Infliximab / 6ugt

A4DAB142_6ugt_A_B | Source PDB: 6ugt | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6979
Max Score
1.761
Min Score
-3.7245
Total Score
-302.21
Score CDR
-0.1485
Score non-CDR
-0.7648

Calculation Parameters

Chain Sequence(s) EVKLEESGGGLVQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDILLTQSPAILSVSPGERVSFSCRASQFVGSSIHWYQQRTNGSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.7245
Maximum Score 1.761
Average Score -0.6979
Total Score -302.2097

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

Index Residue Chain A4D Score Classification
1 E A -2.0478 Soluble
2 V A -1.0996 Soluble
3 K A -1.6410 Soluble
4 L A 0.0000 Buried
5 E A -1.8661 Soluble
6 E A -1.1603 Soluble
7 S A -1.0783 Soluble
8 G A -1.1245 Soluble
9 G A -0.7979 Soluble
11 G A 0.0000 Buried
12 L A -0.2684 Soluble
13 V A 0.0000 Buried
14 Q A -1.8378 Soluble
15 P A -1.9925 Soluble
16 G A -2.0377 Soluble
17 G A 0.0000 Buried
18 S A -1.3779 Soluble
19 M A -1.1350 Soluble
20 K A -1.6283 Soluble
21 L A 0.0000 Buried
22 S A -0.6538 Soluble
23 C A 0.0000 Buried
24 V A -0.1894 Soluble
25 A A 0.0000 Buried
26 S A -0.7220 Soluble
27 G A -0.7449 Soluble
28 F A 0.4425 Aggregation-prone
29 I A 1.5612 Aggregation-prone
30 F A 0.0000 Buried
35 S A -0.7209 Soluble
36 N A -0.8266 Soluble
37 H A 0.0000 Buried
38 W A -0.0436 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 -0.6607 Soluble
45 S A 0.0000 Buried
46 P A -1.4631 Soluble
47 E A -2.7561 Soluble
48 K A -2.3645 Soluble
49 G A -1.3694 Soluble
50 L A 0.0000 Buried
51 E A -0.5740 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 -0.7073 Soluble
58 S A 0.0000 Buried
59 K A -2.2334 Soluble
60 S A -0.9926 Soluble
61 I A -0.0273 Soluble
62 N A -1.3166 Soluble
63 S A -1.1787 Soluble
64 A A -0.5904 Soluble
65 T A -0.4077 Soluble
66 H A -0.7888 Soluble
67 Y A -1.1186 Soluble
68 A A -1.4114 Soluble
69 E A -2.5262 Soluble
70 S A -1.5242 Soluble
71 V A 0.0000 Buried
72 K A -2.5837 Soluble
74 G A -1.7638 Soluble
75 R A 0.0000 Buried
76 F A 0.0000 Buried
77 T A -0.8044 Soluble
78 I A 0.0000 Buried
79 S A -0.4320 Soluble
80 R A -0.9508 Soluble
81 D A -1.4200 Soluble
82 D A -1.6669 Soluble
83 S A -1.4745 Soluble
84 K A -1.9929 Soluble
85 S A -0.7277 Soluble
86 A A 0.0000 Buried
87 V A 0.0000 Buried
88 Y A -0.3326 Soluble
89 L A 0.0000 Buried
90 Q A -1.1832 Soluble
91 M A 0.0000 Buried
92 T A -1.6020 Soluble
93 D A -2.5254 Soluble
94 L A 0.0000 Buried
95 R A -2.5546 Soluble
96 T A -1.8260 Soluble
97 E A -2.5923 Soluble
98 D A 0.0000 Buried
99 T A -0.7997 Soluble
100 G A 0.0000 Buried
101 V A 0.2158 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 1.4301 Aggregation-prone
109 Y A 1.1345 Aggregation-prone
110 G A 0.5898 Aggregation-prone
113 S A 0.0000 Buried
114 T A 0.0000 Buried
115 Y A 0.0000 Buried
116 D A -0.0496 Soluble
117 Y A 0.2442 Aggregation-prone
118 W A -0.6293 Soluble
119 G A 0.0000 Buried
120 Q A -1.9155 Soluble
121 G A -1.0761 Soluble
122 T A -0.6355 Soluble
123 T A -0.1166 Soluble
124 L A 0.0000 Buried
125 T A -0.5952 Soluble
126 V A 0.0000 Buried
127 S A -1.0161 Soluble
128 S A -0.7653 Soluble
129 A A -0.5656 Soluble
130 S A -0.7513 Soluble
131 T A -0.8996 Soluble
132 K A -1.8106 Soluble
133 G A -1.7668 Soluble
134 P A -0.8564 Soluble
135 S A -0.5999 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.1017 Soluble
139 L A 0.0000 Buried
140 A A -0.8795 Soluble
141 P A 0.0000 Buried
142 S A -0.8089 Soluble
143 S A -0.8480 Soluble
144 K A -1.2970 Soluble
145 S A 0.0000 Buried
146 T A -0.7661 Soluble
147 S A -0.7174 Soluble
148 G A -0.8333 Soluble
149 G A -0.8732 Soluble
150 T A -0.6088 Soluble
151 A A 0.0000 Buried
152 A A 0.0000 Buried
153 L A 0.0000 Buried
154 G A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 V A 0.0000 Buried
158 K A -0.3604 Soluble
159 D A -0.6641 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A 0.0000 Buried
163 E A -0.5545 Soluble
164 P A -0.7176 Soluble
165 V A -0.6601 Soluble
166 T A -0.5490 Soluble
167 V A -0.3100 Soluble
168 S A -0.3392 Soluble
169 W A 0.0000 Buried
170 N A -0.6471 Soluble
171 S A -0.6115 Soluble
172 G A -0.5183 Soluble
173 A A -0.2386 Soluble
174 L A 0.0187 Aggregation-prone
175 T A -0.1664 Soluble
176 S A -0.1740 Soluble
177 G A -0.2030 Soluble
178 V A 0.1710 Aggregation-prone
179 H A -0.2633 Soluble
180 T A 0.0362 Aggregation-prone
181 F A 0.0000 Buried
182 P A -0.2419 Soluble
183 A A 0.2697 Aggregation-prone
184 V A 0.5965 Aggregation-prone
185 L A 1.1913 Aggregation-prone
186 Q A 0.2659 Aggregation-prone
187 S A -0.0571 Soluble
188 S A -0.2269 Soluble
189 G A -0.0013 Soluble
190 L A 0.0045 Aggregation-prone
191 Y A 0.3404 Aggregation-prone
192 S A 0.0000 Buried
193 L A 0.0000 Buried
194 S A 0.0000 Buried
195 S A 0.0000 Buried
196 V A 0.0000 Buried
197 V A 0.0000 Buried
198 T A -0.1294 Soluble
199 V A 0.0000 Buried
200 P A -0.5206 Soluble
201 S A -0.5590 Soluble
202 S A -0.5342 Soluble
203 S A -0.5683 Soluble
204 L A -0.7434 Soluble
205 G A -1.1239 Soluble
206 T A -0.8883 Soluble
207 Q A -1.1913 Soluble
208 T A -1.0827 Soluble
209 Y A 0.0000 Buried
210 I A -1.0285 Soluble
211 C A 0.0000 Buried
212 N A -1.2595 Soluble
213 V A 0.0000 Buried
214 N A -1.8059 Soluble
215 H A 0.0000 Buried
216 K A -2.7536 Soluble
217 P A -1.6907 Soluble
218 S A -1.9399 Soluble
219 N A -2.5781 Soluble
220 T A -2.1280 Soluble
221 K A -2.5925 Soluble
222 V A -1.4988 Soluble
223 D A -1.9828 Soluble
224 K A -1.7399 Soluble
225 K A -2.1625 Soluble
226 V A 0.0000 Buried
227 E A -2.4503 Soluble
228 P A -1.2211 Soluble
1 D B -1.4984 Soluble
2 I B 0.0000 Buried
3 L B 0.6091 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.4920 Soluble
6 Q B 0.0000 Buried
7 S B -0.1947 Soluble
8 P B 0.3664 Aggregation-prone
9 A B 0.7053 Aggregation-prone
10 I B 1.7610 Aggregation-prone
11 L B 0.8682 Aggregation-prone
12 S B 0.0735 Aggregation-prone
13 V B -1.1748 Soluble
14 S B -1.5866 Soluble
15 P B -1.9246 Soluble
16 G B -2.2083 Soluble
17 E B -3.0071 Soluble
18 R B -3.3743 Soluble
19 V B 0.0000 Buried
20 S B -0.7424 Soluble
21 F B 0.0000 Buried
22 S B -0.9252 Soluble
23 C B 0.0000 Buried
24 R B -2.0111 Soluble
25 A B 0.0000 Buried
26 S B -0.6175 Soluble
27 Q B -0.5849 Soluble
28 F B 0.7217 Aggregation-prone
29 V B 0.0000 Buried
36 G B -0.0444 Soluble
37 S B -0.1636 Soluble
38 S B 0.0614 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 -1.6638 Soluble
45 R B -2.4284 Soluble
46 T B -1.8488 Soluble
47 N B -2.0590 Soluble
48 G B -1.7660 Soluble
49 S B -1.4233 Soluble
50 P B 0.0000 Buried
51 R B -1.9426 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 K B -0.7420 Soluble
56 Y B -0.1176 Soluble
57 A B 0.0000 Buried
65 S B -1.1876 Soluble
66 E B -1.9572 Soluble
67 S B -1.1460 Soluble
68 M B -0.6190 Soluble
69 S B -0.5357 Soluble
70 G B -0.4617 Soluble
71 I B -0.3594 Soluble
72 P B -0.3469 Soluble
74 S B -0.6626 Soluble
75 R B -1.2950 Soluble
76 F B 0.0000 Buried
77 S B -0.9998 Soluble
78 G B -0.7316 Soluble
79 S B -0.8784 Soluble
80 G B -1.1070 Soluble
83 S B -0.7201 Soluble
84 G B -0.4689 Soluble
85 T B -1.2033 Soluble
86 D B -2.3354 Soluble
87 F B 0.0000 Buried
88 T B -0.8803 Soluble
89 L B 0.0000 Buried
90 S B 0.0000 Buried
91 I B 0.0000 Buried
92 N B -2.7550 Soluble
93 T B -2.4698 Soluble
94 V B 0.0000 Buried
95 E B -2.7077 Soluble
96 S B -2.2894 Soluble
97 E B -2.3262 Soluble
98 D B 0.0000 Buried
99 I B 0.0000 Buried
100 A B 0.0000 Buried
101 D B -0.7778 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 -0.1514 Soluble
108 H B -0.3496 Soluble
109 S B -0.3380 Soluble
114 W B 0.0663 Aggregation-prone
115 P B -0.4664 Soluble
116 F B 0.0000 Buried
117 T B 0.0099 Aggregation-prone
118 F B 0.2083 Aggregation-prone
119 G B 0.0000 Buried
120 S B -0.5692 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 N B -0.0727 Soluble
124 L B 0.0000 Buried
125 E B -0.6401 Soluble
126 V B 0.0000 Buried
127 K B -1.2879 Soluble
128 R B -0.8671 Soluble
129 T B 0.2722 Aggregation-prone
130 V B 1.0296 Aggregation-prone
131 A B 0.2555 Aggregation-prone
132 A B 0.0507 Aggregation-prone
133 P B 0.0000 Buried
134 S B -0.2275 Soluble
135 V B 0.0000 Buried
136 F B 0.0000 Buried
137 I B 0.0000 Buried
138 F B 0.0000 Buried
139 P B -0.6978 Soluble
140 P B -0.8331 Soluble
141 S B -1.6011 Soluble
142 D B -2.9458 Soluble
143 E B -2.8802 Soluble
144 Q B 0.0000 Buried
145 L B -2.1981 Soluble
146 K B -2.7942 Soluble
147 S B -1.7460 Soluble
148 G B -1.4409 Soluble
149 T B -1.1596 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 -0.9284 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.5559 Soluble
162 R B -3.0405 Soluble
163 E B -3.2934 Soluble
164 A B -2.3776 Soluble
165 K B -2.5119 Soluble
166 V B -1.2280 Soluble
167 Q B -0.9248 Soluble
168 W B 0.0000 Buried
169 K B -0.8314 Soluble
170 V B 0.0000 Buried
171 D B -1.8890 Soluble
172 N B -1.5969 Soluble
173 A B -0.4618 Soluble
174 L B 0.2025 Aggregation-prone
175 Q B -0.5954 Soluble
176 S B -0.8906 Soluble
177 G B -1.3024 Soluble
178 N B -1.6891 Soluble
179 S B -1.4897 Soluble
180 Q B -1.3833 Soluble
181 E B -1.5008 Soluble
182 S B -0.7061 Soluble
183 V B -0.4524 Soluble
184 T B -1.0151 Soluble
185 E B -2.3547 Soluble
186 Q B 0.0000 Buried
187 D B -2.0978 Soluble
188 S B -2.3750 Soluble
189 K B -2.6817 Soluble
190 D B -2.1295 Soluble
191 S B 0.0000 Buried
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 -0.7456 Soluble
199 L B 0.0000 Buried
200 T B -0.8150 Soluble
201 L B 0.0000 Buried
202 S B -1.3138 Soluble
203 K B -2.2599 Soluble
204 A B -2.0904 Soluble
205 D B -3.1419 Soluble
206 Y B 0.0000 Buried
207 E B -3.4760 Soluble
208 K B -3.7245 Soluble
209 H B -3.0908 Soluble
210 K B -3.2441 Soluble
211 V B -1.4409 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.9835 Soluble
216 V B 0.0000 Buried
217 T B -1.2786 Soluble
218 H B 0.0000 Buried
219 Q B -1.6485 Soluble
220 G B -0.2587 Soluble
221 L B -0.1845 Soluble
222 S B -0.4750 Soluble
223 S B -0.4619 Soluble
224 P B -0.4998 Soluble
225 V B -0.1315 Soluble
226 T B -0.5302 Soluble
227 K B -0.8899 Soluble
228 S B -0.7810 Soluble
229 F B 0.0000 Buried
230 N B -2.0221 Soluble
231 R B -2.5645 Soluble
232 G B -2.3731 Soluble
233 E B -2.5262 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 -0.6941 3.2169 CSV PDB
4.5 -0.7435 3.195 CSV PDB
5.0 -0.8029 3.1682 CSV PDB
5.5 -0.861 3.1396 CSV PDB
6.0 -0.9042 3.1116 CSV PDB
6.5 -0.922 3.0866 CSV PDB
7.0 -0.9136 3.066 CSV PDB
7.5 -0.8875 3.0491 CSV PDB
8.0 -0.8517 3.0346 CSV PDB
8.5 -0.8093 3.0229 CSV PDB
9.0 -0.7609 3.0149 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH