Faricimab / 4iml

A4DAB115_4iml_H_L | Source PDB: 4iml | Chains: H, L | Done
97.47
Yes
10 Å
Yes
Avg A4D Score
-0.7462
Max Score
1.796
Min Score
-3.7239
Total Score
-331.3
Score CDR
-0.397
Score non-CDR
-0.7986

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARSPNPYYYDSSGYYYPGAFDIWGQGTMVTVSSASVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGQPGLTQPPSVSVAPGQTARITCGGNNIGSKSVHWYQQKPGQAPVLVVYDDSDRPSGIPERFSGSNSGNTATLTISRVEAGDEADYYCQVWDSSSDHYVFGTGTKVTVLSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP input.pdb
Selected Chain(s) H (Heavy), L (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -3.7239
Maximum Score 1.796
Average Score -0.7462
Total Score -331.3041

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
1 Q H -1.5062 Soluble
2 V H -0.9862 Soluble
3 Q H -1.3492 Soluble
4 L H 0.0000 Buried
5 V H 0.4502 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.5872 Soluble
8 G H -0.6352 Soluble
9 A H -0.2037 Soluble
11 E H -0.6387 Soluble
12 V H 0.6759 Aggregation-prone
13 K H -1.0344 Soluble
14 K H -2.2455 Soluble
15 P H -2.3796 Soluble
16 G H -1.8744 Soluble
17 A H -1.5535 Soluble
18 S H -1.7882 Soluble
19 V H 0.0000 Buried
20 K H -2.1537 Soluble
21 V H 0.0000 Buried
22 S H -0.5867 Soluble
23 C H 0.0000 Buried
24 K H -0.6120 Soluble
25 A H 0.0000 Buried
26 S H -0.6323 Soluble
27 G H -0.9913 Soluble
28 Y H -0.5351 Soluble
29 T H -0.2210 Soluble
30 F H 0.0000 Buried
35 T H -0.3884 Soluble
36 G H 0.0000 Buried
37 Y H 0.0000 Buried
38 Y H -0.0311 Soluble
39 M H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.5024 Soluble
44 Q H -0.7566 Soluble
45 A H -1.0683 Soluble
46 P H -1.0124 Soluble
47 G H -1.2256 Soluble
48 Q H -1.7171 Soluble
49 G H -1.1160 Soluble
50 L H 0.0000 Buried
51 E H -0.7781 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 W H 0.0050 Aggregation-prone
56 I H 0.0000 Buried
57 N H -0.6984 Soluble
58 P H 0.0000 Buried
59 N H -1.3459 Soluble
62 S H -0.9497 Soluble
63 G H -0.9457 Soluble
64 G H -0.7023 Soluble
65 T H -0.3249 Soluble
66 N H -0.7305 Soluble
67 Y H -1.1096 Soluble
68 A H 0.0000 Buried
69 Q H -2.5194 Soluble
70 K H -2.7473 Soluble
71 F H 0.0000 Buried
72 Q H -2.4883 Soluble
74 G H -1.9204 Soluble
75 R H -1.8187 Soluble
76 V H 0.0000 Buried
77 T H -0.8252 Soluble
78 M H 0.0000 Buried
79 T H -0.6563 Soluble
80 R H -1.0500 Soluble
81 D H -0.9362 Soluble
82 T H -0.3369 Soluble
83 S H 0.3672 Aggregation-prone
84 I H 1.3132 Aggregation-prone
85 S H 0.1395 Aggregation-prone
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.7242 Soluble
89 M H 0.0000 Buried
90 E H -1.5762 Soluble
91 L H 0.0000 Buried
92 S H -1.8853 Soluble
93 R H -2.7074 Soluble
94 L H 0.0000 Buried
95 R H -3.3080 Soluble
96 S H -2.5147 Soluble
97 D H -2.6154 Soluble
98 D H 0.0000 Buried
99 T H -0.8338 Soluble
100 A H 0.0000 Buried
101 V H 0.1668 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 S H 0.0000 Buried
108 P H 0.0000 Buried
109 N H 0.0000 Buried
110 P H 1.1236 Aggregation-prone
111 Y H 1.7960 Aggregation-prone
111A Y H 1.6403 Aggregation-prone
111B Y H 1.3853 Aggregation-prone
111C D H -0.4425 Soluble
111D S H -0.5906 Soluble
112E S H -0.4202 Soluble
112D G H -0.2078 Soluble
112C Y H 0.5593 Aggregation-prone
112B Y H 0.8430 Aggregation-prone
112A Y H 0.0000 Buried
112 P H 0.5938 Aggregation-prone
113 G H 0.0000 Buried
114 A H 0.0000 Buried
115 F H 0.0000 Buried
116 D H 0.3531 Aggregation-prone
117 I H 0.2615 Aggregation-prone
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.2347 Soluble
121 G H -0.5672 Soluble
122 T H 0.0000 Buried
123 M H 0.2119 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4529 Soluble
126 V H 0.0000 Buried
127 S H -1.0688 Soluble
128 S H -1.0610 Soluble
129 A H -0.6819 Soluble
130 S H 0.3481 Aggregation-prone
131 V H 1.3054 Aggregation-prone
132 A H 0.3205 Aggregation-prone
133 A H 0.0333 Aggregation-prone
134 P H -0.0471 Soluble
135 S H -0.2110 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 I H 0.0000 Buried
139 F H 0.0000 Buried
140 P H -0.5466 Soluble
141 P H -0.5496 Soluble
142 S H -1.3391 Soluble
143 D H -2.6054 Soluble
144 E H -2.3300 Soluble
145 Q H 0.0000 Buried
146 L H -1.9655 Soluble
147 K H -2.6820 Soluble
148 S H -1.7165 Soluble
149 G H -1.4637 Soluble
150 T H -0.9518 Soluble
151 A H 0.0000 Buried
152 S H 0.0000 Buried
153 V H 0.0000 Buried
154 V H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 L H 0.0000 Buried
158 N H 0.0000 Buried
159 N H -0.9221 Soluble
160 F H 0.0000 Buried
161 Y H -0.5547 Soluble
162 P H -1.0724 Soluble
163 R H -2.6444 Soluble
164 E H -3.0481 Soluble
165 A H -2.2451 Soluble
166 K H -2.3687 Soluble
167 V H -1.0197 Soluble
168 Q H -0.5727 Soluble
169 W H 0.0000 Buried
170 K H -0.8681 Soluble
171 V H 0.0000 Buried
172 D H -2.5254 Soluble
173 N H -1.8463 Soluble
174 A H -0.6582 Soluble
175 L H 0.5033 Aggregation-prone
176 Q H -0.2315 Soluble
177 S H -0.6135 Soluble
178 G H -1.2795 Soluble
179 N H -1.6172 Soluble
180 S H -1.7303 Soluble
181 Q H -2.1837 Soluble
182 E H -2.2709 Soluble
183 S H -0.9928 Soluble
184 V H -0.7095 Soluble
185 T H 0.0000 Buried
186 E H -2.6155 Soluble
187 Q H -2.8549 Soluble
188 D H -3.6126 Soluble
189 S H -2.6492 Soluble
190 K H -3.1494 Soluble
191 D H -3.2602 Soluble
192 S H -2.7398 Soluble
193 T H 0.0000 Buried
194 Y H -1.6767 Soluble
195 S H 0.0000 Buried
196 L H 0.0000 Buried
197 S H 0.0000 Buried
198 S H 0.0000 Buried
199 T H -0.9940 Soluble
200 L H 0.0000 Buried
201 T H -0.5255 Soluble
202 L H -0.5149 Soluble
203 S H -0.9987 Soluble
204 K H -2.1184 Soluble
205 A H -1.9009 Soluble
206 D H -2.4605 Soluble
207 Y H -2.3259 Soluble
208 E H -3.7239 Soluble
209 K H -3.5003 Soluble
210 H H -2.9530 Soluble
211 K H -3.4113 Soluble
212 V H -1.9903 Soluble
213 Y H 0.0000 Buried
214 A H -0.7022 Soluble
215 C H 0.0000 Buried
216 E H -0.6315 Soluble
217 V H 0.0000 Buried
218 T H -1.1952 Soluble
219 H H 0.0000 Buried
220 Q H -1.7655 Soluble
221 G H -0.5275 Soluble
222 L H -0.2408 Soluble
223 S H -0.4802 Soluble
224 S H -0.4039 Soluble
225 P H -0.4407 Soluble
226 V H 0.1335 Aggregation-prone
227 T H -0.3765 Soluble
228 K H -0.5556 Soluble
229 S H -0.3251 Soluble
230 F H -0.2453 Soluble
231 N H -1.4084 Soluble
232 R H -2.3491 Soluble
233 G H -1.2787 Soluble
1 Q L -1.8603 Soluble
2 P L -1.1413 Soluble
3 G L -0.7934 Soluble
4 L L 0.0000 Buried
5 T L -0.4639 Soluble
6 Q L 0.0000 Buried
7 P L -0.4934 Soluble
8 P L -0.8119 Soluble
9 S L -0.9329 Soluble
11 V L -0.6083 Soluble
12 S L -0.3167 Soluble
13 V L -0.5174 Soluble
14 A L -0.7808 Soluble
15 P L -1.5865 Soluble
16 G L -1.9932 Soluble
17 Q L -2.2373 Soluble
18 T L -1.8732 Soluble
19 A L 0.0000 Buried
20 R L -1.9191 Soluble
21 I L 0.0000 Buried
22 T L -0.6245 Soluble
23 C L 0.0000 Buried
24 G L -1.3526 Soluble
25 G L 0.0000 Buried
26 N L -2.9126 Soluble
27 N L -2.8051 Soluble
28 I L 0.0000 Buried
29 G L -1.9480 Soluble
36 S L -1.5349 Soluble
37 K L -1.6723 Soluble
38 S L -0.9678 Soluble
39 V L 0.0000 Buried
40 H L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -0.4868 Soluble
44 Q L -1.1417 Soluble
45 K L -1.8613 Soluble
46 P L -1.4380 Soluble
47 G L -1.5512 Soluble
48 Q L -1.9446 Soluble
49 A L -0.9598 Soluble
50 P L 0.0000 Buried
51 V L 0.7744 Aggregation-prone
52 L L 0.0000 Buried
53 V L 0.0000 Buried
54 V L 0.0000 Buried
55 Y L -1.0466 Soluble
56 D L -2.0967 Soluble
57 D L -2.7700 Soluble
65 S L -2.3517 Soluble
66 D L -2.4973 Soluble
67 R L -1.6611 Soluble
68 P L -0.3458 Soluble
69 S L -0.4984 Soluble
70 G L -0.7096 Soluble
71 I L -0.4876 Soluble
72 P L -1.1870 Soluble
74 E L -2.2983 Soluble
75 R L -1.7048 Soluble
76 F L 0.0000 Buried
77 S L -1.7198 Soluble
78 G L 0.0000 Buried
79 S L -1.2268 Soluble
80 N L -1.6764 Soluble
83 S L -1.4006 Soluble
84 G L -2.1041 Soluble
85 N L -2.8145 Soluble
86 T L -1.5169 Soluble
87 A L 0.0000 Buried
88 T L -0.9651 Soluble
89 L L 0.0000 Buried
90 T L -1.2726 Soluble
91 I L 0.0000 Buried
92 S L -2.1689 Soluble
93 R L -2.9140 Soluble
94 V L 0.0000 Buried
95 E L -2.6732 Soluble
96 A L -1.1647 Soluble
97 G L -1.2036 Soluble
98 D L 0.0000 Buried
99 E L -1.6729 Soluble
100 A L 0.0000 Buried
101 D L -1.4514 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 V L -0.0319 Soluble
107 W L -0.4831 Soluble
108 D L -1.2262 Soluble
109 S L -0.9680 Soluble
110 S L -0.8661 Soluble
113 S L -0.9500 Soluble
114 D L -1.1281 Soluble
115 H L -1.0269 Soluble
116 Y L 0.0000 Buried
117 V L 0.0373 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 T L -0.6090 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -2.1433 Soluble
124 V L 0.0000 Buried
125 T L -0.7538 Soluble
126 V L -0.4732 Soluble
127 L L -0.0461 Soluble
128 S L -0.1715 Soluble
129 S L -0.2365 Soluble
130 A L -0.4116 Soluble
131 S L -0.6476 Soluble
132 T L -0.9015 Soluble
133 K L -1.5996 Soluble
134 G L -1.7704 Soluble
135 P L -0.9700 Soluble
136 S L -0.7073 Soluble
137 V L 0.0000 Buried
138 F L -0.4808 Soluble
139 P L -0.6768 Soluble
140 L L 0.0000 Buried
141 A L -0.5165 Soluble
142 P L 0.0000 Buried
143 S L -0.5405 Soluble
144 S L -0.3748 Soluble
145 K L 0.0000 Buried
146 S L -0.5279 Soluble
147 T L -0.6110 Soluble
148 S L -0.6672 Soluble
149 G L -0.9191 Soluble
150 G L -0.8925 Soluble
151 T L -0.5883 Soluble
152 A L 0.0000 Buried
153 A L 0.0000 Buried
154 L L 0.0000 Buried
155 G L 0.0000 Buried
156 C L 0.0000 Buried
157 L L 0.0000 Buried
158 V L 0.0000 Buried
159 K L 0.0000 Buried
160 D L -1.0498 Soluble
161 Y L 0.0000 Buried
162 F L 0.0000 Buried
163 P L -1.1605 Soluble
164 E L -1.1764 Soluble
165 P L -1.1314 Soluble
166 V L -0.9499 Soluble
167 T L -0.7414 Soluble
168 V L -0.5126 Soluble
169 S L -0.4401 Soluble
170 W L 0.0000 Buried
171 N L -0.6216 Soluble
172 S L -0.6295 Soluble
173 G L -0.5498 Soluble
174 A L -0.1778 Soluble
175 L L -0.0221 Soluble
176 T L -0.1031 Soluble
177 S L -0.0792 Soluble
178 G L 0.0498 Aggregation-prone
179 V L 0.2520 Aggregation-prone
180 H L 0.0000 Buried
181 T L 0.0348 Aggregation-prone
182 F L 0.0000 Buried
183 P L -0.3021 Soluble
184 A L -0.0291 Soluble
185 V L 0.2015 Aggregation-prone
186 L L 0.8091 Aggregation-prone
187 Q L -0.0689 Soluble
188 S L -0.2388 Soluble
189 S L -0.3644 Soluble
190 G L -0.0739 Soluble
191 L L 0.0000 Buried
192 Y L -0.0769 Soluble
193 S L 0.0000 Buried
194 L L 0.0000 Buried
195 S L 0.0000 Buried
196 S L 0.0000 Buried
197 V L 0.0000 Buried
198 V L 0.0000 Buried
199 T L 0.0315 Aggregation-prone
200 V L -0.0616 Soluble
201 P L -0.5193 Soluble
202 S L -0.6533 Soluble
203 S L -0.6501 Soluble
204 S L -0.5805 Soluble
205 L L -0.7947 Soluble
206 G L -1.0602 Soluble
207 T L -0.9138 Soluble
208 Q L -1.2379 Soluble
209 T L -0.9129 Soluble
210 Y L 0.0000 Buried
211 I L -0.7436 Soluble
212 C L 0.0000 Buried
213 N L -1.4255 Soluble
214 V L 0.0000 Buried
215 N L -2.1668 Soluble
216 H L 0.0000 Buried
217 K L -2.8915 Soluble
218 P L -1.8141 Soluble
219 S L -1.9542 Soluble
220 N L -2.6239 Soluble
221 T L -2.1897 Soluble
222 K L -2.7543 Soluble
223 V L -1.6155 Soluble
224 D L -2.4444 Soluble
225 K L -1.7202 Soluble
226 K L -1.5927 Soluble
227 V L 0.0000 Buried
228 E L -1.7849 Soluble
229 P L -0.9774 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
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A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
Display Options

pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.6843 2.401 CSV PDB
4.5 -0.7357 2.3685 CSV PDB
5.0 -0.7947 2.3331 CSV PDB
5.5 -0.8506 2.2967 CSV PDB
6.0 -0.8934 2.2599 CSV PDB
6.5 -0.9157 2.2231 CSV PDB
7.0 -0.9174 2.1865 CSV PDB
7.5 -0.9052 2.1506 CSV PDB
8.0 -0.8851 2.1166 CSV PDB
8.5 -0.858 2.0869 CSV PDB
9.0 -0.8222 2.0622 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH