Infliximab / 6ugv

A4DAB142_6ugv_A_B | Source PDB: 6ugv | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6947
Max Score
1.7006
Min Score
-3.9849
Total Score
-301.52
Score CDR
-0.1742
Score non-CDR
-0.758

Calculation Parameters

Chain Sequence(s) EVKLEESGGGLVQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDILLTQSPAILSVSPGERVSFSCRASQFVGSSIHWYQQRTNGSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.9849
Maximum Score 1.7006
Average Score -0.6947
Total Score -301.5179

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

Index Residue Chain A4D Score Classification
1 E A -2.2257 Soluble
2 V A -1.3939 Soluble
3 K A -2.4412 Soluble
4 L A 0.0000 Buried
5 E A -2.2337 Soluble
6 E A 0.0000 Buried
7 S A -1.0570 Soluble
8 G A -1.1003 Soluble
9 G A -0.8243 Soluble
11 G A -0.7107 Soluble
12 L A -0.4608 Soluble
13 V A 0.0000 Buried
14 Q A -1.8651 Soluble
15 P A -2.0009 Soluble
16 G A -2.0431 Soluble
17 G A -1.4995 Soluble
18 S A -1.3875 Soluble
19 M A -1.1917 Soluble
20 K A -1.7521 Soluble
21 L A 0.0000 Buried
22 S A -0.6724 Soluble
23 C A 0.0000 Buried
24 V A -0.5005 Soluble
25 A A 0.0000 Buried
26 S A -1.0266 Soluble
27 G A -0.9076 Soluble
28 F A 0.3578 Aggregation-prone
29 I A 1.5726 Aggregation-prone
30 F A 0.0000 Buried
35 S A -0.9211 Soluble
36 N A -0.9123 Soluble
37 H A -0.1602 Soluble
38 W A -0.1616 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 -0.7874 Soluble
45 S A -1.5397 Soluble
46 P A -1.6835 Soluble
47 E A -3.1003 Soluble
48 K A -3.0648 Soluble
49 G A -1.6923 Soluble
50 L A 0.0000 Buried
51 E A -0.6390 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 -0.7667 Soluble
58 S A 0.0000 Buried
59 K A -2.1800 Soluble
60 S A -0.9826 Soluble
61 I A 0.0104 Aggregation-prone
62 N A -1.3129 Soluble
63 S A -1.1775 Soluble
64 A A -0.5885 Soluble
65 T A -0.4287 Soluble
66 H A -0.8251 Soluble
67 Y A -1.1329 Soluble
68 A A -1.3915 Soluble
69 E A -2.5180 Soluble
70 S A -1.5087 Soluble
71 V A 0.0000 Buried
72 K A -2.5826 Soluble
74 G A -1.7613 Soluble
75 R A 0.0000 Buried
76 F A 0.0000 Buried
77 T A -0.7209 Soluble
78 I A 0.0000 Buried
79 S A -0.3678 Soluble
80 R A -0.9267 Soluble
81 D A -1.2036 Soluble
82 D A -1.4165 Soluble
83 S A -1.4034 Soluble
84 K A -1.9681 Soluble
85 S A -0.7125 Soluble
86 A A 0.0000 Buried
87 V A 0.0000 Buried
88 Y A -0.2742 Soluble
89 L A 0.0000 Buried
90 Q A -0.9805 Soluble
91 M A 0.0000 Buried
92 T A -1.5750 Soluble
93 D A -2.5410 Soluble
94 L A 0.0000 Buried
95 R A -2.5547 Soluble
96 T A -1.8103 Soluble
97 E A -2.7044 Soluble
98 D A 0.0000 Buried
99 T A -0.9825 Soluble
100 G A 0.0000 Buried
101 V A 0.2154 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 1.2796 Aggregation-prone
109 Y A 0.9327 Aggregation-prone
110 G A 0.4754 Aggregation-prone
113 S A 0.0000 Buried
114 T A 0.0000 Buried
115 Y A 0.0000 Buried
116 D A 0.0930 Aggregation-prone
117 Y A 0.2880 Aggregation-prone
118 W A -0.5710 Soluble
119 G A 0.0000 Buried
120 Q A -1.9598 Soluble
121 G A 0.0000 Buried
122 T A -0.5851 Soluble
123 T A -0.2089 Soluble
124 L A 0.0000 Buried
125 T A -0.6040 Soluble
126 V A 0.0000 Buried
127 S A -1.0133 Soluble
128 S A -0.7629 Soluble
129 A A -0.5155 Soluble
130 S A -0.6155 Soluble
131 T A -0.7643 Soluble
132 K A -1.1988 Soluble
133 G A -1.3188 Soluble
134 P A 0.0000 Buried
135 S A -0.2941 Soluble
136 V A 0.0000 Buried
137 F A -0.5063 Soluble
138 P A -0.9057 Soluble
139 L A 0.0000 Buried
140 A A -1.2253 Soluble
141 P A 0.0000 Buried
142 S A -0.9948 Soluble
143 S A -0.6992 Soluble
144 K A -0.7263 Soluble
145 S A 0.0000 Buried
146 T A -0.5038 Soluble
147 S A -0.5749 Soluble
148 G A -0.8149 Soluble
149 G A -0.8672 Soluble
150 T A -0.5865 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 0.0000 Buried
159 D A -0.2976 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A 0.0000 Buried
163 E A -0.5107 Soluble
164 P A -0.6926 Soluble
165 V A -0.5700 Soluble
166 T A -0.4695 Soluble
167 V A -0.2970 Soluble
168 S A -0.3588 Soluble
169 W A 0.0000 Buried
170 N A -0.7338 Soluble
171 S A -0.6655 Soluble
172 G A -0.5124 Soluble
173 A A -0.2317 Soluble
174 L A 0.0357 Aggregation-prone
175 T A -0.1507 Soluble
176 S A -0.1517 Soluble
177 G A -0.1653 Soluble
178 V A 0.1842 Aggregation-prone
179 H A -0.2892 Soluble
180 T A 0.0375 Aggregation-prone
181 F A 0.0000 Buried
182 P A -0.1907 Soluble
183 A A 0.3735 Aggregation-prone
184 V A 0.8172 Aggregation-prone
185 L A 1.5188 Aggregation-prone
186 Q A 0.4926 Aggregation-prone
187 S A 0.0001 Aggregation-prone
188 S A -0.1790 Soluble
189 G A 0.0793 Aggregation-prone
190 L A 0.1957 Aggregation-prone
191 Y A 0.5685 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 -0.1802 Soluble
199 V A 0.0000 Buried
200 P A -0.5310 Soluble
201 S A -0.5706 Soluble
202 S A -0.5566 Soluble
203 S A -0.5580 Soluble
204 L A -0.8886 Soluble
205 G A -1.2694 Soluble
206 T A -0.7242 Soluble
207 Q A -1.2819 Soluble
208 T A -1.0841 Soluble
209 Y A 0.0000 Buried
210 I A -1.1101 Soluble
211 C A 0.0000 Buried
212 N A -1.4176 Soluble
213 V A 0.0000 Buried
214 N A -1.7457 Soluble
215 H A 0.0000 Buried
216 K A -2.7076 Soluble
217 P A -1.5725 Soluble
218 S A -1.7878 Soluble
219 N A -2.5443 Soluble
220 T A -1.9911 Soluble
221 K A -2.6144 Soluble
222 V A -1.7153 Soluble
223 D A -2.4827 Soluble
224 K A -1.9104 Soluble
225 K A -2.2820 Soluble
226 V A 0.0000 Buried
227 E A -2.7648 Soluble
228 P A -1.8701 Soluble
229 K A -2.4756 Soluble
1 D B -1.4046 Soluble
2 I B -0.0493 Soluble
3 L B 0.6341 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.5803 Soluble
6 Q B 0.0000 Buried
7 S B -0.2834 Soluble
8 P B 0.2874 Aggregation-prone
9 A B 0.6340 Aggregation-prone
10 I B 1.7006 Aggregation-prone
11 L B 0.8637 Aggregation-prone
12 S B 0.1454 Aggregation-prone
13 V B -1.1180 Soluble
14 S B -1.5993 Soluble
15 P B -1.9137 Soluble
16 G B -2.1904 Soluble
17 E B -3.0202 Soluble
18 R B -3.3078 Soluble
19 V B 0.0000 Buried
20 S B -0.7415 Soluble
21 F B 0.0000 Buried
22 S B -0.9503 Soluble
23 C B 0.0000 Buried
24 R B -2.2959 Soluble
25 A B 0.0000 Buried
26 S B -0.6556 Soluble
27 Q B -0.7735 Soluble
28 F B 0.7032 Aggregation-prone
29 V B 0.0000 Buried
36 G B -0.0268 Soluble
37 S B -0.1150 Soluble
38 S B 0.0000 Buried
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 -1.9787 Soluble
46 T B -1.7071 Soluble
47 N B -1.9650 Soluble
48 G B -1.4792 Soluble
49 S B -1.0346 Soluble
50 P B 0.0000 Buried
51 R B -0.8460 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 K B -0.6836 Soluble
56 Y B 0.0051 Aggregation-prone
57 A B 0.0000 Buried
65 S B -1.1374 Soluble
66 E B -1.9061 Soluble
67 S B -1.0961 Soluble
68 M B -0.6290 Soluble
69 S B -0.5445 Soluble
70 G B -0.4786 Soluble
71 I B -0.2843 Soluble
72 P B -0.3382 Soluble
74 S B -0.6309 Soluble
75 R B -1.2380 Soluble
76 F B 0.0000 Buried
77 S B -0.9784 Soluble
78 G B -0.7135 Soluble
79 S B -0.8317 Soluble
80 G B -1.0510 Soluble
83 S B -0.6875 Soluble
84 G B -0.4628 Soluble
85 T B -1.1972 Soluble
86 D B -2.3149 Soluble
87 F B 0.0000 Buried
88 T B -0.8821 Soluble
89 L B 0.0000 Buried
90 S B -0.9797 Soluble
91 I B 0.0000 Buried
92 N B -2.6030 Soluble
93 T B -2.4103 Soluble
94 V B 0.0000 Buried
95 E B -2.7005 Soluble
96 S B -2.2228 Soluble
97 E B -2.3063 Soluble
98 D B 0.0000 Buried
99 I B 0.0000 Buried
100 A B 0.0000 Buried
101 D B -0.7611 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 -0.1804 Soluble
108 H B -0.4588 Soluble
109 S B -0.3871 Soluble
114 W B 0.0609 Aggregation-prone
115 P B -0.4514 Soluble
116 F B 0.0000 Buried
117 T B 0.0634 Aggregation-prone
118 F B 0.3532 Aggregation-prone
119 G B 0.0000 Buried
120 S B -0.7357 Soluble
121 G B -0.2120 Soluble
122 T B 0.0000 Buried
123 N B -0.2049 Soluble
124 L B 0.0000 Buried
125 E B -0.5771 Soluble
126 V B 0.0000 Buried
127 K B -1.3911 Soluble
128 R B -0.9864 Soluble
129 T B -0.0328 Soluble
130 V B 0.4715 Aggregation-prone
131 A B 0.0126 Aggregation-prone
132 A B -0.0937 Soluble
133 P B 0.0000 Buried
134 S B -0.2101 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 -0.7531 Soluble
140 P B -0.6775 Soluble
141 S B -1.5117 Soluble
142 D B -2.5636 Soluble
143 E B -2.2667 Soluble
144 Q B 0.0000 Buried
145 L B -1.8327 Soluble
146 K B -2.5940 Soluble
147 S B -1.6078 Soluble
148 G B -1.1695 Soluble
149 T B -1.0857 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 -0.3175 Soluble
158 N B -0.8577 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.5903 Soluble
162 R B -2.8181 Soluble
163 E B -3.0992 Soluble
164 A B -2.2923 Soluble
165 K B -2.5687 Soluble
166 V B 0.0000 Buried
167 Q B -0.9467 Soluble
168 W B 0.0000 Buried
169 K B -0.9060 Soluble
170 V B 0.0000 Buried
171 D B -2.0356 Soluble
172 N B -1.7217 Soluble
173 A B -0.5634 Soluble
174 L B 0.0731 Aggregation-prone
175 Q B -0.6063 Soluble
176 S B -0.8246 Soluble
177 G B -1.2253 Soluble
178 N B -1.5435 Soluble
179 S B -1.3118 Soluble
180 Q B -0.9877 Soluble
181 E B -1.2711 Soluble
182 S B -0.5686 Soluble
183 V B -0.5549 Soluble
184 T B -1.0094 Soluble
185 E B -2.3189 Soluble
186 Q B 0.0000 Buried
187 D B -2.1380 Soluble
188 S B -2.3298 Soluble
189 K B -2.6055 Soluble
190 D B -1.9035 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 0.0000 Buried
199 L B 0.0000 Buried
200 T B -0.7409 Soluble
201 L B 0.0000 Buried
202 S B -1.3553 Soluble
203 K B -2.3557 Soluble
204 A B -2.2221 Soluble
205 D B -3.2348 Soluble
206 Y B 0.0000 Buried
207 E B -3.9849 Soluble
208 K B -3.9305 Soluble
209 H B -3.3404 Soluble
210 K B -3.1837 Soluble
211 V B -1.5228 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.8520 Soluble
216 V B 0.0000 Buried
217 T B -1.2559 Soluble
218 H B 0.0000 Buried
219 Q B -1.7402 Soluble
220 G B -0.4215 Soluble
221 L B -0.2317 Soluble
222 S B -0.4693 Soluble
223 S B -0.4328 Soluble
224 P B -0.5841 Soluble
225 V B 0.0052 Aggregation-prone
226 T B -0.4064 Soluble
227 K B -0.5180 Soluble
228 S B -0.5497 Soluble
229 F B 0.0000 Buried
230 N B -2.0940 Soluble
231 R B -2.6474 Soluble
232 G B -2.2511 Soluble
233 E B -2.5529 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.7012 3.2485 CSV PDB
4.5 -0.7498 3.229 CSV PDB
5.0 -0.8084 3.206 CSV PDB
5.5 -0.8648 3.1819 CSV PDB
6.0 -0.9053 3.1585 CSV PDB
6.5 -0.9197 3.1375 CSV PDB
7.0 -0.9077 3.1192 CSV PDB
7.5 -0.8785 3.1031 CSV PDB
8.0 -0.8401 3.0886 CSV PDB
8.5 -0.7956 3.0762 CSV PDB
9.0 -0.7454 3.0674 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH