Disulfide-constrained Wound Healing Peptide Derived from Pereskia bleo
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS2:SG | 1:CYS18:SG |
2 | disulfide | sing | 1:CYS9:SG | 1:CYS22:SG |
3 | disulfide | sing | 1:CYS17:SG | 1:CYS33:SG |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | GLN | H | H | 7.882 | 0.000 | 1 |
2 | 1 | 1 | GLN | HA | H | 4.460 | 0.002 | 1 |
3 | 1 | 1 | GLN | HB2 | H | 2.040 | 0.001 | |
4 | 1 | 1 | GLN | HB3 | H | 2.040 | 0.001 | |
5 | 1 | 1 | GLN | HG2 | H | 2.578 | 0.001 | |
6 | 1 | 1 | GLN | HG3 | H | 2.457 | 0.002 | |
7 | 1 | 2 | CYS | H | H | 8.121 | 0.001 | 1 |
8 | 1 | 2 | CYS | HA | H | 4.684 | 0.005 | 1 |
9 | 1 | 2 | CYS | HB2 | H | 3.183 | 0.001 | |
10 | 1 | 2 | CYS | HB3 | H | 3.094 | 0.006 | |
11 | 1 | 3 | LYS | H | H | 9.145 | 0.003 | 1 |
12 | 1 | 3 | LYS | HA | H | 4.684 | 0.005 | 1 |
13 | 1 | 3 | LYS | HB2 | H | 1.898 | 0.004 | |
14 | 1 | 3 | LYS | HB3 | H | 1.740 | 0.004 | |
15 | 1 | 3 | LYS | HG2 | H | 1.357 | 0.004 | |
16 | 1 | 3 | LYS | HG3 | H | 1.357 | 0.004 | |
17 | 1 | 3 | LYS | HD2 | H | 1.613 | 0.002 | |
18 | 1 | 3 | LYS | HD3 | H | 1.613 | 0.002 | |
19 | 1 | 4 | PRO | HA | H | 4.437 | 0.003 | 1 |
20 | 1 | 4 | PRO | HB2 | H | 2.333 | 0.005 | |
21 | 1 | 4 | PRO | HB3 | H | 2.071 | 0.008 | |
22 | 1 | 4 | PRO | HG2 | H | 1.921 | 0.004 | |
23 | 1 | 4 | PRO | HG3 | H | 1.921 | 0.004 | |
24 | 1 | 4 | PRO | HD2 | H | 3.676 | 0.006 | |
25 | 1 | 4 | PRO | HD3 | H | 3.971 | 0.002 | |
26 | 1 | 5 | ASN | H | H | 8.608 | 0.004 | 1 |
27 | 1 | 5 | ASN | HA | H | 4.151 | 0.003 | 1 |
28 | 1 | 5 | ASN | HB2 | H | 2.745 | 0.005 | |
29 | 1 | 5 | ASN | HB3 | H | 2.745 | 0.005 | |
30 | 1 | 5 | ASN | HD21 | H | 7.462 | 0.004 | |
31 | 1 | 5 | ASN | HD22 | H | 6.559 | 0.001 | |
32 | 1 | 6 | GLY | H | H | 9.242 | 0.002 | 1 |
33 | 1 | 6 | GLY | HA2 | H | 4.523 | 0.002 | |
34 | 1 | 6 | GLY | HA3 | H | 3.560 | 0.002 | |
35 | 1 | 7 | ALA | H | H | 7.728 | 0.001 | 1 |
36 | 1 | 7 | ALA | HA | H | 4.381 | 0.001 | 1 |
37 | 1 | 7 | ALA | HB1 | H | 1.478 | 0.005 | 1 |
38 | 1 | 7 | ALA | HB2 | H | 1.478 | 0.005 | 1 |
39 | 1 | 7 | ALA | HB3 | H | 1.478 | 0.005 | 1 |
40 | 1 | 8 | LYS | H | H | 8.319 | 0.001 | 1 |
41 | 1 | 8 | LYS | HA | H | 4.679 | 0.004 | 1 |
42 | 1 | 8 | LYS | HB2 | H | 1.892 | 0.000 | |
43 | 1 | 8 | LYS | HB3 | H | 1.797 | 0.005 | |
44 | 1 | 8 | LYS | HG2 | H | 1.623 | 0.000 | |
45 | 1 | 8 | LYS | HG3 | H | 1.623 | 0.000 | |
46 | 1 | 8 | LYS | HD2 | H | 1.703 | 0.000 | |
47 | 1 | 8 | LYS | HD3 | H | 1.703 | 0.000 | |
48 | 1 | 9 | CYS | H | H | 8.088 | 0.004 | 1 |
49 | 1 | 9 | CYS | HA | H | 4.920 | 0.002 | 1 |
50 | 1 | 9 | CYS | HB2 | H | 3.082 | 0.005 | |
51 | 1 | 9 | CYS | HB3 | H | 2.946 | 0.004 | |
52 | 1 | 10 | THR | H | H | 8.379 | 0.005 | 1 |
53 | 1 | 10 | THR | HA | H | 4.558 | 0.008 | 1 |
54 | 1 | 10 | THR | HG21 | H | 1.206 | 0.003 | 1 |
55 | 1 | 10 | THR | HG22 | H | 1.206 | 0.003 | 1 |
56 | 1 | 10 | THR | HG23 | H | 1.206 | 0.003 | 1 |
57 | 1 | 11 | GLU | H | H | 9.141 | 0.002 | 1 |
58 | 1 | 11 | GLU | HA | H | 4.060 | 0.003 | 1 |
59 | 1 | 11 | GLU | HB2 | H | 2.089 | 0.001 | |
60 | 1 | 11 | GLU | HB3 | H | 2.089 | 0.001 | |
61 | 1 | 11 | GLU | HG2 | H | 2.471 | 0.001 | |
62 | 1 | 11 | GLU | HG3 | H | 2.471 | 0.001 | |
63 | 1 | 12 | ILE | H | H | 7.562 | 0.001 | 1 |
64 | 1 | 12 | ILE | HA | H | 4.527 | 0.005 | 1 |
65 | 1 | 12 | ILE | HB | H | 2.089 | 0.002 | 1 |
66 | 1 | 12 | ILE | HG12 | H | 1.212 | 0.001 | |
67 | 1 | 12 | ILE | HG13 | H | 1.212 | 0.001 | |
68 | 1 | 12 | ILE | HG21 | H | 1.073 | 0.004 | 1 |
69 | 1 | 12 | ILE | HG22 | H | 1.073 | 0.004 | 1 |
70 | 1 | 12 | ILE | HG23 | H | 1.073 | 0.004 | 1 |
71 | 1 | 12 | ILE | HD11 | H | 0.859 | 0.002 | 1 |
72 | 1 | 12 | ILE | HD12 | H | 0.859 | 0.002 | 1 |
73 | 1 | 12 | ILE | HD13 | H | 0.859 | 0.002 | 1 |
74 | 1 | 13 | SER | H | H | 7.477 | 0.003 | 1 |
75 | 1 | 13 | SER | HA | H | 4.189 | 0.002 | 1 |
76 | 1 | 13 | SER | HB2 | H | 3.943 | 0.004 | |
77 | 1 | 13 | SER | HB3 | H | 3.943 | 0.004 | |
78 | 1 | 14 | ILE | H | H | 8.035 | 0.009 | 1 |
79 | 1 | 14 | ILE | HA | H | 4.184 | 0.004 | 1 |
80 | 1 | 14 | ILE | HB | H | 1.786 | 0.005 | 1 |
81 | 1 | 14 | ILE | HG12 | H | 1.499 | 0.004 | |
82 | 1 | 14 | ILE | HG13 | H | 1.499 | 0.004 | |
83 | 1 | 14 | ILE | HG21 | H | 1.110 | 0.001 | 1 |
84 | 1 | 14 | ILE | HG22 | H | 1.110 | 0.001 | 1 |
85 | 1 | 14 | ILE | HG23 | H | 1.110 | 0.001 | 1 |
86 | 1 | 14 | ILE | HD11 | H | 0.875 | 0.005 | 1 |
87 | 1 | 14 | ILE | HD12 | H | 0.875 | 0.005 | 1 |
88 | 1 | 14 | ILE | HD13 | H | 0.875 | 0.005 | 1 |
89 | 1 | 15 | PRO | HA | H | 4.896 | 0.003 | 1 |
90 | 1 | 15 | PRO | HB2 | H | 2.492 | 0.004 | |
91 | 1 | 15 | PRO | HB3 | H | 1.934 | 0.000 | |
92 | 1 | 15 | PRO | HG2 | H | 1.804 | 0.004 | |
93 | 1 | 15 | PRO | HG3 | H | 1.804 | 0.004 | |
94 | 1 | 15 | PRO | HD2 | H | 3.639 | 0.000 | |
95 | 1 | 15 | PRO | HD3 | H | 3.454 | 0.000 | |
96 | 1 | 16 | PRO | HA | H | 4.537 | 0.000 | 1 |
97 | 1 | 16 | PRO | HB2 | H | 2.411 | 0.000 | |
98 | 1 | 16 | PRO | HB3 | H | 2.125 | 0.004 | |
99 | 1 | 16 | PRO | HG2 | H | 1.909 | 0.000 | |
100 | 1 | 16 | PRO | HG3 | H | 1.909 | 0.000 | |
101 | 1 | 16 | PRO | HD2 | H | 3.749 | 0.002 | |
102 | 1 | 16 | PRO | HD3 | H | 3.749 | 0.002 | |
103 | 1 | 17 | CYS | H | H | 9.031 | 0.003 | 1 |
104 | 1 | 17 | CYS | HA | H | 4.834 | 0.004 | 1 |
105 | 1 | 17 | CYS | HB2 | H | 3.653 | 0.004 | |
106 | 1 | 17 | CYS | HB3 | H | 2.429 | 0.005 | |
107 | 1 | 18 | CYS | H | H | 10.346 | 0.001 | 1 |
108 | 1 | 18 | CYS | HA | H | 4.458 | 0.002 | 1 |
109 | 1 | 18 | CYS | HB2 | H | 3.196 | 0.005 | |
110 | 1 | 18 | CYS | HB3 | H | 2.861 | 0.007 | |
111 | 1 | 19 | SER | H | H | 9.388 | 0.001 | 1 |
112 | 1 | 19 | SER | HA | H | 4.248 | 0.003 | 1 |
113 | 1 | 19 | SER | HB2 | H | 3.956 | 0.004 | |
114 | 1 | 19 | SER | HB3 | H | 3.956 | 0.004 | |
115 | 1 | 20 | ASN | H | H | 8.140 | 0.001 | 1 |
116 | 1 | 20 | ASN | HA | H | 4.357 | 0.004 | 1 |
117 | 1 | 20 | ASN | HB2 | H | 3.273 | 0.005 | |
118 | 1 | 20 | ASN | HB3 | H | 2.941 | 0.004 | |
119 | 1 | 20 | ASN | HD21 | H | 6.856 | 0.001 | |
120 | 1 | 20 | ASN | HD22 | H | 6.856 | 0.001 | |
121 | 1 | 21 | PHE | H | H | 8.395 | 0.002 | 1 |
122 | 1 | 21 | PHE | HA | H | 4.861 | 0.004 | 1 |
123 | 1 | 21 | PHE | HB2 | H | 3.304 | 0.004 | |
124 | 1 | 21 | PHE | HB3 | H | 2.755 | 0.003 | |
125 | 1 | 21 | PHE | HD1 | H | 7.104 | 0.002 | |
126 | 1 | 21 | PHE | HD2 | H | 7.275 | 0.004 | |
127 | 1 | 22 | CYS | H | H | 8.236 | 0.006 | 1 |
128 | 1 | 22 | CYS | HA | H | 4.548 | 0.003 | 1 |
129 | 1 | 22 | CYS | HB2 | H | 2.599 | 0.012 | |
130 | 1 | 22 | CYS | HB3 | H | 2.555 | 0.002 | |
131 | 1 | 23 | LEU | H | H | 8.321 | 0.003 | 1 |
132 | 1 | 23 | LEU | HA | H | 3.679 | 0.007 | 1 |
133 | 1 | 23 | LEU | HB2 | H | 1.895 | 0.002 | |
134 | 1 | 23 | LEU | HB3 | H | 1.111 | 0.000 | |
135 | 1 | 23 | LEU | HG | H | 0.985 | 0.004 | 1 |
136 | 1 | 23 | LEU | HD11 | H | 0.843 | 0.002 | |
137 | 1 | 23 | LEU | HD12 | H | 0.843 | 0.002 | |
138 | 1 | 23 | LEU | HD13 | H | 0.843 | 0.002 | |
139 | 1 | 23 | LEU | HD21 | H | 0.782 | 0.007 | |
140 | 1 | 23 | LEU | HD22 | H | 0.782 | 0.007 | |
141 | 1 | 23 | LEU | HD23 | H | 0.782 | 0.007 | |
142 | 1 | 24 | ARG | H | H | 8.194 | 0.002 | 1 |
143 | 1 | 24 | ARG | HA | H | 4.537 | 0.002 | 1 |
144 | 1 | 24 | ARG | HB2 | H | 1.721 | 0.003 | |
145 | 1 | 24 | ARG | HB3 | H | 1.370 | 0.006 | |
146 | 1 | 24 | ARG | HG2 | H | 1.227 | 0.006 | |
147 | 1 | 24 | ARG | HG3 | H | 1.227 | 0.006 | |
148 | 1 | 24 | ARG | HD2 | H | 3.080 | 0.010 | |
149 | 1 | 24 | ARG | HD3 | H | 2.839 | 0.004 | |
150 | 1 | 24 | ARG | HE | H | 7.077 | 0.001 | 1 |
151 | 1 | 25 | TYR | H | H | 8.670 | 0.002 | 1 |
152 | 1 | 25 | TYR | HA | H | 4.633 | 0.004 | 1 |
153 | 1 | 25 | TYR | HB2 | H | 3.170 | 0.003 | |
154 | 1 | 25 | TYR | HB3 | H | 2.670 | 0.005 | |
155 | 1 | 25 | TYR | HD1 | H | 7.175 | 0.003 | |
156 | 1 | 25 | TYR | HD2 | H | 6.840 | 0.003 | |
157 | 1 | 26 | ALA | H | H | 8.548 | 0.001 | 1 |
158 | 1 | 26 | ALA | HA | H | 4.116 | 0.002 | 1 |
159 | 1 | 26 | ALA | HB1 | H | 1.392 | 0.004 | 1 |
160 | 1 | 26 | ALA | HB2 | H | 1.392 | 0.004 | 1 |
161 | 1 | 26 | ALA | HB3 | H | 1.392 | 0.004 | 1 |
162 | 1 | 27 | GLY | H | H | 8.635 | 0.002 | 1 |
163 | 1 | 27 | GLY | HA2 | H | 3.753 | 0.003 | |
164 | 1 | 27 | GLY | HA3 | H | 3.753 | 0.003 | |
165 | 1 | 28 | GLN | H | H | 8.009 | 0.001 | 1 |
166 | 1 | 28 | GLN | HA | H | 4.543 | 0.001 | 1 |
167 | 1 | 28 | GLN | HB2 | H | 2.371 | 0.006 | |
168 | 1 | 28 | GLN | HB3 | H | 2.268 | 0.006 | |
169 | 1 | 28 | GLN | HG2 | H | 2.506 | 0.004 | |
170 | 1 | 28 | GLN | HG3 | H | 2.506 | 0.004 | |
171 | 1 | 28 | GLN | HE21 | H | 6.865 | 0.000 | |
172 | 1 | 28 | GLN | HE22 | H | 6.865 | 0.000 | |
173 | 1 | 29 | LYS | H | H | 8.703 | 0.001 | 1 |
174 | 1 | 29 | LYS | HA | H | 4.197 | 0.002 | 1 |
175 | 1 | 29 | LYS | HB2 | H | 1.877 | 0.000 | |
176 | 1 | 29 | LYS | HB3 | H | 1.877 | 0.000 | |
177 | 1 | 29 | LYS | HG2 | H | 1.568 | 0.000 | |
178 | 1 | 29 | LYS | HG3 | H | 1.568 | 0.000 | |
179 | 1 | 29 | LYS | HE2 | H | 3.032 | 0.000 | |
180 | 1 | 29 | LYS | HE3 | H | 3.032 | 0.000 | |
181 | 1 | 30 | SER | H | H | 7.795 | 0.002 | 1 |
182 | 1 | 30 | SER | HA | H | 4.825 | 0.003 | 1 |
183 | 1 | 30 | SER | HB2 | H | 3.861 | 0.007 | |
184 | 1 | 30 | SER | HB3 | H | 3.861 | 0.007 | |
185 | 1 | 31 | GLY | H | H | 8.793 | 0.002 | 1 |
186 | 1 | 31 | GLY | HA2 | H | 4.504 | 0.003 | |
187 | 1 | 31 | GLY | HA3 | H | 3.796 | 0.004 | |
188 | 1 | 32 | THR | H | H | 8.204 | 0.004 | 1 |
189 | 1 | 32 | THR | HA | H | 5.215 | 0.003 | 1 |
190 | 1 | 32 | THR | HB | H | 4.551 | 0.000 | 1 |
191 | 1 | 32 | THR | HG21 | H | 1.113 | 0.009 | 1 |
192 | 1 | 32 | THR | HG22 | H | 1.113 | 0.009 | 1 |
193 | 1 | 32 | THR | HG23 | H | 1.113 | 0.009 | 1 |
194 | 1 | 33 | CYS | H | H | 9.194 | 0.004 | 1 |
195 | 1 | 33 | CYS | HA | H | 5.018 | 0.005 | 1 |
196 | 1 | 33 | CYS | HB2 | H | 3.572 | 0.006 | |
197 | 1 | 33 | CYS | HB3 | H | 2.956 | 0.001 | |
198 | 1 | 34 | ALA | H | H | 8.751 | 0.001 | 1 |
199 | 1 | 34 | ALA | HA | H | 4.648 | 0.008 | 1 |
200 | 1 | 34 | ALA | HB1 | H | 1.418 | 0.003 | 1 |
201 | 1 | 34 | ALA | HB2 | H | 1.418 | 0.003 | 1 |
202 | 1 | 34 | ALA | HB3 | H | 1.418 | 0.003 | 1 |
203 | 1 | 35 | ASN | H | H | 8.435 | 0.004 | 1 |
204 | 1 | 35 | ASN | HA | H | 4.952 | 0.007 | 1 |
205 | 1 | 35 | ASN | HB2 | H | 2.854 | 0.002 | |
206 | 1 | 35 | ASN | HB3 | H | 2.674 | 0.003 | |
207 | 1 | 35 | ASN | HD21 | H | 7.627 | 0.001 | |
208 | 1 | 35 | ASN | HD22 | H | 6.960 | 0.004 | |
209 | 1 | 36 | ARG | H | H | 8.310 | 0.003 | 1 |
210 | 1 | 36 | ARG | HA | H | 3.630 | 0.004 | 1 |
211 | 1 | 36 | ARG | HB2 | H | 1.482 | 0.002 | |
212 | 1 | 36 | ARG | HB3 | H | 1.332 | 0.000 | |
213 | 1 | 36 | ARG | HG2 | H | 1.111 | 0.000 | |
214 | 1 | 36 | ARG | HG3 | H | 1.111 | 0.000 |