Comparison of CABS Dynamics with Molecular Dynamics

Using data deposited in the MoDEL database, we selected proteins satisfying the following conditions:

• sequence identity: < 30%,
• chain length: < 400 aa,
• single chain in the trajectory,
• simulation length: 10ns,

to get total of 393 Cα trajectories. Force-field for all MD trajectories: parm99, simulated using AMBER 8.0 (except of few trajectories simulated with NAMD 2.5/2.6).

#	PDB ID	rs	RMS	Chain length	CATH Class Architecture	CABS trajectory
1.	1QHD	0.70	3.14	397	Mainly Alpha, Orthogonal Bundle
2.	1NOF	0.71	3.22	383	Mainly Beta, Sandwich
3.	1ATR	0.67	3.27	383	Alpha Beta, 2-Layer Sandwich
4.	1CS6	0.70	3.42	382	Mainly Beta, Sandwich
5.	1O5T	0.64	2.74	378	Alpha Beta, 3-Layer(aba) Sandwich
6.	1BHE	0.71	2.76	376	Mainly Beta, 3 Solenoid
7.	1ATU	0.72	3.35	374	Alpha Beta, 2-Layer Sandwich
8.	1QLJ	0.59	3.52	374	Alpha Beta, Alpha-Beta Complex
9.	1D2P	0.29	28.14	373	Mainly Beta, Sandwich
10.	1PUD	0.69	2.03	372	Alpha Beta, Alpha-Beta Barrel
11.	3MBP	0.55	2.47	370	Alpha Beta, 3-Layer(aba) Sandwich
12.	2CHR	0.57	2.21	370	Alpha Beta, 2-Layer Sandwich
13.	1UE8	0.44	3.78	367	Mainly Alpha, Orthogonal Bundle
14.	4THI	0.69	2.75	362	Alpha Beta, 3-Layer(aba) Sandwich
15.	1EUR	0.75	4.74	361	Mainly Beta, 6 Propellor
16.	1PJB	0.72	3.55	361	Alpha Beta, 3-Layer(aba) Sandwich
17.	1JDW	0.62	2.28	360	Alpha Beta, 5-stranded Propeller
18.	1QCX	0.72	3.94	359	Mainly Beta, 3 Solenoid
19.	1GTG	0.71	2.79	357	Alpha Beta, 3-Layer(aba) Sandwich
20.	1H6L	0.77	4.28	353	Mainly Beta, 6 Propellor
21.	1AIR	0.81	3.23	352	Mainly Beta, 3 Solenoid
22.	1QAZ	0.72	5.31	351	Mainly Alpha, Alpha/alpha barrel
23.	1FPS	0.71	2.99	348	Mainly Alpha, Orthogonal Bundle
24.	1E5W	0.63	4.70	346	Alpha Beta, Roll
25.	1G2U	0.82	7.17	345	Alpha Beta, 3-Layer(aba) Sandwich
26.	2LIV	0.60	2.61	344	Alpha Beta, 3-Layer(aba) Sandwich
27.	1YFQ	0.88	7.14	342	Mainly Beta, 7 Propellor
28.	1GS6	0.72	8.14	336	Mainly Beta, Sandwich
29.	1NE9	0.66	3.42	335	Alpha Beta, 3-Layer(aba) Sandwich
30.	1DXH	0.80	3.75	335	Alpha Beta, 3-Layer(aba) Sandwich
31.	1FSZ	0.73	8.12	334	Alpha Beta, 3-Layer(aba) Sandwich
32.	1FOB	0.70	2.95	334	Alpha Beta, Alpha-Beta Barrel
33.	1B63	0.69	11.59	333	Alpha Beta, 2-Layer Sandwich
34.	1XDW	0.78	5.89	331	Alpha Beta, 3-Layer(aba) Sandwich
35.	1VC2	0.83	4.72	331	Alpha Beta, 3-Layer(aba) Sandwich
36.	1BG2	0.77	8.81	323	Alpha Beta, 3-Layer(aba) Sandwich
37.	2PIA	0.66	2.77	321	Mainly Beta, Beta Barrel
38.	1IXH	0.30	2.26	321	Alpha Beta, 3-Layer(aba) Sandwich
39.	1HQD	0.58	3.14	320	Alpha Beta, 3-Layer(aba) Sandwich
40.	1KKH	0.83	2.68	317	Alpha Beta, 2-Layer Sandwich
41.	1QLM	0.74	2.21	316	Alpha Beta, Roll
42.	1AS0	0.55	3.54	313	Alpha Beta, 3-Layer(aba) Sandwich
43.	1D9V	0.58	2.39	309	Alpha Beta, 3-Layer(aba) Sandwich
44.	1SBP	0.59	2.34	309	Alpha Beta, 3-Layer(aba) Sandwich
45.	1M4L	0.61	3.45	307	Alpha Beta, 3-Layer(aba) Sandwich
46.	1PA2	0.67	3.72	306	Mainly Alpha, Orthogonal Bundle
47.	1GHR	0.71	3.40	306	Alpha Beta, Alpha-Beta Barrel
48.	1BQC	0.63	3.45	302	Alpha Beta, Alpha-Beta Barrel
49.	1NQ6	0.54	3.00	302	Alpha Beta, Alpha-Beta Barrel
50.	1EZM	0.56	3.62	298	Alpha Beta, Roll
51.	1AUA	0.76	3.04	296	Mainly Alpha, Orthogonal Bundle
52.	1FTS	0.63	2.74	295	Mainly Alpha, Up-down Bundle
53.	1HQ0	0.78	4.13	295	Alpha Beta, 4-Layer Sandwich
54.	1K5P	0.52	2.79	295	Alpha Beta, 3-Layer(aba) Sandwich
55.	1JDR	0.70	3.45	294	Mainly Alpha, Orthogonal Bundle
56.	1C3D	0.51	2.56	294	Mainly Alpha, Alpha/alpha barrel
57.	1ORB	0.76	5.65	293	Alpha Beta, 3-Layer(aba) Sandwich
58.	1KS9	0.62	2.16	291	Alpha Beta, 3-Layer(aba) Sandwich
59.	1NAR	0.74	4.26	289	Alpha Beta, Alpha-Beta Barrel
60.	1XSM	0.68	5.20	288	Mainly Alpha, Orthogonal Bundle
61.	1TIS	0.81	5.30	286	Alpha Beta, 2-Layer Sandwich
62.	2EBN	0.67	3.28	285	Alpha Beta, Alpha-Beta Barrel
63.	1QTW	0.65	3.13	285	Alpha Beta, Alpha-Beta Barrel
64.	1CFR	0.71	4.26	283	Alpha Beta, 3-Layer(aba) Sandwich
65.	1YTN	0.65	3.95	283	Alpha Beta, Alpha-Beta Complex
66.	1AJ2	0.71	2.73	282	Alpha Beta, Alpha-Beta Barrel
67.	1IC6	0.73	2.25	279	Alpha Beta, 3-Layer(aba) Sandwich
68.	1T6K	0.81	2.78	278	Alpha Beta, Roll
69.	1PHK	0.71	4.69	277	Alpha Beta, 2-Layer Sandwich
70.	1BRT	0.54	3.20	277	Alpha Beta, 3-Layer(aba) Sandwich
71.	1JKW	0.59	3.94	277	Mainly Alpha, Orthogonal Bundle
72.	1K0F	0.72	3.27	277	Alpha Beta, 3-Layer(aba) Sandwich
73.	1JE6	0.70	2.69	275	Alpha Beta, 2-Layer Sandwich
74.	2PLC	0.45	2.58	274	Alpha Beta, Alpha-Beta Barrel
75.	1BWZ	0.80	2.82	274	Alpha Beta, Roll
76.	2DRI	0.59	2.08	271	Alpha Beta, 3-Layer(aba) Sandwich
77.	1TIB	0.67	2.39	269	Alpha Beta, 3-Layer(aba) Sandwich
78.	1AKO	0.71	3.15	268	Alpha Beta, 4-Layer Sandwich
79.	1CD5	0.74	3.10	266	Alpha Beta, 3-Layer(aba) Sandwich
80.	1C8Z	0.86	6.00	265	Alpha Beta, Alpha-Beta Barrel
81.	1MAT	0.63	2.51	263	Alpha Beta, Alpha-Beta Complex
82.	1SKF	0.75	2.71	262	Alpha Beta, 3-Layer(aba) Sandwich
83.	1LXA	0.60	3.85	262	Mainly Beta, 3 Solenoid
84.	1PLR	0.69	3.21	258	Alpha Beta, Box
85.	1KGE	0.73	2.64	257	Alpha Beta, 3-Layer(aba) Sandwich
86.	1BG5	0.87	19.97	254	Alpha Beta, 3-Layer(aba) Sandwich
87.	1LP8	0.74	2.61	254	Alpha Beta, 3-Layer(aba) Sandwich
88.	1THF	0.71	2.47	253	Alpha Beta, Alpha-Beta Barrel
89.	1VIN	0.71	2.11	252	Mainly Alpha, Orthogonal Bundle
90.	1GQN	0.68	2.65	252	Alpha Beta, Alpha-Beta Barrel
91.	1NXQ	0.73	4.01	251	Alpha Beta, 3-Layer(aba) Sandwich
92.	1MML	0.55	2.82	251	Alpha Beta, 2-Layer Sandwich
93.	1QWG	0.72	2.62	251	Alpha Beta, Alpha-Beta Barrel
94.	1HCZ	0.63	4.13	250	Mainly Beta, Sandwich
95.	1P4X	0.77	3.73	250	Mainly Alpha, Orthogonal Bundle
96.	1MRJ	0.71	2.99	247	Alpha Beta, 3-Layer(aba) Sandwich
97.	1QTS	0.71	9.02	247	Mainly Beta, Sandwich
98.	1AH7	0.67	2.79	245	Mainly Alpha, Orthogonal Bundle
99.	1S2O	0.65	2.85	244	Alpha Beta, 3-Layer(aba) Sandwich
100.	2BAA	0.75	4.58	243	Mainly Alpha, Orthogonal Bundle
101.	1DUA	0.71	4.83	242	Mainly Beta, Beta Barrel
102.	1AL3	0.69	2.40	237	Alpha Beta, 3-Layer(aba) Sandwich
103.	1G3Q	0.71	1.93	237	Alpha Beta, 3-Layer(aba) Sandwich
104.	1Z33	0.76	3.64	235	Alpha Beta, 3-Layer(aba) Sandwich
105.	1LRV	0.60	3.40	233	Mainly Alpha, Alpha Horseshoe
106.	1FX4	0.83	4.33	231	Alpha Beta, 2-Layer Sandwich
107.	1CBY	0.82	21.53	227	Alpha Beta, 3-Layer(aba) Sandwich
108.	1G8A	0.74	2.89	227	Alpha Beta, 2-Layer Sandwich
109.	1TJE	0.71	2.87	224	Alpha Beta, Roll
110.	1G62	0.65	2.34	224	Alpha Beta, 5-stranded Propeller
111.	1DPO	0.74	3.01	223	Mainly Beta, Beta Barrel
112.	1AKZ	0.52	2.66	223	Alpha Beta, 3-Layer(aba) Sandwich
113.	1BOL	0.68	4.35	222	Alpha Beta, Alpha-Beta Complex
114.	1OA4	0.78	2.33	222	Mainly Beta, Sandwich
115.	1RC9	0.78	8.62	221	Alpha Beta, 3-Layer(aba) Sandwich
116.	1O08	0.67	2.05	221	Alpha Beta, 3-Layer(aba) Sandwich
117.	1JUD	0.35	2.53	220	Alpha Beta, 3-Layer(aba) Sandwich
118.	1AK2	0.71	4.07	220	Alpha Beta, 3-Layer(aba) Sandwich
119.	1GPC	0.76	3.42	218	Alpha Beta, Alpha-Beta Complex
120.	1JFX	0.67	2.69	217	Alpha Beta, Alpha-Beta Barrel
121.	1AW9	0.77	5.92	216	Alpha Beta, 3-Layer(aba) Sandwich
122.	1TJD	0.83	2.90	216	Alpha Beta, Roll
123.	1PPO	0.85	2.37	216	Alpha Beta, Alpha-Beta Complex
124.	1P3C	0.63	2.44	215	Mainly Beta, Beta Barrel
125.	1SUR	0.80	3.85	215	Alpha Beta, 3-Layer(aba) Sandwich
126.	1IO2	0.82	3.26	213	Alpha Beta, 2-Layer Sandwich
127.	1LBU	0.67	4.29	213	Mainly Alpha, Orthogonal Bundle
128.	1ENF	0.62	3.20	212	Alpha Beta, Roll
129.	1BWP	0.71	3.31	212	Alpha Beta, 3-Layer(aba) Sandwich
130.	1BOY	0.75	3.77	211	Mainly Beta, Sandwich
131.	1H2E	0.79	3.22	207	Alpha Beta, 3-Layer(aba) Sandwich
132.	1L8F	0.69	2.48	207	Mainly Beta, Beta Barrel
133.	1G66	0.63	2.85	207	Alpha Beta, 3-Layer(aba) Sandwich
134.	1YER	0.72	2.30	207	Alpha Beta, 2-Layer Sandwich
135.	1AN8	0.76	2.56	206	Alpha Beta, Roll
136.	1MIX	0.77	5.80	206	Mainly Alpha, Up-down Bundle
137.	1KUU	0.84	3.61	202	Alpha Beta, 4-Layer Sandwich
138.	1FI2	0.74	6.87	201	Mainly Beta, Sandwich
139.	1OMR	0.57	5.75	201	Mainly Alpha, Orthogonal Bundle
140.	1GEN	0.81	5.03	200	Mainly Beta, 4 Propellor
141.	1IAE	0.50	3.90	200	Alpha Beta, 3-Layer(aba) Sandwich
142.	1EE6	0.62	1.81	197	Mainly Beta, 3 Solenoid
143.	1BUD	0.74	2.89	197	Alpha Beta, 3-Layer(aba) Sandwich
144.	1T4W	0.85	4.33	196	Mainly Beta, Sandwich
145.	1QHV	0.85	15.31	195	Mainly Beta, Sandwich
146.	1XBN	0.77	3.61	195	Alpha Beta, Alpha-Beta Complex
147.	1YZF	0.66	2.56	195	Alpha Beta, 3-Layer(aba) Sandwich
148.	1PBV	0.79	2.24	195	Mainly Alpha, Orthogonal Bundle
149.	1QCY	0.59	2.67	193	Alpha Beta, 3-Layer(aba) Sandwich
150.	1EJE	0.91	13.70	192	Mainly Beta, Roll
151.	1B71	0.68	5.05	191	Mainly Alpha, Up-down Bundle
152.	3TSS	0.69	2.96	190	Alpha Beta, Roll
153.	1I82	0.76	2.62	189	Mainly Beta, Sandwich
154.	1UHN	0.55	3.28	189	Mainly Alpha, Orthogonal Bundle
155.	1JHS	0.89	6.94	188	Alpha Beta, 3-Layer(aba) Sandwich
156.	1V7R	0.63	2.18	186	Alpha Beta, Alpha-Beta Complex
157.	1N81	0.71	21.43	186	Mainly Alpha, Orthogonal Bundle
158.	1PI1	0.79	4.55	185	Mainly Alpha, Up-down Bundle
159.	1AD6	0.77	4.11	185	Mainly Alpha, Orthogonal Bundle
160.	1IS1	0.66	4.39	185	Mainly Alpha, Orthogonal Bundle
161.	2SAS	0.79	3.09	185	Mainly Alpha, Orthogonal Bundle
162.	1R8N	0.84	6.70	185	Mainly Beta, Trefoil
163.	1PMJ	0.61	5.05	185	Mainly Beta, Sandwich
164.	1UMH	0.78	3.14	184	Mainly Beta, Sandwich
165.	1WBC	0.85	4.04	183	Mainly Beta, Trefoil
166.	1BED	0.62	3.54	181	Alpha Beta, 3-Layer(aba) Sandwich
167.	1DOV	0.83	11.26	181	Mainly Alpha, Up-down Bundle
168.	1PM1	0.83	3.83	180	Mainly Beta, Beta Barrel
169.	1JWQ	0.68	2.48	179	Alpha Beta, 3-Layer(aba) Sandwich
170.	1MJN	0.69	2.16	179	Alpha Beta, 3-Layer(aba) Sandwich
171.	1CDY	0.73	2.49	178	Mainly Beta, Sandwich
172.	1YW5	0.76	5.01	177	Alpha Beta, Roll
173.	1CID	0.81	2.18	177	Mainly Beta, Sandwich
174.	1EB6	0.77	3.30	177	Alpha Beta, 3-Layer(aba) Sandwich
175.	1P7N	0.85	8.48	176	Mainly Alpha, Orthogonal Bundle
176.	1AQB	0.74	4.06	175	Mainly Beta, Beta Barrel
177.	1TZQ	0.79	2.34	175	Mainly Beta, Sandwich
178.	2PRD	0.68	4.61	174	Alpha Beta, Alpha-Beta Complex
179.	2FCB	0.66	2.53	173	Mainly Beta, Sandwich
180.	1KOE	0.65	2.10	172	Alpha Beta, Roll
181.	1C3G	0.51	10.36	170	Mainly Beta, Sandwich
182.	1OFV	0.60	2.38	169	Alpha Beta, 3-Layer(aba) Sandwich
183.	1GNR	0.56	3.75	166	Alpha Beta, 3-Layer(aba) Sandwich
184.	1IL6	0.78	5.16	166	Mainly Alpha, Up-down Bundle
185.	1J2A	0.76	4.86	166	Mainly Beta, Beta Barrel
186.	1SK3	0.72	2.14	165	Alpha Beta, 3-Layer(aba) Sandwich
187.	1DFF	0.62	3.18	164	Alpha Beta, Alpha-Beta Complex
188.	1P36	0.59	3.03	164	Mainly Alpha, Orthogonal Bundle
189.	1G5Z	0.65	2.11	164	Mainly Alpha, Up-down Bundle
190.	1KLO	0.54	3.98	162	Mainly Beta, Ribbon
191.	1BSQ	0.73	2.70	162	Mainly Beta, Beta Barrel
192.	1JOB	0.70	6.92	162	Mainly Beta, Sandwich
193.	1C25	0.76	11.64	161	Alpha Beta, 3-Layer(aba) Sandwich
194.	1QIB	0.82	4.88	161	Alpha Beta, 3-Layer(aba) Sandwich
195.	1BLE	0.75	2.28	161	Alpha Beta, 3-Layer(aba) Sandwich
196.	1G43	0.53	2.65	160	Mainly Beta, Sandwich
197.	1CZT	0.85	2.89	160	Mainly Beta, Sandwich
198.	1QST	0.66	3.65	160	Alpha Beta, 3-Layer(aba) Sandwich
199.	1KXA	0.83	10.22	158	Mainly Beta, Beta Barrel
200.	1TFU	0.66	3.39	157	Alpha Beta, 3-Layer(aba) Sandwich
201.	1DG9	0.79	5.69	157	Alpha Beta, 3-Layer(aba) Sandwich
202.	1VHH	0.81	6.47	157	Alpha Beta, 2-Layer Sandwich
203.	1HLB	0.59	3.94	157	Mainly Alpha, Orthogonal Bundle
204.	2E2C	0.66	8.80	156	Alpha Beta, Roll
205.	1BD8	0.59	3.40	156	Mainly Alpha, Alpha Horseshoe
206.	1GUI	0.74	3.19	155	Mainly Beta, Sandwich
207.	1ICX	0.70	4.01	155	Alpha Beta, 2-Layer Sandwich
208.	1MD6	0.76	4.28	154	Mainly Beta, Trefoil
209.	2GDM	0.79	2.65	153	Mainly Alpha, Orthogonal Bundle
210.	1AEP	0.72	1.29	153	Mainly Alpha, Up-down Bundle
211.	1B4L	0.74	3.19	153	Mainly Beta, Sandwich
212.	1ASS	0.72	2.15	152	Alpha Beta, 3-Layer(bba) Sandwich
213.	1DVO	0.44	42.79	152	Mainly Alpha, Orthogonal Bundle
214.	1SRA	0.82	3.08	151	Mainly Alpha, Orthogonal Bundle
215.	1OAL	0.63	4.41	151	Mainly Beta, Sandwich
216.	1ILK	0.48	33.84	151	Mainly Alpha, Up-down Bundle
217.	1BJ7	0.68	3.05	150	Mainly Beta, Beta Barrel
218.	1AMX	0.52	3.73	150	Mainly Beta, Sandwich
219.	1LEO	0.72	7.63	150	Alpha Beta, 2-Layer Sandwich
220.	1F3G	0.78	2.59	150	Mainly Beta, Distorted Sandwich
221.	2ARA	0.64	3.43	149	Mainly Beta, Sandwich
222.	2LHB	0.63	2.68	149	Mainly Alpha, Orthogonal Bundle
223.	1NG6	0.42	2.81	148	Mainly Alpha, Orthogonal Bundle
224.	1NB0	0.85	3.84	147	Mainly Beta, Beta Barrel
225.	2HBG	0.60	1.53	147	Mainly Alpha, Orthogonal Bundle
226.	1KFR	0.83	1.05	147	Mainly Alpha, Orthogonal Bundle
227.	1ASH	0.70	2.63	147	Mainly Alpha, Orthogonal Bundle
228.	1JMW	0.76	6.86	146	Mainly Alpha, Up-down Bundle
229.	1PKP	0.72	2.28	145	Alpha Beta, 2-Layer Sandwich
230.	1SRV	0.61	3.78	145	Alpha Beta, 3-Layer(bba) Sandwich
231.	1MKP	0.82	2.79	144	Alpha Beta, Alpha-Beta Complex
232.	1J7G	0.84	7.75	144	Alpha Beta, 3-Layer(bba) Sandwich
233.	1QQH	0.77	4.99	144	Mainly Beta, Beta Complex
234.	1I5G	0.67	2.77	144	Alpha Beta, 3-Layer(aba) Sandwich
235.	1BZ4	0.68	1.79	144	Mainly Alpha, Up-down Bundle
236.	1EYH	0.76	2.83	144	Mainly Alpha, Alpha Horseshoe
237.	1TFE	0.68	2.36	142	Alpha Beta, 2-Layer Sandwich
238.	1TZW	0.71	3.21	142	Mainly Alpha, Orthogonal Bundle
239.	1LCL	0.81	3.32	141	Mainly Beta, Sandwich
240.	1HUP	0.59	22.48	141	Alpha Beta, Roll
241.	1EJ8	0.82	3.32	140	Mainly Beta, Sandwich
242.	1IFG	0.83	4.72	140	Mainly Beta, Sandwich
243.	1H3Q	0.82	3.16	140	Alpha Beta, 2-Layer Sandwich
244.	1Q2Y	0.81	1.79	140	Alpha Beta, 3-Layer(aba) Sandwich
245.	1B1B	0.47	2.43	140	Mainly Alpha, Orthogonal Bundle
246.	1PNE	0.67	2.36	139	Alpha Beta, 2-Layer Sandwich
247.	1S3D	0.69	4.49	138	Alpha Beta, 3-Layer(aba) Sandwich
248.	1BSN	0.80	2.41	138	Mainly Beta, Sandwich
249.	1ANU	0.82	2.97	138	Mainly Beta, Sandwich
250.	5NUL	0.75	1.86	138	Alpha Beta, 3-Layer(aba) Sandwich
251.	1ECA	0.64	2.01	136	Mainly Alpha, Orthogonal Bundle
252.	1GQV	0.60	5.06	135	Alpha Beta, Roll
253.	1COF	0.58	2.56	135	Alpha Beta, 3-Layer(aba) Sandwich
254.	1AQT	0.72	2.27	135	Mainly Beta, Sandwich
255.	1KQW	0.73	2.34	134	Mainly Beta, Beta Barrel
256.	1B56	0.76	2.68	133	Mainly Beta, Beta Barrel
257.	1C7K	0.62	2.30	132	Alpha Beta, 3-Layer(aba) Sandwich
258.	1C52	0.68	2.07	131	Mainly Alpha, Orthogonal Bundle
259.	1PXU	0.85	3.56	131	Mainly Beta, Beta Barrel
260.	1LMI	0.87	2.23	131	Mainly Beta, Sandwich
261.	1LIS	0.73	2.69	131	Mainly Alpha, Up-down Bundle
262.	1EW0	0.38	33.84	130	Alpha Beta, 2-Layer Sandwich
263.	1PA7	0.86	2.59	130	Mainly Alpha, Orthogonal Bundle
264.	1CUO	0.79	3.93	129	Mainly Beta, Sandwich
265.	1HZI	0.59	1.72	129	Mainly Alpha, Up-down Bundle
266.	1CPQ	0.39	4.71	129	Mainly Alpha, Up-down Bundle
267.	1MSC	0.86	16.99	129	Alpha Beta, 2-Layer Sandwich
268.	1PDO	0.64	3.30	129	Alpha Beta, 3-Layer(aba) Sandwich
269.	1RIE	0.62	3.54	127	Mainly Beta, 3-layer Sandwich
270.	1K40	0.68	0.78	126	Mainly Alpha, Up-down Bundle
271.	1CHN	0.69	3.36	126	Alpha Beta, 3-Layer(aba) Sandwich
272.	1BFG	0.68	2.65	126	Mainly Beta, Sandwich
273.	1P6P	0.71	3.15	125	Mainly Beta, Beta Barrel
274.	1AGI	0.78	3.87	125	Alpha Beta, Roll
275.	1DFX	0.75	5.44	125	Mainly Beta, Sandwich
276.	1OOI	0.40	1.54	124	Mainly Alpha, Orthogonal Bundle
277.	1S7I	0.68	7.27	124	Alpha Beta, 2-Layer Sandwich
278.	1BGF	0.88	4.03	124	Mainly Alpha, Orthogonal Bundle
279.	1HQ8	0.90	3.45	123	Alpha Beta, Roll
280.	1C44	0.73	4.22	123	Alpha Beta, 2-Layer Sandwich
281.	1QTO	0.54	10.35	122	Alpha Beta, Roll
282.	1LWB	0.56	3.33	122	Mainly Alpha, Up-down Bundle
283.	1WHI	0.78	3.74	122	Mainly Beta, Beta Barrel
284.	1S8I	0.80	2.81	121	Mainly Alpha, Up-down Bundle
285.	1DHN	0.89	4.46	121	Alpha Beta, 2-Layer Sandwich
286.	1L7L	0.47	3.38	121	Mainly Beta, Sandwich
287.	1GYV	0.78	2.23	120	Mainly Beta, Sandwich
288.	1TMY	0.60	1.80	118	Alpha Beta, 3-Layer(aba) Sandwich
289.	1GNU	0.79	2.88	117	Alpha Beta, Roll
290.	1HCV	0.80	2.70	116	Mainly Beta, Sandwich
291.	1RMD	0.66	4.13	116	Alpha Beta, 2-Layer Sandwich
292.	1BEA	0.81	2.77	116	Mainly Alpha, Orthogonal Bundle
293.	1PY9	0.83	2.78	116	Mainly Beta, Sandwich
294.	1CS3	0.51	10.11	116	Alpha Beta, 2-Layer Sandwich
295.	1DLW	0.69	1.57	116	Mainly Alpha, Orthogonal Bundle
296.	2RHE	0.82	2.84	114	Mainly Beta, Sandwich
297.	1OUR	0.74	3.16	114	Mainly Beta, Sandwich
298.	1B11	0.82	7.60	113	Mainly Beta, Beta Barrel
299.	1A6F	0.61	2.40	113	Alpha Beta, 2-Layer Sandwich
300.	1QAU	0.83	6.15	112	Mainly Beta, Roll
301.	1T00	0.49	2.98	112	Alpha Beta, 3-Layer(aba) Sandwich
302.	1PIL	0.67	11.25	112	Alpha Beta, 2-Layer Sandwich
303.	1TFG	0.74	3.66	112	Mainly Beta, Ribbon
304.	2MCM	0.56	2.22	112	Mainly Beta, Sandwich
305.	1IU9	0.58	2.36	111	Alpha Beta, 3-Layer(aba) Sandwich
306.	1SFP	0.81	3.40	111	Mainly Beta, Sandwich
307.	1KPF	0.82	10.85	111	Alpha Beta, 2-Layer Sandwich
308.	1JER	0.75	3.53	110	Mainly Beta, Sandwich
309.	1KR7	0.56	2.52	110	Mainly Alpha, Orthogonal Bundle
310.	3SSI	0.86	5.53	108	Alpha Beta, 2-Layer Sandwich
311.	1JPC	0.68	22.25	108	Mainly Beta, Orthogonal Prism
312.	1J0P	0.69	13.14	108	Alpha Beta, Alpha-Beta Complex
313.	1BET	0.88	4.80	107	Mainly Beta, Ribbon
314.	1NSO	0.54	5.25	107	Mainly Beta, Beta Barrel
315.	1CO6	0.40	2.50	107	Mainly Alpha, Orthogonal Bundle
316.	1E9M	0.64	1.82	106	Alpha Beta, Roll
317.	1EW4	0.83	3.80	106	Alpha Beta, 2-Layer Sandwich
318.	1BFS	0.53	1.99	106	Mainly Beta, Sandwich
319.	1KTE	0.74	2.05	105	Alpha Beta, 3-Layer(aba) Sandwich
320.	1TQG	0.56	2.86	105	Mainly Alpha, Up-down Bundle
321.	1SKZ	0.74	5.59	104	Mainly Beta, Ribbon
322.	1F2F	0.70	4.18	104	Alpha Beta, 2-Layer Sandwich
323.	1WWB	0.87	20.37	103	Mainly Beta, Sandwich
324.	1TLK	0.89	13.18	103	Mainly Beta, Sandwich
325.	1TUL	0.67	3.04	102	Mainly Beta, Distorted Sandwich
326.	1P1L	0.67	2.93	102	Alpha Beta, 2-Layer Sandwich
327.	1L3P	0.74	2.51	102	Mainly Alpha, Up-down Bundle
328.	3EZM	0.31	15.63	101	Mainly Beta, Roll
329.	3VUB	0.79	3.87	101	Mainly Beta, Roll
330.	1UB9	0.60	12.92	100	Mainly Alpha, Orthogonal Bundle
331.	1OPC	0.57	2.15	99	Mainly Alpha, Orthogonal Bundle
332.	1PLC	0.64	2.95	99	Mainly Beta, Sandwich
333.	1CQY	0.71	2.34	99	Mainly Beta, Sandwich
334.	1BM8	0.74	2.36	99	Alpha Beta, Roll
335.	2ACY	0.56	4.04	98	Alpha Beta, 2-Layer Sandwich
336.	1FRD	0.74	3.15	98	Alpha Beta, Roll
337.	1RIS	0.72	2.35	97	Alpha Beta, 2-Layer Sandwich
338.	1T2I	0.64	4.53	96	Alpha Beta, Roll
339.	1MWP	0.65	3.12	96	Alpha Beta, Alpha-Beta Complex
340.	1LPL	0.78	10.87	95	Mainly Beta, Roll
341.	1WHP	0.68	2.16	94	Mainly Beta, Sandwich
342.	1QZM	0.53	2.27	94	Mainly Alpha, Orthogonal Bundle
343.	2YGS	0.50	1.00	92	Mainly Alpha, Orthogonal Bundle
344.	1G9O	0.64	8.05	91	Mainly Beta, Roll
345.	1CYO	0.79	3.02	88	Alpha Beta, Roll
346.	1TIG	0.69	2.99	88	Alpha Beta, 2-Layer Sandwich
347.	1OPD	0.61	1.53	85	Alpha Beta, 2-Layer Sandwich
348.	1PHT	0.71	4.41	83	Mainly Beta, Roll
349.	1I71	0.79	6.28	83	Mainly Beta, Beta Barrel
350.	1R6J	0.77	2.70	82	Mainly Beta, Roll
351.	1KP6	0.76	1.77	79	Alpha Beta, 2-Layer Sandwich
352.	1T8K	0.72	1.78	77	Mainly Alpha, Orthogonal Bundle
353.	1VCC	0.76	5.51	77	Alpha Beta, 2-Layer Sandwich
354.	1TIF	0.64	3.52	76	Alpha Beta, Roll
355.	1UBI	0.81	1.91	76	Alpha Beta, Roll
356.	1HYP	0.79	4.14	75	Mainly Alpha, Orthogonal Bundle
357.	1OK0	0.66	2.60	74	Mainly Beta, Sandwich
358.	1I27	0.64	4.30	73	Mainly Alpha, Orthogonal Bundle
359.	1DT4	0.52	2.31	73	Alpha Beta, 2-Layer Sandwich
360.	1JML	0.47	22.32	72	Alpha Beta, Roll
361.	1FVQ	0.68	1.04	72	Alpha Beta, 2-Layer Sandwich
362.	1DOL	0.73	22.92	71	Mainly Beta, Beta Barrel
363.	1C75	0.47	4.48	71	Mainly Alpha, Orthogonal Bundle
364.	1UTG	0.71	3.13	70	Mainly Alpha, Orthogonal Bundle
365.	1MJC	0.90	3.03	69	Mainly Beta, Beta Barrel
366.	1CTF	0.52	2.03	68	Alpha Beta, 2-Layer Sandwich
367.	1VBW	0.83	4.11	68	Alpha Beta, 2-Layer Sandwich
368.	1CSP	0.86	2.75	67	Mainly Beta, Beta Barrel
369.	1SDF	0.87	4.63	67	Mainly Beta, Beta Barrel
370.	1FF4	0.83	3.26	65	Mainly Beta, Ribbon
371.	1UCS	0.44	3.20	64	Alpha Beta, Alpha-Beta Complex
372.	1RMR	0.59	14.53	64	Few Secondary Structures, Irregular
373.	1R69	0.68	1.40	63	Mainly Alpha, Orthogonal Bundle
374.	1F94	0.71	2.51	63	Mainly Beta, Ribbon
375.	3EBX	0.81	2.12	62	Mainly Beta, Ribbon
376.	1G2B	0.66	2.64	62	Mainly Beta, Roll
377.	1FAS	0.87	1.69	61	Mainly Beta, Ribbon
378.	1I2T	0.50	1.27	61	Mainly Alpha, Orthogonal Bundle
379.	1NPI	0.56	6.67	61	Alpha Beta, 2-Layer Sandwich
380.	1D1L	0.80	8.95	61	Alpha Beta, 2-Layer Sandwich
381.	2IGD	0.87	4.25	61	Alpha Beta, Roll
382.	1VIE	0.91	5.87	60	Mainly Beta, Roll
383.	1I6F	0.87	4.21	60	Alpha Beta, 2-Layer Sandwich
384.	1MHN	0.89	3.02	59	Mainly Beta, Roll
385.	1JO8	0.74	2.71	58	Mainly Beta, Roll
386.	2OVO	0.67	7.02	56	Alpha Beta, 2-Layer Sandwich
387.	1KNT	0.52	1.92	55	Few Secondary Structures, Irregular
388.	1ENH	0.56	8.27	54	Mainly Alpha, Orthogonal Bundle
389.	1MOF	0.52	22.72	53	Mainly Alpha, Orthogonal Bundle
390.	1PTQ	0.76	2.40	50	Alpha Beta, 2-Layer Sandwich
391.	1BHP	0.72	6.97	45	Alpha Beta, 2-Layer Sandwich
392.	1Q9B	0.83	3.16	43	Alpha Beta, 2-Layer Sandwich
393.	2ERL	0.61	4.91	40	Mainly Alpha, Up-down Bundle
avg.		0.70	4.66

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© Laboratory of Theory of Biopolymers, Faculty of Chemistry, University of Warsaw 2013