Ofatumumab / 6y92

A4DAB188_6y92_C_D | Source PDB: 6y92 | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7117
Max Score
1.5707
Min Score
-3.8439
Total Score
-303.88
Score CDR
-0.2257
Score non-CDR
-0.7747

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGRSLRLSCAASGFTFNDYAMHWVRQAPGKGLEWVSTISWNSGSIGYADSVKGRFTISRDNAKKSLYLQMNSLRAEDTALYYCAKDIQYGNYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) C (Heavy), D (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 -3.8439
Maximum Score 1.5707
Average Score -0.7117
Total Score -303.8801

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

Index Residue Chain A4D Score Classification
1 E C -1.8593 Soluble
2 V C -0.8267 Soluble
3 Q C -1.0735 Soluble
4 L C 0.0000 Buried
5 V C 0.9931 Aggregation-prone
6 E C 0.1333 Aggregation-prone
7 S C -0.5510 Soluble
8 G C -1.0949 Soluble
9 G C -0.7803 Soluble
11 G C 0.0565 Aggregation-prone
12 L C 1.1905 Aggregation-prone
13 V C -0.1053 Soluble
14 Q C -1.1173 Soluble
15 P C -0.9068 Soluble
16 G C -1.4786 Soluble
17 R C -2.3021 Soluble
18 S C -1.8029 Soluble
19 L C -1.3849 Soluble
20 R C -2.0668 Soluble
21 L C -1.0769 Soluble
22 S C -0.3296 Soluble
23 C C 0.0000 Buried
24 A C -0.0951 Soluble
25 A C 0.0000 Buried
26 S C -0.6741 Soluble
27 G C -0.7198 Soluble
28 F C -0.1149 Soluble
29 T C -0.7013 Soluble
30 F C 0.0000 Buried
35 N C -2.2579 Soluble
36 D C -1.7859 Soluble
37 Y C -0.3240 Soluble
38 A C 0.0000 Buried
39 M C 0.0000 Buried
40 H C 0.0031 Aggregation-prone
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C -0.5677 Soluble
44 Q C -1.1017 Soluble
45 A C -1.4256 Soluble
46 P C -1.0684 Soluble
47 G C -1.4747 Soluble
48 K C -2.4410 Soluble
49 G C -1.7113 Soluble
50 L C -1.1124 Soluble
51 E C -1.1359 Soluble
52 W C -0.5097 Soluble
53 V C 0.0000 Buried
54 S C 0.0000 Buried
55 T C 0.3677 Aggregation-prone
56 I C 0.0000 Buried
57 S C -0.1262 Soluble
58 W C -0.5148 Soluble
59 N C -1.6047 Soluble
62 S C -0.5612 Soluble
63 G C -0.5857 Soluble
64 S C -0.0388 Soluble
65 I C 0.9147 Aggregation-prone
66 G C 0.4656 Aggregation-prone
67 Y C -0.2108 Soluble
68 A C -0.9873 Soluble
69 D C -2.1333 Soluble
70 S C -1.7063 Soluble
71 V C 0.0000 Buried
72 K C -2.8202 Soluble
74 G C -2.0600 Soluble
75 R C -2.5940 Soluble
76 F C -1.3870 Soluble
77 T C -0.5922 Soluble
78 I C 0.2021 Aggregation-prone
79 S C -0.4947 Soluble
80 R C -1.4051 Soluble
81 D C -2.3287 Soluble
82 N C -2.6951 Soluble
83 A C -2.0523 Soluble
84 K C -2.5924 Soluble
85 K C -2.2347 Soluble
86 S C -1.2962 Soluble
87 L C 0.0000 Buried
88 Y C -0.1186 Soluble
89 L C 0.0000 Buried
90 Q C -1.1832 Soluble
91 M C -1.3745 Soluble
92 N C -2.1706 Soluble
93 S C -1.0179 Soluble
94 L C -0.1803 Soluble
95 R C -0.7161 Soluble
96 A C -0.8837 Soluble
97 E C -1.9339 Soluble
98 D C -1.5583 Soluble
99 T C -0.7332 Soluble
100 A C -0.3603 Soluble
101 L C 0.0912 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C -0.0277 Soluble
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 K C 0.0000 Buried
107 D C 0.0000 Buried
108 I C 1.0278 Aggregation-prone
109 Q C 0.9102 Aggregation-prone
110 Y C 1.1174 Aggregation-prone
111 G C -0.0544 Soluble
111A N C -0.2720 Soluble
112A Y C 1.2412 Aggregation-prone
112 Y C 1.5707 Aggregation-prone
113 Y C 1.0948 Aggregation-prone
114 G C 0.0000 Buried
115 M C 0.0883 Aggregation-prone
116 D C -0.8465 Soluble
117 V C -0.3850 Soluble
118 W C -0.3960 Soluble
119 G C 0.0000 Buried
120 Q C -1.1729 Soluble
121 G C -0.6344 Soluble
122 T C -0.4600 Soluble
123 T C 0.0786 Aggregation-prone
124 V C 0.4717 Aggregation-prone
125 T C 0.1073 Aggregation-prone
126 V C 0.3807 Aggregation-prone
127 S C 0.1220 Aggregation-prone
128 S C -0.3788 Soluble
129 A C -0.4025 Soluble
130 S C -0.6533 Soluble
131 T C -1.0028 Soluble
132 K C -1.9684 Soluble
133 G C -1.5946 Soluble
134 P C -0.9664 Soluble
135 S C -0.3384 Soluble
136 V C -0.2261 Soluble
137 F C -0.3508 Soluble
138 P C -0.8868 Soluble
139 L C 0.0000 Buried
140 A C -0.8152 Soluble
141 P C 0.0000 Buried
142 G C -0.5668 Soluble
143 G C -0.6336 Soluble
144 T C -0.5039 Soluble
145 A C -0.2781 Soluble
146 A C 0.1524 Aggregation-prone
147 L C 0.0000 Buried
148 G C 0.0000 Buried
149 C C 0.0000 Buried
150 L C 0.2842 Aggregation-prone
151 V C 0.0000 Buried
152 K C -0.3121 Soluble
153 D C -0.5915 Soluble
154 Y C 0.0000 Buried
155 F C -0.8420 Soluble
156 P C -1.0694 Soluble
157 E C -1.8439 Soluble
158 P C -1.3925 Soluble
159 V C -0.5327 Soluble
160 T C -0.3441 Soluble
161 V C 0.1384 Aggregation-prone
162 S C 0.1079 Aggregation-prone
163 W C 0.0000 Buried
164 N C -0.1857 Soluble
165 S C -0.3311 Soluble
166 G C -0.4138 Soluble
167 A C -0.0959 Soluble
168 L C 0.4184 Aggregation-prone
169 T C 0.2625 Aggregation-prone
170 S C 0.2068 Aggregation-prone
171 G C 0.4203 Aggregation-prone
172 V C 1.1859 Aggregation-prone
173 H C 0.3749 Aggregation-prone
174 T C 0.1162 Aggregation-prone
175 F C -0.0066 Soluble
176 P C 0.1671 Aggregation-prone
177 A C 0.4114 Aggregation-prone
178 V C 0.8925 Aggregation-prone
179 L C 1.3654 Aggregation-prone
180 Q C 0.3411 Aggregation-prone
181 S C -0.0592 Soluble
182 S C -0.0524 Soluble
183 G C 0.4099 Aggregation-prone
184 L C 0.8499 Aggregation-prone
185 Y C 0.7582 Aggregation-prone
186 S C 0.5035 Aggregation-prone
187 L C 0.2566 Aggregation-prone
188 S C 0.1303 Aggregation-prone
189 S C 0.0000 Buried
190 V C 0.4415 Aggregation-prone
191 V C 0.0000 Buried
192 T C 0.0560 Aggregation-prone
193 V C 0.0000 Buried
194 P C -0.4722 Soluble
195 S C -0.6380 Soluble
196 S C -0.5374 Soluble
197 S C -0.6301 Soluble
198 L C -0.8205 Soluble
199 G C -1.0757 Soluble
200 T C -0.8752 Soluble
201 Q C -1.2712 Soluble
202 T C -0.9480 Soluble
203 Y C 0.0000 Buried
204 I C -0.4391 Soluble
205 C C -0.4244 Soluble
206 N C -1.0200 Soluble
207 V C 0.0000 Buried
208 N C -1.3967 Soluble
209 H C 0.0000 Buried
210 K C -2.7493 Soluble
211 P C -1.7215 Soluble
212 S C -1.9408 Soluble
213 N C -2.5029 Soluble
214 T C -2.0079 Soluble
215 K C -2.3899 Soluble
216 V C -1.3380 Soluble
217 D C -2.0715 Soluble
218 K C -2.4700 Soluble
219 K C -2.0015 Soluble
220 V C 0.0000 Buried
221 E C -2.3878 Soluble
222 P C -1.2824 Soluble
1 E D -1.5284 Soluble
2 I D 0.0000 Buried
3 V D 0.9848 Aggregation-prone
4 L D 0.0294 Aggregation-prone
5 T D -0.4789 Soluble
6 Q D -0.9984 Soluble
7 S D -0.6543 Soluble
8 P D -0.4471 Soluble
9 A D -0.6673 Soluble
10 T D -0.5857 Soluble
11 L D -0.1064 Soluble
12 S D -0.2547 Soluble
13 L D -0.7387 Soluble
14 S D -1.2295 Soluble
15 P D -1.0985 Soluble
16 G D -1.7959 Soluble
17 E D -2.7722 Soluble
18 R D -2.7355 Soluble
19 A D -1.1282 Soluble
20 T D -0.3075 Soluble
21 L D 0.1124 Aggregation-prone
22 S D -0.8862 Soluble
23 C D 0.0000 Buried
24 R D -2.3880 Soluble
25 A D -1.2171 Soluble
26 S D -0.9454 Soluble
27 Q D -1.5419 Soluble
28 S D -1.1344 Soluble
29 V D -0.8804 Soluble
36 S D -0.5305 Soluble
37 S D -0.4688 Soluble
38 Y D 0.1209 Aggregation-prone
39 L D 0.0180 Aggregation-prone
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D -0.1635 Soluble
43 Q D 0.0000 Buried
44 Q D -0.9053 Soluble
45 K D -1.4480 Soluble
46 P D -1.0844 Soluble
47 G D -1.3039 Soluble
48 Q D -2.0455 Soluble
49 A D -1.4336 Soluble
50 P D -1.2978 Soluble
51 R D -1.7693 Soluble
52 L D -0.6235 Soluble
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.2105 Soluble
56 D D -0.4801 Soluble
57 A D -0.8513 Soluble
65 S D -1.0881 Soluble
66 N D -1.5912 Soluble
67 R D -1.6700 Soluble
68 A D -0.8572 Soluble
69 T D -0.6065 Soluble
70 G D -0.3836 Soluble
71 I D -0.2584 Soluble
72 P D -0.6256 Soluble
74 A D -1.1444 Soluble
75 R D -1.8415 Soluble
76 F D -0.7738 Soluble
77 S D -0.6238 Soluble
78 G D -0.6459 Soluble
79 S D -0.8954 Soluble
80 G D -1.1736 Soluble
83 S D -1.1055 Soluble
84 G D -1.4518 Soluble
85 T D -2.0089 Soluble
86 D D -2.5872 Soluble
87 F D 0.0000 Buried
88 T D -0.6203 Soluble
89 L D 0.0465 Aggregation-prone
90 T D -0.7428 Soluble
91 I D -0.7218 Soluble
92 S D -1.4962 Soluble
93 S D -0.8077 Soluble
94 L D -0.2106 Soluble
95 E D -1.4273 Soluble
96 P D -1.3917 Soluble
97 E D -2.0981 Soluble
98 D D -1.1282 Soluble
99 F D -0.0853 Soluble
100 A D 0.0000 Buried
101 V D -0.7634 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 R D -0.1756 Soluble
108 S D -0.6275 Soluble
109 N D -1.0082 Soluble
114 W D 0.2924 Aggregation-prone
115 P D -0.2403 Soluble
116 I D 0.1681 Aggregation-prone
117 T D 0.3140 Aggregation-prone
118 F D 0.1812 Aggregation-prone
119 G D 0.0000 Buried
120 Q D -1.5062 Soluble
121 G D -1.3811 Soluble
122 T D 0.0000 Buried
123 R D -1.5359 Soluble
124 L D -0.4259 Soluble
125 E D -0.4283 Soluble
126 I D -0.2457 Soluble
127 K D -1.1978 Soluble
128 R D -0.8644 Soluble
129 T D -0.0071 Soluble
130 V D 0.6368 Aggregation-prone
131 A D 0.0605 Aggregation-prone
132 A D -0.2348 Soluble
133 P D -0.3412 Soluble
134 S D 0.0329 Aggregation-prone
135 V D 0.7942 Aggregation-prone
136 F D 0.8346 Aggregation-prone
137 I D 0.6426 Aggregation-prone
138 F D 0.5429 Aggregation-prone
139 P D -0.6656 Soluble
140 P D -0.7975 Soluble
141 S D -1.6879 Soluble
142 D D -3.0638 Soluble
143 E D -3.1670 Soluble
144 Q D 0.0000 Buried
145 L D -2.1555 Soluble
146 K D -3.0483 Soluble
147 S D -1.9423 Soluble
148 G D -1.4638 Soluble
149 T D -0.9766 Soluble
150 A D 0.0000 Buried
151 S D 0.0551 Aggregation-prone
152 V D 0.0000 Buried
153 V D 0.5607 Aggregation-prone
154 C D 0.0000 Buried
155 L D 0.6729 Aggregation-prone
156 L D 0.0000 Buried
157 N D -0.3802 Soluble
158 N D -0.9248 Soluble
159 F D 0.0000 Buried
160 Y D -0.8797 Soluble
161 P D -1.4997 Soluble
162 R D -2.4236 Soluble
163 E D -2.7989 Soluble
164 A D -2.0854 Soluble
165 K D -1.9222 Soluble
166 V D -0.6730 Soluble
167 Q D -0.5736 Soluble
168 W D 0.0000 Buried
169 K D -0.6946 Soluble
170 V D -0.5876 Soluble
171 D D -1.0524 Soluble
172 N D -1.3263 Soluble
173 A D -0.1435 Soluble
174 L D 0.6927 Aggregation-prone
175 Q D -0.4784 Soluble
176 S D -0.8757 Soluble
177 G D -1.4712 Soluble
178 N D -1.9402 Soluble
179 S D -1.7549 Soluble
180 Q D -1.5745 Soluble
181 E D -0.9569 Soluble
182 S D -0.0249 Soluble
183 V D -0.1250 Soluble
184 T D -1.0455 Soluble
185 E D -2.5002 Soluble
186 Q D -2.9013 Soluble
187 D D -3.5386 Soluble
188 S D -2.6774 Soluble
189 K D -3.2973 Soluble
190 D D -3.2947 Soluble
191 S D 0.0000 Buried
192 T D -2.0320 Soluble
193 Y D -1.5656 Soluble
194 S D 0.0000 Buried
195 L D 0.0097 Aggregation-prone
196 S D 0.2590 Aggregation-prone
197 S D -0.2930 Soluble
198 T D -0.4473 Soluble
199 L D 0.0000 Buried
200 T D -0.4783 Soluble
201 L D -0.5968 Soluble
202 S D -1.2446 Soluble
203 K D -2.2687 Soluble
204 A D -2.1382 Soluble
205 D D -2.9037 Soluble
206 Y D -2.8067 Soluble
207 E D -3.8439 Soluble
208 K D -3.6409 Soluble
209 H D -2.8512 Soluble
210 K D -2.7880 Soluble
211 V D -0.9411 Soluble
212 Y D 0.0000 Buried
213 A D -0.6357 Soluble
214 C D 0.0000 Buried
215 E D -0.4627 Soluble
216 V D 0.0000 Buried
217 T D -0.6178 Soluble
218 H D -1.2360 Soluble
219 Q D -1.2549 Soluble
220 G D -0.7464 Soluble
221 L D -0.3258 Soluble
222 S D -0.3960 Soluble
223 S D -0.1259 Soluble
224 P D 0.4082 Aggregation-prone
225 V D 1.2773 Aggregation-prone
226 T D 0.0802 Aggregation-prone
227 K D -0.7786 Soluble
228 S D -0.9113 Soluble
229 F D -1.1116 Soluble
230 N D -2.1927 Soluble
231 R D -2.8487 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
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 -0.5804 3.4445 CSV PDB
4.5 -0.6304 3.4108 CSV PDB
5.0 -0.6918 3.3591 CSV PDB
5.5 -0.7532 3.2979 CSV PDB
6.0 -0.8019 3.2367 CSV PDB
6.5 -0.828 3.1853 CSV PDB
7.0 -0.8294 3.152 CSV PDB
7.5 -0.8128 3.1361 CSV PDB
8.0 -0.7858 3.13 CSV PDB
8.5 -0.7516 3.128 CSV PDB
9.0 -0.71 3.1272 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH