Infliximab / 5vh3

A4DAB142_5vh3_A_B | Source PDB: 5vh3 | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6755
Max Score
1.5832
Min Score
-3.56
Total Score
-291.8
Score CDR
-0.1556
Score non-CDR
-0.7389

Calculation Parameters

Chain Sequence(s) EVKLEESGGGLVQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDILLTQSPAILSVSPGERVSFSCRASQFVGSSIHWYQQRTNGSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) A (Heavy), B (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 -3.56
Maximum Score 1.5832
Average Score -0.6755
Total Score -291.7962

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

Index Residue Chain A4D Score Classification
1 E A -2.2086 Soluble
2 V A -1.4111 Soluble
3 K A -2.1188 Soluble
4 L A 0.0000 Buried
5 E A -1.8091 Soluble
6 E A -1.0387 Soluble
7 S A -1.0200 Soluble
8 G A -0.9956 Soluble
9 G A -0.6072 Soluble
11 G A -0.0077 Soluble
12 L A 0.3467 Aggregation-prone
13 V A -0.3979 Soluble
14 Q A -1.6715 Soluble
15 P A -1.9778 Soluble
16 G A -1.9825 Soluble
17 G A -1.3911 Soluble
18 S A -1.3844 Soluble
19 M A -1.0440 Soluble
20 K A -1.8267 Soluble
21 L A 0.0000 Buried
22 S A -0.5312 Soluble
23 C A 0.0000 Buried
24 V A 0.3009 Aggregation-prone
25 A A 0.0000 Buried
26 S A -0.7718 Soluble
27 G A -0.8670 Soluble
28 F A 0.3637 Aggregation-prone
29 I A 1.5832 Aggregation-prone
30 F A 0.0000 Buried
35 S A -0.7062 Soluble
36 N A -0.8196 Soluble
37 H A 0.0000 Buried
38 W A -0.0562 Soluble
39 M A 0.0000 Buried
40 N A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.7274 Soluble
45 S A 0.0000 Buried
46 P A -1.5598 Soluble
47 E A -2.8912 Soluble
48 K A -2.6949 Soluble
49 G A -1.5206 Soluble
50 L A 0.0000 Buried
51 E A -0.6690 Soluble
52 W A 0.0000 Buried
53 V A 0.0000 Buried
54 A A 0.0000 Buried
55 E A 0.0000 Buried
56 I A 0.0000 Buried
57 R A -0.7431 Soluble
58 S A 0.0000 Buried
59 K A -2.2106 Soluble
60 S A -1.0792 Soluble
61 I A -0.2045 Soluble
62 N A -1.4192 Soluble
63 S A -1.1899 Soluble
64 A A -0.6162 Soluble
65 T A -0.3905 Soluble
66 H A -0.7500 Soluble
67 Y A -1.0576 Soluble
68 A A -1.4055 Soluble
69 E A -2.5196 Soluble
70 S A -1.7436 Soluble
71 V A 0.0000 Buried
72 K A -2.5767 Soluble
74 G A -1.7528 Soluble
75 R A 0.0000 Buried
76 F A 0.0000 Buried
77 T A -0.7585 Soluble
78 I A 0.0000 Buried
79 S A -0.3907 Soluble
80 R A -0.8916 Soluble
81 D A -1.2268 Soluble
82 D A -1.3376 Soluble
83 S A -1.4138 Soluble
84 K A -1.8409 Soluble
85 S A -0.5103 Soluble
86 A A 0.0000 Buried
87 V A 0.0000 Buried
88 Y A -0.2519 Soluble
89 L A 0.0000 Buried
90 Q A -1.1272 Soluble
91 M A 0.0000 Buried
92 T A -1.6250 Soluble
93 D A -2.5533 Soluble
94 L A 0.0000 Buried
95 R A -2.6152 Soluble
96 T A -1.8310 Soluble
97 E A -2.6809 Soluble
98 D A 0.0000 Buried
99 T A -0.7686 Soluble
100 G A 0.0000 Buried
101 V A 0.1659 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 S A 0.0000 Buried
106 R A 0.0000 Buried
107 N A 0.0000 Buried
108 Y A 1.2150 Aggregation-prone
109 Y A 1.2249 Aggregation-prone
110 G A 0.6060 Aggregation-prone
113 S A 0.0000 Buried
114 T A 0.0000 Buried
115 Y A 0.0000 Buried
116 D A -0.0346 Soluble
117 Y A 0.1057 Aggregation-prone
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -2.0054 Soluble
121 G A -1.1098 Soluble
122 T A -0.6726 Soluble
123 T A -0.1595 Soluble
124 L A 0.0000 Buried
125 T A -0.4236 Soluble
126 V A 0.0000 Buried
127 S A -0.9430 Soluble
128 S A -0.6911 Soluble
129 A A -0.4714 Soluble
130 S A -0.6599 Soluble
131 T A -0.6520 Soluble
132 K A -1.2088 Soluble
133 G A -1.4241 Soluble
134 P A 0.0000 Buried
135 S A -0.2505 Soluble
136 V A -0.2913 Soluble
137 F A 0.0000 Buried
138 P A -1.1080 Soluble
139 L A 0.0000 Buried
140 A A -1.2078 Soluble
141 P A 0.0000 Buried
142 S A -1.2075 Soluble
143 S A -1.3309 Soluble
144 K A -1.7875 Soluble
145 G A -0.6277 Soluble
146 T A -0.4589 Soluble
147 A A -0.4647 Soluble
148 A A 0.0000 Buried
149 L A 0.0000 Buried
150 G A 0.0000 Buried
151 C A 0.0000 Buried
152 L A 0.0000 Buried
153 V A 0.0000 Buried
154 K A 0.0000 Buried
155 D A -0.3506 Soluble
156 Y A 0.0000 Buried
157 F A 0.0000 Buried
158 P A -0.6330 Soluble
159 E A -0.9290 Soluble
160 P A -1.0591 Soluble
161 V A -0.9571 Soluble
162 T A -0.8285 Soluble
163 V A -0.4915 Soluble
164 S A -0.4401 Soluble
165 W A 0.0000 Buried
166 N A -0.6704 Soluble
167 S A -0.6364 Soluble
168 G A -0.5170 Soluble
169 A A -0.2319 Soluble
170 L A 0.0174 Aggregation-prone
171 T A -0.1802 Soluble
172 S A -0.2100 Soluble
173 G A -0.2945 Soluble
174 V A 0.1262 Aggregation-prone
175 H A -0.3092 Soluble
176 T A 0.0240 Aggregation-prone
177 F A 0.0000 Buried
178 P A -0.2560 Soluble
179 A A 0.2246 Aggregation-prone
180 V A 0.5741 Aggregation-prone
181 L A 1.0918 Aggregation-prone
182 Q A 0.2875 Aggregation-prone
183 S A -0.0518 Soluble
184 S A -0.1805 Soluble
185 G A 0.0467 Aggregation-prone
186 L A 0.0812 Aggregation-prone
187 Y A 0.3617 Aggregation-prone
188 S A 0.0000 Buried
189 L A 0.0000 Buried
190 S A 0.0000 Buried
191 S A 0.0000 Buried
192 V A 0.0000 Buried
193 V A 0.0000 Buried
194 T A -0.1543 Soluble
195 V A 0.0000 Buried
196 P A -0.5657 Soluble
197 S A -0.5272 Soluble
198 S A -0.5828 Soluble
199 S A -0.5737 Soluble
200 L A -0.7958 Soluble
201 G A -0.9643 Soluble
202 T A -0.8845 Soluble
203 Q A -1.2106 Soluble
204 T A -1.0467 Soluble
205 Y A 0.0000 Buried
206 I A -1.0502 Soluble
207 C A 0.0000 Buried
208 N A -1.4681 Soluble
209 V A 0.0000 Buried
210 N A -2.5101 Soluble
211 H A 0.0000 Buried
212 K A -2.9400 Soluble
213 P A -1.7636 Soluble
214 S A -1.9222 Soluble
215 N A -2.6790 Soluble
216 T A -2.2499 Soluble
217 K A -2.8227 Soluble
218 V A -1.5435 Soluble
219 D A -2.2437 Soluble
220 K A -1.6642 Soluble
221 K A -2.0887 Soluble
222 V A 0.0000 Buried
223 E A -2.7761 Soluble
224 P A -1.8986 Soluble
225 K A -2.3298 Soluble
226 S A -1.1442 Soluble
1 D B -1.4407 Soluble
2 I B 0.0000 Buried
3 L B 0.5384 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.6335 Soluble
6 Q B 0.0000 Buried
7 S B -0.4098 Soluble
8 P B 0.1343 Aggregation-prone
9 A B 0.3063 Aggregation-prone
10 I B 0.9441 Aggregation-prone
11 L B 0.4575 Aggregation-prone
12 S B -0.0912 Soluble
13 V B 0.0000 Buried
14 S B -1.3935 Soluble
15 P B -1.3851 Soluble
16 G B -1.6365 Soluble
17 E B -2.2666 Soluble
18 R B -2.8769 Soluble
19 V B 0.0000 Buried
20 S B -0.8766 Soluble
21 F B 0.0000 Buried
22 S B -1.0123 Soluble
23 C B 0.0000 Buried
24 R B -2.2418 Soluble
25 A B 0.0000 Buried
26 S B -0.5859 Soluble
27 Q B -0.5220 Soluble
28 F B 0.8735 Aggregation-prone
29 V B 0.0000 Buried
36 G B 0.0287 Aggregation-prone
37 S B -0.1409 Soluble
38 S B 0.0627 Aggregation-prone
39 I B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B 0.0000 Buried
45 R B -1.9658 Soluble
46 T B -1.4926 Soluble
47 N B -1.8376 Soluble
48 G B -1.6702 Soluble
49 S B -1.3035 Soluble
50 P B 0.0000 Buried
51 R B -1.5397 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 K B -0.6913 Soluble
56 Y B -0.2573 Soluble
57 A B 0.0000 Buried
65 S B -1.1751 Soluble
66 E B -1.9439 Soluble
67 S B -1.1576 Soluble
68 M B -0.5616 Soluble
69 S B -0.5313 Soluble
70 G B -0.4752 Soluble
71 I B -0.1928 Soluble
72 P B -0.3395 Soluble
74 S B -0.6461 Soluble
75 R B -1.2942 Soluble
76 F B 0.0000 Buried
77 S B -0.9981 Soluble
78 G B -0.7517 Soluble
79 S B -0.8506 Soluble
80 G B -1.0075 Soluble
83 S B -0.6456 Soluble
84 G B -0.3403 Soluble
85 T B -1.0735 Soluble
86 D B -2.1708 Soluble
87 F B 0.0000 Buried
88 T B -0.8779 Soluble
89 L B 0.0000 Buried
90 S B -0.9734 Soluble
91 I B 0.0000 Buried
92 N B -2.5565 Soluble
93 T B -2.1589 Soluble
94 V B 0.0000 Buried
95 E B -2.1178 Soluble
96 S B -1.3807 Soluble
97 E B -1.8970 Soluble
98 D B 0.0000 Buried
99 I B -0.4933 Soluble
100 A B 0.0000 Buried
101 D B -0.6836 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 S B -0.1187 Soluble
108 H B -0.1853 Soluble
109 S B -0.1618 Soluble
114 W B 0.0418 Aggregation-prone
115 P B -0.4875 Soluble
116 F B 0.0000 Buried
117 T B -0.0325 Soluble
118 F B 0.2916 Aggregation-prone
119 G B 0.0000 Buried
120 S B -0.6237 Soluble
121 G B -0.2473 Soluble
122 T B 0.0000 Buried
123 N B -0.1202 Soluble
124 L B 0.0000 Buried
125 E B 0.0000 Buried
126 V B -0.5375 Soluble
127 K B -1.3559 Soluble
128 R B -1.1812 Soluble
129 T B -0.2046 Soluble
130 V B 0.3485 Aggregation-prone
131 A B -0.0054 Soluble
132 A B -0.1322 Soluble
133 P B 0.0000 Buried
134 S B -0.0719 Soluble
135 V B 0.1074 Aggregation-prone
136 F B 0.3144 Aggregation-prone
137 I B 0.1961 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.6776 Soluble
140 P B 0.0000 Buried
141 S B 0.0000 Buried
142 D B -2.7382 Soluble
143 E B -2.3405 Soluble
144 Q B 0.0000 Buried
145 L B -2.0498 Soluble
146 K B -2.6579 Soluble
147 S B -1.6660 Soluble
148 G B -1.2132 Soluble
149 T B -1.0584 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -1.0298 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.1730 Soluble
162 R B -1.5315 Soluble
163 E B -2.5738 Soluble
164 A B -1.9654 Soluble
165 K B -2.2803 Soluble
166 V B -1.1479 Soluble
167 Q B -0.7512 Soluble
168 W B 0.0000 Buried
169 K B -0.6902 Soluble
170 V B 0.0000 Buried
171 D B -1.7981 Soluble
172 N B -1.3742 Soluble
173 A B -0.2721 Soluble
174 L B 0.7065 Aggregation-prone
175 Q B -0.1071 Soluble
176 S B -0.3924 Soluble
177 G B -0.8680 Soluble
178 N B -0.7573 Soluble
179 S B -1.0220 Soluble
180 Q B -1.2455 Soluble
181 E B -1.5102 Soluble
182 S B -0.6379 Soluble
183 V B -0.1434 Soluble
184 T B -0.8234 Soluble
185 E B -1.8802 Soluble
186 Q B -1.6192 Soluble
187 D B -1.9233 Soluble
188 S B -1.7530 Soluble
189 K B -2.4674 Soluble
190 D B -2.2704 Soluble
191 S B -1.8992 Soluble
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.5871 Soluble
199 L B 0.0000 Buried
200 T B -0.4697 Soluble
201 L B -0.7790 Soluble
202 S B -1.2193 Soluble
203 K B -2.2463 Soluble
204 A B -2.0556 Soluble
205 D B -2.8852 Soluble
206 Y B 0.0000 Buried
207 E B -3.3457 Soluble
208 K B -3.5600 Soluble
209 H B -2.7290 Soluble
210 K B -2.5058 Soluble
211 V B -1.0678 Soluble
212 Y B 0.0000 Buried
213 A B -0.7536 Soluble
214 C B 0.0000 Buried
215 E B -1.1361 Soluble
216 V B 0.0000 Buried
217 T B -1.2512 Soluble
218 H B 0.0000 Buried
219 Q B -1.5850 Soluble
220 G B -0.4063 Soluble
221 L B -0.2363 Soluble
222 S B -0.4418 Soluble
223 S B -0.4427 Soluble
224 P B -0.6408 Soluble
225 V B -0.1487 Soluble
226 T B -0.5500 Soluble
227 K B -0.5900 Soluble
228 S B -0.4754 Soluble
229 F B -0.6612 Soluble
230 N B -1.4904 Soluble
231 R B -2.2027 Soluble
232 G B -2.0270 Soluble
233 E B -2.0627 Soluble
234 C B -0.9948 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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
Load structure at specific pH condition
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 -0.7079 2.6574 CSV PDB
4.5 -0.7572 2.626 CSV PDB
5.0 -0.8158 2.5974 CSV PDB
5.5 -0.8723 2.5827 CSV PDB
6.0 -0.9138 2.5742 CSV PDB
6.5 -0.9292 2.5657 CSV PDB
7.0 -0.9173 2.5574 CSV PDB
7.5 -0.8868 2.5499 CSV PDB
8.0 -0.8465 2.5439 CSV PDB
8.5 -0.7993 2.5403 CSV PDB
9.0 -0.7458 2.5387 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH