Infliximab / 5vh3

A4DAB142_5vh3_H_L | Source PDB: 5vh3 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6963
Max Score
1.5944
Min Score
-3.5178
Total Score
-300.82
Score CDR
-0.1515
Score non-CDR
-0.7629

Calculation Parameters

Chain Sequence(s) EVKLEESGGGLVQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDILLTQSPAILSVSPGERVSFSCRASQFVGSSIHWYQQRTNGSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.5178
Maximum Score 1.5944
Average Score -0.6963
Total Score -300.8202

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

Index Residue Chain A4D Score Classification
1 E H -2.1961 Soluble
2 V H -1.4103 Soluble
3 K H -2.0652 Soluble
4 L H 0.0000 Buried
5 E H -1.4154 Soluble
6 E H 0.0000 Buried
7 S H -0.8554 Soluble
8 G H -0.8790 Soluble
9 G H -0.5018 Soluble
11 G H -0.0915 Soluble
12 L H 0.4043 Aggregation-prone
13 V H -0.4171 Soluble
14 Q H -1.6848 Soluble
15 P H -1.9168 Soluble
16 G H -1.9824 Soluble
17 G H -1.4137 Soluble
18 S H -1.4374 Soluble
19 M H -0.9701 Soluble
20 K H -1.6280 Soluble
21 L H 0.0000 Buried
22 S H -0.5069 Soluble
23 C H 0.0000 Buried
24 V H -0.0130 Soluble
25 A H 0.0000 Buried
26 S H -0.8101 Soluble
27 G H -0.8527 Soluble
28 F H 0.3673 Aggregation-prone
29 I H 1.5944 Aggregation-prone
30 F H 0.0000 Buried
35 S H -0.7042 Soluble
36 N H -0.7554 Soluble
37 H H 0.0000 Buried
38 W H 0.0313 Aggregation-prone
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 -0.6746 Soluble
45 S H 0.0000 Buried
46 P H -1.4460 Soluble
47 E H -2.6679 Soluble
48 K H -2.2260 Soluble
49 G H -1.3052 Soluble
50 L H 0.0000 Buried
51 E H -0.6310 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 -0.7222 Soluble
58 S H 0.0000 Buried
59 K H -2.1987 Soluble
60 S H -1.0701 Soluble
61 I H -0.1894 Soluble
62 N H -1.4079 Soluble
63 S H -1.2106 Soluble
64 A H -0.6084 Soluble
65 T H -0.3785 Soluble
66 H H -0.6682 Soluble
67 Y H -1.0205 Soluble
68 A H -1.4099 Soluble
69 E H -2.5265 Soluble
70 S H -1.7736 Soluble
71 V H 0.0000 Buried
72 K H -2.5135 Soluble
74 G H -1.7226 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -0.8734 Soluble
78 I H 0.0000 Buried
79 S H -0.5092 Soluble
80 R H -1.0067 Soluble
81 D H -1.3689 Soluble
82 D H -1.3947 Soluble
83 S H -1.4237 Soluble
84 K H -1.9611 Soluble
85 S H -0.6772 Soluble
86 A H 0.0000 Buried
87 V H 0.0000 Buried
88 Y H -0.4363 Soluble
89 L H 0.0000 Buried
90 Q H -1.4334 Soluble
91 M H 0.0000 Buried
92 T H -1.6856 Soluble
93 D H -2.5508 Soluble
94 L H 0.0000 Buried
95 R H -2.4978 Soluble
96 T H -1.7482 Soluble
97 E H -2.4981 Soluble
98 D H 0.0000 Buried
99 T H -0.7470 Soluble
100 G H -0.5948 Soluble
101 V H 0.1022 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 1.4654 Aggregation-prone
109 Y H 1.4648 Aggregation-prone
110 G H 0.7208 Aggregation-prone
113 S H 0.0000 Buried
114 T H 0.0000 Buried
115 Y H 0.0000 Buried
116 D H -0.1383 Soluble
117 Y H -0.0013 Soluble
118 W H -0.7046 Soluble
119 G H 0.0000 Buried
120 Q H -1.8348 Soluble
121 G H -0.9774 Soluble
122 T H -0.5910 Soluble
123 T H -0.1643 Soluble
124 L H 0.0000 Buried
125 T H -0.4342 Soluble
126 V H 0.0000 Buried
127 S H -0.8922 Soluble
128 S H -0.7103 Soluble
129 A H -0.4598 Soluble
130 S H -0.6423 Soluble
131 T H -0.6371 Soluble
132 K H -1.1563 Soluble
133 G H -1.4346 Soluble
134 P H 0.0000 Buried
135 S H -0.3661 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2743 Soluble
139 L H 0.0000 Buried
140 A H -1.2871 Soluble
141 P H 0.0000 Buried
142 S H -1.2537 Soluble
143 S H -1.3840 Soluble
144 K H -1.8092 Soluble
145 G H -0.6439 Soluble
146 T H -0.4897 Soluble
147 A H -0.4844 Soluble
148 A H 0.0000 Buried
149 L H 0.0000 Buried
150 G H 0.0000 Buried
151 C H 0.0000 Buried
152 L H 0.0000 Buried
153 V H 0.0000 Buried
154 K H 0.0000 Buried
155 D H -0.3679 Soluble
156 Y H 0.0000 Buried
157 F H 0.0000 Buried
158 P H -0.7208 Soluble
159 E H -1.1360 Soluble
160 P H -1.1888 Soluble
161 V H -1.0321 Soluble
162 T H -0.8660 Soluble
163 V H -0.5207 Soluble
164 S H -0.4609 Soluble
165 W H 0.0000 Buried
166 N H -0.7080 Soluble
167 S H -0.6227 Soluble
168 G H -0.4986 Soluble
169 A H -0.2197 Soluble
170 L H 0.0059 Aggregation-prone
171 T H -0.1873 Soluble
172 S H -0.2299 Soluble
173 G H -0.3114 Soluble
174 V H 0.1117 Aggregation-prone
175 H H -0.2899 Soluble
176 T H 0.0365 Aggregation-prone
177 F H 0.0000 Buried
178 P H -0.2397 Soluble
179 A H 0.1854 Aggregation-prone
180 V H 0.5527 Aggregation-prone
181 L H 1.0458 Aggregation-prone
182 Q H 0.2711 Aggregation-prone
183 S H -0.0555 Soluble
184 S H -0.1858 Soluble
185 G H 0.0337 Aggregation-prone
186 L H 0.0486 Aggregation-prone
187 Y H 0.3114 Aggregation-prone
188 S H 0.0000 Buried
189 L H 0.0000 Buried
190 S H 0.0000 Buried
191 S H 0.0000 Buried
192 V H 0.0000 Buried
193 V H 0.0000 Buried
194 T H -0.1626 Soluble
195 V H 0.0000 Buried
196 P H -0.4928 Soluble
197 S H -0.7254 Soluble
198 S H -0.5912 Soluble
199 S H -0.5374 Soluble
200 L H -0.7060 Soluble
201 G H -0.8917 Soluble
202 T H -0.6327 Soluble
203 Q H -1.0226 Soluble
204 T H -1.0451 Soluble
205 Y H 0.0000 Buried
206 I H -1.2522 Soluble
207 C H 0.0000 Buried
208 N H -1.6015 Soluble
209 V H 0.0000 Buried
210 N H -2.5844 Soluble
211 H H 0.0000 Buried
212 K H -2.9730 Soluble
213 P H -1.7824 Soluble
214 S H -1.9088 Soluble
215 N H -2.6948 Soluble
216 T H -2.2600 Soluble
217 K H -2.8858 Soluble
218 V H -1.7187 Soluble
219 D H -2.4372 Soluble
220 K H -1.9753 Soluble
221 K H -2.5175 Soluble
222 V H 0.0000 Buried
223 E H -2.8780 Soluble
224 P H -2.0096 Soluble
225 K H -2.4865 Soluble
226 S H -1.1917 Soluble
1 D L -1.4517 Soluble
2 I L 0.0000 Buried
3 L L 0.5422 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.5742 Soluble
6 Q L 0.0000 Buried
7 S L -0.3864 Soluble
8 P L 0.0950 Aggregation-prone
9 A L 0.2285 Aggregation-prone
10 I L 0.7472 Aggregation-prone
11 L L 0.3958 Aggregation-prone
12 S L -0.1636 Soluble
13 V L 0.0000 Buried
14 S L -1.4534 Soluble
15 P L -1.5869 Soluble
16 G L -1.9509 Soluble
17 E L -2.4785 Soluble
18 R L -2.9552 Soluble
19 V L 0.0000 Buried
20 S L -0.8379 Soluble
21 F L 0.0000 Buried
22 S L -0.9125 Soluble
23 C L 0.0000 Buried
24 R L -2.1265 Soluble
25 A L 0.0000 Buried
26 S L -0.5817 Soluble
27 Q L -0.5330 Soluble
28 F L 0.8848 Aggregation-prone
29 V L 0.0000 Buried
36 G L 0.0565 Aggregation-prone
37 S L -0.1475 Soluble
38 S L 0.0248 Aggregation-prone
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 -2.0073 Soluble
46 T L -1.4904 Soluble
47 N L -1.8315 Soluble
48 G L -1.7144 Soluble
49 S L -1.3765 Soluble
50 P L 0.0000 Buried
51 R L -1.9152 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 K L -0.9582 Soluble
56 Y L -0.3833 Soluble
57 A L 0.0000 Buried
65 S L -1.2884 Soluble
66 E L -2.0730 Soluble
67 S L -1.2429 Soluble
68 M L -0.6593 Soluble
69 S L -0.5368 Soluble
70 G L -0.4448 Soluble
71 I L -0.3019 Soluble
72 P L -0.2979 Soluble
74 S L -0.6187 Soluble
75 R L -1.2637 Soluble
76 F L 0.0000 Buried
77 S L -1.0076 Soluble
78 G L -0.8070 Soluble
79 S L -0.8314 Soluble
80 G L -0.9479 Soluble
83 S L -0.4097 Soluble
84 G L -0.3034 Soluble
85 T L -0.9959 Soluble
86 D L -1.9733 Soluble
87 F L 0.0000 Buried
88 T L -0.8205 Soluble
89 L L 0.0000 Buried
90 S L -0.9616 Soluble
91 I L 0.0000 Buried
92 N L -2.5899 Soluble
93 T L -2.3580 Soluble
94 V L 0.0000 Buried
95 E L -2.4366 Soluble
96 S L -1.5593 Soluble
97 E L -2.0207 Soluble
98 D L 0.0000 Buried
99 I L -0.5465 Soluble
100 A L 0.0000 Buried
101 D L -0.7073 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 -0.1316 Soluble
108 H L -0.1972 Soluble
109 S L -0.1964 Soluble
114 W L -0.0544 Soluble
115 P L -0.5197 Soluble
116 F L 0.0000 Buried
117 T L -0.0413 Soluble
118 F L 0.2089 Aggregation-prone
119 G L 0.0000 Buried
120 S L -0.5793 Soluble
121 G L -0.2687 Soluble
122 T L 0.0000 Buried
123 N L -0.1746 Soluble
124 L L 0.0000 Buried
125 E L 0.0000 Buried
126 V L -0.4291 Soluble
127 K L -1.0618 Soluble
128 R L -0.9728 Soluble
129 T L -0.1452 Soluble
130 V L 0.3505 Aggregation-prone
131 A L 0.0047 Aggregation-prone
132 A L -0.1509 Soluble
133 P L 0.0000 Buried
134 S L -0.1267 Soluble
135 V L 0.0000 Buried
136 F L 0.1676 Aggregation-prone
137 I L 0.1269 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.7123 Soluble
140 P L 0.0000 Buried
141 S L 0.0000 Buried
142 D L -2.9656 Soluble
143 E L -2.5368 Soluble
144 Q L 0.0000 Buried
145 L L -2.0833 Soluble
146 K L -2.7000 Soluble
147 S L -1.6911 Soluble
148 G L -1.1747 Soluble
149 T L -0.9509 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 -0.8520 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.1222 Soluble
162 R L -1.5688 Soluble
163 E L -2.6280 Soluble
164 A L -2.0332 Soluble
165 K L -2.4051 Soluble
166 V L -1.2768 Soluble
167 Q L -0.9902 Soluble
168 W L 0.0000 Buried
169 K L -0.9838 Soluble
170 V L 0.0000 Buried
171 D L -2.0016 Soluble
172 N L -1.6722 Soluble
173 A L -0.5324 Soluble
174 L L 0.1474 Aggregation-prone
175 Q L -0.6031 Soluble
176 S L -0.7934 Soluble
177 G L -1.2637 Soluble
178 N L -1.5561 Soluble
179 S L -1.4492 Soluble
180 Q L -1.4184 Soluble
181 E L -1.4875 Soluble
182 S L -0.6023 Soluble
183 V L -0.0879 Soluble
184 T L -0.8161 Soluble
185 E L -1.9329 Soluble
186 Q L -1.6692 Soluble
187 D L -1.9856 Soluble
188 S L -1.7406 Soluble
189 K L -2.3224 Soluble
190 D L -1.8746 Soluble
191 S L -1.6884 Soluble
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 -0.7072 Soluble
199 L L 0.0000 Buried
200 T L -0.6225 Soluble
201 L L -0.7813 Soluble
202 S L -1.0030 Soluble
203 K L -1.9732 Soluble
204 A L -1.7855 Soluble
205 D L -2.3996 Soluble
206 Y L 0.0000 Buried
207 E L -3.2995 Soluble
208 K L -3.5178 Soluble
209 H L -2.9701 Soluble
210 K L -3.2448 Soluble
211 V L -1.4355 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -1.1683 Soluble
216 V L 0.0000 Buried
217 T L -1.3281 Soluble
218 H L 0.0000 Buried
219 Q L -1.6311 Soluble
220 G L -0.4503 Soluble
221 L L -0.2579 Soluble
222 S L -0.4583 Soluble
223 S L -0.4431 Soluble
224 P L -0.6337 Soluble
225 V L -0.1827 Soluble
226 T L -0.5808 Soluble
227 K L -0.6019 Soluble
228 S L -0.5083 Soluble
229 F L -0.8631 Soluble
230 N L -1.9339 Soluble
231 R L -2.4984 Soluble
232 G L -2.1912 Soluble
233 E L -2.2021 Soluble
234 C L -0.9753 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 -0.7324 2.6626 CSV PDB
4.5 -0.779 2.6359 CSV PDB
5.0 -0.8341 2.6116 CSV PDB
5.5 -0.8868 2.5928 CSV PDB
6.0 -0.9245 2.5756 CSV PDB
6.5 -0.9365 2.5537 CSV PDB
7.0 -0.9219 2.5436 CSV PDB
7.5 -0.8894 2.5375 CSV PDB
8.0 -0.8474 2.5332 CSV PDB
8.5 -0.7992 2.531 CSV PDB
9.0 -0.7453 2.5301 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH