Natalizumab / 6fg2

A4DAB174_6fg2_H_L | Source PDB: 6fg2 | Chains: H, L | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.7325
Max Score
1.3695
Min Score
-3.9021
Total Score
-309.83
Score CDR
-0.6274
Score non-CDR
-0.7462

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGFNIKDTYIHWVRQAPGQRLEWMGRIDPANGYTKYDPKFQGRVTITADTSASTAYMELSSLRSEDEAVYYCAREGYYGNYGVYAMDYWGQGTLVTVSSASTKGPSVFPLAPCSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSTYTCNVDHKPSNTKVDKRVEDIQMTQSPSSLSASVGDRVTITCKTSQDINKYMAWYQQTPGKAPRLLIHYTSALQPGIPSRFSGSGSGRDYTFTISSLQPEDIATYYCLQYDNLWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.9021
Maximum Score 1.3695
Average Score -0.7325
Total Score -309.8315

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

Index Residue Chain A4D Score Classification
1 Q H -1.2475 Soluble
2 V H -0.4871 Soluble
3 Q H -1.2253 Soluble
4 L H 0.0000 Buried
5 V H -0.4265 Soluble
6 Q H 0.0000 Buried
7 S H -0.7661 Soluble
8 G H -0.6637 Soluble
9 A H -0.3312 Soluble
11 E H -1.0759 Soluble
12 V H -0.7010 Soluble
13 K H -1.7130 Soluble
14 K H -2.4320 Soluble
15 P H -2.2235 Soluble
16 G H -1.6320 Soluble
17 A H -1.2486 Soluble
18 S H -1.2578 Soluble
19 V H 0.0000 Buried
20 K H -2.2517 Soluble
21 V H 0.0000 Buried
22 S H -0.7546 Soluble
23 C H 0.0000 Buried
24 K H -1.2762 Soluble
25 A H 0.0000 Buried
26 S H -0.9456 Soluble
27 G H -0.8406 Soluble
28 F H -1.1614 Soluble
29 N H -2.1463 Soluble
30 I H 0.0000 Buried
35 K H -3.0137 Soluble
36 D H -2.6620 Soluble
37 T H 0.0000 Buried
38 Y H -0.2679 Soluble
39 I H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.6409 Soluble
44 Q H -0.8847 Soluble
45 A H -1.2349 Soluble
46 P H -1.1713 Soluble
47 G H -1.2504 Soluble
48 Q H -1.9232 Soluble
49 R H -2.1030 Soluble
50 L H 0.0000 Buried
51 E H -1.3106 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 R H -0.4914 Soluble
56 I H 0.0000 Buried
57 D H -0.9480 Soluble
58 P H 0.0000 Buried
59 A H -1.7481 Soluble
62 N H -1.3595 Soluble
63 G H -0.6696 Soluble
64 Y H 0.4676 Aggregation-prone
65 T H -0.2052 Soluble
66 K H -0.9520 Soluble
67 Y H -1.2151 Soluble
68 D H -1.4583 Soluble
69 P H -1.9015 Soluble
70 K H -2.3322 Soluble
71 F H 0.0000 Buried
72 Q H -2.2543 Soluble
74 G H -1.5060 Soluble
75 R H -1.3465 Soluble
76 V H 0.0000 Buried
77 T H -0.9408 Soluble
78 I H 0.0000 Buried
79 T H -0.5020 Soluble
80 A H -0.8444 Soluble
81 D H -1.3276 Soluble
82 T H -1.0892 Soluble
83 S H -0.5242 Soluble
84 A H -0.6039 Soluble
85 S H -1.1293 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.7804 Soluble
89 M H 0.0000 Buried
90 E H -1.7941 Soluble
91 L H 0.0000 Buried
92 S H -1.1617 Soluble
93 S H -1.0960 Soluble
94 L H 0.0000 Buried
95 R H -3.0070 Soluble
96 S H -2.3344 Soluble
97 E H -2.6776 Soluble
98 D H 0.0000 Buried
99 E H -1.2641 Soluble
100 A H 0.0000 Buried
101 V H 0.3252 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H -0.2549 Soluble
107 E H 0.0000 Buried
108 G H 0.0000 Buried
109 Y H 1.2169 Aggregation-prone
110 Y H 0.5120 Aggregation-prone
111 G H -0.4780 Soluble
111A N H -1.0509 Soluble
112B Y H 0.1340 Aggregation-prone
112A G H -0.1158 Soluble
112 V H 0.0000 Buried
113 Y H 1.3672 Aggregation-prone
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H 0.0000 Buried
117 Y H 0.0530 Aggregation-prone
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.5380 Soluble
121 G H -0.6879 Soluble
122 T H 0.0000 Buried
123 L H 0.5161 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.1823 Soluble
128 S H -0.9217 Soluble
129 A H -0.6955 Soluble
130 S H -0.8025 Soluble
131 T H -1.0315 Soluble
132 K H -2.1746 Soluble
133 G H -2.0484 Soluble
134 P H 0.0000 Buried
135 S H -0.6412 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1783 Soluble
139 L H 0.0000 Buried
140 A H -0.3309 Soluble
141 P H 0.0032 Aggregation-prone
142 C H 0.1670 Aggregation-prone
143 S H -0.1559 Soluble
144 E H -2.0025 Soluble
145 S H -1.2471 Soluble
146 T H -0.8738 Soluble
147 A H -0.4987 Soluble
148 A H 0.0000 Buried
149 L H -0.2238 Soluble
150 G H 0.0000 Buried
151 C H 0.0000 Buried
152 L H 0.0000 Buried
153 V H 0.0000 Buried
154 K H 0.0000 Buried
155 D H -0.8196 Soluble
156 Y H 0.0000 Buried
157 F H 0.0000 Buried
158 P H -0.7381 Soluble
159 E H -0.7708 Soluble
160 P H -0.9434 Soluble
161 V H 0.0000 Buried
162 T H -0.8169 Soluble
163 V H -0.3561 Soluble
164 S H -0.5174 Soluble
165 W H 0.0000 Buried
166 N H -0.9929 Soluble
167 S H -0.7077 Soluble
168 G H -0.4369 Soluble
169 A H -0.1867 Soluble
170 L H 0.0229 Aggregation-prone
171 T H -0.1206 Soluble
172 S H -0.1475 Soluble
173 G H -0.0868 Soluble
174 V H 0.2348 Aggregation-prone
175 H H -0.1032 Soluble
176 T H -0.0016 Soluble
177 F H 0.0000 Buried
178 P H -0.3265 Soluble
179 A H 0.2647 Aggregation-prone
180 V H 0.7041 Aggregation-prone
181 L H 1.3695 Aggregation-prone
182 Q H 0.3366 Aggregation-prone
183 S H -0.0333 Soluble
184 S H -0.1927 Soluble
185 G H 0.1027 Aggregation-prone
186 L H -0.0917 Soluble
187 Y H 0.0000 Buried
188 S H 0.2461 Aggregation-prone
189 L H 0.0000 Buried
190 S H 0.0000 Buried
191 S H 0.0000 Buried
192 V H 0.0000 Buried
193 V H 0.0000 Buried
194 T H -0.0634 Soluble
195 V H 0.0000 Buried
196 P H -0.6846 Soluble
197 S H -0.7162 Soluble
198 T H -0.5770 Soluble
199 Y H -0.7216 Soluble
200 T H 0.0000 Buried
201 C H 0.0000 Buried
202 N H -1.7675 Soluble
203 V H 0.0000 Buried
204 D H -2.4106 Soluble
205 H H 0.0000 Buried
206 K H -2.9424 Soluble
207 P H -1.9283 Soluble
208 S H -2.2792 Soluble
209 N H -2.9114 Soluble
210 T H -2.3586 Soluble
211 K H -2.9297 Soluble
212 V H -1.9713 Soluble
213 D H -2.9022 Soluble
214 K H -2.3484 Soluble
215 R H -2.8759 Soluble
216 V H 0.0000 Buried
217 E H -2.2428 Soluble
1 D L -2.3271 Soluble
2 I L 0.0000 Buried
3 Q L -1.9135 Soluble
4 M L 0.0000 Buried
5 T L -0.9658 Soluble
6 Q L 0.0000 Buried
7 S L -0.4329 Soluble
8 P L -0.4838 Soluble
9 S L -0.6963 Soluble
10 S L -0.7487 Soluble
11 L L -0.6248 Soluble
12 S L -1.1031 Soluble
13 A L -1.3522 Soluble
14 S L -1.1624 Soluble
15 V L -0.2340 Soluble
16 G L -0.8518 Soluble
17 D L -2.2447 Soluble
18 R L -2.4762 Soluble
19 V L 0.0000 Buried
20 T L -0.7001 Soluble
21 I L 0.0000 Buried
22 T L -0.6697 Soluble
23 C L 0.0000 Buried
24 K L -2.4847 Soluble
25 T L 0.0000 Buried
26 S L -2.2321 Soluble
27 Q L -3.0174 Soluble
28 D L -3.6010 Soluble
29 I L 0.0000 Buried
36 N L -2.3981 Soluble
37 K L -2.0513 Soluble
38 Y L -0.7578 Soluble
39 M L 0.0000 Buried
40 A 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 0.0000 Buried
45 T L -1.4155 Soluble
46 P L -1.2828 Soluble
47 G L -1.6330 Soluble
48 K L -2.4578 Soluble
49 A L -1.6423 Soluble
50 P L 0.0000 Buried
51 R L -1.9105 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 H L 0.0000 Buried
56 Y L 0.1884 Aggregation-prone
57 T L 0.0000 Buried
65 S L -0.2391 Soluble
66 A L 0.2519 Aggregation-prone
67 L L 0.3231 Aggregation-prone
68 Q L -0.2781 Soluble
69 P L -0.3664 Soluble
70 G L -0.5048 Soluble
71 I L -0.3882 Soluble
72 P L -0.3177 Soluble
74 S L -0.3753 Soluble
75 R L -0.7356 Soluble
76 F L 0.0000 Buried
77 S L -0.2721 Soluble
78 G L -0.2443 Soluble
79 S L -0.8271 Soluble
80 G L -1.6808 Soluble
83 S L -2.0905 Soluble
84 G L -2.8471 Soluble
85 R L -3.9021 Soluble
86 D L -3.4421 Soluble
87 Y L 0.0000 Buried
88 T L -0.7687 Soluble
89 F L 0.0000 Buried
90 T L -0.6218 Soluble
91 I L 0.0000 Buried
92 S L -1.3450 Soluble
93 S L -1.1822 Soluble
94 L L 0.0000 Buried
95 Q L -0.8680 Soluble
96 P L -1.6577 Soluble
97 E L -2.2916 Soluble
98 D L 0.0000 Buried
99 I L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.7311 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 L L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L -0.4769 Soluble
108 D L -1.6553 Soluble
114 N L -1.8675 Soluble
115 L L -0.8700 Soluble
116 W L 0.0000 Buried
117 T L -0.8233 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.3974 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.1806 Soluble
124 V L 0.0000 Buried
125 E L -1.5211 Soluble
126 I L 0.0000 Buried
127 K L -1.8905 Soluble
128 R L -1.0352 Soluble
129 T L -0.2328 Soluble
130 V L 0.2895 Aggregation-prone
131 A L 0.0547 Aggregation-prone
132 A L -0.1470 Soluble
133 P L 0.0000 Buried
134 S L -0.1095 Soluble
135 V L 0.0000 Buried
136 F L 0.0489 Aggregation-prone
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.5010 Soluble
140 P L 0.0000 Buried
141 S L -1.5673 Soluble
142 D L -2.8836 Soluble
143 E L -2.9021 Soluble
144 Q L 0.0000 Buried
145 L L -2.2107 Soluble
146 K L -2.8586 Soluble
147 S L -1.7590 Soluble
148 G L -1.3342 Soluble
149 T L -1.0294 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 -0.6116 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.8971 Soluble
162 R L -3.1784 Soluble
163 E L -3.2809 Soluble
164 A L -2.3255 Soluble
165 K L -2.3202 Soluble
166 V L -1.0709 Soluble
167 Q L -0.5263 Soluble
168 W L 0.0000 Buried
169 K L -0.4028 Soluble
170 V L 0.0000 Buried
171 D L -1.4346 Soluble
172 N L -1.2265 Soluble
173 A L -0.1608 Soluble
174 L L 0.7072 Aggregation-prone
175 Q L -0.1015 Soluble
176 S L -0.4602 Soluble
177 G L -0.8551 Soluble
178 N L -0.8659 Soluble
179 S L -1.1132 Soluble
180 Q L -1.2165 Soluble
181 E L -1.4342 Soluble
182 S L 0.0000 Buried
183 V L -0.6374 Soluble
184 T L -1.1100 Soluble
185 E L -2.2599 Soluble
186 Q L 0.0000 Buried
187 D L -2.1304 Soluble
188 S L -2.2416 Soluble
189 K L -2.5314 Soluble
190 D L -1.5966 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 -0.6428 Soluble
199 L L 0.0000 Buried
200 T L -0.4652 Soluble
201 L L -0.5193 Soluble
202 S L -0.8867 Soluble
203 K L -1.8640 Soluble
204 A L -1.5647 Soluble
205 D L -2.0914 Soluble
206 Y L 0.0000 Buried
207 E L -2.5675 Soluble
208 K L -3.0146 Soluble
209 H L -2.6284 Soluble
210 K L -2.5519 Soluble
211 V L -1.4251 Soluble
212 Y L 0.0000 Buried
213 A L -0.8199 Soluble
214 C L 0.0000 Buried
215 E L -0.6515 Soluble
216 V L 0.0000 Buried
217 T L -1.1901 Soluble
218 H L 0.0000 Buried
219 Q L -1.6107 Soluble
220 G L -0.4773 Soluble
221 L L -0.2231 Soluble
222 S L -0.4411 Soluble
223 S L -0.3881 Soluble
224 P L -0.4806 Soluble
225 V L 0.2413 Aggregation-prone
226 T L -0.3128 Soluble
227 K L -0.6035 Soluble
228 S L -0.7213 Soluble
229 F L 0.0000 Buried
230 N L -1.9270 Soluble
231 R L -1.8402 Soluble
232 G L -1.0897 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 -0.7522 2.0988 CSV PDB
4.5 -0.7966 2.0988 CSV PDB
5.0 -0.8488 2.0988 CSV PDB
5.5 -0.8977 2.0988 CSV PDB
6.0 -0.9315 2.0988 CSV PDB
6.5 -0.9414 2.0988 CSV PDB
7.0 -0.9283 2.0988 CSV PDB
7.5 -0.9008 2.0988 CSV PDB
8.0 -0.8657 2.0988 CSV PDB
8.5 -0.8251 2.0988 CSV PDB
9.0 -0.7784 2.0988 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH