Infliximab / 6ugu

A4DAB142_6ugu_A_B | Source PDB: 6ugu | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.67
Max Score
1.6338
Min Score
-3.5832
Total Score
-289.43
Score CDR
-0.097
Score non-CDR
-0.7399

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 -3.5832
Maximum Score 1.6338
Average Score -0.67
Total Score -289.4257

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

Index Residue Chain A4D Score Classification
1 E A -2.0424 Soluble
2 V A -1.0703 Soluble
3 K A -1.7694 Soluble
4 L A 0.0000 Buried
5 E A -1.7359 Soluble
6 E A -1.0872 Soluble
7 S A -1.0877 Soluble
8 G A -1.0428 Soluble
9 G A -0.6248 Soluble
11 G A -0.1525 Soluble
12 L A 0.3918 Aggregation-prone
13 V A -0.3687 Soluble
14 Q A -1.6383 Soluble
15 P A -1.8707 Soluble
16 G A -1.9520 Soluble
17 G A -1.3621 Soluble
18 S A -1.3756 Soluble
19 M A -1.0566 Soluble
20 K A -1.8697 Soluble
21 L A 0.0000 Buried
22 S A -0.6553 Soluble
23 C A 0.0000 Buried
24 V A -0.1739 Soluble
25 A A 0.0000 Buried
26 S A -0.6624 Soluble
27 G A -0.6708 Soluble
28 F A 0.4948 Aggregation-prone
29 I A 1.6338 Aggregation-prone
30 F A 0.0000 Buried
35 S A -0.6631 Soluble
36 N A -0.7014 Soluble
37 H A -0.0533 Soluble
38 W A -0.0637 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 -0.7504 Soluble
45 S A -1.4382 Soluble
46 P A -1.5771 Soluble
47 E A -2.9092 Soluble
48 K A -2.7206 Soluble
49 G A -1.5532 Soluble
50 L A 0.0000 Buried
51 E A -0.6853 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 -0.7143 Soluble
58 S A 0.0000 Buried
59 K A -2.0900 Soluble
60 S A -0.9180 Soluble
61 I A 0.1069 Aggregation-prone
62 N A -1.2598 Soluble
63 S A -1.1060 Soluble
64 A A -0.5416 Soluble
65 T A -0.3882 Soluble
66 H A -0.7397 Soluble
67 Y A -1.0496 Soluble
68 A A -1.3957 Soluble
69 E A -2.5004 Soluble
70 S A -1.7198 Soluble
71 V A 0.0000 Buried
72 K A -2.5556 Soluble
74 G A -1.7538 Soluble
75 R A 0.0000 Buried
76 F A 0.0000 Buried
77 T A -0.7293 Soluble
78 I A 0.0000 Buried
79 S A -0.3823 Soluble
80 R A -0.9762 Soluble
81 D A -1.3343 Soluble
82 D A -1.4944 Soluble
83 S A -1.4380 Soluble
84 K A -1.9765 Soluble
85 S A -0.7168 Soluble
86 A A 0.0000 Buried
87 V A 0.0000 Buried
88 Y A -0.3076 Soluble
89 L A 0.0000 Buried
90 Q A -1.0269 Soluble
91 M A 0.0000 Buried
92 T A -1.5930 Soluble
93 D A -2.5085 Soluble
94 L A 0.0000 Buried
95 R A -2.5109 Soluble
96 T A -1.7915 Soluble
97 E A -2.6513 Soluble
98 D A 0.0000 Buried
99 T A -0.7538 Soluble
100 G A 0.0000 Buried
101 V A 0.1687 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 1.4164 Aggregation-prone
109 Y A 1.1791 Aggregation-prone
110 G A 0.6067 Aggregation-prone
113 S A 0.0000 Buried
114 T A 0.0000 Buried
115 Y A 0.0000 Buried
116 D A 0.1493 Aggregation-prone
117 Y A 0.3972 Aggregation-prone
118 W A -0.4396 Soluble
119 G A 0.0000 Buried
120 Q A -1.9049 Soluble
121 G A -1.0612 Soluble
122 T A -0.6603 Soluble
123 T A -0.1532 Soluble
124 L A 0.0000 Buried
125 T A -0.4033 Soluble
126 V A 0.0000 Buried
127 S A -0.9247 Soluble
128 S A -0.6888 Soluble
129 A A -0.4650 Soluble
130 S A -0.6587 Soluble
131 T A -0.6434 Soluble
132 K A -1.2125 Soluble
133 G A -1.4034 Soluble
134 P A 0.0000 Buried
135 S A -0.3500 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A 0.0000 Buried
139 L A 0.0000 Buried
140 A A -1.1470 Soluble
141 P A 0.0000 Buried
142 S A -1.1228 Soluble
143 S A -1.2629 Soluble
144 K A -1.7880 Soluble
145 G A -0.6317 Soluble
146 T A -0.4544 Soluble
147 A A -0.4728 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 -0.3453 Soluble
156 Y A 0.0000 Buried
157 F A 0.0000 Buried
158 P A -0.6404 Soluble
159 E A -0.9231 Soluble
160 P A -1.0491 Soluble
161 V A -0.8912 Soluble
162 T A -0.7285 Soluble
163 V A -0.4092 Soluble
164 S A -0.4317 Soluble
165 W A 0.0000 Buried
166 N A -0.7536 Soluble
167 S A -0.6650 Soluble
168 G A -0.5394 Soluble
169 A A -0.2511 Soluble
170 L A -0.0118 Soluble
171 T A -0.1775 Soluble
172 S A -0.1769 Soluble
173 G A -0.2228 Soluble
174 V A 0.1707 Aggregation-prone
175 H A -0.3062 Soluble
176 T A 0.0417 Aggregation-prone
177 F A 0.0000 Buried
178 P A -0.2474 Soluble
179 A A 0.2256 Aggregation-prone
180 V A 0.5355 Aggregation-prone
181 L A 1.1901 Aggregation-prone
182 Q A 0.3326 Aggregation-prone
183 S A -0.0298 Soluble
184 S A -0.1645 Soluble
185 G A 0.0856 Aggregation-prone
186 L A 0.1110 Aggregation-prone
187 Y A 0.3893 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 -0.1292 Soluble
195 V A 0.0000 Buried
196 P A -0.5522 Soluble
197 S A -0.5418 Soluble
198 S A -0.5768 Soluble
199 S A -0.5506 Soluble
200 L A -0.7849 Soluble
201 G A -0.9633 Soluble
202 T A -0.8335 Soluble
203 Q A -1.1003 Soluble
204 T A -1.0877 Soluble
205 Y A 0.0000 Buried
206 I A -1.2583 Soluble
207 C A 0.0000 Buried
208 N A -1.4550 Soluble
209 V A 0.0000 Buried
210 N A -2.2527 Soluble
211 H A 0.0000 Buried
212 K A -2.8624 Soluble
213 P A -1.7203 Soluble
214 S A -1.8883 Soluble
215 N A -2.6300 Soluble
216 T A -2.1563 Soluble
217 K A -2.7137 Soluble
218 V A -1.5081 Soluble
219 D A -2.2994 Soluble
220 K A -1.8188 Soluble
221 K A -2.4420 Soluble
222 V A 0.0000 Buried
223 E A -2.7679 Soluble
224 P A -1.7309 Soluble
225 K A -1.9996 Soluble
226 S A -0.9794 Soluble
1 D B -1.3378 Soluble
2 I B 0.0703 Aggregation-prone
3 L B 0.6377 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.5844 Soluble
6 Q B 0.0000 Buried
7 S B -0.3919 Soluble
8 P B 0.1432 Aggregation-prone
9 A B 0.3109 Aggregation-prone
10 I B 0.9455 Aggregation-prone
11 L B 0.4981 Aggregation-prone
12 S B -0.1316 Soluble
13 V B 0.0000 Buried
14 S B -1.5074 Soluble
15 P B -1.5050 Soluble
16 G B -1.9522 Soluble
17 E B -2.4323 Soluble
18 R B -2.9703 Soluble
19 V B 0.0000 Buried
20 S B -0.8797 Soluble
21 F B 0.0000 Buried
22 S B -0.9360 Soluble
23 C B 0.0000 Buried
24 R B -2.1497 Soluble
25 A B 0.0000 Buried
26 S B -0.4771 Soluble
27 Q B -0.4085 Soluble
28 F B 0.9430 Aggregation-prone
29 V B 0.0000 Buried
36 G B 0.0826 Aggregation-prone
37 S B -0.0756 Soluble
38 S B 0.1109 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 -1.7166 Soluble
46 T B -1.4216 Soluble
47 N B -1.7956 Soluble
48 G B -1.5115 Soluble
49 S B -1.0651 Soluble
50 P B 0.0000 Buried
51 R B -0.7717 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 K B -0.7317 Soluble
56 Y B -0.1431 Soluble
57 A B 0.0000 Buried
65 S B -1.1772 Soluble
66 E B -1.9334 Soluble
67 S B -1.1020 Soluble
68 M B -0.5965 Soluble
69 S B -0.5248 Soluble
70 G B -0.4671 Soluble
71 I B -0.1730 Soluble
72 P B -0.2965 Soluble
74 S B -0.6152 Soluble
75 R B -1.2413 Soluble
76 F B 0.0000 Buried
77 S B -0.9923 Soluble
78 G B 0.0000 Buried
79 S B -0.8137 Soluble
80 G B -0.9416 Soluble
83 S B -0.5866 Soluble
84 G B -0.2716 Soluble
85 T B -0.9599 Soluble
86 D B -1.9582 Soluble
87 F B 0.0000 Buried
88 T B -0.8264 Soluble
89 L B 0.0000 Buried
90 S B -0.9780 Soluble
91 I B 0.0000 Buried
92 N B -2.6092 Soluble
93 T B -2.2585 Soluble
94 V B 0.0000 Buried
95 E B -2.0842 Soluble
96 S B -1.3617 Soluble
97 E B -1.8324 Soluble
98 D B 0.0000 Buried
99 I B -0.4724 Soluble
100 A B 0.0000 Buried
101 D B -0.6379 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 0.0000 Buried
108 H B -0.1416 Soluble
109 S B -0.1354 Soluble
114 W B 0.0414 Aggregation-prone
115 P B -0.4788 Soluble
116 F B 0.0000 Buried
117 T B 0.0089 Aggregation-prone
118 F B 0.1830 Aggregation-prone
119 G B 0.0000 Buried
120 S B -0.6773 Soluble
121 G B -0.2406 Soluble
122 T B 0.0000 Buried
123 N B -0.0828 Soluble
124 L B 0.0000 Buried
125 E B 0.0000 Buried
126 V B -0.6232 Soluble
127 K B -1.4128 Soluble
128 R B -1.1344 Soluble
129 T B -0.2061 Soluble
130 V B 0.3052 Aggregation-prone
131 A B -0.0264 Soluble
132 A B -0.1736 Soluble
133 P B 0.0000 Buried
134 S B -0.1532 Soluble
135 V B 0.0000 Buried
136 F B 0.1745 Aggregation-prone
137 I B 0.1013 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.6932 Soluble
140 P B 0.0000 Buried
141 S B 0.0000 Buried
142 D B -2.7619 Soluble
143 E B -2.3931 Soluble
144 Q B 0.0000 Buried
145 L B -2.0731 Soluble
146 K B -2.6827 Soluble
147 S B -1.6984 Soluble
148 G B -1.2321 Soluble
149 T B -1.0006 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 -1.0268 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.2320 Soluble
162 R B -1.6664 Soluble
163 E B -2.6300 Soluble
164 A B -2.0541 Soluble
165 K B -2.3147 Soluble
166 V B 0.0000 Buried
167 Q B -0.8075 Soluble
168 W B 0.0000 Buried
169 K B -0.6506 Soluble
170 V B 0.0000 Buried
171 D B -1.7713 Soluble
172 N B -1.3104 Soluble
173 A B -0.2453 Soluble
174 L B 0.7060 Aggregation-prone
175 Q B -0.3008 Soluble
176 S B -0.6116 Soluble
177 G B -1.2181 Soluble
178 N B -1.4504 Soluble
179 S B -1.4952 Soluble
180 Q B -1.6280 Soluble
181 E B -1.9300 Soluble
182 S B -0.8268 Soluble
183 V B -0.2708 Soluble
184 T B -0.9051 Soluble
185 E B -1.9832 Soluble
186 Q B -1.7763 Soluble
187 D B -2.1407 Soluble
188 S B -1.8214 Soluble
189 K B -2.3955 Soluble
190 D B -2.0103 Soluble
191 S B -1.8790 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 -0.7902 Soluble
199 L B 0.0000 Buried
200 T B -0.6302 Soluble
201 L B -0.8245 Soluble
202 S B -1.2600 Soluble
203 K B -2.0456 Soluble
204 A B -1.9016 Soluble
205 D B -2.6159 Soluble
206 Y B 0.0000 Buried
207 E B -3.3365 Soluble
208 K B -3.5832 Soluble
209 H B -2.9097 Soluble
210 K B -2.7952 Soluble
211 V B -1.1094 Soluble
212 Y B 0.0000 Buried
213 A B -0.7833 Soluble
214 C B 0.0000 Buried
215 E B -1.2443 Soluble
216 V B 0.0000 Buried
217 T B -1.2776 Soluble
218 H B 0.0000 Buried
219 Q B -1.6145 Soluble
220 G B -0.4393 Soluble
221 L B -0.2798 Soluble
222 S B -0.4627 Soluble
223 S B -0.4256 Soluble
224 P B -0.6190 Soluble
225 V B -0.1625 Soluble
226 T B -0.6281 Soluble
227 K B -0.7210 Soluble
228 S B -0.5106 Soluble
229 F B -0.7228 Soluble
230 N B -1.5456 Soluble
231 R B -2.2910 Soluble
232 G B -2.0664 Soluble
233 E B -2.0912 Soluble
234 C B -0.9212 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
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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 -0.6971 2.6957 CSV PDB
4.5 -0.7455 2.6686 CSV PDB
5.0 -0.803 2.6538 CSV PDB
5.5 -0.8581 2.6492 CSV PDB
6.0 -0.898 2.6427 CSV PDB
6.5 -0.912 2.6348 CSV PDB
7.0 -0.899 2.6266 CSV PDB
7.5 -0.8678 2.619 CSV PDB
8.0 -0.827 2.6132 CSV PDB
8.5 -0.7799 2.6099 CSV PDB
9.0 -0.7268 2.6085 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH