Secondary structure calculation program - copyright by David Keith Smith, 1989
1irp-.pdb
1IRP CYTOKINE INTERLEUKIN-1 RECEPTOR ANTAGONIST PROTEIN HUMAN (HOMO SAPIENS) RECOMBINANT FORM EXPRESSED IN
Sequence length - 153
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 MET M 0 0 999.9 96.0 -176.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 12 50
2 2 ARG R - 0 0 -135.6 123.6 178.0 -135.7 999.9 168.3 0 0.0 4 -2.1 0 0.0 0 0.0 8 43
3 3 PRO P - 0 0 -78.8 69.5 -178.0 -84.8 64.2 112.2 0 0.0 5 -1.9 0 0.0 0 0.0 7 36
4 4 SER S + 0 0 67.1 -74.0 -176.1 176.6 64.3 117.0 2 -2.1 0 0.0 0 0.0 0 0.0 6 28
5 5 GLY G + 0 0 79.0 -119.5 176.0 23.6 61.2 131.9 3 -1.9 0 0.0 0 0.0 0 0.0 5 19
6 6 ARG R S t > TS- 0 0 -80.8 133.3 -176.4 -115.1 92.4 130.0 0 0.0 9 -1.1 0 0.0 0 0.0 5 10
7 7 LYS K T T 3 TS+ 0 0 -75.8 138.2 -173.9 3.7 93.6 115.6 0 0.0 0 0.0 0 0.0 0 0.0 5 10
8 8 SER S T T 3 TS+ 0 0 58.3 23.2 -177.4 130.1 95.6 49.1 0 0.0 10 -0.8 0 0.0 0 0.0 5 11
9 9 SER S S t < TS- 0 0 -112.4 86.5 178.5 -70.8 79.5 140.0 6 -1.1 0 0.0 0 0.0 0 0.0 5 13
10 10 LYS K - 0 0 28.6 97.8 170.4 -142.9 43.8 33.2 8 -0.8 0 0.0 0 0.0 0 0.0 4 21
11 11 MET M - 0 0 -73.7 133.2 -175.3 -127.2 20.5 130.3 0 0.0 13 -1.6 0 0.0 0 0.0 7 31
12 12 GLN Q e + 0 0 -84.1 57.3 -175.3 171.2 42.2 103.0 0 0.0 49 -2.0 0 0.0 14 -0.5 10 40
13 13 ALA A E E AA - 48 0 -76.5 114.7 -172.7 -170.7 12.1 119.1 11 -1.6 152 -3.3 0 0.0 0 0.0 10 37
14 14 PHE F E E AAB - 47 151 -119.2 149.0 -177.7 -179.5 17.3 144.6 47 -2.7 47 -1.7 12 -0.5 0 0.0 13 44
15 15 ARG R E E A B - 0 150 -139.2 151.0 -179.1 -151.6 11.8 164.5 150 -2.9 150 -2.6 0 0.0 0 0.0 12 46
16 16 ILE I E E A B + 0 149 -135.1 141.0 -179.4 139.2 26.3 166.8 0 0.0 24 -2.0 0 0.0 0 0.0 10 55
17 17 TRP W E E ACB - 23 148 -151.9 -168.1 170.2 -116.4 37.4 142.0 148 -2.2 148 -1.6 0 0.0 0 0.0 12 47
18 18 ASP D E E >AC > T - 22 0 -150.5 145.7 -176.8 -119.2 22.4 166.4 22 -2.8 22 -1.9 0 0.0 21 -0.7 11 39
19 19 VAL V T T 4 3 TS+ 0 0 -55.8 -19.2 175.2 79.7 100.5 53.0 0 0.0 0 0.0 0 0.0 0 0.0 6 25
20 20 ASN N T T 4 3 TS- 0 0 -77.4 25.5 -175.6 -86.4 126.6 80.1 0 0.0 0 0.0 0 0.0 0 0.0 4 24
21 21 GLN Q T T 4 < TS+ 0 0 64.4 63.3 -175.3 132.3 91.7 12.7 18 -0.7 0 0.0 0 0.0 0 0.0 7 23
22 22 LYS K E E >T + 47 66 152.8 -94.4 -174.9 171.8 31.3 140.0 66 -2.5 66 -2.2 0 0.0 64 -0.7 12 44
62 62 HIS H T e 35TS- 0 0 55.2 68.5 -177.3 -36.6 90.1 7.2 46 -1.9 64 -1.5 0 0.0 0 0.0 10 45
63 63 GLY G T T 35TS+ 0 0 84.0 -65.1 -178.5 6.8 139.7 114.5 0 0.0 0 0.0 0 0.0 0 0.0 7 39
64 64 GLY G T T <5TS- 0 0 -159.6 88.1 176.2 -42.6 123.3 119.9 62 -1.5 0 0.0 61 -0.7 0 0.0 5 31
65 65 LYS K T e 5TS+ 0 0 60.3 53.7 175.8 153.1 72.4 28.2 0 0.0 84 -2.0 0 0.0 67 -0.6 10 37
66 66 MET M E E AFG T - 0 76 -102.1 61.9 -175.5 -82.2 65.9 119.6 76 -2.2 75 -0.9 71 -0.7 76 -0.8 7 19
74 74 GLY G T T 3 TS- 0 0 78.1 -103.7 174.7 -3.4 114.0 134.2 72 -0.6 0 0.0 0 0.0 0 0.0 5 9
75 75 ASP D T T 3 TS+ 0 0 -83.5 -47.3 179.9 64.1 129.7 23.4 73 -0.9 0 0.0 0 0.0 0 0.0 5 13
76 76 GLU E E E AG < T - 73 0 -77.3 161.3 176.8 -158.9 63.1 96.4 73 -0.8 73 -2.2 0 0.0 0 0.0 6 23
77 77 THR T E E AG + 72 0 -145.1 124.2 178.3 166.0 17.0 157.2 0 0.0 0 0.0 0 0.0 0 0.0 11 36
78 78 ARG R E E AG - 71 0 -130.8 171.1 178.3 -76.6 45.7 141.6 71 -0.6 71 -1.8 0 0.0 0 0.0 10 47
79 79 LEU L E E AG + 70 0 -73.5 123.9 -178.0 171.4 57.5 126.2 0 0.0 0 0.0 0 0.0 0 0.0 11 57
80 80 GLN Q E E AG - 69 0 -139.8 146.8 174.2 -134.2 40.1 171.9 69 -2.1 69 -2.0 0 0.0 82 -1.0 11 48
81 81 LEU L E E AG - 68 0 -96.1 83.3 179.2 -170.5 35.7 140.0 0 0.0 0 0.0 0 0.0 0 0.0 11 49
82 82 GLU E E E AG - 67 0 -80.3 138.7 -178.5 -114.0 27.4 126.8 67 -2.1 67 -2.8 80 -1.0 84 -0.8 8 36
83 83 ALA A E E AG - 66 0 -77.7 107.2 -177.8 -154.5 27.7 126.3 0 0.0 85 -0.9 0 0.0 0 0.0 7 30
84 84 VAL V e - 0 0 -90.0 106.4 -178.2 -166.8 6.7 135.9 65 -2.0 86 -0.7 82 -0.8 0 0.0 7 31
85 85 ASN N + 0 0 -86.6 42.7 179.8 75.7 62.0 98.8 83 -0.9 0 0.0 0 0.0 0 0.0 5 20
86 86 ILE I - 0 0 -155.7 122.9 177.2 -172.3 49.0 160.4 84 -0.7 0 0.0 0 0.0 0 0.0 5 19
87 87 THR T S S S+ 0 0 -86.3 -22.8 -176.6 58.5 84.7 41.3 0 0.0 0 0.0 0 0.0 0 0.0 6 21
88 88 ASP D S S S+ 0 0 -77.5 -44.1 -179.3 69.8 89.9 29.8 0 0.0 90 -0.9 0 0.0 0 0.0 5 15
89 89 LEU L + 0 0 -85.2 103.6 179.0 147.1 59.3 135.0 0 0.0 0 0.0 0 0.0 0 0.0 5 22
90 90 SER S - 0 0 -140.3 118.0 -173.4 -128.0 42.7 159.9 88 -0.9 0 0.0 0 0.0 0 0.0 8 34
91 91 GLU E - 0 0 -78.5 126.1 174.3 -177.4 21.4 116.1 0 0.0 0 0.0 0 0.0 0 0.0 5 35
92 92 ASN N S S S- 0 0 -83.2 -38.5 -179.7 -6.0 86.2 33.7 0 0.0 0 0.0 0 0.0 0 0.0 7 31
93 93 ARG R S S S+ 0 0 -123.2 -64.9 178.3 177.8 81.8 48.4 0 0.0 0 0.0 0 0.0 0 0.0 8 27
94 94 LYS K - 0 0 67.8 147.8 177.0 -96.5 30.0 58.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
95 95 GLN Q - 0 0 -88.9 172.2 179.5 -74.0 50.9 110.9 0 0.0 97 -0.7 0 0.0 0 0.0 4 27
96 96 ASP D S S S+ 0 0 -74.9 108.3 176.4 123.0 77.5 125.3 0 0.0 0 0.0 0 0.0 0 0.0 9 28
97 97 LYS K S t > TS- 0 0 -150.1 172.9 179.2 -65.3 79.4 156.4 95 -0.7 99 -2.2 0 0.0 100 -1.2 7 30
98 98 ARG R T T 3 TS+ 0 0 -73.3 80.4 -179.2 69.3 116.6 113.3 0 0.0 0 0.0 0 0.0 0 0.0 13 40
99 99 PHE F T T 3 TS+ 0 0 -166.0 -20.8 -178.7 72.8 81.3 69.2 97 -2.2 0 0.0 0 0.0 0 0.0 12 52
100 100 ALA A E E BH < T - 115 0 -108.6 178.5 -178.3 -148.0 55.4 121.6 115 -1.2 115 -1.9 97 -1.2 0 0.0 14 53
101 101 PHE F E E BHB - 114 57 -143.3 142.4 172.4 -135.5 15.1 178.2 57 -2.4 57 -1.3 0 0.0 103 -0.8 12 58
102 102 ILE I E E BH - 113 0 -98.1 109.6 179.1 -153.2 22.9 151.6 113 -0.7 113 -2.4 0 0.0 104 -1.2 12 47
103 103 ARG R E E BH - 112 0 -86.3 92.6 -178.4 -166.3 8.1 135.0 101 -0.8 105 -1.7 0 0.0 0 0.0 10 51
104 104 SER S e - 0 0 -84.3 74.6 -177.6 -174.5 9.1 118.4 111 -2.0 106 -0.7 102 -1.2 0 0.0 8 39
105 105 ASP D - 0 0 -76.9 104.5 179.0 -167.8 11.3 121.8 103 -1.7 107 -1.2 0 0.0 0 0.0 8 33
106 106 SER S B B C > T - 109 0 -92.2 69.1 -174.7 -71.6 63.7 121.6 109 -2.5 109 -0.6 104 -0.7 0 0.0 6 22
107 107 GLY G T T 3 TS+ 0 0 76.3 -110.7 178.0 3.7 121.5 137.6 105 -1.2 0 0.0 0 0.0 0 0.0 5 17
108 108 PRO P T e 3 TS+ 0 0 -78.8 -19.5 -176.6 53.3 128.5 47.8 0 0.0 149 -1.2 0 0.0 0 0.0 7 21
109 109 THR T E E AIC< T - 148 106 -123.0 144.9 -178.5 -165.3 65.6 159.8 106 -0.6 106 -2.5 0 0.0 0 0.0 10 31
110 110 THR T E E AI - 147 0 -120.0 -175.5 -175.2 -149.7 13.6 115.1 147 -3.2 147 -1.6 0 0.0 0 0.0 14 42
111 111 SER S e - 0 0 -152.7 140.2 -176.9 -129.0 21.4 162.8 0 0.0 104 -2.0 0 0.0 113 -0.7 12 50
112 112 PHE F E E BHJ - 103 122 -110.4 102.0 173.3 -164.9 13.5 138.1 122 -1.5 122 -0.8 0 0.0 0 0.0 13 60
113 113 GLU E E E BHJ - 102 121 -73.2 151.9 -167.7 -137.2 24.5 114.3 102 -2.4 102 -0.7 111 -0.7 0 0.0 15 51
114 114 SER S E E BHJ S+ 101 120 -128.7 143.1 -165.8 7.4 73.8 165.0 120 -2.1 120 -1.5 0 0.0 116 -1.2 17 48
115 115 ALA A E E BHJ S- 100 119 82.8 -87.6 152.2 -97.9 118.4 152.4 100 -1.9 100 -1.2 0 0.0 0 0.0 14 43
116 116 ALA A S e S+ 0 0 -168.8 -76.2 177.4 9.0 94.7 110.8 118 -2.1 0 0.0 114 -1.2 0 0.0 14 43
117 117 CYS C S S S+ 0 0 -78.3 -71.7 165.8 20.3 137.4 16.4 0 0.0 0 0.0 0 0.0 0 0.0 8 33
118 118 PRO P S e S+ 0 0 -77.0 179.8 176.8 71.9 98.5 105.2 0 0.0 116 -2.1 0 0.0 0 0.0 6 30
119 119 GLY G E E BJ S- 115 0 124.5 -99.8 -177.9 -14.2 91.9 147.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
120 120 TRP W E E BJ - 114 0 -141.5 168.6 -167.2 -100.3 65.7 158.3 114 -1.5 114 -2.1 0 0.0 122 -0.6 11 43
121 121 PHE F E E BJK - 113 135 -121.3 115.0 164.2 -108.2 28.5 145.2 135 -2.8 135 -2.4 0 0.0 123 -2.0 13 44
122 122 LEU L E E BJK + 112 134 10.5 8.4 -170.8 118.1 62.8 96.2 112 -0.8 112 -1.5 120 -0.6 0 0.0 13 53
123 123 CYS C E E B K - 0 133 -100.9 -169.5 178.3 -157.1 37.9 87.6 121 -2.0 133 -1.7 133 -1.2 0 0.0 14 51
124 124 THR T E E B K - 0 132 -159.6 147.6 177.0 -86.2 38.1 161.8 0 0.0 144 -2.9 0 0.0 0 0.0 12 55
125 125 ALA A e - 0 0 -58.9 144.7 -175.7 -136.9 32.4 102.9 131 -2.1 0 0.0 0 0.0 0 0.0 12 44
126 126 MET M S S S+ 0 0 -74.3 -49.8 -176.9 38.0 73.6 20.8 0 0.0 0 0.0 0 0.0 0 0.0 8 36
127 127 GLU E S S S- 0 0 -106.9 177.7 -173.5 -68.7 99.6 114.3 0 0.0 129 -2.2 0 0.0 0 0.0 8 31
128 128 ALA A S S S+ 0 0 -64.4 57.8 175.6 42.0 110.6 104.1 0 0.0 0 0.0 0 0.0 0 0.0 9 29
129 129 ASP D S S S+ 0 0 -160.8 -47.8 -177.1 67.9 90.3 68.3 127 -2.2 0 0.0 0 0.0 0 0.0 9 28
130 130 GLN Q - 0 0 -87.3 163.0 -175.0 -126.2 69.6 114.7 0 0.0 33 -2.0 0 0.0 0 0.0 8 33
131 131 PRO P B e A - 32 0 -98.8 -166.0 171.6 -50.2 39.6 94.2 0 0.0 125 -2.1 0 0.0 0 0.0 11 45
132 132 VAL V E E BK - 124 0 -61.1 136.2 -172.4 -154.0 58.8 115.4 31 -1.6 0 0.0 0 0.0 0 0.0 13 60
133 133 SER S E E BK - 123 0 -135.3 115.7 173.3 -165.1 26.3 154.3 123 -1.7 123 -1.2 0 0.0 135 -1.1 11 52
134 134 LEU L E E BK - 122 0 -92.2 95.7 -169.1 -169.2 42.2 141.5 0 0.0 0 0.0 0 0.0 0 0.0 14 55
135 135 THR T E E BK - 121 0 -89.2 173.9 176.3 -116.8 35.6 98.9 121 -2.4 121 -2.8 133 -1.1 0 0.0 9 41
136 136 ASN N S S S+ 0 0 -86.4 -16.1 -177.3 41.3 94.0 50.4 0 0.0 0 0.0 0 0.0 0 0.0 6 34
137 137 MET M S S S- 0 0 -131.2 158.0 178.4 -110.2 81.6 155.6 0 0.0 0 0.0 0 0.0 0 0.0 6 25
138 138 PRO P - 0 0 -74.5 -168.6 -178.8 -61.8 59.9 85.6 0 0.0 140 -2.1 0 0.0 0 0.0 8 28
139 139 ASP D S S S+ 0 0 -79.6 65.7 174.7 137.0 77.5 108.8 0 0.0 0 0.0 0 0.0 0 0.0 8 26
140 140 GLU E S S S- 0 0 -101.2 54.3 -173.2 -52.1 99.1 111.1 138 -2.1 0 0.0 0 0.0 0 0.0 5 15
141 141 GLY G S S S+ 0 0 72.4 57.9 -172.6 111.3 114.6 17.7 0 0.0 0 0.0 0 0.0 0 0.0 4 17
142 142 VAL V S S S- 0 0 -122.8 -76.4 -174.8 -35.8 71.0 46.7 0 0.0 0 0.0 0 0.0 0 0.0 6 24
143 143 MET M S S S- 0 0 -146.2 -170.7 -176.1 -60.1 72.3 133.2 0 0.0 145 -1.1 0 0.0 0 0.0 9 35
144 144 VAL V + 0 0 -92.3 90.6 168.6 151.8 51.0 131.5 124 -2.9 0 0.0 0 0.0 0 0.0 10 49
145 145 THR T + 0 0 -104.4 48.6 -179.9 79.5 60.4 110.1 143 -1.1 0 0.0 0 0.0 0 0.0 11 50
146 146 LYS K + 0 0 -153.3 76.1 -174.2 154.3 62.3 124.6 0 0.0 0 0.0 0 0.0 0 0.0 9 44
147 147 PHE F E E A I - 0 110 -121.8 140.0 -174.9 -111.7 43.2 155.6 110 -1.6 110 -3.2 0 0.0 0 0.0 11 47
148 148 TYR Y E E ABI - 17 109 -76.1 135.7 -174.0 -137.6 25.1 115.9 17 -1.6 17 -2.2 0 0.0 150 -0.5 11 37
149 149 PHE F E E AB + 16 0 -99.6 116.1 -179.1 177.3 25.3 144.2 108 -1.2 0 0.0 0 0.0 0 0.0 11 44
150 150 GLN Q E E AB - 15 0 -123.2 143.3 179.8 -147.0 14.3 162.3 15 -2.6 15 -2.9 148 -0.5 0 0.0 8 34
151 151 GLU E E E AB - 14 0 -111.1 151.0 176.9 -17.4 54.2 140.5 0 0.0 0 0.0 0 0.0 0 0.0 8 31
152 152 ASP D e 0 0 61.7 -140.5 -175.9 999.9 999.9 105.9 13 -3.3 0 0.0 0 0.0 0 0.0 8 23
153 153 GLU E 0 0 -114.3 999.9 999.9 999.9 999.9 159.6 0 0.0 0 0.0 0 0.0 0 0.0 2 23
1irp-.pdb
1IRP CYTOKINE INTERLEUKIN-1 RECEPTOR ANTAGONIST PROTEIN HUMAN (HOMO SAPIENS) RECOMBINANT FORM EXPRESSED IN
author author
Kabs/Sand STTS EEEEEETTTEEEEESSSSEEEES SSS EEEEESSSS EEEEETTTTEEEEEEEETTEEEEEEEE SS SS SSTTE Kabs/Sand
chirality --++-++---+---+--+-+--+-+--+-----+-++--++--++------+-++--+++-+-+--+---+--+-+-+-----+-+++---+--+-++- chirality
bends SSSS SSS SSSS SS SSS SSSS S SSSS SS SS SS SSSS bends
turns TTTT TTTTT TTTTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33< 3-turns
bridge-2 BBBB DDDD A EEEEE B FFF GGGGGGGG bridge-2
bridge-1 AA CC CC DDDD AA EEEEE FFF GGGGGGGG H bridge-1
sheets AAAAAA AAAAA AAAA AAAAA AAAAA AAAAAAAA AAAAAAAA B sheets
4-turns >444< 4-turns
summary tTTt eEEEEEETTTEEEEEeSSeEEEES SSS eEEEEEeSSSeEEEEEeTTeEEEEEEEETTEEEEEEEEe SS SS StTTE summary
sequence MRPSGRKSSKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPHALFLGIHGGKMCLSCVKSGDETRLQLEAVNITDLSENRKQDKRFA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEE BTTEE EEEESSSEEEEEE SSSS BEEEESS SSSSS EEEEE Kabs/Sand
chirality ------++-----+-+++---+---+-++------+--+-+--+++--+-- chirality
bends SS SSSSSS SSSS SS SSSSS bends
turns TTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 B C JJJJ KKKK II bridge-2
bridge-1 HHH C II HHHH JJJJ AKKKK BBBB bridge-1
sheets BBB AA BBBB BBBBBB BBBB AAAAA sheets
4-turns 4-turns
summary EEEe BTeEEeEEEEeSeEEEEEEeSSSS eEEEESS SSSSS EEEEEe summary
sequence FIRSDSGPTTSFESAACPGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQEDE sequence
110 120 130 140 150