Saturation Mutagenesis

Predictions for Binding Pocket Residues
# Chain Wild Type Position Mutant Predicted ΔΔGAffinity (kcal/mol) Affinity
1 A ALA 161 PRO -0.86 Decreasing
2 A GLU 198 PHE -1.03 Decreasing
3 A ASN 218 THR 0.19 Increasing
4 A HIS 207 TYR -0.49 Decreasing
5 A ALA 161 TYR 0.73 Increasing
6 A PRO 217 TYR 0.68 Increasing
7 A LEU 214 VAL 0.31 Increasing
8 A VAL 194 THR -0.31 Decreasing
9 A ILE 159 TYR 0.64 Increasing
10 A HIS 201 TYR -0.82 Decreasing
11 A TYR 216 PRO -0.26 Decreasing
12 A LEU 193 PRO 0.11 Increasing
13 A ALA 163 ASP 1.27 Increasing
14 A TYR 219 CYS -0.64 Decreasing
15 A TYR 219 ARG -0.68 Decreasing
16 A TYR 216 GLU 0.26 Increasing
17 A HIS 162 PHE -0.38 Decreasing
18 A VAL 194 ALA -0.22 Decreasing
19 A GLY 158 GLN -0.44 Decreasing
20 A TYR 219 THR -0.56 Decreasing
21 A HIS 197 LEU -1.81 Decreasing
22 A ALA 163 PHE 1.63 Increasing
23 A HIS 162 TYR 2.09 Increasing
24 A GLY 158 ALA 0.03 Increasing
25 A TYR 216 GLY -1.94 Decreasing
26 A GLU 198 LEU -1.44 Decreasing
27 A LEU 214 CYS 0.35 Increasing
28 A LEU 214 GLN -0.45 Decreasing
29 A HIS 207 TRP -0.48 Decreasing
30 A TYR 219 MET -0.03 Decreasing
31 A LEU 214 GLU 0.78 Increasing
32 A HIS 162 CYS 0.2 Increasing
33 A PRO 217 HIS 1.2 Increasing
34 A HIS 201 ILE -1.98 Decreasing
35 A HIS 197 ASP -0.92 Decreasing
36 A PRO 217 CYS 0.28 Increasing
37 A TYR 216 ASN -1.97 Decreasing
38 A ALA 163 TYR 1.38 Increasing
39 A ALA 161 THR 0.33 Increasing
40 A ALA 161 GLN -0.46 Decreasing
41 A ILE 159 VAL 0.58 Increasing
42 A LEU 214 GLY 0.02 Increasing
43 A LEU 214 THR 0.06 Increasing
44 A GLY 158 THR -0.06 Decreasing
45 A HIS 197 ASN -2.18 Decreasing
46 A HIS 201 THR -1.83 Decreasing
47 A HIS 197 ILE -2.4 Decreasing
48 A ILE 159 GLU 0.93 Increasing
49 A LEU 160 PRO -1.67 Decreasing
50 A ILE 159 PRO 0.13 Increasing
51 A LEU 160 THR -0.67 Decreasing
52 A HIS 207 GLY -3.42 Decreasing
53 A TYR 219 ILE -1.06 Decreasing
54 A LEU 160 ASP -0.93 Decreasing
55 A HIS 162 GLU -0.26 Decreasing
56 A ASN 218 MET 0.6 Increasing
57 A LEU 160 ILE -1.3 Decreasing
58 A LEU 160 PHE -1.43 Decreasing
59 A HIS 197 SER -1.6 Decreasing
60 A TYR 216 HIS -1.48 Decreasing
61 A LEU 193 ASN 0.02 Increasing
62 A GLU 198 ALA -1.41 Decreasing
63 A HIS 201 ASN -1.18 Decreasing
64 A HIS 207 GLN -4.01 Decreasing
65 A ALA 163 ASN 0.63 Increasing
66 A HIS 207 GLU -3.53 Decreasing
67 A HIS 201 LYS -1.62 Decreasing
68 A TYR 216 LYS -0.25 Decreasing
69 A TYR 216 THR -1.93 Decreasing
70 A GLU 198 SER -1.34 Decreasing
71 A HIS 197 CYS -1.76 Decreasing
72 A PRO 217 PHE 0.58 Increasing
73 A LEU 193 ASP 0.25 Increasing
74 A HIS 201 MET -1.61 Decreasing
75 A ALA 163 GLN 0.2 Increasing
76 A HIS 201 PRO -1.7 Decreasing
77 A GLU 198 ASP -0.44 Decreasing
78 A GLU 198 GLN -1.68 Decreasing
79 A ALA 163 TRP 1.11 Increasing
80 A LEU 193 CYS 0.31 Increasing
81 A ASN 218 GLY -0.77 Decreasing
82 A PRO 217 TRP 0.51 Increasing
83 A ALA 161 HIS 1.64 Increasing
84 A TYR 219 LYS -0.7 Decreasing
85 A HIS 207 SER -3.52 Decreasing
86 A GLU 198 VAL -1.1 Decreasing
87 A GLY 158 SER 0.14 Increasing
88 A TYR 219 GLY -0.73 Decreasing
89 A GLU 198 MET -1.54 Decreasing
90 A ALA 163 PRO -0.01 Decreasing
91 A TYR 219 PHE -0.28 Decreasing
92 A LEU 214 ILE -0.15 Decreasing
93 A ASN 218 ARG 0.25 Increasing
94 A HIS 197 TRP -1.4 Decreasing
95 A TYR 216 ILE -0.54 Decreasing
96 A LEU 214 ASN -0.01 Decreasing
97 A ALA 161 GLY 0.37 Increasing
98 A ILE 159 LEU 0.2 Increasing
99 A ALA 161 ASP 1.12 Increasing
100 A VAL 194 ARG -0.02 Decreasing
101 A ILE 159 ALA 0.4 Increasing
102 A GLU 198 ILE -1.6 Decreasing
103 A PRO 217 ASN -0.23 Decreasing
104 A ILE 159 PHE 0.97 Increasing
105 A TYR 216 ASP -1.58 Decreasing
106 A LEU 214 LYS 0.54 Increasing
107 A ALA 163 LEU 0.19 Increasing
108 A HIS 162 LYS -0.55 Decreasing
109 A LEU 193 HIS 0.63 Increasing
110 A HIS 162 LEU -0.73 Decreasing
111 A HIS 207 ASP -2.68 Decreasing
112 A GLY 158 HIS 0.08 Increasing
113 A PRO 217 SER 0.28 Increasing
114 A ALA 163 THR -0.05 Decreasing
115 A GLY 158 VAL 0.31 Increasing
116 A TYR 219 TRP -0.34 Decreasing
117 A TYR 216 ARG -1.89 Decreasing
118 A LEU 193 TYR 0.57 Increasing
119 A LEU 214 TRP 0.66 Increasing
120 A TYR 219 VAL -0.62 Decreasing
121 A HIS 201 ASP -0.64 Decreasing
122 A HIS 162 VAL -0.48 Decreasing
123 A GLU 198 TRP -0.28 Decreasing
124 A VAL 194 TYR -0.03 Decreasing
125 A LEU 214 PHE 0.63 Increasing
126 A TYR 216 TRP -1.56 Decreasing
127 A ILE 159 CYS 0.23 Increasing
128 A LEU 160 ARG -0.93 Decreasing
129 A VAL 194 ASN 0.0 Increasing
130 A HIS 197 THR -1.44 Decreasing
131 A TYR 216 PHE -1.57 Decreasing
132 A HIS 197 VAL -1.63 Decreasing
133 A ILE 159 ASP 0.66 Increasing
134 A GLU 198 GLY -1.5 Decreasing
135 A ILE 159 THR 0.0 Increasing
136 A LEU 160 MET -0.66 Decreasing
137 A TYR 219 GLU 0.42 Increasing
138 A HIS 207 MET -2.89 Decreasing
139 A PRO 217 ASP 0.63 Increasing
140 A HIS 207 ASN -3.22 Decreasing
141 A HIS 201 ALA -1.96 Decreasing
142 A LEU 160 HIS -0.25 Decreasing
143 A ILE 159 ASN -0.33 Decreasing
144 A HIS 201 LEU -1.83 Decreasing
145 A HIS 162 SER -0.33 Decreasing
146 A TYR 216 ALA -1.95 Decreasing
147 A ALA 161 ARG 0.27 Increasing
148 A HIS 162 PRO -0.02 Decreasing
149 A PRO 217 THR 0.16 Increasing
150 A VAL 194 ILE -0.72 Decreasing
151 A HIS 162 TRP 0.17 Increasing
152 A ASN 218 SER -0.57 Decreasing
153 A TYR 219 GLN -0.75 Decreasing
154 A ALA 161 GLU 0.67 Increasing
155 A GLY 158 GLU 0.54 Increasing
156 A TYR 216 GLN -2.37 Decreasing
157 A LEU 160 SER -1.04 Decreasing
158 A HIS 207 ARG -3.06 Decreasing
159 A HIS 207 CYS -3.37 Decreasing
160 A TYR 219 ALA -0.47 Decreasing
161 A LEU 193 GLN -0.35 Decreasing
162 A LEU 214 PRO 0.11 Increasing
163 A LEU 193 ARG 0.36 Increasing
164 A LEU 160 ALA -1.71 Decreasing
165 A LEU 193 SER 0.13 Increasing
166 A TYR 219 LEU -0.68 Decreasing
167 A HIS 197 ALA -2.21 Decreasing
168 A GLU 198 PRO -1.31 Decreasing
169 A LEU 193 ILE -0.01 Decreasing
170 A LEU 193 VAL 0.56 Increasing
171 A ASN 218 CYS 0.59 Increasing
172 A PRO 217 GLU 0.94 Increasing
173 A ILE 159 HIS 0.44 Increasing
174 A GLY 158 TRP 0.04 Increasing
175 A ASN 218 ASP 0.52 Increasing
176 A PRO 217 MET 0.23 Increasing
177 A HIS 207 LEU -3.16 Decreasing
178 A GLY 158 TYR 0.06 Increasing
179 A LEU 214 ASP 0.39 Increasing
180 A LEU 160 ASN 0.21 Increasing
181 A TYR 216 SER -1.92 Decreasing
182 A PRO 217 ARG 0.33 Increasing
183 A GLY 158 PHE 0.23 Increasing
184 A HIS 207 THR -3.49 Decreasing
185 A GLU 198 HIS 0.03 Increasing
186 A VAL 194 TRP -0.61 Decreasing
187 A GLY 158 ASP 0.24 Increasing
188 A ILE 159 GLY -0.02 Decreasing
189 A VAL 194 MET -0.74 Decreasing
190 A ALA 161 ASN 0.59 Increasing
191 A VAL 194 LEU -0.99 Decreasing
192 A HIS 207 LYS -3.54 Decreasing
193 A ASN 218 VAL 0.83 Increasing
194 A HIS 197 ARG -1.25 Decreasing
195 A LEU 193 MET 0.22 Increasing
196 A HIS 197 PRO -2.25 Decreasing
197 A ASN 218 LYS -0.81 Decreasing
198 A ILE 159 SER 0.1 Increasing
199 A HIS 201 GLN -2.29 Decreasing
200 A VAL 194 ASP 0.79 Increasing
201 A ALA 163 GLU 1.19 Increasing
202 A HIS 197 LYS -0.73 Decreasing
203 A ALA 163 MET 0.17 Increasing
204 A ASN 218 TYR 0.49 Increasing
205 A ILE 159 LYS 0.11 Increasing
206 A LEU 160 GLY -1.57 Decreasing
207 A TYR 216 MET -0.25 Decreasing
208 A HIS 162 THR 1.52 Increasing
209 A ASN 218 TRP 0.71 Increasing
210 A HIS 162 ILE -1.27 Decreasing
211 A TYR 216 CYS -1.64 Decreasing
212 A HIS 207 VAL -3.12 Decreasing
213 A HIS 162 ALA -0.37 Decreasing
214 A GLY 158 CYS 0.36 Increasing
215 A GLY 158 ASN -0.2 Decreasing
216 A ALA 161 TRP 0.66 Increasing
217 A HIS 207 PHE -0.58 Decreasing
218 A GLU 198 THR -1.61 Decreasing
219 A LEU 193 ALA -0.0 Increasing
220 A LEU 193 THR 0.07 Increasing
221 A VAL 194 GLU 1.09 Increasing
222 A PRO 217 VAL 0.48 Increasing
223 A LEU 214 ALA 0.13 Increasing
224 A ALA 161 LYS 0.07 Increasing
225 A GLY 158 ARG 0.28 Increasing
226 A HIS 197 TYR -0.91 Decreasing
227 A HIS 201 TRP -0.34 Decreasing
228 A TYR 216 LEU -0.31 Decreasing
229 A ALA 161 SER 0.77 Increasing
230 A LEU 214 ARG 0.59 Increasing
231 A LEU 160 TRP -1.0 Decreasing
232 A VAL 194 PHE -0.76 Decreasing
233 A HIS 197 GLY -2.63 Decreasing
234 A LEU 160 VAL -0.86 Decreasing
235 A ASN 218 GLN -0.26 Decreasing
236 A ASN 218 LEU 0.34 Increasing
237 A ALA 161 ILE -0.91 Decreasing
238 A ALA 163 LYS 0.52 Increasing
239 A PRO 217 LEU 0.01 Increasing
240 A HIS 207 ILE -3.65 Decreasing
241 A VAL 194 GLN -0.75 Decreasing
242 A HIS 197 PHE -2.42 Decreasing
243 A PRO 217 ILE 0.05 Increasing
244 A HIS 162 ASN -0.5 Decreasing
245 A VAL 194 CYS -0.16 Decreasing
246 A ASN 218 GLU 0.87 Increasing
247 A VAL 194 SER -0.04 Decreasing
248 A ALA 161 CYS -0.32 Decreasing
249 A ASN 218 ILE 0.28 Increasing
250 A PRO 217 GLY -0.12 Decreasing
251 A TYR 219 ASN -0.25 Decreasing
252 A PRO 217 ALA 0.04 Increasing
253 A ILE 159 MET 0.17 Increasing
254 A GLU 198 LYS -0.98 Decreasing
255 A TYR 216 VAL 0.09 Increasing
256 A HIS 201 CYS -1.49 Decreasing
257 A LEU 214 TYR 2.38 Increasing
258 A GLU 198 ASN -1.3 Decreasing
259 A HIS 201 ARG -1.16 Decreasing
260 A LEU 193 GLU 0.52 Increasing
261 A GLY 158 MET -0.21 Decreasing
262 A LEU 160 GLN -1.36 Decreasing
263 A ASN 218 PRO 1.73 Increasing
264 A HIS 162 ASP -0.38 Decreasing
265 A ASN 218 ALA 0.42 Increasing
266 A LEU 193 PHE 0.42 Increasing
267 A HIS 201 GLU -0.07 Decreasing
268 A VAL 194 GLY -0.22 Decreasing
269 A LEU 214 MET 0.21 Increasing
270 A HIS 162 GLY 2.56 Increasing
271 A HIS 201 GLY -2.14 Decreasing
272 A HIS 197 MET -1.75 Decreasing
273 A HIS 162 MET -0.82 Decreasing
274 A ALA 163 GLY 1.13 Increasing
275 A VAL 194 PRO -0.42 Decreasing
276 A ILE 159 ARG 0.43 Increasing
277 A TYR 219 ASP 0.06 Increasing
278 A ALA 163 ARG 0.25 Increasing
279 A HIS 197 GLN -2.78 Decreasing
280 A HIS 162 ARG -0.37 Decreasing
281 A HIS 201 PHE -2.13 Decreasing
282 A ALA 161 VAL -0.06 Decreasing
283 A ASN 218 HIS 0.83 Increasing
284 A LEU 193 LYS 0.23 Increasing
285 A ALA 161 PHE 0.19 Increasing
286 A LEU 193 GLY 0.01 Increasing
287 A VAL 194 LYS 0.14 Increasing
288 A TYR 219 PRO -0.7 Decreasing
289 A GLY 158 LEU -0.03 Decreasing
290 A HIS 162 GLN 1.26 Increasing
291 A ALA 163 CYS 1.11 Increasing
292 A LEU 214 SER 0.07 Increasing
293 A LEU 160 TYR -1.17 Decreasing
294 A LEU 193 TRP 0.36 Increasing
295 A HIS 197 GLU -0.37 Decreasing
296 A HIS 201 SER -1.67 Decreasing
297 A ALA 161 LEU -0.72 Decreasing
298 A GLY 158 PRO 0.14 Increasing
299 A LEU 160 CYS -1.89 Decreasing
300 A ASN 218 PHE 0.54 Increasing
301 A HIS 207 ALA -3.45 Decreasing
302 A PRO 217 GLN -0.3 Decreasing
303 A GLU 198 ARG -0.33 Decreasing
304 A LEU 160 LYS -0.73 Decreasing
305 A ALA 163 SER 0.35 Increasing
306 A ALA 163 ILE 0.1 Increasing
307 A ILE 159 TRP 1.22 Increasing
308 A PRO 217 LYS 0.05 Increasing
309 A HIS 201 VAL -1.48 Decreasing
310 A VAL 194 HIS 1.12 Increasing
311 A GLY 158 ILE -0.13 Decreasing
312 A GLU 198 TYR -0.45 Decreasing
313 A ALA 161 MET -0.22 Decreasing
314 A HIS 207 PRO -3.44 Decreasing
315 A TYR 219 HIS -0.16 Decreasing
316 A LEU 214 HIS 0.8 Increasing
317 A GLY 158 LYS -0.05 Decreasing
318 A TYR 219 SER -0.51 Decreasing
319 A ALA 163 HIS 2.49 Increasing
320 A ILE 159 GLN -0.1 Decreasing
321 A LEU 160 GLU -0.43 Decreasing
322 A GLU 198 CYS -1.48 Decreasing
323 A ALA 163 VAL 0.72 Increasing
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