Infliximab / 6ugt

A4DAB142_6ugt_H_L | Source PDB: 6ugt | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.691
Max Score
1.7747
Min Score
-3.4251
Total Score
-299.2
Score CDR
-0.1848
Score non-CDR
-0.7526

Calculation Parameters

Chain Sequence(s) EVKLEESGGGLVQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDILLTQSPAILSVSPGERVSFSCRASQFVGSSIHWYQQRTNGSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.4251
Maximum Score 1.7747
Average Score -0.691
Total Score -299.1994

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

Index Residue Chain A4D Score Classification
1 E H -2.0239 Soluble
2 V H -1.0328 Soluble
3 K H -1.5279 Soluble
4 L H 0.0000 Buried
5 E H -1.6449 Soluble
6 E H -1.0803 Soluble
7 S H -1.1045 Soluble
8 G H -1.2497 Soluble
9 G H -0.9123 Soluble
11 G H -0.7222 Soluble
12 L H -0.2690 Soluble
13 V H 0.0000 Buried
14 Q H -1.8499 Soluble
15 P H -1.9887 Soluble
16 G H -2.0729 Soluble
17 G H 0.0000 Buried
18 S H -1.3764 Soluble
19 M H -1.3651 Soluble
20 K H -2.0824 Soluble
21 L H 0.0000 Buried
22 S H -0.7583 Soluble
23 C H 0.0000 Buried
24 V H -0.1456 Soluble
25 A H 0.0000 Buried
26 S H -0.6639 Soluble
27 G H -0.6963 Soluble
28 F H 0.4567 Aggregation-prone
29 I H 1.5470 Aggregation-prone
30 F H 0.0000 Buried
35 S H -0.9497 Soluble
36 N H -1.0472 Soluble
37 H H -0.2015 Soluble
38 W H -0.1741 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 -0.8084 Soluble
45 S H -1.5334 Soluble
46 P H -1.6448 Soluble
47 E H -3.0744 Soluble
48 K H -3.0704 Soluble
49 G H -1.6927 Soluble
50 L H 0.0000 Buried
51 E H -0.7667 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 -0.8089 Soluble
58 S H 0.0000 Buried
59 K H -2.2367 Soluble
60 S H -1.0026 Soluble
61 I H 0.1186 Aggregation-prone
62 N H -1.3136 Soluble
63 S H -1.1953 Soluble
64 A H -0.6041 Soluble
65 T H -0.4239 Soluble
66 H H -0.8007 Soluble
67 Y H -1.1209 Soluble
68 A H -1.4289 Soluble
69 E H -2.5109 Soluble
70 S H -1.5198 Soluble
71 V H 0.0000 Buried
72 K H -2.5830 Soluble
74 G H -1.7600 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -0.8396 Soluble
78 I H 0.0000 Buried
79 S H -0.4611 Soluble
80 R H -0.9943 Soluble
81 D H -1.5000 Soluble
82 D H -1.4175 Soluble
83 S H -1.4213 Soluble
84 K H -1.9684 Soluble
85 S H -0.6654 Soluble
86 A H 0.0000 Buried
87 V H 0.0000 Buried
88 Y H -0.5357 Soluble
89 L H 0.0000 Buried
90 Q H -1.3058 Soluble
91 M H 0.0000 Buried
92 T H -1.6595 Soluble
93 D H -2.5484 Soluble
94 L H 0.0000 Buried
95 R H -2.5751 Soluble
96 T H -1.8285 Soluble
97 E H -2.6921 Soluble
98 D H 0.0000 Buried
99 T H -0.7837 Soluble
100 G H 0.0000 Buried
101 V H 0.2411 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 1.2475 Aggregation-prone
109 Y H 0.8636 Aggregation-prone
110 G H 0.4447 Aggregation-prone
113 S H 0.0000 Buried
114 T H 0.0000 Buried
115 Y H 0.0000 Buried
116 D H 0.1279 Aggregation-prone
117 Y H 0.4400 Aggregation-prone
118 W H -0.4027 Soluble
119 G H 0.0000 Buried
120 Q H -1.8513 Soluble
121 G H -1.0291 Soluble
122 T H -0.6241 Soluble
123 T H -0.2468 Soluble
124 L H 0.0000 Buried
125 T H -0.5956 Soluble
126 V H 0.0000 Buried
127 S H -0.9981 Soluble
128 S H -0.7545 Soluble
129 A H -0.4860 Soluble
130 S H -0.6195 Soluble
131 T H -0.6972 Soluble
132 K H -1.3225 Soluble
133 G H -1.4376 Soluble
134 P H -0.6058 Soluble
135 S H -0.2909 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1298 Soluble
139 L H 0.0000 Buried
140 A H -0.8971 Soluble
141 P H 0.0000 Buried
142 S H -0.7876 Soluble
143 S H -0.7810 Soluble
144 K H -1.1044 Soluble
145 S H 0.0000 Buried
146 T H -0.7261 Soluble
147 S H -0.6904 Soluble
148 G H -0.8328 Soluble
149 G H -0.8768 Soluble
150 T H -0.5766 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 -0.3872 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.5704 Soluble
164 P H -0.7547 Soluble
165 V H -0.6584 Soluble
166 T H -0.5568 Soluble
167 V H -0.3830 Soluble
168 S H -0.3830 Soluble
169 W H 0.0000 Buried
170 N H -0.7232 Soluble
171 S H -0.6580 Soluble
172 G H -0.5143 Soluble
173 A H -0.2552 Soluble
174 L H -0.0091 Soluble
175 T H -0.1685 Soluble
176 S H -0.1550 Soluble
177 G H -0.1347 Soluble
178 V H 0.2016 Aggregation-prone
179 H H -0.1464 Soluble
180 T H 0.0214 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.1212 Soluble
183 A H 0.3627 Aggregation-prone
184 V H 0.6860 Aggregation-prone
185 L H 1.3662 Aggregation-prone
186 Q H 0.2800 Aggregation-prone
187 S H -0.0365 Soluble
188 S H -0.1975 Soluble
189 G H 0.0730 Aggregation-prone
190 L H 0.1635 Aggregation-prone
191 Y H 0.5464 Aggregation-prone
192 S H 0.0000 Buried
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 -0.1150 Soluble
199 V H 0.0000 Buried
200 P H -0.6205 Soluble
201 S H -0.5770 Soluble
202 S H -0.5499 Soluble
203 S H -0.5986 Soluble
204 L H -0.7484 Soluble
205 G H -1.1105 Soluble
206 T H -0.7237 Soluble
207 Q H -1.3177 Soluble
208 T H -1.0951 Soluble
209 Y H 0.0000 Buried
210 I H -1.1044 Soluble
211 C H 0.0000 Buried
212 N H -1.4662 Soluble
213 V H 0.0000 Buried
214 N H -1.8663 Soluble
215 H H 0.0000 Buried
216 K H -2.7795 Soluble
217 P H -1.6529 Soluble
218 S H -1.8266 Soluble
219 N H -2.5403 Soluble
220 T H -2.2596 Soluble
221 K H -2.6808 Soluble
222 V H -1.7771 Soluble
223 D H -2.5256 Soluble
224 K H -1.9942 Soluble
225 K H -2.3937 Soluble
226 V H 0.0000 Buried
227 E H -2.4818 Soluble
228 P H -1.2352 Soluble
1 D L -1.5100 Soluble
2 I L 0.0000 Buried
3 L L 0.5635 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.6236 Soluble
6 Q L 0.0000 Buried
7 S L -0.2906 Soluble
8 P L 0.3182 Aggregation-prone
9 A L 0.6944 Aggregation-prone
10 I L 1.7747 Aggregation-prone
11 L L 0.9398 Aggregation-prone
12 S L 0.0722 Aggregation-prone
13 V L -1.2834 Soluble
14 S L -1.7949 Soluble
15 P L -2.2516 Soluble
16 G L -2.4143 Soluble
17 E L -3.2156 Soluble
18 R L -3.3929 Soluble
19 V L 0.0000 Buried
20 S L -0.6935 Soluble
21 F L 0.0000 Buried
22 S L -0.9371 Soluble
23 C L 0.0000 Buried
24 R L -2.3049 Soluble
25 A L 0.0000 Buried
26 S L -0.6501 Soluble
27 Q L -0.7120 Soluble
28 F L 0.7464 Aggregation-prone
29 V L 0.0000 Buried
36 G L -0.0288 Soluble
37 S L -0.2051 Soluble
38 S L -0.0051 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 -1.1317 Soluble
45 R L -1.6754 Soluble
46 T L -1.4464 Soluble
47 N L -1.8565 Soluble
48 G L -1.4370 Soluble
49 S L -1.0531 Soluble
50 P L 0.0000 Buried
51 R L -0.8700 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 K L -0.8812 Soluble
56 Y L -0.3176 Soluble
57 A L 0.0000 Buried
65 S L -1.2413 Soluble
66 E L -2.0072 Soluble
67 S L -1.1570 Soluble
68 M L -0.6400 Soluble
69 S L -0.5413 Soluble
70 G L -0.4717 Soluble
71 I L -0.2750 Soluble
72 P L -0.3136 Soluble
74 S L -0.6060 Soluble
75 R L -1.0631 Soluble
76 F L 0.0000 Buried
77 S L -0.9609 Soluble
78 G L -0.7548 Soluble
79 S L -0.8710 Soluble
80 G L -1.0916 Soluble
83 S L -0.7171 Soluble
84 G L -0.4497 Soluble
85 T L -1.2097 Soluble
86 D L -2.3666 Soluble
87 F L 0.0000 Buried
88 T L -0.8675 Soluble
89 L L 0.0000 Buried
90 S L 0.0000 Buried
91 I L 0.0000 Buried
92 N L -2.6182 Soluble
93 T L -2.6006 Soluble
94 V L 0.0000 Buried
95 E L -3.3587 Soluble
96 S L -2.6494 Soluble
97 E L -2.5349 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 D L -0.6559 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 -0.1875 Soluble
108 H L -0.3537 Soluble
109 S L -0.3827 Soluble
114 W L -0.0555 Soluble
115 P L -0.5226 Soluble
116 F L 0.0000 Buried
117 T L -0.0119 Soluble
118 F L 0.3066 Aggregation-prone
119 G L 0.0000 Buried
120 S L -0.6666 Soluble
121 G L -0.1327 Soluble
122 T L 0.0000 Buried
123 N L 0.1239 Aggregation-prone
124 L L 0.0000 Buried
125 E L -0.5694 Soluble
126 V L 0.0000 Buried
127 K L -1.6218 Soluble
128 R L -1.0738 Soluble
129 T L -0.0544 Soluble
130 V L 0.3955 Aggregation-prone
131 A L -0.0091 Soluble
132 A L -0.0724 Soluble
133 P L 0.0000 Buried
134 S L -0.1751 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 -0.6876 Soluble
140 P L 0.0000 Buried
141 S L -1.5903 Soluble
142 D L -2.9194 Soluble
143 E L -2.8208 Soluble
144 Q L 0.0000 Buried
145 L L -2.1558 Soluble
146 K L -2.7396 Soluble
147 S L -1.6980 Soluble
148 G L -1.3026 Soluble
149 T L -0.9501 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 -0.7386 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7451 Soluble
162 R L -3.0368 Soluble
163 E L -3.2866 Soluble
164 A L -2.3640 Soluble
165 K L -2.4717 Soluble
166 V L -1.0983 Soluble
167 Q L -0.8265 Soluble
168 W L 0.0000 Buried
169 K L -0.8284 Soluble
170 V L 0.0000 Buried
171 D L -2.0620 Soluble
172 N L -1.6873 Soluble
173 A L -0.5380 Soluble
174 L L 0.1471 Aggregation-prone
175 Q L -0.4762 Soluble
176 S L -0.5339 Soluble
177 G L -0.9415 Soluble
178 N L -0.8617 Soluble
179 S L -1.1760 Soluble
180 Q L -1.4517 Soluble
181 E L -1.2713 Soluble
182 S L -0.5556 Soluble
183 V L -0.3086 Soluble
184 T L -0.7068 Soluble
185 E L -1.6453 Soluble
186 Q L 0.0000 Buried
187 D L -1.6989 Soluble
188 S L -2.2708 Soluble
189 K L -2.7330 Soluble
190 D L -2.2784 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 -0.6324 Soluble
199 L L 0.0000 Buried
200 T L -0.4520 Soluble
201 L L -0.5704 Soluble
202 S L -0.9164 Soluble
203 K L -1.8587 Soluble
204 A L -1.6420 Soluble
205 D L -2.2823 Soluble
206 Y L 0.0000 Buried
207 E L -3.1478 Soluble
208 K L -3.4251 Soluble
209 H L -2.8837 Soluble
210 K L -3.2405 Soluble
211 V L -1.5262 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8861 Soluble
216 V L 0.0000 Buried
217 T L -1.1947 Soluble
218 H L 0.0000 Buried
219 Q L -1.7758 Soluble
220 G L -0.4398 Soluble
221 L L -0.2262 Soluble
222 S L -0.4530 Soluble
223 S L -0.4324 Soluble
224 P L -0.5642 Soluble
225 V L -0.0158 Soluble
226 T L -0.4440 Soluble
227 K L -0.7860 Soluble
228 S L -0.6974 Soluble
229 F L 0.0000 Buried
230 N L -1.9802 Soluble
231 R L -2.5443 Soluble
232 G L -2.3424 Soluble
233 E L -2.5042 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 -0.6823 3.4106 CSV PDB
4.5 -0.7306 3.3845 CSV PDB
5.0 -0.7886 3.3542 CSV PDB
5.5 -0.8449 3.3236 CSV PDB
6.0 -0.8864 3.2958 CSV PDB
6.5 -0.9024 3.2725 CSV PDB
7.0 -0.892 3.2531 CSV PDB
7.5 -0.8637 3.2358 CSV PDB
8.0 -0.8258 3.2198 CSV PDB
8.5 -0.7812 3.2053 CSV PDB
9.0 -0.7307 3.1939 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH