Infliximab / 4g3y

A4DAB142_4g3y_H_L | Source PDB: 4g3y | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6951
Max Score
1.6621
Min Score
-3.6579
Total Score
-301.68
Score CDR
-0.1969
Score non-CDR
-0.7556

Calculation Parameters

Chain Sequence(s) EVKLEESGGGLVQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDILLTQSPAILSVSPGERVSFSCRASQFVGSSIHWYQQRTNGSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.6579
Maximum Score 1.6621
Average Score -0.6951
Total Score -301.6768

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

Index Residue Chain A4D Score Classification
1 E H -2.3219 Soluble
2 V H -1.6390 Soluble
3 K H -2.7065 Soluble
4 L H 0.0000 Buried
5 E H -2.3559 Soluble
6 E H 0.0000 Buried
7 S H -1.0476 Soluble
8 G H -0.7640 Soluble
9 G H 0.0000 Buried
11 G H -0.3748 Soluble
12 L H -0.2462 Soluble
13 V H -0.6363 Soluble
14 Q H -1.7780 Soluble
15 P H -1.9180 Soluble
16 G H -2.0391 Soluble
17 G H -1.4864 Soluble
18 S H -1.3659 Soluble
19 M H -1.0837 Soluble
20 K H -1.8017 Soluble
21 L H 0.0000 Buried
22 S H -0.7617 Soluble
23 C H 0.0000 Buried
24 V H -0.7516 Soluble
25 A H 0.0000 Buried
26 S H -1.1233 Soluble
27 G H -0.8824 Soluble
28 F H 0.3737 Aggregation-prone
29 I H 1.6621 Aggregation-prone
30 F H 0.0000 Buried
35 S H -0.7982 Soluble
36 N H -0.6367 Soluble
37 H H 0.0000 Buried
38 W H -0.0899 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 -0.7977 Soluble
45 S H -1.5539 Soluble
46 P H -1.6924 Soluble
47 E H -3.0664 Soluble
48 K H -3.0613 Soluble
49 G H -1.6530 Soluble
50 L H 0.0000 Buried
51 E H -0.6186 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 -0.6729 Soluble
58 S H -1.1600 Soluble
59 K H -2.1079 Soluble
60 S H -0.8887 Soluble
61 I H 0.2161 Aggregation-prone
62 N H -1.2744 Soluble
63 S H -1.0416 Soluble
64 A H -0.4686 Soluble
65 T H -0.2278 Soluble
66 H H -0.7137 Soluble
67 Y H -0.9815 Soluble
68 A H -1.3487 Soluble
69 E H -2.4836 Soluble
70 S H -1.7224 Soluble
71 V H 0.0000 Buried
72 K H -2.5376 Soluble
74 G H -1.7357 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -0.7546 Soluble
78 I H 0.0000 Buried
79 S H -0.5061 Soluble
80 R H -1.1543 Soluble
81 D H -1.5710 Soluble
82 D H -1.6598 Soluble
83 S H -1.5336 Soluble
84 K H -2.1100 Soluble
85 S H -0.8710 Soluble
86 A H 0.0000 Buried
87 V H 0.0000 Buried
88 Y H -0.5053 Soluble
89 L H 0.0000 Buried
90 Q H -1.2120 Soluble
91 M H 0.0000 Buried
92 T H -1.6722 Soluble
93 D H -2.5671 Soluble
94 L H 0.0000 Buried
95 R H -2.4638 Soluble
96 T H -1.7531 Soluble
97 E H -2.6754 Soluble
98 D H 0.0000 Buried
99 T H -0.7926 Soluble
100 G H -0.6426 Soluble
101 V H 0.2334 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 1.0804 Aggregation-prone
109 Y H 0.9311 Aggregation-prone
110 G H 0.4399 Aggregation-prone
113 S H 0.0000 Buried
114 T H 0.0000 Buried
115 Y H 0.0000 Buried
116 D H 0.1262 Aggregation-prone
117 Y H -0.2972 Soluble
118 W H -0.7380 Soluble
119 G H 0.0000 Buried
120 Q H -1.9287 Soluble
121 G H -1.0242 Soluble
122 T H -0.5113 Soluble
123 T H -0.0164 Soluble
124 L H 0.0000 Buried
125 T H -0.5113 Soluble
126 V H 0.0000 Buried
127 S H -0.9635 Soluble
128 S H -0.7172 Soluble
129 A H -0.4377 Soluble
130 S H -0.5932 Soluble
131 T H -0.9132 Soluble
132 K H -1.2302 Soluble
133 G H -1.3917 Soluble
134 P H 0.0000 Buried
135 S H -0.4814 Soluble
136 V H 0.0000 Buried
137 F H -0.7351 Soluble
138 P H -0.9731 Soluble
139 L H 0.0000 Buried
140 A H -0.8167 Soluble
141 P H 0.0000 Buried
142 S H -0.8618 Soluble
143 S H -1.1650 Soluble
144 K H -1.9334 Soluble
145 S H -1.3084 Soluble
146 T H 0.0000 Buried
147 S H -0.9728 Soluble
148 G H -1.2764 Soluble
149 G H -0.9719 Soluble
150 T H -0.6734 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.3635 Soluble
160 Y H 0.0000 Buried
161 F H -0.2117 Soluble
162 P H 0.0000 Buried
163 E H -0.4612 Soluble
164 P H -0.7140 Soluble
165 V H -0.7035 Soluble
166 T H -0.6629 Soluble
167 V H -0.4619 Soluble
168 S H -0.4440 Soluble
169 W H 0.0000 Buried
170 N H -0.7026 Soluble
171 S H -0.6872 Soluble
172 G H -0.5379 Soluble
173 A H -0.2488 Soluble
174 L H 0.0235 Aggregation-prone
175 T H -0.1426 Soluble
176 S H -0.1362 Soluble
177 G H -0.0700 Soluble
178 V H 0.2334 Aggregation-prone
179 H H -0.2052 Soluble
180 T H 0.1054 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.1338 Soluble
183 A H 0.4644 Aggregation-prone
184 V H 0.5097 Aggregation-prone
185 L H 1.2457 Aggregation-prone
186 Q H 0.2765 Aggregation-prone
187 S H -0.0689 Soluble
188 S H -0.2480 Soluble
189 G H -0.0065 Soluble
190 L H 0.2076 Aggregation-prone
191 Y H 0.4948 Aggregation-prone
192 S H 0.2457 Aggregation-prone
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.0916 Soluble
199 V H 0.0000 Buried
200 P H -0.6909 Soluble
201 S H -0.7602 Soluble
202 S H -0.6889 Soluble
203 S H -0.6821 Soluble
204 L H -0.8621 Soluble
205 G H -1.0562 Soluble
206 T H -0.8380 Soluble
207 Q H -1.4519 Soluble
208 T H -1.1448 Soluble
209 Y H 0.0000 Buried
210 I H -1.2360 Soluble
211 C H 0.0000 Buried
212 N H -1.5085 Soluble
213 V H 0.0000 Buried
214 N H -2.1114 Soluble
215 H H 0.0000 Buried
216 K H -2.7445 Soluble
217 P H -1.5545 Soluble
218 S H -1.8721 Soluble
219 N H -2.6005 Soluble
220 T H -2.1288 Soluble
221 K H -2.7723 Soluble
222 V H -1.7083 Soluble
223 D H -2.5144 Soluble
224 K H -2.0651 Soluble
225 K H -2.3515 Soluble
226 V H 0.0000 Buried
227 E H -2.4304 Soluble
228 P H -1.2057 Soluble
1 D L -1.5504 Soluble
2 I L 0.0000 Buried
3 L L 0.7679 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.1452 Soluble
6 Q L 0.0000 Buried
7 S L -0.0039 Soluble
8 P L 0.2438 Aggregation-prone
9 A L 0.5852 Aggregation-prone
10 I L 1.6161 Aggregation-prone
11 L L 0.8393 Aggregation-prone
12 S L 0.0953 Aggregation-prone
13 V L 0.0000 Buried
14 S L -1.7368 Soluble
15 P L -2.1124 Soluble
16 G L -2.3404 Soluble
17 E L -3.3886 Soluble
18 R L -3.4954 Soluble
19 V L 0.0000 Buried
20 S L -0.6762 Soluble
21 F L 0.0000 Buried
22 S L -0.6247 Soluble
23 C L 0.0000 Buried
24 R L -1.0133 Soluble
25 A L 0.0000 Buried
26 S L -0.4245 Soluble
27 Q L -0.6308 Soluble
28 F L 0.8176 Aggregation-prone
29 V L 0.0000 Buried
36 G L -0.0783 Soluble
37 S L -0.2047 Soluble
38 S L 0.0157 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 -1.3133 Soluble
45 R L -2.0662 Soluble
46 T L -1.6934 Soluble
47 N L -1.9838 Soluble
48 G L -1.5815 Soluble
49 S L -1.2042 Soluble
50 P L 0.0000 Buried
51 R L -1.2956 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 K L -0.7598 Soluble
56 Y L -0.1595 Soluble
57 A L 0.0000 Buried
65 S L -1.2127 Soluble
66 E L -1.9550 Soluble
67 S L -1.1042 Soluble
68 M L -0.5555 Soluble
69 S L -0.5191 Soluble
70 G L -0.4569 Soluble
71 I L -0.2924 Soluble
72 P L -0.3192 Soluble
74 S L -0.5725 Soluble
75 R L -0.9899 Soluble
76 F L 0.0000 Buried
77 S L -0.9190 Soluble
78 G L -0.7343 Soluble
79 S L -0.8911 Soluble
80 G L -0.9916 Soluble
83 S L -0.6379 Soluble
84 G L -0.3696 Soluble
85 T L -0.9409 Soluble
86 D L -2.0855 Soluble
87 F L 0.0000 Buried
88 T L -0.7223 Soluble
89 L L 0.0000 Buried
90 S L -0.9032 Soluble
91 I L 0.0000 Buried
92 N L -2.8097 Soluble
93 T L -2.3451 Soluble
94 V L 0.0000 Buried
95 E L -2.7726 Soluble
96 S L -2.4237 Soluble
97 E L -2.7930 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 D L -0.6050 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 -0.1986 Soluble
108 H L -0.6546 Soluble
109 S L -0.4823 Soluble
114 W L -0.1400 Soluble
115 P L -0.5846 Soluble
116 F L 0.0000 Buried
117 T L -0.0267 Soluble
118 F L 0.3537 Aggregation-prone
119 G L 0.0000 Buried
120 S L -0.6523 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 N L -0.2725 Soluble
124 L L 0.0000 Buried
125 E L 0.0000 Buried
126 V L 0.0000 Buried
127 K L -1.3289 Soluble
128 R L -1.1512 Soluble
129 T L -0.1979 Soluble
130 V L 0.3978 Aggregation-prone
131 A L -0.0503 Soluble
132 A L -0.0733 Soluble
133 P L 0.0000 Buried
134 S L -0.1661 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.7097 Soluble
140 P L 0.0000 Buried
141 S L -1.4564 Soluble
142 D L -2.8529 Soluble
143 E L -2.6443 Soluble
144 Q L 0.0000 Buried
145 L L -2.2251 Soluble
146 K L -2.7404 Soluble
147 S L -1.6831 Soluble
148 G L -1.4106 Soluble
149 T L -1.2565 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 -0.6739 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.4463 Soluble
162 R L -2.3910 Soluble
163 E L -2.9298 Soluble
164 A L -2.1801 Soluble
165 K L -2.4674 Soluble
166 V L -1.0340 Soluble
167 Q L -0.5783 Soluble
168 W L 0.0000 Buried
169 K L -0.5771 Soluble
170 V L 0.0000 Buried
171 D L -1.8141 Soluble
172 N L -1.5164 Soluble
173 A L -0.3304 Soluble
174 L L 0.6786 Aggregation-prone
175 Q L -0.1939 Soluble
176 S L -0.4057 Soluble
177 G L -0.8922 Soluble
178 N L -0.7668 Soluble
179 S L -1.0589 Soluble
180 Q L -1.3675 Soluble
181 E L -1.5824 Soluble
182 S L -0.4832 Soluble
183 V L 0.0926 Aggregation-prone
184 T L -0.7371 Soluble
185 E L -2.1575 Soluble
186 Q L 0.0000 Buried
187 D L -2.1005 Soluble
188 S L -2.4803 Soluble
189 K L -2.7490 Soluble
190 D L -1.9951 Soluble
191 S L 0.0000 Buried
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 -0.6493 Soluble
199 L L 0.0000 Buried
200 T L -0.2970 Soluble
201 L L -0.7180 Soluble
202 S L -1.1652 Soluble
203 K L -2.1071 Soluble
204 A L -2.0816 Soluble
205 D L -3.0406 Soluble
206 Y L 0.0000 Buried
207 E L -3.3921 Soluble
208 K L -3.6579 Soluble
209 H L -3.0612 Soluble
210 K L -2.8570 Soluble
211 V L -1.4573 Soluble
212 Y L 0.0000 Buried
213 A L -0.6312 Soluble
214 C L 0.0000 Buried
215 E L -0.6406 Soluble
216 V L 0.0000 Buried
217 T L -1.1180 Soluble
218 H L 0.0000 Buried
219 Q L -1.7084 Soluble
220 G L -0.4492 Soluble
221 L L -0.1477 Soluble
222 S L -0.4062 Soluble
223 S L -0.3738 Soluble
224 P L -0.5543 Soluble
225 V L 0.0104 Aggregation-prone
226 T L -0.4671 Soluble
227 K L -0.6700 Soluble
228 S L -0.5749 Soluble
229 F L -0.7382 Soluble
230 N L -1.4953 Soluble
231 R L -2.1713 Soluble
232 G L -2.0162 Soluble
233 E L -2.0114 Soluble
234 C L -0.5443 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
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 -0.6879 3.33 CSV PDB
4.5 -0.7396 3.3233 CSV PDB
5.0 -0.8015 3.3163 CSV PDB
5.5 -0.8614 3.3093 CSV PDB
6.0 -0.9057 3.3022 CSV PDB
6.5 -0.9233 3.2951 CSV PDB
7.0 -0.9132 3.2882 CSV PDB
7.5 -0.8852 3.2816 CSV PDB
8.0 -0.8481 3.2759 CSV PDB
8.5 -0.8051 3.2719 CSV PDB
9.0 -0.7562 3.2698 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH