A0A087XBH0_POEFO Loading...

Angio-associated migratory cell protein

Plays a role in angiogenesis and cell migration. In smooth muscle cell migration, may act through the RhoA pathway.

AlphaFold DB , UniProt , Accession A0A087XBH0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37	Very low	37.3	Very low	241 Å²	241	158.6 Å²	158.6	100%	1.187	84%	0.836	S	S	*	*				0	130.7	0	-77.8	177	170.8	0	0	105.5
2	D	37.5	Very low	37.6	Very low	143 Å²	143	160.8 Å²	160.8	77%	0.765	84%	0.838	S	S	*	*			trans	-78.8	162	-157	-49.8	-82.3	0	0	0	112.8
3	N	38.3	Very low	37.4	Very low	172 Å²	172	152.5 Å²	152.5	92%	0.92	82%	0.815	S	S	*	*			trans	-150.1	121.4	140.6	-121.3	27.6	0	0	0	107.5
4	T	41.3	Very low	37.6	Very low	120 Å²	120	152.8 Å²	152.8	74%	0.736	82%	0.817	S	S	*	*			trans	-127.6	114	-179.5	48.3	0	0	0	0	109
5	E	41	Very low	37.7	Very low	188 Å²	188	155.1 Å²	155.1	88%	0.879	82%	0.821	S	S	*	*			trans	-179.7	146.8	171.9	-103.8	163.1	-147	0	0	106.1
6	E	36.6	Very low	37.8	Very low	160 Å²	160	155.8 Å²	155.8	75%	0.748	82%	0.818	S	S	*	*			cis	-159.1	168.5	-27.3	-136.1	-166	-149.1	0	0	109.1
7	N	33.8	Very low	37.9	Very low	136 Å²	136	154.8 Å²	154.8	73%	0.727	81%	0.812	S	S	*	*			trans	15.1	123.3	157.9	-66.7	-49.6	0	0	0	121.5
8	A	34	Very low	37.9	Very low	97 Å²	97	154.4 Å²	154.4	80%	0.802	81%	0.809	S	S	*	*				-169	146.7	114.8	0	0	0	0	0	111.9
9	I	37.2	Very low	37.8	Very low	152 Å²	152	156.1 Å²	156.1	78%	0.779	81%	0.812	S	S	*	*			trans	-127.8	124.1	164.5	-60.7	173.3	0	0	0	106.6	L11	I9-L11 HydrophobicContact CG2-CG 4.37Å
10	E	35	Very low	38	Very low	178 Å²	178	154.3 Å²	154.3	83%	0.832	81%	0.808	S	S	*	*			trans	-125.1	131.3	163.2	-71.9	-172	146.2	0	0	108.5
11	L	38.6	Very low	38.1	Very low	158 Å²	158	154.2 Å²	154.2	83%	0.827	81%	0.807	S	S	*	*			trans	-124.6	109.2	175.7	-80.1	168.9	0	0	0	108.4	I9	I9-L11 HydrophobicContact CG2-CG 4.37Å
12	H	40.5	Very low	38	Very low	184 Å²	184	149.7 Å²	149.7	85%	0.852	79%	0.787	S	S	*	*			trans	-122.7	148.2	157.1	-72.1	-79.5	0	0	0	106
13	G	35.8	Very low	38.3	Very low	53 Å²	53	150.6 Å²	150.6	55%	0.546	79%	0.791	S	S	.	*			cis	152.8	163.8	7.5	0	0	0	0	0	107.9
14	D	39.9	Very low	38.2	Very low	157 Å²	157	149.9 Å²	149.9	84%	0.84	79%	0.788	S	S	*	*			trans	71.8	118.4	178.7	-41.2	-17.5	0	0	0	112
15	E	39.5	Very low	38.1	Very low	187 Å²	187	151.5 Å²	151.5	87%	0.874	79%	0.792	S	S	*	*			cis	63.7	135.7	29.5	-49.8	-175.4	169.9	0	0	113
16	E	38.6	Very low	37.9	Very low	167 Å²	167	149.1 Å²	149.1	78%	0.78	79%	0.79	S	S	*	*			cis	-121.7	-164.5	-5.4	-102.5	-151.6	82.4	0	0	108.7
17	I	40.4	Very low	38.2	Very low	138 Å²	138	150.5 Å²	150.5	71%	0.708	80%	0.797	S	S	*	*			cis	-148	155.8	14.9	-41.5	157.1	0	0	0	108.2
18	I	37.5	Very low	38.3	Very low	148 Å²	148	150 Å²	150	76%	0.759	80%	0.801	S	S	*	*			trans	-130.5	127.6	160.1	-63.5	175.9	0	0	0	108.4
19	E	36.4	Very low	38.4	Very low	186 Å²	186	148.7 Å²	148.7	87%	0.869	80%	0.797	S	S	*	*			trans	-75.2	130.6	172.5	-71.7	-169.1	138.4	0	0	111.1
20	V	40.3	Very low	39.1	Very low	120 Å²	120	147 Å²	147	73%	0.727	80%	0.796	S	S	*	*			trans	-107.1	127	174.6	178.1	0	0	0	0	108.4
21	I	40.5	Very low	39.1	Very low	154 Å²	154	145.8 Å²	145.8	79%	0.79	80%	0.795	S	S	*	*			trans	-98.1	110.6	173.1	-58.7	177.4	0	0	0	107.8
22	D	36.5	Very low	38.8	Very low	145 Å²	145	145.3 Å²	145.3	78%	0.775	79%	0.794	S	S	*	*			trans	-71.1	131.3	173.5	-84.3	-43.1	0	0	0	111.2
23	L	43.4	Very low	38.9	Very low	162 Å²	162	145.1 Å²	145.1	85%	0.848	80%	0.798	S	S	*	*			trans	-103.9	130.4	165	-77.5	165.5	0	0	0	109
24	N	35.2	Very low	38.9	Very low	158 Å²	158	146.1 Å²	146.1	85%	0.845	80%	0.801	S	S	*	*			trans	-155.3	139.5	165	-110.5	-50.8	0	0	0	111.4
25	D	40.5	Very low	38.7	Very low	153 Å²	153	146.4 Å²	146.4	82%	0.818	80%	0.803	S	S	*	*			trans	-81.3	151.3	-174.2	-52.8	-71.3	0	0	0	113
26	T	35.6	Very low	38.5	Very low	139 Å²	139	145.2 Å²	145.2	85%	0.853	80%	0.803	S	S	*	*			trans	-155.1	113.9	151.5	-36.9	0	0	0	0	111.5
27	E	42.4	Very low	38.7	Very low	188 Å²	188	144.6 Å²	144.6	88%	0.879	80%	0.804	S	S	*	*			trans	-75.9	154.1	165.9	-66.1	-175	153.4	0	0	111.9
28	P	37.4	Very low	38.3	Very low	125 Å²	125	141.5 Å²	141.5	81%	0.812	81%	0.805	S	S	*	*			trans	-126.8	149.4	141.6	36.1	-26.9	0	0	0	113.2
29	G	34.5	Very low	38.3	Very low	71 Å²	71	141.1 Å²	141.1	73%	0.732	81%	0.805	S	S	*	*			trans	-86.3	-171.8	178.4	0	0	0	0	0	115.4
30	P	53.2	Low	38.4	Very low	117 Å²	117	138 Å²	138	76%	0.76	80%	0.799	S	S	*	*			trans	-91	147.5	-165.6	35.7	-36.2	0	0	0	114.8
31	D	34.5	Very low	38.1	Very low	151 Å²	151	138.6 Å²	138.6	81%	0.807	80%	0.797	S	S	*	*				-177.8	168.5	113.8	-100.2	-20.8	0	0	0	111.3
32	D	33.2	Very low	37.8	Very low	149 Å²	149	140.2 Å²	140.2	80%	0.797	80%	0.799	S	S	*	*			trans	49.4	110	163.9	-69.1	-21.7	0	0	0	120.4
33	L	41.4	Very low	37.7	Very low	179 Å²	179	141.2 Å²	141.2	94%	0.937	80%	0.799	S	S	*	*				-156	146.8	101.8	-102.8	173.3	0	0	0	110.8
34	A	36.8	Very low	37.5	Very low	75 Å²	75	140.8 Å²	140.8	62%	0.62	80%	0.798	S	S	*	*			trans	-113	-172.1	-175.7	0	0	0	0	0	111.9
35	D	36	Very low	38.4	Very low	162 Å²	162	138.9 Å²	138.9	87%	0.866	79%	0.794	S	S	*	*			trans	68.5	125.7	178	-47	-28.6	0	0	0	113.3
36	D	35.5	Very low	37.9	Very low	163 Å²	163	135.5 Å²	135.5	87%	0.872	80%	0.795	S	S	*	*			cis	-135.6	139.9	42.4	-160.3	-1.6	0	0	0	112.7
37	L	40.8	Very low	37.9	Very low	154 Å²	154	136.1 Å²	136.1	81%	0.806	79%	0.794	S	S	*	*			trans	-121.8	110.8	178.2	-110.8	173	0	0	0	109.4
38	G	33.6	Very low	38.7	Very low	72 Å²	72	131.7 Å²	131.7	74%	0.742	78%	0.781	S	S	*	*			trans	-99.2	107.5	171.4	0	0	0	0	0	111.5
39	D	37.3	Very low	38.5	Very low	141 Å²	141	134.7 Å²	134.7	75%	0.754	78%	0.784	S	S	*	*			trans	-58.8	165.7	165.7	-62.9	-46.3	0	0	0	110.8
40	V	38.2	Very low	38.8	Very low	121 Å²	121	137.7 Å²	137.7	73%	0.733	78%	0.783	S	S	*	*			cis	-159.3	151.2	39.3	-140.4	0	0	0	0	112.3
41	D	32.9	Very low	38.2	Very low	131 Å²	131	140 Å²	140	70%	0.701	79%	0.789	S	S	*	*			trans	29.2	130.8	150.9	-60.7	-21.8	0	0	0	121.4
42	F	35.4	Very low	38.7	Very low	189 Å²	189	139.2 Å²	139.2	83%	0.829	79%	0.785	S	S	*	*				60	140.9	64.5	-68.4	-73.6	0	0	0	112.9
43	E	33.7	Very low	39.2	Very low	166 Å²	166	140.2 Å²	140.2	78%	0.776	79%	0.785	S	S	*	*			cis	-159.5	164	21.4	-151.5	169.3	-136.4	0	0	113.3
44	D	40.3	Very low	39.5	Very low	152 Å²	152	134.6 Å²	134.6	81%	0.813	77%	0.771	S	S	*	*			trans	73	154.2	150.6	-117.3	34.8	0	0	0	123.1
45	P	52.9	Low	39.7	Very low	118 Å²	118	141.6 Å²	141.6	77%	0.766	78%	0.781	S	S	*	*			trans	-114.4	167.3	-159.2	42.6	-34.8	0	0	0	116.8
46	G	30.9	Very low	40	Very low	82 Å²	82	142.5 Å²	142.5	85%	0.845	78%	0.78	S	S	*	*			trans	-151.8	140	173.1	0	0	0	0	0	113.5
47	N	35.5	Very low	40.3	Very low	153 Å²	153	139.4 Å²	139.4	82%	0.818	77%	0.767	S	S	*	*			trans	-129.7	163.9	-174.3	178.8	75.2	0	0	0	108.7
48	P	58.9	Low	40.6	Very low	95 Å²	95	140.3 Å²	140.3	62%	0.617	77%	0.767	S	S	*	*			cis	-112.4	-179.8	-49	38.2	-24.1	0	0	0	111.2
49	E	33.8	Very low	41.2	Very low	188 Å²	188	143 Å²	143	88%	0.879	76%	0.764	S	S	*	*			trans	-172.1	-173.7	135.6	-108.5	164.4	-159.8	0	0	110.2
50	D	40.4	Very low	41.8	Very low	133 Å²	133	144.5 Å²	144.5	71%	0.711	77%	0.767	S	S	*	*			trans	-42.5	150.8	174.9	-79	-65.5	0	0	0	113.6
51	D	39.2	Very low	42.2	Very low	165 Å²	165	147.1 Å²	147.1	88%	0.882	77%	0.773	S	S	*	*				-133.6	137.9	63.4	-74.3	-48.1	0	0	0	116.8
52	N	46.3	Very low	43	Very low	136 Å²	136	149.4 Å²	149.4	73%	0.727	78%	0.78	S	S	*	*			trans	-79.1	110	168.2	162.1	97.1	0	0	0	111.5
53	E	43.1	Very low	43.7	Very low	170 Å²	170	144.7 Å²	144.7	79%	0.794	78%	0.776	S	S	*	*			trans	-126.4	102.4	150.8	-74.6	-154.6	163	0	0	109.5	W55	E53-W55 PolarHBondContact O-N 3.48Å
54	G	47.9	Very low	44.5	Very low	61 Å²	61	145.6 Å²	145.6	63%	0.629	78%	0.78	S	S	*	*			trans	-75	123	-176.1	0	0	0	0	0	112.7
55	W	41	Very low	45.3	Very low	222 Å²	222	142.9 Å²	142.9	84%	0.841	78%	0.779	S	S	*	*			trans	-121.3	68.1	158.4	-68.6	80.7	0	0	0	108	E53 T57	E53-W55 PolarHBondContact O-N 3.48Å; W55-T57 PolarHBondContact O-N 2.93Å
56	E	41.9	Very low	46.2	Very low	181 Å²	181	145.3 Å²	145.3	85%	0.846	78%	0.78	S	S	*	*			trans	-66.6	88	158.1	-71.8	178.6	148.3	0	0	106.7	E58	E56-E58 PolarHBondContact O-N 2.83Å
57	T	42.3	Very low	48.8	Very low	97 Å²	97	146.8 Å²	146.8	60%	0.595	77%	0.765	S	S	*	*			trans	-67.3	91.5	161	48	0	0	0	0	106.8	W55 D59	W55-T57 PolarHBondContact O-N 2.93Å; T57-D59 PolarHBondContact O-N 2.95Å
58	E	47.9	Very low	51.6	Low	174 Å²	174	143.1 Å²	143.1	81%	0.813	75%	0.745	S	S	*	*			trans	-65.3	45.1	154.9	-65.6	-176.6	140.5	0	0	110.2	E56 E60	E56-E58 PolarHBondContact O-N 2.83Å; E58-E60 PolarHBondContact O-N 2.87Å
59	D	44.7	Very low	53.3	Low	127 Å²	127	141.4 Å²	141.4	68%	0.679	73%	0.731	S	S	*	*			trans	-73.8	59.4	154	-68.7	-45.7	0	0	0	106.7	T57 M61	T57-D59 PolarHBondContact O-N 2.95Å; D59-M61 PolarHBondContact O-N 2.94Å
60	E	50.3	Low	56.3	Low	173 Å²	173	133.6 Å²	133.6	81%	0.808	70%	0.697	S	S	*	*			trans	-58.5	96.5	151.2	-71.5	-163.4	144.7	0	0	104.8	E58 E62	E58-E60 PolarHBondContact O-N 2.87Å; E60-E62 PolarHBondContact O-N 2.8Å
61	M	46.4	Very low	58.9	Low	176 Å²	176	133.2 Å²	133.2	87%	0.867	69%	0.691	S	S	*	*			trans	-59.3	98.1	164.9	-69.4	-177.1	72	0	0	105.8	D59 A63	D59-M61 PolarHBondContact O-N 2.94Å; M61-A63 PolarHBondContact O-N 2.78Å
62	E	49.3	Very low	61.7	Low	179 Å²	179	127.7 Å²	127.7	84%	0.836	66%	0.661	S	S	*	*			trans	-53.9	96.7	159.9	-71.3	-169.7	165.3	0	0	105.2	E60 E64	E60-E62 PolarHBondContact O-N 2.8Å; E62-E64 PolarHBondContact O-N 3.03Å
63	A	50.3	Low	64.1	Low	90 Å²	90	123.5 Å²	123.5	74%	0.744	64%	0.64	S	S	*	*			trans	-61.5	106.2	174.5	0	0	0	0	0	105.5	M61 A65	M61-A63 PolarHBondContact O-N 2.78Å; A63-A65 PolarHBondContact O-N 2.93Å
64	E	51.5	Low	66.8	Low	186 Å²	186	115.4 Å²	115.4	87%	0.869	60%	0.603	S	S	*	*			trans	-52	113.8	-177	-69.1	-167.7	-175.8	0	0	107.5	E62 E66	E62-E64 PolarHBondContact O-N 3.03Å; E64-E66 PolarHBondContact O-N 2.91Å
65	A	55.7	Low	69.1	Low	95 Å²	95	116.2 Å²	116.2	79%	0.785	60%	0.599	S	S	*	*			trans	-61	117	-166.1	0	0	0	0	0	109	A63 Q67	A63-A65 PolarHBondContact O-N 2.93Å; A65-Q67 PolarHBondContact O-N 2.97Å
66	E	71.9	Confident	71.8	Confident	169 Å²	169	111.4 Å²	111.4	79%	0.79	58%	0.584	S	S	*	*			trans	-49.1	115.8	-173.5	-65.4	178.9	161.3	0	0	109.7	E64 D68	E64-E66 PolarHBondContact O-N 2.91Å; E66-D68 PolarHBondContact O-N 3.05Å
67	Q	85.9	Confident	74.5	Confident	113 Å²	113	103.3 Å²	103.3	53%	0.528	55%	0.546	S	S	.	.			trans	-71.4	101	-173.6	-177	-174.7	-16.8	0	0	109.6	A65 D69 R381 G382	A65-Q67 PolarHBondContact O-N 2.97Å; Q67-D69 VanDerWaalsContact NE2-CG 3.33Å; Q67-D69 PolarHBondContact NE2-OD1 3.43Å; Q67-D69 PolarHBondContact NE2-OD2 3.35Å; Q67-R381 CarbonylContact O-C 3.16Å; Q67-R381 WeakPolarHBondContact O-CB 3.38Å; Q67-G382 VanDerWaalsContact O-CA 3.31Å; Q67-G382 WeakPolarHBondContact O-CA 3.34Å; Q67-G382 PolarHBondContact O-N 3.47Å; Q67-G382 VanDerWaalsContact O-N 3.12Å
68	D	94.1	Very high	77.2	Confident	75 Å²	75	104.4 Å²	104.4	40%	0.401	55%	0.553	S	S	.	*			trans	-107.4	106.5	169.9	-164.5	-15.1	0	0	0	110.1	E66 S70 K409	E66-D68 PolarHBondContact O-N 3.05Å; D68-S70 VanDerWaalsContact C-N 3.29Å; D68-S70 WeakPolarHBondContact OD1-CB 2.99Å; D68-S70 PolarHBondContact OD1-N 3.12Å; D68-S70 PolarHBondContact OD1-OG 3.37Å; D68-S70 PolarHBondContact OD2-OG 3.48Å; D68-K409 IonicContact OD1-NZ 3.72Å; D68-K409 IonicContact OD2-NZ 2.7Å; D68-K409 PolarHBondContact OD2-NZ 3.15Å
69	D	95.9	Very high	79.6	Confident	59 Å²	59	96.4 Å²	96.4	32%	0.316	52%	0.517	S	S	.	.			trans	-87.6	6.2	176.6	-54.4	-61.2	0	0	0	112.2	Q67 Y380 R381 F411	Q67-D69 VanDerWaalsContact NE2-CG 3.33Å; Q67-D69 PolarHBondContact NE2-OD1 3.43Å; Q67-D69 PolarHBondContact NE2-OD2 3.35Å; D69-Y380 HydrophobicContact CB-CD1 4.1Å; D69-Y380 WeakPolarHBondContact OD2-CA 3.45Å; D69-R381 PolarHBondContact N-O 2.94Å; D69-R381 PolarHBondContact OD2-N 2.95Å; D69-F411 HydrophobicContact CB-CD1 4.19Å; D69-F411 HydrophobicContact CB-CE1 4.11Å; D69-F411 WeakPolarHBondContact O-CD1 3.38Å
70	S	96.1	Very high	82.1	Confident	25 Å²	25	91.5 Å²	91.5	18%	0.175	49%	0.493	C	S	.	.			trans	-81	140.3	-176.7	73.3	0	0	0	0	113.4	D68 T73 V410	D68-S70 VanDerWaalsContact C-N 3.29Å; D68-S70 WeakPolarHBondContact OD1-CB 2.99Å; D68-S70 PolarHBondContact OD1-N 3.12Å; D68-S70 PolarHBondContact OD1-OG 3.37Å; D68-S70 PolarHBondContact OD2-OG 3.48Å; S70-T73 PolarHBondContact OG-OG1 2.93Å; S70-V410 WeakPolarHBondContact CA-O 3.45Å
71	E	95.9	Very high	84.4	Confident	125 Å²	125	83.3 Å²	83.3	58%	0.584	45%	0.454	S	S	*	.	S	Bend	trans	-81.5	-32.9	176.4	-65.5	-87.8	-174.4	0	0	111.3	V410 C412	E71-V410 PolarHBondContact N-O 2.87Å; E71-C412 HydrophobicContact CG-CB 3.74Å; E71-C412 WeakPolarHBondContact OE1-CB 3.31Å
72	L	96.8	Very high	86.9	Confident	48 Å²	48	77.7 Å²	77.7	25%	0.251	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	148.9	179	-63	171.6	0	0	0	110.5	F74 V108 V410	L72-F74 HydrophobicContact CB-CE1 4.42Å; L72-V108 WeakPolarHBondContact CD1-O 3.31Å; L72-V410 HydrophobicContact CB-CB 4.05Å; L72-V410 HydrophobicContact CB-CG2 4.04Å; L72-V410 PolarHBondContact O-N 2.7Å
73	T	97.9	Very high	89.3	Confident	48 Å²	48	69.7 Å²	69.7	29%	0.294	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.1	174.3	-64.6	0	0	0	0	109.9	S70 S75 Q407 K409	S70-T73 PolarHBondContact OG-OG1 2.93Å; T73-S75 WeakPolarHBondContact CG2-OG 3.11Å; T73-Q407 HydrophobicContact CG2-CB 3.98Å; T73-Q407 HydrophobicContact CG2-CG 4.13Å; T73-K409 HydrophobicContact CG2-CG 4.21Å; T73-K409 PolarHBondContact OG1-NZ 2.78Å
74	F	98.3	Very high	91.6	Very high	1 Å²	1	65.7 Å²	65.7	0%	0.004	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	85	-177	-65.3	-11.7	0	0	0	110.8	L72 K76 A94 W106 V400 A408 V410	L72-F74 HydrophobicContact CB-CE1 4.42Å; F74-K76 PolarHBondContact O-N 3.42Å; F74-A94 HydrophobicContact CE2-CB 4.12Å; F74-W106 HydrophobicContact CB-CD2 3.92Å; F74-W106 HydrophobicContact CB-CE3 3.92Å; F74-W106 HydrophobicContact CB-CH2 3.6Å; F74-W106 HydrophobicContact CB-CZ2 3.67Å; F74-W106 HydrophobicContact CB-CZ3 3.76Å; F74-W106 HydrophobicContact CD1-CD2 4.12Å; F74-W106 AromaticContact CD1-CE3 3.84Å; F74-W106 HydrophobicContact CD1-CE3 3.84Å; F74-W106 HydrophobicContact CD1-CG 4.46Å; F74-W106 HydrophobicContact CD1-CZ3 4.27Å; F74-W106 HydrophobicContact CD2-CB 4.11Å; F74-W106 AromaticContact CD2-CD1 3.75Å; F74-W106 AromaticContact CD2-CD2 3.71Å; F74-W106 HydrophobicContact CD2-CD2 3.71Å; F74-W106 AromaticContact CD2-CE2 3.94Å; F74-W106 HydrophobicContact CD2-CE3 4.27Å; F74-W106 AromaticContact CD2-CG 3.6Å; F74-W106 HydrophobicContact CD2-CG 3.6Å; F74-W106 AromaticContact CD2-NE1 3.94Å; F74-W106 HydrophobicContact CE1-CB 4.26Å; F74-W106 HydrophobicContact CE1-CE3 4.46Å; F74-W106 HydrophobicContact CE2-CB 3.71Å; F74-W106 AromaticContact CE2-CD1 3.98Å; F74-W106 HydrophobicContact CE2-CD2 4.24Å; F74-W106 AromaticContact CE2-CG 3.71Å; F74-W106 HydrophobicContact CE2-CG 3.71Å; F74-W106 AromaticContact CG-CD2 3.65Å; F74-W106 HydrophobicContact CG-CD2 3.65Å; F74-W106 AromaticContact CG-CE2 3.97Å; F74-W106 AromaticContact CG-CE3 3.75Å; F74-W106 HydrophobicContact CG-CE3 3.75Å; F74-W106 HydrophobicContact CG-CG 4.02Å; F74-W106 HydrophobicContact CG-CH2 4.35Å; F74-W106 HydrophobicContact CG-CZ2 4.34Å; F74-W106 HydrophobicContact CG-CZ3 4.09Å; F74-W106 HydrophobicContact CZ-CB 3.79Å; F74-W106 HydrophobicContact CZ-CG 4.19Å; F74-V400 HydrophobicContact CE2-CG1 4.04Å; F74-A408 HydrophobicContact CB-CB 4.07Å; F74-A408 WeakPolarHBondContact CB-O 3.35Å; F74-A408 HydrophobicContact CD2-CB 3.94Å; F74-A408 HydrophobicContact CG-CB 4.44Å; F74-A408 PolarHBondContact N-O 2.83Å; F74-V410 HydrophobicContact CD1-CG2 4.48Å; F74-V410 HydrophobicContact CE1-CG2 3.7Å; F74-V410 HydrophobicContact CE2-CG2 3.91Å; F74-V410 HydrophobicContact CZ-CG2 3.37Å
75	S	96.9	Very high	93.8	Very high	78 Å²	78	58 Å²	58	55%	0.545	32%	0.322	S	S	.	.			trans	-101.6	63.9	-172	-42.9	0	0	0	0	113.2	T73	T73-S75 WeakPolarHBondContact CG2-OG 3.11Å
76	K	98.2	Very high	95.8	Very high	120 Å²	120	54.1 Å²	54.1	52%	0.522	29%	0.288	S	S	.	.			trans	-120.2	-20	174.3	-67.3	-66	-173.8	-171.5	0	115.5	F74 Y104 W106 V113	F74-K76 PolarHBondContact O-N 3.42Å; K76-Y104 HydrophobicContact CB-CD2 4.3Å; K76-Y104 HydrophobicContact CB-CE1 4.16Å; K76-Y104 HydrophobicContact CB-CE2 3.91Å; K76-Y104 PolarHBondContact O-OH 2.59Å; K76-W106 HydrophobicContact CB-CH2 3.46Å; K76-W106 VanDerWaalsContact CB-CH2 3.46Å; K76-W106 HydrophobicContact CB-CZ2 4.05Å; K76-W106 HydrophobicContact CB-CZ3 4.39Å; K76-W106 HydrophobicContact CG-CH2 3.45Å; K76-W106 VanDerWaalsContact CG-CH2 3.45Å; K76-W106 HydrophobicContact CG-CZ2 4.44Å; K76-W106 HydrophobicContact CG-CZ3 3.9Å; K76-V113 HydrophobicContact CG-CG2 3.94Å
77	H	98.4	Very high	96.9	Very high	11 Å²	11	46.4 Å²	46.4	5%	0.051	25%	0.252	C	S	.	.			trans	-65.7	144	167.4	-68.9	-76.5	0	0	0	109.3	V81 T96 D100 Y104	H77-V81 HydrophobicContact CB-CG2 3.95Å; H77-T96 WeakPolarHBondContact NE2-CB 3.3Å; H77-T96 PolarHBondContact NE2-OG1 2.83Å; H77-D100 WeakPolarHBondContact CA-OD2 3.38Å; H77-D100 IonicContact CE1-OD1 3.18Å; H77-D100 IonicContact CG-OD1 2.77Å; H77-D100 IonicContact ND1-OD1 3.72Å; H77-D100 PolarHBondContact ND1-OD1 2.87Å; H77-D100 IonicContact ND1-OD2 3.82Å; H77-Y104 AromaticContact CE1-CD2 3.55Å; H77-Y104 AromaticContact CE1-CE2 3.95Å; H77-Y104 AromaticContact ND1-CD2 3.86Å; H77-Y104 AromaticContact ND1-CE2 3.78Å; H77-Y104 AromaticContact NE2-CD2 3.64Å
78	T	98	Very high	97.2	Very high	121 Å²	121	44.6 Å²	44.6	74%	0.742	25%	0.25	S	S	*	.	S	Bend	trans	-109.1	17.4	174.3	60.4	0	0	0	0	112.7	D100	T78-D100 PolarHBondContact N-OD2 3.47Å; T78-D100 WeakPolarHBondContact OG1-CB 3.15Å
79	G	98.1	Very high	97.1	Very high	6 Å²	6	44.1 Å²	44.1	6%	0.062	26%	0.257	C	S	.	.	S	Bend	trans	-158.3	178.4	179.7	0	0	0	0	0	108.9	N406	G79-N406 WeakPolarHBondContact CA-OD1 3.49Å; G79-N406 PolarHBondContact N-OD1 2.74Å; G79-N406 WeakPolarHBondContact O-CA 3.47Å; G79-N406 WeakPolarHBondContact O-CB 3.45Å; G79-N406 PolarHBondContact O-OD1 3.3Å
80	S	98.5	Very high	96.8	Very high	24 Å²	24	45 Å²	45	17%	0.168	26%	0.264	C	S	.	.			trans	-52.7	141.3	-175.5	-50.5	0	0	0	0	112.9	G98 E99 N406	S80-G98 CarbonylContact O-C 3.58Å; S80-G98 WeakPolarHBondContact O-CA 3.39Å; S80-E99 WeakPolarHBondContact CB-OE2 3.46Å; S80-E99 PolarHBondContact N-OE2 2.77Å; S80-E99 PolarHBondContact O-N 3.41Å; S80-E99 PolarHBondContact OG-OE2 3.1Å; S80-N406 PolarHBondContact N-OD1 3.15Å
81	V	98.8	Very high	96.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	109	175.3	-163.6	0	0	0	0	108.9	H77 T96 G97 A402 S403	H77-V81 HydrophobicContact CB-CG2 3.95Å; V81-T96 HydrophobicContact CG1-CG2 4.2Å; V81-G97 CarbonylContact C-O 3.59Å; V81-G97 WeakPolarHBondContact CG1-O 3.42Å; V81-A402 HydrophobicContact CB-CB 3.93Å; V81-A402 HydrophobicContact CG1-CB 3.68Å; V81-A402 CarbonylContact O-C 3.57Å; V81-A402 WeakPolarHBondContact O-CB 3.47Å; V81-S403 PolarHBondContact N-O 2.81Å; V81-S403 PolarHBondContact O-N 3.09Å
82	F	98.6	Very high	96.5	Very high	59 Å²	59	43.1 Å²	43.1	26%	0.259	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-27.9	-169.5	-67.1	-58.3	0	0	0	114.5	G97 E99 M141 L388	F82-G97 PolarHBondContact N-O 2.99Å; F82-E99 HydrophobicContact CE2-CB 3.59Å; F82-E99 HydrophobicContact CE2-CG 4.11Å; F82-E99 HydrophobicContact CZ-CB 3.98Å; F82-E99 HydrophobicContact CZ-CG 4.18Å; F82-M141 HydrophobicContact CE2-CE 4.35Å; F82-M141 HydrophobicContact CZ-CE 4.48Å; F82-L388 HydrophobicContact CD1-CD1 3.89Å; F82-L388 HydrophobicContact CE1-CD1 4.23Å
83	C	98.6	Very high	96.5	Very high	10 Å²	10	41.8 Å²	41.8	7%	0.068	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	151.8	-173.2	60	0	0	0	0	112.8	T96 G97 T125 A127 D389	C83-T96 VanDerWaalsContact O-CA 3.28Å; C83-T96 WeakPolarHBondContact O-CA 3.21Å; C83-G97 PolarHBondContact N-O 3.42Å; C83-G97 PolarHBondContact O-N 2.95Å; C83-G97 VanDerWaalsContact O-N 3.11Å; C83-G97 VanDerWaalsContact SG-CA 3.6Å; C83-T125 WeakPolarHBondContact CB-O 3.2Å; C83-T125 VanDerWaalsContact SG-C 3.59Å; C83-T125 PolarHBondContact SG-O 2.78Å; C83-A127 PolarHBondContact SG-N 3.25Å; C83-D389 WeakPolarHBondContact CA-OD2 3.2Å
84	V	98.6	Very high	96.5	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	136.7	177.7	61.1	0	0	0	0	113.5	V95 T96 D389 T391 V400 A402	V84-V95 WeakPolarHBondContact CA-O 3.48Å; V84-T96 HydrophobicContact CB-CG2 4.25Å; V84-T96 HydrophobicContact CG2-CG2 3.95Å; V84-D389 HydrophobicContact CG1-CB 4.24Å; V84-D389 PolarHBondContact N-OD2 3.06Å; V84-T391 HydrophobicContact CG1-CG2 4.22Å; V84-T391 HydrophobicContact CG2-CG2 4.08Å; V84-V400 HydrophobicContact CG2-CB 3.92Å; V84-V400 HydrophobicContact CG2-CG1 3.7Å; V84-A402 HydrophobicContact CB-CB 4.08Å; V84-A402 HydrophobicContact CG1-CB 3.97Å
85	S	98.1	Very high	96.6	Very high	25 Å²	25	39.4 Å²	39.4	18%	0.175	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	135	179.5	-179.3	0	0	0	0	111.4	A94 V95 A127 F129	S85-A94 CarbonylContact O-C 3.56Å; S85-A94 WeakPolarHBondContact O-CA 3.41Å; S85-V95 PolarHBondContact N-O 3.18Å; S85-V95 PolarHBondContact O-N 3.12Å; S85-A127 WeakPolarHBondContact CB-O 3.24Å; S85-F129 WeakPolarHBondContact O-CE2 3.19Å
86	L	97.4	Very high	96.7	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.063	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	150.1	174.2	-82.6	164.8	0	0	0	111.5	P88 A94 V108 F129 T391 N393 L398 V400	L86-P88 WeakPolarHBondContact O-CD 3.42Å; L86-A94 HydrophobicContact CD2-CB 4.13Å; L86-V108 HydrophobicContact CD2-CG2 3.92Å; L86-F129 VanDerWaalsContact C-CD2 3.48Å; L86-T391 HydrophobicContact CB-CG2 4.24Å; L86-T391 HydrophobicContact CD1-CG2 3.87Å; L86-T391 HydrophobicContact CG-CG2 3.72Å; L86-N393 HydrophobicContact CD1-CB 4.07Å; L86-L398 HydrophobicContact CD1-CD2 4.19Å; L86-L398 HydrophobicContact CD2-CD2 4.12Å; L86-V400 HydrophobicContact CD1-CG2 4.34Å; L86-V400 HydrophobicContact CD2-CG2 3.89Å; L86-V400 HydrophobicContact CG-CG2 4.16Å
87	D	95.9	Very high	96.7	Very high	8 Å²	8	30 Å²	30	4%	0.043	19%	0.188	C	C	.	.			trans	-58.4	111	167.3	170.2	-30.6	0	0	0	110	A89 T90 N91 L93 F129 S133	D87-A89 VanDerWaalsContact C-N 3.28Å; D87-A89 PolarHBondContact O-N 2.77Å; D87-A89 WeakPolarHBondContact OD1-CA 3.45Å; D87-A89 PolarHBondContact OD1-N 3.01Å; D87-T90 PolarHBondContact OD1-N 2.7Å; D87-T90 PolarHBondContact OD1-OG1 3.46Å; D87-T90 PolarHBondContact OD2-OG1 2.88Å; D87-N91 VanDerWaalsContact O-CA 3.24Å; D87-N91 WeakPolarHBondContact O-CA 3.17Å; D87-N91 PolarHBondContact O-N 3.15Å; D87-L93 HydrophobicContact CB-CB 4.04Å; D87-L93 WeakPolarHBondContact CB-O 3.45Å; D87-L93 PolarHBondContact N-O 3.43Å; D87-F129 HydrophobicContact CB-CD2 4.39Å; D87-F129 HydrophobicContact CB-CE1 4.4Å; D87-F129 HydrophobicContact CB-CE2 4.22Å; D87-F129 HydrophobicContact CB-CZ 4.24Å; D87-S133 WeakPolarHBondContact OD1-CB 3.38Å; D87-S133 PolarHBondContact OD1-OG 3.4Å
88	P	93	Very high	96.7	Very high	75 Å²	75	29.5 Å²	29.5	49%	0.487	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-12.7	-174.8	29.6	-37.5	0	0	0	114.5	L86 S130 S133	L86-P88 WeakPolarHBondContact O-CD 3.42Å; P88-S130 WeakPolarHBondContact CG-O 3.45Å; P88-S133 WeakPolarHBondContact CD-OG 3.12Å; P88-S133 WeakPolarHBondContact CG-OG 3.05Å
89	A	91.1	Very high	96.7	Very high	65 Å²	65	28.2 Å²	28.2	54%	0.537	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-29.2	-178.1	0	0	0	0	0	113.3	D87 S133	D87-A89 VanDerWaalsContact C-N 3.28Å; D87-A89 PolarHBondContact O-N 2.77Å; D87-A89 WeakPolarHBondContact OD1-CA 3.45Å; D87-A89 PolarHBondContact OD1-N 3.01Å; A89-S133 VanDerWaalsContact CB-OG 3.25Å; A89-S133 WeakPolarHBondContact CB-OG 3.46Å; A89-S133 PolarHBondContact N-OG 3.12Å
90	T	89.6	Confident	96.7	Very high	76 Å²	76	29 Å²	29	47%	0.466	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-24.4	-172.9	83.2	0	0	0	0	113.8	D87 S92	D87-T90 PolarHBondContact OD1-N 2.7Å; D87-T90 PolarHBondContact OD1-OG1 3.46Å; D87-T90 PolarHBondContact OD2-OG1 2.88Å; T90-S92 PolarHBondContact O-N 2.75Å; T90-S92 VanDerWaalsContact O-N 3.16Å; T90-S92 WeakPolarHBondContact OG1-CB 3.4Å; T90-S92 PolarHBondContact OG1-N 3.26Å; T90-S92 PolarHBondContact OG1-OG 2.67Å
91	N	90.7	Very high	96.7	Very high	53 Å²	53	31.1 Å²	31.1	28%	0.283	18%	0.184	S	C	.	.	S	Bend	trans	55.7	16.2	-169	-43	-95.8	0	0	0	113.9	D87 N393	D87-N91 VanDerWaalsContact O-CA 3.24Å; D87-N91 WeakPolarHBondContact O-CA 3.17Å; D87-N91 PolarHBondContact O-N 3.15Å; N91-N393 HydrophobicContact CB-CB 4.31Å; N91-N393 WeakPolarHBondContact OD1-CB 3.49Å
92	S	94.5	Very high	96.7	Very high	59 Å²	59	33.3 Å²	33.3	41%	0.413	19%	0.194	S	C	.	.			trans	-90.3	-16.2	-177.6	73	0	0	0	0	113.8	T90 V108	T90-S92 PolarHBondContact O-N 2.75Å; T90-S92 VanDerWaalsContact O-N 3.16Å; T90-S92 WeakPolarHBondContact OG1-CB 3.4Å; T90-S92 PolarHBondContact OG1-N 3.26Å; T90-S92 PolarHBondContact OG1-OG 2.67Å; S92-V108 PolarHBondContact O-N 3.25Å
93	L	97.8	Very high	96.7	Very high	19 Å²	19	30.5 Å²	30.5	10%	0.099	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.3	174.1	-53	176.9	0	0	0	111	D87 V105 W106 R107 V114 F129 V150	D87-L93 HydrophobicContact CB-CB 4.04Å; D87-L93 WeakPolarHBondContact CB-O 3.45Å; D87-L93 PolarHBondContact N-O 3.43Å; L93-V105 HydrophobicContact CB-CG1 4.24Å; L93-V105 HydrophobicContact CD1-CG1 4.16Å; L93-W106 CarbonylContact C-O 3.4Å; L93-W106 WeakPolarHBondContact CA-O 3.37Å; L93-W106 WeakPolarHBondContact CB-O 3.35Å; L93-W106 WeakPolarHBondContact CD2-O 3.34Å; L93-R107 HydrophobicContact CD2-CB 4.33Å; L93-R107 HydrophobicContact CD2-CG 4.37Å; L93-V114 HydrophobicContact CD2-CB 4.49Å; L93-V114 HydrophobicContact CD2-CG2 3.87Å; L93-F129 HydrophobicContact CB-CE1 4.2Å; L93-F129 HydrophobicContact CB-CE2 4.43Å; L93-F129 HydrophobicContact CB-CZ 3.6Å; L93-F129 HydrophobicContact CD1-CE1 4.21Å; L93-F129 HydrophobicContact CD1-CZ 4.38Å; L93-V150 HydrophobicContact CD1-CG1 3.8Å
94	A	98.4	Very high	96.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.6	165.1	0	0	0	0	0	108.7	F74 S85 L86 V105 W106 V108 V400	F74-A94 HydrophobicContact CE2-CB 4.12Å; S85-A94 CarbonylContact O-C 3.56Å; S85-A94 WeakPolarHBondContact O-CA 3.41Å; L86-A94 HydrophobicContact CD2-CB 4.13Å; A94-V105 CarbonylContact O-C 3.59Å; A94-V105 WeakPolarHBondContact O-CA 3.21Å; A94-W106 PolarHBondContact N-O 2.78Å; A94-W106 PolarHBondContact O-N 2.75Å; A94-V108 HydrophobicContact CB-CG2 3.93Å; A94-V400 HydrophobicContact CB-CG2 4.44Å
95	V	98.8	Very high	96.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139	168.1	63.8	0	0	0	0	108.8	V84 S85 A103 Y104 V105 A127 F129 V136	V84-V95 WeakPolarHBondContact CA-O 3.48Å; S85-V95 PolarHBondContact N-O 3.18Å; S85-V95 PolarHBondContact O-N 3.12Å; V95-A103 HydrophobicContact CG2-CB 4.36Å; V95-Y104 VanDerWaalsContact CA-O 3.29Å; V95-Y104 WeakPolarHBondContact CA-O 3.46Å; V95-Y104 WeakPolarHBondContact CG2-O 3.16Å; V95-V105 HydrophobicContact CB-CG2 4.25Å; V95-V105 HydrophobicContact CG2-CG2 3.96Å; V95-A127 HydrophobicContact CG1-CB 4.31Å; V95-A127 HydrophobicContact CG2-CB 3.92Å; V95-F129 HydrophobicContact CB-CE2 3.91Å; V95-F129 HydrophobicContact CB-CZ 4.27Å; V95-F129 HydrophobicContact CG1-CD2 3.87Å; V95-F129 HydrophobicContact CG1-CE2 3.73Å; V95-F129 HydrophobicContact CG1-CZ 4.47Å; V95-V136 HydrophobicContact CB-CG1 4.45Å; V95-V136 HydrophobicContact CG1-CG1 4.5Å; V95-V136 HydrophobicContact CG2-CG1 3.84Å
96	T	98.9	Very high	96.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.3	174.1	58	0	0	0	0	110.2	H77 V81 C83 V84 A103 Y104 W106 A408	H77-T96 WeakPolarHBondContact NE2-CB 3.3Å; H77-T96 PolarHBondContact NE2-OG1 2.83Å; V81-T96 HydrophobicContact CG1-CG2 4.2Å; C83-T96 VanDerWaalsContact O-CA 3.28Å; C83-T96 WeakPolarHBondContact O-CA 3.21Å; V84-T96 HydrophobicContact CB-CG2 4.25Å; V84-T96 HydrophobicContact CG2-CG2 3.95Å; T96-A103 CarbonylContact O-C 3.54Å; T96-A103 WeakPolarHBondContact O-CA 3.4Å; T96-A103 WeakPolarHBondContact O-CB 3.46Å; T96-Y104 PolarHBondContact N-O 3.25Å; T96-Y104 PolarHBondContact O-N 3.32Å; T96-W106 PolarHBondContact OG1-NE1 2.85Å; T96-A408 HydrophobicContact CG2-CB 3.71Å
97	G	98.8	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.9	169.5	0	0	0	0	0	110.9	V81 F82 C83 V124	V81-G97 CarbonylContact C-O 3.59Å; V81-G97 WeakPolarHBondContact CG1-O 3.42Å; F82-G97 PolarHBondContact N-O 2.99Å; C83-G97 PolarHBondContact N-O 3.42Å; C83-G97 PolarHBondContact O-N 2.95Å; C83-G97 VanDerWaalsContact O-N 3.11Å; C83-G97 VanDerWaalsContact SG-CA 3.6Å; G97-V124 CarbonylContact C-O 3.59Å; G97-V124 WeakPolarHBondContact CA-O 3.18Å
98	G	98.5	Very high	96.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	-178.8	-175.3	0	0	0	0	0	115.9	S80 D100 K102 V124	S80-G98 CarbonylContact O-C 3.58Å; S80-G98 WeakPolarHBondContact O-CA 3.39Å; G98-D100 PolarHBondContact O-N 3.47Å; G98-K102 PolarHBondContact N-O 2.72Å; G98-K102 VanDerWaalsContact N-O 3.1Å; G98-V124 PolarHBondContact N-O 3.16Å; G98-V124 PolarHBondContact O-N 3.1Å
99	E	98.6	Very high	96.9	Very high	94 Å²	94	33.2 Å²	33.2	44%	0.439	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-8.1	-176.2	-162.8	-172.5	165	0	0	114	S80 F82 D101	S80-E99 WeakPolarHBondContact CB-OE2 3.46Å; S80-E99 PolarHBondContact N-OE2 2.77Å; S80-E99 PolarHBondContact O-N 3.41Å; S80-E99 PolarHBondContact OG-OE2 3.1Å; F82-E99 HydrophobicContact CE2-CB 3.59Å; F82-E99 HydrophobicContact CE2-CG 4.11Å; F82-E99 HydrophobicContact CZ-CB 3.98Å; F82-E99 HydrophobicContact CZ-CG 4.18Å; E99-D101 VanDerWaalsContact C-N 3.29Å; E99-D101 PolarHBondContact O-N 2.94Å
100	D	98.4	Very high	97.2	Very high	22 Å²	22	33.6 Å²	33.6	12%	0.118	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	27.2	178.8	73	-37.4	0	0	0	114.2	H77 T78 G98 K102	H77-D100 WeakPolarHBondContact CA-OD2 3.38Å; H77-D100 IonicContact CE1-OD1 3.18Å; H77-D100 IonicContact CG-OD1 2.77Å; H77-D100 IonicContact ND1-OD1 3.72Å; H77-D100 PolarHBondContact ND1-OD1 2.87Å; H77-D100 IonicContact ND1-OD2 3.82Å; T78-D100 PolarHBondContact N-OD2 3.47Å; T78-D100 WeakPolarHBondContact OG1-CB 3.15Å; G98-D100 PolarHBondContact O-N 3.47Å; D100-K102 VanDerWaalsContact C-N 3.26Å; D100-K102 WeakPolarHBondContact O-CG 3.35Å; D100-K102 PolarHBondContact O-N 2.65Å
101	D	98.6	Very high	97.5	Very high	69 Å²	69	31 Å²	31	37%	0.369	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	33.9	-175.5	-55.2	-21.2	0	0	0	114.1	E99 D122 S123	E99-D101 VanDerWaalsContact C-N 3.29Å; E99-D101 PolarHBondContact O-N 2.94Å; D101-D122 WeakPolarHBondContact OD1-CA 3.44Å; D101-S123 PolarHBondContact OD1-N 2.84Å
102	K	98.4	Very high	97.8	Very high	47 Å²	47	33.7 Å²	33.7	20%	0.204	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	154	-173.9	-68.6	179.8	-160.2	-170.7	0	114.8	G98 D100 Y104 E116 T118 V124	G98-K102 PolarHBondContact N-O 2.72Å; G98-K102 VanDerWaalsContact N-O 3.1Å; D100-K102 VanDerWaalsContact C-N 3.26Å; D100-K102 WeakPolarHBondContact O-CG 3.35Å; D100-K102 PolarHBondContact O-N 2.65Å; K102-Y104 HydrophobicContact CB-CE2 4.15Å; K102-Y104 HydrophobicContact CD-CE1 4.24Å; K102-Y104 HydrophobicContact CD-CE2 3.94Å; K102-Y104 WeakPolarHBondContact CD-OH 3.44Å; K102-Y104 PolarHBondContact NZ-OH 2.72Å; K102-E116 HydrophobicContact CD-CG 4.5Å; K102-E116 WeakPolarHBondContact CE-OE1 3.5Å; K102-E116 IonicContact NZ-OE1 3.98Å; K102-E116 PolarHBondContact NZ-OE1 2.99Å; K102-T118 HydrophobicContact CD-CG2 4.03Å; K102-T118 HydrophobicContact CG-CG2 3.92Å; K102-V124 WeakPolarHBondContact O-CB 3.44Å
103	A	98.8	Very high	98	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	153.9	151.1	0	0	0	0	0	111.2	V95 T96 C117 V124 A127	V95-A103 HydrophobicContact CG2-CB 4.36Å; T96-A103 CarbonylContact O-C 3.54Å; T96-A103 WeakPolarHBondContact O-CA 3.4Å; T96-A103 WeakPolarHBondContact O-CB 3.46Å; A103-C117 HydrophobicContact CB-CB 3.84Å; A103-C117 PolarHBondContact N-O 3.28Å; A103-C117 WeakPolarHBondContact O-CA 3.46Å; A103-C117 VanDerWaalsContact O-CB 3.29Å; A103-C117 WeakPolarHBondContact O-CB 3.41Å; A103-C117 PolarHBondContact O-N 3.38Å; A103-V124 HydrophobicContact CB-CG1 4.21Å; A103-A127 HydrophobicContact CB-CB 4.3Å
104	Y	98.8	Very high	98	Very high	11 Å²	11	33.6 Å²	33.6	4%	0.043	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.7	170.7	-65.5	-83.1	0	0	0	109.8	K76 H77 V95 T96 K102 W106 V113 M115 E116	K76-Y104 HydrophobicContact CB-CD2 4.3Å; K76-Y104 HydrophobicContact CB-CE1 4.16Å; K76-Y104 HydrophobicContact CB-CE2 3.91Å; K76-Y104 PolarHBondContact O-OH 2.59Å; H77-Y104 AromaticContact CE1-CD2 3.55Å; H77-Y104 AromaticContact CE1-CE2 3.95Å; H77-Y104 AromaticContact ND1-CD2 3.86Å; H77-Y104 AromaticContact ND1-CE2 3.78Å; H77-Y104 AromaticContact NE2-CD2 3.64Å; V95-Y104 VanDerWaalsContact CA-O 3.29Å; V95-Y104 WeakPolarHBondContact CA-O 3.46Å; V95-Y104 WeakPolarHBondContact CG2-O 3.16Å; T96-Y104 PolarHBondContact N-O 3.25Å; T96-Y104 PolarHBondContact O-N 3.32Å; K102-Y104 HydrophobicContact CB-CE2 4.15Å; K102-Y104 HydrophobicContact CD-CE1 4.24Å; K102-Y104 HydrophobicContact CD-CE2 3.94Å; K102-Y104 WeakPolarHBondContact CD-OH 3.44Å; K102-Y104 PolarHBondContact NZ-OH 2.72Å; Y104-W106 HydrophobicContact CD2-CZ2 4.16Å; Y104-W106 HydrophobicContact CG-CZ2 4.09Å; Y104-W106 PolarHBondContact O-NE1 2.8Å; Y104-V113 HydrophobicContact CD1-CG1 3.93Å; Y104-V113 HydrophobicContact CD1-CG2 4.35Å; Y104-M115 WeakPolarHBondContact CA-O 3.19Å; Y104-E116 HydrophobicContact CD1-CB 3.95Å; Y104-E116 HydrophobicContact CD1-CG 4.05Å; Y104-E116 HydrophobicContact CE1-CB 3.98Å; Y104-E116 HydrophobicContact CE1-CG 3.64Å
105	V	98.7	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.9	168.8	-175.6	0	0	0	0	108.3	L93 A94 V95 V113 V114 M115 F129 V136	L93-V105 HydrophobicContact CB-CG1 4.24Å; L93-V105 HydrophobicContact CD1-CG1 4.16Å; A94-V105 CarbonylContact O-C 3.59Å; A94-V105 WeakPolarHBondContact O-CA 3.21Å; V95-V105 HydrophobicContact CB-CG2 4.25Å; V95-V105 HydrophobicContact CG2-CG2 3.96Å; V105-V113 CarbonylContact O-C 3.47Å; V105-V114 HydrophobicContact CG1-CB 4.43Å; V105-V114 WeakPolarHBondContact O-CA 3.24Å; V105-V114 PolarHBondContact O-N 3.48Å; V105-M115 HydrophobicContact CB-CB 3.78Å; V105-M115 HydrophobicContact CG2-CB 3.89Å; V105-M115 HydrophobicContact CG2-CE 4.33Å; V105-M115 PolarHBondContact N-O 3.48Å; V105-M115 PolarHBondContact O-N 3.43Å; V105-M115 VanDerWaalsContact O-N 3.1Å; V105-F129 HydrophobicContact CG1-CE1 4.4Å; V105-F129 HydrophobicContact CG1-CZ 3.97Å; V105-V136 HydrophobicContact CG2-CG1 4.48Å; V105-V136 HydrophobicContact CG2-CG2 4.1Å
106	W	98.6	Very high	98	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.015	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	152.5	-173.4	-52.6	89.1	0	0	0	111	F74 K76 L93 A94 T96 Y104 E112 V113	F74-W106 HydrophobicContact CB-CD2 3.92Å; F74-W106 HydrophobicContact CB-CE3 3.92Å; F74-W106 HydrophobicContact CB-CH2 3.6Å; F74-W106 HydrophobicContact CB-CZ2 3.67Å; F74-W106 HydrophobicContact CB-CZ3 3.76Å; F74-W106 HydrophobicContact CD1-CD2 4.12Å; F74-W106 AromaticContact CD1-CE3 3.84Å; F74-W106 HydrophobicContact CD1-CE3 3.84Å; F74-W106 HydrophobicContact CD1-CG 4.46Å; F74-W106 HydrophobicContact CD1-CZ3 4.27Å; F74-W106 HydrophobicContact CD2-CB 4.11Å; F74-W106 AromaticContact CD2-CD1 3.75Å; F74-W106 AromaticContact CD2-CD2 3.71Å; F74-W106 HydrophobicContact CD2-CD2 3.71Å; F74-W106 AromaticContact CD2-CE2 3.94Å; F74-W106 HydrophobicContact CD2-CE3 4.27Å; F74-W106 AromaticContact CD2-CG 3.6Å; F74-W106 HydrophobicContact CD2-CG 3.6Å; F74-W106 AromaticContact CD2-NE1 3.94Å; F74-W106 HydrophobicContact CE1-CB 4.26Å; F74-W106 HydrophobicContact CE1-CE3 4.46Å; F74-W106 HydrophobicContact CE2-CB 3.71Å; F74-W106 AromaticContact CE2-CD1 3.98Å; F74-W106 HydrophobicContact CE2-CD2 4.24Å; F74-W106 AromaticContact CE2-CG 3.71Å; F74-W106 HydrophobicContact CE2-CG 3.71Å; F74-W106 AromaticContact CG-CD2 3.65Å; F74-W106 HydrophobicContact CG-CD2 3.65Å; F74-W106 AromaticContact CG-CE2 3.97Å; F74-W106 AromaticContact CG-CE3 3.75Å; F74-W106 HydrophobicContact CG-CE3 3.75Å; F74-W106 HydrophobicContact CG-CG 4.02Å; F74-W106 HydrophobicContact CG-CH2 4.35Å; F74-W106 HydrophobicContact CG-CZ2 4.34Å; F74-W106 HydrophobicContact CG-CZ3 4.09Å; F74-W106 HydrophobicContact CZ-CB 3.79Å; F74-W106 HydrophobicContact CZ-CG 4.19Å; K76-W106 HydrophobicContact CB-CH2 3.46Å; K76-W106 VanDerWaalsContact CB-CH2 3.46Å; K76-W106 HydrophobicContact CB-CZ2 4.05Å; K76-W106 HydrophobicContact CB-CZ3 4.39Å; K76-W106 HydrophobicContact CG-CH2 3.45Å; K76-W106 VanDerWaalsContact CG-CH2 3.45Å; K76-W106 HydrophobicContact CG-CZ2 4.44Å; K76-W106 HydrophobicContact CG-CZ3 3.9Å; L93-W106 CarbonylContact C-O 3.4Å; L93-W106 WeakPolarHBondContact CA-O 3.37Å; L93-W106 WeakPolarHBondContact CB-O 3.35Å; L93-W106 WeakPolarHBondContact CD2-O 3.34Å; A94-W106 PolarHBondContact N-O 2.78Å; A94-W106 PolarHBondContact O-N 2.75Å; T96-W106 PolarHBondContact OG1-NE1 2.85Å; Y104-W106 HydrophobicContact CD2-CZ2 4.16Å; Y104-W106 HydrophobicContact CG-CZ2 4.09Å; Y104-W106 PolarHBondContact O-NE1 2.8Å; W106-E112 CarbonylContact C-O 3.56Å; W106-E112 WeakPolarHBondContact CA-O 3.21Å; W106-V113 HydrophobicContact CD2-CG2 4.44Å; W106-V113 HydrophobicContact CE3-CG2 3.77Å; W106-V113 HydrophobicContact CH2-CG2 4.06Å; W106-V113 HydrophobicContact CZ3-CG2 3.57Å
107	R	98	Very high	97.9	Very high	74 Å²	74	38.6 Å²	38.6	28%	0.279	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.3	163.8	-163.6	-170.9	-50.9	121.4	14.9	110.1	L93 S109 D110 G111 E112 V114	L93-R107 HydrophobicContact CD2-CB 4.33Å; L93-R107 HydrophobicContact CD2-CG 4.37Å; R107-S109 WeakPolarHBondContact CD-OG 3.26Å; R107-S109 WeakPolarHBondContact CG-OG 3.44Å; R107-S109 PolarHBondContact O-N 2.76Å; R107-D110 WeakPolarHBondContact CD-OD2 3.02Å; R107-D110 IonicContact CZ-OD1 3.18Å; R107-D110 IonicContact CZ-OD2 3.67Å; R107-D110 IonicContact NE-OD2 3.2Å; R107-D110 VanDerWaalsContact NH1-CG 3.27Å; R107-D110 IonicContact NH1-OD1 2.81Å; R107-D110 PolarHBondContact NH1-OD1 2.95Å; R107-D110 VanDerWaalsContact NH1-OD1 3.12Å; R107-D110 IonicContact NH1-OD2 3.35Å; R107-D110 PolarHBondContact NH1-OD2 3.26Å; R107-D110 PolarHBondContact O-N 2.7Å; R107-G111 WeakPolarHBondContact O-CA 3.41Å; R107-G111 PolarHBondContact O-N 2.95Å; R107-E112 IonicContact CZ-OE2 2.7Å; R107-E112 PolarHBondContact N-O 2.88Å; R107-E112 IonicContact NH1-OE2 2.65Å; R107-E112 PolarHBondContact NH1-OE2 2.57Å; R107-E112 IonicContact NH2-OE2 2.87Å; R107-E112 PolarHBondContact NH2-OE2 3.04Å; R107-V114 HydrophobicContact CB-CG2 3.93Å
108	V	96.4	Very high	97.9	Very high	14 Å²	14	41.8 Å²	41.8	9%	0.085	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-16	-173.4	177.2	0	0	0	0	112.9	L72 L86 S92 A94 L398 V410	L72-V108 WeakPolarHBondContact CD1-O 3.31Å; L86-V108 HydrophobicContact CD2-CG2 3.92Å; S92-V108 PolarHBondContact O-N 3.25Å; A94-V108 HydrophobicContact CB-CG2 3.93Å; V108-L398 HydrophobicContact CG1-CD1 3.81Å; V108-L398 HydrophobicContact CG1-CD2 3.64Å; V108-L398 HydrophobicContact CG1-CG 4.38Å; V108-V410 HydrophobicContact CG1-CG1 4.28Å
109	S	95.2	Very high	97.9	Very high	91 Å²	91	44.1 Å²	44.1	64%	0.636	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.5	-179.5	56.9	0	0	0	0	115.7	R107	R107-S109 WeakPolarHBondContact CD-OG 3.26Å; R107-S109 WeakPolarHBondContact CG-OG 3.44Å; R107-S109 PolarHBondContact O-N 2.76Å
110	D	96.1	Very high	97.8	Very high	72 Å²	72	40.4 Å²	40.4	39%	0.385	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-156.5	-6.4	-170.4	48	49.3	0	0	0	115.1	R107 E112	R107-D110 WeakPolarHBondContact CD-OD2 3.02Å; R107-D110 IonicContact CZ-OD1 3.18Å; R107-D110 IonicContact CZ-OD2 3.67Å; R107-D110 IonicContact NE-OD2 3.2Å; R107-D110 VanDerWaalsContact NH1-CG 3.27Å; R107-D110 IonicContact NH1-OD1 2.81Å; R107-D110 PolarHBondContact NH1-OD1 2.95Å; R107-D110 VanDerWaalsContact NH1-OD1 3.12Å; R107-D110 IonicContact NH1-OD2 3.35Å; R107-D110 PolarHBondContact NH1-OD2 3.26Å; R107-D110 PolarHBondContact O-N 2.7Å; D110-E112 VanDerWaalsContact C-N 3.3Å; D110-E112 PolarHBondContact O-N 3.2Å; D110-E112 WeakPolarHBondContact OD1-CB 3.05Å; D110-E112 PolarHBondContact OD1-N 3.2Å
111	G	96.1	Very high	97.8	Very high	21 Å²	21	44.2 Å²	44.2	22%	0.216	25%	0.245	C	C	.	.			trans	75	12.3	-178.9	0	0	0	0	0	114.7	R107 V113	R107-G111 WeakPolarHBondContact O-CA 3.41Å; R107-G111 PolarHBondContact O-N 2.95Å; G111-V113 PolarHBondContact O-N 3.42Å
112	E	97.8	Very high	97.8	Very high	110 Å²	110	44 Å²	44	51%	0.514	24%	0.244	S	C	.	.			trans	-66	130.3	172.8	-76.7	-162.6	150.6	0	0	111.5	W106 R107 D110 V114	W106-E112 CarbonylContact C-O 3.56Å; W106-E112 WeakPolarHBondContact CA-O 3.21Å; R107-E112 IonicContact CZ-OE2 2.7Å; R107-E112 PolarHBondContact N-O 2.88Å; R107-E112 IonicContact NH1-OE2 2.65Å; R107-E112 PolarHBondContact NH1-OE2 2.57Å; R107-E112 IonicContact NH2-OE2 2.87Å; R107-E112 PolarHBondContact NH2-OE2 3.04Å; D110-E112 VanDerWaalsContact C-N 3.3Å; D110-E112 PolarHBondContact O-N 3.2Å; D110-E112 WeakPolarHBondContact OD1-CB 3.05Å; D110-E112 PolarHBondContact OD1-N 3.2Å; E112-V114 PolarHBondContact O-N 2.74Å; E112-V114 VanDerWaalsContact O-N 3.14Å
113	V	98.4	Very high	97.8	Very high	53 Å²	53	42.3 Å²	42.3	32%	0.321	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	111.4	166.7	178	0	0	0	0	108.9	K76 Y104 V105 W106 G111 M115	K76-V113 HydrophobicContact CG-CG2 3.94Å; Y104-V113 HydrophobicContact CD1-CG1 3.93Å; Y104-V113 HydrophobicContact CD1-CG2 4.35Å; V105-V113 CarbonylContact O-C 3.47Å; W106-V113 HydrophobicContact CD2-CG2 4.44Å; W106-V113 HydrophobicContact CE3-CG2 3.77Å; W106-V113 HydrophobicContact CH2-CG2 4.06Å; W106-V113 HydrophobicContact CZ3-CG2 3.57Å; G111-V113 PolarHBondContact O-N 3.42Å; V113-M115 VanDerWaalsContact CG1-O 3.3Å; V113-M115 WeakPolarHBondContact CG1-O 3.22Å
114	V	97.8	Very high	97.8	Very high	24 Å²	24	42.3 Å²	42.3	15%	0.145	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-36.3	173.6	179.8	0	0	0	0	110.6	L93 V105 R107 E112 K153	L93-V114 HydrophobicContact CD2-CB 4.49Å; L93-V114 HydrophobicContact CD2-CG2 3.87Å; V105-V114 HydrophobicContact CG1-CB 4.43Å; V105-V114 WeakPolarHBondContact O-CA 3.24Å; V105-V114 PolarHBondContact O-N 3.48Å; R107-V114 HydrophobicContact CB-CG2 3.93Å; E112-V114 PolarHBondContact O-N 2.74Å; E112-V114 VanDerWaalsContact O-N 3.14Å; V114-K153 VanDerWaalsContact O-CD 3.27Å; V114-K153 WeakPolarHBondContact O-CD 3.03Å; V114-K153 WeakPolarHBondContact O-CE 3.15Å; V114-K153 PolarHBondContact O-NZ 3.02Å
115	M	98	Very high	97.7	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.039	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.7	177.9	-158.2	-175.6	-42.5	0	0	111	Y104 V105 V113 W148 K153	Y104-M115 WeakPolarHBondContact CA-O 3.19Å; V105-M115 HydrophobicContact CB-CB 3.78Å; V105-M115 HydrophobicContact CG2-CB 3.89Å; V105-M115 HydrophobicContact CG2-CE 4.33Å; V105-M115 PolarHBondContact N-O 3.48Å; V105-M115 PolarHBondContact O-N 3.43Å; V105-M115 VanDerWaalsContact O-N 3.1Å; V113-M115 VanDerWaalsContact CG1-O 3.3Å; V113-M115 WeakPolarHBondContact CG1-O 3.22Å; M115-W148 HydrophobicContact CE-CB 4.3Å; M115-W148 HydrophobicContact SD-CB 3.69Å; M115-W148 HydrophobicContact SD-CD2 4.3Å; M115-W148 HydrophobicContact SD-CE3 4.15Å; M115-W148 HydrophobicContact SD-CG 4.13Å; M115-K153 HydrophobicContact CE-CB 4.36Å; M115-K153 HydrophobicContact CE-CG 4.35Å; M115-K153 HydrophobicContact CG-CB 4.09Å; M115-K153 HydrophobicContact SD-CB 4.4Å
116	E	98.3	Very high	97.7	Very high	96 Å²	96	44.4 Å²	44.4	45%	0.449	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.9	169.5	170.9	169.9	-166.7	0	0	107.6	K102 Y104 T118	K102-E116 HydrophobicContact CD-CG 4.5Å; K102-E116 WeakPolarHBondContact CE-OE1 3.5Å; K102-E116 IonicContact NZ-OE1 3.98Å; K102-E116 PolarHBondContact NZ-OE1 2.99Å; Y104-E116 HydrophobicContact CD1-CB 3.95Å; Y104-E116 HydrophobicContact CD1-CG 4.05Å; Y104-E116 HydrophobicContact CE1-CB 3.98Å; Y104-E116 HydrophobicContact CE1-CG 3.64Å; E116-T118 HydrophobicContact CG-CG2 3.66Å
117	C	98.2	Very high	97.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	87.3	-171.2	-65	0	0	0	0	109.5	A103 W148	A103-C117 HydrophobicContact CB-CB 3.84Å; A103-C117 PolarHBondContact N-O 3.28Å; A103-C117 WeakPolarHBondContact O-CA 3.46Å; A103-C117 VanDerWaalsContact O-CB 3.29Å; A103-C117 WeakPolarHBondContact O-CB 3.41Å; A103-C117 PolarHBondContact O-N 3.38Å; C117-W148 VanDerWaalsContact CA-CZ2 3.49Å; C117-W148 HydrophobicContact CB-CD2 4.06Å; C117-W148 VanDerWaalsContact CB-CE2 3.45Å; C117-W148 HydrophobicContact CB-CH2 4.17Å; C117-W148 HydrophobicContact CB-CZ2 3.51Å
118	T	98	Very high	97.7	Very high	67 Å²	67	43 Å²	43	41%	0.411	25%	0.251	S	S	.	.			trans	-104.9	165.6	-172.4	46.8	0	0	0	0	114.2	K102 E116 W148	K102-T118 HydrophobicContact CD-CG2 4.03Å; K102-T118 HydrophobicContact CG-CG2 3.92Å; E116-T118 HydrophobicContact CG-CG2 3.66Å; T118-W148 WeakPolarHBondContact O-CH2 3.3Å
119	G	97.8	Very high	97.8	Very high	50 Å²	50	42.9 Å²	42.9	52%	0.515	25%	0.249	S	C	.	.			trans	89	21	176.2	0	0	0	0	0	113.6	K146	G119-K146 WeakPolarHBondContact O-CE 3.49Å
120	H	98.5	Very high	98	Very high	15 Å²	15	38.6 Å²	38.6	7%	0.069	22%	0.219	C	C	.	.			trans	-63.4	169.3	152	-75.3	-73.5	0	0	0	110.3	V124 S138 D140 L144	H120-V124 HydrophobicContact CB-CG2 3.95Å; H120-S138 PolarHBondContact CE1-OG 2.72Å; H120-S138 WeakPolarHBondContact NE2-CB 3.35Å; H120-S138 PolarHBondContact NE2-OG 2.9Å; H120-D140 VanDerWaalsContact CA-OD2 3.27Å; H120-D140 WeakPolarHBondContact CA-OD2 3.43Å; H120-D140 HydrophobicContact CB-CB 4.13Å; H120-D140 WeakPolarHBondContact CB-OD2 3.48Å; H120-D140 IonicContact CG-OD2 3.77Å; H120-D140 IonicContact ND1-OD2 2.72Å; H120-D140 PolarHBondContact ND1-OD2 2.95Å; H120-L144 PolarHBondContact CE1-O 2.96Å; H120-L144 PolarHBondContact ND1-O 3.33Å
121	K	97.7	Very high	97.8	Very high	103 Å²	103	38.3 Å²	38.3	45%	0.448	22%	0.215	S	C	.	.	S	Bend	trans	-110.9	-9.3	179.9	-46.9	-178.2	-167.4	177.5	0	114.1	D140 L144 E160	K121-D140 PolarHBondContact N-OD2 3.05Å; K121-L144 HydrophobicContact CG-CD2 3.91Å; K121-E160 IonicContact NZ-OE1 2.98Å; K121-E160 PolarHBondContact NZ-OE1 3.3Å; K121-E160 IonicContact NZ-OE2 3.17Å; K121-E160 PolarHBondContact NZ-OE2 3.48Å
122	D	97.9	Very high	97.8	Very high	64 Å²	64	40.8 Å²	40.8	34%	0.342	22%	0.224	S	C	.	.	S	Bend	trans	-162.2	178.9	-170.1	-150.6	-35.8	0	0	0	108.3	D101 V124 D140 M141	D101-D122 WeakPolarHBondContact OD1-CA 3.44Å; D122-V124 PolarHBondContact O-N 2.9Å; D122-D140 HydrophobicContact CB-CB 4.39Å; D122-D140 VanDerWaalsContact O-CB 3.24Å; D122-D140 WeakPolarHBondContact O-CB 3.46Å; D122-M141 HydrophobicContact CB-CB 4.27Å
123	S	98.4	Very high	97.8	Very high	12 Å²	12	36.2 Å²	36.2	8%	0.084	20%	0.203	C	C	.	.			trans	-50.3	129.4	178.9	-66.2	0	0	0	0	113.3	D101 T125 D140 M141	D101-S123 PolarHBondContact OD1-N 2.84Å; S123-T125 PolarHBondContact O-N 2.87Å; S123-D140 CarbonylContact O-C 3.5Å; S123-D140 WeakPolarHBondContact O-CA 3.49Å; S123-D140 WeakPolarHBondContact O-CB 3.44Å; S123-M141 PolarHBondContact O-N 2.94Å
124	V	98.8	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.203	C	C	.	.			trans	-86.7	93.3	179.9	-177.2	0	0	0	0	110.4	G97 G98 K102 A103 H120 D122 D140	G97-V124 CarbonylContact C-O 3.59Å; G97-V124 WeakPolarHBondContact CA-O 3.18Å; G98-V124 PolarHBondContact N-O 3.16Å; G98-V124 PolarHBondContact O-N 3.1Å; K102-V124 WeakPolarHBondContact O-CB 3.44Å; A103-V124 HydrophobicContact CB-CG1 4.21Å; H120-V124 HydrophobicContact CB-CG2 3.95Å; D122-V124 PolarHBondContact O-N 2.9Å; V124-D140 HydrophobicContact CG2-CB 4.39Å
125	T	98.2	Very high	97.7	Very high	38 Å²	38	35.3 Å²	35.3	23%	0.233	20%	0.199	C	C	.	.			trans	-82.4	-18	-178.9	51.5	0	0	0	0	114.1	C83 S123 G139 M141	C83-T125 WeakPolarHBondContact CB-O 3.2Å; C83-T125 VanDerWaalsContact SG-C 3.59Å; C83-T125 PolarHBondContact SG-O 2.78Å; S123-T125 PolarHBondContact O-N 2.87Å; T125-G139 PolarHBondContact N-O 3.25Å; T125-M141 HydrophobicContact CG2-CE 3.39Å; T125-M141 HydrophobicContact CG2-CG 3.55Å; T125-M141 HydrophobicContact CG2-SD 4.32Å
126	C	98	Very high	97.8	Very high	17 Å²	17	34.9 Å²	34.9	12%	0.115	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125	179.7	-76	0	0	0	0	111.1	S138 G139 L167	C126-S138 CarbonylContact O-C 3.54Å; C126-S138 VanDerWaalsContact O-CA 3.22Å; C126-S138 WeakPolarHBondContact O-CA 3.05Å; C126-G139 PolarHBondContact N-O 3.22Å; C126-G139 PolarHBondContact O-N 3.1Å; C126-L167 HydrophobicContact CB-CB 3.71Å; C126-L167 HydrophobicContact CB-CD2 4.02Å
127	A	98.6	Very high	97.8	Very high	5 Å²	5	30.3 Å²	30.3	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	123.7	172.4	0	0	0	0	0	111.6	C83 S85 V95 A103 A137	C83-A127 PolarHBondContact SG-N 3.25Å; S85-A127 WeakPolarHBondContact CB-O 3.24Å; V95-A127 HydrophobicContact CG1-CB 4.31Å; V95-A127 HydrophobicContact CG2-CB 3.92Å; A103-A127 HydrophobicContact CB-CB 4.3Å; A127-A137 WeakPolarHBondContact CA-O 3.4Å
128	M	98.6	Very high	97.8	Very high	44 Å²	44	30.3 Å²	30.3	22%	0.217	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	146.6	-173.7	53.7	171	69.1	0	0	116	V136 A137 L167 W169	M128-V136 CarbonylContact O-C 3.15Å; M128-V136 WeakPolarHBondContact O-CA 3.44Å; M128-A137 PolarHBondContact N-O 3.39Å; M128-A137 PolarHBondContact O-N 3.41Å; M128-L167 WeakPolarHBondContact CE-O 3.28Å; M128-W169 PolarHBondContact O-NE1 2.81Å; M128-W169 HydrophobicContact SD-CG 4.38Å
129	F	98.5	Very high	97.8	Very high	11 Å²	11	27.1 Å²	27.1	5%	0.048	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	148.1	172.3	-70.1	-85.7	0	0	0	112.8	S85 L86 D87 L93 V95 V105 L135 V136 V150	S85-F129 WeakPolarHBondContact O-CE2 3.19Å; L86-F129 VanDerWaalsContact C-CD2 3.48Å; D87-F129 HydrophobicContact CB-CD2 4.39Å; D87-F129 HydrophobicContact CB-CE1 4.4Å; D87-F129 HydrophobicContact CB-CE2 4.22Å; D87-F129 HydrophobicContact CB-CZ 4.24Å; L93-F129 HydrophobicContact CB-CE1 4.2Å; L93-F129 HydrophobicContact CB-CE2 4.43Å; L93-F129 HydrophobicContact CB-CZ 3.6Å; L93-F129 HydrophobicContact CD1-CE1 4.21Å; L93-F129 HydrophobicContact CD1-CZ 4.38Å; V95-F129 HydrophobicContact CB-CE2 3.91Å; V95-F129 HydrophobicContact CB-CZ 4.27Å; V95-F129 HydrophobicContact CG1-CD2 3.87Å; V95-F129 HydrophobicContact CG1-CE2 3.73Å; V95-F129 HydrophobicContact CG1-CZ 4.47Å; V105-F129 HydrophobicContact CG1-CE1 4.4Å; V105-F129 HydrophobicContact CG1-CZ 3.97Å; F129-L135 WeakPolarHBondContact CA-O 3.29Å; F129-V136 HydrophobicContact CD1-CG2 3.49Å; F129-V136 VanDerWaalsContact CD1-CG2 3.49Å; F129-V136 HydrophobicContact CE1-CG2 3.48Å; F129-V136 VanDerWaalsContact CE1-CG2 3.48Å; F129-V136 HydrophobicContact CG-CG2 4.14Å; F129-V136 HydrophobicContact CZ-CG2 4.13Å; F129-V150 HydrophobicContact CD1-CG2 4.34Å; F129-V150 HydrophobicContact CE1-CG2 4.17Å
130	S	97.8	Very high	97.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.			trans	-65.9	158.1	166	57.9	0	0	0	0	111.8	P88 D132 S133 S134 L135	P88-S130 WeakPolarHBondContact CG-O 3.45Å; S130-D132 WeakPolarHBondContact CB-OD1 3.44Å; S130-D132 PolarHBondContact O-N 2.71Å; S130-D132 PolarHBondContact OG-OD1 2.83Å; S130-S133 WeakPolarHBondContact O-CA 3.14Å; S130-S133 PolarHBondContact O-N 2.77Å; S130-S134 PolarHBondContact OG-N 3.38Å; S130-L135 PolarHBondContact N-O 3.11Å; S130-L135 PolarHBondContact OG-N 3.39Å; S130-L135 PolarHBondContact OG-O 2.76Å
131	H	93.6	Very high	97.8	Very high	67 Å²	67	28 Å²	28	31%	0.31	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-22	177.3	71.4	-75.8	0	0	0	115.3	P171 A173	H131-P171 WeakPolarHBondContact CB-O 3.29Å; H131-A173 VanDerWaalsContact CE1-CA 3.43Å; H131-A173 WeakPolarHBondContact CE1-CA 3.37Å; H131-A173 PolarHBondContact CE1-N 2.81Å; H131-A173 PolarHBondContact CE1-O 3.14Å; H131-A173 PolarHBondContact ND1-N 3.01Å; H131-A173 PolarHBondContact ND1-O 2.85Å
132	D	95.4	Very high	97.7	Very high	73 Å²	73	24.6 Å²	24.6	39%	0.39	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	3.7	177.4	68.8	-17.1	0	0	0	113.3	S130 S134	S130-D132 WeakPolarHBondContact CB-OD1 3.44Å; S130-D132 PolarHBondContact O-N 2.71Å; S130-D132 PolarHBondContact OG-OD1 2.83Å; D132-S134 PolarHBondContact O-N 3.02Å; D132-S134 VanDerWaalsContact O-N 3.09Å; D132-S134 PolarHBondContact OD1-N 3.1Å; D132-S134 PolarHBondContact OD1-OG 2.87Å; D132-S134 WeakPolarHBondContact OD2-CB 3.27Å; D132-S134 PolarHBondContact OD2-OG 2.85Å
133	S	96.7	Very high	97.6	Very high	13 Å²	13	21.5 Å²	21.5	9%	0.091	12%	0.121	C	C	.	.	S	Bend	trans	57.9	15.4	-178.3	-44.5	0	0	0	0	115.2	D87 P88 A89 S130	D87-S133 WeakPolarHBondContact OD1-CB 3.38Å; D87-S133 PolarHBondContact OD1-OG 3.4Å; P88-S133 WeakPolarHBondContact CD-OG 3.12Å; P88-S133 WeakPolarHBondContact CG-OG 3.05Å; A89-S133 VanDerWaalsContact CB-OG 3.25Å; A89-S133 WeakPolarHBondContact CB-OG 3.46Å; A89-S133 PolarHBondContact N-OG 3.12Å; S130-S133 WeakPolarHBondContact O-CA 3.14Å; S130-S133 PolarHBondContact O-N 2.77Å
134	S	97.3	Very high	97.6	Very high	46 Å²	46	21.8 Å²	21.8	32%	0.322	12%	0.121	S	C	.	.	S	Bend	trans	-82	-23.3	179.6	73	0	0	0	0	113.3	S130 D132 V150	S130-S134 PolarHBondContact OG-N 3.38Å; D132-S134 PolarHBondContact O-N 3.02Å; D132-S134 VanDerWaalsContact O-N 3.09Å; D132-S134 PolarHBondContact OD1-N 3.1Å; D132-S134 PolarHBondContact OD1-OG 2.87Å; D132-S134 WeakPolarHBondContact OD2-CB 3.27Å; D132-S134 PolarHBondContact OD2-OG 2.85Å; S134-V150 PolarHBondContact O-N 2.87Å
135	L	98.4	Very high	97.6	Very high	12 Å²	12	21.8 Å²	21.8	6%	0.063	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.9	-178.4	-54.9	178.1	0	0	0	111.3	F129 S130 V147 W148 K149 I156 W169 P174 I190	F129-L135 WeakPolarHBondContact CA-O 3.29Å; S130-L135 PolarHBondContact N-O 3.11Å; S130-L135 PolarHBondContact OG-N 3.39Å; S130-L135 PolarHBondContact OG-O 2.76Å; L135-V147 HydrophobicContact CB-CG1 3.97Å; L135-V147 HydrophobicContact CD1-CG1 4.14Å; L135-V147 HydrophobicContact CD2-CG1 4.33Å; L135-V147 HydrophobicContact CG-CG1 4.37Å; L135-W148 CarbonylContact C-O 3.57Å; L135-W148 VanDerWaalsContact CA-O 3.29Å; L135-W148 WeakPolarHBondContact CA-O 3.48Å; L135-K149 HydrophobicContact CD2-CB 4.23Å; L135-K149 HydrophobicContact CD2-CG 4.25Å; L135-I156 HydrophobicContact CD2-CD1 3.48Å; L135-I156 VanDerWaalsContact CD2-CD1 3.48Å; L135-W169 HydrophobicContact CB-CH2 3.95Å; L135-W169 HydrophobicContact CB-CZ2 3.81Å; L135-W169 HydrophobicContact CD1-CH2 3.62Å; L135-W169 HydrophobicContact CD1-CZ2 4.35Å; L135-W169 HydrophobicContact CD1-CZ3 4.2Å; L135-W169 HydrophobicContact CG-CH2 4.44Å; L135-P174 HydrophobicContact CD1-CB 4.19Å; L135-I190 HydrophobicContact CD1-CG2 4.02Å
136	V	98.7	Very high	97.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.1	164.7	166.8	0	0	0	0	107.7	V95 V105 M128 F129 V147 W148 V150	V95-V136 HydrophobicContact CB-CG1 4.45Å; V95-V136 HydrophobicContact CG1-CG1 4.5Å; V95-V136 HydrophobicContact CG2-CG1 3.84Å; V105-V136 HydrophobicContact CG2-CG1 4.48Å; V105-V136 HydrophobicContact CG2-CG2 4.1Å; M128-V136 CarbonylContact O-C 3.15Å; M128-V136 WeakPolarHBondContact O-CA 3.44Å; F129-V136 HydrophobicContact CD1-CG2 3.49Å; F129-V136 VanDerWaalsContact CD1-CG2 3.49Å; F129-V136 HydrophobicContact CE1-CG2 3.48Å; F129-V136 VanDerWaalsContact CE1-CG2 3.48Å; F129-V136 HydrophobicContact CG-CG2 4.14Å; F129-V136 HydrophobicContact CZ-CG2 4.13Å; V136-V147 CarbonylContact O-C 3.51Å; V136-V147 WeakPolarHBondContact O-CA 3.5Å; V136-V147 WeakPolarHBondContact O-CG1 3.4Å; V136-W148 HydrophobicContact CB-CB 4.47Å; V136-W148 PolarHBondContact N-O 2.98Å; V136-W148 PolarHBondContact O-N 3.01Å; V136-V150 HydrophobicContact CG2-CG2 3.87Å
137	A	98.8	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.7	166.3	0	0	0	0	0	109.5	A127 M128 K146 V147 L167 W169 L176	A127-A137 WeakPolarHBondContact CA-O 3.4Å; M128-A137 PolarHBondContact N-O 3.39Å; M128-A137 PolarHBondContact O-N 3.41Å; A137-K146 WeakPolarHBondContact CA-O 3.48Å; A137-V147 HydrophobicContact CB-CG2 4.14Å; A137-L167 HydrophobicContact CB-CD2 3.9Å; A137-W169 HydrophobicContact CB-CZ2 3.65Å; A137-L176 HydrophobicContact CB-CD1 3.79Å; A137-L176 HydrophobicContact CB-CD2 4.02Å
138	S	98.8	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.5	168.3	55.8	0	0	0	0	109.9	H120 C126 I145 K146 W148	H120-S138 PolarHBondContact CE1-OG 2.72Å; H120-S138 WeakPolarHBondContact NE2-CB 3.35Å; H120-S138 PolarHBondContact NE2-OG 2.9Å; C126-S138 CarbonylContact O-C 3.54Å; C126-S138 VanDerWaalsContact O-CA 3.22Å; C126-S138 WeakPolarHBondContact O-CA 3.05Å; S138-I145 CarbonylContact O-C 3.53Å; S138-I145 WeakPolarHBondContact O-CA 3.18Å; S138-K146 PolarHBondContact N-O 2.97Å; S138-K146 PolarHBondContact O-N 2.87Å; S138-W148 PolarHBondContact OG-NE1 3.47Å
139	G	98.6	Very high	97.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.4	179.6	0	0	0	0	0	111.1	T125 C126	T125-G139 PolarHBondContact N-O 3.25Å; C126-G139 PolarHBondContact N-O 3.22Å; C126-G139 PolarHBondContact O-N 3.1Å
140	D	98.2	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.			trans	-106.3	164	179.1	62.8	45.9	0	0	0	113.9	H120 K121 D122 S123 V124 S142 G143 L144	H120-D140 VanDerWaalsContact CA-OD2 3.27Å; H120-D140 WeakPolarHBondContact CA-OD2 3.43Å; H120-D140 HydrophobicContact CB-CB 4.13Å; H120-D140 WeakPolarHBondContact CB-OD2 3.48Å; H120-D140 IonicContact CG-OD2 3.77Å; H120-D140 IonicContact ND1-OD2 2.72Å; H120-D140 PolarHBondContact ND1-OD2 2.95Å; K121-D140 PolarHBondContact N-OD2 3.05Å; D122-D140 HydrophobicContact CB-CB 4.39Å; D122-D140 VanDerWaalsContact O-CB 3.24Å; D122-D140 WeakPolarHBondContact O-CB 3.46Å; S123-D140 CarbonylContact O-C 3.5Å; S123-D140 WeakPolarHBondContact O-CA 3.49Å; S123-D140 WeakPolarHBondContact O-CB 3.44Å; V124-D140 HydrophobicContact CG2-CB 4.39Å; D140-S142 PolarHBondContact O-N 2.98Å; D140-S142 WeakPolarHBondContact OD1-CA 3.13Å; D140-S142 WeakPolarHBondContact OD1-CB 3.27Å; D140-S142 PolarHBondContact OD1-N 2.94Å; D140-S142 VanDerWaalsContact OD1-N 3.13Å; D140-S142 PolarHBondContact OD1-OG 2.92Å; D140-G143 PolarHBondContact O-N 3.13Å; D140-G143 PolarHBondContact OD1-N 3.35Å; D140-L144 PolarHBondContact N-O 2.82Å; D140-L144 PolarHBondContact OD1-N 2.91Å; D140-L144 WeakPolarHBondContact OD2-CB 3.24Å
141	M	96.6	Very high	97.6	Very high	83 Å²	83	29.2 Å²	29.2	41%	0.409	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29	178.9	-66.7	-172.5	-177.4	0	0	113.3	F82 D122 S123 T125 G143	F82-M141 HydrophobicContact CE2-CE 4.35Å; F82-M141 HydrophobicContact CZ-CE 4.48Å; D122-M141 HydrophobicContact CB-CB 4.27Å; S123-M141 PolarHBondContact O-N 2.94Å; T125-M141 HydrophobicContact CG2-CE 3.39Å; T125-M141 HydrophobicContact CG2-CG 3.55Å; T125-M141 HydrophobicContact CG2-SD 4.32Å; M141-G143 PolarHBondContact O-N 2.69Å
142	S	96.2	Very high	97.8	Very high	31 Å²	31	28.9 Å²	28.9	22%	0.217	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.1	176.3	85.6	0	0	0	0	114	D140	D140-S142 PolarHBondContact O-N 2.98Å; D140-S142 WeakPolarHBondContact OD1-CA 3.13Å; D140-S142 WeakPolarHBondContact OD1-CB 3.27Å; D140-S142 PolarHBondContact OD1-N 2.94Å; D140-S142 VanDerWaalsContact OD1-N 3.13Å; D140-S142 PolarHBondContact OD1-OG 2.92Å
143	G	96.6	Very high	97.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	88.9	11.1	-178.2	0	0	0	0	0	115.1	D140 M141 I145 E160 V161 G162	D140-G143 PolarHBondContact O-N 3.13Å; D140-G143 PolarHBondContact OD1-N 3.35Å; M141-G143 PolarHBondContact O-N 2.69Å; G143-I145 PolarHBondContact O-N 3.18Å; G143-E160 WeakPolarHBondContact O-CA 3.42Å; G143-V161 VanDerWaalsContact O-CG2 3.28Å; G143-V161 WeakPolarHBondContact O-CG2 3.49Å; G143-V161 PolarHBondContact O-N 3.19Å; G143-G162 WeakPolarHBondContact CA-O 3.26Å
144	L	98.4	Very high	97.9	Very high	18 Å²	18	35.6 Å²	35.6	9%	0.094	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	108.3	176.2	171.7	61.6	0	0	0	110.4	H120 K121 D140 K146	H120-L144 PolarHBondContact CE1-O 2.96Å; H120-L144 PolarHBondContact ND1-O 3.33Å; K121-L144 HydrophobicContact CG-CD2 3.91Å; D140-L144 PolarHBondContact N-O 2.82Å; D140-L144 PolarHBondContact OD1-N 2.91Å; D140-L144 WeakPolarHBondContact OD2-CB 3.24Å; L144-K146 HydrophobicContact CG-CG 4.48Å
145	I	98.7	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132	174.1	-55.9	165.6	0	0	0	108.8	S138 G143 W157 S158 F159 V161 L164 L167 L176 A178 W188	S138-I145 CarbonylContact O-C 3.53Å; S138-I145 WeakPolarHBondContact O-CA 3.18Å; G143-I145 PolarHBondContact O-N 3.18Å; I145-W157 HydrophobicContact CB-CZ3 4.4Å; I145-W157 HydrophobicContact CG2-CZ3 3.98Å; I145-S158 CarbonylContact O-C 3.49Å; I145-S158 WeakPolarHBondContact O-CA 3.41Å; I145-S158 VanDerWaalsContact O-CB 3.23Å; I145-S158 WeakPolarHBondContact O-CB 3.45Å; I145-F159 PolarHBondContact N-O 2.89Å; I145-F159 PolarHBondContact O-N 2.86Å; I145-V161 HydrophobicContact CD1-CG1 4.41Å; I145-V161 HydrophobicContact CD1-CG2 3.81Å; I145-V161 HydrophobicContact CG1-CG2 4.33Å; I145-L164 HydrophobicContact CD1-CD1 4.32Å; I145-L164 HydrophobicContact CG1-CD2 4.14Å; I145-L167 HydrophobicContact CD1-CD1 3.73Å; I145-L167 HydrophobicContact CG1-CD1 4.06Å; I145-L167 HydrophobicContact CG2-CD1 4Å; I145-L167 HydrophobicContact CG2-CD2 4.26Å; I145-L176 HydrophobicContact CG2-CD2 3.7Å; I145-A178 HydrophobicContact CD1-CB 3.87Å; I145-W188 HydrophobicContact CD1-CH2 3.48Å; I145-W188 VanDerWaalsContact CD1-CH2 3.48Å; I145-W188 HydrophobicContact CD1-CZ2 4.41Å; I145-W188 HydrophobicContact CD1-CZ3 3.83Å
146	K	98.8	Very high	98	Very high	16 Å²	16	39.2 Å²	39.2	7%	0.07	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148.2	171.8	-66.9	-175.2	172.6	-72.8	0	110.3	G119 A137 S138 L144 W148 E155	G119-K146 WeakPolarHBondContact O-CE 3.49Å; A137-K146 WeakPolarHBondContact CA-O 3.48Å; S138-K146 PolarHBondContact N-O 2.97Å; S138-K146 PolarHBondContact O-N 2.87Å; L144-K146 HydrophobicContact CG-CG 4.48Å; K146-W148 HydrophobicContact CB-CZ2 4.13Å; K146-W148 HydrophobicContact CD-CH2 4.15Å; K146-W148 HydrophobicContact CD-CZ2 3.48Å; K146-W148 VanDerWaalsContact CD-CZ2 3.48Å; K146-W148 HydrophobicContact CG-CZ2 4.45Å; K146-E155 IonicContact NZ-OE1 2.8Å; K146-E155 PolarHBondContact NZ-OE1 2.8Å; K146-E155 IonicContact NZ-OE2 3.15Å; K146-E155 PolarHBondContact NZ-OE2 3.3Å
147	V	98.8	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.5	167.8	-177.5	0	0	0	0	110.6	L135 V136 A137 I156 W157 W169 L176 I190	L135-V147 HydrophobicContact CB-CG1 3.97Å; L135-V147 HydrophobicContact CD1-CG1 4.14Å; L135-V147 HydrophobicContact CD2-CG1 4.33Å; L135-V147 HydrophobicContact CG-CG1 4.37Å; V136-V147 CarbonylContact O-C 3.51Å; V136-V147 WeakPolarHBondContact O-CA 3.5Å; V136-V147 WeakPolarHBondContact O-CG1 3.4Å; A137-V147 HydrophobicContact CB-CG2 4.14Å; V147-I156 HydrophobicContact CG1-CD1 4.45Å; V147-I156 HydrophobicContact CG1-CG1 4.29Å; V147-I156 WeakPolarHBondContact O-CG1 3.17Å; V147-I156 PolarHBondContact O-N 3.45Å; V147-W157 HydrophobicContact CB-CB 4.39Å; V147-W157 HydrophobicContact CB-CE3 4.46Å; V147-W157 HydrophobicContact CG2-CE3 3.85Å; V147-W157 HydrophobicContact CG2-CZ3 4.36Å; V147-W157 PolarHBondContact N-O 2.86Å; V147-W157 PolarHBondContact O-N 3.32Å; V147-W169 HydrophobicContact CG1-CH2 3.9Å; V147-W169 HydrophobicContact CG1-CZ2 4Å; V147-W169 HydrophobicContact CG2-CH2 4.17Å; V147-W169 HydrophobicContact CG2-CZ2 4.33Å; V147-L176 HydrophobicContact CG2-CD2 3.96Å; V147-I190 HydrophobicContact CB-CG2 4.17Å; V147-I190 HydrophobicContact CG1-CG2 3.94Å; V147-I190 HydrophobicContact CG2-CD1 4.45Å; V147-I190 HydrophobicContact CG2-CG2 4.2Å
148	W	98.7	Very high	97.9	Very high	15 Å²	15	43.1 Å²	43.1	6%	0.057	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.5	-177	-47.5	86.2	0	0	0	109.9	M115 C117 T118 L135 V136 S138 K146 E154 E155	M115-W148 HydrophobicContact CE-CB 4.3Å; M115-W148 HydrophobicContact SD-CB 3.69Å; M115-W148 HydrophobicContact SD-CD2 4.3Å; M115-W148 HydrophobicContact SD-CE3 4.15Å; M115-W148 HydrophobicContact SD-CG 4.13Å; C117-W148 VanDerWaalsContact CA-CZ2 3.49Å; C117-W148 HydrophobicContact CB-CD2 4.06Å; C117-W148 VanDerWaalsContact CB-CE2 3.45Å; C117-W148 HydrophobicContact CB-CH2 4.17Å; C117-W148 HydrophobicContact CB-CZ2 3.51Å; T118-W148 WeakPolarHBondContact O-CH2 3.3Å; L135-W148 CarbonylContact C-O 3.57Å; L135-W148 VanDerWaalsContact CA-O 3.29Å; L135-W148 WeakPolarHBondContact CA-O 3.48Å; V136-W148 HydrophobicContact CB-CB 4.47Å; V136-W148 PolarHBondContact N-O 2.98Å; V136-W148 PolarHBondContact O-N 3.01Å; S138-W148 PolarHBondContact OG-NE1 3.47Å; K146-W148 HydrophobicContact CB-CZ2 4.13Å; K146-W148 HydrophobicContact CD-CH2 4.15Å; K146-W148 HydrophobicContact CD-CZ2 3.48Å; K146-W148 VanDerWaalsContact CD-CZ2 3.48Å; K146-W148 HydrophobicContact CG-CZ2 4.45Å; W148-E154 CarbonylContact C-O 3.56Å; W148-E154 WeakPolarHBondContact CA-O 3.34Å; W148-E155 HydrophobicContact CD2-CB 4.45Å; W148-E155 HydrophobicContact CE3-CB 3.88Å; W148-E155 HydrophobicContact CH2-CB 4.27Å; W148-E155 HydrophobicContact CZ3-CB 3.78Å
149	K	98.4	Very high	97.9	Very high	62 Å²	62	46.4 Å²	46.4	27%	0.27	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.6	172	-171.1	-174.6	175.1	-154.2	0	110.4	L135 E151 T152 K153 E154 I156	L135-K149 HydrophobicContact CD2-CB 4.23Å; L135-K149 HydrophobicContact CD2-CG 4.25Å; K149-E151 VanDerWaalsContact C-N 3.32Å; K149-E151 VanDerWaalsContact CE-OE2 3.26Å; K149-E151 WeakPolarHBondContact CE-OE2 3.36Å; K149-E151 IonicContact NZ-OE2 3.34Å; K149-E151 PolarHBondContact NZ-OE2 2.9Å; K149-E151 PolarHBondContact O-N 2.92Å; K149-T152 HydrophobicContact CD-CG2 4.18Å; K149-T152 PolarHBondContact O-N 2.97Å; K149-K153 WeakPolarHBondContact O-CA 3.04Å; K149-K153 PolarHBondContact O-N 2.87Å; K149-E154 PolarHBondContact N-O 2.71Å; K149-I156 HydrophobicContact CB-CD1 4.38Å; K149-I156 HydrophobicContact CB-CG2 3.78Å
150	V	97.4	Very high	97.8	Very high	25 Å²	25	51.7 Å²	51.7	15%	0.152	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-40.1	-174.4	178.8	0	0	0	0	112.3	L93 F129 S134 V136	L93-V150 HydrophobicContact CD1-CG1 3.8Å; F129-V150 HydrophobicContact CD1-CG2 4.34Å; F129-V150 HydrophobicContact CE1-CG2 4.17Å; S134-V150 PolarHBondContact O-N 2.87Å; V136-V150 HydrophobicContact CG2-CG2 3.87Å
151	E	96.7	Very high	97.6	Very high	153 Å²	153	52.6 Å²	52.6	72%	0.715	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-42.7	-179.4	-174.4	-173.3	-157.9	0	0	113.5	K149	K149-E151 VanDerWaalsContact C-N 3.32Å; K149-E151 VanDerWaalsContact CE-OE2 3.26Å; K149-E151 WeakPolarHBondContact CE-OE2 3.36Å; K149-E151 IonicContact NZ-OE2 3.34Å; K149-E151 PolarHBondContact NZ-OE2 2.9Å; K149-E151 PolarHBondContact O-N 2.92Å
152	T	97.4	Very high	97.4	Very high	59 Å²	59	50 Å²	50	36%	0.362	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-15.5	-173.8	64.6	0	0	0	0	113.9	K149 E154	K149-T152 HydrophobicContact CD-CG2 4.18Å; K149-T152 PolarHBondContact O-N 2.97Å; T152-E154 VanDerWaalsContact C-N 3.31Å; T152-E154 WeakPolarHBondContact CB-OE2 3.22Å; T152-E154 PolarHBondContact OG1-OE2 2.91Å
153	K	97.6	Very high	97.2	Very high	113 Å²	113	52.8 Å²	52.8	49%	0.491	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	34.4	-178.1	-50.3	179.7	178.2	-163.3	0	113.4	V114 M115 K149	V114-K153 VanDerWaalsContact O-CD 3.27Å; V114-K153 WeakPolarHBondContact O-CD 3.03Å; V114-K153 WeakPolarHBondContact O-CE 3.15Å; V114-K153 PolarHBondContact O-NZ 3.02Å; M115-K153 HydrophobicContact CE-CB 4.36Å; M115-K153 HydrophobicContact CE-CG 4.35Å; M115-K153 HydrophobicContact CG-CB 4.09Å; M115-K153 HydrophobicContact SD-CB 4.4Å; K149-K153 WeakPolarHBondContact O-CA 3.04Å; K149-K153 PolarHBondContact O-N 2.87Å
154	E	97.5	Very high	97.2	Very high	114 Å²	114	53.4 Å²	53.4	53%	0.533	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.1	-177.5	-64.9	165.4	137.9	0	0	110.6	W148 K149 T152 I156	W148-E154 CarbonylContact C-O 3.56Å; W148-E154 WeakPolarHBondContact CA-O 3.34Å; K149-E154 PolarHBondContact N-O 2.71Å; T152-E154 VanDerWaalsContact C-N 3.31Å; T152-E154 WeakPolarHBondContact CB-OE2 3.22Å; T152-E154 PolarHBondContact OG1-OE2 2.91Å; E154-I156 PolarHBondContact O-N 2.79Å
155	E	98.2	Very high	97.1	Very high	75 Å²	75	55.2 Å²	55.2	35%	0.35	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	121.8	162.7	-176.5	179	163.8	0	0	108.6	K146 W148 S158	K146-E155 IonicContact NZ-OE1 2.8Å; K146-E155 PolarHBondContact NZ-OE1 2.8Å; K146-E155 IonicContact NZ-OE2 3.15Å; K146-E155 PolarHBondContact NZ-OE2 3.3Å; W148-E155 HydrophobicContact CD2-CB 4.45Å; W148-E155 HydrophobicContact CE3-CB 3.88Å; W148-E155 HydrophobicContact CH2-CB 4.27Å; W148-E155 HydrophobicContact CZ3-CB 3.78Å; E155-S158 WeakPolarHBondContact OE1-CB 3.46Å; E155-S158 PolarHBondContact OE1-OG 3.32Å
156	I	98.3	Very high	97.1	Very high	60 Å²	60	56.2 Å²	56.2	31%	0.308	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-14.8	-179.7	63.8	166.5	0	0	0	113.2	L135 V147 K149 E154 P191	L135-I156 HydrophobicContact CD2-CD1 3.48Å; L135-I156 VanDerWaalsContact CD2-CD1 3.48Å; V147-I156 HydrophobicContact CG1-CD1 4.45Å; V147-I156 HydrophobicContact CG1-CG1 4.29Å; V147-I156 WeakPolarHBondContact O-CG1 3.17Å; V147-I156 PolarHBondContact O-N 3.45Å; K149-I156 HydrophobicContact CB-CD1 4.38Å; K149-I156 HydrophobicContact CB-CG2 3.78Å; E154-I156 PolarHBondContact O-N 2.79Å; I156-P191 HydrophobicContact CD1-CB 4.06Å; I156-P191 HydrophobicContact CD1-CG 4.43Å; I156-P191 HydrophobicContact CG1-CB 4.4Å
157	W	98.6	Very high	97.1	Very high	27 Å²	27	55.9 Å²	55.9	10%	0.102	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	146.5	-177.1	-175.8	90.1	0	0	0	110.3	I145 V147 F159 L176 W188 I190 P191	I145-W157 HydrophobicContact CB-CZ3 4.4Å; I145-W157 HydrophobicContact CG2-CZ3 3.98Å; V147-W157 HydrophobicContact CB-CB 4.39Å; V147-W157 HydrophobicContact CB-CE3 4.46Å; V147-W157 HydrophobicContact CG2-CE3 3.85Å; V147-W157 HydrophobicContact CG2-CZ3 4.36Å; V147-W157 PolarHBondContact N-O 2.86Å; V147-W157 PolarHBondContact O-N 3.32Å; W157-F159 HydrophobicContact CH2-CB 3.29Å; W157-F159 HydrophobicContact CH2-CG 4.14Å; W157-F159 HydrophobicContact CZ2-CB 3.57Å; W157-F159 HydrophobicContact CZ2-CD2 4.28Å; W157-F159 HydrophobicContact CZ2-CG 4.19Å; W157-F159 HydrophobicContact CZ3-CB 3.84Å; W157-L176 HydrophobicContact CZ3-CD2 4.38Å; W157-W188 HydrophobicContact CH2-CB 4.21Å; W157-W188 AromaticContact CH2-CD2 3.64Å; W157-W188 HydrophobicContact CH2-CD2 3.64Å; W157-W188 AromaticContact CH2-CE2 3.89Å; W157-W188 HydrophobicContact CH2-CE3 4.06Å; W157-W188 AromaticContact CH2-CG 3.73Å; W157-W188 HydrophobicContact CH2-CG 3.73Å; W157-W188 HydrophobicContact CH2-CZ2 4.47Å; W157-W188 HydrophobicContact CZ2-CB 3.91Å; W157-W188 AromaticContact CZ2-CD1 3.58Å; W157-W188 AromaticContact CZ2-CD2 4Å; W157-W188 HydrophobicContact CZ2-CD2 4Å; W157-W188 AromaticContact CZ2-CG 3.57Å; W157-W188 HydrophobicContact CZ2-CG 3.57Å; W157-W188 AromaticContact CZ2-NE1 3.95Å; W157-I190 HydrophobicContact CB-CG2 4.36Å; W157-I190 HydrophobicContact CD2-CD1 3.64Å; W157-I190 HydrophobicContact CE3-CD1 3.74Å; W157-I190 HydrophobicContact CG-CD1 4.22Å; W157-I190 HydrophobicContact CH2-CD1 3.95Å; W157-I190 HydrophobicContact CZ2-CD1 3.89Å; W157-I190 HydrophobicContact CZ3-CD1 3.89Å; W157-P191 HydrophobicContact CB-CB 4.34Å
158	S	98.1	Very high	97	Very high	54 Å²	54	57.5 Å²	57.5	38%	0.378	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	156.3	168.4	43.5	0	0	0	0	111.8	I145 E155	I145-S158 CarbonylContact O-C 3.49Å; I145-S158 WeakPolarHBondContact O-CA 3.41Å; I145-S158 VanDerWaalsContact O-CB 3.23Å; I145-S158 WeakPolarHBondContact O-CB 3.45Å; E155-S158 WeakPolarHBondContact OE1-CB 3.46Å; E155-S158 PolarHBondContact OE1-OG 3.32Å
159	F	98	Very high	97	Very high	69 Å²	69	57.6 Å²	57.6	30%	0.303	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	149.5	-178.1	-167.6	-83.4	0	0	0	109.9	I145 W157 V161 W186 W188	I145-F159 PolarHBondContact N-O 2.89Å; I145-F159 PolarHBondContact O-N 2.86Å; W157-F159 HydrophobicContact CH2-CB 3.29Å; W157-F159 HydrophobicContact CH2-CG 4.14Å; W157-F159 HydrophobicContact CZ2-CB 3.57Å; W157-F159 HydrophobicContact CZ2-CD2 4.28Å; W157-F159 HydrophobicContact CZ2-CG 4.19Å; W157-F159 HydrophobicContact CZ3-CB 3.84Å; F159-V161 HydrophobicContact CD1-CG1 3.76Å; F159-V161 HydrophobicContact CE1-CG1 3.72Å; F159-W186 HydrophobicContact CE1-CE3 4.33Å; F159-W186 HydrophobicContact CE1-CZ3 4.23Å; F159-W186 HydrophobicContact CZ-CE3 4.43Å; F159-W186 HydrophobicContact CZ-CZ3 4.06Å; F159-W188 AromaticContact CD1-CE2 4Å; F159-W188 AromaticContact CD1-CZ2 3.58Å; F159-W188 HydrophobicContact CD1-CZ2 3.58Å; F159-W188 AromaticContact CD1-NE1 3.94Å; F159-W188 AromaticContact CD2-NE1 3.78Å; F159-W188 AromaticContact CE1-CZ2 3.87Å; F159-W188 HydrophobicContact CE1-CZ2 3.87Å; F159-W188 AromaticContact CE2-NE1 3.85Å; F159-W188 HydrophobicContact CG-CZ2 4.15Å; F159-W188 AromaticContact CG-NE1 3.83Å; F159-W188 AromaticContact CZ-NE1 3.97Å
160	E	96.9	Very high	97	Very high	111 Å²	111	55.5 Å²	55.5	52%	0.519	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	115.5	-179.5	-175.7	171.1	170.8	0	0	109.1	K121 G143	K121-E160 IonicContact NZ-OE1 2.98Å; K121-E160 PolarHBondContact NZ-OE1 3.3Å; K121-E160 IonicContact NZ-OE2 3.17Å; K121-E160 PolarHBondContact NZ-OE2 3.48Å; G143-E160 WeakPolarHBondContact O-CA 3.42Å
161	V	94.6	Very high	96.9	Very high	19 Å²	19	57.1 Å²	57.1	12%	0.115	29%	0.291	C	S	.	.			trans	-98.5	-14.9	-178.6	-81.6	0	0	0	0	114.1	G143 I145 F159 L164 T180 W186 W188	G143-V161 VanDerWaalsContact O-CG2 3.28Å; G143-V161 WeakPolarHBondContact O-CG2 3.49Å; G143-V161 PolarHBondContact O-N 3.19Å; I145-V161 HydrophobicContact CD1-CG1 4.41Å; I145-V161 HydrophobicContact CD1-CG2 3.81Å; I145-V161 HydrophobicContact CG1-CG2 4.33Å; F159-V161 HydrophobicContact CD1-CG1 3.76Å; F159-V161 HydrophobicContact CE1-CG1 3.72Å; V161-L164 HydrophobicContact CG2-CD1 4.33Å; V161-T180 HydrophobicContact CB-CG2 3.76Å; V161-T180 HydrophobicContact CG2-CG2 3.87Å; V161-W186 HydrophobicContact CG1-CB 4.4Å; V161-W186 HydrophobicContact CG1-CD2 3.81Å; V161-W186 HydrophobicContact CG1-CE3 4.49Å; V161-W186 HydrophobicContact CG1-CG 3.74Å; V161-W188 HydrophobicContact CG1-CH2 3.57Å; V161-W188 HydrophobicContact CG1-CZ2 3.44Å; V161-W188 VanDerWaalsContact CG1-CZ2 3.44Å
162	G	90.8	Very high	96.8	Very high	29 Å²	29	53.9 Å²	53.9	30%	0.299	28%	0.284	S	S	.	.	S	Bend	trans	77.6	173.4	-158.2	0	0	0	0	0	111.3	G143 L164	G143-G162 WeakPolarHBondContact CA-O 3.26Å; G162-L164 PolarHBondContact O-N 2.83Å; G162-L164 VanDerWaalsContact O-N 3.15Å
163	D	92.7	Very high	96.8	Very high	89 Å²	89	52.2 Å²	52.2	48%	0.476	28%	0.276	S	S	.	.	S	Bend	trans	-19.9	104.4	-177.4	-50.5	11.6	0	0	0	114.4	T180 N181	D163-T180 VanDerWaalsContact O-CA 3.26Å; D163-T180 WeakPolarHBondContact O-CA 3.48Å; D163-T180 WeakPolarHBondContact O-CB 3.47Å; D163-T180 WeakPolarHBondContact O-CG2 3.28Å; D163-N181 HydrophobicContact CB-CB 3.43Å; D163-N181 VanDerWaalsContact CB-CB 3.43Å; D163-N181 PolarHBondContact O-N 3.2Å; D163-N181 PolarHBondContact OD2-ND2 3.27Å
164	L	96.9	Very high	96.7	Very high	13 Å²	13	49.6 Å²	49.6	7%	0.068	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.2	-171.7	174.2	70.8	0	0	0	111.6	I145 V161 G162 W166 A178	I145-L164 HydrophobicContact CD1-CD1 4.32Å; I145-L164 HydrophobicContact CG1-CD2 4.14Å; V161-L164 HydrophobicContact CG2-CD1 4.33Å; G162-L164 PolarHBondContact O-N 2.83Å; G162-L164 VanDerWaalsContact O-N 3.15Å; L164-W166 WeakPolarHBondContact CD1-O 3.35Å; L164-A178 HydrophobicContact CD1-CB 3.71Å
165	E	96.7	Very high	96.7	Very high	56 Å²	56	45.3 Å²	45.3	26%	0.262	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-44.5	-179.5	-56.2	-59.5	148.3	0	0	112.2	G179 N181 Q204	E165-G179 PolarHBondContact N-O 3.24Å; E165-N181 WeakPolarHBondContact OE1-CA 3.17Å; E165-N181 WeakPolarHBondContact OE1-CB 3.34Å; E165-Q204 HydrophobicContact CG-CG 3.87Å; E165-Q204 WeakPolarHBondContact OE1-CG 3.3Å; E165-Q204 PolarHBondContact OE1-NE2 2.9Å; E165-Q204 PolarHBondContact OE2-NE2 2.98Å
166	W	97.4	Very high	96.8	Very high	22 Å²	22	41.7 Å²	41.7	8%	0.083	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	156.7	-179.5	56.8	-89.7	0	0	0	111.3	L164 E168 L177 A178 G179 V185 A205 S207 G208 V219	L164-W166 WeakPolarHBondContact CD1-O 3.35Å; W166-E168 HydrophobicContact CE3-CB 4.26Å; W166-E168 HydrophobicContact CZ3-CB 4.24Å; W166-L177 HydrophobicContact CH2-CB 4.34Å; W166-L177 HydrophobicContact CZ3-CB 3.96Å; W166-A178 VanDerWaalsContact O-CA 3.24Å; W166-A178 WeakPolarHBondContact O-CA 3.39Å; W166-G179 VanDerWaalsContact CE2-CA 3.49Å; W166-G179 PolarHBondContact O-N 3.13Å; W166-V185 HydrophobicContact CH2-CG1 3.81Å; W166-V185 HydrophobicContact CH2-CG2 4.33Å; W166-V185 HydrophobicContact CZ2-CG1 4.1Å; W166-V185 HydrophobicContact CZ2-CG2 3.76Å; W166-A205 PolarHBondContact NE1-O 2.75Å; W166-S207 VanDerWaalsContact CD1-CA 3.43Å; W166-G208 VanDerWaalsContact CE2-CA 3.42Å; W166-V219 HydrophobicContact CZ2-CG1 4.27Å; W166-V219 HydrophobicContact CZ2-CG2 4.2Å
167	L	98.4	Very high	96.8	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143	178.6	-164.1	68	0	0	0	108.8	C126 M128 A137 I145 L176 L177 A178	C126-L167 HydrophobicContact CB-CB 3.71Å; C126-L167 HydrophobicContact CB-CD2 4.02Å; M128-L167 WeakPolarHBondContact CE-O 3.28Å; A137-L167 HydrophobicContact CB-CD2 3.9Å; I145-L167 HydrophobicContact CD1-CD1 3.73Å; I145-L167 HydrophobicContact CG1-CD1 4.06Å; I145-L167 HydrophobicContact CG2-CD1 4Å; I145-L167 HydrophobicContact CG2-CD2 4.26Å; L167-L176 HydrophobicContact CD1-CD1 4.22Å; L167-L176 HydrophobicContact CD1-CD2 3.99Å; L167-L176 HydrophobicContact CD1-CG 3.97Å; L167-L176 HydrophobicContact CG-CD1 4.07Å; L167-L176 HydrophobicContact CG-CG 4.38Å; L167-L177 CarbonylContact C-O 3.55Å; L167-L177 WeakPolarHBondContact CA-O 3.37Å; L167-A178 HydrophobicContact CD1-CB 3.92Å
168	E	97.9	Very high	96.7	Very high	35 Å²	35	37.6 Å²	37.6	16%	0.164	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	135.2	177.9	-163.1	-173.8	-163.5	0	0	113	W166 L177 K209 V210	W166-E168 HydrophobicContact CE3-CB 4.26Å; W166-E168 HydrophobicContact CZ3-CB 4.24Å; E168-L177 PolarHBondContact N-O 2.8Å; E168-L177 PolarHBondContact O-N 3.4Å; E168-K209 WeakPolarHBondContact OE1-CG 3.09Å; E168-K209 VanDerWaalsContact OE2-C 3.27Å; E168-K209 WeakPolarHBondContact OE2-CA 3.45Å; E168-V210 VanDerWaalsContact CD-N 3.31Å; E168-V210 PolarHBondContact OE1-N 3.21Å; E168-V210 WeakPolarHBondContact OE2-CG2 3.38Å; E168-V210 PolarHBondContact OE2-N 2.95Å
169	W	98.4	Very high	96.7	Very high	16 Å²	16	35 Å²	35	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	136.3	168.7	-76.2	110.2	0	0	0	112.3	M128 L135 A137 V147 L176 I190	M128-W169 PolarHBondContact O-NE1 2.81Å; M128-W169 HydrophobicContact SD-CG 4.38Å; L135-W169 HydrophobicContact CB-CH2 3.95Å; L135-W169 HydrophobicContact CB-CZ2 3.81Å; L135-W169 HydrophobicContact CD1-CH2 3.62Å; L135-W169 HydrophobicContact CD1-CZ2 4.35Å; L135-W169 HydrophobicContact CD1-CZ3 4.2Å; L135-W169 HydrophobicContact CG-CH2 4.44Å; A137-W169 HydrophobicContact CB-CZ2 3.65Å; V147-W169 HydrophobicContact CG1-CH2 3.9Å; V147-W169 HydrophobicContact CG1-CZ2 4Å; V147-W169 HydrophobicContact CG2-CH2 4.17Å; V147-W169 HydrophobicContact CG2-CZ2 4.33Å; W169-L176 HydrophobicContact CD2-CD1 3.65Å; W169-L176 HydrophobicContact CE3-CB 4.24Å; W169-L176 HydrophobicContact CE3-CD1 3.87Å; W169-L176 HydrophobicContact CG-CD1 4.06Å; W169-L176 HydrophobicContact CH2-CD1 4.41Å; W169-L176 HydrophobicContact CZ2-CD1 4.24Å; W169-L176 HydrophobicContact CZ3-CB 4.14Å; W169-L176 HydrophobicContact CZ3-CD1 4.24Å; W169-I190 HydrophobicContact CH2-CB 4.39Å; W169-I190 HydrophobicContact CH2-CG1 4.16Å; W169-I190 HydrophobicContact CH2-CG2 4.39Å; W169-I190 HydrophobicContact CZ3-CB 4.34Å; W169-I190 HydrophobicContact CZ3-CG1 3.99Å
170	H	98.1	Very high	96.6	Very high	18 Å²	18	31.8 Å²	31.8	8%	0.083	18%	0.184	C	C	.	.			trans	-62.4	130.7	169.1	-176.7	-90.6	0	0	0	111.1	C172 A173 V175 G214	H170-C172 PolarHBondContact CE1-SG 3.41Å; H170-C172 PolarHBondContact O-N 2.94Å; H170-A173 WeakPolarHBondContact ND1-CB 3.33Å; H170-A173 PolarHBondContact ND1-N 2.93Å; H170-A173 PolarHBondContact O-N 2.94Å; H170-V175 HydrophobicContact CB-CB 3.75Å; H170-V175 HydrophobicContact CB-CG1 4.19Å; H170-V175 WeakPolarHBondContact CB-O 3.46Å; H170-V175 PolarHBondContact N-O 3.43Å; H170-G214 WeakPolarHBondContact NE2-CA 3.44Å; H170-G214 PolarHBondContact NE2-O 2.76Å; H170-G214 VanDerWaalsContact NE2-O 3.14Å
171	P	95.6	Very high	96.5	Very high	60 Å²	60	29.7 Å²	29.7	39%	0.39	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-2	-164.1	27.4	-36.7	0	0	0	115.6	H131 V210	H131-P171 WeakPolarHBondContact CB-O 3.29Å; P171-V210 VanDerWaalsContact CD-CG1 3.43Å; P171-V210 HydrophobicContact CG-CG1 4.08Å
172	C	94.9	Very high	96.4	Very high	85 Å²	85	32.2 Å²	32.2	57%	0.574	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-152.5	23.3	177.6	62.1	0	0	0	0	114.4	H170	H170-C172 PolarHBondContact CE1-SG 3.41Å; H170-C172 PolarHBondContact O-N 2.94Å
173	A	96.1	Very high	96.5	Very high	23 Å²	23	30.9 Å²	30.9	19%	0.19	18%	0.175	C	C	.	.	S	Bend	trans	-152.6	156.5	174.8	0	0	0	0	0	112	H131 H170 V175	H131-A173 VanDerWaalsContact CE1-CA 3.43Å; H131-A173 WeakPolarHBondContact CE1-CA 3.37Å; H131-A173 PolarHBondContact CE1-N 2.81Å; H131-A173 PolarHBondContact CE1-O 3.14Å; H131-A173 PolarHBondContact ND1-N 3.01Å; H131-A173 PolarHBondContact ND1-O 2.85Å; H170-A173 WeakPolarHBondContact ND1-CB 3.33Å; H170-A173 PolarHBondContact ND1-N 2.93Å; H170-A173 PolarHBondContact O-N 2.94Å; A173-V175 HydrophobicContact CB-CB 4.36Å; A173-V175 HydrophobicContact CB-CG2 3.99Å; A173-V175 PolarHBondContact O-N 3.25Å
174	P	96.9	Very high	96.5	Very high	58 Å²	58	28 Å²	28	38%	0.377	16%	0.159	S	C	.	.	S	Bend	trans	-74.8	65	166.9	33.3	-35.7	0	0	0	109.8	L135 I190	L135-P174 HydrophobicContact CD1-CB 4.19Å; P174-I190 PolarHBondContact O-N 3.17Å
175	V	98.1	Very high	96.5	Very high	24 Å²	24	27.5 Å²	27.5	15%	0.145	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.7	176.2	171.4	0	0	0	0	106.8	H170 A173 L177 M187 W188 K189	H170-V175 HydrophobicContact CB-CB 3.75Å; H170-V175 HydrophobicContact CB-CG1 4.19Å; H170-V175 WeakPolarHBondContact CB-O 3.46Å; H170-V175 PolarHBondContact N-O 3.43Å; A173-V175 HydrophobicContact CB-CB 4.36Å; A173-V175 HydrophobicContact CB-CG2 3.99Å; A173-V175 PolarHBondContact O-N 3.25Å; V175-L177 HydrophobicContact CG1-CD1 4.12Å; V175-M187 HydrophobicContact CG1-CG 3.5Å; V175-M187 VanDerWaalsContact CG1-CG 3.5Å; V175-M187 HydrophobicContact CG1-SD 3.92Å; V175-W188 VanDerWaalsContact CA-O 3.24Å; V175-W188 WeakPolarHBondContact CA-O 3.34Å; V175-K189 HydrophobicContact CG2-CG 4.31Å
176	L	98.3	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	139.8	-177.4	-167.4	67.7	0	0	0	108.4	A137 I145 V147 W157 L167 W169 M187 W188 I190	A137-L176 HydrophobicContact CB-CD1 3.79Å; A137-L176 HydrophobicContact CB-CD2 4.02Å; I145-L176 HydrophobicContact CG2-CD2 3.7Å; V147-L176 HydrophobicContact CG2-CD2 3.96Å; W157-L176 HydrophobicContact CZ3-CD2 4.38Å; L167-L176 HydrophobicContact CD1-CD1 4.22Å; L167-L176 HydrophobicContact CD1-CD2 3.99Å; L167-L176 HydrophobicContact CD1-CG 3.97Å; L167-L176 HydrophobicContact CG-CD1 4.07Å; L167-L176 HydrophobicContact CG-CG 4.38Å; W169-L176 HydrophobicContact CD2-CD1 3.65Å; W169-L176 HydrophobicContact CE3-CB 4.24Å; W169-L176 HydrophobicContact CE3-CD1 3.87Å; W169-L176 HydrophobicContact CG-CD1 4.06Å; W169-L176 HydrophobicContact CH2-CD1 4.41Å; W169-L176 HydrophobicContact CZ2-CD1 4.24Å; W169-L176 HydrophobicContact CZ3-CB 4.14Å; W169-L176 HydrophobicContact CZ3-CD1 4.24Å; L176-M187 CarbonylContact O-C 3.54Å; L176-M187 VanDerWaalsContact O-CA 3.28Å; L176-M187 WeakPolarHBondContact O-CA 3.48Å; L176-W188 HydrophobicContact CB-CE3 4.34Å; L176-W188 PolarHBondContact N-O 3.35Å; L176-W188 PolarHBondContact O-N 2.81Å; L176-I190 HydrophobicContact CB-CD1 4.25Å; L176-I190 HydrophobicContact CB-CG1 3.98Å
177	L	98.5	Very high	96.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	150.9	173.4	-71.6	80.9	0	0	0	110	W166 L167 E168 V175 W186 M187 V210 A217 L231	W166-L177 HydrophobicContact CH2-CB 4.34Å; W166-L177 HydrophobicContact CZ3-CB 3.96Å; L167-L177 CarbonylContact C-O 3.55Å; L167-L177 WeakPolarHBondContact CA-O 3.37Å; E168-L177 PolarHBondContact N-O 2.8Å; E168-L177 PolarHBondContact O-N 3.4Å; V175-L177 HydrophobicContact CG1-CD1 4.12Å; L177-W186 VanDerWaalsContact CA-O 3.23Å; L177-W186 WeakPolarHBondContact CA-O 3.4Å; L177-M187 HydrophobicContact CD1-CG 4.04Å; L177-M187 HydrophobicContact CD1-SD 4.49Å; L177-M187 HydrophobicContact CG-CB 4.07Å; L177-M187 HydrophobicContact CG-CG 3.96Å; L177-V210 HydrophobicContact CD1-CG2 3.78Å; L177-V210 HydrophobicContact CD2-CG2 3.75Å; L177-V210 HydrophobicContact CG-CG2 4.32Å; L177-A217 HydrophobicContact CD2-CB 4.18Å; L177-L231 HydrophobicContact CD2-CD2 3.87Å
178	A	98.2	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.3	174.4	0	0	0	0	0	111.2	I145 L164 W166 L167 V185 W186 W188	I145-A178 HydrophobicContact CD1-CB 3.87Å; L164-A178 HydrophobicContact CD1-CB 3.71Å; W166-A178 VanDerWaalsContact O-CA 3.24Å; W166-A178 WeakPolarHBondContact O-CA 3.39Å; L167-A178 HydrophobicContact CD1-CB 3.92Å; A178-V185 CarbonylContact O-C 3.57Å; A178-V185 VanDerWaalsContact O-CA 3.28Å; A178-V185 WeakPolarHBondContact O-CA 3.46Å; A178-V185 WeakPolarHBondContact O-CG1 3.43Å; A178-W186 PolarHBondContact N-O 2.7Å; A178-W186 VanDerWaalsContact N-O 3.09Å; A178-W186 PolarHBondContact O-N 2.87Å; A178-W188 HydrophobicContact CB-CH2 3.78Å; A178-W188 HydrophobicContact CB-CZ3 3.75Å
179	G	97.3	Very high	96.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.3	167.5	0	0	0	0	0	111.9	E165 W166	E165-G179 PolarHBondContact N-O 3.24Å; W166-G179 VanDerWaalsContact CE2-CA 3.49Å; W166-G179 PolarHBondContact O-N 3.13Å
180	T	96.1	Very high	96.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	159.7	-173.4	41.2	0	0	0	0	113.7	V161 D163 D182 G183 N184 A205	V161-T180 HydrophobicContact CB-CG2 3.76Å; V161-T180 HydrophobicContact CG2-CG2 3.87Å; D163-T180 VanDerWaalsContact O-CA 3.26Å; D163-T180 WeakPolarHBondContact O-CA 3.48Å; D163-T180 WeakPolarHBondContact O-CB 3.47Å; D163-T180 WeakPolarHBondContact O-CG2 3.28Å; T180-D182 WeakPolarHBondContact CB-OD1 3.22Å; T180-D182 PolarHBondContact O-N 2.58Å; T180-D182 PolarHBondContact OG1-OD1 2.6Å; T180-G183 PolarHBondContact O-N 3.11Å; T180-N184 PolarHBondContact N-O 3.24Å; T180-N184 VanDerWaalsContact N-O 3.13Å; T180-N184 PolarHBondContact OG1-O 2.98Å; T180-N184 VanDerWaalsContact OG1-O 3.13Å; T180-A205 PolarHBondContact O-N 3.31Å; T180-A205 VanDerWaalsContact O-N 3.13Å
181	N	94.9	Very high	96.5	Very high	66 Å²	66	33.2 Å²	33.2	35%	0.353	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.8	177.4	-168.6	7.3	0	0	0	113.4	D163 E165 G183 Q204	D163-N181 HydrophobicContact CB-CB 3.43Å; D163-N181 VanDerWaalsContact CB-CB 3.43Å; D163-N181 PolarHBondContact O-N 3.2Å; D163-N181 PolarHBondContact OD2-ND2 3.27Å; E165-N181 WeakPolarHBondContact OE1-CA 3.17Å; E165-N181 WeakPolarHBondContact OE1-CB 3.34Å; N181-G183 PolarHBondContact O-N 2.97Å; N181-G183 VanDerWaalsContact O-N 3.14Å; N181-Q204 VanDerWaalsContact O-CA 3.3Å; N181-Q204 WeakPolarHBondContact O-CA 3.37Å; N181-Q204 PolarHBondContact O-N 3.25Å
182	D	92.3	Very high	96.5	Very high	73 Å²	73	33.9 Å²	33.9	39%	0.39	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-1.9	174.7	76.3	-12.8	0	0	0	114.3	T180 N184 A202	T180-D182 WeakPolarHBondContact CB-OD1 3.22Å; T180-D182 PolarHBondContact O-N 2.58Å; T180-D182 PolarHBondContact OG1-OD1 2.6Å; D182-N184 VanDerWaalsContact C-N 3.32Å; D182-N184 VanDerWaalsContact CG-ND2 3.31Å; D182-N184 VanDerWaalsContact OD1-CB 3.3Å; D182-N184 WeakPolarHBondContact OD1-CB 3.47Å; D182-N184 PolarHBondContact OD1-N 2.87Å; D182-N184 PolarHBondContact OD1-ND2 2.65Å; D182-N184 PolarHBondContact OD2-ND2 2.71Å; D182-A202 WeakPolarHBondContact O-CA 3.26Å
183	G	92.4	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	83.8	-1.9	-180	0	0	0	0	0	115.1	T180 N181 S200 C203	T180-G183 PolarHBondContact O-N 3.11Å; N181-G183 PolarHBondContact O-N 2.97Å; N181-G183 VanDerWaalsContact O-N 3.14Å; G183-S200 WeakPolarHBondContact O-CB 3.33Å; G183-C203 WeakPolarHBondContact CA-O 3.29Å
184	N	93.8	Very high	96.3	Very high	29 Å²	29	34.6 Å²	34.6	16%	0.155	20%	0.202	C	C	.	.			trans	-71.2	156.4	173	-73.8	-51.9	0	0	0	111.6	T180 D182 T197 E199	T180-N184 PolarHBondContact N-O 3.24Å; T180-N184 VanDerWaalsContact N-O 3.13Å; T180-N184 PolarHBondContact OG1-O 2.98Å; T180-N184 VanDerWaalsContact OG1-O 3.13Å; D182-N184 VanDerWaalsContact C-N 3.32Å; D182-N184 VanDerWaalsContact CG-ND2 3.31Å; D182-N184 VanDerWaalsContact OD1-CB 3.3Å; D182-N184 WeakPolarHBondContact OD1-CB 3.47Å; D182-N184 PolarHBondContact OD1-N 2.87Å; D182-N184 PolarHBondContact OD1-ND2 2.65Å; D182-N184 PolarHBondContact OD2-ND2 2.71Å; N184-T197 HydrophobicContact CB-CG2 3.92Å; N184-E199 WeakPolarHBondContact OD1-CA 3.11Å
185	V	96.9	Very high	96.2	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.2	163.5	170.9	0	0	0	0	108.6	W166 A178 T197 F198 A205 V219	W166-V185 HydrophobicContact CH2-CG1 3.81Å; W166-V185 HydrophobicContact CH2-CG2 4.33Å; W166-V185 HydrophobicContact CZ2-CG1 4.1Å; W166-V185 HydrophobicContact CZ2-CG2 3.76Å; A178-V185 CarbonylContact O-C 3.57Å; A178-V185 VanDerWaalsContact O-CA 3.28Å; A178-V185 WeakPolarHBondContact O-CA 3.46Å; A178-V185 WeakPolarHBondContact O-CG1 3.43Å; V185-T197 CarbonylContact O-C 3.6Å; V185-T197 WeakPolarHBondContact O-CA 3.42Å; V185-F198 HydrophobicContact CB-CB 4.26Å; V185-F198 HydrophobicContact CG1-CD2 4.29Å; V185-F198 PolarHBondContact N-O 2.79Å; V185-F198 WeakPolarHBondContact O-CD2 3.43Å; V185-F198 PolarHBondContact O-N 2.88Å; V185-A205 HydrophobicContact CG2-CB 4.23Å; V185-V219 HydrophobicContact CG2-CB 4.47Å; V185-V219 HydrophobicContact CG2-CG1 3.83Å; V185-V219 HydrophobicContact CG2-CG2 3.83Å
186	W	97.4	Very high	96.1	Very high	46 Å²	46	36.3 Å²	36.3	17%	0.174	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	152.3	-176.5	-61.2	83.3	0	0	0	110.2	F159 V161 L177 A178 W188 K196 T197	F159-W186 HydrophobicContact CE1-CE3 4.33Å; F159-W186 HydrophobicContact CE1-CZ3 4.23Å; F159-W186 HydrophobicContact CZ-CE3 4.43Å; F159-W186 HydrophobicContact CZ-CZ3 4.06Å; V161-W186 HydrophobicContact CG1-CB 4.4Å; V161-W186 HydrophobicContact CG1-CD2 3.81Å; V161-W186 HydrophobicContact CG1-CE3 4.49Å; V161-W186 HydrophobicContact CG1-CG 3.74Å; L177-W186 VanDerWaalsContact CA-O 3.23Å; L177-W186 WeakPolarHBondContact CA-O 3.4Å; A178-W186 PolarHBondContact N-O 2.7Å; A178-W186 VanDerWaalsContact N-O 3.09Å; A178-W186 PolarHBondContact O-N 2.87Å; W186-W188 HydrophobicContact CB-CE3 4.44Å; W186-W188 HydrophobicContact CB-CH2 3.32Å; W186-W188 HydrophobicContact CB-CZ2 3.44Å; W186-W188 VanDerWaalsContact CB-CZ2 3.44Å; W186-W188 HydrophobicContact CB-CZ3 3.85Å; W186-W188 HydrophobicContact CD2-CZ2 4.18Å; W186-W188 HydrophobicContact CE3-CZ2 4.17Å; W186-W188 HydrophobicContact CG-CH2 4.02Å; W186-W188 AromaticContact CG-CZ2 3.92Å; W186-W188 HydrophobicContact CG-CZ2 3.92Å; W186-K196 CarbonylContact C-O 3.5Å; W186-T197 HydrophobicContact CD2-CG2 4.19Å; W186-T197 HydrophobicContact CE3-CG2 4.38Å; W186-T197 HydrophobicContact CZ2-CG2 4.4Å; W186-T197 WeakPolarHBondContact CZ3-OG1 2.97Å
187	M	98.3	Very high	96	Very high	28 Å²	28	38.6 Å²	38.6	14%	0.138	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	125.1	174.2	-178.7	-175.4	65.5	0	0	110.6	V175 L176 L177 C195 K196 F198 L231	V175-M187 HydrophobicContact CG1-CG 3.5Å; V175-M187 VanDerWaalsContact CG1-CG 3.5Å; V175-M187 HydrophobicContact CG1-SD 3.92Å; L176-M187 CarbonylContact O-C 3.54Å; L176-M187 VanDerWaalsContact O-CA 3.28Å; L176-M187 WeakPolarHBondContact O-CA 3.48Å; L177-M187 HydrophobicContact CD1-CG 4.04Å; L177-M187 HydrophobicContact CD1-SD 4.49Å; L177-M187 HydrophobicContact CG-CB 4.07Å; L177-M187 HydrophobicContact CG-CG 3.96Å; M187-C195 CarbonylContact O-C 3.58Å; M187-C195 WeakPolarHBondContact O-CA 3.42Å; M187-K196 HydrophobicContact CE-CB 4.14Å; M187-K196 HydrophobicContact CE-CD 4.11Å; M187-K196 PolarHBondContact N-O 3.02Å; M187-K196 PolarHBondContact O-N 3.29Å; M187-F198 HydrophobicContact CB-CE2 3.76Å; M187-F198 HydrophobicContact CE-CE2 4.16Å; M187-F198 HydrophobicContact CE-CZ 3.97Å; M187-F198 HydrophobicContact SD-CE2 4.35Å; M187-F198 HydrophobicContact SD-CZ 4.29Å; M187-L231 HydrophobicContact SD-CB 4.27Å; M187-L231 HydrophobicContact SD-CD2 4.22Å
188	W	98.3	Very high	95.8	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.4	-179.6	-50.5	-95.1	0	0	0	112	I145 W157 F159 V161 V175 L176 A178 W186 I190 D194 C195	I145-W188 HydrophobicContact CD1-CH2 3.48Å; I145-W188 VanDerWaalsContact CD1-CH2 3.48Å; I145-W188 HydrophobicContact CD1-CZ2 4.41Å; I145-W188 HydrophobicContact CD1-CZ3 3.83Å; W157-W188 HydrophobicContact CH2-CB 4.21Å; W157-W188 AromaticContact CH2-CD2 3.64Å; W157-W188 HydrophobicContact CH2-CD2 3.64Å; W157-W188 AromaticContact CH2-CE2 3.89Å; W157-W188 HydrophobicContact CH2-CE3 4.06Å; W157-W188 AromaticContact CH2-CG 3.73Å; W157-W188 HydrophobicContact CH2-CG 3.73Å; W157-W188 HydrophobicContact CH2-CZ2 4.47Å; W157-W188 HydrophobicContact CZ2-CB 3.91Å; W157-W188 AromaticContact CZ2-CD1 3.58Å; W157-W188 AromaticContact CZ2-CD2 4Å; W157-W188 HydrophobicContact CZ2-CD2 4Å; W157-W188 AromaticContact CZ2-CG 3.57Å; W157-W188 HydrophobicContact CZ2-CG 3.57Å; W157-W188 AromaticContact CZ2-NE1 3.95Å; F159-W188 AromaticContact CD1-CE2 4Å; F159-W188 AromaticContact CD1-CZ2 3.58Å; F159-W188 HydrophobicContact CD1-CZ2 3.58Å; F159-W188 AromaticContact CD1-NE1 3.94Å; F159-W188 AromaticContact CD2-NE1 3.78Å; F159-W188 AromaticContact CE1-CZ2 3.87Å; F159-W188 HydrophobicContact CE1-CZ2 3.87Å; F159-W188 AromaticContact CE2-NE1 3.85Å; F159-W188 HydrophobicContact CG-CZ2 4.15Å; F159-W188 AromaticContact CG-NE1 3.83Å; F159-W188 AromaticContact CZ-NE1 3.97Å; V161-W188 HydrophobicContact CG1-CH2 3.57Å; V161-W188 HydrophobicContact CG1-CZ2 3.44Å; V161-W188 VanDerWaalsContact CG1-CZ2 3.44Å; V175-W188 VanDerWaalsContact CA-O 3.24Å; V175-W188 WeakPolarHBondContact CA-O 3.34Å; L176-W188 HydrophobicContact CB-CE3 4.34Å; L176-W188 PolarHBondContact N-O 3.35Å; L176-W188 PolarHBondContact O-N 2.81Å; A178-W188 HydrophobicContact CB-CH2 3.78Å; A178-W188 HydrophobicContact CB-CZ3 3.75Å; W186-W188 HydrophobicContact CB-CE3 4.44Å; W186-W188 HydrophobicContact CB-CH2 3.32Å; W186-W188 HydrophobicContact CB-CZ2 3.44Å; W186-W188 VanDerWaalsContact CB-CZ2 3.44Å; W186-W188 HydrophobicContact CB-CZ3 3.85Å; W186-W188 HydrophobicContact CD2-CZ2 4.18Å; W186-W188 HydrophobicContact CE3-CZ2 4.17Å; W186-W188 HydrophobicContact CG-CH2 4.02Å; W186-W188 AromaticContact CG-CZ2 3.92Å; W186-W188 HydrophobicContact CG-CZ2 3.92Å; W188-I190 HydrophobicContact CB-CD1 3.87Å; W188-D194 WeakPolarHBondContact CA-O 3.37Å; W188-C195 PolarHBondContact NE1-SG 2.81Å; W188-C195 VanDerWaalsContact NE1-SG 3.42Å
189	K	97.9	Very high	95.4	Very high	110 Å²	110	46 Å²	46	48%	0.478	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125	161.1	-51.2	179.1	-156.5	157.5	0	109.5	V175 A192 G193 D194	V175-K189 HydrophobicContact CG2-CG 4.31Å; K189-A192 HydrophobicContact CB-CB 4.42Å; K189-A192 PolarHBondContact O-N 2.85Å; K189-A192 VanDerWaalsContact O-N 3.11Å; K189-G193 PolarHBondContact O-N 3.03Å; K189-D194 HydrophobicContact CB-CB 4.1Å; K189-D194 HydrophobicContact CD-CB 3.78Å; K189-D194 WeakPolarHBondContact CD-OD2 3.1Å; K189-D194 WeakPolarHBondContact CE-OD2 3.44Å; K189-D194 HydrophobicContact CG-CB 3.91Å; K189-D194 PolarHBondContact N-O 2.98Å; K189-D194 IonicContact NZ-OD2 2.77Å; K189-D194 PolarHBondContact NZ-OD2 3.19Å
190	I	97.9	Very high	94.7	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.046	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	138.6	-177.1	-51.9	-58.4	0	0	0	109.9	L135 V147 W157 W169 P174 L176 W188 A192	L135-I190 HydrophobicContact CD1-CG2 4.02Å; V147-I190 HydrophobicContact CB-CG2 4.17Å; V147-I190 HydrophobicContact CG1-CG2 3.94Å; V147-I190 HydrophobicContact CG2-CD1 4.45Å; V147-I190 HydrophobicContact CG2-CG2 4.2Å; W157-I190 HydrophobicContact CB-CG2 4.36Å; W157-I190 HydrophobicContact CD2-CD1 3.64Å; W157-I190 HydrophobicContact CE3-CD1 3.74Å; W157-I190 HydrophobicContact CG-CD1 4.22Å; W157-I190 HydrophobicContact CH2-CD1 3.95Å; W157-I190 HydrophobicContact CZ2-CD1 3.89Å; W157-I190 HydrophobicContact CZ3-CD1 3.89Å; W169-I190 HydrophobicContact CH2-CB 4.39Å; W169-I190 HydrophobicContact CH2-CG1 4.16Å; W169-I190 HydrophobicContact CH2-CG2 4.39Å; W169-I190 HydrophobicContact CZ3-CB 4.34Å; W169-I190 HydrophobicContact CZ3-CG1 3.99Å; P174-I190 PolarHBondContact O-N 3.17Å; L176-I190 HydrophobicContact CB-CD1 4.25Å; L176-I190 HydrophobicContact CB-CG1 3.98Å; W188-I190 HydrophobicContact CB-CD1 3.87Å; I190-A192 VanDerWaalsContact C-N 3.34Å
191	P	95.9	Very high	93.8	Very high	80 Å²	80	50.9 Å²	50.9	52%	0.519	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.5	11.5	-7.5	36.9	-35.9	0	0	0	113.7	I156 W157 G193	I156-P191 HydrophobicContact CD1-CB 4.06Å; I156-P191 HydrophobicContact CD1-CG 4.43Å; I156-P191 HydrophobicContact CG1-CB 4.4Å; W157-P191 HydrophobicContact CB-CB 4.34Å; P191-G193 VanDerWaalsContact C-N 3.26Å; P191-G193 PolarHBondContact O-N 2.87Å
192	A	95.3	Very high	93	Very high	75 Å²	75	52.4 Å²	52.4	62%	0.62	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.2	-172.2	0	0	0	0	0	114.8	K189 I190 D194	K189-A192 HydrophobicContact CB-CB 4.42Å; K189-A192 PolarHBondContact O-N 2.85Å; K189-A192 VanDerWaalsContact O-N 3.11Å; I190-A192 VanDerWaalsContact C-N 3.34Å; A192-D194 VanDerWaalsContact C-N 3.25Å; A192-D194 PolarHBondContact O-N 3.47Å
193	G	91	Very high	92.9	Very high	33 Å²	33	49.8 Å²	49.8	34%	0.34	30%	0.299	S	S	.	.			trans	76.9	3	-179.8	0	0	0	0	0	115.1	K189 P191 C195	K189-G193 PolarHBondContact O-N 3.03Å; P191-G193 VanDerWaalsContact C-N 3.26Å; P191-G193 PolarHBondContact O-N 2.87Å; G193-C195 PolarHBondContact O-N 3Å
194	D	96.1	Very high	93	Very high	89 Å²	89	52.1 Å²	52.1	48%	0.476	31%	0.31	S	S	.	.			trans	-56.7	103.5	173	-84.6	-15.4	0	0	0	109.9	W188 K189 A192	W188-D194 WeakPolarHBondContact CA-O 3.37Å; K189-D194 HydrophobicContact CB-CB 4.1Å; K189-D194 HydrophobicContact CD-CB 3.78Å; K189-D194 WeakPolarHBondContact CD-OD2 3.1Å; K189-D194 WeakPolarHBondContact CE-OD2 3.44Å; K189-D194 HydrophobicContact CG-CB 3.91Å; K189-D194 PolarHBondContact N-O 2.98Å; K189-D194 IonicContact NZ-OD2 2.77Å; K189-D194 PolarHBondContact NZ-OD2 3.19Å; A192-D194 VanDerWaalsContact C-N 3.25Å; A192-D194 PolarHBondContact O-N 3.47Å
195	C	95.9	Very high	93.2	Very high	61 Å²	61	50.8 Å²	50.8	41%	0.412	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	147.2	-172.6	-172.9	0	0	0	0	112.7	M187 W188 G193	M187-C195 CarbonylContact O-C 3.58Å; M187-C195 WeakPolarHBondContact O-CA 3.42Å; W188-C195 PolarHBondContact NE1-SG 2.81Å; W188-C195 VanDerWaalsContact NE1-SG 3.42Å; G193-C195 PolarHBondContact O-N 3Å
196	K	96	Very high	93.2	Very high	58 Å²	58	51.9 Å²	51.9	25%	0.252	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.7	161.9	-178.2	-169.2	-67.5	-174.8	0	109.6	W186 M187 F198 L231 K232	W186-K196 CarbonylContact C-O 3.5Å; M187-K196 HydrophobicContact CE-CB 4.14Å; M187-K196 HydrophobicContact CE-CD 4.11Å; M187-K196 PolarHBondContact N-O 3.02Å; M187-K196 PolarHBondContact O-N 3.29Å; K196-F198 HydrophobicContact CD-CE1 4.01Å; K196-F198 HydrophobicContact CD-CE2 3.95Å; K196-F198 HydrophobicContact CD-CZ 3.64Å; K196-F198 HydrophobicContact CG-CE2 4.32Å; K196-F198 HydrophobicContact CG-CZ 4.48Å; K196-L231 PolarHBondContact NZ-O 2.93Å; K196-K232 VanDerWaalsContact NZ-C 3.29Å; K196-K232 PolarHBondContact NZ-O 2.85Å
197	T	94.9	Very high	93.2	Very high	47 Å²	47	50 Å²	50	29%	0.288	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	145.8	170.8	-42.8	0	0	0	0	110	N184 V185 W186	N184-T197 HydrophobicContact CB-CG2 3.92Å; V185-T197 CarbonylContact O-C 3.6Å; V185-T197 WeakPolarHBondContact O-CA 3.42Å; W186-T197 HydrophobicContact CD2-CG2 4.19Å; W186-T197 HydrophobicContact CE3-CG2 4.38Å; W186-T197 HydrophobicContact CZ2-CG2 4.4Å; W186-T197 WeakPolarHBondContact CZ3-OG1 2.97Å
198	F	94.6	Very high	93.1	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	89.4	177.3	-61.2	-100.2	0	0	0	108.2	V185 M187 K196 W229 L231	V185-F198 HydrophobicContact CB-CB 4.26Å; V185-F198 HydrophobicContact CG1-CD2 4.29Å; V185-F198 PolarHBondContact N-O 2.79Å; V185-F198 WeakPolarHBondContact O-CD2 3.43Å; V185-F198 PolarHBondContact O-N 2.88Å; M187-F198 HydrophobicContact CB-CE2 3.76Å; M187-F198 HydrophobicContact CE-CE2 4.16Å; M187-F198 HydrophobicContact CE-CZ 3.97Å; M187-F198 HydrophobicContact SD-CE2 4.35Å; M187-F198 HydrophobicContact SD-CZ 4.29Å; K196-F198 HydrophobicContact CD-CE1 4.01Å; K196-F198 HydrophobicContact CD-CE2 3.95Å; K196-F198 HydrophobicContact CD-CZ 3.64Å; K196-F198 HydrophobicContact CG-CE2 4.32Å; K196-F198 HydrophobicContact CG-CZ 4.48Å; F198-W229 HydrophobicContact CB-CD2 4.23Å; F198-W229 HydrophobicContact CB-CE3 4.09Å; F198-W229 HydrophobicContact CB-CH2 4.12Å; F198-W229 HydrophobicContact CB-CZ2 4.24Å; F198-W229 HydrophobicContact CB-CZ3 4.04Å; F198-W229 HydrophobicContact CD1-CB 4.41Å; F198-W229 HydrophobicContact CD1-CD2 4.1Å; F198-W229 AromaticContact CD1-CE3 3.7Å; F198-W229 HydrophobicContact CD1-CE3 3.7Å; F198-W229 HydrophobicContact CD1-CG 4.43Å; F198-W229 HydrophobicContact CD1-CZ3 4.26Å; F198-W229 HydrophobicContact CG-CE3 4.36Å; F198-L231 HydrophobicContact CE1-CD2 4.09Å; F198-L231 HydrophobicContact CE2-CD2 4.24Å; F198-L231 HydrophobicContact CZ-CB 4.45Å; F198-L231 HydrophobicContact CZ-CD2 3.6Å
199	E	90.9	Very high	93.1	Very high	155 Å²	155	52.5 Å²	52.5	72%	0.724	32%	0.317	S	S	*	.			trans	-68.8	130.7	-171.4	-67.1	172	-163.1	0	0	113	N184 W229	N184-E199 WeakPolarHBondContact OD1-CA 3.11Å; E199-W229 WeakPolarHBondContact O-CH2 3.34Å
200	S	82.4	Confident	93.1	Very high	23 Å²	23	47.5 Å²	47.5	16%	0.161	30%	0.296	C	S	.	.			trans	-122.9	163.4	178.7	-164.2	0	0	0	0	109.7	G183 Y221 R227	G183-S200 WeakPolarHBondContact O-CB 3.33Å; S200-Y221 WeakPolarHBondContact OG-CE1 3.41Å; S200-R227 PolarHBondContact OG-NE 2.93Å
201	P	77	Confident	93.1	Very high	81 Å²	81	47.1 Å²	47.1	53%	0.526	29%	0.294	S	S	.	.			trans	-54.1	142.8	162.3	-24.3	35.5	0	0	0	110.6	C203	P201-C203 PolarHBondContact O-N 3.2Å
202	A	76.9	Confident	93.1	Very high	97 Å²	97	46.3 Å²	46.3	80%	0.802	29%	0.289	S	S	*	.	S	Bend	trans	-64.2	99.1	-177.9	0	0	0	0	0	111.1	D182	D182-A202 WeakPolarHBondContact O-CA 3.26Å
203	C	90.4	Very high	93.1	Very high	19 Å²	19	44.8 Å²	44.8	13%	0.128	27%	0.27	C	S	.	.	S	Bend	trans	-169.3	127.2	-174.3	170.7	0	0	0	0	106.4	G183 P201 A205 Y221 D223	G183-C203 WeakPolarHBondContact CA-O 3.29Å; P201-C203 PolarHBondContact O-N 3.2Å; C203-A205 PolarHBondContact O-N 3.16Å; C203-Y221 WeakPolarHBondContact O-CD1 3.34Å; C203-D223 PolarHBondContact SG-N 3.43Å
204	Q	95.6	Very high	93.3	Very high	49 Å²	49	44 Å²	44	23%	0.229	26%	0.262	C	S	.	.			trans	-51.5	127.6	-168.9	176.8	-179.1	55.7	0	0	112.5	E165 N181 T206 Y221 E222	E165-Q204 HydrophobicContact CG-CG 3.87Å; E165-Q204 WeakPolarHBondContact OE1-CG 3.3Å; E165-Q204 PolarHBondContact OE1-NE2 2.9Å; E165-Q204 PolarHBondContact OE2-NE2 2.98Å; N181-Q204 VanDerWaalsContact O-CA 3.3Å; N181-Q204 WeakPolarHBondContact O-CA 3.37Å; N181-Q204 PolarHBondContact O-N 3.25Å; Q204-T206 HydrophobicContact CB-CG2 4.29Å; Q204-T206 HydrophobicContact CG-CG2 3.72Å; Q204-T206 PolarHBondContact O-N 2.77Å; Q204-Y221 VanDerWaalsContact O-CA 3.29Å; Q204-Y221 WeakPolarHBondContact O-CA 3.3Å; Q204-E222 HydrophobicContact CB-CB 4.03Å; Q204-E222 PolarHBondContact O-N 2.88Å
205	A	97.1	Very high	93.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.267	C	S	.	.			trans	-84.1	63.9	179.3	0	0	0	0	0	110.5	W166 T180 V185 C203 S207 V219 G220 Y221	W166-A205 PolarHBondContact NE1-O 2.75Å; T180-A205 PolarHBondContact O-N 3.31Å; T180-A205 VanDerWaalsContact O-N 3.13Å; V185-A205 HydrophobicContact CG2-CB 4.23Å; C203-A205 PolarHBondContact O-N 3.16Å; A205-S207 PolarHBondContact O-N 3.46Å; A205-V219 HydrophobicContact CB-CG1 4.02Å; A205-G220 CarbonylContact C-O 3.55Å; A205-Y221 HydrophobicContact CB-CD1 4.1Å; A205-Y221 HydrophobicContact CB-CE1 3.74Å
206	T	97.4	Very high	93.4	Very high	26 Å²	26	44.7 Å²	44.7	16%	0.16	25%	0.253	C	S	.	.			trans	-55	-24.9	-166.1	57.4	0	0	0	0	116.5	Q204 G220 E222 L250	Q204-T206 HydrophobicContact CB-CG2 4.29Å; Q204-T206 HydrophobicContact CG-CG2 3.72Å; Q204-T206 PolarHBondContact O-N 2.77Å; T206-G220 PolarHBondContact N-O 3.32Å; T206-E222 HydrophobicContact CG2-CB 4.18Å; T206-L250 VanDerWaalsContact CB-O 3.22Å; T206-L250 WeakPolarHBondContact CB-O 3.46Å; T206-L250 PolarHBondContact OG1-O 2.84Å
207	S	97.1	Very high	93.5	Very high	7 Å²	7	42 Å²	42	5%	0.049	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	145.8	-177.2	50.6	0	0	0	0	113.4	W166 A205 V219 G220 L253	W166-S207 VanDerWaalsContact CD1-CA 3.43Å; A205-S207 PolarHBondContact O-N 3.46Å; S207-V219 CarbonylContact O-C 3.52Å; S207-V219 VanDerWaalsContact O-CA 3.31Å; S207-V219 WeakPolarHBondContact O-CA 3.25Å; S207-G220 PolarHBondContact N-O 2.89Å; S207-G220 PolarHBondContact O-N 3.33Å; S207-L253 WeakPolarHBondContact O-CD1 3.3Å
208	G	97.5	Very high	93.6	Very high	14 Å²	14	39.9 Å²	39.9	14%	0.144	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.7	179.9	0	0	0	0	0	114	W166 V218	W166-G208 VanDerWaalsContact CE2-CA 3.42Å; G208-V218 CarbonylContact C-O 3.59Å; G208-V218 WeakPolarHBondContact CA-O 3.5Å
209	K	97.8	Very high	93.8	Very high	67 Å²	67	39.8 Å²	39.8	29%	0.291	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	127	163.9	-147.1	173.6	-141.1	72.2	0	114.1	E168 A217 V218 L253 C255	E168-K209 WeakPolarHBondContact OE1-CG 3.09Å; E168-K209 VanDerWaalsContact OE2-C 3.27Å; E168-K209 WeakPolarHBondContact OE2-CA 3.45Å; K209-A217 CarbonylContact O-C 3.5Å; K209-A217 VanDerWaalsContact O-CA 3.29Å; K209-A217 WeakPolarHBondContact O-CA 3.37Å; K209-V218 PolarHBondContact N-O 3.1Å; K209-V218 PolarHBondContact O-N 3.29Å; K209-L253 HydrophobicContact CB-CB 4.18Å; K209-L253 HydrophobicContact CB-CD1 4.5Å; K209-L253 WeakPolarHBondContact CD-O 3.44Å; K209-L253 WeakPolarHBondContact CE-O 3.03Å; K209-L253 PolarHBondContact NZ-O 3.5Å; K209-C255 HydrophobicContact CD-CB 4.42Å
210	V	98.1	Very high	94.1	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	131.3	168.7	178.8	0	0	0	0	108.9	E168 P171 L177 A217 L231	E168-V210 VanDerWaalsContact CD-N 3.31Å; E168-V210 PolarHBondContact OE1-N 3.21Å; E168-V210 WeakPolarHBondContact OE2-CG2 3.38Å; E168-V210 PolarHBondContact OE2-N 2.95Å; P171-V210 VanDerWaalsContact CD-CG1 3.43Å; P171-V210 HydrophobicContact CG-CG1 4.08Å; L177-V210 HydrophobicContact CD1-CG2 3.78Å; L177-V210 HydrophobicContact CD2-CG2 3.75Å; L177-V210 HydrophobicContact CG-CG2 4.32Å; V210-A217 HydrophobicContact CG2-CB 4.3Å; V210-L231 HydrophobicContact CG1-CD1 4.27Å
211	L	97.4	Very high	94.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	19%	0.186	C	C	.	.			trans	-76.8	148.5	177.8	-60.9	-172.9	0	0	0	110.7	D213 G214 R216 V218 C255 T276	L211-D213 PolarHBondContact O-N 3.15Å; L211-G214 PolarHBondContact O-N 3.17Å; L211-R216 HydrophobicContact CB-CB 4.35Å; L211-R216 HydrophobicContact CD1-CB 3.84Å; L211-R216 HydrophobicContact CG-CB 4.23Å; L211-R216 PolarHBondContact N-O 3.37Å; L211-V218 HydrophobicContact CD1-CG2 4.23Å; L211-V218 HydrophobicContact CD2-CG2 4.01Å; L211-V218 HydrophobicContact CG-CG2 4.21Å; L211-C255 HydrophobicContact CD2-CB 3.7Å; L211-T276 HydrophobicContact CD1-CG2 3.8Å; L211-T276 HydrophobicContact CD2-CG2 4.41Å
212	P	95.8	Very high	95.8	Very high	63 Å²	63	32.3 Å²	32.3	41%	0.409	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-10.5	-178.9	-28.4	35.4	0	0	0	116.1	G214	P212-G214 VanDerWaalsContact C-N 3.34Å
213	D	95.3	Very high	96.7	Very high	42 Å²	42	32.3 Å²	32.3	23%	0.225	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-10	176.1	69.7	26.8	0	0	0	115	L211 K215 R216	L211-D213 PolarHBondContact O-N 3.15Å; D213-K215 HydrophobicContact CB-CD 4.46Å; D213-K215 WeakPolarHBondContact O-CD 3.47Å; D213-K215 VanDerWaalsContact O-CE 3.28Å; D213-K215 WeakPolarHBondContact O-CE 3.45Å; D213-K215 PolarHBondContact O-N 3.11Å; D213-K215 PolarHBondContact O-NZ 3.19Å; D213-K215 WeakPolarHBondContact OD1-CA 3.24Å; D213-K215 WeakPolarHBondContact OD1-CB 3.49Å; D213-K215 PolarHBondContact OD1-N 2.92Å; D213-R216 PolarHBondContact OD1-N 2.87Å; D213-R216 VanDerWaalsContact OD1-N 3.09Å; D213-R216 IonicContact OD2-CZ 3.25Å; D213-R216 IonicContact OD2-NE 3.17Å; D213-R216 PolarHBondContact OD2-NE 2.63Å; D213-R216 IonicContact OD2-NH2 2.76Å; D213-R216 PolarHBondContact OD2-NH2 2.91Å
214	G	96	Very high	97	Very high	18 Å²	18	31.4 Å²	31.4	19%	0.186	16%	0.164	C	C	.	.	S	Bend	trans	64.2	22.1	179.8	0	0	0	0	0	114.9	H170 L211 P212	H170-G214 WeakPolarHBondContact NE2-CA 3.44Å; H170-G214 PolarHBondContact NE2-O 2.76Å; H170-G214 VanDerWaalsContact NE2-O 3.14Å; L211-G214 PolarHBondContact O-N 3.17Å; P212-G214 VanDerWaalsContact C-N 3.34Å
215	K	96.6	Very high	97	Very high	132 Å²	132	29.4 Å²	29.4	57%	0.574	16%	0.156	S	C	*	.	S	Bend	trans	-130.2	-21.9	-176.2	-64.3	145.9	-163.2	128.2	0	112.6	D213 L231	D213-K215 HydrophobicContact CB-CD 4.46Å; D213-K215 WeakPolarHBondContact O-CD 3.47Å; D213-K215 VanDerWaalsContact O-CE 3.28Å; D213-K215 WeakPolarHBondContact O-CE 3.45Å; D213-K215 PolarHBondContact O-N 3.11Å; D213-K215 PolarHBondContact O-NZ 3.19Å; D213-K215 WeakPolarHBondContact OD1-CA 3.24Å; D213-K215 WeakPolarHBondContact OD1-CB 3.49Å; D213-K215 PolarHBondContact OD1-N 2.92Å; K215-L231 WeakPolarHBondContact O-CB 3.27Å; K215-L231 PolarHBondContact O-N 2.72Å
216	R	97.2	Very high	97.1	Very high	31 Å²	31	29.4 Å²	29.4	12%	0.117	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.9	-179.3	-65.6	178.9	-66.6	149.8	10.4	110.7	L211 D213 W229 I237 G259 T276	L211-R216 HydrophobicContact CB-CB 4.35Å; L211-R216 HydrophobicContact CD1-CB 3.84Å; L211-R216 HydrophobicContact CG-CB 4.23Å; L211-R216 PolarHBondContact N-O 3.37Å; D213-R216 PolarHBondContact OD1-N 2.87Å; D213-R216 VanDerWaalsContact OD1-N 3.09Å; D213-R216 IonicContact OD2-CZ 3.25Å; D213-R216 IonicContact OD2-NE 3.17Å; D213-R216 PolarHBondContact OD2-NE 2.63Å; D213-R216 IonicContact OD2-NH2 2.76Å; D213-R216 PolarHBondContact OD2-NH2 2.91Å; R216-W229 WeakPolarHBondContact CA-O 3.47Å; R216-W229 WeakPolarHBondContact CB-O 3.43Å; R216-I237 HydrophobicContact CG-CD1 3.8Å; R216-G259 PolarHBondContact NH2-O 2.93Å; R216-T276 PolarHBondContact NH1-O 2.8Å; R216-T276 VanDerWaalsContact NH1-O 3.09Å; R216-T276 PolarHBondContact NH1-OG1 3.24Å
217	A	97.7	Very high	97.1	Very high	2 Å²	2	30 Å²	30	2%	0.017	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	160.7	162.5	0	0	0	0	0	109.1	L177 K209 V210 V228 W229 L231	L177-A217 HydrophobicContact CD2-CB 4.18Å; K209-A217 CarbonylContact O-C 3.5Å; K209-A217 VanDerWaalsContact O-CA 3.29Å; K209-A217 WeakPolarHBondContact O-CA 3.37Å; V210-A217 HydrophobicContact CG2-CB 4.3Å; A217-V228 WeakPolarHBondContact O-CA 3.42Å; A217-W229 PolarHBondContact N-O 2.98Å; A217-W229 PolarHBondContact O-N 3.28Å; A217-L231 HydrophobicContact CB-CD1 4.35Å; A217-L231 HydrophobicContact CB-CD2 3.8Å; A217-L231 HydrophobicContact CB-CG 4.3Å
218	V	98	Very high	97.1	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.5	169.8	-168.3	0	0	0	0	109.3	G208 K209 L211 I226 R227 V228 M262	G208-V218 CarbonylContact C-O 3.59Å; G208-V218 WeakPolarHBondContact CA-O 3.5Å; K209-V218 PolarHBondContact N-O 3.1Å; K209-V218 PolarHBondContact O-N 3.29Å; L211-V218 HydrophobicContact CD1-CG2 4.23Å; L211-V218 HydrophobicContact CD2-CG2 4.01Å; L211-V218 HydrophobicContact CG-CG2 4.21Å; V218-I226 HydrophobicContact CG1-CG2 3.53Å; V218-R227 VanDerWaalsContact CA-O 3.3Å; V218-R227 WeakPolarHBondContact CA-O 3.35Å; V218-R227 WeakPolarHBondContact CG1-O 3.38Å; V218-V228 HydrophobicContact CG1-CG2 4.34Å; V218-V228 HydrophobicContact CG2-CG1 4.32Å; V218-V228 HydrophobicContact CG2-CG2 4.11Å; V218-M262 HydrophobicContact CB-CE 3.96Å; V218-M262 HydrophobicContact CB-SD 4.22Å; V218-M262 HydrophobicContact CG1-CE 3.31Å; V218-M262 HydrophobicContact CG1-SD 3.67Å; V218-M262 HydrophobicContact CG2-CE 4.16Å; V218-M262 HydrophobicContact CG2-SD 3.81Å
219	V	98.2	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129	-178.2	-173.6	0	0	0	0	108.2	W166 V185 A205 S207 Y221 R227	W166-V219 HydrophobicContact CZ2-CG1 4.27Å; W166-V219 HydrophobicContact CZ2-CG2 4.2Å; V185-V219 HydrophobicContact CG2-CB 4.47Å; V185-V219 HydrophobicContact CG2-CG1 3.83Å; V185-V219 HydrophobicContact CG2-CG2 3.83Å; A205-V219 HydrophobicContact CB-CG1 4.02Å; S207-V219 CarbonylContact O-C 3.52Å; S207-V219 VanDerWaalsContact O-CA 3.31Å; S207-V219 WeakPolarHBondContact O-CA 3.25Å; V219-Y221 HydrophobicContact CB-CE2 3.77Å; V219-Y221 HydrophobicContact CG1-CD2 4.28Å; V219-Y221 HydrophobicContact CG1-CE1 4.07Å; V219-Y221 HydrophobicContact CG1-CE2 3.55Å; V219-Y221 VanDerWaalsContact CG1-CZ 3.43Å; V219-Y221 WeakPolarHBondContact CG1-OH 3.18Å; V219-R227 PolarHBondContact N-O 2.92Å; V219-R227 PolarHBondContact O-N 2.86Å
220	G	97.6	Very high	97	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	153.6	168.6	0	0	0	0	0	110.9	A205 T206 S207	A205-G220 CarbonylContact C-O 3.55Å; T206-G220 PolarHBondContact N-O 3.32Å; S207-G220 PolarHBondContact N-O 2.89Å; S207-G220 PolarHBondContact O-N 3.33Å
221	Y	97.7	Very high	97	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	14%	0.143	C	C	.	.			trans	-133.8	157.9	-175.4	-65.3	-90.1	0	0	0	111.6	S200 C203 Q204 A205 V219 D223 G224 T225 R227 L250	S200-Y221 WeakPolarHBondContact OG-CE1 3.41Å; C203-Y221 WeakPolarHBondContact O-CD1 3.34Å; Q204-Y221 VanDerWaalsContact O-CA 3.29Å; Q204-Y221 WeakPolarHBondContact O-CA 3.3Å; A205-Y221 HydrophobicContact CB-CD1 4.1Å; A205-Y221 HydrophobicContact CB-CE1 3.74Å; V219-Y221 HydrophobicContact CB-CE2 3.77Å; V219-Y221 HydrophobicContact CG1-CD2 4.28Å; V219-Y221 HydrophobicContact CG1-CE1 4.07Å; V219-Y221 HydrophobicContact CG1-CE2 3.55Å; V219-Y221 VanDerWaalsContact CG1-CZ 3.43Å; V219-Y221 WeakPolarHBondContact CG1-OH 3.18Å; Y221-D223 VanDerWaalsContact C-N 3.29Å; Y221-D223 PolarHBondContact O-N 2.97Å; Y221-G224 PolarHBondContact O-N 3.07Å; Y221-G224 VanDerWaalsContact O-N 3.15Å; Y221-T225 HydrophobicContact CD2-CG2 4.26Å; Y221-T225 WeakPolarHBondContact CD2-O 3.01Å; Y221-T225 PolarHBondContact N-O 3.19Å; Y221-T225 VanDerWaalsContact N-O 3.14Å; Y221-R227 HydrophobicContact CD2-CG 4.29Å; Y221-R227 HydrophobicContact CE2-CB 3.95Å; Y221-R227 HydrophobicContact CE2-CG 3.57Å; Y221-L250 PolarHBondContact O-N 3.46Å
222	E	97	Very high	96.9	Very high	102 Å²	102	35.7 Å²	35.7	48%	0.477	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.1	176.1	-179.1	-159.1	-171.8	0	0	113.1	Q204 T206 G224 G248 A249	Q204-E222 HydrophobicContact CB-CB 4.03Å; Q204-E222 PolarHBondContact O-N 2.88Å; T206-E222 HydrophobicContact CG2-CB 4.18Å; E222-G224 PolarHBondContact O-N 2.98Å; E222-G224 VanDerWaalsContact O-N 3.14Å; E222-G248 CarbonylContact O-C 3.59Å; E222-A249 HydrophobicContact CB-CB 4.46Å; E222-A249 HydrophobicContact CG-CB 4.39Å; E222-A249 VanDerWaalsContact O-CA 3.23Å; E222-A249 WeakPolarHBondContact O-CA 3.36Å; E222-A249 PolarHBondContact O-N 3.47Å; E222-A249 VanDerWaalsContact O-N 3.16Å
223	D	95.4	Very high	96.8	Very high	97 Å²	97	38.2 Å²	38.2	52%	0.519	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	6	178.4	83.5	-21.4	0	0	0	114.7	C203 Y221 T225	C203-D223 PolarHBondContact SG-N 3.43Å; Y221-D223 VanDerWaalsContact C-N 3.29Å; Y221-D223 PolarHBondContact O-N 2.97Å; D223-T225 VanDerWaalsContact C-N 3.29Å; D223-T225 VanDerWaalsContact CG-OG1 3.24Å; D223-T225 PolarHBondContact O-N 3.43Å; D223-T225 WeakPolarHBondContact OD1-CA 3.41Å; D223-T225 WeakPolarHBondContact OD1-CB 3.29Å; D223-T225 PolarHBondContact OD1-N 2.9Å; D223-T225 PolarHBondContact OD1-OG1 3.35Å; D223-T225 PolarHBondContact OD2-OG1 3.49Å; D223-T225 VanDerWaalsContact OD2-OG1 3.04Å
224	G	96.1	Very high	96.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	80.4	1.9	-175.7	0	0	0	0	0	114.6	Y221 E222 G245 H246 G248	Y221-G224 PolarHBondContact O-N 3.07Å; Y221-G224 VanDerWaalsContact O-N 3.15Å; E222-G224 PolarHBondContact O-N 2.98Å; E222-G224 VanDerWaalsContact O-N 3.14Å; G224-G245 CarbonylContact O-C 3.5Å; G224-G245 WeakPolarHBondContact O-CA 3.19Å; G224-H246 PolarHBondContact O-N 2.9Å; G224-G248 VanDerWaalsContact CA-O 3.26Å; G224-G248 WeakPolarHBondContact CA-O 3.28Å
225	T	97.1	Very high	96.7	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.043	20%	0.195	C	C	.	.			trans	-68.4	144.1	175.6	-65.3	0	0	0	0	111.4	Y221 D223 R227 V239 L240	Y221-T225 HydrophobicContact CD2-CG2 4.26Å; Y221-T225 WeakPolarHBondContact CD2-O 3.01Å; Y221-T225 PolarHBondContact N-O 3.19Å; Y221-T225 VanDerWaalsContact N-O 3.14Å; D223-T225 VanDerWaalsContact C-N 3.29Å; D223-T225 VanDerWaalsContact CG-OG1 3.24Å; D223-T225 PolarHBondContact O-N 3.43Å; D223-T225 WeakPolarHBondContact OD1-CA 3.41Å; D223-T225 WeakPolarHBondContact OD1-CB 3.29Å; D223-T225 PolarHBondContact OD1-N 2.9Å; D223-T225 PolarHBondContact OD1-OG1 3.35Å; D223-T225 PolarHBondContact OD2-OG1 3.49Å; D223-T225 VanDerWaalsContact OD2-OG1 3.04Å; T225-R227 HydrophobicContact CG2-CG 3.91Å; T225-V239 HydrophobicContact CG2-CG1 3.81Å; T225-L240 CarbonylContact C-O 3.6Å; T225-L240 VanDerWaalsContact CA-O 3.31Å; T225-L240 WeakPolarHBondContact CA-O 3.26Å
226	I	97.6	Very high	96.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.7	166.7	-56.4	155.9	0	0	0	108.5	V218 V239 L240 L250 M262 T264 V274	V218-I226 HydrophobicContact CG1-CG2 3.53Å; I226-V239 WeakPolarHBondContact O-CA 3.37Å; I226-L240 HydrophobicContact CB-CB 4.24Å; I226-L240 HydrophobicContact CD1-CD2 4.45Å; I226-L240 PolarHBondContact N-O 2.55Å; I226-L240 PolarHBondContact O-N 3Å; I226-L250 HydrophobicContact CD1-CD2 4.3Å; I226-L250 HydrophobicContact CG1-CD1 4.4Å; I226-L250 HydrophobicContact CG1-CD2 3.61Å; I226-M262 HydrophobicContact CG2-CE 4.05Å; I226-M262 HydrophobicContact CG2-SD 4.37Å; I226-T264 HydrophobicContact CD1-CG2 3.79Å; I226-T264 HydrophobicContact CG1-CG2 4.16Å; I226-V274 HydrophobicContact CD1-CG2 4.38Å
227	R	97.3	Very high	96.6	Very high	37 Å²	37	37.3 Å²	37.3	14%	0.14	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.7	175.6	-62.5	-173	176.3	-137.8	-12.2	112.2	S200 V218 V219 Y221 T225 W229 H238 V239	S200-R227 PolarHBondContact OG-NE 2.93Å; V218-R227 VanDerWaalsContact CA-O 3.3Å; V218-R227 WeakPolarHBondContact CA-O 3.35Å; V218-R227 WeakPolarHBondContact CG1-O 3.38Å; V219-R227 PolarHBondContact N-O 2.92Å; V219-R227 PolarHBondContact O-N 2.86Å; Y221-R227 HydrophobicContact CD2-CG 4.29Å; Y221-R227 HydrophobicContact CE2-CB 3.95Å; Y221-R227 HydrophobicContact CE2-CG 3.57Å; T225-R227 HydrophobicContact CG2-CG 3.91Å; R227-W229 HydrophobicContact CB-CZ2 4.44Å; R227-W229 VanDerWaalsContact CD-CZ2 3.48Å; R227-H238 WeakPolarHBondContact CA-O 3.46Å; R227-V239 HydrophobicContact CG-CG1 4.35Å; R227-V239 HydrophobicContact CG-CG2 4.29Å
228	V	97.4	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.8	168.2	-172.7	0	0	0	0	108	A217 V218 I237 H238	A217-V228 WeakPolarHBondContact O-CA 3.42Å; V218-V228 HydrophobicContact CG1-CG2 4.34Å; V218-V228 HydrophobicContact CG2-CG1 4.32Å; V218-V228 HydrophobicContact CG2-CG2 4.11Å; V228-I237 HydrophobicContact CG1-CD1 4.45Å; V228-I237 WeakPolarHBondContact O-CB 3.41Å; V228-I237 PolarHBondContact O-N 2.9Å; V228-H238 HydrophobicContact CB-CB 4.1Å; V228-H238 HydrophobicContact CG2-CB 4.1Å; V228-H238 PolarHBondContact N-O 3.33Å; V228-H238 PolarHBondContact O-N 3.01Å
229	W	97.4	Very high	96.5	Very high	11 Å²	11	42.2 Å²	42.2	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	149.6	-174.7	-67.8	98.6	0	0	0	112.7	F198 E199 R216 A217 R227 A236	F198-W229 HydrophobicContact CB-CD2 4.23Å; F198-W229 HydrophobicContact CB-CE3 4.09Å; F198-W229 HydrophobicContact CB-CH2 4.12Å; F198-W229 HydrophobicContact CB-CZ2 4.24Å; F198-W229 HydrophobicContact CB-CZ3 4.04Å; F198-W229 HydrophobicContact CD1-CB 4.41Å; F198-W229 HydrophobicContact CD1-CD2 4.1Å; F198-W229 AromaticContact CD1-CE3 3.7Å; F198-W229 HydrophobicContact CD1-CE3 3.7Å; F198-W229 HydrophobicContact CD1-CG 4.43Å; F198-W229 HydrophobicContact CD1-CZ3 4.26Å; F198-W229 HydrophobicContact CG-CE3 4.36Å; E199-W229 WeakPolarHBondContact O-CH2 3.34Å; R216-W229 WeakPolarHBondContact CA-O 3.47Å; R216-W229 WeakPolarHBondContact CB-O 3.43Å; A217-W229 PolarHBondContact N-O 2.98Å; A217-W229 PolarHBondContact O-N 3.28Å; R227-W229 HydrophobicContact CB-CZ2 4.44Å; R227-W229 VanDerWaalsContact CD-CZ2 3.48Å; W229-A236 HydrophobicContact CD2-CB 4.41Å; W229-A236 HydrophobicContact CE3-CB 4.08Å; W229-A236 HydrophobicContact CH2-CB 4.44Å; W229-A236 HydrophobicContact CZ3-CB 4.09Å
230	D	97.1	Very high	96.4	Very high	33 Å²	33	42.5 Å²	42.5	18%	0.176	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	109	163.8	-175.7	-48.8	0	0	0	109.2	K232 H233 G234 N235 I237	D230-K232 PolarHBondContact O-N 3.02Å; D230-K232 WeakPolarHBondContact OD1-CA 3.23Å; D230-K232 WeakPolarHBondContact OD1-CB 3.46Å; D230-K232 PolarHBondContact OD1-N 2.82Å; D230-H233 HydrophobicContact CB-CB 4.34Å; D230-H233 PolarHBondContact O-N 2.61Å; D230-H233 IonicContact OD1-CG 3.65Å; D230-H233 PolarHBondContact OD1-N 2.97Å; D230-H233 IonicContact OD1-ND1 3.15Å; D230-H233 PolarHBondContact OD1-ND1 2.83Å; D230-H233 VanDerWaalsContact OD1-ND1 3.15Å; D230-H233 IonicContact OD2-CE1 3.65Å; D230-H233 IonicContact OD2-CG 3.79Å; D230-H233 IonicContact OD2-ND1 2.77Å; D230-H233 PolarHBondContact OD2-ND1 2.92Å; D230-G234 WeakPolarHBondContact O-CA 3.15Å; D230-G234 PolarHBondContact O-N 2.9Å; D230-N235 PolarHBondContact N-O 3.42Å; D230-I237 HydrophobicContact CB-CD1 3.95Å; D230-I237 HydrophobicContact CB-CG1 3.91Å
231	L	96.8	Very high	96.3	Very high	12 Å²	12	49.1 Å²	49.1	6%	0.063	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.9	-175.6	-64.1	179.9	0	0	0	112.9	L177 M187 K196 F198 V210 K215 A217	L177-L231 HydrophobicContact CD2-CD2 3.87Å; M187-L231 HydrophobicContact SD-CB 4.27Å; M187-L231 HydrophobicContact SD-CD2 4.22Å; K196-L231 PolarHBondContact NZ-O 2.93Å; F198-L231 HydrophobicContact CE1-CD2 4.09Å; F198-L231 HydrophobicContact CE2-CD2 4.24Å; F198-L231 HydrophobicContact CZ-CB 4.45Å; F198-L231 HydrophobicContact CZ-CD2 3.6Å; V210-L231 HydrophobicContact CG1-CD1 4.27Å; K215-L231 WeakPolarHBondContact O-CB 3.27Å; K215-L231 PolarHBondContact O-N 2.72Å; A217-L231 HydrophobicContact CB-CD1 4.35Å; A217-L231 HydrophobicContact CB-CD2 3.8Å; A217-L231 HydrophobicContact CB-CG 4.3Å
232	K	95.6	Very high	96.1	Very high	159 Å²	159	51.1 Å²	51.1	69%	0.691	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-46	179.2	-176.8	-171.7	170.8	-156.6	0	111.3	K196 D230	K196-K232 VanDerWaalsContact NZ-C 3.29Å; K196-K232 PolarHBondContact NZ-O 2.85Å; D230-K232 PolarHBondContact O-N 3.02Å; D230-K232 WeakPolarHBondContact OD1-CA 3.23Å; D230-K232 WeakPolarHBondContact OD1-CB 3.46Å; D230-K232 PolarHBondContact OD1-N 2.82Å
233	H	94.6	Very high	95.7	Very high	117 Å²	117	53.8 Å²	53.8	54%	0.542	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-22.1	-172.7	-57.9	112.5	0	0	0	113.8	D230 N235	D230-H233 HydrophobicContact CB-CB 4.34Å; D230-H233 PolarHBondContact O-N 2.61Å; D230-H233 IonicContact OD1-CG 3.65Å; D230-H233 PolarHBondContact OD1-N 2.97Å; D230-H233 IonicContact OD1-ND1 3.15Å; D230-H233 PolarHBondContact OD1-ND1 2.83Å; D230-H233 VanDerWaalsContact OD1-ND1 3.15Å; D230-H233 IonicContact OD2-CE1 3.65Å; D230-H233 IonicContact OD2-CG 3.79Å; D230-H233 IonicContact OD2-ND1 2.77Å; D230-H233 PolarHBondContact OD2-ND1 2.92Å; H233-N235 VanDerWaalsContact CB-OD1 3.31Å; H233-N235 WeakPolarHBondContact CB-OD1 3.41Å
234	G	93.4	Very high	95.6	Very high	25 Å²	25	53.5 Å²	53.5	26%	0.258	28%	0.28	S	S	.	.			trans	87.3	2.8	176.4	0	0	0	0	0	115.3	D230	D230-G234 WeakPolarHBondContact O-CA 3.15Å; D230-G234 PolarHBondContact O-N 2.9Å
235	N	94.3	Very high	95.5	Very high	79 Å²	79	53.5 Å²	53.5	42%	0.422	28%	0.28	S	S	.	.	S	Bend	trans	-101.1	151.3	-179.1	68.2	-83.6	0	0	0	112.3	D230 H233 I237	D230-N235 PolarHBondContact N-O 3.42Å; H233-N235 VanDerWaalsContact CB-OD1 3.31Å; H233-N235 WeakPolarHBondContact CB-OD1 3.41Å; N235-I237 PolarHBondContact O-N 2.81Å
236	A	95.4	Very high	95.5	Very high	31 Å²	31	53.2 Å²	53.2	26%	0.256	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	132.1	163.2	0	0	0	0	0	109	W229 V239	W229-A236 HydrophobicContact CD2-CB 4.41Å; W229-A236 HydrophobicContact CE3-CB 4.08Å; W229-A236 HydrophobicContact CH2-CB 4.44Å; W229-A236 HydrophobicContact CZ3-CB 4.09Å; A236-V239 HydrophobicContact CB-CG2 3.76Å
237	I	96.4	Very high	95.4	Very high	69 Å²	69	59.2 Å²	59.2	35%	0.354	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-45.4	171.3	-51	174.5	0	0	0	108.7	R216 V228 D230 N235	R216-I237 HydrophobicContact CG-CD1 3.8Å; V228-I237 HydrophobicContact CG1-CD1 4.45Å; V228-I237 WeakPolarHBondContact O-CB 3.41Å; V228-I237 PolarHBondContact O-N 2.9Å; D230-I237 HydrophobicContact CB-CD1 3.95Å; D230-I237 HydrophobicContact CB-CG1 3.91Å; N235-I237 PolarHBondContact O-N 2.81Å
238	H	97.1	Very high	95.3	Very high	39 Å²	39	58.2 Å²	58.2	18%	0.181	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.9	-180	-57.2	-63	0	0	0	110.2	R227 V228 L240 T276 T277 G279	R227-H238 WeakPolarHBondContact CA-O 3.46Å; V228-H238 HydrophobicContact CB-CB 4.1Å; V228-H238 HydrophobicContact CG2-CB 4.1Å; V228-H238 PolarHBondContact N-O 3.33Å; V228-H238 PolarHBondContact O-N 3.01Å; H238-L240 HydrophobicContact CB-CD1 4.05Å; H238-T276 PolarHBondContact CD2-O 2.95Å; H238-T277 PolarHBondContact NE2-O 2.67Å; H238-G279 PolarHBondContact CE1-N 3.04Å; H238-G279 PolarHBondContact NE2-N 2.73Å
239	V	96.6	Very high	95.2	Very high	67 Å²	67	59.4 Å²	59.4	41%	0.406	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	106.6	173.7	-177.1	0	0	0	0	107.8	T225 I226 R227 A236	T225-V239 HydrophobicContact CG2-CG1 3.81Å; I226-V239 WeakPolarHBondContact O-CA 3.37Å; R227-V239 HydrophobicContact CG-CG1 4.35Å; R227-V239 HydrophobicContact CG-CG2 4.29Å; A236-V239 HydrophobicContact CB-CG2 3.76Å
240	L	97	Very high	95.3	Very high	7 Å²	7	59 Å²	59	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.4	178.2	-65.2	72.3	0	0	0	108	T225 I226 H238 D244 V274 G279 V281	T225-L240 CarbonylContact C-O 3.6Å; T225-L240 VanDerWaalsContact CA-O 3.31Å; T225-L240 WeakPolarHBondContact CA-O 3.26Å; I226-L240 HydrophobicContact CB-CB 4.24Å; I226-L240 HydrophobicContact CD1-CD2 4.45Å; I226-L240 PolarHBondContact N-O 2.55Å; I226-L240 PolarHBondContact O-N 3Å; H238-L240 HydrophobicContact CB-CD1 4.05Å; L240-D244 HydrophobicContact CB-CB 4.1Å; L240-D244 HydrophobicContact CG-CB 4.43Å; L240-V274 HydrophobicContact CD1-CG1 4.45Å; L240-V274 HydrophobicContact CD2-CB 4.37Å; L240-V274 HydrophobicContact CD2-CG1 3.67Å; L240-V274 HydrophobicContact CD2-CG2 3.7Å; L240-G279 WeakPolarHBondContact CG-O 3.26Å; L240-V281 HydrophobicContact CD2-CG2 3.81Å
241	K	95.4	Very high	95.3	Very high	138 Å²	138	59.5 Å²	59.5	60%	0.6	32%	0.321	S	S	*	.			trans	-157.7	163.9	-176.6	63	177.4	-176.1	173.5	0	111.3	Q243 D244	K241-Q243 PolarHBondContact O-N 3.15Å; K241-D244 PolarHBondContact O-N 3.06Å
242	G	92.4	Very high	95.4	Very high	44 Å²	44	59.6 Å²	59.6	45%	0.454	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	-125.5	-174.9	0	0	0	0	0	110	D244 G245 Q247	G242-D244 VanDerWaalsContact C-N 3.28Å; G242-D244 PolarHBondContact O-N 3.44Å; G242-G245 CarbonylContact O-C 3.5Å; G242-G245 PolarHBondContact O-N 2.83Å; G242-G245 VanDerWaalsContact O-N 3.16Å; G242-Q247 PolarHBondContact O-NE2 3.15Å
243	Q	89.8	Confident	95.5	Very high	157 Å²	157	52.7 Å²	52.7	73%	0.734	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.5	-179.1	-60.2	-64.3	-90.2	0	0	113.7	K241 K272	K241-Q243 PolarHBondContact O-N 3.15Å; Q243-K272 PolarHBondContact O-NZ 3.18Å
244	D	92.9	Very high	95.6	Very high	92 Å²	92	47.6 Å²	47.6	49%	0.492	27%	0.271	S	S	.	.	S	Bend	trans	-81.3	-22.7	176.3	-63.8	-60.4	0	0	0	112.6	L240 K241 G242 V281	L240-D244 HydrophobicContact CB-CB 4.1Å; L240-D244 HydrophobicContact CG-CB 4.43Å; K241-D244 PolarHBondContact O-N 3.06Å; G242-D244 VanDerWaalsContact C-N 3.28Å; G242-D244 PolarHBondContact O-N 3.44Å; D244-V281 HydrophobicContact CB-CG2 4.38Å; D244-V281 VanDerWaalsContact O-CG2 3.23Å; D244-V281 WeakPolarHBondContact O-CG2 3.46Å
245	G	94.7	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-93	-178.6	173.1	0	0	0	0	0	112.5	G224 G242 K272	G224-G245 CarbonylContact O-C 3.5Å; G224-G245 WeakPolarHBondContact O-CA 3.19Å; G242-G245 CarbonylContact O-C 3.5Å; G242-G245 PolarHBondContact O-N 2.83Å; G242-G245 VanDerWaalsContact O-N 3.16Å; G245-K272 PolarHBondContact O-NZ 3.19Å
246	H	96.6	Very high	95.9	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.256	C	S	.	.			trans	-76.3	173.8	171.2	-74.3	-92.4	0	0	0	111.6	G224 L250 T264 S266 D268 C270	G224-H246 PolarHBondContact O-N 2.9Å; H246-L250 HydrophobicContact CB-CD1 4.04Å; H246-T264 PolarHBondContact NE2-OG1 2.83Å; H246-S266 WeakPolarHBondContact ND1-CB 3.44Å; H246-D268 WeakPolarHBondContact CA-OD2 3.24Å; H246-D268 WeakPolarHBondContact CB-OD2 3.2Å; H246-D268 IonicContact CE1-OD1 2.66Å; H246-D268 IonicContact CG-OD1 2.72Å; H246-D268 IonicContact CG-OD2 3.9Å; H246-D268 IonicContact ND1-OD1 3.16Å; H246-D268 PolarHBondContact ND1-OD1 2.6Å; H246-D268 IonicContact ND1-OD2 2.89Å; H246-D268 PolarHBondContact ND1-OD2 3.42Å; H246-C270 PolarHBondContact CE1-O 3.28Å
247	Q	95.3	Very high	95.8	Very high	125 Å²	125	50.2 Å²	50.2	58%	0.584	27%	0.271	S	S	*	.	S	Bend	trans	-109	11.6	176.5	-55	-66.3	-108.5	0	0	112.9	G242 D268	G242-Q247 PolarHBondContact O-NE2 3.15Å; Q247-D268 HydrophobicContact CB-CB 4.23Å; Q247-D268 PolarHBondContact N-OD2 3.05Å
248	G	94.7	Very high	95.7	Very high	17 Å²	17	52 Å²	52	18%	0.175	28%	0.281	C	S	.	.	S	Bend	trans	-159.2	-175.8	170	0	0	0	0	0	110	E222 G224 S266	E222-G248 CarbonylContact O-C 3.59Å; G224-G248 VanDerWaalsContact CA-O 3.26Å; G224-G248 WeakPolarHBondContact CA-O 3.28Å; G248-S266 PolarHBondContact O-OG 3.13Å
249	A	96.5	Very high	95.6	Very high	25 Å²	25	50.1 Å²	50.1	21%	0.207	27%	0.272	C	S	.	.			trans	-55.5	141.7	-178.9	0	0	0	0	0	112.9	E222 S266 V267	E222-A249 HydrophobicContact CB-CB 4.46Å; E222-A249 HydrophobicContact CG-CB 4.39Å; E222-A249 VanDerWaalsContact O-CA 3.23Å; E222-A249 WeakPolarHBondContact O-CA 3.36Å; E222-A249 PolarHBondContact O-N 3.47Å; E222-A249 VanDerWaalsContact O-N 3.16Å; A249-S266 VanDerWaalsContact O-CA 3.23Å; A249-S266 WeakPolarHBondContact O-CA 3.39Å; A249-S266 VanDerWaalsContact O-CB 3.24Å; A249-S266 WeakPolarHBondContact O-CB 3.48Å; A249-S266 PolarHBondContact O-OG 3.48Å; A249-V267 HydrophobicContact CB-CG2 4.35Å; A249-V267 PolarHBondContact O-N 3.13Å
250	L	97.9	Very high	95.5	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	135.9	169.5	-82.6	82.4	0	0	0	110.3	T206 Y221 I226 H246 L253 T264 G265	T206-L250 VanDerWaalsContact CB-O 3.22Å; T206-L250 WeakPolarHBondContact CB-O 3.46Å; T206-L250 PolarHBondContact OG1-O 2.84Å; Y221-L250 PolarHBondContact O-N 3.46Å; I226-L250 HydrophobicContact CD1-CD2 4.3Å; I226-L250 HydrophobicContact CG1-CD1 4.4Å; I226-L250 HydrophobicContact CG1-CD2 3.61Å; H246-L250 HydrophobicContact CB-CD1 4.04Å; L250-L253 HydrophobicContact CD2-CD2 4.1Å; L250-T264 HydrophobicContact CD2-CG2 3.89Å; L250-G265 WeakPolarHBondContact CA-O 3Å
251	T	98.1	Very high	95.6	Very high	43 Å²	43	49.7 Å²	49.7	26%	0.264	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-44.1	-176.4	44.3	0	0	0	0	111.4	G265 S266 V267 V304	T251-G265 PolarHBondContact N-O 3.01Å; T251-G265 VanDerWaalsContact N-O 3.14Å; T251-G265 PolarHBondContact OG1-O 3.34Å; T251-S266 PolarHBondContact OG1-N 2.7Å; T251-V267 HydrophobicContact CG2-CG1 3.83Å; T251-V304 WeakPolarHBondContact CB-O 3.43Å; T251-V304 PolarHBondContact OG1-O 3.2Å
252	C	98	Very high	95.7	Very high	14 Å²	14	43.2 Å²	43.2	10%	0.095	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	151.9	-169.9	58	0	0	0	0	113.7	G265 E305 S306 V307	C252-G265 PolarHBondContact O-N 2.82Å; C252-E305 VanDerWaalsContact CB-O 3.24Å; C252-E305 WeakPolarHBondContact CB-O 3.43Å; C252-E305 VanDerWaalsContact SG-C 3.59Å; C252-E305 PolarHBondContact SG-O 3.34Å; C252-E305 VanDerWaalsContact SG-O 3.39Å; C252-S306 VanDerWaalsContact SG-CA 3.57Å; C252-V307 HydrophobicContact CB-CG2 4.36Å
253	L	98.1	Very high	96	Very high	14 Å²	14	41.1 Å²	41.1	7%	0.073	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	129.2	-177	-63.9	177.9	0	0	0	111.8	S207 K209 L250 M262 T264	S207-L253 WeakPolarHBondContact O-CD1 3.3Å; K209-L253 HydrophobicContact CB-CB 4.18Å; K209-L253 HydrophobicContact CB-CD1 4.5Å; K209-L253 WeakPolarHBondContact CD-O 3.44Å; K209-L253 WeakPolarHBondContact CE-O 3.03Å; K209-L253 PolarHBondContact NZ-O 3.5Å; L250-L253 HydrophobicContact CD2-CD2 4.1Å; L253-M262 HydrophobicContact CD2-CE 4.12Å; L253-T264 HydrophobicContact CD2-CG2 3.5Å
254	A	98	Very high	96.4	Very high	11 Å²	11	33.7 Å²	33.7	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.7	167.9	0	0	0	0	0	112	M262 L263 V307 F309	A254-M262 CarbonylContact O-C 3.49Å; A254-M262 WeakPolarHBondContact O-CA 3.46Å; A254-M262 WeakPolarHBondContact O-CB 3.43Å; A254-L263 PolarHBondContact N-O 2.85Å; A254-L263 PolarHBondContact O-N 2.79Å; A254-V307 HydrophobicContact CB-CG2 4.02Å; A254-V307 WeakPolarHBondContact CB-O 3.43Å; A254-F309 HydrophobicContact CB-CD2 4.18Å; A254-F309 HydrophobicContact CB-CE2 4.25Å
255	C	97	Very high	96.6	Very high	32 Å²	32	29.3 Å²	29.3	22%	0.216	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	152	170.9	61.2	0	0	0	0	109.6	K209 L211 F309	K209-C255 HydrophobicContact CD-CB 4.42Å; L211-C255 HydrophobicContact CD2-CB 3.7Å; C255-F309 VanDerWaalsContact C-CD2 3.46Å; C255-F309 WeakPolarHBondContact O-CD2 3.07Å
256	N	96.2	Very high	96.8	Very high	25 Å²	25	29.3 Å²	29.3	13%	0.134	16%	0.162	C	C	.	.			trans	-80.2	165.5	169	80.2	-36.9	0	0	0	110.5	D258 G259 S260 L261 F309	N256-D258 VanDerWaalsContact CG-OD1 3.28Å; N256-D258 PolarHBondContact ND2-OD1 3.25Å; N256-D258 PolarHBondContact O-N 3.02Å; N256-D258 PolarHBondContact OD1-OD1 2.72Å; N256-D258 VanDerWaalsContact OD1-OD1 3.06Å; N256-G259 PolarHBondContact O-N 3.45Å; N256-G259 PolarHBondContact OD1-N 3.06Å; N256-S260 PolarHBondContact OD1-N 3Å; N256-L261 HydrophobicContact CB-CB 4.24Å; N256-L261 PolarHBondContact N-O 2.75Å; N256-L261 PolarHBondContact OD1-N 2.88Å; N256-L261 PolarHBondContact OD1-O 3.09Å; N256-F309 HydrophobicContact CB-CD1 3.83Å; N256-F309 HydrophobicContact CB-CD2 4.14Å; N256-F309 HydrophobicContact CB-CE1 4Å; N256-F309 HydrophobicContact CB-CE2 4.3Å; N256-F309 HydrophobicContact CB-CG 3.91Å; N256-F309 HydrophobicContact CB-CZ 4.23Å
257	K	93.8	Very high	96.8	Very high	132 Å²	132	32.1 Å²	32.1	57%	0.574	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.8	-171	-168.6	162.4	-175.7	162.6	0	116.4	E352	K257-E352 IonicContact NZ-OE1 3.8Å; K257-E352 PolarHBondContact NZ-OE1 3.48Å
258	D	93.9	Very high	96.8	Very high	107 Å²	107	27.5 Å²	27.5	57%	0.572	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-0.8	174.8	76.5	-4.7	0	0	0	114.2	N256 S260	N256-D258 VanDerWaalsContact CG-OD1 3.28Å; N256-D258 PolarHBondContact ND2-OD1 3.25Å; N256-D258 PolarHBondContact O-N 3.02Å; N256-D258 PolarHBondContact OD1-OD1 2.72Å; N256-D258 VanDerWaalsContact OD1-OD1 3.06Å; D258-S260 VanDerWaalsContact CG-OG 3.31Å; D258-S260 PolarHBondContact O-N 2.54Å; D258-S260 WeakPolarHBondContact OD1-CB 3.14Å; D258-S260 PolarHBondContact OD1-N 3.39Å; D258-S260 PolarHBondContact OD1-OG 3.02Å; D258-S260 PolarHBondContact OD2-OG 3.34Å
259	G	94.4	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	64.2	18.1	-178.4	0	0	0	0	0	114.6	R216 N256 T276	R216-G259 PolarHBondContact NH2-O 2.93Å; N256-G259 PolarHBondContact O-N 3.45Å; N256-G259 PolarHBondContact OD1-N 3.06Å; G259-T276 PolarHBondContact O-OG1 3.02Å
260	S	95.8	Very high	96.8	Very high	31 Å²	31	26.9 Å²	26.9	22%	0.217	15%	0.151	C	C	.	.	S	Bend	trans	-86.9	-22	175.9	71.2	0	0	0	0	113.4	N256 D258 N275 T276	N256-S260 PolarHBondContact OD1-N 3Å; D258-S260 VanDerWaalsContact CG-OG 3.31Å; D258-S260 PolarHBondContact O-N 2.54Å; D258-S260 WeakPolarHBondContact OD1-CB 3.14Å; D258-S260 PolarHBondContact OD1-N 3.39Å; D258-S260 PolarHBondContact OD1-OG 3.02Å; D258-S260 PolarHBondContact OD2-OG 3.34Å; S260-N275 WeakPolarHBondContact O-CA 3.45Å; S260-N275 PolarHBondContact O-ND2 3.15Å; S260-N275 VanDerWaalsContact O-ND2 3.08Å; S260-T276 WeakPolarHBondContact CA-OG1 3.47Å; S260-T276 PolarHBondContact O-N 3.44Å; S260-T276 PolarHBondContact O-OG1 2.8Å
261	L	97.6	Very high	96.8	Very high	33 Å²	33	26.8 Å²	26.8	17%	0.173	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.1	173.9	-63.2	175.8	0	0	0	110.5	N256 L273 V274 N275 V282 F309 L330	N256-L261 HydrophobicContact CB-CB 4.24Å; N256-L261 PolarHBondContact N-O 2.75Å; N256-L261 PolarHBondContact OD1-N 2.88Å; N256-L261 PolarHBondContact OD1-O 3.09Å; L261-L273 HydrophobicContact CB-CD1 4.26Å; L261-L273 HydrophobicContact CD1-CD1 4.42Å; L261-V274 WeakPolarHBondContact CA-O 3.34Å; L261-N275 HydrophobicContact CD2-CB 4.25Å; L261-V282 HydrophobicContact CD2-CG2 4.26Å; L261-F309 HydrophobicContact CB-CE1 4.2Å; L261-F309 HydrophobicContact CB-CZ 4.13Å; L261-L330 HydrophobicContact CD1-CD1 4.44Å; L261-L330 HydrophobicContact CD1-CD2 4.34Å
262	M	97.8	Very high	96.8	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.015	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.2	170.6	61.4	170.4	-58.4	0	0	109.3	V218 I226 L253 A254 T264 L273 V274 T276	V218-M262 HydrophobicContact CB-CE 3.96Å; V218-M262 HydrophobicContact CB-SD 4.22Å; V218-M262 HydrophobicContact CG1-CE 3.31Å; V218-M262 HydrophobicContact CG1-SD 3.67Å; V218-M262 HydrophobicContact CG2-CE 4.16Å; V218-M262 HydrophobicContact CG2-SD 3.81Å; I226-M262 HydrophobicContact CG2-CE 4.05Å; I226-M262 HydrophobicContact CG2-SD 4.37Å; L253-M262 HydrophobicContact CD2-CE 4.12Å; A254-M262 CarbonylContact O-C 3.49Å; A254-M262 WeakPolarHBondContact O-CA 3.46Å; A254-M262 WeakPolarHBondContact O-CB 3.43Å; M262-T264 HydrophobicContact CE-CG2 3.25Å; M262-L273 WeakPolarHBondContact O-CA 3.25Å; M262-V274 HydrophobicContact CG-CB 3.68Å; M262-V274 HydrophobicContact CG-CG1 4.36Å; M262-V274 WeakPolarHBondContact CG-O 3.47Å; M262-V274 PolarHBondContact N-O 3.22Å; M262-V274 PolarHBondContact O-N 2.86Å; M262-V274 HydrophobicContact SD-CB 3.95Å; M262-V274 HydrophobicContact SD-CG1 4.19Å; M262-T276 HydrophobicContact CB-CG2 3.79Å; M262-T276 HydrophobicContact CG-CG2 3.65Å; M262-T276 HydrophobicContact SD-CG2 4.08Å
263	L	98.5	Very high	96.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.7	176.8	-173.8	56.8	0	0	0	107.4	A254 A271 K272 L273 F285 V307 F309 I316	A254-L263 PolarHBondContact N-O 2.85Å; A254-L263 PolarHBondContact O-N 2.79Å; L263-A271 HydrophobicContact CD1-CB 3.99Å; L263-K272 WeakPolarHBondContact CA-O 3.47Å; L263-L273 HydrophobicContact CD1-CB 4.46Å; L263-F285 HydrophobicContact CD1-CD2 4.02Å; L263-F285 HydrophobicContact CD1-CE2 3.87Å; L263-V307 HydrophobicContact CB-CB 4.46Å; L263-V307 HydrophobicContact CB-CG2 4.4Å; L263-V307 HydrophobicContact CD2-CB 3.83Å; L263-V307 HydrophobicContact CD2-CG1 4.26Å; L263-V307 HydrophobicContact CG-CB 3.82Å; L263-V307 HydrophobicContact CG-CG1 4.08Å; L263-V307 HydrophobicContact CG-CG2 4.2Å; L263-V307 WeakPolarHBondContact O-CG2 3.45Å; L263-F309 HydrophobicContact CB-CE2 3.62Å; L263-F309 HydrophobicContact CB-CZ 3.71Å; L263-I316 HydrophobicContact CD1-CD1 4.37Å; L263-I316 HydrophobicContact CD2-CB 3.95Å; L263-I316 HydrophobicContact CD2-CD1 3.88Å; L263-I316 HydrophobicContact CD2-CG1 4.46Å; L263-I316 HydrophobicContact CD2-CG2 4.14Å
264	T	98.6	Very high	96.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.4	178	57.6	0	0	0	0	109.8	I226 H246 L250 L253 M262 A271 K272	I226-T264 HydrophobicContact CD1-CG2 3.79Å; I226-T264 HydrophobicContact CG1-CG2 4.16Å; H246-T264 PolarHBondContact NE2-OG1 2.83Å; L250-T264 HydrophobicContact CD2-CG2 3.89Å; L253-T264 HydrophobicContact CD2-CG2 3.5Å; M262-T264 HydrophobicContact CE-CG2 3.25Å; T264-A271 CarbonylContact O-C 3.51Å; T264-A271 WeakPolarHBondContact O-CA 3.46Å; T264-A271 WeakPolarHBondContact O-CB 3.48Å; T264-K272 PolarHBondContact N-O 3.42Å; T264-K272 PolarHBondContact O-N 3.3Å; T264-K272 WeakPolarHBondContact OG1-CB 3.04Å; T264-K272 PolarHBondContact OG1-O 3.15Å
265	G	98.3	Very high	96.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	164	166.3	0	0	0	0	0	111.8	L250 T251 C252	L250-G265 WeakPolarHBondContact CA-O 3Å; T251-G265 PolarHBondContact N-O 3.01Å; T251-G265 VanDerWaalsContact N-O 3.14Å; T251-G265 PolarHBondContact OG1-O 3.34Å; C252-G265 PolarHBondContact O-N 2.82Å
266	S	98	Very high	96.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	161.3	-178.4	175.5	0	0	0	0	111.4	H246 G248 A249 T251 D268 G269 V304	H246-S266 WeakPolarHBondContact ND1-CB 3.44Å; G248-S266 PolarHBondContact O-OG 3.13Å; A249-S266 VanDerWaalsContact O-CA 3.23Å; A249-S266 WeakPolarHBondContact O-CA 3.39Å; A249-S266 VanDerWaalsContact O-CB 3.24Å; A249-S266 WeakPolarHBondContact O-CB 3.48Å; A249-S266 PolarHBondContact O-OG 3.48Å; T251-S266 PolarHBondContact OG1-N 2.7Å; S266-D268 WeakPolarHBondContact CB-OD1 3.48Å; S266-D268 PolarHBondContact O-N 2.98Å; S266-D268 VanDerWaalsContact O-N 3.15Å; S266-D268 PolarHBondContact OG-N 2.81Å; S266-D268 PolarHBondContact OG-OD1 3.1Å; S266-G269 PolarHBondContact O-N 3.39Å; S266-V304 PolarHBondContact O-N 3Å; S266-V304 VanDerWaalsContact O-N 3.1Å
267	V	96.8	Very high	96.8	Very high	61 Å²	61	27.2 Å²	27.2	37%	0.37	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-8.3	166.5	-54.5	0	0	0	0	113.8	A249 T251 G269 S301 S303	A249-V267 HydrophobicContact CB-CG2 4.35Å; A249-V267 PolarHBondContact O-N 3.13Å; T251-V267 HydrophobicContact CG2-CG1 3.83Å; V267-G269 PolarHBondContact O-N 2.83Å; V267-S301 PolarHBondContact O-OG 2.72Å; V267-S303 WeakPolarHBondContact CA-OG 3.2Å
268	D	94.8	Very high	96.9	Very high	27 Å²	27	24.5 Å²	24.5	14%	0.144	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	12.8	174.6	83.1	-11	0	0	0	114.9	H246 Q247 S266 C270	H246-D268 WeakPolarHBondContact CA-OD2 3.24Å; H246-D268 WeakPolarHBondContact CB-OD2 3.2Å; H246-D268 IonicContact CE1-OD1 2.66Å; H246-D268 IonicContact CG-OD1 2.72Å; H246-D268 IonicContact CG-OD2 3.9Å; H246-D268 IonicContact ND1-OD1 3.16Å; H246-D268 PolarHBondContact ND1-OD1 2.6Å; H246-D268 IonicContact ND1-OD2 2.89Å; H246-D268 PolarHBondContact ND1-OD2 3.42Å; Q247-D268 HydrophobicContact CB-CB 4.23Å; Q247-D268 PolarHBondContact N-OD2 3.05Å; S266-D268 WeakPolarHBondContact CB-OD1 3.48Å; S266-D268 PolarHBondContact O-N 2.98Å; S266-D268 VanDerWaalsContact O-N 3.15Å; S266-D268 PolarHBondContact OG-N 2.81Å; S266-D268 PolarHBondContact OG-OD1 3.1Å; D268-C270 PolarHBondContact O-N 3.2Å; D268-C270 VanDerWaalsContact O-N 3.08Å; D268-C270 PolarHBondContact O-SG 3.28Å; D268-C270 VanDerWaalsContact O-SG 3.34Å; D268-C270 VanDerWaalsContact OD1-CB 3.3Å; D268-C270 WeakPolarHBondContact OD1-CB 3.47Å; D268-C270 PolarHBondContact OD1-N 3.09Å
269	G	95.1	Very high	97	Very high	8 Å²	8	20.1 Å²	20.1	8%	0.082	12%	0.124	C	C	.	.	S	Bend	trans	67.3	2.4	179.1	0	0	0	0	0	114.9	S266 V267 N302 Y320	S266-G269 PolarHBondContact O-N 3.39Å; V267-G269 PolarHBondContact O-N 2.83Å; G269-N302 WeakPolarHBondContact CA-O 3.33Å; G269-N302 PolarHBondContact N-O 2.97Å; G269-Y320 WeakPolarHBondContact O-CE1 3.3Å; G269-Y320 PolarHBondContact O-OH 2.98Å
270	C	96.6	Very high	97.1	Very high	22 Å²	22	26.6 Å²	26.6	15%	0.149	15%	0.152	C	C	.	.			trans	-110.5	142.8	-176.3	-57.8	0	0	0	0	111	H246 D268 V284 F285	H246-C270 PolarHBondContact CE1-O 3.28Å; D268-C270 PolarHBondContact O-N 3.2Å; D268-C270 VanDerWaalsContact O-N 3.08Å; D268-C270 PolarHBondContact O-SG 3.28Å; D268-C270 VanDerWaalsContact O-SG 3.34Å; D268-C270 VanDerWaalsContact OD1-CB 3.3Å; D268-C270 WeakPolarHBondContact OD1-CB 3.47Å; D268-C270 PolarHBondContact OD1-N 3.09Å; C270-V284 HydrophobicContact CB-CG1 4.19Å; C270-F285 CarbonylContact C-O 3.54Å; C270-F285 VanDerWaalsContact CA-O 3.31Å; C270-F285 WeakPolarHBondContact CA-O 3.36Å
271	A	98.1	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	138.1	161.4	0	0	0	0	0	110.2	L263 T264 V284 F285 V307 V318	L263-A271 HydrophobicContact CD1-CB 3.99Å; T264-A271 CarbonylContact O-C 3.51Å; T264-A271 WeakPolarHBondContact O-CA 3.46Å; T264-A271 WeakPolarHBondContact O-CB 3.48Å; A271-V284 CarbonylContact O-C 3.42Å; A271-V284 WeakPolarHBondContact O-CA 3.3Å; A271-F285 HydrophobicContact CB-CB 4.46Å; A271-F285 HydrophobicContact CB-CD2 4.28Å; A271-F285 PolarHBondContact N-O 3.02Å; A271-F285 PolarHBondContact O-N 3.13Å; A271-V307 HydrophobicContact CB-CG1 4.16Å; A271-V318 HydrophobicContact CB-CG1 3.82Å; A271-V318 HydrophobicContact CB-CG2 3.79Å
272	K	98.3	Very high	97.2	Very high	19 Å²	19	28.6 Å²	28.6	8%	0.083	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.7	-179.9	-66.3	-171.2	173	-164.7	0	112.3	Q243 G245 L263 T264 V281 V284	Q243-K272 PolarHBondContact O-NZ 3.18Å; G245-K272 PolarHBondContact O-NZ 3.19Å; L263-K272 WeakPolarHBondContact CA-O 3.47Å; T264-K272 PolarHBondContact N-O 3.42Å; T264-K272 PolarHBondContact O-N 3.3Å; T264-K272 WeakPolarHBondContact OG1-CB 3.04Å; T264-K272 PolarHBondContact OG1-O 3.15Å; K272-V281 HydrophobicContact CB-CG1 4.48Å; K272-V281 HydrophobicContact CD-CG1 4.5Å; K272-V284 HydrophobicContact CG-CG1 4.19Å; K272-V284 HydrophobicContact CG-CG2 4.19Å
273	L	98.5	Very high	97.2	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.8	172.1	-172.6	71.2	0	0	0	109	L261 M262 L263 V281 V282 G283 F285 F309 L330	L261-L273 HydrophobicContact CB-CD1 4.26Å; L261-L273 HydrophobicContact CD1-CD1 4.42Å; M262-L273 WeakPolarHBondContact O-CA 3.25Å; L263-L273 HydrophobicContact CD1-CB 4.46Å; L273-V281 WeakPolarHBondContact O-CA 3.36Å; L273-V282 HydrophobicContact CB-CG2 4.16Å; L273-V282 HydrophobicContact CD2-CG2 3.77Å; L273-V282 HydrophobicContact CG-CG2 3.7Å; L273-V282 VanDerWaalsContact O-CG2 3.32Å; L273-V282 WeakPolarHBondContact O-CG2 3.29Å; L273-V282 PolarHBondContact O-N 3.04Å; L273-G283 PolarHBondContact N-O 2.54Å; L273-G283 PolarHBondContact O-N 3.35Å; L273-F285 HydrophobicContact CB-CE2 3.87Å; L273-F285 HydrophobicContact CB-CZ 4.26Å; L273-F285 HydrophobicContact CD2-CZ 4.48Å; L273-F309 HydrophobicContact CD1-CE1 3.72Å; L273-F309 HydrophobicContact CD1-CZ 3.7Å; L273-L330 HydrophobicContact CD1-CD1 3.89Å; L273-L330 HydrophobicContact CD2-CD1 3.53Å; L273-L330 HydrophobicContact CG-CD1 4.4Å
274	V	98.3	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.1	-178.8	179.5	0	0	0	0	110.2	I226 L240 L261 M262 T276 K280 V281	I226-V274 HydrophobicContact CD1-CG2 4.38Å; L240-V274 HydrophobicContact CD1-CG1 4.45Å; L240-V274 HydrophobicContact CD2-CB 4.37Å; L240-V274 HydrophobicContact CD2-CG1 3.67Å; L240-V274 HydrophobicContact CD2-CG2 3.7Å; L261-V274 WeakPolarHBondContact CA-O 3.34Å; M262-V274 HydrophobicContact CG-CB 3.68Å; M262-V274 HydrophobicContact CG-CG1 4.36Å; M262-V274 WeakPolarHBondContact CG-O 3.47Å; M262-V274 PolarHBondContact N-O 3.22Å; M262-V274 PolarHBondContact O-N 2.86Å; M262-V274 HydrophobicContact SD-CB 3.95Å; M262-V274 HydrophobicContact SD-CG1 4.19Å; V274-T276 PolarHBondContact O-N 3.32Å; V274-K280 WeakPolarHBondContact CA-O 3.02Å; V274-V281 HydrophobicContact CG2-CG2 4.24Å
275	N	97.9	Very high	97	Very high	33 Å²	33	32.4 Å²	32.4	18%	0.176	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	107.3	170.6	179.4	-94.9	0	0	0	110	S260 L261 T277 T278 G279 K280 V282	S260-N275 WeakPolarHBondContact O-CA 3.45Å; S260-N275 PolarHBondContact O-ND2 3.15Å; S260-N275 VanDerWaalsContact O-ND2 3.08Å; L261-N275 HydrophobicContact CD2-CB 4.25Å; N275-T277 PolarHBondContact O-N 2.57Å; N275-T277 VanDerWaalsContact O-N 3.11Å; N275-T278 PolarHBondContact O-N 3.16Å; N275-T278 VanDerWaalsContact O-N 3.13Å; N275-T278 WeakPolarHBondContact OD1-CB 3.23Å; N275-T278 WeakPolarHBondContact OD1-CG2 3.22Å; N275-T278 PolarHBondContact OD1-N 2.62Å; N275-T278 PolarHBondContact OD1-OG1 3.49Å; N275-G279 PolarHBondContact O-N 2.88Å; N275-K280 PolarHBondContact N-O 3.28Å; N275-V282 HydrophobicContact CB-CG1 4.26Å
276	T	96	Very high	96.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.6	-171.4	64.5	0	0	0	0	113.6	L211 R216 H238 G259 S260 M262 V274	L211-T276 HydrophobicContact CD1-CG2 3.8Å; L211-T276 HydrophobicContact CD2-CG2 4.41Å; R216-T276 PolarHBondContact NH1-O 2.8Å; R216-T276 VanDerWaalsContact NH1-O 3.09Å; R216-T276 PolarHBondContact NH1-OG1 3.24Å; H238-T276 PolarHBondContact CD2-O 2.95Å; G259-T276 PolarHBondContact O-OG1 3.02Å; S260-T276 WeakPolarHBondContact CA-OG1 3.47Å; S260-T276 PolarHBondContact O-N 3.44Å; S260-T276 PolarHBondContact O-OG1 2.8Å; M262-T276 HydrophobicContact CB-CG2 3.79Å; M262-T276 HydrophobicContact CG-CG2 3.65Å; M262-T276 HydrophobicContact SD-CG2 4.08Å; V274-T276 PolarHBondContact O-N 3.32Å
277	T	95.8	Very high	96.3	Very high	89 Å²	89	35.4 Å²	35.4	55%	0.546	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-36.9	178.9	-57.2	0	0	0	0	111.9	H238 N275	H238-T277 PolarHBondContact NE2-O 2.67Å; N275-T277 PolarHBondContact O-N 2.57Å; N275-T277 VanDerWaalsContact O-N 3.11Å
278	T	96.8	Very high	95.2	Very high	76 Å²	76	37.4 Å²	37.4	47%	0.466	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-7.9	-174.5	61.3	0	0	0	0	114.9	N275 K280	N275-T278 PolarHBondContact O-N 3.16Å; N275-T278 VanDerWaalsContact O-N 3.13Å; N275-T278 WeakPolarHBondContact OD1-CB 3.23Å; N275-T278 WeakPolarHBondContact OD1-CG2 3.22Å; N275-T278 PolarHBondContact OD1-N 2.62Å; N275-T278 PolarHBondContact OD1-OG1 3.49Å; T278-K280 PolarHBondContact O-N 2.85Å
279	G	95.4	Very high	92.8	Very high	14 Å²	14	39.8 Å²	39.8	14%	0.144	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	12.2	179.6	0	0	0	0	0	114.1	H238 L240 N275	H238-G279 PolarHBondContact CE1-N 3.04Å; H238-G279 PolarHBondContact NE2-N 2.73Å; L240-G279 WeakPolarHBondContact CG-O 3.26Å; N275-G279 PolarHBondContact O-N 2.88Å
280	K	97.3	Very high	90.1	Very high	137 Å²	137	43 Å²	43	60%	0.596	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.9	-175.1	-65.7	-172.6	176.5	-171.5	0	111.6	V274 N275 T278 V282	V274-K280 WeakPolarHBondContact CA-O 3.02Å; N275-K280 PolarHBondContact N-O 3.28Å; T278-K280 PolarHBondContact O-N 2.85Å; K280-V282 HydrophobicContact CB-CG1 4.38Å; K280-V282 PolarHBondContact O-N 3.25Å
281	V	97.8	Very high	87.3	Confident	39 Å²	39	50.4 Å²	50.4	24%	0.236	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	128	156.6	-172.3	0	0	0	0	107.9	L240 D244 K272 L273 V274 G283 V284	L240-V281 HydrophobicContact CD2-CG2 3.81Å; D244-V281 HydrophobicContact CB-CG2 4.38Å; D244-V281 VanDerWaalsContact O-CG2 3.23Å; D244-V281 WeakPolarHBondContact O-CG2 3.46Å; K272-V281 HydrophobicContact CB-CG1 4.48Å; K272-V281 HydrophobicContact CD-CG1 4.5Å; L273-V281 WeakPolarHBondContact O-CA 3.36Å; V274-V281 HydrophobicContact CG2-CG2 4.24Å; V281-G283 WeakPolarHBondContact CG1-O 3.24Å; V281-V284 HydrophobicContact CG1-CG2 3.86Å
282	V	97.4	Very high	84.1	Confident	66 Å²	66	54.8 Å²	54.8	40%	0.4	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-11.1	-179.5	-70.4	0	0	0	0	112.8	L261 L273 N275 K280 Q333	L261-V282 HydrophobicContact CD2-CG2 4.26Å; L273-V282 HydrophobicContact CB-CG2 4.16Å; L273-V282 HydrophobicContact CD2-CG2 3.77Å; L273-V282 HydrophobicContact CG-CG2 3.7Å; L273-V282 VanDerWaalsContact O-CG2 3.32Å; L273-V282 WeakPolarHBondContact O-CG2 3.29Å; L273-V282 PolarHBondContact O-N 3.04Å; N275-V282 HydrophobicContact CB-CG1 4.26Å; K280-V282 HydrophobicContact CB-CG1 4.38Å; K280-V282 PolarHBondContact O-N 3.25Å; V282-Q333 PolarHBondContact O-NE2 3.5Å
283	G	96.9	Very high	81.3	Confident	5 Å²	5	64.1 Å²	64.1	5%	0.052	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	155.2	171.6	0	0	0	0	0	111.6	L273 V281 Q333	L273-G283 PolarHBondContact N-O 2.54Å; L273-G283 PolarHBondContact O-N 3.35Å; V281-G283 WeakPolarHBondContact CG1-O 3.24Å; G283-Q333 VanDerWaalsContact CA-OE1 3.23Å
284	V	97	Very high	78.5	Confident	75 Å²	75	67.2 Å²	67.2	46%	0.455	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.9	175.1	-173.4	0	0	0	0	107.6	C270 A271 K272 V281	C270-V284 HydrophobicContact CB-CG1 4.19Å; A271-V284 CarbonylContact O-C 3.42Å; A271-V284 WeakPolarHBondContact O-CA 3.3Å; K272-V284 HydrophobicContact CG-CG1 4.19Å; K272-V284 HydrophobicContact CG-CG2 4.19Å; V281-V284 HydrophobicContact CG1-CG2 3.86Å
285	F	96.6	Very high	75.6	Confident	3 Å²	3	70.7 Å²	70.7	1%	0.013	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.6	-176.6	-45.4	-77.3	0	0	0	109.8	L263 C270 A271 L273 I316 Y328 Q333	L263-F285 HydrophobicContact CD1-CD2 4.02Å; L263-F285 HydrophobicContact CD1-CE2 3.87Å; C270-F285 CarbonylContact C-O 3.54Å; C270-F285 VanDerWaalsContact CA-O 3.31Å; C270-F285 WeakPolarHBondContact CA-O 3.36Å; A271-F285 HydrophobicContact CB-CB 4.46Å; A271-F285 HydrophobicContact CB-CD2 4.28Å; A271-F285 PolarHBondContact N-O 3.02Å; A271-F285 PolarHBondContact O-N 3.13Å; L273-F285 HydrophobicContact CB-CE2 3.87Å; L273-F285 HydrophobicContact CB-CZ 4.26Å; L273-F285 HydrophobicContact CD2-CZ 4.48Å; F285-I316 HydrophobicContact CD1-CD1 4.33Å; F285-I316 HydrophobicContact CD2-CD1 3.71Å; F285-I316 HydrophobicContact CE1-CD1 3.92Å; F285-I316 HydrophobicContact CE2-CD1 3.21Å; F285-I316 HydrophobicContact CG-CD1 4.24Å; F285-I316 HydrophobicContact CZ-CD1 3.35Å; F285-Y328 HydrophobicContact CB-CD1 4.48Å; F285-Y328 HydrophobicContact CB-CD2 4.42Å; F285-Y328 HydrophobicContact CB-CE1 4.02Å; F285-Y328 HydrophobicContact CB-CE2 3.94Å; F285-Y328 AromaticContact CD1-CD1 3.64Å; F285-Y328 HydrophobicContact CD1-CD1 3.64Å; F285-Y328 HydrophobicContact CD1-CD2 4.33Å; F285-Y328 AromaticContact CD1-CE1 3.94Å; F285-Y328 HydrophobicContact CD1-CE1 3.94Å; F285-Y328 AromaticContact CD1-CG 3.86Å; F285-Y328 HydrophobicContact CD1-CG 3.86Å; F285-Y328 HydrophobicContact CE1-CD1 4.34Å; F285-Y328 HydrophobicContact CE1-CG 4.38Å; F285-Y328 HydrophobicContact CG-CD1 4.38Å; F285-Y328 HydrophobicContact CG-CD2 4.43Å; F285-Y328 HydrophobicContact CG-CE1 4.39Å; F285-Y328 HydrophobicContact CG-CE2 4.44Å; F285-Y328 HydrophobicContact CG-CG 4.41Å; F285-Q333 HydrophobicContact CE1-CB 3.82Å; F285-Q333 HydrophobicContact CE1-CG 3.92Å; F285-Q333 HydrophobicContact CZ-CG 4.27Å
286	S	93.8	Very high	72.9	Confident	47 Å²	47	78.7 Å²	78.7	33%	0.329	48%	0.475	S	S	.	.			trans	-144.6	143	170.6	45.6	0	0	0	0	107.6	E288 Y328	S286-E288 VanDerWaalsContact C-N 3.31Å; S286-E288 PolarHBondContact OG-O 3.09Å; S286-Y328 PolarHBondContact O-OH 3.13Å
287	V	86.3	Confident	70.4	Confident	16 Å²	16	85 Å²	85	10%	0.097	51%	0.508	C	S	.	.	S	Bend	trans	-79.9	-18.3	176.3	-71.3	0	0	0	0	112.5	Y320 T324 A326 R338	V287-Y320 HydrophobicContact CB-CE2 4.27Å; V287-Y320 HydrophobicContact CG1-CD2 4.04Å; V287-Y320 HydrophobicContact CG1-CE2 3.35Å; V287-Y320 HydrophobicContact CG2-CD1 4.19Å; V287-Y320 HydrophobicContact CG2-CD2 4.31Å; V287-Y320 HydrophobicContact CG2-CE1 3.82Å; V287-Y320 HydrophobicContact CG2-CE2 3.98Å; V287-Y320 HydrophobicContact CG2-CG 4.41Å; V287-Y320 PolarHBondContact N-OH 3.04Å; V287-T324 HydrophobicContact CB-CG2 4.46Å; V287-T324 HydrophobicContact CG1-CG2 3.77Å; V287-A326 HydrophobicContact CG1-CB 3.44Å; V287-A326 VanDerWaalsContact CG1-CB 3.44Å; V287-R338 PolarHBondContact O-NH2 3.23Å
288	E	73.8	Confident	68.2	Low	104 Å²	104	90.2 Å²	90.2	49%	0.486	53%	0.527	S	S	.	.	S	Bend	trans	-82.1	135.3	168.7	-71.9	162.7	-150	0	0	110.9	S286 G290	S286-E288 VanDerWaalsContact C-N 3.31Å; S286-E288 PolarHBondContact OG-O 3.09Å; E288-G290 PolarHBondContact O-N 3.11Å
289	G	45.4	Very low	66	Low	77 Å²	77	92.7 Å²	92.7	79%	0.794	53%	0.533	S	S	*	.			trans	-67.5	125	174.7	0	0	0	0	0	111.1	K291	G289-K291 PolarHBondContact O-N 3.46Å; G289-K291 VanDerWaalsContact O-N 3.17Å
290	G	38.5	Very low	64.1	Low	76 Å²	76	101 Å²	101	78%	0.784	57%	0.568	S	S	*	*	S	Bend	trans	-41.8	112.3	-166	0	0	0	0	0	117.1	E288 A292	E288-G290 PolarHBondContact O-N 3.11Å; G290-A292 PolarHBondContact O-N 2.94Å
291	K	38.1	Very low	62.7	Low	177 Å²	177	99 Å²	99	77%	0.77	57%	0.571	S	S	*	*			trans	4.4	96	169.7	-57.4	-166.3	-179.4	-166.6	0	116.7	G289 K293	G289-K291 PolarHBondContact O-N 3.46Å; G289-K291 VanDerWaalsContact O-N 3.17Å; K291-K293 PolarHBondContact O-N 3.14Å
292	A	31.4	Very low	62.3	Low	91 Å²	91	97.9 Å²	97.9	75%	0.752	56%	0.564	S	S	*	*			trans	-70.2	107.5	152	0	0	0	0	0	108.9	G290 G294	G290-A292 PolarHBondContact O-N 2.94Å; A292-G294 PolarHBondContact O-N 3.26Å
293	K	38.9	Very low	62.2	Low	215 Å²	215	95.2 Å²	95.2	94%	0.935	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	101.7	172.7	-74.7	-174.8	173.5	-174.8	0	110	K291	K291-K293 PolarHBondContact O-N 3.14Å
294	G	40	Very low	62.3	Low	71 Å²	71	95 Å²	95	73%	0.732	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	174	-25.6	173	0	0	0	0	0	119	A292	A292-G294 PolarHBondContact O-N 3.26Å
295	S	37.5	Very low	62.3	Low	73 Å²	73	93.9 Å²	93.9	51%	0.51	54%	0.536	S	S	.	.			trans	-66.8	152.2	172.7	41.9	0	0	0	0	110.9	E299	S295-E299 WeakPolarHBondContact CB-OE1 3.3Å; S295-E299 PolarHBondContact OG-OE1 3.48Å
296	K	41.4	Very low	62.4	Low	200 Å²	200	94 Å²	94	87%	0.87	54%	0.537	S	S	*	.			trans	-139.1	19.2	-172.3	-145.5	-162.4	-179.8	-155.2	0	112.3
297	D	42.2	Very low	62.7	Low	133 Å²	133	92.3 Å²	92.3	71%	0.711	52%	0.524	S	S	*	.	S	Bend	trans	-97	149.4	172.6	-50.9	-68.9	0	0	0	106.7	E299	D297-E299 PolarHBondContact O-N 2.96Å
298	E	49.3	Very low	63.2	Low	200 Å²	200	91.8 Å²	91.8	94%	0.935	52%	0.523	S	S	*	.			trans	-81.4	72.5	-177.2	-67.7	175.3	166.8	0	0	109.2	E300	E298-E300 PolarHBondContact O-N 2.6Å
299	E	51.5	Low	64.4	Low	127 Å²	127	87.6 Å²	87.6	59%	0.593	50%	0.503	S	S	*	.			trans	-57.4	123.2	174.5	-68.6	170.7	-143.1	0	0	109.6	S295 D297 S301	S295-E299 WeakPolarHBondContact CB-OE1 3.3Å; S295-E299 PolarHBondContact OG-OE1 3.48Å; D297-E299 PolarHBondContact O-N 2.96Å; E299-S301 PolarHBondContact O-N 3.42Å; E299-S301 VanDerWaalsContact O-N 3.07Å
300	E	55.3	Low	66.9	Low	190 Å²	190	84.5 Å²	84.5	89%	0.888	47%	0.469	S	S	*	.			trans	-60.4	110.9	-177.3	-66.9	178.4	145.2	0	0	110.3	E298 N302	E298-E300 PolarHBondContact O-N 2.6Å; E300-N302 PolarHBondContact O-N 3.13Å
301	S	67.6	Low	69.6	Low	93 Å²	93	83.5 Å²	83.5	65%	0.65	45%	0.446	S	S	*	.			trans	-68.4	101.9	-175.6	-173.1	0	0	0	0	110.4	V267 E299 S303	V267-S301 PolarHBondContact O-OG 2.72Å; E299-S301 PolarHBondContact O-N 3.42Å; E299-S301 VanDerWaalsContact O-N 3.07Å; S301-S303 PolarHBondContact O-N 3.23Å
302	N	89.5	Confident	72.3	Confident	16 Å²	16	79.4 Å²	79.4	9%	0.086	43%	0.431	C	S	.	.			trans	-60	137.3	175.7	-169.9	6.7	0	0	0	110.3	G269 E300 Y320 L321 D322	G269-N302 WeakPolarHBondContact CA-O 3.33Å; G269-N302 PolarHBondContact N-O 2.97Å; E300-N302 PolarHBondContact O-N 3.13Å; N302-Y320 WeakPolarHBondContact ND2-CD1 3.4Å; N302-L321 PolarHBondContact OD1-N 3.15Å; N302-D322 PolarHBondContact ND2-OD1 3.37Å; N302-D322 PolarHBondContact ND2-OD2 3.45Å; N302-D322 PolarHBondContact OD1-N 2.87Å
303	S	95.4	Very high	75.4	Confident	10 Å²	10	78 Å²	78	7%	0.07	41%	0.411	C	S	.	.			trans	-111	145.5	-177	177.8	0	0	0	0	110.8	V267 S301 E305 Y320 L321	V267-S303 WeakPolarHBondContact CA-OG 3.2Å; S301-S303 PolarHBondContact O-N 3.23Å; S303-E305 WeakPolarHBondContact CB-OE1 3.41Å; S303-E305 PolarHBondContact OG-OE1 3.36Å; S303-Y320 VanDerWaalsContact O-CA 3.27Å; S303-Y320 WeakPolarHBondContact O-CA 3.38Å; S303-Y320 WeakPolarHBondContact O-CD1 3.42Å; S303-L321 PolarHBondContact O-N 2.96Å
304	V	98.3	Very high	78.2	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	104.2	174.9	176.7	0	0	0	0	108.7	T251 S266 V307 V318 A319 Y320	T251-V304 WeakPolarHBondContact CB-O 3.43Å; T251-V304 PolarHBondContact OG1-O 3.2Å; S266-V304 PolarHBondContact O-N 3Å; S266-V304 VanDerWaalsContact O-N 3.1Å; V304-V307 HydrophobicContact CG1-CG1 3.59Å; V304-V318 HydrophobicContact CB-CG1 4.34Å; V304-V318 HydrophobicContact CG1-CG1 3.5Å; V304-V318 HydrophobicContact CG2-CG1 3.86Å; V304-A319 CarbonylContact C-O 3.55Å; V304-A319 WeakPolarHBondContact CA-O 3.31Å; V304-Y320 HydrophobicContact CG2-CD1 3.87Å; V304-Y320 HydrophobicContact CG2-CE1 3.37Å
305	E	98	Very high	81	Confident	52 Å²	52	67.5 Å²	67.5	24%	0.243	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-31.3	-178.9	-58.2	-45.3	125.2	0	0	112.9	C252 S303 A319 L321 I345	C252-E305 VanDerWaalsContact CB-O 3.24Å; C252-E305 WeakPolarHBondContact CB-O 3.43Å; C252-E305 VanDerWaalsContact SG-C 3.59Å; C252-E305 PolarHBondContact SG-O 3.34Å; C252-E305 VanDerWaalsContact SG-O 3.39Å; S303-E305 WeakPolarHBondContact CB-OE1 3.41Å; S303-E305 PolarHBondContact OG-OE1 3.36Å; E305-A319 PolarHBondContact N-O 2.91Å; E305-L321 HydrophobicContact CG-CB 4.03Å; E305-L321 HydrophobicContact CG-CD1 4.17Å; E305-I345 VanDerWaalsContact CB-O 3.25Å; E305-I345 WeakPolarHBondContact CB-O 3.46Å; E305-I345 WeakPolarHBondContact CG-O 3.32Å
306	S	98.6	Very high	83.9	Confident	7 Å²	7	64 Å²	64	5%	0.049	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	151.1	-178.3	-149.6	0	0	0	0	114.4	C252 A319 H347 L348	C252-S306 VanDerWaalsContact SG-CA 3.57Å; S306-A319 PolarHBondContact N-O 2.97Å; S306-A319 PolarHBondContact O-N 3.36Å; S306-H347 PolarHBondContact OG-CD2 2.84Å; S306-L348 WeakPolarHBondContact O-CD2 3.49Å; S306-L348 PolarHBondContact OG-N 2.83Å; S306-L348 VanDerWaalsContact OG-N 3.11Å
307	V	98.8	Very high	86.6	Confident	10 Å²	10	54.5 Å²	54.5	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.5	-176.6	-68.7	0	0	0	0	111.1	C252 A254 L263 A271 V304 A317 V318	C252-V307 HydrophobicContact CB-CG2 4.36Å; A254-V307 HydrophobicContact CB-CG2 4.02Å; A254-V307 WeakPolarHBondContact CB-O 3.43Å; L263-V307 HydrophobicContact CB-CB 4.46Å; L263-V307 HydrophobicContact CB-CG2 4.4Å; L263-V307 HydrophobicContact CD2-CB 3.83Å; L263-V307 HydrophobicContact CD2-CG1 4.26Å; L263-V307 HydrophobicContact CG-CB 3.82Å; L263-V307 HydrophobicContact CG-CG1 4.08Å; L263-V307 HydrophobicContact CG-CG2 4.2Å; L263-V307 WeakPolarHBondContact O-CG2 3.45Å; A271-V307 HydrophobicContact CB-CG1 4.16Å; V304-V307 HydrophobicContact CG1-CG1 3.59Å; V307-A317 WeakPolarHBondContact CA-O 3.33Å; V307-V318 HydrophobicContact CG1-CG1 4.18Å; V307-V318 HydrophobicContact CG1-CG2 4.45Å
308	G	98.4	Very high	89.3	Confident	6 Å²	6	48.1 Å²	48.1	6%	0.062	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	163.6	176.6	0	0	0	0	0	115.6	I316 A317 W350	G308-I316 CarbonylContact O-C 3.55Å; G308-I316 VanDerWaalsContact O-CA 3.24Å; G308-I316 WeakPolarHBondContact O-CA 3.47Å; G308-I316 WeakPolarHBondContact O-CB 3.31Å; G308-A317 PolarHBondContact N-O 3.4Å; G308-A317 PolarHBondContact O-N 3.26Å; G308-W350 PolarHBondContact O-NE1 2.89Å; G308-W350 VanDerWaalsContact O-NE1 3.15Å
309	F	98.6	Very high	91.6	Very high	16 Å²	16	38.6 Å²	38.6	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.5	179.2	-65.2	-95	0	0	0	111.1	A254 C255 N256 L261 L263 L273 I316 L330	A254-F309 HydrophobicContact CB-CD2 4.18Å; A254-F309 HydrophobicContact CB-CE2 4.25Å; C255-F309 VanDerWaalsContact C-CD2 3.46Å; C255-F309 WeakPolarHBondContact O-CD2 3.07Å; N256-F309 HydrophobicContact CB-CD1 3.83Å; N256-F309 HydrophobicContact CB-CD2 4.14Å; N256-F309 HydrophobicContact CB-CE1 4Å; N256-F309 HydrophobicContact CB-CE2 4.3Å; N256-F309 HydrophobicContact CB-CG 3.91Å; N256-F309 HydrophobicContact CB-CZ 4.23Å; L261-F309 HydrophobicContact CB-CE1 4.2Å; L261-F309 HydrophobicContact CB-CZ 4.13Å; L263-F309 HydrophobicContact CB-CE2 3.62Å; L263-F309 HydrophobicContact CB-CZ 3.71Å; L273-F309 HydrophobicContact CD1-CE1 3.72Å; L273-F309 HydrophobicContact CD1-CZ 3.7Å; F309-I316 HydrophobicContact CD1-CG2 3.47Å; F309-I316 VanDerWaalsContact CD1-CG2 3.47Å; F309-I316 HydrophobicContact CE1-CG2 3.77Å; F309-I316 HydrophobicContact CG-CG2 4.11Å; F309-L330 HydrophobicContact CD1-CD2 4.2Å; F309-L330 HydrophobicContact CE1-CD1 4.19Å; F309-L330 HydrophobicContact CE1-CD2 4.33Å
310	C	97.9	Very high	93.9	Very high	12 Å²	12	32.6 Å²	32.6	8%	0.081	18%	0.179	C	C	.	.			trans	-71.6	134.1	166.8	-176.3	0	0	0	0	110.4	L315 W350	C310-L315 HydrophobicContact CB-CB 3.85Å; C310-L315 PolarHBondContact N-O 3.02Å; C310-W350 HydrophobicContact CB-CD2 3.95Å; C310-W350 HydrophobicContact CB-CE3 3.6Å; C310-W350 HydrophobicContact CB-CH2 3.69Å; C310-W350 HydrophobicContact CB-CZ2 4.05Å; C310-W350 HydrophobicContact CB-CZ3 3.47Å; C310-W350 VanDerWaalsContact CB-CZ3 3.47Å
311	N	94.3	Very high	95.8	Very high	54 Å²	54	27.6 Å²	27.6	29%	0.289	16%	0.158	S	C	.	.	S	Bend	trans	-77.6	-20.7	-178.3	-81.6	-57.3	0	0	0	114.6	E352	N311-E352 WeakPolarHBondContact CB-O 3.23Å; N311-E352 PolarHBondContact ND2-OE2 2.71Å
312	I	95.6	Very high	97.1	Very high	92 Å²	92	26.4 Å²	26.4	47%	0.472	14%	0.144	S	C	.	.	S	Bend	trans	-116.2	-12.2	-173.9	63.9	145.6	0	0	0	115.2
313	L	96.8	Very high	97.4	Very high	62 Å²	62	25.7 Å²	25.7	33%	0.325	14%	0.14	S	C	.	.	S	Bend	trans	-134.6	154.5	-179.5	-67.6	177.5	0	0	0	109.8	L315 R372	L313-L315 HydrophobicContact CB-CD1 4.09Å; L313-L315 HydrophobicContact CB-CG 3.95Å; L313-L315 HydrophobicContact CD1-CD1 3.93Å; L313-L315 PolarHBondContact O-N 2.95Å; L313-R372 HydrophobicContact CD1-CG 3.81Å
314	P	96.9	Very high	97.5	Very high	62 Å²	62	25.2 Å²	25.2	40%	0.403	14%	0.137	S	C	.	.	S	Bend	trans	-75.4	63.5	173.9	34.1	-36.7	0	0	0	110.7	L330	P314-L330 HydrophobicContact CB-CB 4.27Å; P314-L330 WeakPolarHBondContact O-CB 3.41Å; P314-L330 PolarHBondContact O-N 2.81Å
315	L	98.3	Very high	97.6	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	149.9	178.4	-60.9	178.4	0	0	0	110.3	C310 L313 Y328 W350 A371	C310-L315 HydrophobicContact CB-CB 3.85Å; C310-L315 PolarHBondContact N-O 3.02Å; L313-L315 HydrophobicContact CB-CD1 4.09Å; L313-L315 HydrophobicContact CB-CG 3.95Å; L313-L315 HydrophobicContact CD1-CD1 3.93Å; L313-L315 PolarHBondContact O-N 2.95Å; L315-Y328 WeakPolarHBondContact CA-O 3.37Å; L315-W350 HydrophobicContact CB-CH2 3.96Å; L315-W350 HydrophobicContact CB-CZ2 4.42Å; L315-W350 HydrophobicContact CD1-CH2 4.39Å; L315-A371 HydrophobicContact CD1-CB 3.88Å
316	I	98.7	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	155.7	165.3	58.3	170.3	0	0	0	109.7	L263 F285 G308 F309 I327 Y328 L330	L263-I316 HydrophobicContact CD1-CD1 4.37Å; L263-I316 HydrophobicContact CD2-CB 3.95Å; L263-I316 HydrophobicContact CD2-CD1 3.88Å; L263-I316 HydrophobicContact CD2-CG1 4.46Å; L263-I316 HydrophobicContact CD2-CG2 4.14Å; F285-I316 HydrophobicContact CD1-CD1 4.33Å; F285-I316 HydrophobicContact CD2-CD1 3.71Å; F285-I316 HydrophobicContact CE1-CD1 3.92Å; F285-I316 HydrophobicContact CE2-CD1 3.21Å; F285-I316 HydrophobicContact CG-CD1 4.24Å; F285-I316 HydrophobicContact CZ-CD1 3.35Å; G308-I316 CarbonylContact O-C 3.55Å; G308-I316 VanDerWaalsContact O-CA 3.24Å; G308-I316 WeakPolarHBondContact O-CA 3.47Å; G308-I316 WeakPolarHBondContact O-CB 3.31Å; F309-I316 HydrophobicContact CD1-CG2 3.47Å; F309-I316 VanDerWaalsContact CD1-CG2 3.47Å; F309-I316 HydrophobicContact CE1-CG2 3.77Å; F309-I316 HydrophobicContact CG-CG2 4.11Å; I316-I327 WeakPolarHBondContact O-CA 3.23Å; I316-Y328 HydrophobicContact CG1-CD2 4.49Å; I316-Y328 PolarHBondContact N-O 3.08Å; I316-Y328 PolarHBondContact O-N 3.34Å; I316-L330 HydrophobicContact CG2-CB 4.5Å; I316-L330 HydrophobicContact CG2-CD1 3.94Å
317	A	98.7	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.7	169.1	0	0	0	0	0	109.6	V307 G308 L325 A326 L348 W350 V357	V307-A317 WeakPolarHBondContact CA-O 3.33Å; G308-A317 PolarHBondContact N-O 3.4Å; G308-A317 PolarHBondContact O-N 3.26Å; A317-L325 HydrophobicContact CB-CD1 4.04Å; A317-A326 WeakPolarHBondContact CA-O 3.24Å; A317-L348 HydrophobicContact CB-CD1 4.12Å; A317-L348 HydrophobicContact CB-CD2 3.81Å; A317-W350 HydrophobicContact CB-CZ2 3.66Å; A317-V357 HydrophobicContact CB-CG2 4.33Å
318	V	98.8	Very high	97.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	119.7	170	-173	0	0	0	0	106	A271 V304 V307 Y320 A326 Y328	A271-V318 HydrophobicContact CB-CG1 3.82Å; A271-V318 HydrophobicContact CB-CG2 3.79Å; V304-V318 HydrophobicContact CB-CG1 4.34Å; V304-V318 HydrophobicContact CG1-CG1 3.5Å; V304-V318 HydrophobicContact CG2-CG1 3.86Å; V307-V318 HydrophobicContact CG1-CG1 4.18Å; V307-V318 HydrophobicContact CG1-CG2 4.45Å; V318-Y320 HydrophobicContact CB-CE2 3.85Å; V318-Y320 HydrophobicContact CG1-CD2 4.1Å; V318-Y320 HydrophobicContact CG1-CE1 4.44Å; V318-Y320 HydrophobicContact CG1-CE2 3.38Å; V318-A326 PolarHBondContact N-O 2.98Å; V318-A326 PolarHBondContact O-N 2.93Å; V318-Y328 HydrophobicContact CB-CE2 4.33Å; V318-Y328 HydrophobicContact CG2-CD2 4.21Å; V318-Y328 HydrophobicContact CG2-CE2 3.98Å
319	A	98.6	Very high	97.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	144.5	178.7	0	0	0	0	0	110	V304 E305 S306 L325 I345 L348	V304-A319 CarbonylContact C-O 3.55Å; V304-A319 WeakPolarHBondContact CA-O 3.31Å; E305-A319 PolarHBondContact N-O 2.91Å; S306-A319 PolarHBondContact N-O 2.97Å; S306-A319 PolarHBondContact O-N 3.36Å; A319-L325 HydrophobicContact CB-CD1 4.39Å; A319-I345 HydrophobicContact CB-CB 3.96Å; A319-I345 HydrophobicContact CB-CD1 4.04Å; A319-I345 HydrophobicContact CB-CG2 3.71Å; A319-L348 HydrophobicContact CB-CB 4.46Å; A319-L348 HydrophobicContact CB-CD2 3.68Å
320	Y	98.1	Very high	97.5	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154.4	-167.1	-72.5	-92.8	0	0	0	112.7	G269 V287 N302 S303 V304 V318 D322 G323 T324 A326 I345	G269-Y320 WeakPolarHBondContact O-CE1 3.3Å; G269-Y320 PolarHBondContact O-OH 2.98Å; V287-Y320 HydrophobicContact CB-CE2 4.27Å; V287-Y320 HydrophobicContact CG1-CD2 4.04Å; V287-Y320 HydrophobicContact CG1-CE2 3.35Å; V287-Y320 HydrophobicContact CG2-CD1 4.19Å; V287-Y320 HydrophobicContact CG2-CD2 4.31Å; V287-Y320 HydrophobicContact CG2-CE1 3.82Å; V287-Y320 HydrophobicContact CG2-CE2 3.98Å; V287-Y320 HydrophobicContact CG2-CG 4.41Å; V287-Y320 PolarHBondContact N-OH 3.04Å; N302-Y320 WeakPolarHBondContact ND2-CD1 3.4Å; S303-Y320 VanDerWaalsContact O-CA 3.27Å; S303-Y320 WeakPolarHBondContact O-CA 3.38Å; S303-Y320 WeakPolarHBondContact O-CD1 3.42Å; V304-Y320 HydrophobicContact CG2-CD1 3.87Å; V304-Y320 HydrophobicContact CG2-CE1 3.37Å; V318-Y320 HydrophobicContact CB-CE2 3.85Å; V318-Y320 HydrophobicContact CG1-CD2 4.1Å; V318-Y320 HydrophobicContact CG1-CE1 4.44Å; V318-Y320 HydrophobicContact CG1-CE2 3.38Å; Y320-D322 VanDerWaalsContact C-N 3.25Å; Y320-D322 WeakPolarHBondContact CB-OD1 3.41Å; Y320-D322 PolarHBondContact O-N 2.9Å; Y320-G323 PolarHBondContact O-N 3.05Å; Y320-G323 VanDerWaalsContact O-N 3.1Å; Y320-T324 WeakPolarHBondContact CB-O 3.36Å; Y320-T324 HydrophobicContact CD2-CG2 4.08Å; Y320-T324 WeakPolarHBondContact CD2-O 3.17Å; Y320-T324 PolarHBondContact N-O 2.86Å; Y320-A326 HydrophobicContact CE2-CB 4.02Å; Y320-I345 PolarHBondContact O-N 3.15Å; Y320-I345 VanDerWaalsContact O-N 3.15Å
321	L	96.4	Very high	97.4	Very high	85 Å²	85	28.1 Å²	28.1	45%	0.445	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.2	178.7	-167.4	60.3	0	0	0	113	N302 S303 E305 G323 G344 L362	N302-L321 PolarHBondContact OD1-N 3.15Å; S303-L321 PolarHBondContact O-N 2.96Å; E305-L321 HydrophobicContact CG-CB 4.03Å; E305-L321 HydrophobicContact CG-CD1 4.17Å; L321-G323 PolarHBondContact O-N 2.9Å; L321-G344 WeakPolarHBondContact O-CA 2.94Å; L321-L362 HydrophobicContact CD1-CD1 4.18Å
322	D	94.9	Very high	97.5	Very high	68 Å²	68	29.9 Å²	29.9	36%	0.364	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	3	169.1	80.5	-36.1	0	0	0	114.5	N302 Y320 T324 Q340	N302-D322 PolarHBondContact ND2-OD1 3.37Å; N302-D322 PolarHBondContact ND2-OD2 3.45Å; N302-D322 PolarHBondContact OD1-N 2.87Å; Y320-D322 VanDerWaalsContact C-N 3.25Å; Y320-D322 WeakPolarHBondContact CB-OD1 3.41Å; Y320-D322 PolarHBondContact O-N 2.9Å; D322-T324 VanDerWaalsContact C-N 3.29Å; D322-T324 PolarHBondContact O-N 2.53Å; D322-T324 WeakPolarHBondContact OD1-CB 3.44Å; D322-T324 PolarHBondContact OD1-N 3.4Å; D322-T324 PolarHBondContact OD1-OG1 3.3Å; D322-T324 PolarHBondContact OD2-OG1 3.25Å; D322-Q340 PolarHBondContact O-NE2 3.47Å
323	G	96.2	Very high	97.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	81.5	2.1	-175.1	0	0	0	0	0	114.1	Y320 L321 L325 H341 A343	Y320-G323 PolarHBondContact O-N 3.05Å; Y320-G323 VanDerWaalsContact O-N 3.1Å; L321-G323 PolarHBondContact O-N 2.9Å; G323-L325 PolarHBondContact O-N 3.17Å; G323-H341 WeakPolarHBondContact O-CB 3.31Å; G323-H341 PolarHBondContact O-N 3.27Å; G323-A343 WeakPolarHBondContact CA-O 3.24Å
324	T	97.6	Very high	97.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.3	174.3	-70.6	0	0	0	0	110.7	V287 Y320 D322 A326 R338	V287-T324 HydrophobicContact CB-CG2 4.46Å; V287-T324 HydrophobicContact CG1-CG2 3.77Å; Y320-T324 WeakPolarHBondContact CB-O 3.36Å; Y320-T324 HydrophobicContact CD2-CG2 4.08Å; Y320-T324 WeakPolarHBondContact CD2-O 3.17Å; Y320-T324 PolarHBondContact N-O 2.86Å; D322-T324 VanDerWaalsContact C-N 3.29Å; D322-T324 PolarHBondContact O-N 2.53Å; D322-T324 WeakPolarHBondContact OD1-CB 3.44Å; D322-T324 PolarHBondContact OD1-N 3.4Å; D322-T324 PolarHBondContact OD1-OG1 3.3Å; D322-T324 PolarHBondContact OD2-OG1 3.25Å; T324-A326 HydrophobicContact CG2-CB 4.07Å; T324-R338 HydrophobicContact CG2-CG 3.66Å; T324-R338 PolarHBondContact OG1-NH1 3.35Å; T324-R338 VanDerWaalsContact OG1-NH1 3.13Å
325	L	98.5	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	110.5	158.7	174.4	65.2	0	0	0	109.2	A317 A319 G323 I327 C339 I345 V357 T359 W369	A317-L325 HydrophobicContact CB-CD1 4.04Å; A319-L325 HydrophobicContact CB-CD1 4.39Å; G323-L325 PolarHBondContact O-N 3.17Å; L325-I327 HydrophobicContact CD2-CD1 4.48Å; L325-I327 HydrophobicContact CG-CG1 4.32Å; L325-C339 HydrophobicContact CB-CB 4.1Å; L325-C339 HydrophobicContact CD2-CB 4.33Å; L325-C339 PolarHBondContact N-O 3.3Å; L325-C339 PolarHBondContact O-N 3.37Å; L325-I345 HydrophobicContact CB-CD1 3.69Å; L325-V357 HydrophobicContact CD2-CG1 3.99Å; L325-T359 HydrophobicContact CD1-CG2 4.11Å; L325-T359 HydrophobicContact CD2-CG2 4.09Å; L325-W369 HydrophobicContact CD2-CB 4.16Å; L325-W369 VanDerWaalsContact CD2-CD1 3.44Å; L325-W369 HydrophobicContact CD2-CD2 4.12Å; L325-W369 HydrophobicContact CD2-CG 3.67Å
326	A	98.4	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.3	-178.3	0	0	0	0	0	111.7	V287 A317 V318 Y320 T324 Y328 L335	V287-A326 HydrophobicContact CG1-CB 3.44Å; V287-A326 VanDerWaalsContact CG1-CB 3.44Å; A317-A326 WeakPolarHBondContact CA-O 3.24Å; V318-A326 PolarHBondContact N-O 2.98Å; V318-A326 PolarHBondContact O-N 2.93Å; Y320-A326 HydrophobicContact CE2-CB 4.02Å; T324-A326 HydrophobicContact CG2-CB 4.07Å; A326-Y328 HydrophobicContact CB-CD2 4.38Å; A326-Y328 HydrophobicContact CB-CE2 3.54Å; A326-L335 HydrophobicContact CB-CD1 3.85Å
327	I	98.6	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.4	-175.7	-54.1	-178.1	0	0	0	108.9	I316 L325 R336 H337 V357 A371	I316-I327 WeakPolarHBondContact O-CA 3.23Å; L325-I327 HydrophobicContact CD2-CD1 4.48Å; L325-I327 HydrophobicContact CG-CG1 4.32Å; I327-R336 WeakPolarHBondContact O-CA 3.43Å; I327-R336 WeakPolarHBondContact O-CB 3.26Å; I327-R336 PolarHBondContact O-N 2.86Å; I327-H337 HydrophobicContact CB-CB 4.25Å; I327-H337 PolarHBondContact N-O 2.89Å; I327-H337 PolarHBondContact O-N 3.19Å; I327-V357 HydrophobicContact CD1-CG1 4.42Å; I327-A371 HydrophobicContact CD1-CB 3.81Å; I327-A371 HydrophobicContact CG2-CB 3.98Å
328	Y	98.6	Very high	97.4	Very high	9 Å²	9	43.9 Å²	43.9	4%	0.035	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	148.9	-177	-59.3	-102.3	0	0	0	111.6	F285 S286 L315 I316 V318 A326 V334 L335	F285-Y328 HydrophobicContact CB-CD1 4.48Å; F285-Y328 HydrophobicContact CB-CD2 4.42Å; F285-Y328 HydrophobicContact CB-CE1 4.02Å; F285-Y328 HydrophobicContact CB-CE2 3.94Å; F285-Y328 AromaticContact CD1-CD1 3.64Å; F285-Y328 HydrophobicContact CD1-CD1 3.64Å; F285-Y328 HydrophobicContact CD1-CD2 4.33Å; F285-Y328 AromaticContact CD1-CE1 3.94Å; F285-Y328 HydrophobicContact CD1-CE1 3.94Å; F285-Y328 AromaticContact CD1-CG 3.86Å; F285-Y328 HydrophobicContact CD1-CG 3.86Å; F285-Y328 HydrophobicContact CE1-CD1 4.34Å; F285-Y328 HydrophobicContact CE1-CG 4.38Å; F285-Y328 HydrophobicContact CG-CD1 4.38Å; F285-Y328 HydrophobicContact CG-CD2 4.43Å; F285-Y328 HydrophobicContact CG-CE1 4.39Å; F285-Y328 HydrophobicContact CG-CE2 4.44Å; F285-Y328 HydrophobicContact CG-CG 4.41Å; S286-Y328 PolarHBondContact O-OH 3.13Å; L315-Y328 WeakPolarHBondContact CA-O 3.37Å; I316-Y328 HydrophobicContact CG1-CD2 4.49Å; I316-Y328 PolarHBondContact N-O 3.08Å; I316-Y328 PolarHBondContact O-N 3.34Å; V318-Y328 HydrophobicContact CB-CE2 4.33Å; V318-Y328 HydrophobicContact CG2-CD2 4.21Å; V318-Y328 HydrophobicContact CG2-CE2 3.98Å; A326-Y328 HydrophobicContact CB-CD2 4.38Å; A326-Y328 HydrophobicContact CB-CE2 3.54Å; Y328-V334 WeakPolarHBondContact CA-O 3.42Å; Y328-L335 HydrophobicContact CD1-CB 3.91Å; Y328-L335 HydrophobicContact CD1-CD1 4.19Å; Y328-L335 HydrophobicContact CD2-CD1 4.35Å; Y328-L335 HydrophobicContact CE1-CB 3.73Å; Y328-L335 HydrophobicContact CE1-CD1 3.85Å; Y328-L335 HydrophobicContact CE1-CG 4.36Å; Y328-L335 HydrophobicContact CE2-CD1 4.03Å; Y328-L335 HydrophobicContact CG-CD1 4.42Å
329	D	98.1	Very high	97.3	Very high	28 Å²	28	44.1 Å²	44.1	15%	0.15	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	119.3	164	-178.3	-86.2	0	0	0	110	S331 T332 Q333 V334 R336	D329-S331 PolarHBondContact O-N 3.17Å; D329-S331 PolarHBondContact OD1-N 3.2Å; D329-T332 WeakPolarHBondContact CB-OG1 3.38Å; D329-T332 VanDerWaalsContact CG-OG1 3.25Å; D329-T332 WeakPolarHBondContact OD1-CB 3.4Å; D329-T332 PolarHBondContact OD1-N 3.34Å; D329-T332 PolarHBondContact OD1-OG1 2.78Å; D329-Q333 WeakPolarHBondContact O-CA 3.18Å; D329-Q333 PolarHBondContact O-N 2.89Å; D329-V334 PolarHBondContact N-O 2.92Å; D329-R336 HydrophobicContact CB-CG 4.18Å
330	L	97	Very high	97.1	Very high	35 Å²	35	49.1 Å²	49.1	18%	0.183	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27	-174.7	179	60.2	0	0	0	113.2	L261 L273 F309 P314 I316	L261-L330 HydrophobicContact CD1-CD1 4.44Å; L261-L330 HydrophobicContact CD1-CD2 4.34Å; L273-L330 HydrophobicContact CD1-CD1 3.89Å; L273-L330 HydrophobicContact CD2-CD1 3.53Å; L273-L330 HydrophobicContact CG-CD1 4.4Å; F309-L330 HydrophobicContact CD1-CD2 4.2Å; F309-L330 HydrophobicContact CE1-CD1 4.19Å; F309-L330 HydrophobicContact CE1-CD2 4.33Å; P314-L330 HydrophobicContact CB-CB 4.27Å; P314-L330 WeakPolarHBondContact O-CB 3.41Å; P314-L330 PolarHBondContact O-N 2.81Å; I316-L330 HydrophobicContact CG2-CB 4.5Å; I316-L330 HydrophobicContact CG2-CD1 3.94Å
331	S	95.6	Very high	97	Very high	93 Å²	93	49.4 Å²	49.4	65%	0.65	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-35.2	-174.1	-59.5	0	0	0	0	112.8	D329	D329-S331 PolarHBondContact O-N 3.17Å; D329-S331 PolarHBondContact OD1-N 3.2Å
332	T	96.8	Very high	96.8	Very high	90 Å²	90	52.5 Å²	52.5	55%	0.552	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-13.1	-177.7	58.9	0	0	0	0	113.4	D329 V334	D329-T332 WeakPolarHBondContact CB-OG1 3.38Å; D329-T332 VanDerWaalsContact CG-OG1 3.25Å; D329-T332 WeakPolarHBondContact OD1-CB 3.4Å; D329-T332 PolarHBondContact OD1-N 3.34Å; D329-T332 PolarHBondContact OD1-OG1 2.78Å; T332-V334 PolarHBondContact O-N 3.14Å
333	Q	96.5	Very high	96.8	Very high	79 Å²	79	50.7 Å²	50.7	37%	0.369	26%	0.258	S	S	.	.			trans	61.8	19	-177.8	-56.4	-179.9	15.1	0	0	113.9	V282 G283 F285 D329	V282-Q333 PolarHBondContact O-NE2 3.5Å; G283-Q333 VanDerWaalsContact CA-OE1 3.23Å; F285-Q333 HydrophobicContact CE1-CB 3.82Å; F285-Q333 HydrophobicContact CE1-CG 3.92Å; F285-Q333 HydrophobicContact CZ-CG 4.27Å; D329-Q333 WeakPolarHBondContact O-CA 3.18Å; D329-Q333 PolarHBondContact O-N 2.89Å
334	V	96.3	Very high	96.9	Very high	88 Å²	88	51 Å²	51	53%	0.533	26%	0.261	S	S	.	.			trans	-84.7	130	178.7	177.7	0	0	0	0	109.9	Y328 D329 T332 R336	Y328-V334 WeakPolarHBondContact CA-O 3.42Å; D329-V334 PolarHBondContact N-O 2.92Å; T332-V334 PolarHBondContact O-N 3.14Å; V334-R336 PolarHBondContact O-N 2.69Å
335	L	97.6	Very high	96.9	Very high	66 Å²	66	51 Å²	51	35%	0.346	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	117.6	167.2	-179.9	66.1	0	0	0	108.8	A326 Y328 H337	A326-L335 HydrophobicContact CB-CD1 3.85Å; Y328-L335 HydrophobicContact CD1-CB 3.91Å; Y328-L335 HydrophobicContact CD1-CD1 4.19Å; Y328-L335 HydrophobicContact CD2-CD1 4.35Å; Y328-L335 HydrophobicContact CE1-CB 3.73Å; Y328-L335 HydrophobicContact CE1-CD1 3.85Å; Y328-L335 HydrophobicContact CE1-CG 4.36Å; Y328-L335 HydrophobicContact CE2-CD1 4.03Å; Y328-L335 HydrophobicContact CG-CD1 4.42Å; L335-H337 VanDerWaalsContact CD1-O 3.31Å; L335-H337 WeakPolarHBondContact CD1-O 3.46Å
336	R	97.5	Very high	96.9	Very high	112 Å²	112	52.9 Å²	52.9	42%	0.423	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-49	177.4	-70.7	-176	55.3	150.9	-2.8	111.6	I327 D329 V334 R372	I327-R336 WeakPolarHBondContact O-CA 3.43Å; I327-R336 WeakPolarHBondContact O-CB 3.26Å; I327-R336 PolarHBondContact O-N 2.86Å; D329-R336 HydrophobicContact CB-CG 4.18Å; V334-R336 PolarHBondContact O-N 2.69Å; R336-R372 PolarHBondContact NH2-O 2.79Å; R336-R372 VanDerWaalsContact NH2-O 3.15Å
337	H	97.8	Very high	96.9	Very high	44 Å²	44	55.8 Å²	55.8	20%	0.204	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142	-174.9	-58.1	-58.2	0	0	0	110.5	I327 L335 A371 R372 S373 G374	I327-H337 HydrophobicContact CB-CB 4.25Å; I327-H337 PolarHBondContact N-O 2.89Å; I327-H337 PolarHBondContact O-N 3.19Å; L335-H337 VanDerWaalsContact CD1-O 3.31Å; L335-H337 WeakPolarHBondContact CD1-O 3.46Å; H337-A371 PolarHBondContact CD2-O 2.75Å; H337-R372 VanDerWaalsContact NE2-C 3.31Å; H337-R372 PolarHBondContact NE2-O 3.03Å; H337-S373 PolarHBondContact CE1-O 3.32Å; H337-S373 VanDerWaalsContact NE2-C 3.29Å; H337-G374 PolarHBondContact CD2-N 2.89Å; H337-G374 PolarHBondContact NE2-N 2.83Å
338	R	97.2	Very high	96.9	Very high	123 Å²	123	56.1 Å²	56.1	46%	0.464	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	112	162	-176.9	-166.4	-67.8	-105.1	3.3	106.4	V287 T324	V287-R338 PolarHBondContact O-NH2 3.23Å; T324-R338 HydrophobicContact CG2-CG 3.66Å; T324-R338 PolarHBondContact OG1-NH1 3.35Å; T324-R338 VanDerWaalsContact OG1-NH1 3.13Å
339	C	96.8	Very high	96.8	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.034	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	151	170.4	-37.4	0	0	0	0	108	L325 W369 G374	L325-C339 HydrophobicContact CB-CB 4.1Å; L325-C339 HydrophobicContact CD2-CB 4.33Å; L325-C339 PolarHBondContact N-O 3.3Å; L325-C339 PolarHBondContact O-N 3.37Å; C339-W369 HydrophobicContact CB-CD2 4.09Å; C339-W369 HydrophobicContact CB-CE3 3.64Å; C339-W369 HydrophobicContact CB-CH2 3.9Å; C339-W369 HydrophobicContact CB-CZ2 4.3Å; C339-W369 HydrophobicContact CB-CZ3 3.55Å; C339-G374 PolarHBondContact SG-O 3.14Å; C339-G374 VanDerWaalsContact SG-O 3.39Å
340	Q	95.6	Very high	96.8	Very high	105 Å²	105	57.8 Å²	57.8	49%	0.491	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.1	-173.9	-173.8	63.7	53.1	0	0	110	D322	D322-Q340 PolarHBondContact O-NE2 3.47Å
341	H	94.7	Very high	96.8	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.037	29%	0.287	C	S	.	.			trans	-94.4	162.6	167.6	-73.3	-135.1	0	0	0	110.5	G323 A343 I345 T359 S361 R367 W369	G323-H341 WeakPolarHBondContact O-CB 3.31Å; G323-H341 PolarHBondContact O-N 3.27Å; H341-A343 VanDerWaalsContact C-N 3.33Å; H341-A343 WeakPolarHBondContact CB-O 3.42Å; H341-I345 HydrophobicContact CB-CG1 4.31Å; H341-T359 PolarHBondContact CE1-OG1 3.27Å; H341-T359 PolarHBondContact NE2-OG1 2.84Å; H341-S361 WeakPolarHBondContact ND1-CB 3.2Å; H341-S361 PolarHBondContact ND1-OG 3.16Å; H341-R367 PolarHBondContact ND1-NH1 2.94Å; H341-W369 AromaticContact CD2-CZ2 3.52Å; H341-W369 AromaticContact CE1-NE1 3.98Å; H341-W369 AromaticContact NE2-CE2 3.55Å; H341-W369 AromaticContact NE2-CZ2 3.42Å; H341-W369 WeakPolarHBondContact NE2-CZ2 3.42Å; H341-W369 AromaticContact NE2-NE1 3.19Å; H341-W369 PolarHBondContact NE2-NE1 2.89Å; H341-W369 VanDerWaalsContact NE2-NE1 3.19Å
342	E	92.3	Very high	96.6	Very high	150 Å²	150	56.4 Å²	56.4	70%	0.701	28%	0.276	S	S	*	.	S	Bend	trans	-75.4	-23.7	175.4	-54.8	-177.4	119.1	0	0	112.2	R367 R381	E342-R367 IonicContact OE2-NH2 3.5Å; E342-R367 PolarHBondContact OE2-NH2 2.84Å; E342-R381 IonicContact OE2-CZ 2.61Å; E342-R381 IonicContact OE2-NH2 3.27Å; E342-R381 PolarHBondContact OE2-NH2 3.02Å
343	A	96.1	Very high	96.4	Very high	30 Å²	30	55.1 Å²	55.1	25%	0.248	27%	0.271	C	S	.	.	S	Bend	trans	-141.9	172	175.9	0	0	0	0	0	111.3	G323 H341 L362 D363	G323-A343 WeakPolarHBondContact CA-O 3.24Å; H341-A343 VanDerWaalsContact C-N 3.33Å; H341-A343 WeakPolarHBondContact CB-O 3.42Å; A343-L362 HydrophobicContact CB-CB 4.07Å; A343-D363 HydrophobicContact CB-CB 3.87Å
344	G	97	Very high	96.3	Very high	6 Å²	6	52.2 Å²	52.2	6%	0.062	26%	0.26	C	S	.	.			trans	-56.3	141.7	-177.8	0	0	0	0	0	114.1	L321 S361 L362	L321-G344 WeakPolarHBondContact O-CA 2.94Å; G344-S361 CarbonylContact O-C 3.59Å; G344-S361 WeakPolarHBondContact O-CA 3.46Å; G344-S361 WeakPolarHBondContact O-CB 3.45Å; G344-L362 PolarHBondContact O-N 2.93Å
345	I	98.4	Very high	96.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.2	177.9	-49.1	-179.5	0	0	0	108.5	E305 A319 Y320 L325 H341 T359 C360	E305-I345 VanDerWaalsContact CB-O 3.25Å; E305-I345 WeakPolarHBondContact CB-O 3.46Å; E305-I345 WeakPolarHBondContact CG-O 3.32Å; A319-I345 HydrophobicContact CB-CB 3.96Å; A319-I345 HydrophobicContact CB-CD1 4.04Å; A319-I345 HydrophobicContact CB-CG2 3.71Å; Y320-I345 PolarHBondContact O-N 3.15Å; Y320-I345 VanDerWaalsContact O-N 3.15Å; L325-I345 HydrophobicContact CB-CD1 3.69Å; H341-I345 HydrophobicContact CB-CG1 4.31Å; I345-T359 HydrophobicContact CG2-CG2 4.02Å; I345-C360 WeakPolarHBondContact CA-O 2.94Å; I345-C360 VanDerWaalsContact CG2-O 3.26Å; I345-C360 WeakPolarHBondContact CG2-O 3.03Å
346	V	98	Very high	96.2	Very high	40 Å²	40	45.6 Å²	45.6	24%	0.242	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-50.3	-178.4	-176.5	0	0	0	0	110.9	C360 L362 L388	V346-C360 PolarHBondContact N-O 2.86Å; V346-L362 HydrophobicContact CG2-CD2 3.53Å; V346-L362 HydrophobicContact CG2-CG 3.89Å; V346-L388 VanDerWaalsContact CG1-O 3.3Å; V346-L388 WeakPolarHBondContact CG1-O 3.48Å
347	H	98.3	Very high	96.2	Very high	61 Å²	61	40.2 Å²	40.2	28%	0.282	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.1	-177.6	-172.2	-134.6	0	0	0	111.8	S306 T359 C360 D389 F390	S306-H347 PolarHBondContact OG-CD2 2.84Å; H347-T359 WeakPolarHBondContact O-CA 3.35Å; H347-C360 PolarHBondContact O-N 2.85Å; H347-C360 VanDerWaalsContact O-N 3.17Å; H347-D389 IonicContact ND1-OD1 3Å; H347-F390 HydrophobicContact CB-CD1 3.94Å; H347-F390 HydrophobicContact CB-CE1 3.85Å; H347-F390 AromaticContact CG-CE1 3.87Å; H347-F390 AromaticContact ND1-CD1 3.55Å; H347-F390 AromaticContact ND1-CE1 3.45Å; H347-F390 WeakPolarHBondContact ND1-CE1 3.32Å; H347-F390 PolarHBondContact ND1-O 3.37Å; H347-F390 WeakPolarHBondContact O-CE1 3.49Å
348	L	98.3	Very high	96.3	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142	170.2	82.4	86.3	0	0	0	111.7	S306 A317 A319 V357 S358 T359	S306-L348 WeakPolarHBondContact O-CD2 3.49Å; S306-L348 PolarHBondContact OG-N 2.83Å; S306-L348 VanDerWaalsContact OG-N 3.11Å; A317-L348 HydrophobicContact CB-CD1 4.12Å; A317-L348 HydrophobicContact CB-CD2 3.81Å; A319-L348 HydrophobicContact CB-CB 4.46Å; A319-L348 HydrophobicContact CB-CD2 3.68Å; L348-V357 HydrophobicContact CB-CG2 4.25Å; L348-V357 HydrophobicContact CD1-CG2 3.81Å; L348-S358 CarbonylContact C-O 3.46Å; L348-S358 VanDerWaalsContact CA-O 3.3Å; L348-S358 WeakPolarHBondContact CA-O 3.28Å; L348-T359 HydrophobicContact CB-CG2 3.85Å
349	Q	98.2	Very high	96.3	Very high	53 Å²	53	32.6 Å²	32.6	25%	0.248	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.8	173.4	-170.6	-177.8	-21.2	0	0	110.4	S358 F390 V392	Q349-S358 PolarHBondContact N-O 2.94Å; Q349-S358 PolarHBondContact O-N 2.81Å; Q349-F390 HydrophobicContact CB-CE2 4.16Å; Q349-F390 HydrophobicContact CB-CZ 3.81Å; Q349-V392 PolarHBondContact NE2-O 2.81Å
350	W	97.7	Very high	96.4	Very high	19 Å²	19	32.3 Å²	32.3	7%	0.072	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	143.1	171.7	-75.7	90.6	0	0	0	111.6	G308 C310 L315 A317 V357 A371	G308-W350 PolarHBondContact O-NE1 2.89Å; G308-W350 VanDerWaalsContact O-NE1 3.15Å; C310-W350 HydrophobicContact CB-CD2 3.95Å; C310-W350 HydrophobicContact CB-CE3 3.6Å; C310-W350 HydrophobicContact CB-CH2 3.69Å; C310-W350 HydrophobicContact CB-CZ2 4.05Å; C310-W350 HydrophobicContact CB-CZ3 3.47Å; C310-W350 VanDerWaalsContact CB-CZ3 3.47Å; L315-W350 HydrophobicContact CB-CH2 3.96Å; L315-W350 HydrophobicContact CB-CZ2 4.42Å; L315-W350 HydrophobicContact CD1-CH2 4.39Å; A317-W350 HydrophobicContact CB-CZ2 3.66Å; W350-V357 HydrophobicContact CD2-CB 3.95Å; W350-V357 HydrophobicContact CD2-CG2 4.21Å; W350-V357 HydrophobicContact CE3-CB 3.95Å; W350-V357 HydrophobicContact CG-CG2 4.37Å; W350-V357 HydrophobicContact CH2-CB 4.46Å; W350-V357 HydrophobicContact CZ2-CB 4.44Å; W350-V357 HydrophobicContact CZ3-CB 4.2Å; W350-A371 HydrophobicContact CH2-CB 3.33Å; W350-A371 HydrophobicContact CZ3-CB 3.49Å; W350-A371 VanDerWaalsContact CZ3-CB 3.49Å
351	E	95.6	Very high	96.5	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.037	15%	0.147	C	C	.	.			trans	-66.8	137.6	168.3	-177.6	177.2	177.1	0	0	111	S353 S354 V356 A396 R415 R418	E351-S353 VanDerWaalsContact C-N 3.29Å; E351-S353 PolarHBondContact O-N 2.86Å; E351-S353 PolarHBondContact OE1-OG 3.14Å; E351-S354 VanDerWaalsContact CD-CB 3.48Å; E351-S354 VanDerWaalsContact CD-OG 3.3Å; E351-S354 WeakPolarHBondContact OE2-CB 3.46Å; E351-S354 PolarHBondContact OE2-OG 3.35Å; E351-V356 HydrophobicContact CB-CB 4.47Å; E351-V356 PolarHBondContact N-O 3.14Å; E351-A396 HydrophobicContact CB-CB 4.3Å; E351-A396 HydrophobicContact CG-CB 3.65Å; E351-R415 IonicContact OE1-CZ 3.86Å; E351-R415 IonicContact OE1-NH1 3.68Å; E351-R415 PolarHBondContact OE1-NH1 2.98Å; E351-R415 IonicContact OE1-NH2 2.75Å; E351-R415 PolarHBondContact OE1-NH2 3.11Å; E351-R415 IonicContact OE2-CZ 2.72Å; E351-R415 VanDerWaalsContact OE2-CZ 3.31Å; E351-R415 IonicContact OE2-NH1 2.72Å; E351-R415 PolarHBondContact OE2-NH1 3.13Å; E351-R415 IonicContact OE2-NH2 3.76Å; E351-R415 PolarHBondContact OE2-NH2 3.15Å; E351-R415 VanDerWaalsContact OE2-NH2 3.15Å; E351-R418 IonicContact OE1-CZ 2.7Å; E351-R418 IonicContact OE1-NH2 2.75Å; E351-R418 PolarHBondContact OE1-NH2 2.77Å
352	E	92.1	Very high	96.7	Very high	90 Å²	90	30.6 Å²	30.6	42%	0.421	16%	0.164	S	C	.	.	S	Bend	trans	-63.5	-33.1	178.7	178.9	57.6	-161	0	0	112.9	K257 N311	K257-E352 IonicContact NZ-OE1 3.8Å; K257-E352 PolarHBondContact NZ-OE1 3.48Å; N311-E352 WeakPolarHBondContact CB-O 3.23Å; N311-E352 PolarHBondContact ND2-OE2 2.71Å
353	S	92.1	Very high	96.9	Very high	63 Å²	63	25.3 Å²	25.3	44%	0.441	14%	0.141	S	C	.	.	S	Bend	trans	-105.2	-6.2	-173.4	87.5	0	0	0	0	116	E351	E351-S353 VanDerWaalsContact C-N 3.29Å; E351-S353 PolarHBondContact O-N 2.86Å; E351-S353 PolarHBondContact OE1-OG 3.14Å
354	S	94.3	Very high	96.9	Very high	19 Å²	19	24 Å²	24	13%	0.133	13%	0.131	C	C	.	.	S	Bend	trans	-144.9	179.5	-169.1	108	0	0	0	0	115.3	E351 V356	E351-S354 VanDerWaalsContact CD-CB 3.48Å; E351-S354 VanDerWaalsContact CD-OG 3.3Å; E351-S354 WeakPolarHBondContact OE2-CB 3.46Å; E351-S354 PolarHBondContact OE2-OG 3.35Å; S354-V356 VanDerWaalsContact C-N 3.3Å; S354-V356 WeakPolarHBondContact OG-CG2 3.45Å; S354-V356 PolarHBondContact OG-N 3.27Å
355	S	95.7	Very high	97	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.021	13%	0.128	C	C	.	.	S	Bend	trans	-90	14.1	175.1	65.6	0	0	0	0	113.7	D370 A371 R372	S355-D370 PolarHBondContact OG-OD1 2.9Å; S355-A371 WeakPolarHBondContact O-CB 3.37Å; S355-A371 PolarHBondContact O-N 3.06Å; S355-R372 PolarHBondContact OG-NE 2.82Å; S355-R372 PolarHBondContact OG-NH2 3.27Å
356	V	97.1	Very high	97	Very high	11 Å²	11	23.8 Å²	23.8	7%	0.067	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	134.4	173.9	178.9	0	0	0	0	109.8	E351 S354 L368 W369 L377	E351-V356 HydrophobicContact CB-CB 4.47Å; E351-V356 PolarHBondContact N-O 3.14Å; S354-V356 VanDerWaalsContact C-N 3.3Å; S354-V356 WeakPolarHBondContact OG-CG2 3.45Å; S354-V356 PolarHBondContact OG-N 3.27Å; V356-L368 HydrophobicContact CG1-CB 4.13Å; V356-L368 HydrophobicContact CG1-CG 4.31Å; V356-W369 VanDerWaalsContact CA-O 3.3Å; V356-W369 WeakPolarHBondContact CA-O 3.5Å; V356-L377 HydrophobicContact CG1-CD1 4.47Å; V356-L377 HydrophobicContact CG2-CD1 3.64Å
357	V	98	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.1	164.8	60.4	0	0	0	0	108.3	A317 L325 I327 L348 W350 W369	A317-V357 HydrophobicContact CB-CG2 4.33Å; L325-V357 HydrophobicContact CD2-CG1 3.99Å; I327-V357 HydrophobicContact CD1-CG1 4.42Å; L348-V357 HydrophobicContact CB-CG2 4.25Å; L348-V357 HydrophobicContact CD1-CG2 3.81Å; W350-V357 HydrophobicContact CD2-CB 3.95Å; W350-V357 HydrophobicContact CD2-CG2 4.21Å; W350-V357 HydrophobicContact CE3-CB 3.95Å; W350-V357 HydrophobicContact CG-CG2 4.37Å; W350-V357 HydrophobicContact CH2-CB 4.46Å; W350-V357 HydrophobicContact CZ2-CB 4.44Å; W350-V357 HydrophobicContact CZ3-CB 4.2Å; V357-W369 HydrophobicContact CG1-CB 4.01Å; V357-W369 PolarHBondContact N-O 2.84Å; V357-W369 PolarHBondContact O-N 3.26Å
358	S	98.4	Very high	96.9	Very high	6 Å²	6	19.6 Å²	19.6	4%	0.042	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	149.4	171.6	-60	0	0	0	0	109.7	L348 Q349 R367 F390	L348-S358 CarbonylContact C-O 3.46Å; L348-S358 VanDerWaalsContact CA-O 3.3Å; L348-S358 WeakPolarHBondContact CA-O 3.28Å; Q349-S358 PolarHBondContact N-O 2.94Å; Q349-S358 PolarHBondContact O-N 2.81Å; S358-R367 CarbonylContact C-O 3.57Å; S358-R367 VanDerWaalsContact CA-O 3.29Å; S358-R367 WeakPolarHBondContact CA-O 3.43Å; S358-F390 WeakPolarHBondContact O-CZ 3.28Å
359	T	98.7	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	135.4	-176.1	44	0	0	0	0	110.2	L325 H341 I345 H347 L348 R367 W369	L325-T359 HydrophobicContact CD1-CG2 4.11Å; L325-T359 HydrophobicContact CD2-CG2 4.09Å; H341-T359 PolarHBondContact CE1-OG1 3.27Å; H341-T359 PolarHBondContact NE2-OG1 2.84Å; I345-T359 HydrophobicContact CG2-CG2 4.02Å; H347-T359 WeakPolarHBondContact O-CA 3.35Å; L348-T359 HydrophobicContact CB-CG2 3.85Å; T359-R367 PolarHBondContact N-O 2.96Å; T359-R367 PolarHBondContact O-N 2.79Å; T359-R367 PolarHBondContact OG1-O 3.05Å; T359-W369 PolarHBondContact OG1-NE1 3.29Å
360	C	98.3	Very high	96.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	152	167.2	71.3	0	0	0	0	111	I345 V346 H347 I387 F390	I345-C360 WeakPolarHBondContact CA-O 2.94Å; I345-C360 VanDerWaalsContact CG2-O 3.26Å; I345-C360 WeakPolarHBondContact CG2-O 3.03Å; V346-C360 PolarHBondContact N-O 2.86Å; H347-C360 PolarHBondContact O-N 2.85Å; H347-C360 VanDerWaalsContact O-N 3.17Å; C360-I387 HydrophobicContact CB-CB 3.83Å; C360-I387 HydrophobicContact CB-CD1 4.24Å; C360-I387 HydrophobicContact CB-CG2 3.47Å; C360-I387 VanDerWaalsContact CB-CG2 3.47Å; C360-F390 HydrophobicContact CB-CB 4.48Å; C360-F390 HydrophobicContact CB-CD1 3.68Å; C360-F390 HydrophobicContact CB-CE1 4.22Å; C360-F390 HydrophobicContact CB-CG 4.19Å; C360-F390 WeakPolarHBondContact SG-CD1 3.37Å
361	S	97.6	Very high	96.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	166.8	-179.3	37.2	0	0	0	0	113.2	H341 G344 D363 G364 A365 R367 I387	H341-S361 WeakPolarHBondContact ND1-CB 3.2Å; H341-S361 PolarHBondContact ND1-OG 3.16Å; G344-S361 CarbonylContact O-C 3.59Å; G344-S361 WeakPolarHBondContact O-CA 3.46Å; G344-S361 WeakPolarHBondContact O-CB 3.45Å; S361-D363 VanDerWaalsContact CB-OD1 3.24Å; S361-D363 WeakPolarHBondContact CB-OD1 3.41Å; S361-D363 PolarHBondContact O-N 3.44Å; S361-D363 PolarHBondContact OG-OD1 2.76Å; S361-G364 PolarHBondContact O-N 2.93Å; S361-A365 PolarHBondContact N-O 3.23Å; S361-R367 PolarHBondContact OG-NH1 2.79Å; S361-I387 PolarHBondContact O-N 3.02Å
362	L	97.9	Very high	96.9	Very high	76 Å²	76	23.1 Å²	23.1	40%	0.398	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-3.6	-177.1	-62.4	173.4	0	0	0	114.3	L321 A343 G344 V346 E386	L321-L362 HydrophobicContact CD1-CD1 4.18Å; A343-L362 HydrophobicContact CB-CB 4.07Å; G344-L362 PolarHBondContact O-N 2.93Å; V346-L362 HydrophobicContact CG2-CD2 3.53Å; V346-L362 HydrophobicContact CG2-CG 3.89Å; L362-E386 HydrophobicContact CB-CB 4.25Å; L362-E386 HydrophobicContact CD2-CB 3.73Å; L362-E386 HydrophobicContact CD2-CG 4.21Å
363	D	97	Very high	97.1	Very high	39 Å²	39	20.9 Å²	20.9	21%	0.209	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	14.9	174.1	64.8	-20.4	0	0	0	113.7	A343 S361 A365 R367	A343-D363 HydrophobicContact CB-CB 3.87Å; S361-D363 VanDerWaalsContact CB-OD1 3.24Å; S361-D363 WeakPolarHBondContact CB-OD1 3.41Å; S361-D363 PolarHBondContact O-N 3.44Å; S361-D363 PolarHBondContact OG-OD1 2.76Å; D363-A365 PolarHBondContact O-N 3.35Å; D363-R367 VanDerWaalsContact CG-NH1 3.35Å; D363-R367 IonicContact OD1-NH1 3.12Å; D363-R367 PolarHBondContact OD1-NH1 2.82Å; D363-R367 IonicContact OD2-CZ 2.75Å; D363-R367 IonicContact OD2-NH1 3.98Å; D363-R367 PolarHBondContact OD2-NH1 2.84Å; D363-R367 IonicContact OD2-NH2 3.5Å; D363-R367 PolarHBondContact OD2-NH2 3.38Å
364	G	97.1	Very high	97.3	Very high	4 Å²	4	18.7 Å²	18.7	4%	0.041	10%	0.098	C	C	.	.	S	Bend	trans	73.4	8.3	177	0	0	0	0	0	114.9	S361 A385 I387	S361-G364 PolarHBondContact O-N 2.93Å; G364-A385 WeakPolarHBondContact CA-O 3.43Å; G364-I387 WeakPolarHBondContact O-CD1 3.35Å
365	A	97.6	Very high	97.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.			trans	-105.9	137.7	-173.1	0	0	0	0	0	113.5	S361 D363 E379 Y380 R381	S361-A365 PolarHBondContact N-O 3.23Å; D363-A365 PolarHBondContact O-N 3.35Å; A365-E379 HydrophobicContact CB-CG 4.28Å; A365-Y380 WeakPolarHBondContact CA-O 3.49Å; A365-R381 HydrophobicContact CB-CG 4.24Å
366	L	98.2	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.2	168.1	173.5	66.1	0	0	0	109.4	L368 E379 Y380 I387 F390 A399 T401 F411 L413	L366-L368 HydrophobicContact CG-CD1 4.28Å; L366-E379 CarbonylContact O-C 3.6Å; L366-E379 WeakPolarHBondContact O-CA 3.22Å; L366-Y380 PolarHBondContact N-O 3.26Å; L366-Y380 PolarHBondContact O-N 3.07Å; L366-I387 HydrophobicContact CB-CD1 4.39Å; L366-F390 HydrophobicContact CD1-CD2 3.51Å; L366-F390 HydrophobicContact CD1-CE2 3.64Å; L366-F390 HydrophobicContact CD1-CG 4.08Å; L366-F390 HydrophobicContact CD1-CZ 4.31Å; L366-A399 HydrophobicContact CD2-CB 3.46Å; L366-A399 VanDerWaalsContact CD2-CB 3.46Å; L366-T401 HydrophobicContact CB-CG2 4.44Å; L366-T401 HydrophobicContact CD2-CG2 4.28Å; L366-F411 HydrophobicContact CD2-CD2 4.33Å; L366-L413 HydrophobicContact CD2-CD2 4.27Å
367	R	98	Very high	97.4	Very high	6 Å²	6	29.2 Å²	29.2	2%	0.023	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.3	-175.4	-68.3	-177.7	176.7	101.4	1	112.3	H341 E342 S358 T359 S361 D363 W369 L376 E379	H341-R367 PolarHBondContact ND1-NH1 2.94Å; E342-R367 IonicContact OE2-NH2 3.5Å; E342-R367 PolarHBondContact OE2-NH2 2.84Å; S358-R367 CarbonylContact C-O 3.57Å; S358-R367 VanDerWaalsContact CA-O 3.29Å; S358-R367 WeakPolarHBondContact CA-O 3.43Å; T359-R367 PolarHBondContact N-O 2.96Å; T359-R367 PolarHBondContact O-N 2.79Å; T359-R367 PolarHBondContact OG1-O 3.05Å; S361-R367 PolarHBondContact OG-NH1 2.79Å; D363-R367 VanDerWaalsContact CG-NH1 3.35Å; D363-R367 IonicContact OD1-NH1 3.12Å; D363-R367 PolarHBondContact OD1-NH1 2.82Å; D363-R367 IonicContact OD2-CZ 2.75Å; D363-R367 IonicContact OD2-NH1 3.98Å; D363-R367 PolarHBondContact OD2-NH1 2.84Å; D363-R367 IonicContact OD2-NH2 3.5Å; D363-R367 PolarHBondContact OD2-NH2 3.38Å; R367-W369 HydrophobicContact CB-CZ2 4.39Å; R367-L376 HydrophobicContact CB-CD1 3.77Å; R367-L376 HydrophobicContact CG-CD1 4.02Å; R367-E379 HydrophobicContact CG-CB 4.36Å; R367-E379 HydrophobicContact CG-CG 4.07Å; R367-E379 IonicContact CZ-OE2 3.06Å; R367-E379 IonicContact NE-OE2 3.49Å; R367-E379 PolarHBondContact NE-OE2 2.73Å; R367-E379 IonicContact NH2-OE2 3.25Å; R367-E379 PolarHBondContact NH2-OE2 2.81Å
368	L	97.8	Very high	97.3	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.3	178.7	-80	62.2	0	0	0	109.7	V356 L366 L377 S378 Y380 L413	V356-L368 HydrophobicContact CG1-CB 4.13Å; V356-L368 HydrophobicContact CG1-CG 4.31Å; L366-L368 HydrophobicContact CG-CD1 4.28Å; L368-L377 HydrophobicContact CB-CB 4.49Å; L368-L377 WeakPolarHBondContact O-CB 3.42Å; L368-L377 PolarHBondContact O-N 2.66Å; L368-S378 PolarHBondContact N-O 3.25Å; L368-Y380 HydrophobicContact CD1-CD2 4.05Å; L368-Y380 HydrophobicContact CD1-CE2 3.85Å; L368-Y380 HydrophobicContact CD2-CE2 4.22Å; L368-L413 HydrophobicContact CD1-CD2 4.3Å; L368-L413 HydrophobicContact CD2-CD2 4.43Å
369	W	97.9	Very high	97.2	Very high	17 Å²	17	33.2 Å²	33.2	6%	0.064	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.6	-174.8	-54.7	89.3	0	0	0	112.2	L325 C339 H341 V356 V357 T359 R367 A371 N375 L376	L325-W369 HydrophobicContact CD2-CB 4.16Å; L325-W369 VanDerWaalsContact CD2-CD1 3.44Å; L325-W369 HydrophobicContact CD2-CD2 4.12Å; L325-W369 HydrophobicContact CD2-CG 3.67Å; C339-W369 HydrophobicContact CB-CD2 4.09Å; C339-W369 HydrophobicContact CB-CE3 3.64Å; C339-W369 HydrophobicContact CB-CH2 3.9Å; C339-W369 HydrophobicContact CB-CZ2 4.3Å; C339-W369 HydrophobicContact CB-CZ3 3.55Å; H341-W369 AromaticContact CD2-CZ2 3.52Å; H341-W369 AromaticContact CE1-NE1 3.98Å; H341-W369 AromaticContact NE2-CE2 3.55Å; H341-W369 AromaticContact NE2-CZ2 3.42Å; H341-W369 WeakPolarHBondContact NE2-CZ2 3.42Å; H341-W369 AromaticContact NE2-NE1 3.19Å; H341-W369 PolarHBondContact NE2-NE1 2.89Å; H341-W369 VanDerWaalsContact NE2-NE1 3.19Å; V356-W369 VanDerWaalsContact CA-O 3.3Å; V356-W369 WeakPolarHBondContact CA-O 3.5Å; V357-W369 HydrophobicContact CG1-CB 4.01Å; V357-W369 PolarHBondContact N-O 2.84Å; V357-W369 PolarHBondContact O-N 3.26Å; T359-W369 PolarHBondContact OG1-NE1 3.29Å; R367-W369 HydrophobicContact CB-CZ2 4.39Å; W369-A371 PolarHBondContact O-N 2.66Å; W369-N375 WeakPolarHBondContact CA-O 3.41Å; W369-L376 HydrophobicContact CD2-CD1 4.03Å; W369-L376 HydrophobicContact CE3-CB 3.87Å; W369-L376 HydrophobicContact CE3-CD1 4.2Å; W369-L376 HydrophobicContact CH2-CB 4.2Å; W369-L376 HydrophobicContact CH2-CD1 4.15Å; W369-L376 HydrophobicContact CZ2-CD1 3.99Å; W369-L376 HydrophobicContact CZ3-CB 3.67Å; W369-L376 HydrophobicContact CZ3-CD1 4.24Å; W369-L376 HydrophobicContact CZ3-CG 4.5Å
370	D	97.1	Very high	97.1	Very high	9 Å²	9	34.2 Å²	34.2	5%	0.048	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	104.7	168.9	169.9	34.1	0	0	0	111.2	S355 R372 S373 G374 N375 L377	S355-D370 PolarHBondContact OG-OD1 2.9Å; D370-R372 VanDerWaalsContact CG-CZ 3.42Å; D370-R372 PolarHBondContact O-N 3Å; D370-R372 WeakPolarHBondContact OD1-CB 3.24Å; D370-R372 IonicContact OD1-CZ 3.17Å; D370-R372 PolarHBondContact OD1-N 2.85Å; D370-R372 IonicContact OD1-NE 2.88Å; D370-R372 PolarHBondContact OD1-NE 2.85Å; D370-R372 IonicContact OD1-NH1 3.9Å; D370-R372 PolarHBondContact OD1-NH1 3.47Å; D370-R372 IonicContact OD1-NH2 2.78Å; D370-R372 PolarHBondContact OD1-NH2 2.83Å; D370-R372 IonicContact OD2-CZ 3.36Å; D370-R372 VanDerWaalsContact OD2-CZ 3.27Å; D370-R372 IonicContact OD2-NH1 3.34Å; D370-R372 PolarHBondContact OD2-NH1 2.89Å; D370-R372 IonicContact OD2-NH2 2.53Å; D370-R372 PolarHBondContact OD2-NH2 2.88Å; D370-S373 WeakPolarHBondContact CB-OG 3.39Å; D370-S373 PolarHBondContact O-N 3.16Å; D370-S373 PolarHBondContact O-OG 2.92Å; D370-S373 WeakPolarHBondContact OD2-CB 3.36Å; D370-S373 PolarHBondContact OD2-N 2.99Å; D370-S373 PolarHBondContact OD2-OG 2.96Å; D370-G374 PolarHBondContact O-N 3.37Å; D370-N375 PolarHBondContact N-O 3.4Å; D370-L377 HydrophobicContact CB-CD1 4.06Å; D370-L377 HydrophobicContact CB-CD2 3.98Å; D370-L377 HydrophobicContact CB-CG 4.14Å
371	A	97.1	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-10.9	-179.2	0	0	0	0	0	115.2	L315 I327 H337 W350 S355 W369	L315-A371 HydrophobicContact CD1-CB 3.88Å; I327-A371 HydrophobicContact CD1-CB 3.81Å; I327-A371 HydrophobicContact CG2-CB 3.98Å; H337-A371 PolarHBondContact CD2-O 2.75Å; W350-A371 HydrophobicContact CH2-CB 3.33Å; W350-A371 HydrophobicContact CZ3-CB 3.49Å; W350-A371 VanDerWaalsContact CZ3-CB 3.49Å; S355-A371 WeakPolarHBondContact O-CB 3.37Å; S355-A371 PolarHBondContact O-N 3.06Å; W369-A371 PolarHBondContact O-N 2.66Å
372	R	96.3	Very high	97	Very high	135 Å²	135	38 Å²	38	51%	0.509	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-36.5	169.8	-69.4	174.4	-82.1	90.9	4.3	112	L313 R336 H337 S355 D370	L313-R372 HydrophobicContact CD1-CG 3.81Å; R336-R372 PolarHBondContact NH2-O 2.79Å; R336-R372 VanDerWaalsContact NH2-O 3.15Å; H337-R372 VanDerWaalsContact NE2-C 3.31Å; H337-R372 PolarHBondContact NE2-O 3.03Å; S355-R372 PolarHBondContact OG-NE 2.82Å; S355-R372 PolarHBondContact OG-NH2 3.27Å; D370-R372 VanDerWaalsContact CG-CZ 3.42Å; D370-R372 PolarHBondContact O-N 3Å; D370-R372 WeakPolarHBondContact OD1-CB 3.24Å; D370-R372 IonicContact OD1-CZ 3.17Å; D370-R372 PolarHBondContact OD1-N 2.85Å; D370-R372 IonicContact OD1-NE 2.88Å; D370-R372 PolarHBondContact OD1-NE 2.85Å; D370-R372 IonicContact OD1-NH1 3.9Å; D370-R372 PolarHBondContact OD1-NH1 3.47Å; D370-R372 IonicContact OD1-NH2 2.78Å; D370-R372 PolarHBondContact OD1-NH2 2.83Å; D370-R372 IonicContact OD2-CZ 3.36Å; D370-R372 VanDerWaalsContact OD2-CZ 3.27Å; D370-R372 IonicContact OD2-NH1 3.34Å; D370-R372 PolarHBondContact OD2-NH1 2.89Å; D370-R372 IonicContact OD2-NH2 2.53Å; D370-R372 PolarHBondContact OD2-NH2 2.88Å
373	S	96.6	Very high	97	Very high	43 Å²	43	35.2 Å²	35.2	30%	0.301	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-22.8	-170.6	56.6	0	0	0	0	115.1	H337 D370 N375	H337-S373 PolarHBondContact CE1-O 3.32Å; H337-S373 VanDerWaalsContact NE2-C 3.29Å; D370-S373 WeakPolarHBondContact CB-OG 3.39Å; D370-S373 PolarHBondContact O-N 3.16Å; D370-S373 PolarHBondContact O-OG 2.92Å; D370-S373 WeakPolarHBondContact OD2-CB 3.36Å; D370-S373 PolarHBondContact OD2-N 2.99Å; D370-S373 PolarHBondContact OD2-OG 2.96Å; S373-N375 PolarHBondContact OG-N 3.04Å
374	G	96.4	Very high	97	Very high	16 Å²	16	38.4 Å²	38.4	17%	0.165	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	2.8	-172.9	0	0	0	0	0	113.5	H337 C339 D370	H337-G374 PolarHBondContact CD2-N 2.89Å; H337-G374 PolarHBondContact NE2-N 2.83Å; C339-G374 PolarHBondContact SG-O 3.14Å; C339-G374 VanDerWaalsContact SG-O 3.39Å; D370-G374 PolarHBondContact O-N 3.37Å
375	N	96.9	Very high	97	Very high	102 Å²	102	39.5 Å²	39.5	55%	0.545	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	139.9	-177.9	-66.3	-9.5	0	0	0	111.5	W369 D370 S373	W369-N375 WeakPolarHBondContact CA-O 3.41Å; D370-N375 PolarHBondContact N-O 3.4Å; S373-N375 PolarHBondContact OG-N 3.04Å
376	L	97.2	Very high	97	Very high	72 Å²	72	43.3 Å²	43.3	38%	0.377	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	134	160.4	-173	64.8	0	0	0	108.8	R367 W369 S378 E379	R367-L376 HydrophobicContact CB-CD1 3.77Å; R367-L376 HydrophobicContact CG-CD1 4.02Å; W369-L376 HydrophobicContact CD2-CD1 4.03Å; W369-L376 HydrophobicContact CE3-CB 3.87Å; W369-L376 HydrophobicContact CE3-CD1 4.2Å; W369-L376 HydrophobicContact CH2-CB 4.2Å; W369-L376 HydrophobicContact CH2-CD1 4.15Å; W369-L376 HydrophobicContact CZ2-CD1 3.99Å; W369-L376 HydrophobicContact CZ3-CB 3.67Å; W369-L376 HydrophobicContact CZ3-CD1 4.24Å; W369-L376 HydrophobicContact CZ3-CG 4.5Å; L376-S378 WeakPolarHBondContact CD1-O 3.41Å; L376-E379 HydrophobicContact CD2-CB 4.44Å
377	L	95.9	Very high	97	Very high	80 Å²	80	43.3 Å²	43.3	42%	0.419	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-39.9	176.9	-60.4	178.4	0	0	0	111.7	V356 L368 D370	V356-L377 HydrophobicContact CG1-CD1 4.47Å; V356-L377 HydrophobicContact CG2-CD1 3.64Å; L368-L377 HydrophobicContact CB-CB 4.49Å; L368-L377 WeakPolarHBondContact O-CB 3.42Å; L368-L377 PolarHBondContact O-N 2.66Å; D370-L377 HydrophobicContact CB-CD1 4.06Å; D370-L377 HydrophobicContact CB-CD2 3.98Å; D370-L377 HydrophobicContact CB-CG 4.14Å
378	S	95.7	Very high	97	Very high	25 Å²	25	45.2 Å²	45.2	18%	0.175	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	147	-177.4	-53.3	0	0	0	0	109.7	L368 L376	L368-S378 PolarHBondContact N-O 3.25Å; L376-S378 WeakPolarHBondContact CD1-O 3.41Å
379	E	96.2	Very high	97.1	Very high	65 Å²	65	46.4 Å²	46.4	30%	0.304	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.5	170	-179.2	172.4	104.1	0	0	106.4	A365 L366 R367 L376 R381	A365-E379 HydrophobicContact CB-CG 4.28Å; L366-E379 CarbonylContact O-C 3.6Å; L366-E379 WeakPolarHBondContact O-CA 3.22Å; R367-E379 HydrophobicContact CG-CB 4.36Å; R367-E379 HydrophobicContact CG-CG 4.07Å; R367-E379 IonicContact CZ-OE2 3.06Å; R367-E379 IonicContact NE-OE2 3.49Å; R367-E379 PolarHBondContact NE-OE2 2.73Å; R367-E379 IonicContact NH2-OE2 3.25Å; R367-E379 PolarHBondContact NH2-OE2 2.81Å; L376-E379 HydrophobicContact CD2-CB 4.44Å; E379-R381 HydrophobicContact CG-CG 4.38Å; E379-R381 IonicContact OE1-CZ 2.71Å; E379-R381 IonicContact OE1-NE 2.78Å; E379-R381 PolarHBondContact OE1-NE 2.79Å; E379-R381 IonicContact OE1-NH2 3.66Å; E379-R381 PolarHBondContact OE1-NH2 2.8Å; E379-R381 IonicContact OE2-NH2 3.31Å
380	Y	97.3	Very high	97.1	Very high	22 Å²	22	45.7 Å²	45.7	9%	0.086	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.5	178.1	-62	-97.7	0	0	0	107.9	D69 A365 L366 L368 F411 L413 Q414	D69-Y380 HydrophobicContact CB-CD1 4.1Å; D69-Y380 WeakPolarHBondContact OD2-CA 3.45Å; A365-Y380 WeakPolarHBondContact CA-O 3.49Å; L366-Y380 PolarHBondContact N-O 3.26Å; L366-Y380 PolarHBondContact O-N 3.07Å; L368-Y380 HydrophobicContact CD1-CD2 4.05Å; L368-Y380 HydrophobicContact CD1-CE2 3.85Å; L368-Y380 HydrophobicContact CD2-CE2 4.22Å; Y380-F411 HydrophobicContact CD1-CB 4.26Å; Y380-F411 AromaticContact CD1-CD1 3.98Å; Y380-F411 HydrophobicContact CD1-CD1 3.98Å; Y380-F411 HydrophobicContact CD1-CG 4.43Å; Y380-F411 HydrophobicContact CG-CD1 4.25Å; Y380-L413 HydrophobicContact CD2-CD2 4.21Å; Y380-L413 HydrophobicContact CE1-CD2 4.39Å; Y380-L413 HydrophobicContact CE2-CD2 3.76Å; Y380-L413 WeakPolarHBondContact OH-CA 3.29Å; Y380-Q414 PolarHBondContact OH-N 3.36Å; Y380-Q414 PolarHBondContact OH-O 2.72Å; Y380-Q414 VanDerWaalsContact OH-O 3.13Å
381	R	96.9	Very high	97.1	Very high	65 Å²	65	46.4 Å²	46.4	25%	0.245	25%	0.246	C	C	.	.			trans	-121.1	171.1	179.7	-65.2	-169.9	-178.3	-109.7	6.5	110.7	Q67 D69 E342 A365 E379 F411	Q67-R381 CarbonylContact O-C 3.16Å; Q67-R381 WeakPolarHBondContact O-CB 3.38Å; D69-R381 PolarHBondContact N-O 2.94Å; D69-R381 PolarHBondContact OD2-N 2.95Å; E342-R381 IonicContact OE2-CZ 2.61Å; E342-R381 IonicContact OE2-NH2 3.27Å; E342-R381 PolarHBondContact OE2-NH2 3.02Å; A365-R381 HydrophobicContact CB-CG 4.24Å; E379-R381 HydrophobicContact CG-CG 4.38Å; E379-R381 IonicContact OE1-CZ 2.71Å; E379-R381 IonicContact OE1-NE 2.78Å; E379-R381 PolarHBondContact OE1-NE 2.79Å; E379-R381 IonicContact OE1-NH2 3.66Å; E379-R381 PolarHBondContact OE1-NH2 2.8Å; E379-R381 IonicContact OE2-NH2 3.31Å; R381-F411 WeakPolarHBondContact O-CE1 3.21Å
382	G	95.8	Very high	97.1	Very high	15 Å²	15	46.8 Å²	46.8	16%	0.155	25%	0.249	C	C	.	.			trans	144.6	-18.9	177	0	0	0	0	0	114.5	Q67 K409	Q67-G382 VanDerWaalsContact O-CA 3.31Å; Q67-G382 WeakPolarHBondContact O-CA 3.34Å; Q67-G382 PolarHBondContact O-N 3.47Å; Q67-G382 VanDerWaalsContact O-N 3.12Å; G382-K409 WeakPolarHBondContact O-CE 3.36Å
383	H	97.7	Very high	97	Very high	17 Å²	17	41.1 Å²	41.1	8%	0.079	23%	0.229	C	C	.	.			trans	-74.9	145.3	166.2	-78.1	-66.1	0	0	0	110.9	T401 S403 D405 Q407	H383-T401 PolarHBondContact CD2-OG1 2.95Å; H383-T401 PolarHBondContact NE2-OG1 3.22Å; H383-S403 WeakPolarHBondContact CE1-CB 3.5Å; H383-S403 WeakPolarHBondContact ND1-CB 3.3Å; H383-D405 VanDerWaalsContact CA-OD2 3.24Å; H383-D405 WeakPolarHBondContact CA-OD2 3.34Å; H383-D405 WeakPolarHBondContact CB-OD2 3.46Å; H383-D405 IonicContact CE1-OD1 3.92Å; H383-D405 IonicContact CE1-OD2 2.94Å; H383-D405 IonicContact CG-OD2 3.66Å; H383-D405 VanDerWaalsContact ND1-CG 3.28Å; H383-D405 IonicContact ND1-OD1 2.7Å; H383-D405 PolarHBondContact ND1-OD1 2.75Å; H383-D405 IonicContact ND1-OD2 2.69Å; H383-D405 PolarHBondContact ND1-OD2 2.86Å; H383-Q407 PolarHBondContact CE1-O 2.62Å
384	T	96.6	Very high	96.5	Very high	106 Å²	106	41.1 Å²	41.1	65%	0.65	24%	0.236	S	C	*	.	S	Bend	trans	-99.1	2.2	177.8	58.3	0	0	0	0	113.5	D405	T384-D405 PolarHBondContact N-OD2 2.95Å; T384-D405 VanDerWaalsContact N-OD2 3.1Å; T384-D405 WeakPolarHBondContact OG1-CB 3.31Å
385	A	97.4	Very high	96.2	Very high	27 Å²	27	46.6 Å²	46.6	22%	0.223	26%	0.257	C	S	.	.	S	Bend	trans	-143.2	-178.8	175.3	0	0	0	0	0	110.2	G364 S403 D405	G364-A385 WeakPolarHBondContact CA-O 3.43Å; A385-S403 PolarHBondContact O-OG 3.06Å; A385-D405 HydrophobicContact CB-CB 3.99Å
386	E	97.9	Very high	96	Very high	80 Å²	80	42.1 Å²	42.1	37%	0.374	23%	0.234	S	C	.	.			trans	-54.4	145.1	177.8	59.2	-87.8	-153.6	0	0	113.8	L362 L388 S403 G404	L362-E386 HydrophobicContact CB-CB 4.25Å; L362-E386 HydrophobicContact CD2-CB 3.73Å; L362-E386 HydrophobicContact CD2-CG 4.21Å; E386-L388 HydrophobicContact CG-CD2 3.59Å; E386-L388 HydrophobicContact CG-CG 4.2Å; E386-S403 WeakPolarHBondContact O-CA 3.48Å; E386-S403 WeakPolarHBondContact O-CB 3.38Å; E386-S403 PolarHBondContact O-OG 2.83Å; E386-G404 PolarHBondContact O-N 3.32Å
387	I	98.6	Very high	95.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117	166.6	-64.7	166.2	0	0	0	108.2	C360 S361 G364 L366 D389 F390 T401 A402	C360-I387 HydrophobicContact CB-CB 3.83Å; C360-I387 HydrophobicContact CB-CD1 4.24Å; C360-I387 HydrophobicContact CB-CG2 3.47Å; C360-I387 VanDerWaalsContact CB-CG2 3.47Å; S361-I387 PolarHBondContact O-N 3.02Å; G364-I387 WeakPolarHBondContact O-CD1 3.35Å; L366-I387 HydrophobicContact CB-CD1 4.39Å; I387-D389 VanDerWaalsContact CG2-O 3.22Å; I387-D389 WeakPolarHBondContact CG2-O 3.43Å; I387-F390 HydrophobicContact CG2-CB 4.4Å; I387-T401 HydrophobicContact CD1-CG2 3.92Å; I387-T401 HydrophobicContact CG2-CG2 4.14Å; I387-A402 CarbonylContact C-O 3.58Å; I387-A402 WeakPolarHBondContact CA-O 3.48Å; I387-A402 WeakPolarHBondContact CG2-O 3.19Å
388	L	98.5	Very high	95.8	Very high	46 Å²	46	38.9 Å²	38.9	24%	0.241	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-32.2	-176.4	-60.6	175.3	0	0	0	112.3	F82 V346 E386 A402	F82-L388 HydrophobicContact CD1-CD1 3.89Å; F82-L388 HydrophobicContact CE1-CD1 4.23Å; V346-L388 VanDerWaalsContact CG1-O 3.3Å; V346-L388 WeakPolarHBondContact CG1-O 3.48Å; E386-L388 HydrophobicContact CG-CD2 3.59Å; E386-L388 HydrophobicContact CG-CG 4.2Å; L388-A402 PolarHBondContact N-O 2.72Å
389	D	98.6	Very high	95.8	Very high	33 Å²	33	37.7 Å²	37.7	18%	0.176	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	157.3	174.2	-173.2	19.3	0	0	0	110.8	C83 V84 H347 I387 T401 A402	C83-D389 WeakPolarHBondContact CA-OD2 3.2Å; V84-D389 HydrophobicContact CG1-CB 4.24Å; V84-D389 PolarHBondContact N-OD2 3.06Å; H347-D389 IonicContact ND1-OD1 3Å; I387-D389 VanDerWaalsContact CG2-O 3.22Å; I387-D389 WeakPolarHBondContact CG2-O 3.43Å; D389-T401 CarbonylContact O-C 3.56Å; D389-T401 WeakPolarHBondContact O-CA 3.23Å; D389-A402 HydrophobicContact CB-CB 4.45Å; D389-A402 PolarHBondContact N-O 2.77Å; D389-A402 PolarHBondContact O-N 2.82Å
390	F	98.4	Very high	96	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	153.8	169.9	85.9	-69.1	0	0	0	112.4	H347 Q349 S358 C360 L366 I387 V392 V400 T401	H347-F390 HydrophobicContact CB-CD1 3.94Å; H347-F390 HydrophobicContact CB-CE1 3.85Å; H347-F390 AromaticContact CG-CE1 3.87Å; H347-F390 AromaticContact ND1-CD1 3.55Å; H347-F390 AromaticContact ND1-CE1 3.45Å; H347-F390 WeakPolarHBondContact ND1-CE1 3.32Å; H347-F390 PolarHBondContact ND1-O 3.37Å; H347-F390 WeakPolarHBondContact O-CE1 3.49Å; Q349-F390 HydrophobicContact CB-CE2 4.16Å; Q349-F390 HydrophobicContact CB-CZ 3.81Å; S358-F390 WeakPolarHBondContact O-CZ 3.28Å; C360-F390 HydrophobicContact CB-CB 4.48Å; C360-F390 HydrophobicContact CB-CD1 3.68Å; C360-F390 HydrophobicContact CB-CE1 4.22Å; C360-F390 HydrophobicContact CB-CG 4.19Å; C360-F390 WeakPolarHBondContact SG-CD1 3.37Å; L366-F390 HydrophobicContact CD1-CD2 3.51Å; L366-F390 HydrophobicContact CD1-CE2 3.64Å; L366-F390 HydrophobicContact CD1-CG 4.08Å; L366-F390 HydrophobicContact CD1-CZ 4.31Å; I387-F390 HydrophobicContact CG2-CB 4.4Å; F390-V392 HydrophobicContact CD2-CG2 3.91Å; F390-V392 HydrophobicContact CE2-CG2 3.63Å; F390-V400 CarbonylContact C-O 3.52Å; F390-V400 VanDerWaalsContact CA-O 3.28Å; F390-V400 WeakPolarHBondContact CA-O 3.48Å; F390-T401 HydrophobicContact CB-CG2 3.79Å
391	T	97.9	Very high	96	Very high	24 Å²	24	33.6 Å²	33.6	15%	0.147	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.6	176.7	-174	0	0	0	0	111.4	V84 L86 A399 V400	V84-T391 HydrophobicContact CG1-CG2 4.22Å; V84-T391 HydrophobicContact CG2-CG2 4.08Å; L86-T391 HydrophobicContact CB-CG2 4.24Å; L86-T391 HydrophobicContact CD1-CG2 3.87Å; L86-T391 HydrophobicContact CG-CG2 3.72Å; T391-A399 CarbonylContact O-C 3.6Å; T391-A399 VanDerWaalsContact O-CA 3.3Å; T391-A399 WeakPolarHBondContact O-CA 3.46Å; T391-V400 HydrophobicContact CG2-CB 4.28Å; T391-V400 PolarHBondContact N-O 2.62Å; T391-V400 PolarHBondContact O-N 3.27Å
392	V	96.6	Very high	96.1	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.055	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.9	179	177.3	0	0	0	0	109.6	Q349 F390 A396 L398 A399 L413	Q349-V392 PolarHBondContact NE2-O 2.81Å; F390-V392 HydrophobicContact CD2-CG2 3.91Å; F390-V392 HydrophobicContact CE2-CG2 3.63Å; V392-A396 HydrophobicContact CG1-CB 3.77Å; V392-L398 WeakPolarHBondContact CA-O 3.47Å; V392-A399 HydrophobicContact CG2-CB 4.03Å; V392-L413 HydrophobicContact CG1-CD1 3.72Å; V392-L413 HydrophobicContact CG2-CD1 4.24Å
393	N	93.9	Very high	96.2	Very high	16 Å²	16	29.8 Å²	29.8	9%	0.086	18%	0.176	C	C	.	.			trans	-66.3	158.9	179	77.5	-21.3	0	0	0	112.7	L86 N91 E395 A396 S397 L398	L86-N393 HydrophobicContact CD1-CB 4.07Å; N91-N393 HydrophobicContact CB-CB 4.31Å; N91-N393 WeakPolarHBondContact OD1-CB 3.49Å; N393-E395 PolarHBondContact O-N 3.42Å; N393-E395 VanDerWaalsContact O-N 3.13Å; N393-A396 WeakPolarHBondContact O-CA 3.47Å; N393-A396 PolarHBondContact O-N 2.96Å; N393-A396 VanDerWaalsContact OD1-CA 3.26Å; N393-A396 WeakPolarHBondContact OD1-CA 3.36Å; N393-A396 PolarHBondContact OD1-N 3.42Å; N393-A396 VanDerWaalsContact OD1-N 3.09Å; N393-S397 PolarHBondContact ND2-OG 3.26Å; N393-S397 PolarHBondContact OD1-N 2.89Å; N393-L398 HydrophobicContact CB-CB 4.38Å; N393-L398 PolarHBondContact N-O 3.04Å; N393-L398 PolarHBondContact OD1-N 3.08Å; N393-L398 PolarHBondContact OD1-O 3.07Å
394	G	86.5	Confident	96.3	Very high	43 Å²	43	29.8 Å²	29.8	44%	0.443	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.7	-174.1	0	0	0	0	0	115.5	A396	G394-A396 VanDerWaalsContact C-N 3.32Å
395	E	89.8	Confident	96.3	Very high	131 Å²	131	25.3 Å²	25.3	61%	0.612	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-11	176.2	-61.1	-61.1	144.7	0	0	113.5	N393 R415 R418	N393-E395 PolarHBondContact O-N 3.42Å; N393-E395 VanDerWaalsContact O-N 3.13Å; E395-R415 PolarHBondContact O-NH2 2.98Å; E395-R418 PolarHBondContact O-NH1 3.37Å
396	A	91.9	Very high	96.4	Very high	7 Å²	7	27.1 Å²	27.1	6%	0.058	16%	0.159	C	C	.	.	S	Bend	trans	44.7	59.7	-168.5	0	0	0	0	0	112.4	E351 V392 N393 G394 R415	E351-A396 HydrophobicContact CB-CB 4.3Å; E351-A396 HydrophobicContact CG-CB 3.65Å; V392-A396 HydrophobicContact CG1-CB 3.77Å; N393-A396 WeakPolarHBondContact O-CA 3.47Å; N393-A396 PolarHBondContact O-N 2.96Å; N393-A396 VanDerWaalsContact OD1-CA 3.26Å; N393-A396 WeakPolarHBondContact OD1-CA 3.36Å; N393-A396 PolarHBondContact OD1-N 3.42Å; N393-A396 VanDerWaalsContact OD1-N 3.09Å; G394-A396 VanDerWaalsContact C-N 3.32Å; A396-R415 PolarHBondContact O-NH2 2.98Å
397	S	93.1	Very high	96.4	Very high	54 Å²	54	25.8 Å²	25.8	38%	0.378	15%	0.152	S	C	.	.	S	Bend	trans	-117.4	-8.7	171	73.3	0	0	0	0	112.6	N393 L413	N393-S397 PolarHBondContact ND2-OG 3.26Å; N393-S397 PolarHBondContact OD1-N 2.89Å; S397-L413 PolarHBondContact O-N 3.33Å
398	L	95.3	Very high	96.4	Very high	31 Å²	31	25.8 Å²	25.8	16%	0.162	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	135.1	-176.1	-171.4	118	0	0	0	110.3	L86 V108 V392 N393 V400 V410 F411	L86-L398 HydrophobicContact CD1-CD2 4.19Å; L86-L398 HydrophobicContact CD2-CD2 4.12Å; V108-L398 HydrophobicContact CG1-CD1 3.81Å; V108-L398 HydrophobicContact CG1-CD2 3.64Å; V108-L398 HydrophobicContact CG1-CG 4.38Å; V392-L398 WeakPolarHBondContact CA-O 3.47Å; N393-L398 HydrophobicContact CB-CB 4.38Å; N393-L398 PolarHBondContact N-O 3.04Å; N393-L398 PolarHBondContact OD1-N 3.08Å; N393-L398 PolarHBondContact OD1-O 3.07Å; L398-V400 HydrophobicContact CD2-CG2 3.97Å; L398-V410 HydrophobicContact CD1-CG1 3.63Å; L398-V410 HydrophobicContact CD2-CG1 4.23Å; L398-V410 HydrophobicContact CG-CG1 3.97Å; L398-F411 WeakPolarHBondContact CA-O 3.42Å
399	A	97.7	Very high	96.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152.6	165	0	0	0	0	0	110.6	L366 T391 V392 V410 F411 L413	L366-A399 HydrophobicContact CD2-CB 3.46Å; L366-A399 VanDerWaalsContact CD2-CB 3.46Å; T391-A399 CarbonylContact O-C 3.6Å; T391-A399 VanDerWaalsContact O-CA 3.3Å; T391-A399 WeakPolarHBondContact O-CA 3.46Å; V392-A399 HydrophobicContact CG2-CB 4.03Å; A399-V410 WeakPolarHBondContact O-CA 3.42Å; A399-F411 HydrophobicContact CB-CB 4.44Å; A399-F411 PolarHBondContact N-O 3.29Å; A399-F411 PolarHBondContact O-N 2.75Å; A399-L413 HydrophobicContact CB-CD1 4.13Å; A399-L413 HydrophobicContact CB-CD2 4Å; A399-L413 HydrophobicContact CB-CG 4.2Å
400	V	98.4	Very high	96.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.6	161.5	-164.5	0	0	0	0	108.5	F74 V84 L86 A94 F390 T391 L398 K409 V410	F74-V400 HydrophobicContact CE2-CG1 4.04Å; V84-V400 HydrophobicContact CG2-CB 3.92Å; V84-V400 HydrophobicContact CG2-CG1 3.7Å; L86-V400 HydrophobicContact CD1-CG2 4.34Å; L86-V400 HydrophobicContact CD2-CG2 3.89Å; L86-V400 HydrophobicContact CG-CG2 4.16Å; A94-V400 HydrophobicContact CB-CG2 4.44Å; F390-V400 CarbonylContact C-O 3.52Å; F390-V400 VanDerWaalsContact CA-O 3.28Å; F390-V400 WeakPolarHBondContact CA-O 3.48Å; T391-V400 HydrophobicContact CG2-CB 4.28Å; T391-V400 PolarHBondContact N-O 2.62Å; T391-V400 PolarHBondContact O-N 3.27Å; L398-V400 HydrophobicContact CD2-CG2 3.97Å; V400-K409 CarbonylContact C-O 3.57Å; V400-K409 VanDerWaalsContact CA-O 3.26Å; V400-K409 WeakPolarHBondContact CA-O 3.39Å; V400-K409 WeakPolarHBondContact CG1-O 3.48Å; V400-V410 HydrophobicContact CG1-CG2 4.24Å; V400-V410 HydrophobicContact CG2-CG1 4.49Å; V400-V410 HydrophobicContact CG2-CG2 4.31Å
401	T	98.8	Very high	96.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	157.9	179.4	51.2	0	0	0	0	110.4	L366 H383 I387 D389 F390 A408 K409 F411	L366-T401 HydrophobicContact CB-CG2 4.44Å; L366-T401 HydrophobicContact CD2-CG2 4.28Å; H383-T401 PolarHBondContact CD2-OG1 2.95Å; H383-T401 PolarHBondContact NE2-OG1 3.22Å; I387-T401 HydrophobicContact CD1-CG2 3.92Å; I387-T401 HydrophobicContact CG2-CG2 4.14Å; D389-T401 CarbonylContact O-C 3.56Å; D389-T401 WeakPolarHBondContact O-CA 3.23Å; F390-T401 HydrophobicContact CB-CG2 3.79Å; T401-A408 CarbonylContact O-C 3.53Å; T401-A408 WeakPolarHBondContact O-CA 3.39Å; T401-A408 WeakPolarHBondContact O-CB 3.48Å; T401-K409 PolarHBondContact N-O 3.27Å; T401-K409 PolarHBondContact O-N 3.42Å; T401-K409 VanDerWaalsContact O-N 3.1Å; T401-K409 PolarHBondContact OG1-O 2.88Å; T401-F411 HydrophobicContact CG2-CD2 4.23Å; T401-F411 HydrophobicContact CG2-CE2 3.96Å; T401-F411 WeakPolarHBondContact OG1-CE2 3.49Å
402	A	98.7	Very high	96.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.5	173.7	0	0	0	0	0	109.7	V81 V84 I387 L388 D389	V81-A402 HydrophobicContact CB-CB 3.93Å; V81-A402 HydrophobicContact CG1-CB 3.68Å; V81-A402 CarbonylContact O-C 3.57Å; V81-A402 WeakPolarHBondContact O-CB 3.47Å; V84-A402 HydrophobicContact CB-CB 4.08Å; V84-A402 HydrophobicContact CG1-CB 3.97Å; I387-A402 CarbonylContact C-O 3.58Å; I387-A402 WeakPolarHBondContact CA-O 3.48Å; I387-A402 WeakPolarHBondContact CG2-O 3.19Å; L388-A402 PolarHBondContact N-O 2.72Å; D389-A402 HydrophobicContact CB-CB 4.45Å; D389-A402 PolarHBondContact N-O 2.77Å; D389-A402 PolarHBondContact O-N 2.82Å
403	S	98.7	Very high	96	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.3	-167.8	177.1	0	0	0	0	114.3	V81 H383 A385 E386 D405 N406 Q407	V81-S403 PolarHBondContact N-O 2.81Å; V81-S403 PolarHBondContact O-N 3.09Å; H383-S403 WeakPolarHBondContact CE1-CB 3.5Å; H383-S403 WeakPolarHBondContact ND1-CB 3.3Å; A385-S403 PolarHBondContact O-OG 3.06Å; E386-S403 WeakPolarHBondContact O-CA 3.48Å; E386-S403 WeakPolarHBondContact O-CB 3.38Å; E386-S403 PolarHBondContact O-OG 2.83Å; S403-D405 WeakPolarHBondContact CB-OD1 3.28Å; S403-D405 PolarHBondContact O-N 3.36Å; S403-D405 PolarHBondContact OG-N 2.99Å; S403-D405 VanDerWaalsContact OG-N 3.15Å; S403-D405 PolarHBondContact OG-OD1 3.33Å; S403-N406 PolarHBondContact O-N 3.48Å; S403-Q407 PolarHBondContact N-O 2.89Å; S403-Q407 VanDerWaalsContact N-O 3.12Å
404	G	98.4	Very high	95.4	Very high	18 Å²	18	29.3 Å²	29.3	19%	0.186	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.5	166.7	0	0	0	0	0	114.5	E386 N406	E386-G404 PolarHBondContact O-N 3.32Å; G404-N406 PolarHBondContact O-N 2.92Å; G404-N406 VanDerWaalsContact O-N 3.16Å
405	D	98.1	Very high	94.4	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.064	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	9	174	73.5	6	0	0	0	114.3	H383 T384 A385 S403 Q407	H383-D405 VanDerWaalsContact CA-OD2 3.24Å; H383-D405 WeakPolarHBondContact CA-OD2 3.34Å; H383-D405 WeakPolarHBondContact CB-OD2 3.46Å; H383-D405 IonicContact CE1-OD1 3.92Å; H383-D405 IonicContact CE1-OD2 2.94Å; H383-D405 IonicContact CG-OD2 3.66Å; H383-D405 VanDerWaalsContact ND1-CG 3.28Å; H383-D405 IonicContact ND1-OD1 2.7Å; H383-D405 PolarHBondContact ND1-OD1 2.75Å; H383-D405 IonicContact ND1-OD2 2.69Å; H383-D405 PolarHBondContact ND1-OD2 2.86Å; T384-D405 PolarHBondContact N-OD2 2.95Å; T384-D405 VanDerWaalsContact N-OD2 3.1Å; T384-D405 WeakPolarHBondContact OG1-CB 3.31Å; A385-D405 HydrophobicContact CB-CB 3.99Å; S403-D405 WeakPolarHBondContact CB-OD1 3.28Å; S403-D405 PolarHBondContact O-N 3.36Å; S403-D405 PolarHBondContact OG-N 2.99Å; S403-D405 VanDerWaalsContact OG-N 3.15Å; S403-D405 PolarHBondContact OG-OD1 3.33Å; D405-Q407 PolarHBondContact O-N 2.88Å; D405-Q407 WeakPolarHBondContact OD1-CA 3.41Å; D405-Q407 WeakPolarHBondContact OD1-CB 3.21Å; D405-Q407 WeakPolarHBondContact OD1-CG 3.43Å; D405-Q407 PolarHBondContact OD1-N 2.81Å
406	N	98.3	Very high	92.7	Very high	65 Å²	65	29.2 Å²	29.2	35%	0.348	16%	0.164	S	C	.	.	S	Bend	trans	69.5	15	-177.3	-35.7	-91.4	0	0	0	114	G79 S80 S403 G404	G79-N406 WeakPolarHBondContact CA-OD1 3.49Å; G79-N406 PolarHBondContact N-OD1 2.74Å; G79-N406 WeakPolarHBondContact O-CA 3.47Å; G79-N406 WeakPolarHBondContact O-CB 3.45Å; G79-N406 PolarHBondContact O-OD1 3.3Å; S80-N406 PolarHBondContact N-OD1 3.15Å; S403-N406 PolarHBondContact O-N 3.48Å; G404-N406 PolarHBondContact O-N 2.92Å; G404-N406 VanDerWaalsContact O-N 3.16Å
407	Q	98.2	Very high	90.6	Very high	51 Å²	51	36.2 Å²	36.2	24%	0.238	20%	0.201	C	C	.	.			trans	-120.2	155.2	-178.9	-47.4	174.4	22.2	0	0	111.4	T73 H383 S403 D405	T73-Q407 HydrophobicContact CG2-CB 3.98Å; T73-Q407 HydrophobicContact CG2-CG 4.13Å; H383-Q407 PolarHBondContact CE1-O 2.62Å; S403-Q407 PolarHBondContact N-O 2.89Å; S403-Q407 VanDerWaalsContact N-O 3.12Å; D405-Q407 PolarHBondContact O-N 2.88Å; D405-Q407 WeakPolarHBondContact OD1-CA 3.41Å; D405-Q407 WeakPolarHBondContact OD1-CB 3.21Å; D405-Q407 WeakPolarHBondContact OD1-CG 3.43Å; D405-Q407 PolarHBondContact OD1-N 2.81Å
408	A	98.6	Very high	88.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.8	155.1	0	0	0	0	0	108.8	F74 T96 T401	F74-A408 HydrophobicContact CB-CB 4.07Å; F74-A408 WeakPolarHBondContact CB-O 3.35Å; F74-A408 HydrophobicContact CD2-CB 3.94Å; F74-A408 HydrophobicContact CG-CB 4.44Å; F74-A408 PolarHBondContact N-O 2.83Å; T96-A408 HydrophobicContact CG2-CB 3.71Å; T401-A408 CarbonylContact O-C 3.53Å; T401-A408 WeakPolarHBondContact O-CA 3.39Å; T401-A408 WeakPolarHBondContact O-CB 3.48Å
409	K	98.5	Very high	88	Confident	6 Å²	6	44 Å²	44	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	148.9	-177.4	-73.8	178.4	-177.4	-84.2	0	111.3	D68 T73 G382 V400 T401 F411	D68-K409 IonicContact OD1-NZ 3.72Å; D68-K409 IonicContact OD2-NZ 2.7Å; D68-K409 PolarHBondContact OD2-NZ 3.15Å; T73-K409 HydrophobicContact CG2-CG 4.21Å; T73-K409 PolarHBondContact OG1-NZ 2.78Å; G382-K409 WeakPolarHBondContact O-CE 3.36Å; V400-K409 CarbonylContact C-O 3.57Å; V400-K409 VanDerWaalsContact CA-O 3.26Å; V400-K409 WeakPolarHBondContact CA-O 3.39Å; V400-K409 WeakPolarHBondContact CG1-O 3.48Å; T401-K409 PolarHBondContact N-O 3.27Å; T401-K409 PolarHBondContact O-N 3.42Å; T401-K409 VanDerWaalsContact O-N 3.1Å; T401-K409 PolarHBondContact OG1-O 2.88Å; K409-F411 HydrophobicContact CB-CE2 3.72Å; K409-F411 HydrophobicContact CB-CZ 3.96Å; K409-F411 HydrophobicContact CD-CZ 4.35Å
410	V	98.1	Very high	87.4	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.1	-179	-173.5	0	0	0	0	109	S70 E71 L72 F74 V108 L398 A399 V400	S70-V410 WeakPolarHBondContact CA-O 3.45Å; E71-V410 PolarHBondContact N-O 2.87Å; L72-V410 HydrophobicContact CB-CB 4.05Å; L72-V410 HydrophobicContact CB-CG2 4.04Å; L72-V410 PolarHBondContact O-N 2.7Å; F74-V410 HydrophobicContact CD1-CG2 4.48Å; F74-V410 HydrophobicContact CE1-CG2 3.7Å; F74-V410 HydrophobicContact CE2-CG2 3.91Å; F74-V410 HydrophobicContact CZ-CG2 3.37Å; V108-V410 HydrophobicContact CG1-CG1 4.28Å; L398-V410 HydrophobicContact CD1-CG1 3.63Å; L398-V410 HydrophobicContact CD2-CG1 4.23Å; L398-V410 HydrophobicContact CG-CG1 3.97Å; A399-V410 WeakPolarHBondContact O-CA 3.42Å; V400-V410 HydrophobicContact CG1-CG2 4.24Å; V400-V410 HydrophobicContact CG2-CG1 4.49Å; V400-V410 HydrophobicContact CG2-CG2 4.31Å
411	F	97.4	Very high	86.8	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.3	-178.6	-63.2	-84	0	0	0	111	D69 L366 Y380 R381 L398 A399 T401 K409 L413	D69-F411 HydrophobicContact CB-CD1 4.19Å; D69-F411 HydrophobicContact CB-CE1 4.11Å; D69-F411 WeakPolarHBondContact O-CD1 3.38Å; L366-F411 HydrophobicContact CD2-CD2 4.33Å; Y380-F411 HydrophobicContact CD1-CB 4.26Å; Y380-F411 AromaticContact CD1-CD1 3.98Å; Y380-F411 HydrophobicContact CD1-CD1 3.98Å; Y380-F411 HydrophobicContact CD1-CG 4.43Å; Y380-F411 HydrophobicContact CG-CD1 4.25Å; R381-F411 WeakPolarHBondContact O-CE1 3.21Å; L398-F411 WeakPolarHBondContact CA-O 3.42Å; A399-F411 HydrophobicContact CB-CB 4.44Å; A399-F411 PolarHBondContact N-O 3.29Å; A399-F411 PolarHBondContact O-N 2.75Å; T401-F411 HydrophobicContact CG2-CD2 4.23Å; T401-F411 HydrophobicContact CG2-CE2 3.96Å; T401-F411 WeakPolarHBondContact OG1-CE2 3.49Å; K409-F411 HydrophobicContact CB-CE2 3.72Å; K409-F411 HydrophobicContact CB-CZ 3.96Å; K409-F411 HydrophobicContact CD-CZ 4.35Å; F411-L413 HydrophobicContact CB-CD2 4.35Å; F411-L413 PolarHBondContact O-N 2.86Å
412	C	95.2	Very high	86.1	Confident	50 Å²	50	51.7 Å²	51.7	34%	0.338	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	109.9	167.3	-174.8	0	0	0	0	109.1	E71 Q414	E71-C412 HydrophobicContact CG-CB 3.74Å; E71-C412 WeakPolarHBondContact OE1-CB 3.31Å; C412-Q414 PolarHBondContact O-N 3.43Å
413	L	93.3	Very high	85.3	Confident	9 Å²	9	54.9 Å²	54.9	5%	0.047	28%	0.278	C	S	.	.			trans	-78.5	87.2	-176.6	-59.3	-177.4	0	0	0	110.8	L366 L368 Y380 V392 S397 A399 F411	L366-L413 HydrophobicContact CD2-CD2 4.27Å; L368-L413 HydrophobicContact CD1-CD2 4.3Å; L368-L413 HydrophobicContact CD2-CD2 4.43Å; Y380-L413 HydrophobicContact CD2-CD2 4.21Å; Y380-L413 HydrophobicContact CE1-CD2 4.39Å; Y380-L413 HydrophobicContact CE2-CD2 3.76Å; Y380-L413 WeakPolarHBondContact OH-CA 3.29Å; V392-L413 HydrophobicContact CG1-CD1 3.72Å; V392-L413 HydrophobicContact CG2-CD1 4.24Å; S397-L413 PolarHBondContact O-N 3.33Å; A399-L413 HydrophobicContact CB-CD1 4.13Å; A399-L413 HydrophobicContact CB-CD2 4Å; A399-L413 HydrophobicContact CB-CG 4.2Å; F411-L413 HydrophobicContact CB-CD2 4.35Å; F411-L413 PolarHBondContact O-N 2.86Å
414	Q	80.1	Confident	84.5	Confident	135 Å²	135	58.6 Å²	58.6	63%	0.631	30%	0.296	S	S	*	.			trans	-71.5	156	172	-58.2	-167.3	23	0	0	110.9	Y380 C412	Y380-Q414 PolarHBondContact OH-N 3.36Å; Y380-Q414 PolarHBondContact OH-O 2.72Å; Y380-Q414 VanDerWaalsContact OH-O 3.13Å; C412-Q414 PolarHBondContact O-N 3.43Å
415	R	66.7	Low	83.5	Confident	60 Å²	60	61.5 Å²	61.5	23%	0.226	30%	0.304	C	S	.	.			trans	-135.1	140.1	171.5	-54.8	-173.2	-157.7	-165	9.4	108.7	E351 E395 A396 D417 R418	E351-R415 IonicContact OE1-CZ 3.86Å; E351-R415 IonicContact OE1-NH1 3.68Å; E351-R415 PolarHBondContact OE1-NH1 2.98Å; E351-R415 IonicContact OE1-NH2 2.75Å; E351-R415 PolarHBondContact OE1-NH2 3.11Å; E351-R415 IonicContact OE2-CZ 2.72Å; E351-R415 VanDerWaalsContact OE2-CZ 3.31Å; E351-R415 IonicContact OE2-NH1 2.72Å; E351-R415 PolarHBondContact OE2-NH1 3.13Å; E351-R415 IonicContact OE2-NH2 3.76Å; E351-R415 PolarHBondContact OE2-NH2 3.15Å; E351-R415 VanDerWaalsContact OE2-NH2 3.15Å; E395-R415 PolarHBondContact O-NH2 2.98Å; A396-R415 PolarHBondContact O-NH2 2.98Å; R415-D417 PolarHBondContact O-N 3.09Å; R415-D417 VanDerWaalsContact O-N 3.11Å; R415-R418 VanDerWaalsContact CZ-CZ 3.44Å; R415-R418 VanDerWaalsContact NH2-NH1 3.17Å
416	P	53.9	Low	82.3	Confident	111 Å²	111	65.3 Å²	65.3	72%	0.721	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.2	175.3	-26.8	35.8	0	0	0	114.9
417	D	47.1	Very low	81	Confident	155 Å²	155	65.3 Å²	65.3	83%	0.829	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	31.4	-166.2	-56.4	-49.1	0	0	0	114.9	R415	R415-D417 PolarHBondContact O-N 3.09Å; R415-D417 VanDerWaalsContact O-N 3.11Å
418	R	45.2	Very low	79.4	Confident	203 Å²	203	66.6 Å²	66.6	77%	0.766	33%	0.328	S	S	*	.			trans	-120.6	0	172	-92.1	-166.7	178.7	173.6	5.4	112.6	E351 E395 R415	E351-R418 IonicContact OE1-CZ 2.7Å; E351-R418 IonicContact OE1-NH2 2.75Å; E351-R418 PolarHBondContact OE1-NH2 2.77Å; E395-R418 PolarHBondContact O-NH1 3.37Å; R415-R418 VanDerWaalsContact CZ-CZ 3.44Å; R415-R418 VanDerWaalsContact NH2-NH1 3.17Å

Retrieved 418 of 418 residues in 484.6 ms (Link to these results)

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