Infliximab / 6ugs

A4DAB142_6ugs_H_L | Source PDB: 6ugs | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6988
Max Score
1.599
Min Score
-3.7959
Total Score
-301.16
Score CDR
-0.1541
Score non-CDR
-0.7654

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 -3.7959
Maximum Score 1.599
Average Score -0.6988
Total Score -301.1634

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

Index Residue Chain A4D Score Classification
1 E H -2.0692 Soluble
2 V H -1.1280 Soluble
3 K H -1.8079 Soluble
4 L H 0.0000 Buried
5 E H -1.8753 Soluble
6 E H 0.0000 Buried
7 S H -0.9598 Soluble
8 G H -0.8717 Soluble
9 G H -0.5019 Soluble
11 G H -0.1031 Soluble
12 L H 0.3929 Aggregation-prone
13 V H -0.4252 Soluble
14 Q H -1.6887 Soluble
15 P H -1.9338 Soluble
16 G H -1.9928 Soluble
17 G H -1.4116 Soluble
18 S H -1.4382 Soluble
19 M H -0.9803 Soluble
20 K H -1.6052 Soluble
21 L H 0.0000 Buried
22 S H -0.5618 Soluble
23 C H 0.0000 Buried
24 V H -0.1861 Soluble
25 A H 0.0000 Buried
26 S H -0.6505 Soluble
27 G H -0.7144 Soluble
28 F H 0.4630 Aggregation-prone
29 I H 1.5990 Aggregation-prone
30 F H 0.0000 Buried
35 S H -0.7438 Soluble
36 N H -0.8292 Soluble
37 H H -0.1061 Soluble
38 W H -0.0997 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 -0.6465 Soluble
45 S H 0.0000 Buried
46 P H -1.4402 Soluble
47 E H -2.6678 Soluble
48 K H -2.2257 Soluble
49 G H -1.2705 Soluble
50 L H 0.0000 Buried
51 E H -0.5728 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 -0.8226 Soluble
58 S H 0.0000 Buried
59 K H -2.2720 Soluble
60 S H -1.1196 Soluble
61 I H -0.2867 Soluble
62 N H -1.4642 Soluble
63 S H -1.2376 Soluble
64 A H -0.6371 Soluble
65 T H -0.3819 Soluble
66 H H -0.6471 Soluble
67 Y H -0.9721 Soluble
68 A H -1.3533 Soluble
69 E H -2.4781 Soluble
70 S H -1.6973 Soluble
71 V H 0.0000 Buried
72 K H -2.4898 Soluble
74 G H -1.7187 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -0.8387 Soluble
78 I H 0.0000 Buried
79 S H -0.4866 Soluble
80 R H -1.0167 Soluble
81 D H -1.4287 Soluble
82 D H -1.6883 Soluble
83 S H -1.5183 Soluble
84 K H -2.0325 Soluble
85 S H -0.7582 Soluble
86 A H 0.0000 Buried
87 V H 0.0000 Buried
88 Y H -0.2988 Soluble
89 L H 0.0000 Buried
90 Q H -1.4019 Soluble
91 M H 0.0000 Buried
92 T H -1.6933 Soluble
93 D H -2.5579 Soluble
94 L H 0.0000 Buried
95 R H -2.5722 Soluble
96 T H -1.8192 Soluble
97 E H -2.6106 Soluble
98 D H 0.0000 Buried
99 T H -0.7904 Soluble
100 G H -0.6018 Soluble
101 V H 0.1237 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 1.4142 Aggregation-prone
109 Y H 1.1552 Aggregation-prone
110 G H 0.5820 Aggregation-prone
113 S H 0.0000 Buried
114 T H 0.0000 Buried
115 Y H 0.0000 Buried
116 D H 0.1311 Aggregation-prone
117 Y H 0.4013 Aggregation-prone
118 W H -0.4526 Soluble
119 G H 0.0000 Buried
120 Q H -1.8843 Soluble
121 G H 0.0000 Buried
122 T H -0.6168 Soluble
123 T H -0.1469 Soluble
124 L H 0.0000 Buried
125 T H -0.4507 Soluble
126 V H 0.0000 Buried
127 S H -0.9341 Soluble
128 S H -0.7145 Soluble
129 A H -0.4697 Soluble
130 S H -0.6513 Soluble
131 T H -0.6491 Soluble
132 K H -1.1775 Soluble
133 G H -1.4073 Soluble
134 P H 0.0000 Buried
135 S H -0.2772 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H 0.0000 Buried
139 L H 0.0000 Buried
140 A H -1.1636 Soluble
141 P H 0.0000 Buried
142 S H -1.1868 Soluble
143 S H -1.3027 Soluble
144 K H -1.8095 Soluble
145 G H -0.6462 Soluble
146 T H -0.4692 Soluble
147 A H -0.4992 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 -0.3585 Soluble
156 Y H 0.0000 Buried
157 F H 0.0000 Buried
158 P H -0.7140 Soluble
159 E H -1.0971 Soluble
160 P H -1.1656 Soluble
161 V H -1.0222 Soluble
162 T H -0.8696 Soluble
163 V H -0.5078 Soluble
164 S H -0.4596 Soluble
165 W H 0.0000 Buried
166 N H -0.6787 Soluble
167 S H -0.6195 Soluble
168 G H -0.5612 Soluble
169 A H -0.2293 Soluble
170 L H 0.0191 Aggregation-prone
171 T H -0.1599 Soluble
172 S H -0.1678 Soluble
173 G H -0.1799 Soluble
174 V H 0.1862 Aggregation-prone
175 H H -0.2677 Soluble
176 T H 0.0573 Aggregation-prone
177 F H 0.0000 Buried
178 P H -0.2377 Soluble
179 A H 0.1989 Aggregation-prone
180 V H 0.5867 Aggregation-prone
181 L H 1.1076 Aggregation-prone
182 Q H 0.3025 Aggregation-prone
183 S H -0.0420 Soluble
184 S H -0.1766 Soluble
185 G H 0.0412 Aggregation-prone
186 L H 0.0639 Aggregation-prone
187 Y H 0.3270 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 -0.1411 Soluble
195 V H 0.0000 Buried
196 P H -0.4959 Soluble
197 S H -0.7449 Soluble
198 S H -0.5974 Soluble
199 S H -0.5465 Soluble
200 L H -0.7213 Soluble
201 G H -0.9016 Soluble
202 T H -0.6482 Soluble
203 Q H -1.0493 Soluble
204 T H -1.0420 Soluble
205 Y H 0.0000 Buried
206 I H -1.1284 Soluble
207 C H 0.0000 Buried
208 N H -1.5438 Soluble
209 V H 0.0000 Buried
210 N H -2.5513 Soluble
211 H H 0.0000 Buried
212 K H -2.9632 Soluble
213 P H -1.7874 Soluble
214 S H -1.9146 Soluble
215 N H -2.6973 Soluble
216 T H -2.2427 Soluble
217 K H -2.8448 Soluble
218 V H -1.6082 Soluble
219 D H -2.3529 Soluble
220 K H -1.8508 Soluble
221 K H -2.4534 Soluble
222 V H 0.0000 Buried
223 E H -2.7728 Soluble
224 P H -1.8363 Soluble
225 K H -2.1427 Soluble
226 S H -1.2021 Soluble
1 D L -1.4536 Soluble
2 I L 0.0000 Buried
3 L L 0.5153 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.7302 Soluble
6 Q L -0.7067 Soluble
8 P L 0.0176 Aggregation-prone
9 A L 0.2013 Aggregation-prone
10 I L 0.7891 Aggregation-prone
11 L L 0.3708 Aggregation-prone
12 S L -0.2095 Soluble
13 V L 0.0000 Buried
14 S L -1.6501 Soluble
15 P L -1.7322 Soluble
16 G L -2.1733 Soluble
17 E L -2.8123 Soluble
18 R L -3.1277 Soluble
19 V L 0.0000 Buried
20 S L -0.9193 Soluble
21 F L 0.0000 Buried
22 S L -1.1530 Soluble
23 C L 0.0000 Buried
24 R L -2.3508 Soluble
25 A L 0.0000 Buried
26 S L -0.6260 Soluble
27 Q L -0.5737 Soluble
28 F L 0.8309 Aggregation-prone
29 V L 0.0000 Buried
36 G L 0.0325 Aggregation-prone
37 S L -0.1389 Soluble
38 S L 0.0731 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 -1.7286 Soluble
46 T L -1.3909 Soluble
47 N L -1.7749 Soluble
48 G L -1.5107 Soluble
49 S L -1.0646 Soluble
50 P L 0.0000 Buried
51 R L -0.9397 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 K L -0.8429 Soluble
56 Y L -0.2022 Soluble
57 A L 0.0000 Buried
65 S L -1.2010 Soluble
66 E L -1.9427 Soluble
67 S L -1.1119 Soluble
68 M L -0.6226 Soluble
69 S L -0.5330 Soluble
70 G L -0.4765 Soluble
71 I L -0.1916 Soluble
72 P L -0.3370 Soluble
74 S L -0.6488 Soluble
75 R L -1.3480 Soluble
76 F L 0.0000 Buried
77 S L -1.0046 Soluble
78 G L -0.7581 Soluble
79 S L -0.8689 Soluble
80 G L -1.0459 Soluble
83 S L -0.6627 Soluble
84 G L -0.3847 Soluble
85 T L -1.1587 Soluble
86 D L -2.3677 Soluble
87 F L 0.0000 Buried
88 T L -0.9577 Soluble
89 L L 0.0000 Buried
90 S L -1.0076 Soluble
91 I L 0.0000 Buried
92 N L -2.7291 Soluble
93 T L -2.5113 Soluble
94 V L 0.0000 Buried
95 E L -2.7163 Soluble
96 S L -1.7933 Soluble
97 E L -2.3885 Soluble
98 D L 0.0000 Buried
99 I L -0.6960 Soluble
100 A L 0.0000 Buried
101 D L -0.6397 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 -0.1171 Soluble
108 H L -0.1933 Soluble
109 S L -0.1976 Soluble
114 W L -0.0490 Soluble
115 P L -0.5133 Soluble
116 F L 0.0000 Buried
117 T L -0.0253 Soluble
118 F L 0.2935 Aggregation-prone
119 G L 0.0000 Buried
120 S L -0.6037 Soluble
121 G L -0.3121 Soluble
122 T L 0.0000 Buried
123 N L -0.1611 Soluble
124 L L 0.0000 Buried
125 E L 0.0000 Buried
126 V L -0.5560 Soluble
127 K L -1.3519 Soluble
128 R L -1.0230 Soluble
129 T L -0.1938 Soluble
130 V L 0.2476 Aggregation-prone
131 A L -0.0482 Soluble
132 A L -0.1545 Soluble
133 P L 0.0000 Buried
134 S L -0.1479 Soluble
135 V L 0.0000 Buried
136 F L 0.0656 Aggregation-prone
137 I L 0.0572 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5499 Soluble
140 P L 0.0000 Buried
141 S L 0.0000 Buried
142 D L -2.6945 Soluble
143 E L -2.0453 Soluble
144 Q L 0.0000 Buried
145 L L -1.9782 Soluble
146 K L -2.5564 Soluble
147 S L -1.5865 Soluble
148 G L -1.1507 Soluble
149 T L -0.9857 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 -0.3474 Soluble
158 N L -0.7111 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.1896 Soluble
162 R L -1.6247 Soluble
163 E L -2.6504 Soluble
164 A L -2.0637 Soluble
165 K L -2.3324 Soluble
166 V L -1.1801 Soluble
167 Q L -0.8038 Soluble
168 W L 0.0000 Buried
169 K L -1.0303 Soluble
170 V L 0.0000 Buried
171 D L -2.0968 Soluble
172 N L -1.7691 Soluble
173 A L -0.5608 Soluble
174 L L 0.2050 Aggregation-prone
175 Q L -0.5490 Soluble
176 S L -0.7339 Soluble
177 G L -1.2385 Soluble
178 N L -1.5051 Soluble
179 S L -1.3916 Soluble
180 Q L -1.4406 Soluble
181 E L -1.5498 Soluble
182 S L -0.4596 Soluble
183 V L -0.1180 Soluble
184 T L -0.8547 Soluble
185 E L -1.9865 Soluble
186 Q L -1.7093 Soluble
187 D L -2.0722 Soluble
188 S L -1.7669 Soluble
189 K L -2.2655 Soluble
190 D L -1.6437 Soluble
191 S L -1.6604 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 -0.7228 Soluble
199 L L 0.0000 Buried
200 T L -0.6751 Soluble
201 L L -0.9532 Soluble
202 S L -1.2343 Soluble
203 K L -2.2499 Soluble
204 A L -2.1055 Soluble
205 D L -2.9292 Soluble
206 Y L 0.0000 Buried
207 E L -3.7269 Soluble
208 K L -3.7959 Soluble
209 H L -3.2382 Soluble
210 K L -3.2786 Soluble
211 V L -1.4391 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -1.1333 Soluble
216 V L 0.0000 Buried
217 T L -1.2478 Soluble
218 H L 0.0000 Buried
219 Q L -1.6338 Soluble
220 G L -0.4578 Soluble
221 L L -0.2550 Soluble
222 S L -0.4495 Soluble
223 S L -0.4113 Soluble
224 P L -0.5775 Soluble
225 V L -0.1199 Soluble
226 T L -0.6099 Soluble
227 K L -0.7390 Soluble
228 S L -0.6192 Soluble
229 F L -0.8671 Soluble
230 N L -1.8718 Soluble
231 R L -2.5234 Soluble
232 G L -2.2242 Soluble
233 E L -2.1933 Soluble
234 C L -0.9122 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 -0.7101 2.7263 CSV PDB
4.5 -0.7596 2.716 CSV PDB
5.0 -0.8185 2.7074 CSV PDB
5.5 -0.8753 2.6984 CSV PDB
6.0 -0.917 2.6877 CSV PDB
6.5 -0.9327 2.6757 CSV PDB
7.0 -0.9212 2.6639 CSV PDB
7.5 -0.8912 2.6539 CSV PDB
8.0 -0.8511 2.6474 CSV PDB
8.5 -0.8043 2.6442 CSV PDB
9.0 -0.7513 2.643 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH