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

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