Gevokizumab / 4g6k

A4DAB129_4g6k_H_L | Source PDB: 4g6k | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6964
Max Score
1.1494
Min Score
-3.7278
Total Score
-300.85
Score CDR
—
Score non-CDR
—

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSQTLSLTCSFSGFSLSTSGMGVGWIRQPSGKGLEWLAHIWWDGDESYNPSLKSRLTISKDTSKNQVSLKITSVTAADTAVYFCARNRYDPPWFVDWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPDIQMTQSTSSLSASVGDRVTITCRASQDISNYLSWYQQKPGKAVKLLIYYTSKLHSGVPSRFSGSGSGTDYTLTISSLQQEDFATYFCLQGKMLPWTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.7278
Maximum Score 1.1494
Average Score -0.6964
Total Score -300.8481

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

Index Residue Chain A4D Score Classification
1 Q H -1.4995 Soluble
2 V H -1.0858 Soluble
3 Q H -1.8458 Soluble
4 L H 0.0000 Buried
5 Q H -1.3735 Soluble
6 E H 0.0000 Buried
7 S H -0.5724 Soluble
8 G H -0.4667 Soluble
9 P H -0.3799 Soluble
11 G H -0.3833 Soluble
12 L H -0.2929 Soluble
13 V H 0.0000 Buried
14 K H -1.8639 Soluble
15 P H -1.2944 Soluble
16 S H -1.2146 Soluble
17 Q H -1.6116 Soluble
18 T H -1.1532 Soluble
19 L H 0.0000 Buried
20 S H -0.7925 Soluble
21 L H 0.0000 Buried
22 T H -0.6189 Soluble
23 C H 0.0000 Buried
24 S H -1.2206 Soluble
25 F H 0.0000 Buried
26 S H -1.1527 Soluble
27 G H -0.9691 Soluble
28 F H -0.4417 Soluble
29 S H -0.4539 Soluble
30 L H 0.0000 Buried
31 S H -0.6245 Soluble
34 T H -0.4453 Soluble
35 S H -0.4004 Soluble
36 G H 0.0000 Buried
37 M H 0.0000 Buried
38 G H 0.0000 Buried
39 V H 0.0000 Buried
40 G H 0.0000 Buried
41 W H 0.0000 Buried
42 I H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.7561 Soluble
45 P H -0.8503 Soluble
46 S H -0.9628 Soluble
47 G H -1.4466 Soluble
48 K H -2.3549 Soluble
49 G H -1.5788 Soluble
50 L H 0.0000 Buried
51 E H -0.8544 Soluble
52 W H 0.0000 Buried
53 L H 0.0000 Buried
54 A H 0.0000 Buried
55 H H 0.0000 Buried
56 I H 0.0000 Buried
57 W H 0.0000 Buried
58 W H -1.2678 Soluble
59 D H -2.4643 Soluble
63 G H -2.3042 Soluble
64 D H -3.1110 Soluble
65 E H -2.6140 Soluble
66 S H -0.8721 Soluble
67 Y H -0.2116 Soluble
68 N H -0.2873 Soluble
69 P H -0.7809 Soluble
70 S H -0.8945 Soluble
71 L H 0.0000 Buried
72 K H -1.9481 Soluble
74 S H -1.1970 Soluble
75 R H -1.1586 Soluble
76 L H -0.7300 Soluble
77 T H -0.6596 Soluble
78 I H 0.0000 Buried
79 S H -1.2101 Soluble
80 K H -1.3225 Soluble
81 D H -1.9821 Soluble
82 T H -1.4565 Soluble
83 S H -1.5640 Soluble
84 K H -2.4545 Soluble
85 N H -1.7959 Soluble
86 Q H -1.7196 Soluble
87 V H 0.0000 Buried
88 S H -0.7577 Soluble
89 L H 0.0000 Buried
90 K H -1.1530 Soluble
91 I H 0.0000 Buried
92 T H -0.8583 Soluble
93 S H -0.9572 Soluble
94 V H 0.0000 Buried
95 T H -0.5473 Soluble
96 A H -0.2028 Soluble
97 A H 0.0451 Aggregation-prone
98 D H 0.0000 Buried
99 T H 0.0825 Aggregation-prone
100 A H 0.0000 Buried
101 V H 0.1772 Aggregation-prone
102 Y H 0.0000 Buried
103 F H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H -0.4684 Soluble
107 N H 0.0000 Buried
108 R H -0.5610 Soluble
109 Y H 0.0227 Aggregation-prone
110 D H -1.3727 Soluble
112 P H 0.0000 Buried
113 P H 0.0000 Buried
114 W H 0.1891 Aggregation-prone
115 F H 0.0000 Buried
116 V H -0.1486 Soluble
117 D H -0.7747 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.9483 Soluble
121 G H -0.9554 Soluble
122 T H -0.3340 Soluble
123 L H 0.0585 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.6626 Soluble
128 S H -0.7824 Soluble
129 A H -0.5084 Soluble
130 S H -0.6286 Soluble
131 T H -0.7641 Soluble
132 K H -1.2540 Soluble
133 G H -1.4009 Soluble
134 P H 0.0000 Buried
135 S H -0.6001 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1594 Soluble
139 L H 0.0000 Buried
140 A H -0.8539 Soluble
141 P H 0.0000 Buried
142 S H -0.9757 Soluble
143 S H -1.1912 Soluble
144 K H -1.9356 Soluble
145 S H -1.0941 Soluble
146 T H -0.9951 Soluble
147 S H -1.0453 Soluble
148 G H -0.7878 Soluble
149 G H -0.6088 Soluble
150 T H -0.4143 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 -0.4099 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.3902 Soluble
164 P H -0.6686 Soluble
165 V H -0.6384 Soluble
166 T H -0.6135 Soluble
167 V H -0.0492 Soluble
168 S H -0.2757 Soluble
169 W H 0.0000 Buried
170 N H -0.6709 Soluble
171 S H -0.5532 Soluble
172 G H -0.5661 Soluble
173 A H -0.2477 Soluble
174 L H -0.0399 Soluble
175 T H -0.1840 Soluble
176 S H -0.3943 Soluble
177 G H -0.4132 Soluble
178 V H 0.1575 Aggregation-prone
179 H H 0.0000 Buried
180 T H 0.0950 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.3659 Soluble
183 A H 0.2171 Aggregation-prone
184 V H 0.4920 Aggregation-prone
185 L H 1.1494 Aggregation-prone
186 Q H 0.2581 Aggregation-prone
187 S H -0.0974 Soluble
188 S H -0.2511 Soluble
189 G H -0.0191 Soluble
190 L H 0.1273 Aggregation-prone
191 Y H 0.4311 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.1726 Aggregation-prone
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 -0.1333 Soluble
199 V H 0.0000 Buried
200 P H -0.5179 Soluble
201 S H -0.7933 Soluble
202 S H -0.7038 Soluble
203 S H -0.6688 Soluble
204 L H -0.8958 Soluble
205 G H -1.0722 Soluble
206 T H -0.7143 Soluble
207 Q H -1.2029 Soluble
208 T H -1.1662 Soluble
209 Y H 0.0000 Buried
210 I H -1.1706 Soluble
211 C H 0.0000 Buried
212 N H -1.1780 Soluble
213 V H 0.0000 Buried
214 N H -1.9517 Soluble
215 H H 0.0000 Buried
216 K H -2.7498 Soluble
217 P H -1.6368 Soluble
218 S H -1.8602 Soluble
219 N H -2.6551 Soluble
220 T H -2.0818 Soluble
221 K H -2.5994 Soluble
222 V H -1.4176 Soluble
223 D H -1.7213 Soluble
224 K H -1.9034 Soluble
225 R H -2.5483 Soluble
226 V H 0.0000 Buried
227 E H -2.5551 Soluble
228 P H -1.2280 Soluble
1 D L -1.9759 Soluble
2 I L 0.0000 Buried
3 Q L -2.0960 Soluble
4 M L 0.0000 Buried
5 T L -1.4617 Soluble
6 Q L 0.0000 Buried
7 S L -0.7624 Soluble
8 T L -0.4987 Soluble
9 S L -0.7372 Soluble
10 S L -0.5413 Soluble
11 L L -0.1754 Soluble
12 S L -0.6654 Soluble
13 A L 0.0000 Buried
14 S L -0.8479 Soluble
15 V L -0.0174 Soluble
16 G L -0.7825 Soluble
17 D L -1.8101 Soluble
18 R L -2.3048 Soluble
19 V L 0.0000 Buried
20 T L -0.6343 Soluble
21 I L 0.0000 Buried
22 T L -0.7621 Soluble
23 C L 0.0000 Buried
24 R L -2.8207 Soluble
25 A L 0.0000 Buried
26 S L -2.1271 Soluble
27 Q L -2.5578 Soluble
28 D L -2.7454 Soluble
29 I L 0.0000 Buried
36 S L -0.9680 Soluble
37 N L -0.6100 Soluble
38 Y L -0.0674 Soluble
39 L L 0.0000 Buried
40 S 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 -1.1524 Soluble
45 K L -1.6893 Soluble
46 P L -1.3883 Soluble
47 G L -1.7983 Soluble
48 K L -2.5306 Soluble
49 A L -1.8483 Soluble
50 V L 0.0000 Buried
51 K L -1.4916 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.4008 Aggregation-prone
56 Y L 0.5899 Aggregation-prone
57 T L 0.0000 Buried
65 S L -0.6563 Soluble
66 K L -1.0670 Soluble
67 L L -0.1904 Soluble
68 H L -0.4475 Soluble
69 S L -0.4863 Soluble
70 G L -0.5584 Soluble
71 V L 0.0000 Buried
72 P L -0.3938 Soluble
74 S L -0.4060 Soluble
75 R L -0.8023 Soluble
76 F L 0.0000 Buried
77 S L -0.5289 Soluble
78 G L 0.0000 Buried
79 S L -0.7249 Soluble
80 G L -1.0345 Soluble
83 S L -1.0349 Soluble
84 G L -1.6850 Soluble
85 T L -2.1447 Soluble
86 D L -2.2218 Soluble
87 Y L 0.0000 Buried
88 T L -0.6965 Soluble
89 L L 0.0000 Buried
90 T L -0.5989 Soluble
91 I L 0.0000 Buried
92 S L -1.3349 Soluble
93 S L -1.0995 Soluble
94 L L 0.0000 Buried
95 Q L -0.8688 Soluble
96 Q L -1.7808 Soluble
97 E L -2.0800 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.8409 Soluble
102 Y L 0.0000 Buried
103 F L 0.0000 Buried
104 C L 0.0000 Buried
105 L L 0.0000 Buried
106 Q L 0.0000 Buried
107 G L -0.2684 Soluble
108 K L -1.0963 Soluble
109 M L 0.0495 Aggregation-prone
114 L L 0.5277 Aggregation-prone
115 P L 0.0000 Buried
116 W L 0.0000 Buried
117 T L -0.6142 Soluble
118 F L -0.4434 Soluble
119 G L 0.0000 Buried
120 Q L -1.7214 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.2982 Soluble
124 L L 0.0000 Buried
125 E L -1.1193 Soluble
126 I L 0.0000 Buried
127 K L -1.3756 Soluble
128 R L -0.9539 Soluble
129 T L -0.1307 Soluble
130 V L 0.3893 Aggregation-prone
131 A L 0.1661 Aggregation-prone
132 A L -0.0950 Soluble
133 P L 0.0000 Buried
134 S L -0.1429 Soluble
135 V L 0.0000 Buried
136 F L 0.0135 Aggregation-prone
137 I L 0.0203 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5967 Soluble
140 P L 0.0000 Buried
141 S L -1.5627 Soluble
142 D L -2.8528 Soluble
143 E L -2.7948 Soluble
144 Q L 0.0000 Buried
145 L L -2.1694 Soluble
146 K L -2.7580 Soluble
147 S L -1.7178 Soluble
148 G L -1.3276 Soluble
149 T L -0.9303 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 -0.6850 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6159 Soluble
162 R L -2.5444 Soluble
163 E L -3.0667 Soluble
164 A L -2.2543 Soluble
165 K L -2.2501 Soluble
166 V L -1.1125 Soluble
167 Q L -0.6334 Soluble
168 W L 0.0000 Buried
169 K L -0.5283 Soluble
170 V L 0.0000 Buried
171 D L -1.6622 Soluble
172 N L -1.2548 Soluble
173 A L -0.2535 Soluble
174 L L 0.5580 Aggregation-prone
175 Q L -0.4367 Soluble
176 S L -0.7584 Soluble
177 G L -1.3350 Soluble
178 N L -1.7171 Soluble
179 S L -1.5340 Soluble
180 Q L -1.4809 Soluble
181 E L -1.9036 Soluble
182 S L -0.8259 Soluble
183 V L -0.9498 Soluble
184 T L -0.9354 Soluble
185 E L -1.8707 Soluble
186 Q L 0.0000 Buried
187 D L -1.8113 Soluble
188 S L -2.0530 Soluble
189 K L -2.5048 Soluble
190 D L -1.8222 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 -0.7167 Soluble
199 L L 0.0000 Buried
200 T L -0.5705 Soluble
201 L L -0.7759 Soluble
202 S L -1.2292 Soluble
203 K L -2.2116 Soluble
204 A L -2.1018 Soluble
205 D L -3.0921 Soluble
206 Y L 0.0000 Buried
207 E L -3.7278 Soluble
208 K L -3.6644 Soluble
209 H L -2.9721 Soluble
210 K L -3.0474 Soluble
211 V L -1.5246 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6765 Soluble
216 V L 0.0000 Buried
217 T L -1.2246 Soluble
218 H L 0.0000 Buried
219 Q L -1.6987 Soluble
220 G L -0.4037 Soluble
221 L L -0.2323 Soluble
222 S L -0.4638 Soluble
223 S L -0.4253 Soluble
224 P L -0.5191 Soluble
225 V L 0.0192 Aggregation-prone
226 T L -0.4644 Soluble
227 K L -0.7280 Soluble
228 S L -0.7475 Soluble
229 F L -1.0323 Soluble
230 N L -2.1546 Soluble
231 R L -2.2704 Soluble
232 G L -1.6189 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 -0.7923 2.2173 CSV PDB
4.5 -0.8311 2.1659 CSV PDB
5.0 -0.8754 2.0861 CSV PDB
5.5 -0.9162 1.9903 CSV PDB
6.0 -0.943 1.8939 CSV PDB
6.5 -0.9475 1.8122 CSV PDB
7.0 -0.9295 1.7584 CSV PDB
7.5 -0.8966 1.7366 CSV PDB
8.0 -0.8553 1.7963 CSV PDB
8.5 -0.8074 1.8846 CSV PDB
9.0 -0.7526 1.9707 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH