Infliximab / 6ugu

A4DAB142_6ugu_H_L | Source PDB: 6ugu | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6949
Max Score
1.7001
Min Score
-3.4642
Total Score
-298.79
Score CDR
-0.1354
Score non-CDR
-0.7635

Calculation Parameters

Chain Sequence(s) EVKLEESGGGLVQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDILLTQSPAILSVSPGERVSFSCRASQFVGSSIHWYQQRTNGSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.4642
Maximum Score 1.7001
Average Score -0.6949
Total Score -298.7892

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

Index Residue Chain A4D Score Classification
1 E H -2.0898 Soluble
2 V H -1.2039 Soluble
3 K H -1.6211 Soluble
4 L H 0.0000 Buried
5 E H -1.2795 Soluble
6 E H -0.8974 Soluble
7 S H -1.0026 Soluble
8 G H -1.0312 Soluble
9 G H -0.6293 Soluble
11 G H -0.1494 Soluble
12 L H 0.4035 Aggregation-prone
13 V H -0.3831 Soluble
14 Q H -1.6516 Soluble
15 P H -1.8667 Soluble
16 G H -1.9468 Soluble
17 G H -1.3820 Soluble
18 S H -1.3933 Soluble
19 M H -1.0709 Soluble
20 K H -1.9050 Soluble
21 L H 0.0000 Buried
22 S H -0.6115 Soluble
23 C H 0.0000 Buried
24 V H -0.1817 Soluble
25 A H 0.0000 Buried
26 S H -0.6664 Soluble
27 G H -0.7190 Soluble
28 F H 0.5043 Aggregation-prone
29 I H 1.7001 Aggregation-prone
30 F H 0.0000 Buried
35 S H -0.5617 Soluble
36 N H -0.4789 Soluble
37 H H 0.0000 Buried
38 W H 0.0230 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 -0.8271 Soluble
45 S H -1.5407 Soluble
46 P H -1.6476 Soluble
47 E H -3.0118 Soluble
48 K H -2.9010 Soluble
49 G H -1.6397 Soluble
50 L H 0.0000 Buried
51 E H -0.7464 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 -0.7396 Soluble
58 S H 0.0000 Buried
59 K H -2.1887 Soluble
60 S H -1.0525 Soluble
61 I H -0.2226 Soluble
62 N H -1.4735 Soluble
63 S H -1.3511 Soluble
64 A H -0.6464 Soluble
65 T H -0.4020 Soluble
66 H H -0.7246 Soluble
67 Y H -1.1037 Soluble
68 A H -1.4131 Soluble
69 E H -2.5154 Soluble
70 S H -1.7192 Soluble
71 V H 0.0000 Buried
72 K H -2.5798 Soluble
74 G H -1.7625 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -0.7149 Soluble
78 I H 0.0000 Buried
79 S H -0.3557 Soluble
80 R H -0.9660 Soluble
81 D H -1.3177 Soluble
82 D H -1.4519 Soluble
83 S H -1.4106 Soluble
84 K H -2.0011 Soluble
85 S H -0.7553 Soluble
86 A H 0.0000 Buried
87 V H 0.0000 Buried
88 Y H -0.3184 Soluble
89 L H 0.0000 Buried
90 Q H -0.9853 Soluble
91 M H 0.0000 Buried
92 T H -1.5959 Soluble
93 D H -2.5300 Soluble
94 L H 0.0000 Buried
95 R H -2.4955 Soluble
96 T H -1.7797 Soluble
97 E H -2.6775 Soluble
98 D H 0.0000 Buried
99 T H -0.7908 Soluble
100 G H -0.7484 Soluble
101 V H 0.0936 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 1.3777 Aggregation-prone
109 Y H 1.3785 Aggregation-prone
110 G H 0.6605 Aggregation-prone
113 S H 0.3762 Aggregation-prone
114 T H 0.0000 Buried
115 Y H 0.0000 Buried
116 D H -0.0214 Soluble
117 Y H 0.1750 Aggregation-prone
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.7925 Soluble
121 G H -1.0012 Soluble
122 T H -0.6117 Soluble
123 T H -0.1819 Soluble
124 L H 0.0000 Buried
125 T H -0.4379 Soluble
126 V H 0.0000 Buried
127 S H -0.8963 Soluble
128 S H -0.7026 Soluble
129 A H -0.4663 Soluble
130 S H -0.6478 Soluble
131 T H -0.6371 Soluble
132 K H -1.1594 Soluble
133 G H -1.3557 Soluble
134 P H 0.0000 Buried
135 S H -0.3607 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2090 Soluble
139 L H 0.0000 Buried
140 A H -1.2920 Soluble
141 P H 0.0000 Buried
142 S H -1.2503 Soluble
143 S H -1.3522 Soluble
144 K H -1.8841 Soluble
145 G H -0.6483 Soluble
146 T H -0.4604 Soluble
147 A H -0.4929 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 -0.3952 Soluble
156 Y H 0.0000 Buried
157 F H 0.0000 Buried
158 P H -0.7348 Soluble
159 E H -1.0864 Soluble
160 P H -1.1235 Soluble
161 V H -0.9023 Soluble
162 T H -0.7106 Soluble
163 V H -0.3993 Soluble
164 S H -0.3968 Soluble
165 W H 0.0000 Buried
166 N H -0.8075 Soluble
167 S H -0.6287 Soluble
168 G H -0.4805 Soluble
169 A H -0.2092 Soluble
170 L H 0.0406 Aggregation-prone
171 T H -0.1427 Soluble
172 S H -0.1583 Soluble
173 G H -0.1558 Soluble
174 V H 0.2012 Aggregation-prone
175 H H -0.2881 Soluble
176 T H 0.0336 Aggregation-prone
177 F H 0.0000 Buried
178 P H -0.3079 Soluble
179 A H 0.2771 Aggregation-prone
180 V H 0.4089 Aggregation-prone
181 L H 0.9642 Aggregation-prone
182 Q H 0.2203 Aggregation-prone
183 S H -0.0801 Soluble
184 S H -0.2056 Soluble
185 G H -0.0012 Soluble
186 L H 0.0127 Aggregation-prone
187 Y H 0.2524 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 -0.1155 Soluble
195 V H 0.0000 Buried
196 P H -0.4839 Soluble
197 S H -0.7324 Soluble
198 S H -0.5846 Soluble
199 S H -0.5838 Soluble
200 L H -0.7167 Soluble
201 G H -0.9096 Soluble
202 T H -0.6742 Soluble
203 Q H -1.1290 Soluble
204 T H -1.0879 Soluble
205 Y H 0.0000 Buried
206 I H -1.3443 Soluble
207 C H 0.0000 Buried
208 N H -1.5317 Soluble
209 V H 0.0000 Buried
210 N H -2.1252 Soluble
211 H H 0.0000 Buried
212 K H -2.8305 Soluble
213 P H -1.7151 Soluble
214 S H -1.8494 Soluble
215 N H -2.5888 Soluble
216 T H -2.1043 Soluble
217 K H -2.7127 Soluble
218 V H -1.6544 Soluble
219 D H -2.5953 Soluble
220 K H -2.1117 Soluble
221 K H -2.5909 Soluble
222 V H 0.0000 Buried
223 E H -2.8874 Soluble
224 P H -2.0043 Soluble
225 K H -2.3349 Soluble
1 D L -1.4542 Soluble
2 I L 0.0000 Buried
3 L L 0.5481 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.6104 Soluble
6 Q L -0.5789 Soluble
8 P L 0.0633 Aggregation-prone
9 A L 0.2652 Aggregation-prone
10 I L 0.8843 Aggregation-prone
11 L L 0.4252 Aggregation-prone
12 S L -0.2540 Soluble
13 V L 0.0000 Buried
14 S L -1.4076 Soluble
15 P L -1.5003 Soluble
16 G L -1.8000 Soluble
17 E L -2.2522 Soluble
18 R L -2.8391 Soluble
19 V L 0.0000 Buried
20 S L -0.8350 Soluble
21 F L 0.0000 Buried
22 S L -0.8977 Soluble
23 C L 0.0000 Buried
24 R L -2.0413 Soluble
25 A L 0.0000 Buried
26 S L -0.5436 Soluble
27 Q L -0.4626 Soluble
28 F L 0.9163 Aggregation-prone
29 V L 0.0000 Buried
36 G L 0.0551 Aggregation-prone
37 S L -0.1861 Soluble
38 S L -0.0263 Soluble
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 -1.4599 Soluble
45 R L -2.1706 Soluble
46 T L -1.5963 Soluble
47 N L -1.9024 Soluble
48 G L -1.7263 Soluble
49 S L -1.3132 Soluble
50 P L 0.0000 Buried
51 R L -1.3348 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 K L -1.1334 Soluble
56 Y L -0.5055 Soluble
57 A L 0.0000 Buried
65 S L -1.3085 Soluble
66 E L -2.1129 Soluble
67 S L -1.2657 Soluble
68 M L -0.7098 Soluble
69 S L -0.5576 Soluble
70 G L -0.4818 Soluble
71 I L -0.3115 Soluble
72 P L -0.3256 Soluble
74 S L -0.6150 Soluble
75 R L -1.1983 Soluble
76 F L 0.0000 Buried
77 S L -0.9861 Soluble
78 G L -0.8055 Soluble
79 S L -0.8231 Soluble
80 G L -0.9343 Soluble
83 S L -0.5854 Soluble
84 G L -0.3064 Soluble
85 T L -0.9670 Soluble
86 D L -1.9765 Soluble
87 F L 0.0000 Buried
88 T L -0.8092 Soluble
89 L L 0.0000 Buried
90 S L -0.9598 Soluble
91 I L 0.0000 Buried
92 N L -2.4557 Soluble
93 T L -2.1591 Soluble
94 V L 0.0000 Buried
95 E L -2.1714 Soluble
96 S L -1.5188 Soluble
97 E L -2.1689 Soluble
98 D L 0.0000 Buried
99 I L -0.6637 Soluble
100 A L 0.0000 Buried
101 D L -0.7391 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 -0.1404 Soluble
108 H L -0.1920 Soluble
109 S L -0.1992 Soluble
114 W L -0.0760 Soluble
115 P L -0.5426 Soluble
116 F L 0.0000 Buried
117 T L -0.0316 Soluble
118 F L 0.1263 Aggregation-prone
119 G L 0.0000 Buried
120 S L -0.7440 Soluble
121 G L -0.2863 Soluble
122 T L 0.0000 Buried
123 N L -0.1607 Soluble
124 L L 0.0000 Buried
125 E L 0.0000 Buried
126 V L -0.5989 Soluble
127 K L -1.3564 Soluble
128 R L -1.1166 Soluble
129 T L -0.1774 Soluble
130 V L 0.3807 Aggregation-prone
131 A L 0.0461 Aggregation-prone
132 A L -0.1229 Soluble
133 P L 0.0000 Buried
134 S L -0.1163 Soluble
135 V L 0.0000 Buried
136 F L 0.1227 Aggregation-prone
137 I L 0.0674 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.6773 Soluble
140 P L 0.0000 Buried
141 S L -1.3535 Soluble
142 D L -2.3023 Soluble
143 E L -2.1720 Soluble
144 Q L 0.0000 Buried
145 L L -1.8672 Soluble
146 K L -2.5452 Soluble
147 S L -1.6352 Soluble
148 G L -1.2374 Soluble
149 T L -0.9877 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 -0.7202 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.1860 Soluble
162 R L -1.5058 Soluble
163 E L -2.6601 Soluble
164 A L -2.0914 Soluble
165 K L -2.3113 Soluble
166 V L -1.3790 Soluble
167 Q L -0.8328 Soluble
168 W L 0.0000 Buried
169 K L -0.9118 Soluble
170 V L 0.0000 Buried
171 D L -2.0219 Soluble
172 N L -1.5380 Soluble
173 A L -0.4894 Soluble
174 L L 0.2478 Aggregation-prone
175 Q L -0.3438 Soluble
176 S L -0.5027 Soluble
177 G L -0.8934 Soluble
178 N L -0.7908 Soluble
179 S L -1.0986 Soluble
180 Q L -1.3770 Soluble
181 E L -1.6609 Soluble
182 S L -0.7947 Soluble
183 V L -0.3968 Soluble
184 T L -0.9761 Soluble
185 E L -2.0379 Soluble
186 Q L -1.7438 Soluble
187 D L -2.0478 Soluble
188 S L -1.7538 Soluble
189 K L -2.2519 Soluble
190 D L -1.6753 Soluble
191 S L -1.6865 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 -0.6229 Soluble
199 L L 0.0000 Buried
200 T L -0.4282 Soluble
201 L L -0.6279 Soluble
202 S L -1.0043 Soluble
203 K L -1.9361 Soluble
204 A L -1.7529 Soluble
205 D L -2.3351 Soluble
206 Y L 0.0000 Buried
207 E L -3.2045 Soluble
208 K L -3.4642 Soluble
209 H L -3.1138 Soluble
210 K L -3.1125 Soluble
211 V L -1.4427 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -1.0155 Soluble
216 V L 0.0000 Buried
217 T L -1.2541 Soluble
218 H L 0.0000 Buried
219 Q L -1.6320 Soluble
220 G L -0.4303 Soluble
221 L L -0.2604 Soluble
222 S L -0.4479 Soluble
223 S L -0.4009 Soluble
224 P L -0.5226 Soluble
225 V L -0.0692 Soluble
226 T L -0.5399 Soluble
227 K L -0.6824 Soluble
228 S L -0.5446 Soluble
229 F L -0.8673 Soluble
230 N L -1.8811 Soluble
231 R L -2.4818 Soluble
232 G L -2.1034 Soluble
233 E L -2.1777 Soluble
234 C L -0.7167 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
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 -0.7296 2.7274 CSV PDB
4.5 -0.7757 2.7194 CSV PDB
5.0 -0.8309 2.7112 CSV PDB
5.5 -0.8839 2.7031 CSV PDB
6.0 -0.9212 2.6949 CSV PDB
6.5 -0.9318 2.6869 CSV PDB
7.0 -0.9151 2.6793 CSV PDB
7.5 -0.8799 2.6726 CSV PDB
8.0 -0.8349 2.6677 CSV PDB
8.5 -0.7834 2.6651 CSV PDB
9.0 -0.7262 2.664 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH