 0 -160.5 122.7 -180.0 172.4 34.0 150.8 0 0.0 0 0.0 0 0.0 0 0.0 6 41
103 A 103 LEU L - 0 0 -138.8 112.4 179.9 -161.9 12.8 158.2 0 0.0 0 0.0 0 0.0 0 0.0 8 48
104 A 104 VAL V - 0 0 -93.0 146.9 179.8 -153.1 6.7 132.2 116 -1.8 106 -0.5 0 0.0 0 0.0 9 49
105 A 105 GLN Q + 0 0 -122.6 87.4 -179.9 176.0 22.2 142.0 0 0.0 0 0.0 0 0.0 0 0.0 12 48
106 A 106 THR T B B D + 114 0 -86.4 166.4 179.9 179.2 2.0 113.1 114 -1.8 114 -0.9 104 -0.5 0 0.0 17 47
107 A 107 ARG R E E EF + 156 0 -158.6 168.7 180.0 55.3 33.1 165.8 156 -1.2 156 -1.7 0 0.0 0 0.0 12 39
108 A 108 GLY G E E E* S+ 0 0 76.9 141.9 179.9 44.3 86.5 65.1 0 0.0 110 -1.2 0 0.0 156 -0.6 9 30
109 A 109 GLY G E E EF S- 155 0 96.6 -83.3 -180.0 -33.8 129.6 132.7 0 0.0 0 0.0 0 0.0 0 0.0 8 32
110 A 110 ASN N S e S+ 0 0 -142.0 -40.8 180.0 79.5 121.1 61.6 108 -1.2 112 -2.8 154 -0.8 0 0.0 8 37
111 A 111 SER S S t > TS- 0 0 -75.0 59.1 -180.0 -155.7 74.1 108.3 154 -1.6 114 -1.8 0 0.0 0 0.0 13 51
112 A 112 ASN N T T 3 TS- 0 0 -40.0 90.8 -180.0 -35.1 74.3 95.3 110 -2.8 0 0.0 0 0.0 0 0.0 12 45
113 A 113 GLY G T T 3 TS+ 0 0 50.7 58.9 -179.8 171.6 94.1 17.9 0 0.0 0 0.0 0 0.0 0 0.0 11 48
114 A 114 ALA A B B D < T - 106 0 -105.1 130.5 179.9 -113.4 43.8 150.7 111 -1.8 116 -1.9 106 -0.9 106 -1.8 15 61
115 A 115 LEU L B B A - 17 0 -60.6 85.4 -180.0 -135.3 41.0 111.6 17 -1.5 17 -0.6 0 0.0 0 0.0 13 65
116 A 116 CYS C - 0 0 -45.2 135.3 -179.9 -127.1 14.3 96.4 114 -1.9 104 -1.8 0 0.0 118 -0.6 17 59
117 A 117 HIS H - 0 0 -94.6 121.3 -180.0 -125.2 26.8 143.8 143 -1.4 0 0.0 0 0.0 0 0.0 14 56
118 A 118 PHE F S S S+ 0 0 -118.5 130.5 0.0 30.0 89.7 163.0 116 -0.6 0 0.0 0 0.0 0 0.0 13 43
119 A 119 PRO P S S S- 0 0 -71.2 -175.4 179.7 -173.3 85.7 53.7 0 0.0 0 0.0 0 0.0 0 0.0 9 40
120 A 120 PHE F E E FG - 127 0 -150.1 128.7 -179.8 -120.6 21.9 164.6 127 -3.9 127 -1.1 0 0.0 0 0.0 15 46
121 A 121 LEU L E E FGe - 126 147 -66.0 152.8 179.2 -170.7 25.4 106.2 146 -3.8 148 -1.4 0 0.0 149 -0.5 14 34
122 A 122 TYR Y E E FG > TS- 125 0 -150.4 112.8 -179.6 -26.9 70.5 152.5 125 -0.7 125 -0.9 0 0.0 0 0.0 12 33
123 A 123 ASN N T T 3 TS- 0 0 54.3 19.9 -179.7 -48.7 130.3 42.9 0 0.0 0 0.0 0 0.0 0 0.0 7 26
124 A 124 ASN N T T 3 TS+ 0 0 90.0 29.3 179.9 123.5 114.9 41.7 0 0.0 0 0.0 0 0.0 0 0.0 7 21
125 A 125 HIS H E E FG < T - 122 0 -127.5 117.0 -179.9 -122.9 65.4 165.4 122 -0.9 122 -0.7 0 0.0 0 0.0 6 24
126 A 126 ASN N E E FG - 121 0 -59.2 113.3 179.9 -174.0 36.7 113.1 0 0.0 0 0.0 0 0.0 0 0.0 8 24
127 A 127 TYR Y E E FG + 120 0 -116.1 138.5 -179.9 177.2 22.7 157.2 120 -1.1 120 -3.9 0 0.0 0 0.0 10 31
128 A 128 THR T + 0 0 -130.9 42.0 179.8 57.8 62.8 101.4 0 0.0 0 0.0 0 0.0 0 0.0 7 34
129 A 129 ASP D S S S- 0 0 -170.4 139.9 -180.0 -84.1 97.8 154.7 0 0.0 131 -1.2 0 0.0 0 0.0 8 38
130 A 130 CYS C - 0 0 -49.0 86.6 -180.0 -161.0 57.5 102.4 0 0.0 0 0.0 0 0.0 0 0.0 10 49
131 A 131 THR T - 0 0 -75.0 150.1 -180.0 -151.4 19.8 114.6 129 -1.2 141 -1.0 0 0.0 0 0.0 8 42
132 A 132 SER S t > T + 0 0 -111.1 30.5 180.0 171.8 25.7 93.6 0 0.0 135 -3.8 0 0.0 0 0.0 10 33
133 A 133 GLU E T T 3 TS+ 0 0 -45.0 99.4 -180.0 4.4 81.2 100.4 0 0.0 0 0.0 0 0.0 0 0.0 4 31
134 A 134 GLY G T T 3 TS+ 0 0 94.1 17.9 180.0 103.9 110.5 49.7 0 0.0 0 0.0 0 0.0 0 0.0 4 22
135 A 135 ARG R t < T + 0 0 -92.1 -89.7 180.0 171.6 35.6 32.8 132 -3.8 0 0.0 0 0.0 0 0.0 7 19
136 A 136 ARG R + 0 0 84.7 13.0 -180.0 101.5 53.6 53.0 0 0.0 0 0.0 0 0.0 0 0.0 5 12
137 A 137 ASP D S S S- 0 0 -132.0 145.2 -180.0 -82.3 93.8 167.0 0 0.0 139 -0.8 0 0.0 0 0.0 4 14
138 A 138 ASN N S S S+ 0 0 -45.2 89.0 180.0 74.7 100.1 99.5 0 0.0 0 0.0 0 0.0 0 0.0 4 16
139 A 139 MET M - 0 0 164.1 142.5 180.0 -144.2 61.8 133.7 137 -0.8 0 0.0 0 0.0 0 0.0 8 24
140 A 140 LYS K e - 0 0 -120.1 163.9 -179.9 -170.9 13.3 142.0 0 0.0 157 -1.7 0 0.0 0 0.0 10 34
141 A 141 TRP W E E EH - 156 0 -150.0 162.7 179.9 -168.2 2.7 165.9 131 -1.0 0 0.0 0 0.0 0 0.0 13 50
142 A 142 CYS C E E EH - 155 0 -139.1 -172.0 180.0 -79.3 33.9 136.5 155 -2.1 155 -1.6 0 0.0 0 0.0 18 57
143 A 143 GLY G E E EH - 154 0 -102.9 134.8 179.9 -152.1 17.1 146.7 0 0.0 117 -1.4 0 0.0 0 0.0 17 59
144 A 144 THR T S e S+ 0 0 -74.9 -12.2 179.9 44.4 86.9 52.0 153 -1.8 17 -0.6 0 0.0 0 0.0 17 64
145 A 145 THR T S t > TS- 0 0 -134.0 150.6 -179.9 -109.5 93.3 164.3 0 0.0 148 -0.5 0 0.0 0 0.0 13 59
146 A 146 GLN Q T T 3 TS+ 0 0 -47.0 -23.9 -179.9 46.0 121.1 41.9 0 0.0 121 -3.8 0 0.0 0 0.0 11 46
147 A 147 ASN N B h > e 3 T + 121 0 -124.2 76.0 -179.7 168.0 69.5 132.1 0 0.0 151 -1.4 0 0.0 0 0.0 11 37
148 A 148 TYR Y H H > X TS+ 0 0 -49.0 -76.0 -179.7 41.1 82.0 14.3 121 -1.4 152 -3.7 145 -0.5 151 -3.1 16 47
149 A 149 ASP D H H 4 3 TS+ 0 0 -47.0 -23.4 -179.9 49.1 120.6 42.5 121 -0.5 0 0.0 0 0.0 0 0.0 10 36
150 A 150 ALA A H H 4 3 TS+ 0 0 -91.8 -16.2 179.9 37.9 118.1 51.3 0 0.0 0 0.0 0 0.0 0 0.0 7 26
151 A 151 ASP D H H < < TS- 0 0 -104.8 -24.2 179.9 -140.8 94.5 49.2 148 -3.1 0 0.0 147 -1.4 0 0.0 8 40
152 A 152 GLN Q h < T + 0 0 62.2 46.4 -180.0 116.0 62.4 22.3 148 -3.7 0 0.0 0 0.0 0 0.0 6 37
153 A 153 LYS K e + 0 0 -150.5 114.4 180.0 165.2 33.9 152.3 0 0.0 144 -1.8 0 0.0 0 0.0 11 52
154 A 154 PHE F E E E H - 0 143 -124.5 167.8 -180.0 -166.7 10.9 142.2 0 0.0 111 -1.6 0 0.0 110 -0.8 13 56
155 A 155 GLY G E E EFH - 109 142 -156.0 151.1 179.9 -103.1 26.4 174.5 142 -1.6 142 -2.1 0 0.0 0 0.0 18 54
156 A 156 PHE F E E EFH - 107 141 -74.9 145.8 -179.9 -127.6 37.7 117.2 107 -1.7 107 -1.2 108 -0.6 0 0.0 13 44
157 A 157 CYS C e - 0 0 -89.9 166.4 180.0 -70.9 39.1 115.9 140 -1.7 0 0.0 0 0.0 0 0.0 13 43
158 A 158 PRO P - 0 0 -53.3 152.6 -180.0 -155.7 31.7 95.2 0 0.0 0 0.0 0 0.0 0 0.0 6 33
159 A 159 MET M 0 0 -102.9 -27.8 180.0 999.9 999.9 46.1 0 0.0 0 0.0 0 0.0 0 0.0 3 21
160 A 160 ALA A 0 0 -52.6 999.9 999.9 999.9 999.9 109.7 0 0.0 0 0.0 0 0.0 0 0.0 2 12
1e88A.pdb
1E88 EXTRACELLULAR MATRIX GLYCOPROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEETTTEEE SSEEEEEESSSSEEEEEE SSS EES BSGGGTS SSEEETTEEESS B SS SSS EEESSS HHHH EEE STT Kabs/Sand
chirality +--++--+----++-+-+----+------+--+---+--++---+-+-+--+----++-++-+---+---+-+++-+-----+-+++++-++------- chirality
bends SSS SS SSSS SSS S SSSSSS SS SS SS SS SSS SSS SSSS SSS bends
turns TTTTT TTTTTT TTTT TTTTTT TTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >33< >33< >33 3-turns
bridge-2 A CC C B bridge-2
bridge-1 AAA AAA BBBBBB BBBBBB CC B DDD DDD C EEE EEE bridge-1
sheets AAA AAA BBBBBB BBBBBB BB CCC CCC DDD DDD sheets
4-turns >444< >>44<< 4-turns
summary EEETTTEEE SSEEEEEEeSSeEEEEEE SSS EEe BgGGGgt SSEEETTEEESS B SS SSSeEEEeSShHHHHheEEEetTT summary
sequence YGHCVTDSGVVYSVGMQWLKTQGNKQMLCTCLGNGVSCQETAVTQTYGGNSNGEPCVLPFTYNGRTFYSCTTEGRQDGHLWCSTTSNYEQDQKYSFCTDH sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand BEEESSTTBB SSEEETTEEE S TT SS EEESSTBHHHH EEE Kabs/Sand
chirality -+--++++-+--+----+-----+--++---+++++-+-----+-+++++-++----- chirality
bends SSSSSS SS SSS S SS SS SSS SSSS bends
turns T TTTT TTTT TTTT TTTTTTTT turns
5-turns 5-turns
3-turns < >33< >33< >33< >33X33< 3-turns
bridge-2 e HHH bridge-2
bridge-1 DF*F DA GGG GGG HHH e FF bridge-1
sheets EEE FFF FFF EEE EEE sheets
4-turns >>44<< 4-turns
summary t BEEEetTTBB SSEEETTEEE S tTTt SS eEEEetThHHHHheEEEe summary
sequence TVLVQTRGGNSNGALCHFPFLYNNHNYTDCTSEGRRDNMKWCGTTQNYDADQKFGFCPMA sequence
110 120 130 140 150 160