Dataset

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RASPD Validation dataset

S.no.	PDBID	Expt_BE^#	Pred_BE^#
1	1a4w	-8.1	-10.2
2	1a9m	-9.4	-11.1
3	1afl	-8.5	-8.5
4	1apv	-12.4	-9.6
5	1ba8	-12.3	-8.7
6	1bdr	-9.1	-12
7	1bim	-12.1	-10.4
8	1bra	-2.5	-4.8
9	1c2t	-11.1	-9.7
10	1cbs	-9.8	-9.9
11	1d4l	-11.9	-12
12	1dmp	-13	-12.5
13	1dr1	-7.6	-5.9
14	1drf	-10.1	-8.8
15	1dwc	-10.1	-8.6
16	1dwd	-11.1	-10.2
17	1dy9	-10.3	-9.1
18	1ela	-8.7	-8.2
19	1epo	-10.9	-9.7
20	1hbv	-8.7	-11.6
21	1hge	-3.1	-4.1
22	1hgg	-3.4	-5.6
23	1hgh	-3.9	-4.3
24	1hgi	-3.7	-4.5
25	1hgj	-2.3	-3.1
26	1hri	-5.9	-7.2
27	1hvi	-13.7	-13.7
28	1hvk	-13.8	-14.3
29	1hvr	-13	-12.4
30	1hxw	-14.5	-13.5
31	1lyb	-15.6	-12.2
32	1mcb	-6.6	-6.8
33	1mch	-7	-7.8
34	1mcj	-5.2	-7.5
35	1mtw	-10.1	-8.2
36	1ola	-9.5	-9.4
37	1pgp	-7.8	-4.5
38	1qbr	-14.4	-14.9
39	1qbu	-14	-12.7
40	1rbp	-9.2	-9.9
41	1rgk	-5.9	-5.9
42	1rgl	-6	-5.4
43	1sre	-5.5	-6.3
44	1tlc	-11	-11.6
45	1tng	-4	-4.3
46	1tnj	-2.7	-4.1
47	1tnk	-2	-3.2
48	2acs	-2.8	-2.5
49	2cgr	-9.9	-7.1
50	2cmd	-6.2	-4.7
51	2msb	-3.9	-4.7
52	2wea	-8.4	-9.8
53	2wec	-6.8	-9.9
54	2ypi	-6.6	-4.4
55	4dfr	-13.2	-9.9
56	4est	-9.6	-9
57	4phv	-12.5	-11.1
58	4ts1	-7.6	-5.7
59	5hvp	-10.5	-13.1
60	5tim	-3.1	-4.7
61	7dfr	-10.1	-10.8
62	8gpb	-4.9	-7.1
63	1a4k	-6.8	-10.9
64	1a30	-5.8	-6
65	1aaq	-11.4	-12.4
66	1ae8	-9	-8.9
67	1afk	-9	-8.3
68	1ajv	-10.6	-12.3
69	1ajx	-10.9	-12.8
70	1anf	-7.4	-4.3
71	1apt	-12.8	-9.4
72	1apu	-10.5	-9.8
73	1apw	-11	-9.1
74	1b38	-9.4	-9.6
75	1b39	-9	-9.3
76	1b5g	-10.9	-10.1
77	1b6j	-10.8	-12.2
78	1b6k	-11.9	-13.2
79	1b6l	-11.3	-11.4
80	1b6m	-11.4	-12
81	1bb0	-11.4	-10.4
82	1bil	-12.6	-10.5
83	1bmm	-9.8	-8.4
84	1bmn	-11.6	-9.9
85	1bv7	-12.6	-15.1
86	1c5c	-9.5	-7.7
87	1c83	-6.6	-6.3
88	1c84	-6.8	-7.4
89	1c86	-7.1	-7.7
90	1c87	-6.6	-7
91	1c88	-8.9	-5.5
92	1c8k	-6.8	-7.4
93	1cf8	-8.2	-7.3
94	1com	-5.4	-5.3
95	1cqp	-6.6	-8
96	1ctr	-5.8	-7.4
97	1d3h	-6	-5.9
98	1d3p	-10.1	-10.7
99	1d4p	-8.6	-8.1
100	1dg5	-5.5	-7
101	1dhf	-10.1	-9.8
102	1dog	-5.5	-3
103	1dwb	-4	-4
104	1eap	-8.5	-7.2
105	1elc	-9.8	-9
106	1epp	-9.8	-11
107	1etr	-10.1	-8.7
108	1ets	-11.6	-10.9
109	1ett	-8.4	-7.8
110	1fax	-10.1	-9.9
111	1fkg	-8.8	-9
112	1flr	-6.3	-7.4
113	1g2k	-10.8	-12.5
114	1gno	-10.6	-9.9
115	1gpy	-6.4	-5
116	1hdt	-10.7	-8.4
117	1hew	-8.2	-8.6
118	1hih	-11	-12.3
119	1hii	-9.9	-12
120	1hiv	-12.6	-14
121	1hos	-11.7	-14.5
122	1hpo	-11.8	-10.8
123	1hps	-12.7	-14
124	1hpv	-12.6	-11.7
125	1hpx	-12.5	-12.4
126	1hrn	-10.9	-9
127	1hsg	-12.9	-12.6
128	1hsh	-11.7	-12.4
129	1hte	-7.7	-9.8
130	1htg	-13.2	-13.9
131	1hvh	-10.8	-12.9
132	1hvj	-14.3	-12.8
133	1hvl	-12.3	-13.9
134	1hxb	-13.5	-12.6
135	1ida	-11.9	-14.7
136	1mcf	-7	-8
137	1mcs	-6.6	-7.7
138	1nnb	-5.5	-6.5
139	1nsd	-7.2	-6.8
140	1phh	-4	-4.5
141	1ppc	-8.8	-9.5
142	1pph	-8.5	-7.2
143	1qbt	-14.5	-16.3
144	1tmt	-8.5	-7.7
145	1tnh	-4.6	-3
146	1tni	-2.3	-3.7
147	1tnl	-2.6	-4.2
148	1tph	-3.1	-4
149	1ulb	-2.8	-4.5
150	1uvs	-7.4	-8
151	2ifb	-7.4	-9.1
152	2upj	-10.1	-13.1
153	2web	-7	-9.7
154	3cla	-6	-5.7
155	3ptb	-6.5	-4.6
156	4hmg	-3.5	-3.9
157	5cna	-2.7	-3.8
158	7gpb	-7.5	-7.6
159	1a4q	-11.8	-12.6
160	1ac4	-3.8	-4.1
161	1aco	-5.2	-7.3
162	1aeb	-4.8	-3.9
163	1aee	-4	-3.1
164	1ai4	-3.5	-4.1
165	1ai5	-5.1	-4.6
166	1ai6	-5.5	-4.6
167	1ajn	-3.6	-4.5
168	1ajp	-3.1	-4.3
169	1apb	-7.9	-4.8
170	1b9t	-7	-7
171	1c85	-6.4	-5.9
172	1c9d	-8.7	-6.7
173	1cdg	-3.3	-3.9
174	1cpi	-10.1	-12.3
175	1csc	-9.8	-11.8
176	1ctt	-6.2	-5.2
177	1cvu	-10.8	-8
178	1cw2	-8.5	-7.3
179	1cx2	-10.9	-9.4
180	1cx9	-9.3	-7.2
181	1d3t	-7.8	-10.4
182	1die	-2.9	-3.4
183	1elb	-9.8	-8.8
184	1eld	-9.1	-7.9
185	1ele	-9.3	-7.7
186	1ent	-9.6	-11.7
187	1enu	-7	-4.2
188	1ezq	-12.5	-9.1
189	1f0r	-10.6	-8.9
190	1f0t	-8.3	-8.2
191	1f0u	-9.9	-9
192	1htf	-11	-12.4
193	1imb	-5.7	-4.6
194	1ivf	-6.7	-7
195	1k1l	-9.6	-8.5
196	1k1n	-8.8	-10.3
197	1mrk	-6.2	-4.4
198	1pdz	-5	-4.4
199	1ppk	-10.4	-11
200	1pso	-14.1	-11.8
201	1rne	-11.9	-12.6
202	1snc	-9.2	-6.1
203	2ak3	-5.2	-6.4
204	2er7	-12.3	-12.8
205	2mcp	-7.1	-4.9
206	2pk4	-5.9	-4.2
207	2r04	-8.5	-9.6
208	2sim	-8.8	-6.7
209	3er5	-12.4	-11.5
210	4er2	-11	-11.4
211	5enl	-5.2	-5.3
212	6enl	-4.1	-5.1
213	6rnt	-8.7	-6.3
214	6tim	-4.4	-4.9
215	9hvp	-11.4	-14.2
216	1E2J	-7.2	-4.5
217	1G6N	-10.3	-7.9
218	1HXD	-9.9	-7.8
219	1K1J	-10.4	-8.9
220	2EWN	-14	-12.9
221	2IKG	-8.5	-8
222	2IKH	-7.5	-6.3
223	2IKJ	-10	-8.6
224	1ECM	-7.6	-6.2
225	10GS	-8.7	-8.2
226	1AVN	-5.3	-2.4
227	1JYS	-4.8	-4
228	1P1Q	-6.7	-5
229	1PB9	-4.9	-4.3
230	1UTP	-2	-3.4
231	1Y1M	-2.5	-4.1
232	1GIC	-5.5	-3.6
233	1FDQ	-10.1	-8.5
234	1KZN	-9.8	-11.6
235	1HWI	-9	-10.2
236	1HWL	-12.3	-11.1
237	1RD4	-10.7	-11.9
238	2I4Q	-9.3	-8.1
239	2IKO	-7.5	-5.9
240	2IKU	-9.8	-8.5
241	2IL2	-9.8	-10.2
242	1A69	-7.2	-6.4
243	1BCU	-4.5	-4.1
244	1F5K	-5.1	-3.3
245	1FCX	-9.8	-10.3
246	1J17	-7.1	-8.4
247	1JQD	-7	-6.7
248	1NC1	-8.4	-7.9
249	1PR5	-5.3	-6
250	1ZS0	-8.4	-9.4
251	2B1V	-7.8	-6
252	2BRB	-6.6	-8
253	2GSS	-6.7	-6.4
254	3GSS	-7.9	-5.1
255	1J16	-5.2	-4.8
256	1KV5	-5.8	-3.6
257	1XPO	-6	-6.9
258	1YV5	-8.8	-7.3
259	2FLB	-7.8	-6.5
260	2FQW	-8.9	-6.6
261	2FQY	-8.8	-7.3
262	1bma	-6.3	-9.5
263	1d3d	-12.6	-10.7
264	1hdc	-8.2	-9.9
265	1nis	-4.1	-6.8
266	1nsc	-4.1	-6.3
267	2abh	-8.9	-6.8
268	7tim	-7.3	-4.8
269	1LOQ	-5	-6.3
270	1TRD	-7.4	-4.9
271	1U88	-7.8	-7.8
272	2AB2	-11.8	-10.1
273	1FPU	-10.1	-11
274	2G2H	-8.2	-10.3
275	1G3B	-6.4	-3.1
276	1G36	-8.7	-9.3
277	1GHZ	-6.5	-4.3
278	1GI1	-7.4	-5
279	1GI6	-7.4	-5.5
280	1K1I	-9	-8.3
281	1CE5	-6.5	-4.3
282	1C5P	-6.4	-3.4
283	1NHB	-5.8	-4.1
284	182L	-5.5	-3.3
285	184L	-6.5	-3.8
286	2QWC	-4.9	-6.3
287	2QWD	-6.7	-6.1
288	1DI8	-8.3	-9.7
289	1E1V	-6.8	-8.7
290	1E1X	-8.1	-8.4
291	1GIH	-9.7	-9
292	1NVR	-11.2	-10.2
293	1A50	-8.6	-6.8
294	1ABE	-8.9	-5.1
295	1ADD	-9.2	-6.8
296	1ADL	-9.2	-8.1
297	1BIR	-7.2	-6.6
298	1CLA	-7.2	-4.7
299	1CSC	-2.2	-3.1
300	1D3Q	-7.4	-10.2
301	1FBC	-8.5	-6.6
302	1FBF	-8.2	-5.9
303	1FEL	-9.2	-11.3
304	1FKF	-12	-11.2
305	1HBP	-9.8	-9.9
306	1HNL	-5.1	-5.7
307	1LDM	-7.4	-11.1
308	1LGR	-4.2	-7.3
309	1MFA	-5.8	-5.5
310	1MFE	-7.2	-4.8
311	1RNT	-7.1	-6.6
312	1RUS	-4.2	-3.8
313	1XIG	-4.5	-3.4
314	1XLI	-2	-3
315	2CSC	-4.6	-4.3
316	2DBL	-11.9	-7.9
317	2PHH	-6.3	-4.5
318	2QWF	-6.5	-8
319	2RNT	-5.2	-7.7
320	2XIM	-3.1	-3.6
321	3PGM	-4.4	-4.9
322	4CLA	-7.5	-5.6
323	4TIM	-2.9	-4.1
324	5YAS	-4.4	-2.9
325	8RSA	-5.9	-7
326	8XIA	-4	-3.3
327	9LDT	-6.5	-3
328	9RUB	-6.4	-4.4
329	2AYR	-12.7	-12
330	2R6W	-12.8	-12.8
331	2R6Y	-12.9	-12.2
332	1FKH	-11.1	-8.9
333	1FM9	-12.3	-11.1
334	1KSN	-12.8	-9.6
335	1PRO	-15.4	-13.1
336	2SIM	-4.7	-6.6
337	1SBG	-10.6	-11.2
338	1XKA	-9.4	-8.4
339	1FKI	-9.5	-6.4
340	1J4R	-10.5	-10.8
341	1G2L	-9.9	-10.5
342	1XKB	-9.4	-7.9
343	1acj	-10.1	-6.2
344	1f3e	-9.2	-4
345	2gbp	-10.4	-5.4
346	1acm	-10.3	-5.7
347	1L83	-5.3	-2.1
348	1ABF	-7.4	-4.8
349	1bv9	-12.2	-14.8
350	2FVD	-11.6	-10.4
351	3LFS	-7.6	-9.6
352	2XMY	-13.6	-12.6
353	1ivb	-4.1	-7.4
354	3er3	-9.7	-13
355	1b9s	-4.4	-9.5
356	1b9v	-5	-9.4
357	1bwb	-10.1	-15.3
358	1ghb	-1.7	-6.4
359	1ppm	-7.9	-11.7
360	1bwa	-10.3	-15.1
361	1eed	-6.5	-10.8
362	2PHH	-4.6	-9.3
363	4SLI	-4.1	-8
364	4MDH	-4.4	-10.7
365	2LDB	-5.7	-10.7
366	5ER2	-9	-12.7
367	1V1K	-6.1	-10.9
368	3LFN	-7.5	-12.4
369	1A46	-7.8	-9.1
370	1A5G	-13.8	-9
371	1ADB	-11.5	-11.8
372	1AF2	-4.2	-4.9
373	1BAP	-9.3	-4.5
374	1BBZ	-7.9	-10.5
375	1BHF	-6	-9.7
376	1BXO	-13.6	-11.8
377	1BZM	-8.2	-5
378	1CBX	-8.7	-6.4
379	1E96	-7.1	-7
380	1EXW	-5.3	-10.1
381	1FKB	-13.2	-12
382	1FMO	-11.8	-6.4
383	1HSL	-10	-4
384	1INC	-10.9	-5.8
385	1MNC	-12.3	-7.6
386	1STA	-7.3	-5.4
387	1TET	-8.5	-2
388	1TLP	-10.3	-9.4
389	1TMN	-10.2	-10.4
390	1YYY	-6.9	-5.6
391	1ZZZ	-7	-5.7
392	2CTC	-5.3	-5.9
393	2QWB	-3.7	-3.8
394	2QWE	-10.2	-6.6
395	2QWG	-11.5	-8
396	2SNS	-9.1	-5.6
397	2TMN	-8	-4.5
398	2XIS	-7.9	-2.6
399	3CPA	-5.5	-6
400	3FX2	-12.7	-7.3
401	3TMN	-8	-6.8
402	4SGA	-10	-7.8
403	4TLN	-5.1	-4.1
404	4XIA	-2.1	-4
405	5ABP	-9.1	-5.2
406	5P21	-7.3	-8.8
407	5SGA	-3.9	-7.8
408	5TLN	-8.7	-7.9
409	6ABP	-7.7	-4.5
410	7ABP	-7.6	-4.8
411	7EST	-10.4	-7.1
412	7TLN	-3.4	-5.3
413	8ABP	-5.5	-4.6
414	9AAT	-11.2	-6.6
415	9ABP	-10.9	-5.2

^#Experimental binding free energy (in kcal/mol).
^#Predicted binding free energy (in kcal/mol).