Urelumab / 6mhr

A4DAB284_6mhr_D_E | Source PDB: 6mhr | Chains: D, E | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.723
Max Score
1.5014
Min Score
-3.2552
Total Score
-312.33
Score CDR
-0.3576
Score non-CDR
-0.7708

Calculation Parameters

Chain Sequence(s) QVQLQQWGAGLLKPSETLSLTCAVYGGSFSGYYWSWIRQSPEKGLEWIGEINHGGYVTYNPSLESRVTISVDTSKNQFSLKLSSVTAADTAVYYCARDYGPGNYDWYFDLWGRGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPALTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) D (Heavy), E (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 -3.2552
Maximum Score 1.5014
Average Score -0.723
Total Score -312.3291

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

Index Residue Chain A4D Score Classification
1 Q D -1.3788 Soluble
2 V D -0.8277 Soluble
3 Q D -1.5295 Soluble
4 L D -1.0309 Soluble
5 Q D -1.3644 Soluble
6 Q D 0.0000 Buried
7 W D 0.0808 Aggregation-prone
8 G D 0.1200 Aggregation-prone
9 A D 0.2714 Aggregation-prone
11 G D 0.5900 Aggregation-prone
12 L D 0.3244 Aggregation-prone
13 L D -0.7776 Soluble
14 K D -2.0520 Soluble
15 P D -1.4602 Soluble
16 S D -1.4089 Soluble
17 E D -2.0042 Soluble
18 T D -1.4130 Soluble
19 L D 0.0000 Buried
20 S D -0.7838 Soluble
21 L D 0.0000 Buried
22 T D -0.3158 Soluble
23 C D 0.0000 Buried
24 A D 0.0000 Buried
25 V D 0.0000 Buried
26 Y D -0.4143 Soluble
27 G D -0.7408 Soluble
28 G D -0.8931 Soluble
29 S D -0.4886 Soluble
30 F D 0.0000 Buried
35 S D -0.7316 Soluble
36 G D -0.4873 Soluble
37 Y D 0.0606 Aggregation-prone
38 Y D 0.3869 Aggregation-prone
39 W D 0.0000 Buried
40 S D 0.0000 Buried
41 W D 0.0000 Buried
42 I D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.5393 Soluble
45 S D 0.0000 Buried
46 P D -1.6686 Soluble
47 E D -2.8596 Soluble
48 K D -2.8263 Soluble
49 G D -1.7352 Soluble
50 L D 0.0000 Buried
51 E D -0.5958 Soluble
52 W D 0.0000 Buried
53 I D 0.0000 Buried
54 G D 0.0000 Buried
55 E D 0.0000 Buried
56 I D 0.0000 Buried
57 N D 0.0275 Aggregation-prone
58 H D -0.8809 Soluble
59 G D -0.3349 Soluble
63 G D 0.1372 Aggregation-prone
64 Y D 1.4011 Aggregation-prone
65 V D 1.5014 Aggregation-prone
66 T D 0.4116 Aggregation-prone
67 Y D -0.3693 Soluble
68 N D -0.8240 Soluble
69 P D -1.2838 Soluble
70 S D -1.1303 Soluble
71 L D 0.0000 Buried
72 E D -2.1868 Soluble
74 S D -1.3888 Soluble
75 R D -1.4259 Soluble
76 V D 0.0000 Buried
77 T D -0.8800 Soluble
78 I D 0.0000 Buried
79 S D -0.2312 Soluble
80 V D -0.4926 Soluble
81 D D -1.4111 Soluble
82 T D -1.4093 Soluble
83 S D -1.3781 Soluble
84 K D -2.1521 Soluble
85 N D -1.6416 Soluble
86 Q D -1.2689 Soluble
87 F D 0.0000 Buried
88 S D -0.4526 Soluble
89 L D 0.0000 Buried
90 K D -1.4979 Soluble
91 L D 0.0000 Buried
92 S D -1.1191 Soluble
93 S D -1.1135 Soluble
94 V D 0.0000 Buried
95 T D -0.6504 Soluble
96 A D -0.2468 Soluble
97 A D -0.4534 Soluble
98 D D 0.0000 Buried
99 T D 0.1726 Aggregation-prone
100 A D 0.0000 Buried
101 V D 0.7534 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D -0.0704 Soluble
107 D D 0.0000 Buried
108 Y D 0.0758 Aggregation-prone
109 G D -0.5423 Soluble
110 P D -0.7395 Soluble
111 G D -1.2406 Soluble
111A N D -1.5886 Soluble
112A Y D -0.8406 Soluble
112 D D -0.7057 Soluble
113 W D -0.2593 Soluble
114 Y D 0.0000 Buried
115 F D 0.0000 Buried
116 D D -0.3639 Soluble
117 L D -0.3778 Soluble
118 W D -0.9445 Soluble
119 G D 0.0000 Buried
120 R D -2.1845 Soluble
121 G D 0.0000 Buried
122 T D 0.3173 Aggregation-prone
123 L D 1.4184 Aggregation-prone
124 V D 0.0000 Buried
125 T D 0.1873 Aggregation-prone
126 V D 0.0000 Buried
127 S D -0.5756 Soluble
128 S D -0.7746 Soluble
129 A D -0.6462 Soluble
130 S D -0.7386 Soluble
131 T D -0.8987 Soluble
132 K D -1.4098 Soluble
133 G D -1.4887 Soluble
134 P D -0.7281 Soluble
135 S D -0.4971 Soluble
136 V D 0.0000 Buried
137 F D -0.8561 Soluble
138 P D -1.1902 Soluble
139 L D 0.0000 Buried
140 A D -1.2045 Soluble
141 P D 0.0000 Buried
142 S D -0.8462 Soluble
143 S D -0.6015 Soluble
144 G D -0.6378 Soluble
145 T D -0.4861 Soluble
146 A D 0.0000 Buried
147 A D 0.0000 Buried
148 L D 0.0000 Buried
149 G D 0.0000 Buried
150 C D 0.0000 Buried
151 L D 0.0000 Buried
152 V D 0.0000 Buried
153 K D 0.0000 Buried
154 D D -0.5686 Soluble
155 Y D 0.0000 Buried
156 F D 0.0000 Buried
157 P D -1.0856 Soluble
158 E D -1.6288 Soluble
159 P D -1.5190 Soluble
160 V D -1.1568 Soluble
161 T D -0.8536 Soluble
162 V D -0.3930 Soluble
163 S D -0.3321 Soluble
164 W D 0.0000 Buried
165 N D -0.5265 Soluble
166 S D -0.5272 Soluble
167 G D -0.5390 Soluble
168 A D -0.2281 Soluble
169 L D 0.0470 Aggregation-prone
170 T D -0.1226 Soluble
171 S D -0.1214 Soluble
172 G D -0.0082 Soluble
173 V D 0.2054 Aggregation-prone
174 H D -0.3402 Soluble
175 T D 0.0034 Aggregation-prone
176 F D 0.0000 Buried
177 P D -0.1611 Soluble
178 A D 0.1521 Aggregation-prone
179 V D 0.4582 Aggregation-prone
180 L D 0.9295 Aggregation-prone
181 Q D 0.0896 Aggregation-prone
182 S D -0.1274 Soluble
183 S D -0.2433 Soluble
184 G D -0.0097 Soluble
185 L D -0.1660 Soluble
186 Y D 0.0000 Buried
187 S D 0.0000 Buried
188 L D 0.0000 Buried
189 S D 0.0000 Buried
190 S D 0.0000 Buried
191 V D 0.0000 Buried
192 V D 0.0000 Buried
193 T D -0.0961 Soluble
194 V D 0.0000 Buried
195 P D -0.5151 Soluble
196 S D -0.5400 Soluble
197 S D -0.5955 Soluble
198 S D -0.5927 Soluble
199 L D -0.8190 Soluble
200 G D -1.0305 Soluble
201 T D -0.7429 Soluble
202 Q D -1.0888 Soluble
203 T D -1.1225 Soluble
204 Y D 0.0000 Buried
205 I D -1.1520 Soluble
206 C D 0.0000 Buried
207 N D 0.0000 Buried
208 V D 0.0000 Buried
209 N D -2.2719 Soluble
210 H D 0.0000 Buried
211 K D -3.0166 Soluble
212 P D -1.9076 Soluble
213 S D -1.9363 Soluble
214 N D -2.6811 Soluble
215 T D -2.2744 Soluble
216 K D -2.7477 Soluble
217 V D -1.7157 Soluble
218 D D -2.1809 Soluble
219 K D -2.2110 Soluble
220 K D -2.6936 Soluble
221 V D 0.0000 Buried
222 E D -2.8895 Soluble
223 P D -2.1621 Soluble
224 K D -2.5415 Soluble
1 E E -1.6862 Soluble
2 I E 0.0000 Buried
3 V E 0.5175 Aggregation-prone
4 L E 0.0000 Buried
5 T E -0.7459 Soluble
6 Q E -0.8986 Soluble
7 S E -0.8304 Soluble
8 P E -0.4377 Soluble
9 A E -0.4621 Soluble
10 T E -0.5626 Soluble
11 L E -0.3603 Soluble
12 S E -0.7079 Soluble
13 L E -1.0420 Soluble
14 S E -1.4940 Soluble
15 P E -1.7891 Soluble
16 G E -1.7526 Soluble
17 E E -2.1866 Soluble
18 R E -2.5751 Soluble
19 A E 0.0000 Buried
20 T E -0.6488 Soluble
21 L E 0.0000 Buried
22 S E -1.0445 Soluble
23 C E 0.0000 Buried
24 R E -2.6353 Soluble
25 A E 0.0000 Buried
26 S E -1.1323 Soluble
27 Q E -1.7807 Soluble
28 S E -1.3921 Soluble
29 V E 0.0000 Buried
36 S E -0.7003 Soluble
37 S E -0.4837 Soluble
38 Y E 0.1095 Aggregation-prone
39 L E 0.0000 Buried
40 A E 0.0000 Buried
41 W E 0.0000 Buried
42 Y E 0.0000 Buried
43 Q E 0.0000 Buried
44 Q E -1.2703 Soluble
45 K E -1.7371 Soluble
46 P E -1.4321 Soluble
47 G E -1.6247 Soluble
48 Q E -2.3311 Soluble
49 A E -1.6088 Soluble
50 P E 0.0000 Buried
51 R E -1.4977 Soluble
52 L E 0.0000 Buried
53 L E 0.0000 Buried
54 I E 0.0000 Buried
55 Y E -0.7458 Soluble
56 D E -0.9203 Soluble
57 A E 0.0000 Buried
65 S E -1.3260 Soluble
66 N E -2.0795 Soluble
67 R E -2.0331 Soluble
68 A E -1.2646 Soluble
69 T E -0.7669 Soluble
70 G E -0.8333 Soluble
71 I E 0.0000 Buried
72 P E -0.4774 Soluble
74 A E -0.3888 Soluble
75 R E -0.7976 Soluble
76 F E 0.0000 Buried
77 S E -0.8387 Soluble
78 G E -0.8665 Soluble
79 S E -0.9193 Soluble
80 G E -1.2561 Soluble
83 S E -0.9754 Soluble
84 G E -1.3153 Soluble
85 T E -2.0796 Soluble
86 D E -2.8827 Soluble
87 F E 0.0000 Buried
88 T E -0.8988 Soluble
89 L E 0.0000 Buried
90 T E -0.5815 Soluble
91 I E 0.0000 Buried
92 S E -1.2532 Soluble
93 S E -1.6535 Soluble
94 L E 0.0000 Buried
95 E E -2.2991 Soluble
96 P E -1.6728 Soluble
97 E E -2.3375 Soluble
98 D E 0.0000 Buried
99 F E -0.8657 Soluble
100 A E 0.0000 Buried
101 V E -0.6404 Soluble
102 Y E 0.0000 Buried
103 Y E -0.3222 Soluble
104 C E 0.0000 Buried
105 Q E 0.0000 Buried
106 Q E 0.0000 Buried
107 R E -0.3530 Soluble
108 S E -0.6726 Soluble
109 N E -0.9371 Soluble
110 W E 0.3275 Aggregation-prone
113 P E -0.3546 Soluble
114 P E -0.8942 Soluble
115 A E -0.7150 Soluble
116 L E 0.0000 Buried
117 T E -0.0925 Soluble
118 F E 0.0000 Buried
119 G E 0.0000 Buried
120 G E -0.9669 Soluble
121 G E -0.6359 Soluble
122 T E 0.0000 Buried
123 K E -1.2641 Soluble
124 V E 0.0000 Buried
125 E E -0.7224 Soluble
126 I E -0.8785 Soluble
127 K E -1.6770 Soluble
128 R E -1.3253 Soluble
129 T E -0.3550 Soluble
130 V E 0.0429 Aggregation-prone
131 A E -0.1779 Soluble
132 A E -0.1624 Soluble
133 P E 0.0000 Buried
134 S E -0.1513 Soluble
135 V E 0.0000 Buried
136 F E 0.0800 Aggregation-prone
137 I E 0.0831 Aggregation-prone
138 F E 0.0000 Buried
139 P E -0.8596 Soluble
140 P E -0.8666 Soluble
141 S E -1.8499 Soluble
142 D E -3.0008 Soluble
143 E E -3.1834 Soluble
144 Q E 0.0000 Buried
145 L E -2.1329 Soluble
146 K E -2.8249 Soluble
147 S E -1.7871 Soluble
148 G E -1.2771 Soluble
149 T E -0.8581 Soluble
150 A E 0.0000 Buried
151 S E 0.0000 Buried
152 V E 0.0000 Buried
153 V E 0.0000 Buried
154 C E 0.0000 Buried
155 L E 0.0000 Buried
156 L E 0.0000 Buried
157 N E -0.3299 Soluble
158 N E -0.9018 Soluble
159 F E 0.0000 Buried
160 Y E 0.0000 Buried
161 P E -1.8907 Soluble
162 R E -2.9904 Soluble
163 E E -3.2552 Soluble
164 A E -2.3559 Soluble
165 K E -2.1868 Soluble
166 V E -1.1243 Soluble
167 Q E -0.4212 Soluble
168 W E 0.0000 Buried
169 K E -0.5852 Soluble
170 V E 0.0000 Buried
171 D E -1.8213 Soluble
172 N E -1.5190 Soluble
173 A E -0.2353 Soluble
174 L E 0.7506 Aggregation-prone
175 Q E -0.3385 Soluble
176 S E -0.6620 Soluble
177 G E -1.3988 Soluble
178 N E -1.8091 Soluble
179 S E -1.7112 Soluble
180 Q E -1.9037 Soluble
181 E E -2.0682 Soluble
182 S E -0.9147 Soluble
183 V E -0.8732 Soluble
184 T E -1.2342 Soluble
185 E E -2.3045 Soluble
186 Q E -1.9488 Soluble
187 D E -1.9794 Soluble
188 S E -1.7806 Soluble
189 K E -2.2186 Soluble
190 D E -1.6367 Soluble
191 S E -1.7471 Soluble
192 T E 0.0000 Buried
193 Y E 0.0000 Buried
194 S E 0.0000 Buried
195 L E 0.0000 Buried
196 S E 0.0000 Buried
197 S E 0.0000 Buried
198 T E -0.9022 Soluble
199 L E 0.0000 Buried
200 T E -0.7154 Soluble
201 L E -0.7842 Soluble
202 S E -0.9492 Soluble
203 K E -1.8319 Soluble
204 A E -1.5809 Soluble
205 D E -2.2481 Soluble
206 Y E 0.0000 Buried
207 E E -2.8837 Soluble
208 K E -3.2496 Soluble
209 H E -2.9556 Soluble
210 K E -2.9888 Soluble
211 V E -1.4747 Soluble
212 Y E 0.0000 Buried
213 A E -0.7805 Soluble
214 C E 0.0000 Buried
215 E E -0.6591 Soluble
216 V E 0.0000 Buried
217 T E -1.1539 Soluble
218 H E 0.0000 Buried
219 Q E -1.7941 Soluble
220 G E -0.4712 Soluble
221 L E -0.2009 Soluble
222 S E -0.4138 Soluble
223 S E -0.3954 Soluble
224 P E -0.4575 Soluble
225 V E 0.1277 Aggregation-prone
226 T E -0.3680 Soluble
227 K E -0.6261 Soluble
228 S E -0.5873 Soluble
229 F E -1.0201 Soluble
230 N E -2.1178 Soluble
231 R E -2.5898 Soluble
232 G E -2.2492 Soluble
233 E E -2.6059 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 -0.6931 4.4393 CSV PDB
4.5 -0.7325 4.4393 CSV PDB
5.0 -0.781 4.4393 CSV PDB
5.5 -0.8278 4.4393 CSV PDB
6.0 -0.8604 4.4393 CSV PDB
6.5 -0.8689 4.4393 CSV PDB
7.0 -0.8519 4.4393 CSV PDB
7.5 -0.8169 4.4393 CSV PDB
8.0 -0.7722 4.4393 CSV PDB
8.5 -0.7217 4.4393 CSV PDB
9.0 -0.6666 4.4393 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH