Infliximab / 5vh4

A4DAB142_5vh4_H_L | Source PDB: 5vh4 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6889
Max Score
1.8259
Min Score
-3.4621
Total Score
-297.6
Score CDR
-0.1659
Score non-CDR
-0.7527

Calculation Parameters

Chain Sequence(s) EVKLEESGGGLVQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDILLTQSPAILSVSPGERVSFSCRASQFVGSSIHWYQQRTNGSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.4621
Maximum Score 1.8259
Average Score -0.6889
Total Score -297.5996

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

Index Residue Chain A4D Score Classification
1 E H -2.1657 Soluble
2 V H -1.3250 Soluble
3 K H -1.9083 Soluble
4 L H 0.0000 Buried
5 E H -1.6296 Soluble
6 E H -0.9933 Soluble
7 S H -1.0294 Soluble
8 G H -0.9900 Soluble
9 G H -0.8535 Soluble
11 G H -0.4553 Soluble
12 L H 0.1478 Aggregation-prone
13 V H 0.1091 Aggregation-prone
15 P H -1.4069 Soluble
16 G H -1.7590 Soluble
17 G H -1.1298 Soluble
18 S H -1.2216 Soluble
19 M H -1.1213 Soluble
20 K H -1.9414 Soluble
21 L H 0.0000 Buried
22 S H -0.6404 Soluble
23 C H 0.0000 Buried
24 V H -0.1477 Soluble
25 A H 0.0000 Buried
26 S H -0.8035 Soluble
27 G H -0.8178 Soluble
28 F H 0.3890 Aggregation-prone
29 I H 1.5509 Aggregation-prone
30 F H 0.0000 Buried
35 S H -0.7802 Soluble
36 N H -0.8822 Soluble
37 H H -0.1121 Soluble
38 W H -0.1223 Soluble
39 M H 0.0000 Buried
40 N H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.8707 Soluble
45 S H -1.5853 Soluble
46 P H -1.6741 Soluble
47 E H -3.0795 Soluble
48 K H -3.0475 Soluble
49 G H -1.6964 Soluble
50 L H 0.0000 Buried
51 E H -0.7637 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 E H 0.0000 Buried
56 I H 0.0000 Buried
57 R H -0.7545 Soluble
58 S H 0.0000 Buried
59 K H -2.2462 Soluble
60 S H -0.9701 Soluble
61 I H 0.0047 Aggregation-prone
62 N H -1.3113 Soluble
63 S H -1.2038 Soluble
64 A H -0.6181 Soluble
65 T H -0.4715 Soluble
66 H H -0.9109 Soluble
67 Y H -1.1803 Soluble
68 A H -1.4404 Soluble
69 E H -2.5607 Soluble
70 S H -1.5752 Soluble
71 V H 0.0000 Buried
72 K H -2.6151 Soluble
74 G H -1.7706 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -0.7575 Soluble
78 I H 0.0000 Buried
79 S H -0.4058 Soluble
80 R H -1.0318 Soluble
81 D H -1.5901 Soluble
82 D H -1.6471 Soluble
83 S H -1.5333 Soluble
84 K H -2.0327 Soluble
85 S H -0.7560 Soluble
86 A H 0.0000 Buried
87 V H 0.0000 Buried
88 Y H -0.3247 Soluble
89 L H 0.0000 Buried
90 Q H -1.0870 Soluble
91 M H 0.0000 Buried
92 T H -1.6560 Soluble
93 D H -2.4506 Soluble
94 L H 0.0000 Buried
95 R H -2.3717 Soluble
96 T H -1.6132 Soluble
97 E H -2.6964 Soluble
98 D H 0.0000 Buried
99 T H -0.7938 Soluble
100 G H -0.6750 Soluble
101 V H 0.1543 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 S H 0.0000 Buried
106 R H 0.0000 Buried
107 N H 0.0000 Buried
108 Y H 1.3775 Aggregation-prone
109 Y H 1.1039 Aggregation-prone
110 G H 0.5791 Aggregation-prone
113 S H 0.0000 Buried
114 T H 0.0000 Buried
115 Y H 0.0000 Buried
116 D H -0.0252 Soluble
117 Y H 0.2359 Aggregation-prone
118 W H -0.5513 Soluble
119 G H 0.0000 Buried
120 Q H -1.8665 Soluble
121 G H -1.0231 Soluble
122 T H -0.6203 Soluble
123 T H -0.2706 Soluble
124 L H 0.0000 Buried
125 T H -0.3494 Soluble
126 V H 0.0000 Buried
127 S H -0.4874 Soluble
129 A H -0.1133 Soluble
130 S H -0.3425 Soluble
131 T H -0.5836 Soluble
132 K H -1.2263 Soluble
133 G H -1.3964 Soluble
134 P H -0.5653 Soluble
135 S H -0.2565 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1758 Soluble
139 L H 0.0000 Buried
140 A H -1.0807 Soluble
141 P H 0.0000 Buried
142 S H -1.1281 Soluble
143 S H -0.9049 Soluble
144 K H -1.3071 Soluble
145 S H 0.0000 Buried
146 T H -0.8140 Soluble
147 S H -0.7557 Soluble
148 G H -0.8402 Soluble
149 G H -0.8788 Soluble
150 T H -0.6072 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.4088 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.5954 Soluble
164 P H -0.7492 Soluble
165 V H -0.6365 Soluble
166 T H -0.5434 Soluble
167 V H -0.3456 Soluble
168 S H -0.3643 Soluble
169 W H 0.0000 Buried
170 N H -0.7069 Soluble
171 S H -0.6275 Soluble
172 G H -0.4897 Soluble
173 A H -0.2263 Soluble
174 L H 0.0226 Aggregation-prone
175 T H -0.1597 Soluble
176 S H -0.1718 Soluble
177 G H -0.1838 Soluble
178 V H 0.1741 Aggregation-prone
179 H H -0.1898 Soluble
180 T H 0.0554 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.2031 Soluble
183 A H 0.2293 Aggregation-prone
184 V H 0.5228 Aggregation-prone
185 L H 0.8659 Aggregation-prone
186 Q H 0.1603 Aggregation-prone
187 S H -0.1204 Soluble
188 S H -0.2463 Soluble
189 G H -0.0015 Soluble
190 L H 0.0698 Aggregation-prone
191 Y H 0.3539 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1334 Soluble
199 V H 0.0000 Buried
200 P H -0.6322 Soluble
201 S H -0.5914 Soluble
202 S H -0.5685 Soluble
203 S H -0.6367 Soluble
204 L H -0.7966 Soluble
205 G H -1.1319 Soluble
206 T H -0.7667 Soluble
207 Q H -1.3427 Soluble
208 T H -1.1741 Soluble
209 Y H 0.0000 Buried
210 I H -1.2806 Soluble
211 C H 0.0000 Buried
212 N H -1.4268 Soluble
213 V H 0.0000 Buried
214 N H -1.8438 Soluble
215 H H 0.0000 Buried
216 K H -2.7537 Soluble
217 P H -1.6412 Soluble
218 S H -1.8403 Soluble
219 N H -2.5496 Soluble
220 T H -2.2189 Soluble
221 K H -2.6516 Soluble
222 V H -1.6427 Soluble
223 D H -2.4169 Soluble
224 K H -2.2674 Soluble
225 K H -2.5677 Soluble
226 V H 0.0000 Buried
227 E H -2.8214 Soluble
228 P H -1.7335 Soluble
229 K H -2.1866 Soluble
230 S H -1.2554 Soluble
1 D L -1.3809 Soluble
2 I L -0.0103 Soluble
3 L L 0.6715 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.5481 Soluble
6 Q L 0.0000 Buried
7 S L -0.2929 Soluble
8 P L 0.2713 Aggregation-prone
9 A L 0.6690 Aggregation-prone
10 I L 1.8259 Aggregation-prone
11 L L 1.0485 Aggregation-prone
12 S L 0.2532 Aggregation-prone
13 V L -1.1631 Soluble
14 S L -1.6674 Soluble
15 P L -2.0987 Soluble
16 G L -2.3793 Soluble
17 E L -3.2638 Soluble
18 R L -3.3285 Soluble
19 V L 0.0000 Buried
20 S L -0.7040 Soluble
21 F L 0.0000 Buried
22 S L -1.0105 Soluble
23 C L 0.0000 Buried
24 R L -2.1724 Soluble
25 A L 0.0000 Buried
26 S L -0.6341 Soluble
27 Q L -0.7451 Soluble
28 F L 0.7209 Aggregation-prone
29 V L 0.0000 Buried
36 G L -0.0743 Soluble
37 S L -0.2378 Soluble
38 S L -0.0318 Soluble
39 I 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 0.0000 Buried
44 Q L 0.0000 Buried
45 R L -1.9345 Soluble
46 T L -1.7062 Soluble
47 N L -1.9688 Soluble
48 G L -1.5730 Soluble
49 S L -1.1595 Soluble
50 P L 0.0000 Buried
51 R L -1.1885 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 K L -1.0631 Soluble
56 Y L -0.3639 Soluble
57 A L 0.0000 Buried
65 S L -1.2241 Soluble
66 E L -2.0592 Soluble
67 S L -1.2464 Soluble
68 M L -0.8448 Soluble
69 S L -0.5571 Soluble
70 G L -0.4735 Soluble
71 I L -0.3115 Soluble
72 P L -0.3709 Soluble
74 S L -0.7029 Soluble
75 R L -1.2419 Soluble
76 F L 0.0000 Buried
77 S L -0.9895 Soluble
78 G L -0.7503 Soluble
79 S L -0.8701 Soluble
80 G L -1.1062 Soluble
83 S L -0.7330 Soluble
84 G L -0.4616 Soluble
85 T L -1.2373 Soluble
86 D L -2.5207 Soluble
87 F L 0.0000 Buried
88 T L -0.8906 Soluble
89 L L 0.0000 Buried
90 S L -0.9853 Soluble
91 I L 0.0000 Buried
92 N L -2.8966 Soluble
93 T L -2.5911 Soluble
94 V L 0.0000 Buried
95 E L -2.6796 Soluble
96 S L -1.9710 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 D L -0.7143 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 Q L 0.0000 Buried
107 S L -0.1399 Soluble
108 H L -0.3345 Soluble
109 S L -0.1535 Soluble
114 W L 0.1690 Aggregation-prone
115 P L -0.3781 Soluble
116 F L 0.0000 Buried
117 T L 0.0691 Aggregation-prone
118 F L 0.1683 Aggregation-prone
119 G L 0.0000 Buried
120 S L -0.7417 Soluble
121 G L -0.1466 Soluble
122 T L 0.0000 Buried
123 N L 0.1343 Aggregation-prone
124 L L 0.0000 Buried
125 E L 0.0000 Buried
126 V L 0.0000 Buried
127 K L -1.3143 Soluble
128 R L -0.9062 Soluble
129 T L 0.0482 Aggregation-prone
130 V L 0.6147 Aggregation-prone
131 A L 0.1297 Aggregation-prone
132 A L -0.0449 Soluble
133 P L 0.0000 Buried
134 S L -0.1770 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.6339 Soluble
140 P L 0.0000 Buried
141 S L -1.7537 Soluble
142 D L -3.0323 Soluble
143 E L -2.9410 Soluble
144 Q L 0.0000 Buried
145 L L -2.1670 Soluble
146 K L -2.7919 Soluble
147 S L -1.7420 Soluble
148 G L -1.3845 Soluble
149 T L -1.0254 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.7029 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.3259 Soluble
162 R L -2.2820 Soluble
163 E L -2.9199 Soluble
164 A L -2.1550 Soluble
165 K L -2.3757 Soluble
166 V L -1.1541 Soluble
167 Q L -0.8591 Soluble
168 W L 0.0000 Buried
169 K L -0.7689 Soluble
170 V L 0.0000 Buried
171 D L -2.1016 Soluble
172 N L -1.6474 Soluble
173 A L -0.4023 Soluble
174 L L 0.4838 Aggregation-prone
175 Q L -0.4476 Soluble
176 S L -0.7540 Soluble
177 G L -1.3303 Soluble
178 N L -1.7054 Soluble
179 S L -1.4958 Soluble
180 Q L -1.4403 Soluble
181 E L -1.4354 Soluble
182 S L -0.5586 Soluble
183 V L -0.0516 Soluble
184 T L -0.6852 Soluble
185 E L -1.9013 Soluble
186 Q L 0.0000 Buried
187 D L -1.8323 Soluble
188 S L -1.9302 Soluble
189 K L -2.4457 Soluble
190 D L -1.9999 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.7280 Soluble
199 L L 0.0000 Buried
200 T L -0.6972 Soluble
201 L L -0.8464 Soluble
202 S L -1.0203 Soluble
203 K L -1.9519 Soluble
204 A L -1.7526 Soluble
205 D L -2.5391 Soluble
206 Y L 0.0000 Buried
207 E L -3.0875 Soluble
208 K L -3.4621 Soluble
209 H L -2.9228 Soluble
210 K L -3.1844 Soluble
211 V L -1.4157 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9765 Soluble
216 V L 0.0000 Buried
217 T L -1.2075 Soluble
218 H L 0.0000 Buried
219 Q L -1.6629 Soluble
220 G L -0.3957 Soluble
221 L L -0.2146 Soluble
222 S L -0.4551 Soluble
223 S L -0.4195 Soluble
224 P L -0.5621 Soluble
225 V L 0.0022 Aggregation-prone
226 T L -0.5064 Soluble
227 K L -0.6905 Soluble
228 S L -0.5690 Soluble
229 F L 0.0000 Buried
230 N L -1.8723 Soluble
231 R L -2.4402 Soluble
232 G L -2.1117 Soluble
233 E L -2.6293 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 -0.6909 3.595 CSV PDB
4.5 -0.7395 3.5831 CSV PDB
5.0 -0.7978 3.5678 CSV PDB
5.5 -0.8541 3.551 CSV PDB
6.0 -0.8953 3.5337 CSV PDB
6.5 -0.9105 3.5161 CSV PDB
7.0 -0.8986 3.4985 CSV PDB
7.5 -0.8686 3.4811 CSV PDB
8.0 -0.8287 3.4639 CSV PDB
8.5 -0.782 3.4478 CSV PDB
9.0 -0.7291 3.4342 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH