Infliximab / 6ugv

A4DAB142_6ugv_H_L | Source PDB: 6ugv | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7125
Max Score
1.7939
Min Score
-3.5544
Total Score
-309.21
Score CDR
-0.1635
Score non-CDR
-0.7791

Calculation Parameters

Chain Sequence(s) EVKLEESGGGLVQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDILLTQSPAILSVSPGERVSFSCRASQFVGSSIHWYQQRTNGSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.5544
Maximum Score 1.7939
Average Score -0.7125
Total Score -309.209

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

Index Residue Chain A4D Score Classification
1 E H -2.2221 Soluble
2 V H -1.4103 Soluble
3 K H -2.3235 Soluble
4 L H 0.0000 Buried
5 E H -1.7453 Soluble
6 E H 0.0000 Buried
7 S H -0.9870 Soluble
8 G H -1.1671 Soluble
9 G H -0.8772 Soluble
11 G H -0.7206 Soluble
12 L H -0.2908 Soluble
13 V H 0.0000 Buried
14 Q H -1.8597 Soluble
15 P H -2.0005 Soluble
16 G H -2.0805 Soluble
17 G H -1.5199 Soluble
18 S H -1.4080 Soluble
19 M H -1.2785 Soluble
20 K H -1.8942 Soluble
21 L H 0.0000 Buried
22 S H -0.6310 Soluble
23 C H 0.0000 Buried
24 V H -0.3705 Soluble
25 A H 0.0000 Buried
26 S H -0.9475 Soluble
27 G H -0.8667 Soluble
28 F H 0.3702 Aggregation-prone
29 I H 1.5687 Aggregation-prone
30 F H 0.0000 Buried
35 S H -0.7684 Soluble
36 N H -0.9318 Soluble
37 H H -0.1548 Soluble
38 W H -0.1533 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 -0.8351 Soluble
45 S H -1.5716 Soluble
46 P H -1.6749 Soluble
47 E H -3.0941 Soluble
48 K H -3.0624 Soluble
49 G H -1.6983 Soluble
50 L H 0.0000 Buried
51 E H -0.8110 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 -0.8206 Soluble
58 S H 0.0000 Buried
59 K H -2.2360 Soluble
60 S H -1.0124 Soluble
61 I H -0.0533 Soluble
62 N H -1.3446 Soluble
63 S H -1.2054 Soluble
64 A H -0.6009 Soluble
65 T H -0.3985 Soluble
66 H H -0.7420 Soluble
67 Y H -1.0898 Soluble
68 A H -1.4120 Soluble
69 E H -2.5167 Soluble
70 S H -1.5514 Soluble
71 V H 0.0000 Buried
72 K H -2.5831 Soluble
74 G H -1.7608 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -0.7164 Soluble
78 I H 0.0000 Buried
79 S H -0.3461 Soluble
80 R H -0.9102 Soluble
81 D H -1.3565 Soluble
82 D H -1.3642 Soluble
83 S H -1.3705 Soluble
84 K H -1.9442 Soluble
85 S H -0.7040 Soluble
86 A H 0.0000 Buried
87 V H 0.0000 Buried
88 Y H -0.3066 Soluble
89 L H 0.0000 Buried
90 Q H -1.0348 Soluble
91 M H 0.0000 Buried
92 T H -1.6104 Soluble
93 D H -2.5552 Soluble
94 L H 0.0000 Buried
95 R H -2.5358 Soluble
96 T H -1.7980 Soluble
97 E H -2.6919 Soluble
98 D H 0.0000 Buried
99 T H -0.8038 Soluble
100 G H -0.6634 Soluble
101 V H 0.1874 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 1.3448 Aggregation-prone
109 Y H 0.8745 Aggregation-prone
110 G H 0.4431 Aggregation-prone
113 S H 0.3298 Aggregation-prone
114 T H 0.0000 Buried
115 Y H 0.0000 Buried
116 D H 0.1150 Aggregation-prone
117 Y H 0.3055 Aggregation-prone
118 W H -0.5130 Soluble
119 G H 0.0000 Buried
120 Q H -1.8337 Soluble
121 G H 0.0000 Buried
122 T H -0.5347 Soluble
123 T H -0.2366 Soluble
124 L H 0.0000 Buried
125 T H -0.6097 Soluble
126 V H 0.0000 Buried
127 S H -0.9939 Soluble
128 S H -0.7428 Soluble
129 A H -0.4803 Soluble
130 S H -0.5825 Soluble
131 T H -0.6450 Soluble
132 K H -1.2343 Soluble
133 G H -1.3851 Soluble
134 P H -0.6037 Soluble
135 S H -0.2849 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0646 Soluble
139 L H 0.0000 Buried
140 A H -1.3453 Soluble
141 P H 0.0000 Buried
142 S H -1.2373 Soluble
143 S H -0.9993 Soluble
144 K H -1.3328 Soluble
145 S H 0.0000 Buried
146 T H -0.6985 Soluble
147 S H -0.6919 Soluble
148 G H -0.8228 Soluble
149 G H -0.8721 Soluble
150 T H -0.5874 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 -0.3805 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.6218 Soluble
164 P H -0.8192 Soluble
165 V H 0.0000 Buried
166 T H -0.6020 Soluble
167 V H -0.3924 Soluble
168 S H -0.3971 Soluble
169 W H 0.0000 Buried
170 N H -0.8822 Soluble
171 S H -0.7294 Soluble
172 G H -0.5210 Soluble
173 A H -0.2636 Soluble
174 L H -0.0145 Soluble
175 T H -0.1767 Soluble
176 S H -0.1853 Soluble
177 G H -0.2215 Soluble
178 V H 0.1606 Aggregation-prone
179 H H -0.2731 Soluble
180 T H 0.0042 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.2373 Soluble
183 A H 0.2840 Aggregation-prone
184 V H 0.7097 Aggregation-prone
185 L H 1.3342 Aggregation-prone
186 Q H 0.3820 Aggregation-prone
187 S H -0.0271 Soluble
188 S H -0.1987 Soluble
189 G H 0.0522 Aggregation-prone
190 L H 0.1568 Aggregation-prone
191 Y H 0.5040 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 -0.1809 Soluble
199 V H 0.0000 Buried
200 P H -0.5287 Soluble
201 S H -0.5666 Soluble
202 S H -0.5860 Soluble
203 S H -0.6916 Soluble
204 L H -0.9892 Soluble
205 G H -1.3708 Soluble
206 T H -0.8599 Soluble
207 Q H -1.5625 Soluble
208 T H -1.2670 Soluble
209 Y H 0.0000 Buried
210 I H -1.1982 Soluble
211 C H 0.0000 Buried
212 N H -1.5052 Soluble
213 V H 0.0000 Buried
214 N H -1.8541 Soluble
215 H H 0.0000 Buried
216 K H -2.8239 Soluble
217 P H -1.6559 Soluble
218 S H -1.7999 Soluble
219 N H -2.5723 Soluble
220 T H -2.2626 Soluble
221 K H -2.6973 Soluble
222 V H -1.8003 Soluble
223 D H -2.5516 Soluble
224 K H -1.9898 Soluble
225 K H -2.4124 Soluble
226 V H 0.0000 Buried
227 E H -2.8678 Soluble
228 P H -1.9510 Soluble
229 K H -2.5801 Soluble
1 D L -1.4152 Soluble
2 I L -0.0345 Soluble
3 L L 0.6366 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.6104 Soluble
6 Q L 0.0000 Buried
7 S L -0.2955 Soluble
8 P L 0.3152 Aggregation-prone
9 A L 0.7116 Aggregation-prone
10 I L 1.7939 Aggregation-prone
11 L L 0.9273 Aggregation-prone
12 S L 0.1600 Aggregation-prone
13 V L -1.1775 Soluble
14 S L -1.6739 Soluble
15 P L -1.9937 Soluble
16 G L -2.2828 Soluble
17 E L -3.2406 Soluble
18 R L -3.3993 Soluble
19 V L 0.0000 Buried
20 S L -0.7332 Soluble
21 F L 0.0000 Buried
22 S L -1.0261 Soluble
23 C L 0.0000 Buried
24 R L -2.4154 Soluble
25 A L 0.0000 Buried
26 S L -0.6968 Soluble
27 Q L -0.7702 Soluble
28 F L 0.7101 Aggregation-prone
29 V L 0.0000 Buried
36 G L 0.0041 Aggregation-prone
37 S L -0.1101 Soluble
38 S L 0.0000 Buried
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 -1.2368 Soluble
45 R L -1.9951 Soluble
46 T L -1.6967 Soluble
47 N L -1.9596 Soluble
48 G L -1.5076 Soluble
49 S L -1.0845 Soluble
50 P L 0.0000 Buried
51 R L -0.9277 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 K L -0.7449 Soluble
56 Y L -0.0408 Soluble
57 A L 0.0000 Buried
65 S L -1.1766 Soluble
66 E L -1.9508 Soluble
67 S L -1.1607 Soluble
68 M L -0.6426 Soluble
69 S L -0.5533 Soluble
70 G L -0.4858 Soluble
71 I L -0.3301 Soluble
72 P L -0.4142 Soluble
74 S L -0.7684 Soluble
75 R L -1.4551 Soluble
76 F L 0.0000 Buried
77 S L -1.0459 Soluble
78 G L -0.7289 Soluble
79 S L -0.8767 Soluble
80 G L -1.1224 Soluble
83 S L -0.7318 Soluble
84 G L -0.5221 Soluble
85 T L -1.3429 Soluble
86 D L -2.6162 Soluble
87 F L 0.0000 Buried
88 T L -0.9300 Soluble
89 L L 0.0000 Buried
90 S L 0.0000 Buried
91 I L 0.0000 Buried
92 N L -2.9668 Soluble
93 T L -2.5978 Soluble
94 V L 0.0000 Buried
95 E L -2.8024 Soluble
96 S L -2.4582 Soluble
97 E L -2.6004 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 D L -0.6762 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 -0.1264 Soluble
108 H L -0.2934 Soluble
109 S L -0.2351 Soluble
114 W L 0.0031 Aggregation-prone
115 P L -0.4768 Soluble
116 F L 0.0000 Buried
117 T L 0.0250 Aggregation-prone
118 F L 0.1496 Aggregation-prone
119 G L 0.0000 Buried
120 S L -0.7054 Soluble
121 G L -0.1484 Soluble
122 T L 0.0000 Buried
123 N L 0.0680 Aggregation-prone
124 L L 0.0000 Buried
125 E L -0.6947 Soluble
126 V L 0.0000 Buried
127 K L -1.4993 Soluble
128 R L -1.0673 Soluble
129 T L -0.1071 Soluble
130 V L 0.3080 Aggregation-prone
131 A L -0.0700 Soluble
132 A L -0.0951 Soluble
133 P L 0.0000 Buried
134 S L -0.1699 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 -1.0083 Soluble
140 P L 0.0000 Buried
141 S L 0.0000 Buried
142 D L -2.8210 Soluble
143 E L -2.7421 Soluble
144 Q L 0.0000 Buried
145 L L -2.1703 Soluble
146 K L -2.7846 Soluble
147 S L -1.7344 Soluble
148 G L -1.2452 Soluble
149 T L -1.2254 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 -0.8482 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7721 Soluble
162 R L -2.9310 Soluble
163 E L -3.2607 Soluble
164 A L -2.2859 Soluble
165 K L -2.1299 Soluble
166 V L -0.9999 Soluble
167 Q L -0.6014 Soluble
168 W L 0.0000 Buried
169 K L -0.5955 Soluble
170 V L 0.0000 Buried
171 D L -1.8500 Soluble
172 N L -1.5615 Soluble
173 A L -0.2967 Soluble
174 L L 0.6767 Aggregation-prone
175 Q L -0.3673 Soluble
176 S L -0.7235 Soluble
177 G L -1.3273 Soluble
178 N L -1.7263 Soluble
179 S L -1.4367 Soluble
180 Q L -1.2105 Soluble
181 E L -1.3362 Soluble
182 S L -0.6407 Soluble
183 V L -0.4899 Soluble
184 T L -0.9919 Soluble
185 E L -2.1984 Soluble
186 Q L 0.0000 Buried
187 D L -2.1300 Soluble
188 S L -2.4479 Soluble
189 K L -2.7466 Soluble
190 D L -2.2265 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 -0.6892 Soluble
199 L L 0.0000 Buried
200 T L -0.7462 Soluble
201 L L 0.0000 Buried
202 S L -1.1594 Soluble
203 K L -2.1109 Soluble
204 A L -1.9340 Soluble
205 D L -2.6521 Soluble
206 Y L 0.0000 Buried
207 E L -3.5436 Soluble
208 K L -3.5544 Soluble
209 H L -3.0857 Soluble
210 K L -3.3745 Soluble
211 V L -1.6043 Soluble
212 Y L 0.0000 Buried
213 A L -0.7895 Soluble
214 C L 0.0000 Buried
215 E L -0.7927 Soluble
216 V L 0.0000 Buried
217 T L -1.1268 Soluble
218 H L 0.0000 Buried
219 Q L -1.7693 Soluble
220 G L -0.4357 Soluble
221 L L -0.2218 Soluble
222 S L -0.4433 Soluble
223 S L -0.4290 Soluble
224 P L -0.5378 Soluble
225 V L 0.0222 Aggregation-prone
226 T L -0.3797 Soluble
227 K L -0.7036 Soluble
228 S L -0.6797 Soluble
229 F L 0.0000 Buried
230 N L -2.1019 Soluble
231 R L -2.6466 Soluble
232 G L -2.2189 Soluble
233 E L -2.7413 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 -0.7221 3.3502 CSV PDB
4.5 -0.7717 3.3282 CSV PDB
5.0 -0.8312 3.3014 CSV PDB
5.5 -0.8882 3.2735 CSV PDB
6.0 -0.9287 3.2471 CSV PDB
6.5 -0.942 3.2244 CSV PDB
7.0 -0.9279 3.2053 CSV PDB
7.5 -0.8962 3.1886 CSV PDB
8.0 -0.8553 3.173 CSV PDB
8.5 -0.8081 3.1589 CSV PDB
9.0 -0.7554 3.1475 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH