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Galectin-3

Galactose-specific lectin which binds IgE. May mediate with the alpha-3, beta-1 integrin the stimulation by CSPG4 of endothelial cells migration. Together with DMBT1, required for terminal differentiation of columnar epithelial cells during early embryogenesis (By similarity). In the nucleus: acts as a pre-mRNA splicing factor. Involved in acute inflammatory responses including neutrophil activation and adhesion, chemoattraction of monocytes macrophages, opsonization of apoptotic neutrophils, and activation of mast cells. Together with TRIM16, coordinates the recognition of membrane damage with mobilization of the core autophagy regulators ATG16L1 and BECN1 in response to damaged endomembranes.

AlphaFold DB , UniProt , Accession P17931, Species HUMAN (Homo sapiens, Human), Gene LGALS3, Length 250 aa.

Structure Viewer

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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	37.3	Very low	45.9	Very low	231 Å²	231	108.4 Å²	108.4	100%	1.138	59%	0.593	S	S	*	*				0	130.7	0	-65	167.8	-173.2	0	0	105.8
2	A	39.2	Very low	45.8	Very low	99 Å²	99	106.5 Å²	106.5	82%	0.818	59%	0.594	S	S	*	*			trans	-96.9	102.1	-179.2	0	0	0	0	0	107.7	N4	A2-N4 PolarHBondContact O-N 3.44Å
3	D	44.7	Very low	45.4	Very low	156 Å²	156	102.5 Å²	102.5	83%	0.834	59%	0.591	S	S	*	*			trans	-70.9	107	-179.7	-66.6	-33.8	0	0	0	109	F5	D3-F5 PolarHBondContact O-N 3.5Å
4	N	46.2	Very low	45	Very low	144 Å²	144	103.4 Å²	103.4	77%	0.77	61%	0.606	S	S	*	*			trans	-70.2	122.9	-162.6	-167.7	44	0	0	0	110.2	A2 S6	A2-N4 PolarHBondContact O-N 3.44Å; N4-S6 PolarHBondContact O-N 3.12Å
5	F	48.3	Very low	44.5	Very low	49 Å²	49	101.1 Å²	101.1	22%	0.215	61%	0.614	C	S	.	*			trans	-64.4	104.6	164	-170.5	-114.3	0	0	0	107.1	D3 L7 A10 L131 D215	D3-F5 PolarHBondContact O-N 3.5Å; F5-L7 PolarHBondContact O-N 3.14Å; F5-A10 HydrophobicContact CE1-CB 3.84Å; F5-A10 HydrophobicContact CZ-CB 4.3Å; F5-L131 HydrophobicContact CD1-CD2 4.35Å; F5-D215 WeakPolarHBondContact CD2-OD1 3.44Å
6	S	47.7	Very low	44	Very low	43 Å²	43	103.2 Å²	103.2	30%	0.301	62%	0.621	S	S	.	*			trans	-65.8	104.3	-176.5	179.8	0	0	0	0	108.9	N4 H8 D9 A10	N4-S6 PolarHBondContact O-N 3.12Å; S6-H8 PolarHBondContact O-N 3.04Å; S6-D9 WeakPolarHBondContact CB-OD2 3.22Å; S6-D9 PolarHBondContact O-N 3.2Å; S6-D9 PolarHBondContact OG-OD2 2.93Å; S6-A10 PolarHBondContact O-N 3.36Å
7	L	49.7	Very low	43.6	Very low	85 Å²	85	103.1 Å²	103.1	45%	0.445	62%	0.623	S	S	.	*	H	α-helix	trans	-54.8	-23.4	174.8	-119.9	156.4	0	0	0	111.6	F5 A10 L11	F5-L7 PolarHBondContact O-N 3.14Å; L7-A10 PolarHBondContact O-N 2.94Å; L7-L11 HydrophobicContact CD2-CD1 3.62Å; L7-L11 HydrophobicContact CD2-CG 3.98Å; L7-L11 WeakPolarHBondContact O-CB 3.24Å; L7-L11 VanDerWaalsContact O-CG 3.23Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 2.95Å; L7-L11 VanDerWaalsContact O-N 3.13Å
8	H	46	Very low	43.2	Very low	149 Å²	149	104 Å²	104	69%	0.69	62%	0.624	S	S	*	*	H	α-helix	trans	-63.2	-41.5	171.4	-101.1	70.3	0	0	0	113.2	S6 A10 L11 S12	S6-H8 PolarHBondContact O-N 3.04Å; H8-A10 VanDerWaalsContact C-N 3.31Å; H8-A10 PolarHBondContact O-N 3.08Å; H8-L11 PolarHBondContact O-N 2.82Å; H8-S12 WeakPolarHBondContact O-CB 3.28Å; H8-S12 PolarHBondContact O-N 2.75Å; H8-S12 PolarHBondContact O-OG 2.85Å
9	D	53.6	Low	43	Very low	110 Å²	110	103.6 Å²	103.6	59%	0.588	62%	0.624	S	S	*	*	H	α-helix	trans	-73.2	-28	179	-60.6	-44.9	0	0	0	111.8	S6 L11	S6-D9 WeakPolarHBondContact CB-OD2 3.22Å; S6-D9 PolarHBondContact O-N 3.2Å; S6-D9 PolarHBondContact OG-OD2 2.93Å; D9-L11 VanDerWaalsContact C-N 3.35Å
10	A	47.1	Very low	42.8	Very low	23 Å²	23	103.8 Å²	103.8	19%	0.19	62%	0.618	C	S	.	*	H	α-helix	trans	-77.4	-16	174.2	0	0	0	0	0	114.4	F5 S6 L7 H8 K210	F5-A10 HydrophobicContact CE1-CB 3.84Å; F5-A10 HydrophobicContact CZ-CB 4.3Å; S6-A10 PolarHBondContact O-N 3.36Å; L7-A10 PolarHBondContact O-N 2.94Å; H8-A10 VanDerWaalsContact C-N 3.31Å; H8-A10 PolarHBondContact O-N 3.08Å; A10-K210 PolarHBondContact O-NZ 3.39Å
11	L	45.3	Very low	42.1	Very low	103 Å²	103	102.1 Å²	102.1	54%	0.539	62%	0.622	S	S	.	*	H	α-helix	trans	-113.8	-26.6	-177.8	-68.9	175.8	0	0	0	113.8	L7 H8 D9 G13 S14	L7-L11 HydrophobicContact CD2-CD1 3.62Å; L7-L11 HydrophobicContact CD2-CG 3.98Å; L7-L11 WeakPolarHBondContact O-CB 3.24Å; L7-L11 VanDerWaalsContact O-CG 3.23Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 2.95Å; L7-L11 VanDerWaalsContact O-N 3.13Å; H8-L11 PolarHBondContact O-N 2.82Å; D9-L11 VanDerWaalsContact C-N 3.35Å; L11-G13 PolarHBondContact O-N 3.36Å; L11-S14 VanDerWaalsContact O-CB 3.26Å; L11-S14 WeakPolarHBondContact O-CB 3.42Å; L11-S14 PolarHBondContact O-N 3.07Å; L11-S14 VanDerWaalsContact O-N 3.15Å; L11-S14 PolarHBondContact O-OG 3.25Å
12	S	44.3	Very low	42	Very low	86 Å²	86	101.2 Å²	101.2	60%	0.601	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-68.4	-15.5	179	62.3	0	0	0	0	113.4	H8 S14	H8-S12 WeakPolarHBondContact O-CB 3.28Å; H8-S12 PolarHBondContact O-N 2.75Å; H8-S12 PolarHBondContact O-OG 2.85Å; S12-S14 PolarHBondContact O-N 2.8Å
13	G	40.4	Very low	41.7	Very low	54 Å²	54	101.8 Å²	101.8	56%	0.557	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-70.8	-3.8	169.5	0	0	0	0	0	115.5	L11 G15 N16	L11-G13 PolarHBondContact O-N 3.36Å; G13-G15 PolarHBondContact O-N 2.99Å; G13-N16 PolarHBondContact O-N 3.33Å
14	S	40.8	Very low	41.1	Very low	115 Å²	115	97.4 Å²	97.4	80%	0.804	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-66	2.1	-176.5	52	0	0	0	0	115.9	L11 S12	L11-S14 VanDerWaalsContact O-CB 3.26Å; L11-S14 WeakPolarHBondContact O-CB 3.42Å; L11-S14 PolarHBondContact O-N 3.07Å; L11-S14 VanDerWaalsContact O-N 3.15Å; L11-S14 PolarHBondContact O-OG 3.25Å; S12-S14 PolarHBondContact O-N 2.8Å
15	G	37.2	Very low	40.4	Very low	70 Å²	70	95.2 Å²	95.2	72%	0.722	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-104.6	-3.9	177.5	0	0	0	0	0	116.2	G13 P17	G13-G15 PolarHBondContact O-N 2.99Å; G15-P17 WeakPolarHBondContact O-CD 3.42Å
16	N	36.8	Very low	39.5	Very low	134 Å²	134	105.3 Å²	105.3	72%	0.717	63%	0.632	S	S	*	*			trans	-104.8	103.2	-175.8	-136	2.7	0	0	0	110.8	G13 N18	G13-N16 PolarHBondContact O-N 3.33Å; N16-N18 PolarHBondContact O-N 2.72Å
17	P	37	Very low	38.9	Very low	102 Å²	102	106.8 Å²	106.8	66%	0.662	65%	0.654	S	S	*	*			trans	-61	139.3	170.8	27.3	-33.3	0	0	0	108.7	G15 P19	G15-P17 WeakPolarHBondContact O-CD 3.42Å; P17-P19 WeakPolarHBondContact O-CD 3.48Å
18	N	36.2	Very low	38.2	Very low	119 Å²	119	110.8 Å²	110.8	64%	0.636	68%	0.676	S	S	*	*			trans	-44	110.7	174.4	169.5	25.1	0	0	0	110	N16 Q20	N16-N18 PolarHBondContact O-N 2.72Å; N18-Q20 PolarHBondContact ND2-O 2.74Å; N18-Q20 VanDerWaalsContact ND2-O 3.14Å; N18-Q20 PolarHBondContact O-N 2.71Å; N18-Q20 PolarHBondContact OD1-N 2.75Å; N18-Q20 VanDerWaalsContact OD1-N 3.17Å
19	P	38.6	Very low	37.7	Very low	97 Å²	97	112.1 Å²	112.1	63%	0.63	68%	0.683	S	S	*	*	S	Bend	trans	-69.1	-5.5	-173.5	-19.2	32.3	0	0	0	113.3	P17	P17-P19 WeakPolarHBondContact O-CD 3.48Å
20	Q	38.8	Very low	37.1	Very low	106 Å²	106	112.8 Å²	112.8	50%	0.495	69%	0.693	S	S	.	*			trans	-116.3	72.7	-178.9	-94.2	68.6	42.8	0	0	112.1	N18 W22	N18-Q20 PolarHBondContact ND2-O 2.74Å; N18-Q20 VanDerWaalsContact ND2-O 3.14Å; N18-Q20 PolarHBondContact O-N 2.71Å; N18-Q20 PolarHBondContact OD1-N 2.75Å; N18-Q20 VanDerWaalsContact OD1-N 3.17Å; Q20-W22 VanDerWaalsContact C-N 3.27Å; Q20-W22 VanDerWaalsContact CG-CD1 3.5Å; Q20-W22 HydrophobicContact CG-CG 4.44Å; Q20-W22 PolarHBondContact O-N 2.82Å; Q20-W22 VanDerWaalsContact O-N 3.12Å
21	G	28.6	Very low	36.7	Very low	69 Å²	69	116.5 Å²	116.5	71%	0.711	72%	0.723	S	S	*	*			trans	-71.5	83.3	150.2	0	0	0	0	0	110.2	P23	G21-P23 WeakPolarHBondContact O-CD 3.25Å
22	W	35.4	Very low	36	Very low	212 Å²	212	115.6 Å²	115.6	80%	0.803	74%	0.739	S	S	*	*			trans	-92.1	109.1	173	-76.4	122.5	0	0	0	111.4	Q20	Q20-W22 VanDerWaalsContact C-N 3.27Å; Q20-W22 VanDerWaalsContact CG-CD1 3.5Å; Q20-W22 HydrophobicContact CG-CG 4.44Å; Q20-W22 PolarHBondContact O-N 2.82Å; Q20-W22 VanDerWaalsContact O-N 3.12Å
23	P	34.1	Very low	35.7	Very low	111 Å²	111	116.2 Å²	116.2	72%	0.721	75%	0.75	S	S	*	*			trans	-79.2	148.2	162.8	33.5	-33.5	0	0	0	111	G21	G21-P23 WeakPolarHBondContact O-CD 3.25Å
24	G	32	Very low	35.5	Very low	64 Å²	64	117.7 Å²	117.7	66%	0.66	77%	0.765	S	S	*	*	S	Bend	trans	66.6	110.4	144.5	0	0	0	0	0	120.2
25	A	29.7	Very low	35.3	Very low	99 Å²	99	115.4 Å²	115.4	82%	0.818	76%	0.759	S	S	*	*			trans	49.3	95.4	138.3	0	0	0	0	0	119.8
26	W	31	Very low	35.5	Very low	261 Å²	261	123.1 Å²	123.1	99%	0.989	77%	0.768	S	S	*	*			trans	-140.3	131.2	151	-79.5	94.2	0	0	0	111.7
27	G	34.3	Very low	35.6	Very low	74 Å²	74	122.8 Å²	122.8	76%	0.763	77%	0.773	S	S	*	*			trans	92.2	104.7	160.1	0	0	0	0	0	117.1	Q29	G27-Q29 PolarHBondContact O-N 2.68Å
28	N	35.2	Very low	35.8	Very low	169 Å²	169	121.5 Å²	121.5	90%	0.904	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-49.5	132.1	171.8	-75.5	-26.5	0	0	0	113.8
29	Q	35.5	Very low	35.9	Very low	177 Å²	177	120.8 Å²	120.8	83%	0.827	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-86.2	138	143.9	-72.8	-179.9	-90.2	0	0	108.5	G27 A31	G27-Q29 PolarHBondContact O-N 2.68Å; Q29-A31 PolarHBondContact O-N 3.05Å
30	P	40.6	Very low	35.8	Very low	124 Å²	124	120.5 Å²	120.5	81%	0.805	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-63.1	131.9	166.2	-17.4	31	0	0	0	109.7
31	A	37.8	Very low	36	Very low	100 Å²	100	125.9 Å²	125.9	83%	0.826	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-64.1	142	171.3	0	0	0	0	0	110.2	Q29	Q29-A31 PolarHBondContact O-N 3.05Å
32	G	31.9	Very low	36.7	Very low	84 Å²	84	128.3 Å²	128.3	87%	0.866	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-69.4	133.2	171.7	0	0	0	0	0	111.2
33	A	37.3	Very low	37	Very low	100 Å²	100	122 Å²	122	83%	0.826	81%	0.811	S	S	*	*			trans	-146.9	117.9	162.5	0	0	0	0	0	108.6
34	G	36.5	Very low	37.2	Very low	85 Å²	85	121.3 Å²	121.3	88%	0.876	81%	0.814	S	S	*	*			trans	-85	160.8	163.7	0	0	0	0	0	110.4
35	G	36.3	Very low	37.7	Very low	67 Å²	67	129.4 Å²	129.4	69%	0.691	83%	0.827	S	S	*	*			trans	114.8	77.6	167.3	0	0	0	0	0	116
36	Y	41.8	Very low	38.2	Very low	232 Å²	232	130.6 Å²	130.6	91%	0.91	83%	0.826	S	S	*	*			trans	41.6	154	138.2	-61.8	-71.5	0	0	0	123
37	P	39.4	Very low	38.7	Very low	126 Å²	126	122.1 Å²	122.1	82%	0.818	82%	0.82	S	S	*	*			trans	-110.9	164.7	-144.9	41.2	-35.1	0	0	0	116
38	G	40	Very low	39.1	Very low	76 Å²	76	127.9 Å²	127.9	78%	0.784	83%	0.827	S	S	*	*			trans	-174.8	149.5	164.3	0	0	0	0	0	114.5
39	A	40.2	Very low	39.6	Very low	104 Å²	104	124 Å²	124	86%	0.86	82%	0.818	S	S	*	*			trans	69.8	97.4	166.6	0	0	0	0	0	120.3
40	S	36.1	Very low	40.6	Very low	91 Å²	91	121.1 Å²	121.1	64%	0.636	82%	0.815	S	S	*	*			trans	-36.8	147.4	144.9	48.9	0	0	0	0	115.5
41	Y	42.6	Very low	41.3	Very low	219 Å²	219	121.4 Å²	121.4	86%	0.859	82%	0.817	S	S	*	*				-166.5	168.1	70.1	-99	-86.8	0	0	0	111.5
42	P	42.2	Very low	41.6	Very low	120 Å²	120	119.9 Å²	119.9	78%	0.779	81%	0.811	S	S	*	*			trans	-102.5	161.6	-164.5	39.5	-32.9	0	0	0	115.3
43	G	42.2	Very low	42	Very low	78 Å²	78	120.8 Å²	120.8	80%	0.804	81%	0.81	S	S	*	*			trans	-127.3	125.7	166.2	0	0	0	0	0	111
44	A	39.5	Very low	42.5	Very low	97 Å²	97	126.7 Å²	126.7	80%	0.802	81%	0.813	S	S	*	*			trans	-96.8	139	178.2	0	0	0	0	0	111.2
45	Y	42.2	Very low	42.7	Very low	235 Å²	235	128.8 Å²	128.8	92%	0.922	81%	0.81	S	S	*	*			trans	-131.6	127.8	161.6	-88.8	-83.9	0	0	0	109.3
46	P	40.6	Very low	43.2	Very low	123 Å²	123	129.2 Å²	129.2	80%	0.799	82%	0.815	S	S	*	*			trans	-93.9	151	-177.7	35.6	-33.6	0	0	0	112.9
47	G	40.6	Very low	43.3	Very low	83 Å²	83	127.5 Å²	127.5	86%	0.856	82%	0.815	S	S	*	*			trans	77.3	96.2	145.1	0	0	0	0	0	118.2
48	Q	42.4	Very low	43.6	Very low	195 Å²	195	125.8 Å²	125.8	91%	0.911	81%	0.812	S	S	*	*			trans	-134.7	117.7	146.3	-159.2	170.1	14.2	0	0	108.9
49	A	47.2	Very low	44.5	Very low	88 Å²	88	127.9 Å²	127.9	73%	0.727	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-78	151.5	179.7	0	0	0	0	0	111.2
50	P	55.4	Low	45.3	Very low	116 Å²	116	129.1 Å²	129.1	75%	0.753	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-69.9	151.2	177.6	28.8	-34.2	0	0	0	111.7
51	P	56.1	Low	45.6	Very low	130 Å²	130	127.8 Å²	127.8	84%	0.844	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-59.4	147.9	175.2	-23.7	34.6	0	0	0	113.1
52	G	44.4	Very low	45.6	Very low	68 Å²	68	122.3 Å²	122.3	70%	0.701	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-66.3	156.4	-173.4	0	0	0	0	0	115.2
53	A	39.7	Very low	45.9	Very low	103 Å²	103	127.6 Å²	127.6	85%	0.851	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-70.9	138.5	177.6	0	0	0	0	0	112.4
54	Y	47.2	Very low	45.8	Very low	225 Å²	225	130 Å²	130	88%	0.882	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-71.9	128.9	169.5	-71.4	-95.7	0	0	0	110.6
55	P	41.8	Very low	45.9	Very low	128 Å²	128	129.3 Å²	129.3	83%	0.831	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-86.6	132.2	167	33.1	-29.8	0	0	0	110.3
56	G	45.1	Very low	46	Very low	76 Å²	76	122.8 Å²	122.8	78%	0.784	82%	0.816	S	S	*	*			trans	122.9	78.1	159.8	0	0	0	0	0	117.2
57	Q	44.7	Very low	46.1	Very low	196 Å²	196	122.4 Å²	122.4	92%	0.916	81%	0.814	S	S	*	*			trans	-153.8	114.5	133.6	-124.7	172.8	-5.4	0	0	109.8
58	A	46.5	Very low	46.1	Very low	91 Å²	91	122.3 Å²	122.3	75%	0.752	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-78.7	137.9	173.3	0	0	0	0	0	109.6
59	P	57.6	Low	46	Very low	119 Å²	119	116.8 Å²	116.8	77%	0.773	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-74.3	136	173.2	30.3	-32.8	0	0	0	110.4	G61	P59-G61 PolarHBondContact O-N 2.92Å
60	P	56.4	Low	46.2	Very low	131 Å²	131	123.4 Å²	123.4	85%	0.851	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69.2	127	172.5	-19.6	32.7	0	0	0	112.4
61	G	44.3	Very low	45.4	Very low	63 Å²	63	124.3 Å²	124.3	65%	0.649	81%	0.814	S	S	*	*			trans	45.3	102.3	144.4	0	0	0	0	0	119.3	P59 Y63	P59-G61 PolarHBondContact O-N 2.92Å; G61-Y63 PolarHBondContact O-N 2.76Å
62	A	41.1	Very low	44.7	Very low	104 Å²	104	121.8 Å²	121.8	86%	0.86	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-66.7	122.4	157.4	0	0	0	0	0	110.4
63	Y	48.1	Very low	45	Very low	231 Å²	231	123.1 Å²	123.1	91%	0.906	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-86.3	121.9	164.9	-81.9	-92.5	0	0	0	109.8	G61	G61-Y63 PolarHBondContact O-N 2.76Å
64	P	41.3	Very low	45.2	Very low	128 Å²	128	124.2 Å²	124.2	83%	0.831	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-84.2	125.5	167.6	32.3	-29.8	0	0	0	109.8
65	G	40.5	Very low	45.1	Very low	82 Å²	82	117.8 Å²	117.8	85%	0.845	81%	0.808	S	S	*	*			trans	177.5	66.4	-177.3	0	0	0	0	0	117
66	A	45.4	Very low	45.2	Very low	98 Å²	98	117.4 Å²	117.4	81%	0.81	81%	0.805	S	S	*	*			trans	-153.5	160.9	161	0	0	0	0	0	109.4
67	P	43.1	Very low	45	Very low	116 Å²	116	117.3 Å²	117.3	75%	0.753	80%	0.804	S	S	*	*			cis	-125	144.8	-9.4	34.7	-18.8	0	0	0	113.6	A69	P67-A69 PolarHBondContact O-N 3.08Å
68	G	40	Very low	44.7	Very low	81 Å²	81	114 Å²	114	84%	0.835	80%	0.797	S	S	*	*			trans	-87.2	96	167.2	0	0	0	0	0	111.3
69	A	41.1	Very low	45	Very low	79 Å²	79	120 Å²	120	65%	0.653	80%	0.801	S	S	*	*			trans	-125.2	113.3	173.9	0	0	0	0	0	110.4	P67	P67-A69 PolarHBondContact O-N 3.08Å
70	Y	50.6	Low	44.4	Very low	226 Å²	226	120 Å²	120	89%	0.886	80%	0.802	S	S	*	*			trans	-136.5	141.6	167.7	-59.2	-70	0	0	0	110.2
71	P	39.4	Very low	43.8	Very low	135 Å²	135	117 Å²	117	88%	0.877	79%	0.794	S	S	*	*			trans	-113.4	165.3	-163.5	41	-32.3	0	0	0	114.7
72	G	40	Very low	44.6	Very low	77 Å²	77	120 Å²	120	79%	0.794	80%	0.803	S	S	*	*			trans	153.1	139.8	164.2	0	0	0	0	0	110.6
73	A	52.1	Low	45	Very low	96 Å²	96	120 Å²	120	79%	0.793	79%	0.794	S	S	*	*			cis	-167	173.3	-4.7	0	0	0	0	0	105.7
74	P	42.7	Very low	44.9	Very low	127 Å²	127	114.8 Å²	114.8	83%	0.825	79%	0.791	S	S	*	*			trans	-94.3	166.3	-148.3	37	-38.4	0	0	0	117.3
75	A	45.4	Very low	45.4	Very low	89 Å²	89	112.1 Å²	112.1	74%	0.736	79%	0.787	S	S	*	*			trans	-63.7	178.1	157.7	0	0	0	0	0	111.1
76	P	43.8	Very low	45.6	Very low	121 Å²	121	114.9 Å²	114.9	79%	0.786	79%	0.79	S	S	*	*			cis	-141.4	176.3	17.5	42.5	-22.8	0	0	0	117.3
77	G	40.6	Very low	45.5	Very low	73 Å²	73	114.1 Å²	114.1	75%	0.753	79%	0.792	S	S	*	*			trans	-129.5	103.7	169.4	0	0	0	0	0	112
78	V	38.9	Very low	45.2	Very low	127 Å²	127	112 Å²	112	77%	0.77	78%	0.784	S	S	*	*			trans	-111.8	133.9	173.2	175.8	0	0	0	0	108.5
79	Y	53.1	Low	45.6	Very low	216 Å²	216	118.7 Å²	118.7	85%	0.847	79%	0.786	S	S	*	*			trans	-122.3	153.5	168	-75.4	-81.2	0	0	0	110.5
80	P	44.7	Very low	45.8	Very low	121 Å²	121	120.7 Å²	120.7	79%	0.786	79%	0.792	S	S	*	*			trans	-104.6	163	-150	2.3	20.6	0	0	0	115.3
81	G	43.6	Very low	45.3	Very low	67 Å²	67	115.7 Å²	115.7	69%	0.691	79%	0.79	S	S	*	*			trans	-80.3	-143.2	158.7	0	0	0	0	0	111.4
82	P	60.8	Low	45.6	Very low	126 Å²	126	115 Å²	115	82%	0.818	79%	0.788	S	S	*	*			cis	-121.5	-131.5	1.6	29.4	-2.9	0	0	0	108.6
83	P	50.4	Low	45.6	Very low	105 Å²	105	114.5 Å²	114.5	68%	0.682	78%	0.783	S	S	*	*			cis	-139.9	156.1	-16.1	42.4	-24	0	0	0	118.6
84	S	46.2	Very low	45.4	Very low	120 Å²	120	119 Å²	119	84%	0.839	79%	0.788	S	S	*	*			trans	31.9	134.7	141.3	67.6	0	0	0	0	124.7
85	G	50.7	Low	45.4	Very low	72 Å²	72	117.9 Å²	117.9	74%	0.742	78%	0.781	S	S	*	*			trans	-163.2	137.3	152.3	0	0	0	0	0	111.7
86	P	45.1	Very low	45.1	Very low	140 Å²	140	119.3 Å²	119.3	91%	0.909	79%	0.785	S	S	*	*			trans	-116.5	168.2	-158.7	41.7	-32.8	0	0	0	116.3
87	G	42.9	Very low	45	Very low	83 Å²	83	118.5 Å²	118.5	86%	0.856	79%	0.789	S	S	*	*			trans	165.9	106.6	162.1	0	0	0	0	0	115.7
88	A	36.9	Very low	44.6	Very low	72 Å²	72	121.9 Å²	121.9	60%	0.595	80%	0.795	S	S	*	*			trans	-104.4	151.4	167.9	0	0	0	0	0	110.3
89	Y	48.6	Very low	44.5	Very low	221 Å²	221	119.3 Å²	119.3	87%	0.867	79%	0.794	S	S	*	*				148.8	178.6	104.2	-74	-66.5	0	0	0	107.3
90	P	44.8	Very low	43.7	Very low	121 Å²	121	114 Å²	114	79%	0.786	80%	0.795	S	S	*	*				-128.5	-172.5	-57.8	39.6	-24	0	0	0	112.8
91	S	40.9	Very low	43.7	Very low	121 Å²	121	118.5 Å²	118.5	85%	0.846	80%	0.798	S	S	*	*			trans	-66.5	137.3	-178.2	171.7	0	0	0	0	117
92	S	44.8	Very low	43.8	Very low	120 Å²	120	121.1 Å²	121.1	84%	0.839	80%	0.803	S	S	*	*			trans	-162.2	151	144.6	61.8	0	0	0	0	108.8
93	G	40.5	Very low	42.9	Very low	66 Å²	66	120.1 Å²	120.1	68%	0.68	81%	0.805	S	S	*	*			cis	179.2	147.2	-13.7	0	0	0	0	0	111.4
94	Q	48.7	Very low	42.4	Very low	192 Å²	192	121.5 Å²	121.5	90%	0.897	81%	0.812	S	S	*	*			trans	64.3	164.7	164.6	-81.3	177.7	-117.9	0	0	119.8
95	P	43.2	Very low	42.2	Very low	103 Å²	103	118 Å²	118	67%	0.669	79%	0.794	S	S	*	*			cis	-131.5	163.5	-39.1	33.9	-17.4	0	0	0	114.3
96	S	38.9	Very low	41.6	Very low	119 Å²	119	120.8 Å²	120.8	83%	0.832	80%	0.799	S	S	*	*			trans	-19.8	127.6	164.9	52.5	0	0	0	0	119.5
97	A	40.6	Very low	41.8	Very low	104 Å²	104	124.4 Å²	124.4	86%	0.86	80%	0.796	S	S	*	*			trans	-140.4	135.3	149.2	0	0	0	0	0	111
98	T	33.1	Very low	41.7	Very low	143 Å²	143	124 Å²	124	88%	0.877	79%	0.793	S	S	*	*			trans	-63.6	142.9	-173.9	47.4	0	0	0	0	115.6
99	G	35.3	Very low	42.4	Very low	73 Å²	73	124.6 Å²	124.6	75%	0.753	80%	0.798	S	S	*	*			trans	77.4	84.9	145.5	0	0	0	0	0	117.5
100	A	36.7	Very low	42.3	Very low	105 Å²	105	118.8 Å²	118.8	87%	0.868	79%	0.787	S	S	*	*			trans	-115.7	99.8	166.8	0	0	0	0	0	110.6
101	Y	45	Very low	42.9	Very low	215 Å²	215	118.7 Å²	118.7	84%	0.843	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-68.5	147.9	164.7	-64.8	-90.6	0	0	0	109.4	A103	Y101-A103 PolarHBondContact O-N 2.87Å
102	P	45.7	Very low	44.2	Very low	123 Å²	123	114.9 Å²	114.9	80%	0.799	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-61.5	131.6	177	-20.3	32.4	0	0	0	111	T104	P102-T104 PolarHBondContact O-N 3.31Å
103	A	41.4	Very low	45.9	Very low	104 Å²	104	114.1 Å²	114.1	86%	0.86	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-62.6	124.2	-176.7	0	0	0	0	0	112	Y101 G105	Y101-A103 PolarHBondContact O-N 2.87Å; A103-G105 PolarHBondContact O-N 3.31Å
104	T	40.6	Very low	48.5	Very low	135 Å²	135	112.4 Å²	112.4	83%	0.828	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-75.6	116.4	171.6	50.7	0	0	0	0	110.1	P102	P102-T104 PolarHBondContact O-N 3.31Å
105	G	42.7	Very low	50.8	Low	46 Å²	46	109.8 Å²	109.8	47%	0.474	73%	0.734	S	S	.	*	P	Polyproline II helix	trans	-68.9	164.6	170.3	0	0	0	0	0	112.6	A103 Y107	A103-G105 PolarHBondContact O-N 3.31Å; G105-Y107 PolarHBondContact O-N 3.4Å
106	P	37.2	Very low	53.4	Low	131 Å²	131	106.7 Å²	106.7	85%	0.851	71%	0.713	S	S	*	*	S	Bend	trans	-65.6	-4.1	-173.9	-22.1	34.4	0	0	0	116.1
107	Y	48.9	Very low	56.2	Low	215 Å²	215	106.1 Å²	106.1	84%	0.843	71%	0.707	S	S	*	*	S	Bend	trans	-130.3	103.5	171.3	-64.8	-85.3	0	0	0	107.3	G105 A109	G105-Y107 PolarHBondContact O-N 3.4Å; Y107-A109 PolarHBondContact O-N 3.33Å
108	G	41.6	Very low	59	Low	76 Å²	76	104.2 Å²	104.2	78%	0.784	68%	0.677	S	S	*	*			trans	-73.8	50.9	-166.9	0	0	0	0	0	116
109	A	52.1	Low	62.1	Low	84 Å²	84	100.8 Å²	100.8	69%	0.694	65%	0.654	S	S	*	*			trans	-82.8	122.2	165.7	0	0	0	0	0	109.2	Y107 A111	Y107-A109 PolarHBondContact O-N 3.33Å; A109-A111 PolarHBondContact O-N 3.17Å
110	P	45.8	Very low	65.1	Low	99 Å²	99	98 Å²	98	64%	0.643	62%	0.621	S	S	*	*			trans	-65.5	120.7	174.7	26.2	-32.4	0	0	0	109.6	G112 L114	P110-G112 PolarHBondContact O-N 2.99Å; P110-L114 HydrophobicContact CG-CD2 4.39Å
111	A	56.9	Low	68	Low	119 Å²	119	96.4 Å²	96.4	98%	0.983	60%	0.603	S	S	*	*	S	Bend	trans	-77.1	29.9	-177.3	0	0	0	0	0	114	A109	A109-A111 PolarHBondContact O-N 3.17Å
112	G	68.7	Low	70.6	Confident	40 Å²	40	86.2 Å²	86.2	41%	0.412	56%	0.562	S	S	.	*	S	Bend	trans	-125.3	164.1	178.3	0	0	0	0	0	111.4	P110 L114	P110-G112 PolarHBondContact O-N 2.99Å; G112-L114 PolarHBondContact O-N 3.25Å
113	P	79.7	Confident	73	Confident	104 Å²	104	84.9 Å²	84.9	68%	0.675	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-58.6	138.7	176.6	26.3	-34.5	0	0	0	110.6	I115	P113-I115 PolarHBondContact O-N 3.33Å
114	L	95.5	Very high	75.7	Confident	30 Å²	30	83.2 Å²	83.2	16%	0.157	55%	0.547	C	S	.	.	B	Isolated β-bridge	trans	-71.5	131.1	179.1	-63.2	-179.7	0	0	0	109.6	P110 G112 V116 Y118 L242	P110-L114 HydrophobicContact CG-CD2 4.39Å; G112-L114 PolarHBondContact O-N 3.25Å; L114-V116 PolarHBondContact O-N 2.81Å; L114-Y118 HydrophobicContact CB-CD2 4.03Å; L114-Y118 HydrophobicContact CB-CE2 4.27Å; L114-Y118 HydrophobicContact CD1-CD2 4.34Å; L114-Y118 HydrophobicContact CD1-CE1 4.24Å; L114-Y118 HydrophobicContact CD1-CE2 4Å; L114-Y118 HydrophobicContact CD2-CE2 3.97Å; L114-Y118 HydrophobicContact CG-CE2 4.31Å; L114-L242 HydrophobicContact CB-CB 4.07Å; L114-L242 HydrophobicContact CB-CD2 3.76Å; L114-L242 HydrophobicContact CB-CG 3.9Å; L114-L242 HydrophobicContact CD1-CD2 3.91Å; L114-L242 HydrophobicContact CD1-CG 4.05Å; L114-L242 HydrophobicContact CG-CD2 4.49Å; L114-L242 PolarHBondContact N-O 3.47Å
115	I	97.5	Very high	78.5	Confident	137 Å²	137	77 Å²	77	70%	0.703	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-67.8	132.8	179.5	-58.8	-59.3	0	0	0	110	P113 P117 Y118	P113-I115 PolarHBondContact O-N 3.33Å; I115-P117 CarbonylContact O-C 3.57Å; I115-Y118 WeakPolarHBondContact O-CA 3.07Å; I115-Y118 WeakPolarHBondContact O-CB 3.39Å; I115-Y118 PolarHBondContact O-N 3.13Å
116	V	98.1	Very high	81.1	Confident	38 Å²	38	74.9 Å²	74.9	23%	0.23	49%	0.488	C	S	.	.	S	Bend	trans	-108	130.1	178	-178.5	0	0	0	0	108.6	L114 I240 L242	L114-V116 PolarHBondContact O-N 2.81Å; V116-I240 HydrophobicContact CG1-CG1 4.35Å; V116-I240 HydrophobicContact CG2-CD1 4.48Å; V116-I240 HydrophobicContact CG2-CG1 4.04Å; V116-L242 HydrophobicContact CG2-CB 3.67Å
117	P	98.3	Very high	84	Confident	108 Å²	108	72.1 Å²	72.1	70%	0.701	47%	0.468	S	S	*	.	S	Bend	cis	-67.6	133.2	3.9	-19.7	33.4	0	0	0	114	I115 I236	I115-P117 CarbonylContact O-C 3.57Å; P117-I236 CarbonylContact C-O 3.54Å; P117-I236 VanDerWaalsContact CA-O 3.31Å; P117-I236 WeakPolarHBondContact CA-O 3.26Å
118	Y	98.4	Very high	86.4	Confident	63 Å²	63	64.1 Å²	64.1	25%	0.247	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.7	176.7	-173.5	-104.8	0	0	0	110.1	L114 I115 L120 G235 I236 L242 A245	L114-Y118 HydrophobicContact CB-CD2 4.03Å; L114-Y118 HydrophobicContact CB-CE2 4.27Å; L114-Y118 HydrophobicContact CD1-CD2 4.34Å; L114-Y118 HydrophobicContact CD1-CE1 4.24Å; L114-Y118 HydrophobicContact CD1-CE2 4Å; L114-Y118 HydrophobicContact CD2-CE2 3.97Å; L114-Y118 HydrophobicContact CG-CE2 4.31Å; I115-Y118 WeakPolarHBondContact O-CA 3.07Å; I115-Y118 WeakPolarHBondContact O-CB 3.39Å; I115-Y118 PolarHBondContact O-N 3.13Å; Y118-L120 HydrophobicContact CD1-CB 4.34Å; Y118-L120 HydrophobicContact CE1-CB 3.91Å; Y118-L120 HydrophobicContact CE1-CD1 4.4Å; Y118-G235 CarbonylContact O-C 3.48Å; Y118-G235 WeakPolarHBondContact O-CA 3.33Å; Y118-I236 HydrophobicContact CD1-CD1 4.24Å; Y118-I236 PolarHBondContact N-O 3.23Å; Y118-I236 PolarHBondContact O-N 2.81Å; Y118-L242 VanDerWaalsContact CB-CD2 3.46Å; Y118-L242 HydrophobicContact CD1-CD2 3.82Å; Y118-L242 HydrophobicContact CD2-CD2 4.37Å; Y118-L242 HydrophobicContact CG-CD2 3.63Å; Y118-A245 HydrophobicContact CD1-CB 4.12Å; Y118-A245 HydrophobicContact CE1-CB 3.92Å
119	N	98.2	Very high	89.1	Confident	72 Å²	72	67.9 Å²	67.9	39%	0.385	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	108.4	173.9	176.2	94.3	0	0	0	109.4	P121	N119-P121 WeakPolarHBondContact O-CD 3.45Å
120	L	98.3	Very high	91.3	Very high	13 Å²	13	64.2 Å²	64.2	7%	0.068	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	115.6	171.5	-179.5	61.9	0	0	0	109	Y118 L122 I132 L234 A245 Y247	Y118-L120 HydrophobicContact CD1-CB 4.34Å; Y118-L120 HydrophobicContact CE1-CB 3.91Å; Y118-L120 HydrophobicContact CE1-CD1 4.4Å; L120-L122 HydrophobicContact CD2-CD2 4.19Å; L120-L122 HydrophobicContact CG-CD2 4.19Å; L120-I132 HydrophobicContact CD2-CG2 4.36Å; L120-L234 HydrophobicContact CB-CB 4.29Å; L120-L234 HydrophobicContact CD2-CD2 4.4Å; L120-L234 PolarHBondContact N-O 3.12Å; L120-L234 PolarHBondContact O-N 2.9Å; L120-A245 HydrophobicContact CD2-CB 4.27Å; L120-Y247 HydrophobicContact CD2-CD1 4.28Å
121	P	98.5	Very high	93.9	Very high	73 Å²	73	60.1 Å²	60.1	47%	0.474	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	143.2	170.7	-16.6	32.2	0	0	0	110.5	N119	N119-P121 WeakPolarHBondContact O-CD 3.45Å
122	L	98.5	Very high	95.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	33%	0.327	C	S	.	.			trans	-123.8	80.2	174.3	-56	174.1	0	0	0	108	L120 G124 G125 V126 M130 F149 S232 L234 Y247	L120-L122 HydrophobicContact CD2-CD2 4.19Å; L120-L122 HydrophobicContact CG-CD2 4.19Å; L122-G124 PolarHBondContact O-N 3.26Å; L122-G125 WeakPolarHBondContact O-CA 3.14Å; L122-G125 PolarHBondContact O-N 2.88Å; L122-V126 HydrophobicContact CD1-CG1 3.78Å; L122-M130 HydrophobicContact CB-CE 4.49Å; L122-M130 HydrophobicContact CD2-CE 3.84Å; L122-F149 HydrophobicContact CD1-CD1 4.26Å; L122-F149 HydrophobicContact CD1-CE1 4.37Å; L122-S232 PolarHBondContact N-O 3.06Å; L122-S232 WeakPolarHBondContact O-CA 3.26Å; L122-L234 HydrophobicContact CD1-CB 4.04Å; L122-Y247 HydrophobicContact CD2-CD1 3.63Å; L122-Y247 HydrophobicContact CD2-CE1 3.98Å; L122-Y247 HydrophobicContact CD2-CG 4.3Å
123	P	97.4	Very high	97.3	Very high	96 Å²	96	53.9 Å²	53.9	62%	0.623	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	130	-176.3	-20.3	33.7	0	0	0	111.3	Y247	P123-Y247 WeakPolarHBondContact CD-OH 3.5Å
124	G	97	Very high	98.2	Very high	68 Å²	68	49 Å²	49	70%	0.701	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	0.9	-171.6	0	0	0	0	0	114.6	L122 N229	L122-G124 PolarHBondContact O-N 3.26Å; G124-N229 CarbonylContact C-O 3.22Å; G124-N229 VanDerWaalsContact O-CA 3.29Å; G124-N229 WeakPolarHBondContact O-CA 3.36Å
125	G	98.5	Very high	98.3	Very high	5 Å²	5	50.5 Å²	50.5	5%	0.052	29%	0.292	C	S	.	.			trans	78.3	-160.2	-178.7	0	0	0	0	0	113.4	L122 N229 I231	L122-G125 WeakPolarHBondContact O-CA 3.14Å; L122-G125 PolarHBondContact O-N 2.88Å; G125-N229 WeakPolarHBondContact CA-O 3.4Å; G125-I231 VanDerWaalsContact CA-O 3.31Å; G125-I231 WeakPolarHBondContact CA-O 3.1Å
126	V	98.7	Very high	98.4	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	26%	0.26	C	S	.	.			trans	-96	149	173.4	-55.5	0	0	0	0	111.3	L122 M130 F149 V204 F209 L228 I231	L122-V126 HydrophobicContact CD1-CG1 3.78Å; V126-M130 HydrophobicContact CB-SD 4.01Å; V126-M130 HydrophobicContact CG1-SD 3.94Å; V126-F149 HydrophobicContact CG1-CD1 4.39Å; V126-V204 HydrophobicContact CB-CG1 4.35Å; V126-V204 HydrophobicContact CB-CG2 4.03Å; V126-V204 HydrophobicContact CG1-CG2 4.47Å; V126-V204 HydrophobicContact CG2-CG1 4.18Å; V126-V204 HydrophobicContact CG2-CG2 4.44Å; V126-F209 HydrophobicContact CG2-CE1 4.18Å; V126-F209 HydrophobicContact CG2-CZ 4.21Å; V126-L228 HydrophobicContact CG2-CB 3.83Å; V126-L228 HydrophobicContact CG2-CD2 4.22Å; V126-L228 HydrophobicContact CG2-CG 4.48Å; V126-L228 PolarHBondContact N-O 3.47Å; V126-L228 CarbonylContact O-C 3.58Å; V126-L228 VanDerWaalsContact O-CB 3.23Å; V126-L228 WeakPolarHBondContact O-CB 3.47Å; V126-I231 HydrophobicContact CG1-CB 4.47Å; V126-I231 HydrophobicContact CG1-CG2 4.37Å; V126-I231 HydrophobicContact CG2-CB 4.13Å; V126-I231 HydrophobicContact CG2-CD1 3.94Å
127	V	98.5	Very high	98.4	Very high	72 Å²	72	44.7 Å²	44.7	44%	0.436	26%	0.264	S	S	.	.			trans	-140.1	146.6	-177.9	60.5	0	0	0	0	108.9	R129 M130 V204 M249	V127-R129 PolarHBondContact O-N 2.91Å; V127-M130 HydrophobicContact CG1-CB 4.22Å; V127-M130 WeakPolarHBondContact O-CB 3.38Å; V127-M130 PolarHBondContact O-N 2.96Å; V127-V204 WeakPolarHBondContact O-CB 3.41Å; V127-V204 WeakPolarHBondContact O-CG1 3.31Å; V127-M249 HydrophobicContact CG1-CE 3.77Å; V127-M249 HydrophobicContact CG1-SD 3.84Å
128	P	98.6	Very high	98.4	Very high	47 Å²	47	39.6 Å²	39.6	31%	0.305	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	142.9	174	-29.6	37.6	0	0	0	112.3	M130 V204 P206 M249	P128-M130 VanDerWaalsContact C-N 3.29Å; P128-V204 CarbonylContact C-O 3.53Å; P128-V204 VanDerWaalsContact CA-O 3.31Å; P128-V204 WeakPolarHBondContact CA-O 3.37Å; P128-P206 HydrophobicContact CB-CG 4.25Å; P128-P206 HydrophobicContact CG-CG 4.39Å; P128-M249 WeakPolarHBondContact O-CE 3.31Å
129	R	98.4	Very high	98.4	Very high	156 Å²	156	40 Å²	40	59%	0.589	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.3	3.8	-169.7	-45.1	175.5	65	110.2	4.2	116	V127 L131 V204 M249 I250	V127-R129 PolarHBondContact O-N 2.91Å; R129-L131 PolarHBondContact O-N 3.04Å; R129-V204 PolarHBondContact N-O 2.8Å; R129-M249 HydrophobicContact CB-CE 3.9Å; R129-I250 WeakPolarHBondContact CB-O 3.37Å; R129-I250 VanDerWaalsContact CZ-O 3.31Å; R129-I250 PolarHBondContact NE-O 3.37Å; R129-I250 VanDerWaalsContact NH2-C 3.27Å; R129-I250 PolarHBondContact NH2-O 3.31Å; R129-I250 VanDerWaalsContact NH2-O 3.08Å; R129-I250 PolarHBondContact NH2-OXT 2.76Å; R129-I250 WeakPolarHBondContact O-CG1 3.29Å; R129-I250 PolarHBondContact O-N 2.68Å
130	M	98.7	Very high	98.4	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.034	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	122.4	167.9	-170.4	-176	-153.5	0	0	110	L122 V126 V127 P128 I132 V204 Y247 M249	L122-M130 HydrophobicContact CB-CE 4.49Å; L122-M130 HydrophobicContact CD2-CE 3.84Å; V126-M130 HydrophobicContact CB-SD 4.01Å; V126-M130 HydrophobicContact CG1-SD 3.94Å; V127-M130 HydrophobicContact CG1-CB 4.22Å; V127-M130 WeakPolarHBondContact O-CB 3.38Å; V127-M130 PolarHBondContact O-N 2.96Å; P128-M130 VanDerWaalsContact C-N 3.29Å; M130-I132 HydrophobicContact CG-CD1 4.07Å; M130-I132 HydrophobicContact SD-CD1 4.21Å; M130-V204 HydrophobicContact CB-CB 4.27Å; M130-V204 HydrophobicContact CB-CG2 4.09Å; M130-V204 WeakPolarHBondContact O-CG2 3.49Å; M130-V204 PolarHBondContact O-N 3.36Å; M130-Y247 HydrophobicContact CE-CD1 4.08Å; M130-Y247 HydrophobicContact CE-CD2 3.35Å; M130-Y247 HydrophobicContact CE-CE1 4.46Å; M130-Y247 HydrophobicContact CE-CE2 3.81Å; M130-Y247 HydrophobicContact CE-CG 3.51Å; M130-M249 HydrophobicContact CB-CE 4.49Å; M130-M249 HydrophobicContact CB-SD 3.9Å; M130-M249 HydrophobicContact CG-SD 4.25Å
131	L	98.8	Very high	98.4	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.063	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.4	175.3	178.4	63.7	0	0	0	109.6	F5 R129 Q201 L203 Y247 T248 I250	F5-L131 HydrophobicContact CD1-CD2 4.35Å; R129-L131 PolarHBondContact O-N 3.04Å; L131-Q201 HydrophobicContact CD1-CB 4.17Å; L131-L203 HydrophobicContact CB-CD1 4.37Å; L131-L203 HydrophobicContact CD1-CB 4.2Å; L131-Y247 CarbonylContact O-C 3.55Å; L131-Y247 VanDerWaalsContact O-CA 3.24Å; L131-Y247 WeakPolarHBondContact O-CA 3.46Å; L131-T248 HydrophobicContact CB-CG2 4.25Å; L131-T248 PolarHBondContact N-O 3.4Å; L131-T248 PolarHBondContact O-N 2.98Å; L131-I250 HydrophobicContact CB-CG1 4.48Å; L131-I250 HydrophobicContact CB-CG2 3.95Å; L131-I250 HydrophobicContact CD2-CG2 3.87Å
132	I	98.8	Very high	98.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.5	172.1	-56.3	84.2	0	0	0	108.2	L120 M130 I134 F149 Q201 V202 V204 L234 S246	L120-I132 HydrophobicContact CD2-CG2 4.36Å; M130-I132 HydrophobicContact CG-CD1 4.07Å; M130-I132 HydrophobicContact SD-CD1 4.21Å; I132-I134 HydrophobicContact CG2-CG1 4.38Å; I132-F149 HydrophobicContact CD1-CE1 4.15Å; I132-F149 HydrophobicContact CD1-CZ 4.46Å; I132-F149 HydrophobicContact CG1-CE1 4.32Å; I132-Q201 CarbonylContact O-C 3.53Å; I132-Q201 VanDerWaalsContact O-CA 3.31Å; I132-Q201 WeakPolarHBondContact O-CA 3.38Å; I132-V202 HydrophobicContact CB-CB 4.39Å; I132-V202 WeakPolarHBondContact CD1-O 3.37Å; I132-V202 PolarHBondContact N-O 2.74Å; I132-V202 PolarHBondContact O-N 3.44Å; I132-V204 HydrophobicContact CD1-CG2 3.88Å; I132-L234 HydrophobicContact CG2-CD2 3.72Å; I132-S246 WeakPolarHBondContact CA-O 3.27Å; I132-S246 WeakPolarHBondContact CG2-O 3.36Å
133	T	98.7	Very high	98.4	Very high	28 Å²	28	49.5 Å²	49.5	17%	0.172	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.6	176.2	-56.6	0	0	0	0	110.5	L135 K199 Q201 A245 S246	T133-L135 HydrophobicContact CG2-CD2 4.29Å; T133-L135 HydrophobicContact CG2-CG 4.45Å; T133-K199 HydrophobicContact CG2-CD 4.4Å; T133-K199 HydrophobicContact CG2-CG 4.32Å; T133-Q201 HydrophobicContact CG2-CG 3.97Å; T133-A245 WeakPolarHBondContact O-CA 3.4Å; T133-S246 PolarHBondContact N-O 3.44Å; T133-S246 PolarHBondContact O-N 2.75Å
134	I	98.7	Very high	98.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	123.1	179.7	-57.8	159.5	0	0	0	108.3	I132 L147 F198 K199 I200 L234 I236 L242 S244 A245	I132-I134 HydrophobicContact CG2-CG1 4.38Å; I134-L147 HydrophobicContact CD1-CD1 3.54Å; I134-L147 HydrophobicContact CD1-CD2 3.55Å; I134-L147 HydrophobicContact CD1-CG 4.2Å; I134-F198 HydrophobicContact CG2-CE2 4.16Å; I134-K199 CarbonylContact O-C 3.56Å; I134-K199 WeakPolarHBondContact O-CA 3.23Å; I134-I200 HydrophobicContact CB-CB 4.35Å; I134-I200 PolarHBondContact N-O 2.88Å; I134-I200 PolarHBondContact O-N 2.89Å; I134-L234 HydrophobicContact CD1-CD2 4.17Å; I134-I236 HydrophobicContact CD1-CD1 3.98Å; I134-I236 HydrophobicContact CG1-CD1 3.93Å; I134-I236 HydrophobicContact CG2-CD1 4.14Å; I134-L242 HydrophobicContact CG2-CD1 3.62Å; I134-S244 WeakPolarHBondContact CA-O 3.15Å; I134-A245 HydrophobicContact CG1-CB 4.48Å
135	L	98.5	Very high	98.5	Very high	63 Å²	63	45.5 Å²	45.5	33%	0.33	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.7	175.9	-56.7	-178.6	0	0	0	110.1	T133 K199 T243 S244	T133-L135 HydrophobicContact CG2-CD2 4.29Å; T133-L135 HydrophobicContact CG2-CG 4.45Å; L135-K199 HydrophobicContact CD2-CB 3.56Å; L135-K199 HydrophobicContact CD2-CD 3.81Å; L135-K199 HydrophobicContact CD2-CG 3.53Å; L135-T243 WeakPolarHBondContact O-CA 3.46Å; L135-T243 WeakPolarHBondContact O-CB 3.23Å; L135-T243 PolarHBondContact O-N 2.95Å; L135-S244 PolarHBondContact N-O 3.43Å; L135-S244 PolarHBondContact O-N 3.25Å
136	G	98.1	Very high	98.5	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	-174.2	175.4	0	0	0	0	0	112.4	P197 F198 D241	G136-P197 CarbonylContact O-C 3.51Å; G136-P197 VanDerWaalsContact O-CA 3.31Å; G136-P197 WeakPolarHBondContact O-CA 3.49Å; G136-F198 VanDerWaalsContact C-CE1 3.47Å; G136-F198 PolarHBondContact N-O 2.9Å; G136-F198 VanDerWaalsContact O-CD1 3.3Å; G136-F198 WeakPolarHBondContact O-CD1 3.13Å; G136-F198 PolarHBondContact O-N 2.91Å; G136-D241 CarbonylContact C-O 3.41Å; G136-D241 WeakPolarHBondContact CA-O 3.39Å
137	T	98.6	Very high	98.5	Very high	50 Å²	50	45.2 Å²	45.2	31%	0.307	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.8	173.9	-64.2	0	0	0	0	109.1	I240 D241	T137-I240 CarbonylContact O-C 3.52Å; T137-I240 VanDerWaalsContact O-CA 3.27Å; T137-I240 WeakPolarHBondContact O-CA 2.87Å; T137-D241 PolarHBondContact N-O 2.72Å; T137-D241 PolarHBondContact O-N 3.23Å
138	V	98.8	Very high	98.6	Very high	1 Å²	1	43 Å²	43	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	132.5	172.3	-172.6	0	0	0	0	108.4	A142 I145 F163 F192 E193 G195 K196 F198	V138-A142 HydrophobicContact CG1-CB 3.46Å; V138-A142 VanDerWaalsContact CG1-CB 3.46Å; V138-I145 HydrophobicContact CG2-CD1 4.19Å; V138-F163 HydrophobicContact CG1-CE1 3.9Å; V138-F163 HydrophobicContact CG1-CE2 4.27Å; V138-F163 HydrophobicContact CG1-CZ 3.49Å; V138-F163 VanDerWaalsContact CG1-CZ 3.49Å; V138-F163 HydrophobicContact CG2-CZ 4.38Å; V138-F192 HydrophobicContact CG2-CB 4.38Å; V138-F192 HydrophobicContact CG2-CD1 4.5Å; V138-E193 WeakPolarHBondContact CB-O 3.39Å; V138-G195 WeakPolarHBondContact O-CA 3.44Å; V138-G195 PolarHBondContact O-N 2.93Å; V138-K196 PolarHBondContact N-O 2.86Å; V138-F198 HydrophobicContact CG2-CD1 3.62Å; V138-F198 HydrophobicContact CG2-CE1 4.13Å
139	K	98.5	Very high	98.6	Very high	72 Å²	72	40.8 Å²	40.8	31%	0.313	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-65.4	152.8	177.7	-76.2	174.7	165.4	144.2	0	111.8	A142 G195 D239 I240 D241	K139-A142 WeakPolarHBondContact O-CB 3.46Å; K139-A142 PolarHBondContact O-N 2.81Å; K139-G195 PolarHBondContact O-N 2.82Å; K139-D239 HydrophobicContact CB-CB 4.37Å; K139-D239 WeakPolarHBondContact CB-O 3.27Å; K139-D239 PolarHBondContact N-O 2.94Å; K139-I240 WeakPolarHBondContact CE-O 3.11Å; K139-I240 PolarHBondContact NZ-O 2.81Å; K139-D241 WeakPolarHBondContact CE-OD1 3.34Å; K139-D241 VanDerWaalsContact CE-OD2 3.23Å; K139-D241 WeakPolarHBondContact CE-OD2 3.5Å; K139-D241 IonicContact NZ-OD1 2.65Å; K139-D241 PolarHBondContact NZ-OD1 3.13Å
140	P	98.3	Very high	98.6	Very high	97 Å²	97	35.4 Å²	35.4	63%	0.63	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	141.5	164.4	-23.2	34.2	0	0	0	110.2	A142	P140-A142 PolarHBondContact O-N 3.33Å
141	N	97.6	Very high	98.6	Very high	157 Å²	157	38.3 Å²	38.3	84%	0.84	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	30.8	180	-48	-43.5	0	0	0	114.8
142	A	98.2	Very high	98.5	Very high	10 Å²	10	39.9 Å²	39.9	8%	0.083	22%	0.218	C	C	.	.			trans	-55	142.1	175.7	0	0	0	0	0	112.7	V138 K139 P140 F163 D239	V138-A142 HydrophobicContact CG1-CB 3.46Å; V138-A142 VanDerWaalsContact CG1-CB 3.46Å; K139-A142 WeakPolarHBondContact O-CB 3.46Å; K139-A142 PolarHBondContact O-N 2.81Å; P140-A142 PolarHBondContact O-N 3.33Å; A142-F163 HydrophobicContact CB-CD1 4.33Å; A142-F163 HydrophobicContact CB-CD2 4.08Å; A142-F163 HydrophobicContact CB-CE1 4.27Å; A142-F163 HydrophobicContact CB-CE2 4.03Å; A142-F163 HydrophobicContact CB-CG 4.25Å; A142-F163 HydrophobicContact CB-CZ 4.13Å; A142-F163 WeakPolarHBondContact O-CB 3.31Å; A142-F163 WeakPolarHBondContact O-CG 3.46Å; A142-D239 HydrophobicContact CB-CB 3.65Å
143	N	98.5	Very high	98.4	Very high	93 Å²	93	46.6 Å²	46.6	50%	0.497	25%	0.254	S	S	.	.			trans	-107.2	-41.4	175.7	-179.9	39.9	0	0	0	111.3	F163 D239	N143-F163 PolarHBondContact O-N 3.34Å; N143-D239 WeakPolarHBondContact CA-OD2 3.23Å; N143-D239 WeakPolarHBondContact CB-OD2 3.21Å; N143-D239 PolarHBondContact N-OD2 2.94Å
144	R	98.6	Very high	98.4	Very high	79 Å²	79	46 Å²	46	30%	0.298	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-151.3	153.3	-179.4	67.7	-176.3	-61.9	-78.8	6.9	114.6	P161 G238 D239	R144-P161 CarbonylContact C-O 3.53Å; R144-P161 VanDerWaalsContact CA-O 3.26Å; R144-P161 WeakPolarHBondContact CA-O 3.5Å; R144-G238 CarbonylContact O-C 3.59Å; R144-G238 VanDerWaalsContact O-CA 3.29Å; R144-G238 WeakPolarHBondContact O-CA 3.4Å; R144-D239 PolarHBondContact N-OD2 3.11Å; R144-D239 PolarHBondContact O-N 3.48Å
145	I	98.8	Very high	98.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149.4	159.5	-63.3	163.9	0	0	0	107.2	V138 N160 P161 F163 F192 I240	V138-I145 HydrophobicContact CG2-CD1 4.19Å; I145-N160 VanDerWaalsContact O-CA 3.3Å; I145-N160 WeakPolarHBondContact O-CA 3.33Å; I145-N160 PolarHBondContact O-ND2 2.65Å; I145-P161 HydrophobicContact CB-CB 4.26Å; I145-P161 HydrophobicContact CB-CG 4.13Å; I145-P161 PolarHBondContact N-O 2.97Å; I145-P161 WeakPolarHBondContact O-CD 3.28Å; I145-F163 HydrophobicContact CD1-CE2 3.93Å; I145-F163 HydrophobicContact CD1-CZ 4.08Å; I145-F163 HydrophobicContact CG1-CE2 4.08Å; I145-F192 HydrophobicContact CD1-CD1 4Å; I145-F192 HydrophobicContact CD1-CE1 4.35Å; I145-F192 HydrophobicContact CD1-CG 4.29Å; I145-I240 HydrophobicContact CD1-CG2 3.86Å; I145-I240 HydrophobicContact CG1-CG2 3.65Å
146	A	98.9	Very high	98.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	138.1	164.4	0	0	0	0	0	113.5	F159 N160 S237	A146-F159 VanDerWaalsContact CA-O 3.31Å; A146-F159 WeakPolarHBondContact CA-O 3.45Å; A146-N160 HydrophobicContact CB-CB 4.38Å; A146-S237 PolarHBondContact N-O 2.76Å; A146-S237 PolarHBondContact O-N 2.75Å
147	L	98.9	Very high	98.5	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.9	167	-55.4	-176.3	0	0	0	108.3	I134 H158 F159 I200 L234 G235 I236	I134-L147 HydrophobicContact CD1-CD1 3.54Å; I134-L147 HydrophobicContact CD1-CD2 3.55Å; I134-L147 HydrophobicContact CD1-CG 4.2Å; L147-H158 CarbonylContact O-C 3.48Å; L147-H158 WeakPolarHBondContact O-CA 3.39Å; L147-F159 HydrophobicContact CB-CB 4.27Å; L147-F159 HydrophobicContact CB-CD1 4.46Å; L147-F159 HydrophobicContact CD1-CD1 3.95Å; L147-F159 HydrophobicContact CG-CD1 4.07Å; L147-F159 PolarHBondContact N-O 2.9Å; L147-F159 PolarHBondContact O-N 2.78Å; L147-I200 HydrophobicContact CD1-CD1 3.98Å; L147-I200 HydrophobicContact CD1-CG2 3.92Å; L147-L234 HydrophobicContact CB-CD1 4.07Å; L147-G235 CarbonylContact C-O 3.59Å; L147-G235 WeakPolarHBondContact CA-O 3.19Å; L147-I236 HydrophobicContact CD2-CB 4.24Å; L147-I236 HydrophobicContact CD2-CG1 3.99Å; L147-I236 HydrophobicContact CD2-CG2 3.83Å
148	D	98.9	Very high	98.5	Very high	26 Å²	26	41.8 Å²	41.8	14%	0.139	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	93.7	-174.6	-72.8	-67.3	0	0	0	110.1	Q150 V155 H158 G235	D148-Q150 HydrophobicContact CB-CG 4.44Å; D148-Q150 PolarHBondContact O-N 3.32Å; D148-V155 HydrophobicContact CB-CG1 4.19Å; D148-V155 WeakPolarHBondContact OD1-CG1 3.29Å; D148-H158 IonicContact OD1-CE1 2.75Å; D148-H158 IonicContact OD1-CG 3.25Å; D148-H158 IonicContact OD1-ND1 3.54Å; D148-H158 PolarHBondContact OD1-ND1 3.1Å; D148-H158 IonicContact OD2-ND1 3.87Å; D148-G235 PolarHBondContact N-O 3.18Å; D148-G235 PolarHBondContact O-N 3.02Å
149	F	98.9	Very high	98.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	106.3	171.3	-72.8	-92.1	0	0	0	109	L122 V126 I132 V155 A156 F157 V202 F209 I231 L234	L122-F149 HydrophobicContact CD1-CD1 4.26Å; L122-F149 HydrophobicContact CD1-CE1 4.37Å; V126-F149 HydrophobicContact CG1-CD1 4.39Å; I132-F149 HydrophobicContact CD1-CE1 4.15Å; I132-F149 HydrophobicContact CD1-CZ 4.46Å; I132-F149 HydrophobicContact CG1-CE1 4.32Å; F149-V155 CarbonylContact O-C 3.52Å; F149-V155 WeakPolarHBondContact O-CA 3.47Å; F149-A156 PolarHBondContact O-N 3.45Å; F149-F157 HydrophobicContact CB-CB 4.16Å; F149-F157 HydrophobicContact CD2-CB 4.13Å; F149-F157 AromaticContact CD2-CD1 3.58Å; F149-F157 HydrophobicContact CD2-CD1 3.58Å; F149-F157 HydrophobicContact CD2-CE1 4.42Å; F149-F157 HydrophobicContact CD2-CG 4.19Å; F149-F157 AromaticContact CE2-CD1 3.77Å; F149-F157 HydrophobicContact CE2-CD1 3.77Å; F149-F157 HydrophobicContact CE2-CE1 4.22Å; F149-F157 HydrophobicContact CG-CB 4.45Å; F149-F157 HydrophobicContact CG-CD1 4.48Å; F149-F157 PolarHBondContact N-O 3.37Å; F149-V202 HydrophobicContact CE2-CG1 4.28Å; F149-V202 HydrophobicContact CE2-CG2 4.34Å; F149-V202 HydrophobicContact CZ-CB 4.12Å; F149-V202 HydrophobicContact CZ-CG1 3.92Å; F149-V202 HydrophobicContact CZ-CG2 4.17Å; F149-F209 HydrophobicContact CD1-CE1 4.22Å; F149-F209 HydrophobicContact CE1-CE1 4.32Å; F149-F209 HydrophobicContact CG-CE1 4.49Å; F149-I231 HydrophobicContact CB-CG2 3.8Å; F149-I231 HydrophobicContact CD1-CG2 4.39Å; F149-L234 HydrophobicContact CD1-CD1 4.26Å; F149-L234 HydrophobicContact CD2-CD1 3.88Å; F149-L234 HydrophobicContact CE1-CD1 4.21Å; F149-L234 HydrophobicContact CE1-CD2 4.15Å; F149-L234 HydrophobicContact CE2-CD1 3.82Å; F149-L234 HydrophobicContact CG-CD1 4.11Å; F149-L234 HydrophobicContact CZ-CD1 3.99Å; F149-L234 HydrophobicContact CZ-CD2 4Å
150	Q	98.8	Very high	98.5	Very high	42 Å²	42	38.7 Å²	38.7	20%	0.196	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.8	-169.1	-68.8	161.9	50.6	0	0	112.9	D148 D154 V155 I231 S232 K233	D148-Q150 HydrophobicContact CB-CG 4.44Å; D148-Q150 PolarHBondContact O-N 3.32Å; Q150-D154 CarbonylContact C-O 3.59Å; Q150-D154 VanDerWaalsContact CA-O 3.27Å; Q150-D154 WeakPolarHBondContact CA-O 3.33Å; Q150-V155 HydrophobicContact CG-CG2 4.4Å; Q150-I231 CarbonylContact O-C 3.6Å; Q150-I231 WeakPolarHBondContact O-CA 3.24Å; Q150-S232 PolarHBondContact O-N 2.88Å; Q150-S232 VanDerWaalsContact O-N 3.13Å; Q150-K233 HydrophobicContact CB-CB 4.21Å; Q150-K233 PolarHBondContact N-O 2.97Å
151	R	98.4	Very high	98.5	Very high	69 Å²	69	34 Å²	34	26%	0.26	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	95.9	168.7	171.5	-179.3	172.2	-95.6	-5.4	108	N153 D154 V225 E230 I231	R151-N153 PolarHBondContact O-N 3.35Å; R151-D154 HydrophobicContact CB-CB 4.32Å; R151-D154 PolarHBondContact N-O 3.05Å; R151-D154 IonicContact NH1-OD2 2.95Å; R151-D154 PolarHBondContact NH1-OD2 3.49Å; R151-D154 WeakPolarHBondContact O-CB 3.23Å; R151-D154 PolarHBondContact O-N 2.85Å; R151-V225 VanDerWaalsContact CD-CG1 3.42Å; R151-E230 WeakPolarHBondContact CA-O 3.35Å; R151-E230 HydrophobicContact CG-CB 3.86Å; R151-E230 IonicContact CZ-OE2 3.19Å; R151-E230 IonicContact NE-OE2 2.88Å; R151-E230 PolarHBondContact NE-OE2 2.93Å; R151-E230 IonicContact NH2-OE2 2.74Å; R151-E230 PolarHBondContact NH2-OE2 2.86Å; R151-I231 HydrophobicContact CB-CG1 4.32Å
152	G	96.7	Very high	98.6	Very high	44 Å²	44	29.3 Å²	29.3	45%	0.454	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	-109.2	-170.2	0	0	0	0	0	111.5	K233	G152-K233 PolarHBondContact O-NZ 2.93Å
153	N	97.5	Very high	98.6	Very high	141 Å²	141	29.9 Å²	29.9	75%	0.754	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-13.2	176.3	-66.7	-21	0	0	0	113.7	R151 K176	R151-N153 PolarHBondContact O-N 3.35Å; N153-K176 WeakPolarHBondContact O-CE 3.4Å; N153-K176 PolarHBondContact O-NZ 3.49Å
154	D	98.6	Very high	98.6	Very high	16 Å²	16	29.5 Å²	29.5	9%	0.086	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	151.5	174.8	-63.8	-28	0	0	0	110.3	Q150 R151 K176 L177 D178	Q150-D154 CarbonylContact C-O 3.59Å; Q150-D154 VanDerWaalsContact CA-O 3.27Å; Q150-D154 WeakPolarHBondContact CA-O 3.33Å; R151-D154 HydrophobicContact CB-CB 4.32Å; R151-D154 PolarHBondContact N-O 3.05Å; R151-D154 IonicContact NH1-OD2 2.95Å; R151-D154 PolarHBondContact NH1-OD2 3.49Å; R151-D154 WeakPolarHBondContact O-CB 3.23Å; R151-D154 PolarHBondContact O-N 2.85Å; D154-K176 CarbonylContact C-O 3.56Å; D154-K176 VanDerWaalsContact CA-O 3.29Å; D154-K176 WeakPolarHBondContact CA-O 3.35Å; D154-K176 WeakPolarHBondContact CB-O 3.39Å; D154-L177 HydrophobicContact CB-CD2 4.12Å; D154-L177 WeakPolarHBondContact OD1-CA 3.31Å; D154-D178 PolarHBondContact OD1-N 3.41Å; D154-D178 VanDerWaalsContact OD1-N 3.08Å
155	V	98.9	Very high	98.5	Very high	13 Å²	13	28.2 Å²	28.2	8%	0.079	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	102.7	165.8	-177.9	0	0	0	0	107.2	D148 F149 Q150 H158 T175 K176 W181	D148-V155 HydrophobicContact CB-CG1 4.19Å; D148-V155 WeakPolarHBondContact OD1-CG1 3.29Å; F149-V155 CarbonylContact O-C 3.52Å; F149-V155 WeakPolarHBondContact O-CA 3.47Å; Q150-V155 HydrophobicContact CG-CG2 4.4Å; V155-H158 HydrophobicContact CG1-CB 3.89Å; V155-T175 CarbonylContact O-C 3.44Å; V155-T175 VanDerWaalsContact O-CA 3.23Å; V155-T175 WeakPolarHBondContact O-CA 3.3Å; V155-T175 VanDerWaalsContact O-CG2 3.25Å; V155-T175 WeakPolarHBondContact O-CG2 3.36Å; V155-K176 HydrophobicContact CB-CB 3.97Å; V155-K176 HydrophobicContact CG2-CB 4.27Å; V155-K176 PolarHBondContact N-O 3.03Å; V155-K176 PolarHBondContact O-N 3.2Å; V155-W181 HydrophobicContact CB-CH2 4.46Å
156	A	98.9	Very high	98.4	Very high	2 Å²	2	35 Å²	35	2%	0.017	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-43.4	-179.3	0	0	0	0	0	111.9	F149 T175 V225 I231	F149-A156 PolarHBondContact O-N 3.45Å; A156-T175 PolarHBondContact O-OG1 2.94Å; A156-V225 HydrophobicContact CB-CB 3.75Å; A156-V225 HydrophobicContact CB-CG1 4.15Å; A156-V225 HydrophobicContact CB-CG2 3.78Å; A156-I231 HydrophobicContact CB-CD1 3.48Å; A156-I231 VanDerWaalsContact CB-CD1 3.48Å; A156-I231 HydrophobicContact CB-CG1 3.84Å; A156-I231 HydrophobicContact CB-CG2 4.24Å
157	F	98.9	Very high	98.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	116.3	174.3	173.6	-143.3	0	0	0	109.9	F149 F159 C173 V202 F209 V211 L219 Y221	F149-F157 HydrophobicContact CB-CB 4.16Å; F149-F157 HydrophobicContact CD2-CB 4.13Å; F149-F157 AromaticContact CD2-CD1 3.58Å; F149-F157 HydrophobicContact CD2-CD1 3.58Å; F149-F157 HydrophobicContact CD2-CE1 4.42Å; F149-F157 HydrophobicContact CD2-CG 4.19Å; F149-F157 AromaticContact CE2-CD1 3.77Å; F149-F157 HydrophobicContact CE2-CD1 3.77Å; F149-F157 HydrophobicContact CE2-CE1 4.22Å; F149-F157 HydrophobicContact CG-CB 4.45Å; F149-F157 HydrophobicContact CG-CD1 4.48Å; F149-F157 PolarHBondContact N-O 3.37Å; F157-F159 HydrophobicContact CE1-CB 4.27Å; F157-F159 HydrophobicContact CE2-CB 4Å; F157-F159 HydrophobicContact CZ-CB 3.74Å; F157-F159 HydrophobicContact CZ-CD2 4.26Å; F157-F159 HydrophobicContact CZ-CG 4.43Å; F157-C173 HydrophobicContact CE2-CB 4.06Å; F157-V202 HydrophobicContact CE1-CG1 4.45Å; F157-F209 HydrophobicContact CB-CD2 3.8Å; F157-F209 HydrophobicContact CB-CE2 3.63Å; F157-F209 HydrophobicContact CB-CZ 4.27Å; F157-F209 HydrophobicContact CD1-CB 3.85Å; F157-F209 HydrophobicContact CD1-CD1 4.12Å; F157-F209 AromaticContact CD1-CD2 3.65Å; F157-F209 HydrophobicContact CD1-CD2 3.65Å; F157-F209 HydrophobicContact CD1-CE2 4.19Å; F157-F209 AromaticContact CD1-CG 3.61Å; F157-F209 HydrophobicContact CD1-CG 3.61Å; F157-F209 HydrophobicContact CE1-CB 3.76Å; F157-F209 HydrophobicContact CE1-CD2 4.4Å; F157-F209 HydrophobicContact CE1-CG 4.05Å; F157-F209 AromaticContact CG-CD2 3.87Å; F157-F209 HydrophobicContact CG-CD2 3.87Å; F157-F209 HydrophobicContact CG-CE2 4.21Å; F157-F209 HydrophobicContact CG-CG 4.3Å; F157-V211 HydrophobicContact CE1-CG2 3.98Å; F157-V211 HydrophobicContact CZ-CG2 3.89Å; F157-L219 HydrophobicContact CZ-CD1 4.4Å; F157-Y221 HydrophobicContact CB-CD1 4.07Å; F157-Y221 HydrophobicContact CB-CE1 4.2Å; F157-Y221 AromaticContact CD2-CD1 3.17Å; F157-Y221 HydrophobicContact CD2-CD1 3.17Å; F157-Y221 HydrophobicContact CD2-CD2 4.25Å; F157-Y221 AromaticContact CD2-CE1 3.63Å; F157-Y221 HydrophobicContact CD2-CE1 3.63Å; F157-Y221 AromaticContact CD2-CG 3.52Å; F157-Y221 HydrophobicContact CD2-CG 3.52Å; F157-Y221 AromaticContact CE2-CD1 3.67Å; F157-Y221 HydrophobicContact CE2-CD1 3.67Å; F157-Y221 HydrophobicContact CE2-CD2 4.1Å; F157-Y221 HydrophobicContact CE2-CE1 4.41Å; F157-Y221 AromaticContact CE2-CG 3.48Å; F157-Y221 HydrophobicContact CE2-CG 3.48Å; F157-Y221 VanDerWaalsContact CE2-CG 3.48Å; F157-Y221 AromaticContact CG-CD1 3.75Å; F157-Y221 HydrophobicContact CG-CD1 3.75Å; F157-Y221 HydrophobicContact CG-CE1 4.25Å; F157-Y221 HydrophobicContact CG-CG 4.4Å; F157-Y221 HydrophobicContact CZ-CG 4.33Å
158	H	98.9	Very high	98.3	Very high	14 Å²	14	51.1 Å²	51.1	7%	0.065	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.7	167.8	-176.2	67.7	0	0	0	108	L147 D148 V155 N160 C173 N174 W181	L147-H158 CarbonylContact O-C 3.48Å; L147-H158 WeakPolarHBondContact O-CA 3.39Å; D148-H158 IonicContact OD1-CE1 2.75Å; D148-H158 IonicContact OD1-CG 3.25Å; D148-H158 IonicContact OD1-ND1 3.54Å; D148-H158 PolarHBondContact OD1-ND1 3.1Å; D148-H158 IonicContact OD2-ND1 3.87Å; V155-H158 HydrophobicContact CG1-CB 3.89Å; H158-N160 WeakPolarHBondContact NE2-CB 3.24Å; H158-C173 WeakPolarHBondContact O-CA 3.47Å; H158-N174 WeakPolarHBondContact CB-O 3.2Å; H158-N174 PolarHBondContact N-O 2.84Å; H158-N174 PolarHBondContact O-N 3.04Å; H158-N174 VanDerWaalsContact O-N 3.11Å; H158-W181 HydrophobicContact CB-CH2 3.71Å; H158-W181 HydrophobicContact CB-CZ3 3.55Å; H158-W181 AromaticContact CD2-CH2 3.76Å; H158-W181 AromaticContact CD2-CZ3 3.97Å; H158-W181 AromaticContact CG-CH2 3.53Å; H158-W181 AromaticContact CG-CZ3 3.8Å; H158-W181 AromaticContact ND1-CH2 3.76Å
159	F	98.9	Very high	98.2	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	112.8	170.8	168.4	-89.5	0	0	0	108.2	A146 L147 F157 P161 I171 F192 I200 V211 L218 L219	A146-F159 VanDerWaalsContact CA-O 3.31Å; A146-F159 WeakPolarHBondContact CA-O 3.45Å; L147-F159 HydrophobicContact CB-CB 4.27Å; L147-F159 HydrophobicContact CB-CD1 4.46Å; L147-F159 HydrophobicContact CD1-CD1 3.95Å; L147-F159 HydrophobicContact CG-CD1 4.07Å; L147-F159 PolarHBondContact N-O 2.9Å; L147-F159 PolarHBondContact O-N 2.78Å; F157-F159 HydrophobicContact CE1-CB 4.27Å; F157-F159 HydrophobicContact CE2-CB 4Å; F157-F159 HydrophobicContact CZ-CB 3.74Å; F157-F159 HydrophobicContact CZ-CD2 4.26Å; F157-F159 HydrophobicContact CZ-CG 4.43Å; F159-P161 HydrophobicContact CD1-CG 4.14Å; F159-P161 HydrophobicContact CE1-CG 3.49Å; F159-P161 VanDerWaalsContact CE1-CG 3.49Å; F159-P161 HydrophobicContact CZ-CG 3.93Å; F159-I171 HydrophobicContact CD2-CG2 3.75Å; F159-I171 HydrophobicContact CE2-CD1 4.23Å; F159-I171 HydrophobicContact CE2-CG2 3.47Å; F159-I171 VanDerWaalsContact CE2-CG2 3.47Å; F159-I171 HydrophobicContact CG-CG2 4.49Å; F159-I171 HydrophobicContact CZ-CD1 4.07Å; F159-I171 HydrophobicContact CZ-CG2 4.01Å; F159-F192 HydrophobicContact CE1-CE2 4.19Å; F159-F192 AromaticContact CE1-CZ 3.96Å; F159-F192 HydrophobicContact CE1-CZ 3.96Å; F159-F192 AromaticContact CZ-CE2 3.96Å; F159-F192 HydrophobicContact CZ-CE2 3.96Å; F159-F192 AromaticContact CZ-CZ 3.98Å; F159-F192 HydrophobicContact CZ-CZ 3.98Å; F159-I200 HydrophobicContact CE1-CD1 4.16Å; F159-V211 HydrophobicContact CD2-CG1 4.49Å; F159-V211 HydrophobicContact CE2-CG1 3.96Å; F159-V211 HydrophobicContact CZ-CG1 4.24Å; F159-L218 HydrophobicContact CE2-CD2 3.92Å; F159-L218 HydrophobicContact CZ-CD2 3.91Å; F159-L219 HydrophobicContact CD2-CD2 4.24Å; F159-L219 HydrophobicContact CE2-CD2 3.99Å
160	N	98.9	Very high	98.2	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.032	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	90.9	-170.1	168.7	-134.2	0	0	0	112.7	I145 A146 H158 R162 V172	I145-N160 VanDerWaalsContact O-CA 3.3Å; I145-N160 WeakPolarHBondContact O-CA 3.33Å; I145-N160 PolarHBondContact O-ND2 2.65Å; A146-N160 HydrophobicContact CB-CB 4.38Å; H158-N160 WeakPolarHBondContact NE2-CB 3.24Å; N160-R162 PolarHBondContact O-N 2.7Å; N160-R162 WeakPolarHBondContact OD1-CG 3.49Å; N160-R162 PolarHBondContact OD1-NE 3.15Å; N160-R162 PolarHBondContact OD1-NH2 3.25Å; N160-V172 PolarHBondContact N-O 3.01Å; N160-V172 PolarHBondContact O-N 3.09Å
161	P	98.8	Very high	98.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	121.5	160.4	-23	34	0	0	0	111	R144 I145 F159 I171 F190 F192	R144-P161 CarbonylContact C-O 3.53Å; R144-P161 VanDerWaalsContact CA-O 3.26Å; R144-P161 WeakPolarHBondContact CA-O 3.5Å; I145-P161 HydrophobicContact CB-CB 4.26Å; I145-P161 HydrophobicContact CB-CG 4.13Å; I145-P161 PolarHBondContact N-O 2.97Å; I145-P161 WeakPolarHBondContact O-CD 3.28Å; F159-P161 HydrophobicContact CD1-CG 4.14Å; F159-P161 HydrophobicContact CE1-CG 3.49Å; F159-P161 VanDerWaalsContact CE1-CG 3.49Å; F159-P161 HydrophobicContact CZ-CG 3.93Å; P161-I171 HydrophobicContact CB-CG1 4.26Å; P161-I171 HydrophobicContact CG-CD1 4.44Å; P161-I171 HydrophobicContact CG-CG1 4.26Å; P161-F190 HydrophobicContact CB-CE2 3.68Å; P161-F190 HydrophobicContact CB-CZ 3.86Å; P161-F192 HydrophobicContact CB-CD2 3.94Å; P161-F192 HydrophobicContact CB-CE2 4.03Å; P161-F192 HydrophobicContact CG-CD2 3.87Å; P161-F192 HydrophobicContact CG-CE2 3.43Å; P161-F192 VanDerWaalsContact CG-CE2 3.43Å; P161-F192 HydrophobicContact CG-CZ 4.02Å
162	R	98.8	Very high	98.3	Very high	58 Å²	58	49.8 Å²	49.8	22%	0.219	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.4	171.5	-56.9	179.6	-175.2	167.7	6.5	107.7	N160 E165 R169 V170 V172 E184 F190	N160-R162 PolarHBondContact O-N 2.7Å; N160-R162 WeakPolarHBondContact OD1-CG 3.49Å; N160-R162 PolarHBondContact OD1-NE 3.15Å; N160-R162 PolarHBondContact OD1-NH2 3.25Å; R162-E165 IonicContact CZ-OE2 2.8Å; R162-E165 IonicContact NH1-OE2 2.74Å; R162-E165 PolarHBondContact NH1-OE2 2.8Å; R162-R169 WeakPolarHBondContact O-CA 3.24Å; R162-V170 HydrophobicContact CB-CG1 4.04Å; R162-V170 PolarHBondContact N-O 3.29Å; R162-V170 PolarHBondContact O-N 2.83Å; R162-V172 VanDerWaalsContact CZ-CG2 3.46Å; R162-E184 IonicContact CZ-OE1 3.89Å; R162-E184 IonicContact NH1-OE1 3.71Å; R162-E184 IonicContact NH2-OE1 3.27Å; R162-E184 PolarHBondContact NH2-OE1 2.69Å; R162-F190 WeakPolarHBondContact O-CE2 3.44Å
163	F	98.5	Very high	98.4	Very high	22 Å²	22	47.9 Å²	47.9	10%	0.096	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-22.8	-177.9	-73.8	-104.1	0	0	0	112.5	V138 A142 N143 I145 F190 F192	V138-F163 HydrophobicContact CG1-CE1 3.9Å; V138-F163 HydrophobicContact CG1-CE2 4.27Å; V138-F163 HydrophobicContact CG1-CZ 3.49Å; V138-F163 VanDerWaalsContact CG1-CZ 3.49Å; V138-F163 HydrophobicContact CG2-CZ 4.38Å; A142-F163 HydrophobicContact CB-CD1 4.33Å; A142-F163 HydrophobicContact CB-CD2 4.08Å; A142-F163 HydrophobicContact CB-CE1 4.27Å; A142-F163 HydrophobicContact CB-CE2 4.03Å; A142-F163 HydrophobicContact CB-CG 4.25Å; A142-F163 HydrophobicContact CB-CZ 4.13Å; A142-F163 WeakPolarHBondContact O-CB 3.31Å; A142-F163 WeakPolarHBondContact O-CG 3.46Å; N143-F163 PolarHBondContact O-N 3.34Å; I145-F163 HydrophobicContact CD1-CE2 3.93Å; I145-F163 HydrophobicContact CD1-CZ 4.08Å; I145-F163 HydrophobicContact CG1-CE2 4.08Å; F163-F190 AromaticContact CD1-CE1 3.82Å; F163-F190 HydrophobicContact CD1-CE1 3.82Å; F163-F190 AromaticContact CD1-CZ 3.95Å; F163-F190 HydrophobicContact CD1-CZ 3.95Å; F163-F190 AromaticContact CD2-CZ 3.86Å; F163-F190 HydrophobicContact CD2-CZ 3.86Å; F163-F190 AromaticContact CE1-CE1 3.67Å; F163-F190 HydrophobicContact CE1-CE1 3.67Å; F163-F190 AromaticContact CE1-CZ 3.98Å; F163-F190 HydrophobicContact CE1-CZ 3.98Å; F163-F190 HydrophobicContact CE2-CE1 4.37Å; F163-F190 AromaticContact CE2-CZ 3.88Å; F163-F190 HydrophobicContact CE2-CZ 3.88Å; F163-F190 HydrophobicContact CG-CE1 4.24Å; F163-F190 AromaticContact CG-CZ 3.88Å; F163-F190 HydrophobicContact CG-CZ 3.88Å; F163-F190 AromaticContact CZ-CE1 3.95Å; F163-F190 HydrophobicContact CZ-CE1 3.95Å; F163-F190 AromaticContact CZ-CZ 3.94Å; F163-F190 HydrophobicContact CZ-CZ 3.94Å; F163-F192 HydrophobicContact CE1-CB 4.11Å; F163-F192 HydrophobicContact CZ-CB 3.7Å
164	N	97.6	Very high	98.4	Very high	85 Å²	85	41.4 Å²	41.4	46%	0.455	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	99.4	170.7	-169	-14.5	0	0	0	111.1	N167	N164-N167 VanDerWaalsContact OD1-CA 3.24Å; N164-N167 WeakPolarHBondContact OD1-CA 3.26Å; N164-N167 PolarHBondContact OD1-N 3.39Å
165	E	97.4	Very high	98.4	Very high	51 Å²	51	40.9 Å²	40.9	24%	0.238	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	104.7	161.4	-167.6	-170.2	76.9	0	0	107.3	R162 N167 R168 V170 R186	R162-E165 IonicContact CZ-OE2 2.8Å; R162-E165 IonicContact NH1-OE2 2.74Å; R162-E165 PolarHBondContact NH1-OE2 2.8Å; E165-N167 PolarHBondContact O-N 2.86Å; E165-R168 PolarHBondContact N-O 3.29Å; E165-R168 WeakPolarHBondContact O-CB 3.1Å; E165-R168 PolarHBondContact O-N 3.42Å; E165-V170 HydrophobicContact CB-CG1 4Å; E165-R186 IonicContact OE1-CZ 3.53Å; E165-R186 IonicContact OE1-NH1 3.91Å; E165-R186 PolarHBondContact OE1-NH1 3.04Å; E165-R186 IonicContact OE1-NH2 2.7Å; E165-R186 IonicContact OE2-CZ 3.52Å; E165-R186 IonicContact OE2-NH1 2.76Å; E165-R186 PolarHBondContact OE2-NH1 3.43Å; E165-R186 IonicContact OE2-NH2 3.67Å; E165-R186 PolarHBondContact OE2-NH2 3.45Å
166	N	97.2	Very high	98.4	Very high	143 Å²	143	42 Å²	42	77%	0.765	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	47.5	-175.8	-56.6	-51.4	0	0	0	113.8	R168	N166-R168 PolarHBondContact O-N 2.81Å
167	N	96.5	Very high	98.4	Very high	147 Å²	147	45.5 Å²	45.5	79%	0.786	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	23.2	-175.2	-57.8	-41.9	0	0	0	114.6	N164 E165	N164-N167 VanDerWaalsContact OD1-CA 3.24Å; N164-N167 WeakPolarHBondContact OD1-CA 3.26Å; N164-N167 PolarHBondContact OD1-N 3.39Å; E165-N167 PolarHBondContact O-N 2.86Å
168	R	97.6	Very high	98.4	Very high	194 Å²	194	51.9 Å²	51.9	73%	0.732	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.7	173.4	-61	-179.5	-179.1	178	-0.2	110.7	E165 N166	E165-R168 PolarHBondContact N-O 3.29Å; E165-R168 WeakPolarHBondContact O-CB 3.1Å; E165-R168 PolarHBondContact O-N 3.42Å; N166-R168 PolarHBondContact O-N 2.81Å
169	R	98.5	Very high	98.3	Very high	94 Å²	94	57 Å²	57	36%	0.355	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.4	168.2	-49.3	-161.7	-62.3	-165.3	4	108.7	R162 F190 F192 E193	R162-R169 WeakPolarHBondContact O-CA 3.24Å; R169-F190 HydrophobicContact CB-CB 4.04Å; R169-F190 HydrophobicContact CB-CD1 3.91Å; R169-F190 HydrophobicContact CB-CD2 3.65Å; R169-F190 HydrophobicContact CB-CE1 4.21Å; R169-F190 HydrophobicContact CB-CE2 3.98Å; R169-F190 HydrophobicContact CB-CG 3.59Å; R169-F190 HydrophobicContact CB-CZ 4.25Å; R169-F190 HydrophobicContact CG-CD1 4.37Å; R169-F190 HydrophobicContact CG-CE1 4.48Å; R169-F190 VanDerWaalsContact NE-CD1 3.35Å; R169-F190 PolarHBondContact NH2-O 2.94Å; R169-F192 PolarHBondContact NH1-O 2.78Å; R169-E193 IonicContact CZ-OE1 3.73Å; R169-E193 VanDerWaalsContact CZ-OE1 3.27Å; R169-E193 IonicContact CZ-OE2 2.72Å; R169-E193 IonicContact NH1-OE1 3.1Å; R169-E193 PolarHBondContact NH1-OE1 2.7Å; R169-E193 IonicContact NH1-OE2 3.37Å; R169-E193 PolarHBondContact NH1-OE2 2.92Å; R169-E193 IonicContact NH2-OE1 2.75Å; R169-E193 PolarHBondContact NH2-OE1 3.27Å
170	V	98.7	Very high	98.3	Very high	15 Å²	15	62.4 Å²	62.4	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	144.1	-179.7	63.8	0	0	0	0	109.8	R162 E165 V172 R186	R162-V170 HydrophobicContact CB-CG1 4.04Å; R162-V170 PolarHBondContact N-O 3.29Å; R162-V170 PolarHBondContact O-N 2.83Å; E165-V170 HydrophobicContact CB-CG1 4Å; V170-V172 HydrophobicContact CG1-CG2 4.15Å; V170-V172 HydrophobicContact CG2-CG2 4.29Å; V170-R186 HydrophobicContact CG2-CB 4.32Å
171	I	98.9	Very high	98.3	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.5	168	-57.6	-177.8	0	0	0	107.2	F159 P161 R186 Q187 V189 F190 F192 L218 L219	F159-I171 HydrophobicContact CD2-CG2 3.75Å; F159-I171 HydrophobicContact CE2-CD1 4.23Å; F159-I171 HydrophobicContact CE2-CG2 3.47Å; F159-I171 VanDerWaalsContact CE2-CG2 3.47Å; F159-I171 HydrophobicContact CG-CG2 4.49Å; F159-I171 HydrophobicContact CZ-CD1 4.07Å; F159-I171 HydrophobicContact CZ-CG2 4.01Å; P161-I171 HydrophobicContact CB-CG1 4.26Å; P161-I171 HydrophobicContact CG-CD1 4.44Å; P161-I171 HydrophobicContact CG-CG1 4.26Å; I171-R186 WeakPolarHBondContact O-CA 3.43Å; I171-Q187 HydrophobicContact CB-CB 4.29Å; I171-Q187 PolarHBondContact N-O 2.88Å; I171-Q187 PolarHBondContact O-N 3.13Å; I171-V189 WeakPolarHBondContact CD1-O 3.4Å; I171-F190 HydrophobicContact CD1-CD2 4.39Å; I171-F190 HydrophobicContact CG1-CD2 3.71Å; I171-F190 HydrophobicContact CG1-CE2 4.1Å; I171-F192 HydrophobicContact CD1-CD2 4.46Å; I171-F192 HydrophobicContact CD1-CE2 3.98Å; I171-L218 HydrophobicContact CD1-CD1 4.25Å; I171-L218 HydrophobicContact CD1-CD2 3.65Å; I171-L218 HydrophobicContact CD1-CG 4.39Å; I171-L219 HydrophobicContact CG2-CD2 4.1Å
172	V	98.8	Very high	98.2	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.9	176.5	-176.3	0	0	0	0	109.4	N160 R162 V170 E184 R186	N160-V172 PolarHBondContact N-O 3.01Å; N160-V172 PolarHBondContact O-N 3.09Å; R162-V172 VanDerWaalsContact CZ-CG2 3.46Å; V170-V172 HydrophobicContact CG1-CG2 4.15Å; V170-V172 HydrophobicContact CG2-CG2 4.29Å; V172-E184 HydrophobicContact CG1-CB 3.99Å; V172-E184 HydrophobicContact CG1-CG 3.71Å; V172-E184 WeakPolarHBondContact CG1-OE1 3.49Å; V172-R186 HydrophobicContact CG2-CG 4.27Å
173	C	98.9	Very high	98.2	Very high	4 Å²	4	76.3 Å²	76.3	3%	0.027	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.8	175	-68.2	0	0	0	0	110.4	F157 H158 E185 Y221	F157-C173 HydrophobicContact CE2-CB 4.06Å; H158-C173 WeakPolarHBondContact O-CA 3.47Å; C173-E185 HydrophobicContact CB-CB 4.21Å; C173-E185 PolarHBondContact N-O 2.79Å; C173-E185 PolarHBondContact O-N 2.94Å; C173-Y221 HydrophobicContact CB-CD2 3.63Å; C173-Y221 HydrophobicContact CB-CE2 3.88Å; C173-Y221 HydrophobicContact CB-CG 4.44Å
174	N	98.8	Very high	98.2	Very high	4 Å²	4	78.9 Å²	78.9	2%	0.021	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	176.9	179.3	-150.7	-13.5	0	0	0	112.3	H158 W181 G182 R183 Y221 R224	H158-N174 WeakPolarHBondContact CB-O 3.2Å; H158-N174 PolarHBondContact N-O 2.84Å; H158-N174 PolarHBondContact O-N 3.04Å; H158-N174 VanDerWaalsContact O-N 3.11Å; N174-W181 HydrophobicContact CB-CE3 3.82Å; N174-W181 HydrophobicContact CB-CZ3 4.06Å; N174-G182 PolarHBondContact ND2-O 2.89Å; N174-G182 WeakPolarHBondContact OD1-CA 3.45Å; N174-G182 PolarHBondContact OD1-N 2.81Å; N174-G182 PolarHBondContact OD1-O 3.48Å; N174-R183 PolarHBondContact OD1-O 2.97Å; N174-R183 VanDerWaalsContact OD1-O 3.07Å; N174-Y221 WeakPolarHBondContact CA-OH 3.46Å; N174-Y221 PolarHBondContact O-OH 2.85Å; N174-R224 PolarHBondContact OD1-NH1 3.49Å
175	T	98.9	Very high	98.3	Very high	5 Å²	5	77.4 Å²	77.4	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.2	172.3	-61.9	0	0	0	0	107.6	V155 A156 L177 G182 Y221 R224 V225	V155-T175 CarbonylContact O-C 3.44Å; V155-T175 VanDerWaalsContact O-CA 3.23Å; V155-T175 WeakPolarHBondContact O-CA 3.3Å; V155-T175 VanDerWaalsContact O-CG2 3.25Å; V155-T175 WeakPolarHBondContact O-CG2 3.36Å; A156-T175 PolarHBondContact O-OG1 2.94Å; T175-L177 HydrophobicContact CG2-CD2 3.8Å; T175-L177 HydrophobicContact CG2-CG 3.9Å; T175-G182 PolarHBondContact O-N 2.83Å; T175-Y221 PolarHBondContact N-OH 2.92Å; T175-Y221 VanDerWaalsContact N-OH 3.13Å; T175-Y221 PolarHBondContact OG1-OH 3.4Å; T175-R224 HydrophobicContact CG2-CB 4.23Å; T175-R224 WeakPolarHBondContact OG1-CD 3.48Å; T175-V225 HydrophobicContact CG2-CG2 4.13Å
176	K	98.8	Very high	98.4	Very high	37 Å²	37	80.7 Å²	80.7	16%	0.161	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.9	170.8	-163.5	-165.5	68.7	157.7	0	109	N153 D154 V155 N179 N180 W181	N153-K176 WeakPolarHBondContact O-CE 3.4Å; N153-K176 PolarHBondContact O-NZ 3.49Å; D154-K176 CarbonylContact C-O 3.56Å; D154-K176 VanDerWaalsContact CA-O 3.29Å; D154-K176 WeakPolarHBondContact CA-O 3.35Å; D154-K176 WeakPolarHBondContact CB-O 3.39Å; V155-K176 HydrophobicContact CB-CB 3.97Å; V155-K176 HydrophobicContact CG2-CB 4.27Å; V155-K176 PolarHBondContact N-O 3.03Å; V155-K176 PolarHBondContact O-N 3.2Å; K176-N179 PolarHBondContact NZ-OD1 3.2Å; K176-N180 CarbonylContact C-O 3.56Å; K176-N180 VanDerWaalsContact CA-O 3.28Å; K176-N180 WeakPolarHBondContact CA-O 3.41Å; K176-W181 HydrophobicContact CB-CD2 3.96Å; K176-W181 HydrophobicContact CB-CE3 3.71Å; K176-W181 HydrophobicContact CB-CH2 4.04Å; K176-W181 HydrophobicContact CB-CZ2 4.26Å; K176-W181 HydrophobicContact CB-CZ3 3.75Å; K176-W181 HydrophobicContact CD-CZ2 4.34Å; K176-W181 HydrophobicContact CG-CD2 4.08Å; K176-W181 HydrophobicContact CG-CE3 4.35Å; K176-W181 HydrophobicContact CG-CG 4.43Å
177	L	98.5	Very high	98.4	Very high	76 Å²	76	76.3 Å²	76.3	40%	0.398	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.7	174.3	-59.5	-179.3	0	0	0	109.1	D154 T175 N179 N180 V225	D154-L177 HydrophobicContact CB-CD2 4.12Å; D154-L177 WeakPolarHBondContact OD1-CA 3.31Å; T175-L177 HydrophobicContact CG2-CD2 3.8Å; T175-L177 HydrophobicContact CG2-CG 3.9Å; L177-N179 PolarHBondContact O-N 2.96Å; L177-N179 VanDerWaalsContact O-N 3.13Å; L177-N180 PolarHBondContact N-O 2.89Å; L177-N180 WeakPolarHBondContact O-CB 3.43Å; L177-N180 PolarHBondContact O-N 2.86Å; L177-V225 HydrophobicContact CD2-CG2 3.75Å
178	D	97.6	Very high	98.4	Very high	134 Å²	134	73.9 Å²	73.9	72%	0.717	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	43.1	178.4	-62.7	-51.9	0	0	0	113	D154 N180	D154-D178 PolarHBondContact OD1-N 3.41Å; D154-D178 VanDerWaalsContact OD1-N 3.08Å; D178-N180 PolarHBondContact O-N 3.19Å; D178-N180 PolarHBondContact O-ND2 2.89Å
179	N	97.3	Very high	98.5	Very high	120 Å²	120	68.5 Å²	68.5	64%	0.642	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	0.2	-172.9	-67.3	-49.1	0	0	0	117.9	K176 L177	K176-N179 PolarHBondContact NZ-OD1 3.2Å; L177-N179 PolarHBondContact O-N 2.96Å; L177-N179 VanDerWaalsContact O-N 3.13Å
180	N	98.5	Very high	98.5	Very high	116 Å²	116	64.8 Å²	64.8	62%	0.62	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.1	175.8	-62.3	-76.1	0	0	0	111.1	K176 L177 D178	K176-N180 CarbonylContact C-O 3.56Å; K176-N180 VanDerWaalsContact CA-O 3.28Å; K176-N180 WeakPolarHBondContact CA-O 3.41Å; L177-N180 PolarHBondContact N-O 2.89Å; L177-N180 WeakPolarHBondContact O-CB 3.43Å; L177-N180 PolarHBondContact O-N 2.86Å; D178-N180 PolarHBondContact O-N 3.19Å; D178-N180 PolarHBondContact O-ND2 2.89Å
181	W	98.7	Very high	98.5	Very high	125 Å²	125	66.2 Å²	66.2	47%	0.473	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	133.3	169.5	-73.5	109.3	0	0	0	110.4	V155 H158 N174 K176	V155-W181 HydrophobicContact CB-CH2 4.46Å; H158-W181 HydrophobicContact CB-CH2 3.71Å; H158-W181 HydrophobicContact CB-CZ3 3.55Å; H158-W181 AromaticContact CD2-CH2 3.76Å; H158-W181 AromaticContact CD2-CZ3 3.97Å; H158-W181 AromaticContact CG-CH2 3.53Å; H158-W181 AromaticContact CG-CZ3 3.8Å; H158-W181 AromaticContact ND1-CH2 3.76Å; N174-W181 HydrophobicContact CB-CE3 3.82Å; N174-W181 HydrophobicContact CB-CZ3 4.06Å; K176-W181 HydrophobicContact CB-CD2 3.96Å; K176-W181 HydrophobicContact CB-CE3 3.71Å; K176-W181 HydrophobicContact CB-CH2 4.04Å; K176-W181 HydrophobicContact CB-CZ2 4.26Å; K176-W181 HydrophobicContact CB-CZ3 3.75Å; K176-W181 HydrophobicContact CD-CZ2 4.34Å; K176-W181 HydrophobicContact CG-CD2 4.08Å; K176-W181 HydrophobicContact CG-CE3 4.35Å; K176-W181 HydrophobicContact CG-CG 4.43Å
182	G	98.6	Very high	98.4	Very high	38 Å²	38	66.2 Å²	66.2	39%	0.392	34%	0.335	S	S	.	.			trans	-78.3	-161.4	175.5	0	0	0	0	0	113.4	N174 T175 E184	N174-G182 PolarHBondContact ND2-O 2.89Å; N174-G182 WeakPolarHBondContact OD1-CA 3.45Å; N174-G182 PolarHBondContact OD1-N 2.81Å; N174-G182 PolarHBondContact OD1-O 3.48Å; T175-G182 PolarHBondContact O-N 2.83Å; G182-E184 PolarHBondContact O-N 2.71Å
183	R	98.5	Very high	98.4	Very high	192 Å²	192	69.7 Å²	69.7	73%	0.725	35%	0.351	S	S	*	.			trans	-64.5	124	173.8	-173.9	177.7	72	-179.2	3.4	110.6	N174 R224	N174-R183 PolarHBondContact OD1-O 2.97Å; N174-R183 VanDerWaalsContact OD1-O 3.07Å; R183-R224 VanDerWaalsContact O-CZ 3.26Å; R183-R224 PolarHBondContact O-NH1 2.98Å; R183-R224 PolarHBondContact O-NH2 3.08Å
184	E	98.7	Very high	98.4	Very high	76 Å²	76	71.9 Å²	71.9	36%	0.355	37%	0.367	S	S	.	.			trans	-65.5	139.3	172	-68.6	-174.5	145.8	0	0	111.1	R162 V172 G182 R186	R162-E184 IonicContact CZ-OE1 3.89Å; R162-E184 IonicContact NH1-OE1 3.71Å; R162-E184 IonicContact NH2-OE1 3.27Å; R162-E184 PolarHBondContact NH2-OE1 2.69Å; V172-E184 HydrophobicContact CG1-CB 3.99Å; V172-E184 HydrophobicContact CG1-CG 3.71Å; V172-E184 WeakPolarHBondContact CG1-OE1 3.49Å; G182-E184 PolarHBondContact O-N 2.71Å; E184-R186 HydrophobicContact CB-CG 4.32Å; E184-R186 IonicContact OE1-NH2 3.15Å; E184-R186 IonicContact OE2-CZ 3.54Å; E184-R186 IonicContact OE2-NE 3.7Å; E184-R186 PolarHBondContact OE2-NE 3.49Å; E184-R186 IonicContact OE2-NH2 2.68Å; E184-R186 PolarHBondContact OE2-NH2 3.3Å
185	E	98.7	Very high	98.4	Very high	55 Å²	55	73.8 Å²	73.8	26%	0.257	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.7	162.9	-74.7	169.5	-142.8	0	0	107.3	C173 Y221 R224	C173-E185 HydrophobicContact CB-CB 4.21Å; C173-E185 PolarHBondContact N-O 2.79Å; C173-E185 PolarHBondContact O-N 2.94Å; E185-Y221 HydrophobicContact CB-CE2 4.39Å; E185-Y221 HydrophobicContact CG-CE2 4.39Å; E185-Y221 VanDerWaalsContact OE2-CD2 3.28Å; E185-Y221 WeakPolarHBondContact OE2-CD2 3.31Å; E185-R224 IonicContact OE1-CZ 3.59Å; E185-R224 IonicContact OE1-NE 3.69Å; E185-R224 IonicContact OE1-NH2 2.68Å; E185-R224 PolarHBondContact OE1-NH2 2.83Å
186	R	98.7	Very high	98.4	Very high	119 Å²	119	79.3 Å²	79.3	45%	0.449	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.5	-167	-72.5	173.9	159.3	-95.9	-1.8	110.9	E165 V170 I171 V172 E184	E165-R186 IonicContact OE1-CZ 3.53Å; E165-R186 IonicContact OE1-NH1 3.91Å; E165-R186 PolarHBondContact OE1-NH1 3.04Å; E165-R186 IonicContact OE1-NH2 2.7Å; E165-R186 IonicContact OE2-CZ 3.52Å; E165-R186 IonicContact OE2-NH1 2.76Å; E165-R186 PolarHBondContact OE2-NH1 3.43Å; E165-R186 IonicContact OE2-NH2 3.67Å; E165-R186 PolarHBondContact OE2-NH2 3.45Å; V170-R186 HydrophobicContact CG2-CB 4.32Å; I171-R186 WeakPolarHBondContact O-CA 3.43Å; V172-R186 HydrophobicContact CG2-CG 4.27Å; E184-R186 HydrophobicContact CB-CG 4.32Å; E184-R186 IonicContact OE1-NH2 3.15Å; E184-R186 IonicContact OE2-CZ 3.54Å; E184-R186 IonicContact OE2-NE 3.7Å; E184-R186 PolarHBondContact OE2-NE 3.49Å; E184-R186 IonicContact OE2-NH2 2.68Å; E184-R186 PolarHBondContact OE2-NH2 3.3Å
187	Q	97.4	Very high	98.4	Very high	51 Å²	51	82.2 Å²	82.2	24%	0.238	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.3	179.6	169.3	60.5	-66.4	0	0	109.5	I171 V189 L218 L219	I171-Q187 HydrophobicContact CB-CB 4.29Å; I171-Q187 PolarHBondContact N-O 2.88Å; I171-Q187 PolarHBondContact O-N 3.13Å; Q187-V189 HydrophobicContact CG-CB 4.11Å; Q187-L218 HydrophobicContact CG-CD1 4.22Å; Q187-L218 PolarHBondContact NE2-O 3.13Å; Q187-L219 HydrophobicContact CB-CD2 4.08Å; Q187-L219 HydrophobicContact CG-CD2 4.26Å
188	S	97.8	Very high	98.4	Very high	97 Å²	97	79 Å²	79	68%	0.678	42%	0.416	S	S	*	.			trans	-91.6	-19.4	178.4	55.8	0	0	0	0	113.4	F190	S188-F190 PolarHBondContact O-N 2.84Å
189	V	98.3	Very high	98.4	Very high	80 Å²	80	74.9 Å²	74.9	49%	0.485	39%	0.392	S	S	.	.			trans	-62.6	118.6	168.9	-179.2	0	0	0	0	108.5	I171 Q187 L218	I171-V189 WeakPolarHBondContact CD1-O 3.4Å; Q187-V189 HydrophobicContact CG-CB 4.11Å; V189-L218 HydrophobicContact CB-CD1 3.95Å; V189-L218 HydrophobicContact CG1-CD1 3.69Å
190	F	98.6	Very high	98.5	Very high	17 Å²	17	69.2 Å²	69.2	8%	0.075	36%	0.361	C	S	.	.			trans	-132.9	92.6	-171	-162.6	-82.6	0	0	0	110.5	P161 R162 F163 R169 I171 S188 F192	P161-F190 HydrophobicContact CB-CE2 3.68Å; P161-F190 HydrophobicContact CB-CZ 3.86Å; R162-F190 WeakPolarHBondContact O-CE2 3.44Å; F163-F190 AromaticContact CD1-CE1 3.82Å; F163-F190 HydrophobicContact CD1-CE1 3.82Å; F163-F190 AromaticContact CD1-CZ 3.95Å; F163-F190 HydrophobicContact CD1-CZ 3.95Å; F163-F190 AromaticContact CD2-CZ 3.86Å; F163-F190 HydrophobicContact CD2-CZ 3.86Å; F163-F190 AromaticContact CE1-CE1 3.67Å; F163-F190 HydrophobicContact CE1-CE1 3.67Å; F163-F190 AromaticContact CE1-CZ 3.98Å; F163-F190 HydrophobicContact CE1-CZ 3.98Å; F163-F190 HydrophobicContact CE2-CE1 4.37Å; F163-F190 AromaticContact CE2-CZ 3.88Å; F163-F190 HydrophobicContact CE2-CZ 3.88Å; F163-F190 HydrophobicContact CG-CE1 4.24Å; F163-F190 AromaticContact CG-CZ 3.88Å; F163-F190 HydrophobicContact CG-CZ 3.88Å; F163-F190 AromaticContact CZ-CE1 3.95Å; F163-F190 HydrophobicContact CZ-CE1 3.95Å; F163-F190 AromaticContact CZ-CZ 3.94Å; F163-F190 HydrophobicContact CZ-CZ 3.94Å; R169-F190 HydrophobicContact CB-CB 4.04Å; R169-F190 HydrophobicContact CB-CD1 3.91Å; R169-F190 HydrophobicContact CB-CD2 3.65Å; R169-F190 HydrophobicContact CB-CE1 4.21Å; R169-F190 HydrophobicContact CB-CE2 3.98Å; R169-F190 HydrophobicContact CB-CG 3.59Å; R169-F190 HydrophobicContact CB-CZ 4.25Å; R169-F190 HydrophobicContact CG-CD1 4.37Å; R169-F190 HydrophobicContact CG-CE1 4.48Å; R169-F190 VanDerWaalsContact NE-CD1 3.35Å; R169-F190 PolarHBondContact NH2-O 2.94Å; I171-F190 HydrophobicContact CD1-CD2 4.39Å; I171-F190 HydrophobicContact CG1-CD2 3.71Å; I171-F190 HydrophobicContact CG1-CE2 4.1Å; S188-F190 PolarHBondContact O-N 2.84Å; F190-F192 VanDerWaalsContact C-N 3.32Å; F190-F192 HydrophobicContact CD1-CB 4.21Å; F190-F192 WeakPolarHBondContact CD1-O 3.1Å; F190-F192 HydrophobicContact CE1-CB 3.71Å; F190-F192 HydrophobicContact CE1-CD2 4.31Å; F190-F192 VanDerWaalsContact CE1-O 3.29Å; F190-F192 WeakPolarHBondContact CE1-O 3.41Å; F190-F192 HydrophobicContact CZ-CB 4.33Å; F190-F192 HydrophobicContact CZ-CD2 4.39Å; F190-F192 PolarHBondContact O-N 2.78Å
191	P	98.5	Very high	98.5	Very high	44 Å²	44	64.1 Å²	64.1	29%	0.286	33%	0.334	S	S	.	.			trans	-86.3	5.7	-173.8	33.3	-34.9	0	0	0	114.6	V213 L218	P191-V213 HydrophobicContact CB-CB 4.33Å; P191-V213 HydrophobicContact CB-CG1 4.16Å; P191-V213 HydrophobicContact CG-CB 3.64Å; P191-V213 HydrophobicContact CG-CG1 3.72Å; P191-V213 HydrophobicContact CG-CG2 4.1Å; P191-L218 HydrophobicContact CG-CD1 4.17Å; P191-L218 HydrophobicContact CG-CD2 4.15Å
192	F	98.7	Very high	98.5	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	31%	0.311	C	S	.	.			trans	-94.8	139.7	179.1	-53.6	-83.9	0	0	0	111.4	V138 I145 F159 P161 F163 R169 I171 F190 F198 I200 V213	V138-F192 HydrophobicContact CG2-CB 4.38Å; V138-F192 HydrophobicContact CG2-CD1 4.5Å; I145-F192 HydrophobicContact CD1-CD1 4Å; I145-F192 HydrophobicContact CD1-CE1 4.35Å; I145-F192 HydrophobicContact CD1-CG 4.29Å; F159-F192 HydrophobicContact CE1-CE2 4.19Å; F159-F192 AromaticContact CE1-CZ 3.96Å; F159-F192 HydrophobicContact CE1-CZ 3.96Å; F159-F192 AromaticContact CZ-CE2 3.96Å; F159-F192 HydrophobicContact CZ-CE2 3.96Å; F159-F192 AromaticContact CZ-CZ 3.98Å; F159-F192 HydrophobicContact CZ-CZ 3.98Å; P161-F192 HydrophobicContact CB-CD2 3.94Å; P161-F192 HydrophobicContact CB-CE2 4.03Å; P161-F192 HydrophobicContact CG-CD2 3.87Å; P161-F192 HydrophobicContact CG-CE2 3.43Å; P161-F192 VanDerWaalsContact CG-CE2 3.43Å; P161-F192 HydrophobicContact CG-CZ 4.02Å; F163-F192 HydrophobicContact CE1-CB 4.11Å; F163-F192 HydrophobicContact CZ-CB 3.7Å; R169-F192 PolarHBondContact NH1-O 2.78Å; I171-F192 HydrophobicContact CD1-CD2 4.46Å; I171-F192 HydrophobicContact CD1-CE2 3.98Å; F190-F192 VanDerWaalsContact C-N 3.32Å; F190-F192 HydrophobicContact CD1-CB 4.21Å; F190-F192 WeakPolarHBondContact CD1-O 3.1Å; F190-F192 HydrophobicContact CE1-CB 3.71Å; F190-F192 HydrophobicContact CE1-CD2 4.31Å; F190-F192 VanDerWaalsContact CE1-O 3.29Å; F190-F192 WeakPolarHBondContact CE1-O 3.41Å; F190-F192 HydrophobicContact CZ-CB 4.33Å; F190-F192 HydrophobicContact CZ-CD2 4.39Å; F190-F192 PolarHBondContact O-N 2.78Å; F192-F198 HydrophobicContact CD1-CB 4.13Å; F192-F198 HydrophobicContact CD1-CG 4.28Å; F192-F198 HydrophobicContact CE1-CB 4.28Å; F192-F198 HydrophobicContact CE1-CD2 4.26Å; F192-F198 HydrophobicContact CE1-CG 4.26Å; F192-I200 HydrophobicContact CE1-CD1 3.75Å; F192-I200 HydrophobicContact CE1-CG1 3.71Å; F192-I200 HydrophobicContact CZ-CD1 3.79Å; F192-I200 HydrophobicContact CZ-CG1 3.82Å; F192-V213 HydrophobicContact CD1-CG1 4.34Å; F192-V213 HydrophobicContact CE1-CG1 3.75Å; F192-V213 HydrophobicContact CE1-CG2 4.37Å; F192-V213 HydrophobicContact CE2-CG2 4.32Å; F192-V213 HydrophobicContact CZ-CB 4.46Å; F192-V213 HydrophobicContact CZ-CG1 3.88Å; F192-V213 HydrophobicContact CZ-CG2 3.72Å
193	E	98.6	Very high	98.5	Very high	72 Å²	72	57.4 Å²	57.4	34%	0.336	30%	0.298	S	S	.	.			trans	-131.5	134.5	176.9	-65.5	-58.6	155.9	0	0	109.9	V138 R169 G195 K196	V138-E193 WeakPolarHBondContact CB-O 3.39Å; R169-E193 IonicContact CZ-OE1 3.73Å; R169-E193 VanDerWaalsContact CZ-OE1 3.27Å; R169-E193 IonicContact CZ-OE2 2.72Å; R169-E193 IonicContact NH1-OE1 3.1Å; R169-E193 PolarHBondContact NH1-OE1 2.7Å; R169-E193 IonicContact NH1-OE2 3.37Å; R169-E193 PolarHBondContact NH1-OE2 2.92Å; R169-E193 IonicContact NH2-OE1 2.75Å; R169-E193 PolarHBondContact NH2-OE1 3.27Å; E193-G195 PolarHBondContact O-N 2.83Å; E193-K196 HydrophobicContact CB-CB 4.14Å; E193-K196 HydrophobicContact CB-CD 3.68Å; E193-K196 HydrophobicContact CB-CG 3.81Å; E193-K196 HydrophobicContact CG-CD 4.17Å; E193-K196 PolarHBondContact O-N 2.84Å; E193-K196 VanDerWaalsContact O-N 3.12Å
194	S	98.4	Very high	98.6	Very high	51 Å²	51	48.3 Å²	48.3	36%	0.357	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	134.1	178.2	-62.4	0	0	0	0	111.3	K196	S194-K196 VanDerWaalsContact C-N 3.3Å; S194-K196 PolarHBondContact O-N 3.34Å
195	G	98.4	Very high	98.5	Very high	43 Å²	43	47 Å²	47	44%	0.443	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-0.3	-176.8	0	0	0	0	0	115.6	V138 K139 E193	V138-G195 WeakPolarHBondContact O-CA 3.44Å; V138-G195 PolarHBondContact O-N 2.93Å; K139-G195 PolarHBondContact O-N 2.82Å; E193-G195 PolarHBondContact O-N 2.83Å
196	K	98.6	Very high	98.5	Very high	122 Å²	122	48.7 Å²	48.7	53%	0.53	27%	0.274	S	S	.	.			trans	-103.1	149.3	-179.7	-61	-160.5	-167.1	170.8	0	113	V138 E193 S194	V138-K196 PolarHBondContact N-O 2.86Å; E193-K196 HydrophobicContact CB-CB 4.14Å; E193-K196 HydrophobicContact CB-CD 3.68Å; E193-K196 HydrophobicContact CB-CG 3.81Å; E193-K196 HydrophobicContact CG-CD 4.17Å; E193-K196 PolarHBondContact O-N 2.84Å; E193-K196 VanDerWaalsContact O-N 3.12Å; S194-K196 VanDerWaalsContact C-N 3.3Å; S194-K196 PolarHBondContact O-N 3.34Å
197	P	98.6	Very high	98.5	Very high	97 Å²	97	48.3 Å²	48.3	63%	0.63	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	154	168.2	29.9	-35.7	0	0	0	111.1	G136	G136-P197 CarbonylContact O-C 3.51Å; G136-P197 VanDerWaalsContact O-CA 3.31Å; G136-P197 WeakPolarHBondContact O-CA 3.49Å
198	F	98.8	Very high	98.6	Very high	10 Å²	10	46.7 Å²	46.7	4%	0.044	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155.1	174.4	68.3	-94.5	0	0	0	111.3	I134 G136 V138 F192 I200 N214 I240	I134-F198 HydrophobicContact CG2-CE2 4.16Å; G136-F198 VanDerWaalsContact C-CE1 3.47Å; G136-F198 PolarHBondContact N-O 2.9Å; G136-F198 VanDerWaalsContact O-CD1 3.3Å; G136-F198 WeakPolarHBondContact O-CD1 3.13Å; G136-F198 PolarHBondContact O-N 2.91Å; V138-F198 HydrophobicContact CG2-CD1 3.62Å; V138-F198 HydrophobicContact CG2-CE1 4.13Å; F192-F198 HydrophobicContact CD1-CB 4.13Å; F192-F198 HydrophobicContact CD1-CG 4.28Å; F192-F198 HydrophobicContact CE1-CB 4.28Å; F192-F198 HydrophobicContact CE1-CD2 4.26Å; F192-F198 HydrophobicContact CE1-CG 4.26Å; F198-I200 HydrophobicContact CD2-CD1 4.1Å; F198-I200 HydrophobicContact CD2-CG1 3.8Å; F198-I200 HydrophobicContact CE2-CD1 3.88Å; F198-I200 HydrophobicContact CE2-CG1 4.03Å; F198-N214 WeakPolarHBondContact CA-OD1 3.42Å; F198-I240 HydrophobicContact CE1-CB 4.06Å; F198-I240 HydrophobicContact CE1-CG2 3.63Å; F198-I240 HydrophobicContact CZ-CB 4.26Å; F198-I240 HydrophobicContact CZ-CD1 3.98Å; F198-I240 HydrophobicContact CZ-CG2 3.9Å
199	K	98.7	Very high	98.6	Very high	47 Å²	47	42.2 Å²	42.2	20%	0.204	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117	164.2	174.6	168.8	62.4	176.5	0	108.5	T133 I134 L135 Q201 V213 N214 D215	T133-K199 HydrophobicContact CG2-CD 4.4Å; T133-K199 HydrophobicContact CG2-CG 4.32Å; I134-K199 CarbonylContact O-C 3.56Å; I134-K199 WeakPolarHBondContact O-CA 3.23Å; L135-K199 HydrophobicContact CD2-CB 3.56Å; L135-K199 HydrophobicContact CD2-CD 3.81Å; L135-K199 HydrophobicContact CD2-CG 3.53Å; K199-Q201 HydrophobicContact CD-CG 4.31Å; K199-Q201 VanDerWaalsContact CD-OE1 3.29Å; K199-Q201 HydrophobicContact CG-CG 4.02Å; K199-V213 CarbonylContact O-C 3.39Å; K199-V213 VanDerWaalsContact O-CA 3.24Å; K199-V213 WeakPolarHBondContact O-CA 3.31Å; K199-N214 PolarHBondContact N-OD1 2.82Å; K199-N214 PolarHBondContact O-N 2.77Å; K199-D215 VanDerWaalsContact CE-CG 3.48Å; K199-D215 VanDerWaalsContact CE-OD1 3.26Å; K199-D215 WeakPolarHBondContact CE-OD1 3.33Å; K199-D215 WeakPolarHBondContact CE-OD2 3.14Å; K199-D215 IonicContact NZ-OD1 2.81Å; K199-D215 PolarHBondContact NZ-OD1 3.25Å; K199-D215 IonicContact NZ-OD2 2.65Å; K199-D215 PolarHBondContact NZ-OD2 3.38Å
200	I	98.9	Very high	98.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.9	167.1	-57.7	166.9	0	0	0	107.7	I134 L147 F159 F192 F198 V202 V211 V213	I134-I200 HydrophobicContact CB-CB 4.35Å; I134-I200 PolarHBondContact N-O 2.88Å; I134-I200 PolarHBondContact O-N 2.89Å; L147-I200 HydrophobicContact CD1-CD1 3.98Å; L147-I200 HydrophobicContact CD1-CG2 3.92Å; F159-I200 HydrophobicContact CE1-CD1 4.16Å; F192-I200 HydrophobicContact CE1-CD1 3.75Å; F192-I200 HydrophobicContact CE1-CG1 3.71Å; F192-I200 HydrophobicContact CZ-CD1 3.79Å; F192-I200 HydrophobicContact CZ-CG1 3.82Å; F198-I200 HydrophobicContact CD2-CD1 4.1Å; F198-I200 HydrophobicContact CD2-CG1 3.8Å; F198-I200 HydrophobicContact CE2-CD1 3.88Å; F198-I200 HydrophobicContact CE2-CG1 4.03Å; I200-V202 HydrophobicContact CG2-CG2 4.15Å; I200-V211 HydrophobicContact CG2-CG1 4.18Å; I200-V213 HydrophobicContact CG1-CG2 4.2Å
201	Q	98.8	Very high	98.7	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.037	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.3	172.2	-75.4	169.4	-83.5	0	0	109.8	L131 I132 T133 K199 V211 A212	L131-Q201 HydrophobicContact CD1-CB 4.17Å; I132-Q201 CarbonylContact O-C 3.53Å; I132-Q201 VanDerWaalsContact O-CA 3.31Å; I132-Q201 WeakPolarHBondContact O-CA 3.38Å; T133-Q201 HydrophobicContact CG2-CG 3.97Å; K199-Q201 HydrophobicContact CD-CG 4.31Å; K199-Q201 VanDerWaalsContact CD-OE1 3.29Å; K199-Q201 HydrophobicContact CG-CG 4.02Å; Q201-V211 WeakPolarHBondContact O-CA 3.49Å; Q201-A212 PolarHBondContact N-O 2.86Å; Q201-A212 PolarHBondContact O-N 2.9Å
202	V	98.9	Very high	98.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	107.6	177.8	-172.2	0	0	0	0	107.7	I132 F149 F157 I200 F209 K210 V211	I132-V202 HydrophobicContact CB-CB 4.39Å; I132-V202 WeakPolarHBondContact CD1-O 3.37Å; I132-V202 PolarHBondContact N-O 2.74Å; I132-V202 PolarHBondContact O-N 3.44Å; F149-V202 HydrophobicContact CE2-CG1 4.28Å; F149-V202 HydrophobicContact CE2-CG2 4.34Å; F149-V202 HydrophobicContact CZ-CB 4.12Å; F149-V202 HydrophobicContact CZ-CG1 3.92Å; F149-V202 HydrophobicContact CZ-CG2 4.17Å; F157-V202 HydrophobicContact CE1-CG1 4.45Å; I200-V202 HydrophobicContact CG2-CG2 4.15Å; V202-F209 HydrophobicContact CG1-CB 3.99Å; V202-F209 HydrophobicContact CG1-CD1 3.78Å; V202-F209 HydrophobicContact CG1-CG 4.32Å; V202-K210 WeakPolarHBondContact CA-O 3.26Å; V202-V211 HydrophobicContact CG1-CG2 4.47Å; V202-V211 HydrophobicContact CG2-CG2 4.33Å
203	L	98.8	Very high	98.7	Very high	22 Å²	22	37.6 Å²	37.6	12%	0.115	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.8	169.5	178.6	60.6	0	0	0	108.9	L131 E205 K210 I250	L131-L203 HydrophobicContact CB-CD1 4.37Å; L131-L203 HydrophobicContact CD1-CB 4.2Å; L203-E205 HydrophobicContact CD2-CG 4.14Å; L203-E205 HydrophobicContact CG-CG 4.11Å; L203-K210 HydrophobicContact CB-CB 4.37Å; L203-K210 PolarHBondContact N-O 2.96Å; L203-K210 PolarHBondContact O-N 2.93Å; L203-I250 HydrophobicContact CD1-CD1 3.62Å; L203-I250 HydrophobicContact CD1-CG1 3.94Å; L203-I250 HydrophobicContact CD2-CD1 4.13Å
204	V	98.8	Very high	98.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	116.4	172.5	-175.5	0	0	0	0	107.8	V126 V127 P128 R129 M130 I132 F209 L228	V126-V204 HydrophobicContact CB-CG1 4.35Å; V126-V204 HydrophobicContact CB-CG2 4.03Å; V126-V204 HydrophobicContact CG1-CG2 4.47Å; V126-V204 HydrophobicContact CG2-CG1 4.18Å; V126-V204 HydrophobicContact CG2-CG2 4.44Å; V127-V204 WeakPolarHBondContact O-CB 3.41Å; V127-V204 WeakPolarHBondContact O-CG1 3.31Å; P128-V204 CarbonylContact C-O 3.53Å; P128-V204 VanDerWaalsContact CA-O 3.31Å; P128-V204 WeakPolarHBondContact CA-O 3.37Å; R129-V204 PolarHBondContact N-O 2.8Å; M130-V204 HydrophobicContact CB-CB 4.27Å; M130-V204 HydrophobicContact CB-CG2 4.09Å; M130-V204 WeakPolarHBondContact O-CG2 3.49Å; M130-V204 PolarHBondContact O-N 3.36Å; I132-V204 HydrophobicContact CD1-CG2 3.88Å; V204-F209 HydrophobicContact CG2-CD1 4.04Å; V204-F209 HydrophobicContact CG2-CE1 3.97Å; V204-L228 HydrophobicContact CG1-CD1 4.45Å
205	E	98.6	Very high	98.6	Very high	49 Å²	49	38.8 Å²	38.8	23%	0.229	22%	0.217	C	C	.	.			trans	-107	167.7	171.8	-64.6	-164.4	-173	0	0	109.7	L203 D207 H208 K210 H223	L203-E205 HydrophobicContact CD2-CG 4.14Å; L203-E205 HydrophobicContact CG-CG 4.11Å; E205-D207 VanDerWaalsContact C-N 3.27Å; E205-D207 PolarHBondContact O-N 3.46Å; E205-H208 WeakPolarHBondContact CA-O 3.29Å; E205-H208 PolarHBondContact N-O 2.86Å; E205-H208 IonicContact OE2-CE1 3.44Å; E205-H208 PolarHBondContact OE2-CE1 3.2Å; E205-H208 IonicContact OE2-NE2 2.98Å; E205-H208 PolarHBondContact OE2-NE2 2.81Å; E205-K210 WeakPolarHBondContact OE1-CD 3.46Å; E205-K210 WeakPolarHBondContact OE1-CE 3.32Å; E205-K210 IonicContact OE1-NZ 2.71Å; E205-K210 PolarHBondContact OE1-NZ 2.88Å; E205-H223 PolarHBondContact O-NE2 2.65Å
206	P	98.4	Very high	98.6	Very high	91 Å²	91	39.5 Å²	39.5	59%	0.591	22%	0.219	S	C	*	.	S	Bend	trans	-57.1	-35.8	-175.9	-28.5	37.3	0	0	0	114.8	P128 H223	P128-P206 HydrophobicContact CB-CG 4.25Å; P128-P206 HydrophobicContact CG-CG 4.39Å; P206-H223 PolarHBondContact O-CD2 3.35Å
207	D	98.5	Very high	98.6	Very high	111 Å²	111	39 Å²	39	59%	0.594	22%	0.218	S	C	*	.	S	Bend	trans	-105.9	-21.2	-174.2	-64.3	-56.4	0	0	0	114.3	E205 N222 H223	E205-D207 VanDerWaalsContact C-N 3.27Å; E205-D207 PolarHBondContact O-N 3.46Å; D207-N222 WeakPolarHBondContact O-CA 3.44Å; D207-H223 PolarHBondContact O-CD2 2.89Å; D207-H223 PolarHBondContact O-N 3.38Å
208	H	98.8	Very high	98.6	Very high	17 Å²	17	34.9 Å²	34.9	8%	0.079	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	163.9	-171.1	66.1	-88.2	0	0	0	113.9	E205 Q220 Y221 H223	E205-H208 WeakPolarHBondContact CA-O 3.29Å; E205-H208 PolarHBondContact N-O 2.86Å; E205-H208 IonicContact OE2-CE1 3.44Å; E205-H208 PolarHBondContact OE2-CE1 3.2Å; E205-H208 IonicContact OE2-NE2 2.98Å; E205-H208 PolarHBondContact OE2-NE2 2.81Å; H208-Q220 HydrophobicContact CB-CB 4.5Å; H208-Q220 VanDerWaalsContact CD2-CG 3.49Å; H208-Q220 WeakPolarHBondContact CD2-CG 3.24Å; H208-Q220 VanDerWaalsContact NE2-CD 3.26Å; H208-Q220 PolarHBondContact NE2-NE2 2.89Å; H208-Y221 CarbonylContact C-O 3.5Å; H208-Y221 VanDerWaalsContact CA-O 3.24Å; H208-Y221 WeakPolarHBondContact CA-O 3.21Å; H208-Y221 WeakPolarHBondContact CB-O 3.47Å; H208-H223 PolarHBondContact N-CD2 2.88Å; H208-H223 VanDerWaalsContact N-CD2 3.31Å; H208-H223 PolarHBondContact N-NE2 2.9Å; H208-H223 PolarHBondContact O-CE1 2.71Å; H208-H223 PolarHBondContact O-NE2 3.4Å
209	F	98.9	Very high	98.6	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124	160.3	-64.5	-85.3	0	0	0	109.2	V126 F149 F157 V202 V204 Q220 Y221 H223 I231	V126-F209 HydrophobicContact CG2-CE1 4.18Å; V126-F209 HydrophobicContact CG2-CZ 4.21Å; F149-F209 HydrophobicContact CD1-CE1 4.22Å; F149-F209 HydrophobicContact CE1-CE1 4.32Å; F149-F209 HydrophobicContact CG-CE1 4.49Å; F157-F209 HydrophobicContact CB-CD2 3.8Å; F157-F209 HydrophobicContact CB-CE2 3.63Å; F157-F209 HydrophobicContact CB-CZ 4.27Å; F157-F209 HydrophobicContact CD1-CB 3.85Å; F157-F209 HydrophobicContact CD1-CD1 4.12Å; F157-F209 AromaticContact CD1-CD2 3.65Å; F157-F209 HydrophobicContact CD1-CD2 3.65Å; F157-F209 HydrophobicContact CD1-CE2 4.19Å; F157-F209 AromaticContact CD1-CG 3.61Å; F157-F209 HydrophobicContact CD1-CG 3.61Å; F157-F209 HydrophobicContact CE1-CB 3.76Å; F157-F209 HydrophobicContact CE1-CD2 4.4Å; F157-F209 HydrophobicContact CE1-CG 4.05Å; F157-F209 AromaticContact CG-CD2 3.87Å; F157-F209 HydrophobicContact CG-CD2 3.87Å; F157-F209 HydrophobicContact CG-CE2 4.21Å; F157-F209 HydrophobicContact CG-CG 4.3Å; V202-F209 HydrophobicContact CG1-CB 3.99Å; V202-F209 HydrophobicContact CG1-CD1 3.78Å; V202-F209 HydrophobicContact CG1-CG 4.32Å; V204-F209 HydrophobicContact CG2-CD1 4.04Å; V204-F209 HydrophobicContact CG2-CE1 3.97Å; F209-Q220 CarbonylContact O-C 3.6Å; F209-Q220 WeakPolarHBondContact O-CA 3.41Å; F209-Y221 HydrophobicContact CD2-CD1 4.42Å; F209-Y221 PolarHBondContact N-O 2.85Å; F209-Y221 PolarHBondContact O-N 2.95Å; F209-H223 AromaticContact CD2-CE1 3.47Å; F209-H223 VanDerWaalsContact CD2-CE1 3.47Å; F209-H223 WeakPolarHBondContact CD2-CE1 3.41Å; F209-H223 AromaticContact CD2-ND1 3.39Å; F209-H223 WeakPolarHBondContact CD2-ND1 3.49Å; F209-H223 AromaticContact CE2-CE1 3.45Å; F209-H223 VanDerWaalsContact CE2-CE1 3.45Å; F209-H223 WeakPolarHBondContact CE2-CE1 3.41Å; F209-H223 AromaticContact CE2-ND1 3.19Å; F209-H223 WeakPolarHBondContact CE2-ND1 3.34Å; F209-H223 AromaticContact CG-CE1 3.86Å; F209-H223 AromaticContact CZ-CE1 3.82Å; F209-H223 AromaticContact CZ-ND1 3.9Å; F209-I231 HydrophobicContact CZ-CD1 4.17Å
210	K	98.8	Very high	98.6	Very high	31 Å²	31	37.7 Å²	37.7	14%	0.135	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.7	174.3	-171.4	170.6	73.4	-167	0	109.3	A10 V202 L203 E205 Q220	A10-K210 PolarHBondContact O-NZ 3.39Å; V202-K210 WeakPolarHBondContact CA-O 3.26Å; L203-K210 HydrophobicContact CB-CB 4.37Å; L203-K210 PolarHBondContact N-O 2.96Å; L203-K210 PolarHBondContact O-N 2.93Å; E205-K210 WeakPolarHBondContact OE1-CD 3.46Å; E205-K210 WeakPolarHBondContact OE1-CE 3.32Å; E205-K210 IonicContact OE1-NZ 2.71Å; E205-K210 PolarHBondContact OE1-NZ 2.88Å; K210-Q220 HydrophobicContact CG-CG 4.35Å
211	V	98.9	Very high	98.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132	-179	-174.3	0	0	0	0	110.3	F157 F159 I200 Q201 V202 V213 H217 L218 L219	F157-V211 HydrophobicContact CE1-CG2 3.98Å; F157-V211 HydrophobicContact CZ-CG2 3.89Å; F159-V211 HydrophobicContact CD2-CG1 4.49Å; F159-V211 HydrophobicContact CE2-CG1 3.96Å; F159-V211 HydrophobicContact CZ-CG1 4.24Å; I200-V211 HydrophobicContact CG2-CG1 4.18Å; Q201-V211 WeakPolarHBondContact O-CA 3.49Å; V202-V211 HydrophobicContact CG1-CG2 4.47Å; V202-V211 HydrophobicContact CG2-CG2 4.33Å; V211-V213 HydrophobicContact CG1-CG2 4.34Å; V211-H217 PolarHBondContact O-ND1 2.97Å; V211-L218 HydrophobicContact CG1-CD2 4.32Å; V211-L218 PolarHBondContact O-N 2.89Å; V211-L219 HydrophobicContact CB-CD1 3.95Å; V211-L219 HydrophobicContact CB-CG 4.18Å; V211-L219 HydrophobicContact CG2-CD1 3.68Å; V211-L219 HydrophobicContact CG2-CG 4.43Å; V211-L219 PolarHBondContact N-O 2.89Å; V211-L219 PolarHBondContact O-N 3.4Å
212	A	98.7	Very high	98.6	Very high	11 Å²	11	41.9 Å²	41.9	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.2	166.3	0	0	0	0	0	109.6	Q201 A216	Q201-A212 PolarHBondContact N-O 2.86Å; Q201-A212 PolarHBondContact O-N 2.9Å; A212-A216 CarbonylContact C-O 3.59Å; A212-A216 WeakPolarHBondContact CA-O 3.36Å; A212-A216 WeakPolarHBondContact CB-O 3.17Å
213	V	98.7	Very high	98.6	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128.6	174.3	-176.9	0	0	0	0	109	P191 F192 K199 I200 V211 D215 A216 L218	P191-V213 HydrophobicContact CB-CB 4.33Å; P191-V213 HydrophobicContact CB-CG1 4.16Å; P191-V213 HydrophobicContact CG-CB 3.64Å; P191-V213 HydrophobicContact CG-CG1 3.72Å; P191-V213 HydrophobicContact CG-CG2 4.1Å; F192-V213 HydrophobicContact CD1-CG1 4.34Å; F192-V213 HydrophobicContact CE1-CG1 3.75Å; F192-V213 HydrophobicContact CE1-CG2 4.37Å; F192-V213 HydrophobicContact CE2-CG2 4.32Å; F192-V213 HydrophobicContact CZ-CB 4.46Å; F192-V213 HydrophobicContact CZ-CG1 3.88Å; F192-V213 HydrophobicContact CZ-CG2 3.72Å; K199-V213 CarbonylContact O-C 3.39Å; K199-V213 VanDerWaalsContact O-CA 3.24Å; K199-V213 WeakPolarHBondContact O-CA 3.31Å; I200-V213 HydrophobicContact CG1-CG2 4.2Å; V211-V213 HydrophobicContact CG1-CG2 4.34Å; V213-D215 VanDerWaalsContact C-N 3.28Å; V213-D215 PolarHBondContact O-N 3.02Å; V213-A216 PolarHBondContact N-O 2.83Å; V213-A216 PolarHBondContact O-N 2.92Å; V213-L218 HydrophobicContact CB-CD2 4.4Å; V213-L218 HydrophobicContact CG2-CD2 3.51Å
214	N	98.2	Very high	98.6	Very high	71 Å²	71	44.8 Å²	44.8	38%	0.38	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	49.2	-175.3	-55.1	-22.5	0	0	0	111.4	F198 K199 A216	F198-N214 WeakPolarHBondContact CA-OD1 3.42Å; K199-N214 PolarHBondContact N-OD1 2.82Å; K199-N214 PolarHBondContact O-N 2.77Å; N214-A216 PolarHBondContact O-N 2.84Å
215	D	97.6	Very high	98.6	Very high	77 Å²	77	45.2 Å²	45.2	41%	0.412	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	-9.9	-178.3	-58.1	-71.5	0	0	0	116.5	F5 K199 V213	F5-D215 WeakPolarHBondContact CD2-OD1 3.44Å; K199-D215 VanDerWaalsContact CE-CG 3.48Å; K199-D215 VanDerWaalsContact CE-OD1 3.26Å; K199-D215 WeakPolarHBondContact CE-OD1 3.33Å; K199-D215 WeakPolarHBondContact CE-OD2 3.14Å; K199-D215 IonicContact NZ-OD1 2.81Å; K199-D215 PolarHBondContact NZ-OD1 3.25Å; K199-D215 IonicContact NZ-OD2 2.65Å; K199-D215 PolarHBondContact NZ-OD2 3.38Å; V213-D215 VanDerWaalsContact C-N 3.28Å; V213-D215 PolarHBondContact O-N 3.02Å
216	A	98	Very high	98.5	Very high	59 Å²	59	50.4 Å²	50.4	49%	0.488	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	134.7	173.1	0	0	0	0	0	112	A212 V213 N214	A212-A216 CarbonylContact C-O 3.59Å; A212-A216 WeakPolarHBondContact CA-O 3.36Å; A212-A216 WeakPolarHBondContact CB-O 3.17Å; V213-A216 PolarHBondContact N-O 2.83Å; V213-A216 PolarHBondContact O-N 2.92Å; N214-A216 PolarHBondContact O-N 2.84Å
217	H	98.2	Very high	98.5	Very high	110 Å²	110	51.1 Å²	51.1	51%	0.509	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	140	170.1	178.9	59.2	0	0	0	111.2	V211 L219	V211-H217 PolarHBondContact O-ND1 2.97Å; H217-L219 VanDerWaalsContact CE1-C 3.45Å; H217-L219 PolarHBondContact CE1-O 2.85Å
218	L	98.5	Very high	98.5	Very high	12 Å²	12	46.9 Å²	46.9	6%	0.063	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-50.1	-173	175.2	62.4	0	0	0	113.7	F159 I171 Q187 V189 P191 V211 V213	F159-L218 HydrophobicContact CE2-CD2 3.92Å; F159-L218 HydrophobicContact CZ-CD2 3.91Å; I171-L218 HydrophobicContact CD1-CD1 4.25Å; I171-L218 HydrophobicContact CD1-CD2 3.65Å; I171-L218 HydrophobicContact CD1-CG 4.39Å; Q187-L218 HydrophobicContact CG-CD1 4.22Å; Q187-L218 PolarHBondContact NE2-O 3.13Å; V189-L218 HydrophobicContact CB-CD1 3.95Å; V189-L218 HydrophobicContact CG1-CD1 3.69Å; P191-L218 HydrophobicContact CG-CD1 4.17Å; P191-L218 HydrophobicContact CG-CD2 4.15Å; V211-L218 HydrophobicContact CG1-CD2 4.32Å; V211-L218 PolarHBondContact O-N 2.89Å; V213-L218 HydrophobicContact CB-CD2 4.4Å; V213-L218 HydrophobicContact CG2-CD2 3.51Å
219	L	98.7	Very high	98.5	Very high	20 Å²	20	51.2 Å²	51.2	11%	0.105	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	164.2	-179.8	60.7	82.1	0	0	0	112.2	F157 F159 I171 Q187 V211 H217	F157-L219 HydrophobicContact CZ-CD1 4.4Å; F159-L219 HydrophobicContact CD2-CD2 4.24Å; F159-L219 HydrophobicContact CE2-CD2 3.99Å; I171-L219 HydrophobicContact CG2-CD2 4.1Å; Q187-L219 HydrophobicContact CB-CD2 4.08Å; Q187-L219 HydrophobicContact CG-CD2 4.26Å; V211-L219 HydrophobicContact CB-CD1 3.95Å; V211-L219 HydrophobicContact CB-CG 4.18Å; V211-L219 HydrophobicContact CG2-CD1 3.68Å; V211-L219 HydrophobicContact CG2-CG 4.43Å; V211-L219 PolarHBondContact N-O 2.89Å; V211-L219 PolarHBondContact O-N 3.4Å; H217-L219 VanDerWaalsContact CE1-C 3.45Å; H217-L219 PolarHBondContact CE1-O 2.85Å
220	Q	98.8	Very high	98.5	Very high	96 Å²	96	54.4 Å²	54.4	45%	0.449	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147	164.7	-63.9	179.3	-5.1	0	0	108.6	H208 F209 K210	H208-Q220 HydrophobicContact CB-CB 4.5Å; H208-Q220 VanDerWaalsContact CD2-CG 3.49Å; H208-Q220 WeakPolarHBondContact CD2-CG 3.24Å; H208-Q220 VanDerWaalsContact NE2-CD 3.26Å; H208-Q220 PolarHBondContact NE2-NE2 2.89Å; F209-Q220 CarbonylContact O-C 3.6Å; F209-Q220 WeakPolarHBondContact O-CA 3.41Å; K210-Q220 HydrophobicContact CG-CG 4.35Å
221	Y	98.9	Very high	98.5	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	112.7	174.4	-175.3	-100.2	0	0	0	110.7	F157 C173 N174 T175 E185 H208 F209 R224	F157-Y221 HydrophobicContact CB-CD1 4.07Å; F157-Y221 HydrophobicContact CB-CE1 4.2Å; F157-Y221 AromaticContact CD2-CD1 3.17Å; F157-Y221 HydrophobicContact CD2-CD1 3.17Å; F157-Y221 HydrophobicContact CD2-CD2 4.25Å; F157-Y221 AromaticContact CD2-CE1 3.63Å; F157-Y221 HydrophobicContact CD2-CE1 3.63Å; F157-Y221 AromaticContact CD2-CG 3.52Å; F157-Y221 HydrophobicContact CD2-CG 3.52Å; F157-Y221 AromaticContact CE2-CD1 3.67Å; F157-Y221 HydrophobicContact CE2-CD1 3.67Å; F157-Y221 HydrophobicContact CE2-CD2 4.1Å; F157-Y221 HydrophobicContact CE2-CE1 4.41Å; F157-Y221 AromaticContact CE2-CG 3.48Å; F157-Y221 HydrophobicContact CE2-CG 3.48Å; F157-Y221 VanDerWaalsContact CE2-CG 3.48Å; F157-Y221 AromaticContact CG-CD1 3.75Å; F157-Y221 HydrophobicContact CG-CD1 3.75Å; F157-Y221 HydrophobicContact CG-CE1 4.25Å; F157-Y221 HydrophobicContact CG-CG 4.4Å; F157-Y221 HydrophobicContact CZ-CG 4.33Å; C173-Y221 HydrophobicContact CB-CD2 3.63Å; C173-Y221 HydrophobicContact CB-CE2 3.88Å; C173-Y221 HydrophobicContact CB-CG 4.44Å; N174-Y221 WeakPolarHBondContact CA-OH 3.46Å; N174-Y221 PolarHBondContact O-OH 2.85Å; T175-Y221 PolarHBondContact N-OH 2.92Å; T175-Y221 VanDerWaalsContact N-OH 3.13Å; T175-Y221 PolarHBondContact OG1-OH 3.4Å; E185-Y221 HydrophobicContact CB-CE2 4.39Å; E185-Y221 HydrophobicContact CG-CE2 4.39Å; E185-Y221 VanDerWaalsContact OE2-CD2 3.28Å; E185-Y221 WeakPolarHBondContact OE2-CD2 3.31Å; H208-Y221 CarbonylContact C-O 3.5Å; H208-Y221 VanDerWaalsContact CA-O 3.24Å; H208-Y221 WeakPolarHBondContact CA-O 3.21Å; H208-Y221 WeakPolarHBondContact CB-O 3.47Å; F209-Y221 HydrophobicContact CD2-CD1 4.42Å; F209-Y221 PolarHBondContact N-O 2.85Å; F209-Y221 PolarHBondContact O-N 2.95Å; Y221-R224 WeakPolarHBondContact OH-CD 3.29Å; Y221-R224 PolarHBondContact OH-NE 2.94Å; Y221-R224 PolarHBondContact OH-NH1 2.88Å
222	N	98.8	Very high	98.5	Very high	95 Å²	95	55.3 Å²	55.3	51%	0.508	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	138.8	-174.3	-72.4	-27.4	0	0	0	112.1	D207 R224	D207-N222 WeakPolarHBondContact O-CA 3.44Å; N222-R224 PolarHBondContact O-N 3.42Å
223	H	98.7	Very high	98.5	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.037	29%	0.29	C	S	.	.			trans	-64.6	100.8	-178.4	-66.8	-40.7	0	0	0	111.4	E205 P206 D207 H208 F209 K226 L228	E205-H223 PolarHBondContact O-NE2 2.65Å; P206-H223 PolarHBondContact O-CD2 3.35Å; D207-H223 PolarHBondContact O-CD2 2.89Å; D207-H223 PolarHBondContact O-N 3.38Å; H208-H223 PolarHBondContact N-CD2 2.88Å; H208-H223 VanDerWaalsContact N-CD2 3.31Å; H208-H223 PolarHBondContact N-NE2 2.9Å; H208-H223 PolarHBondContact O-CE1 2.71Å; H208-H223 PolarHBondContact O-NE2 3.4Å; F209-H223 AromaticContact CD2-CE1 3.47Å; F209-H223 VanDerWaalsContact CD2-CE1 3.47Å; F209-H223 WeakPolarHBondContact CD2-CE1 3.41Å; F209-H223 AromaticContact CD2-ND1 3.39Å; F209-H223 WeakPolarHBondContact CD2-ND1 3.49Å; F209-H223 AromaticContact CE2-CE1 3.45Å; F209-H223 VanDerWaalsContact CE2-CE1 3.45Å; F209-H223 WeakPolarHBondContact CE2-CE1 3.41Å; F209-H223 AromaticContact CE2-ND1 3.19Å; F209-H223 WeakPolarHBondContact CE2-ND1 3.34Å; F209-H223 AromaticContact CG-CE1 3.86Å; F209-H223 AromaticContact CZ-CE1 3.82Å; F209-H223 AromaticContact CZ-ND1 3.9Å; H223-K226 WeakPolarHBondContact O-CD 3.41Å; H223-K226 VanDerWaalsContact O-CE 3.24Å; H223-K226 WeakPolarHBondContact O-CE 3.36Å; H223-K226 PolarHBondContact O-NZ 2.86Å; H223-L228 HydrophobicContact CB-CD2 4.35Å
224	R	98.6	Very high	98.5	Very high	76 Å²	76	57.6 Å²	57.6	29%	0.287	29%	0.29	S	S	.	.	S	Bend	trans	-77.8	-39.8	171.4	-56.3	-166.3	-171.4	163.4	1	111.4	N174 T175 R183 E185 Y221 N222	N174-R224 PolarHBondContact OD1-NH1 3.49Å; T175-R224 HydrophobicContact CG2-CB 4.23Å; T175-R224 WeakPolarHBondContact OG1-CD 3.48Å; R183-R224 VanDerWaalsContact O-CZ 3.26Å; R183-R224 PolarHBondContact O-NH1 2.98Å; R183-R224 PolarHBondContact O-NH2 3.08Å; E185-R224 IonicContact OE1-CZ 3.59Å; E185-R224 IonicContact OE1-NE 3.69Å; E185-R224 IonicContact OE1-NH2 2.68Å; E185-R224 PolarHBondContact OE1-NH2 2.83Å; Y221-R224 WeakPolarHBondContact OH-CD 3.29Å; Y221-R224 PolarHBondContact OH-NE 2.94Å; Y221-R224 PolarHBondContact OH-NH1 2.88Å; N222-R224 PolarHBondContact O-N 3.42Å
225	V	98.5	Very high	98.5	Very high	10 Å²	10	54.7 Å²	54.7	6%	0.061	28%	0.276	C	S	.	.	S	Bend	trans	-84.1	118.2	167.1	171.2	0	0	0	0	108.7	R151 A156 T175 L177 I231	R151-V225 VanDerWaalsContact CD-CG1 3.42Å; A156-V225 HydrophobicContact CB-CB 3.75Å; A156-V225 HydrophobicContact CB-CG1 4.15Å; A156-V225 HydrophobicContact CB-CG2 3.78Å; T175-V225 HydrophobicContact CG2-CG2 4.13Å; L177-V225 HydrophobicContact CD2-CG2 3.75Å; V225-I231 HydrophobicContact CG1-CD1 4.27Å; V225-I231 HydrophobicContact CG1-CG1 4.3Å
226	K	98.3	Very high	98.6	Very high	158 Å²	158	51 Å²	51	69%	0.687	26%	0.257	S	S	*	.			trans	-86.5	-21.8	-175.5	-60.2	-54.7	-169.7	-177.5	0	114.7	H223 L228	H223-K226 WeakPolarHBondContact O-CD 3.41Å; H223-K226 VanDerWaalsContact O-CE 3.24Å; H223-K226 WeakPolarHBondContact O-CE 3.36Å; H223-K226 PolarHBondContact O-NZ 2.86Å; K226-L228 VanDerWaalsContact C-N 3.34Å; K226-L228 PolarHBondContact O-N 2.81Å; K226-L228 VanDerWaalsContact O-N 3.08Å
227	K	98.3	Very high	98.6	Very high	105 Å²	105	49.3 Å²	49.3	46%	0.457	24%	0.241	S	C	.	.			trans	-85	74.3	179.1	-65.2	-166.1	175.9	-174.4	0	111.1	N229 E230	K227-N229 VanDerWaalsContact C-N 3.26Å; K227-N229 PolarHBondContact O-N 3.47Å; K227-E230 HydrophobicContact CB-CB 4.25Å; K227-E230 HydrophobicContact CB-CG 4.12Å; K227-E230 HydrophobicContact CD-CG 4.22Å; K227-E230 WeakPolarHBondContact CD-OE1 3.44Å; K227-E230 VanDerWaalsContact CD-OE2 3.26Å; K227-E230 WeakPolarHBondContact CD-OE2 3.37Å; K227-E230 IonicContact NZ-OE1 2.75Å; K227-E230 PolarHBondContact NZ-OE1 3.48Å; K227-E230 IonicContact NZ-OE2 3.74Å; K227-E230 PolarHBondContact O-N 2.84Å
228	L	98.6	Very high	98.6	Very high	23 Å²	23	45 Å²	45	12%	0.12	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-59.4	-36.7	-174.9	-60.3	-174.3	0	0	0	112.9	V126 V204 H223 K226 E230 I231	V126-L228 HydrophobicContact CG2-CB 3.83Å; V126-L228 HydrophobicContact CG2-CD2 4.22Å; V126-L228 HydrophobicContact CG2-CG 4.48Å; V126-L228 PolarHBondContact N-O 3.47Å; V126-L228 CarbonylContact O-C 3.58Å; V126-L228 VanDerWaalsContact O-CB 3.23Å; V126-L228 WeakPolarHBondContact O-CB 3.47Å; V204-L228 HydrophobicContact CG1-CD1 4.45Å; H223-L228 HydrophobicContact CB-CD2 4.35Å; K226-L228 VanDerWaalsContact C-N 3.34Å; K226-L228 PolarHBondContact O-N 2.81Å; K226-L228 VanDerWaalsContact O-N 3.08Å; L228-E230 PolarHBondContact O-N 3.44Å; L228-I231 HydrophobicContact CD2-CD1 3.79Å; L228-I231 WeakPolarHBondContact O-CB 3.3Å; L228-I231 PolarHBondContact O-N 2.91Å
229	N	98.3	Very high	98.6	Very high	107 Å²	107	47 Å²	47	57%	0.572	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-65.1	-13.1	175.1	66.9	-33.6	0	0	0	114.8	G124 G125 K227	G124-N229 CarbonylContact C-O 3.22Å; G124-N229 VanDerWaalsContact O-CA 3.29Å; G124-N229 WeakPolarHBondContact O-CA 3.36Å; G125-N229 WeakPolarHBondContact CA-O 3.4Å; K227-N229 VanDerWaalsContact C-N 3.26Å; K227-N229 PolarHBondContact O-N 3.47Å
230	E	98.6	Very high	98.6	Very high	69 Å²	69	46.1 Å²	46.1	32%	0.322	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-94.3	-3.8	172.8	-63.3	-178.7	-175.5	0	0	112.5	R151 K227 L228 S232	R151-E230 WeakPolarHBondContact CA-O 3.35Å; R151-E230 HydrophobicContact CG-CB 3.86Å; R151-E230 IonicContact CZ-OE2 3.19Å; R151-E230 IonicContact NE-OE2 2.88Å; R151-E230 PolarHBondContact NE-OE2 2.93Å; R151-E230 IonicContact NH2-OE2 2.74Å; R151-E230 PolarHBondContact NH2-OE2 2.86Å; K227-E230 HydrophobicContact CB-CB 4.25Å; K227-E230 HydrophobicContact CB-CG 4.12Å; K227-E230 HydrophobicContact CD-CG 4.22Å; K227-E230 WeakPolarHBondContact CD-OE1 3.44Å; K227-E230 VanDerWaalsContact CD-OE2 3.26Å; K227-E230 WeakPolarHBondContact CD-OE2 3.37Å; K227-E230 IonicContact NZ-OE1 2.75Å; K227-E230 PolarHBondContact NZ-OE1 3.48Å; K227-E230 IonicContact NZ-OE2 3.74Å; K227-E230 PolarHBondContact O-N 2.84Å; L228-E230 PolarHBondContact O-N 3.44Å; E230-S232 PolarHBondContact O-N 2.85Å; E230-S232 VanDerWaalsContact O-N 3.09Å
231	I	98.7	Very high	98.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.			trans	-84	75.1	177.6	-52.2	175.4	0	0	0	109.6	G125 V126 F149 Q150 R151 A156 F209 V225 L228	G125-I231 VanDerWaalsContact CA-O 3.31Å; G125-I231 WeakPolarHBondContact CA-O 3.1Å; V126-I231 HydrophobicContact CG1-CB 4.47Å; V126-I231 HydrophobicContact CG1-CG2 4.37Å; V126-I231 HydrophobicContact CG2-CB 4.13Å; V126-I231 HydrophobicContact CG2-CD1 3.94Å; F149-I231 HydrophobicContact CB-CG2 3.8Å; F149-I231 HydrophobicContact CD1-CG2 4.39Å; Q150-I231 CarbonylContact O-C 3.6Å; Q150-I231 WeakPolarHBondContact O-CA 3.24Å; R151-I231 HydrophobicContact CB-CG1 4.32Å; A156-I231 HydrophobicContact CB-CD1 3.48Å; A156-I231 VanDerWaalsContact CB-CD1 3.48Å; A156-I231 HydrophobicContact CB-CG1 3.84Å; A156-I231 HydrophobicContact CB-CG2 4.24Å; F209-I231 HydrophobicContact CZ-CD1 4.17Å; V225-I231 HydrophobicContact CG1-CD1 4.27Å; V225-I231 HydrophobicContact CG1-CG1 4.3Å; L228-I231 HydrophobicContact CD2-CD1 3.79Å; L228-I231 WeakPolarHBondContact O-CB 3.3Å; L228-I231 PolarHBondContact O-N 2.91Å
232	S	98.4	Very high	98.6	Very high	51 Å²	51	45.2 Å²	45.2	36%	0.357	23%	0.231	S	C	.	.			trans	-95.7	2.4	-163	59.8	0	0	0	0	116.6	L122 Q150 E230	L122-S232 PolarHBondContact N-O 3.06Å; L122-S232 WeakPolarHBondContact O-CA 3.26Å; Q150-S232 PolarHBondContact O-N 2.88Å; Q150-S232 VanDerWaalsContact O-N 3.13Å; E230-S232 PolarHBondContact O-N 2.85Å; E230-S232 VanDerWaalsContact O-N 3.09Å
233	K	98.6	Very high	98.5	Very high	62 Å²	62	45.1 Å²	45.1	27%	0.27	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146	177.8	-67.2	172.3	-75.3	156.7	0	111	Q150 G152	Q150-K233 HydrophobicContact CB-CB 4.21Å; Q150-K233 PolarHBondContact N-O 2.97Å; G152-K233 PolarHBondContact O-NZ 2.93Å
234	L	98.8	Very high	98.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.6	163.4	170.1	59.5	0	0	0	109.6	L120 L122 I132 I134 L147 F149 I236	L120-L234 HydrophobicContact CB-CB 4.29Å; L120-L234 HydrophobicContact CD2-CD2 4.4Å; L120-L234 PolarHBondContact N-O 3.12Å; L120-L234 PolarHBondContact O-N 2.9Å; L122-L234 HydrophobicContact CD1-CB 4.04Å; I132-L234 HydrophobicContact CG2-CD2 3.72Å; I134-L234 HydrophobicContact CD1-CD2 4.17Å; L147-L234 HydrophobicContact CB-CD1 4.07Å; F149-L234 HydrophobicContact CD1-CD1 4.26Å; F149-L234 HydrophobicContact CD2-CD1 3.88Å; F149-L234 HydrophobicContact CE1-CD1 4.21Å; F149-L234 HydrophobicContact CE1-CD2 4.15Å; F149-L234 HydrophobicContact CE2-CD1 3.82Å; F149-L234 HydrophobicContact CG-CD1 4.11Å; F149-L234 HydrophobicContact CZ-CD1 3.99Å; F149-L234 HydrophobicContact CZ-CD2 4Å; L234-I236 HydrophobicContact CD2-CD1 4.46Å; L234-I236 HydrophobicContact CD2-CG1 4.45Å; L234-I236 HydrophobicContact CG-CG1 4.04Å
235	G	98.7	Very high	98.5	Very high	9 Å²	9	43.5 Å²	43.5	9%	0.093	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.7	167.8	0	0	0	0	0	110.6	Y118 L147 D148	Y118-G235 CarbonylContact O-C 3.48Å; Y118-G235 WeakPolarHBondContact O-CA 3.33Å; L147-G235 CarbonylContact C-O 3.59Å; L147-G235 WeakPolarHBondContact CA-O 3.19Å; D148-G235 PolarHBondContact N-O 3.18Å; D148-G235 PolarHBondContact O-N 3.02Å
236	I	98.8	Very high	98.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.4	176.6	-52.1	-177.8	0	0	0	107.3	P117 Y118 I134 L147 L234 I240 L242 A245	P117-I236 CarbonylContact C-O 3.54Å; P117-I236 VanDerWaalsContact CA-O 3.31Å; P117-I236 WeakPolarHBondContact CA-O 3.26Å; Y118-I236 HydrophobicContact CD1-CD1 4.24Å; Y118-I236 PolarHBondContact N-O 3.23Å; Y118-I236 PolarHBondContact O-N 2.81Å; I134-I236 HydrophobicContact CD1-CD1 3.98Å; I134-I236 HydrophobicContact CG1-CD1 3.93Å; I134-I236 HydrophobicContact CG2-CD1 4.14Å; L147-I236 HydrophobicContact CD2-CB 4.24Å; L147-I236 HydrophobicContact CD2-CG1 3.99Å; L147-I236 HydrophobicContact CD2-CG2 3.83Å; L234-I236 HydrophobicContact CD2-CD1 4.46Å; L234-I236 HydrophobicContact CD2-CG1 4.45Å; L234-I236 HydrophobicContact CG-CG1 4.04Å; I236-I240 HydrophobicContact CG2-CD1 3.78Å; I236-L242 HydrophobicContact CD1-CD1 4.5Å; I236-L242 HydrophobicContact CD1-CD2 4.28Å; I236-L242 HydrophobicContact CG2-CD1 4.36Å; I236-L242 HydrophobicContact CG2-CD2 4.37Å; I236-A245 HydrophobicContact CD1-CB 3.52Å
237	S	98.8	Very high	98.4	Very high	22 Å²	22	43.2 Å²	43.2	15%	0.154	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	168.1	-173.8	71.7	0	0	0	0	113	A146	A146-S237 PolarHBondContact N-O 2.76Å; A146-S237 PolarHBondContact O-N 2.75Å
238	G	98.5	Very high	98.4	Very high	21 Å²	21	42 Å²	42	22%	0.216	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.7	-162.4	178.6	0	0	0	0	0	113.5	R144 I240	R144-G238 CarbonylContact O-C 3.59Å; R144-G238 VanDerWaalsContact O-CA 3.29Å; R144-G238 WeakPolarHBondContact O-CA 3.4Å; G238-I240 VanDerWaalsContact C-N 3.29Å; G238-I240 PolarHBondContact O-N 3.04Å
239	D	98.7	Very high	98.4	Very high	53 Å²	53	45.7 Å²	45.7	28%	0.283	26%	0.259	S	S	.	.	S	Bend	trans	-88.9	64.2	-161.2	-51.9	-47.1	0	0	0	111.2	K139 A142 N143 R144	K139-D239 HydrophobicContact CB-CB 4.37Å; K139-D239 WeakPolarHBondContact CB-O 3.27Å; K139-D239 PolarHBondContact N-O 2.94Å; A142-D239 HydrophobicContact CB-CB 3.65Å; N143-D239 WeakPolarHBondContact CA-OD2 3.23Å; N143-D239 WeakPolarHBondContact CB-OD2 3.21Å; N143-D239 PolarHBondContact N-OD2 2.94Å; R144-D239 PolarHBondContact N-OD2 3.11Å; R144-D239 PolarHBondContact O-N 3.48Å
240	I	98.7	Very high	98.2	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	158.7	-179.7	66.4	173.9	0	0	0	111.5	V116 T137 K139 I145 F198 I236 G238 L242	V116-I240 HydrophobicContact CG1-CG1 4.35Å; V116-I240 HydrophobicContact CG2-CD1 4.48Å; V116-I240 HydrophobicContact CG2-CG1 4.04Å; T137-I240 CarbonylContact O-C 3.52Å; T137-I240 VanDerWaalsContact O-CA 3.27Å; T137-I240 WeakPolarHBondContact O-CA 2.87Å; K139-I240 WeakPolarHBondContact CE-O 3.11Å; K139-I240 PolarHBondContact NZ-O 2.81Å; I145-I240 HydrophobicContact CD1-CG2 3.86Å; I145-I240 HydrophobicContact CG1-CG2 3.65Å; F198-I240 HydrophobicContact CE1-CB 4.06Å; F198-I240 HydrophobicContact CE1-CG2 3.63Å; F198-I240 HydrophobicContact CZ-CB 4.26Å; F198-I240 HydrophobicContact CZ-CD1 3.98Å; F198-I240 HydrophobicContact CZ-CG2 3.9Å; I236-I240 HydrophobicContact CG2-CD1 3.78Å; G238-I240 VanDerWaalsContact C-N 3.29Å; G238-I240 PolarHBondContact O-N 3.04Å; I240-L242 HydrophobicContact CD1-CB 4.3Å; I240-L242 HydrophobicContact CD1-CD1 4.21Å
241	D	98.2	Very high	98.2	Very high	78 Å²	78	42.7 Å²	42.7	42%	0.417	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.8	156.1	-65.2	-52.7	0	0	0	107.9	G136 T137 K139	G136-D241 CarbonylContact C-O 3.41Å; G136-D241 WeakPolarHBondContact CA-O 3.39Å; T137-D241 PolarHBondContact N-O 2.72Å; T137-D241 PolarHBondContact O-N 3.23Å; K139-D241 WeakPolarHBondContact CE-OD1 3.34Å; K139-D241 VanDerWaalsContact CE-OD2 3.23Å; K139-D241 WeakPolarHBondContact CE-OD2 3.5Å; K139-D241 IonicContact NZ-OD1 2.65Å; K139-D241 PolarHBondContact NZ-OD1 3.13Å
242	L	98.4	Very high	98.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.2	-171	-178	66.8	0	0	0	110.4	L114 V116 Y118 I134 I236 I240 A245	L114-L242 HydrophobicContact CB-CB 4.07Å; L114-L242 HydrophobicContact CB-CD2 3.76Å; L114-L242 HydrophobicContact CB-CG 3.9Å; L114-L242 HydrophobicContact CD1-CD2 3.91Å; L114-L242 HydrophobicContact CD1-CG 4.05Å; L114-L242 HydrophobicContact CG-CD2 4.49Å; L114-L242 PolarHBondContact N-O 3.47Å; V116-L242 HydrophobicContact CG2-CB 3.67Å; Y118-L242 VanDerWaalsContact CB-CD2 3.46Å; Y118-L242 HydrophobicContact CD1-CD2 3.82Å; Y118-L242 HydrophobicContact CD2-CD2 4.37Å; Y118-L242 HydrophobicContact CG-CD2 3.63Å; I134-L242 HydrophobicContact CG2-CD1 3.62Å; I236-L242 HydrophobicContact CD1-CD1 4.5Å; I236-L242 HydrophobicContact CD1-CD2 4.28Å; I236-L242 HydrophobicContact CG2-CD1 4.36Å; I236-L242 HydrophobicContact CG2-CD2 4.37Å; I240-L242 HydrophobicContact CD1-CB 4.3Å; I240-L242 HydrophobicContact CD1-CD1 4.21Å; L242-A245 HydrophobicContact CD2-CB 4.45Å
243	T	97.6	Very high	98.2	Very high	93 Å²	93	44.6 Å²	44.6	57%	0.571	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	-46.8	179.8	-51.9	0	0	0	0	111.2	L135	L135-T243 WeakPolarHBondContact O-CA 3.46Å; L135-T243 WeakPolarHBondContact O-CB 3.23Å; L135-T243 PolarHBondContact O-N 2.95Å
244	S	97.5	Very high	98.2	Very high	38 Å²	38	43.6 Å²	43.6	27%	0.266	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	153.5	175.6	66.5	0	0	0	0	112	I134 L135	I134-S244 WeakPolarHBondContact CA-O 3.15Å; L135-S244 PolarHBondContact N-O 3.43Å; L135-S244 PolarHBondContact O-N 3.25Å
245	A	98.3	Very high	98.1	Very high	12 Å²	12	46.3 Å²	46.3	10%	0.099	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	119.6	169.1	0	0	0	0	0	108	Y118 L120 T133 I134 I236 L242	Y118-A245 HydrophobicContact CD1-CB 4.12Å; Y118-A245 HydrophobicContact CE1-CB 3.92Å; L120-A245 HydrophobicContact CD2-CB 4.27Å; T133-A245 WeakPolarHBondContact O-CA 3.4Å; I134-A245 HydrophobicContact CG1-CB 4.48Å; I236-A245 HydrophobicContact CD1-CB 3.52Å; L242-A245 HydrophobicContact CD2-CB 4.45Å
246	S	98.1	Very high	98.1	Very high	59 Å²	59	48.8 Å²	48.8	41%	0.413	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	170	-175.4	65	0	0	0	0	111.2	I132 T133	I132-S246 WeakPolarHBondContact CA-O 3.27Å; I132-S246 WeakPolarHBondContact CG2-O 3.36Å; T133-S246 PolarHBondContact N-O 3.44Å; T133-S246 PolarHBondContact O-N 2.75Å
247	Y	98.4	Very high	98	Very high	103 Å²	103	52.2 Å²	52.2	40%	0.404	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	155.2	172.1	62.9	-95.2	0	0	0	110.8	L120 L122 P123 M130 L131	L120-Y247 HydrophobicContact CD2-CD1 4.28Å; L122-Y247 HydrophobicContact CD2-CD1 3.63Å; L122-Y247 HydrophobicContact CD2-CE1 3.98Å; L122-Y247 HydrophobicContact CD2-CG 4.3Å; P123-Y247 WeakPolarHBondContact CD-OH 3.5Å; M130-Y247 HydrophobicContact CE-CD1 4.08Å; M130-Y247 HydrophobicContact CE-CD2 3.35Å; M130-Y247 HydrophobicContact CE-CE1 4.46Å; M130-Y247 HydrophobicContact CE-CE2 3.81Å; M130-Y247 HydrophobicContact CE-CG 3.51Å; L131-Y247 CarbonylContact O-C 3.55Å; L131-Y247 VanDerWaalsContact O-CA 3.24Å; L131-Y247 WeakPolarHBondContact O-CA 3.46Å
248	T	98.1	Very high	98	Very high	78 Å²	78	54.5 Å²	54.5	48%	0.479	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	162.5	170.2	-172.1	0	0	0	0	109.5	L131 I250	L131-T248 HydrophobicContact CB-CG2 4.25Å; L131-T248 PolarHBondContact N-O 3.4Å; L131-T248 PolarHBondContact O-N 2.98Å; T248-I250 HydrophobicContact CG2-CG2 4.05Å
249	M	98	Very high	97.9	Very high	102 Å²	102	57.3 Å²	57.3	50%	0.502	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	144.6	160.9	-62.5	-53.8	-60.5	0	0	109.1	V127 P128 R129 M130	V127-M249 HydrophobicContact CG1-CE 3.77Å; V127-M249 HydrophobicContact CG1-SD 3.84Å; P128-M249 WeakPolarHBondContact O-CE 3.31Å; R129-M249 HydrophobicContact CB-CE 3.9Å; M130-M249 HydrophobicContact CB-CE 4.49Å; M130-M249 HydrophobicContact CB-SD 3.9Å; M130-M249 HydrophobicContact CG-SD 4.25Å
250	I	95	Very high	97.8	Very high	70 Å²	70	57.7 Å²	57.7	36%	0.359	32%	0.32	S	S	.	.			trans	-121.2	0	170.8	65.4	166.7	0	0	0	112.1	R129 L131 L203 T248	R129-I250 WeakPolarHBondContact CB-O 3.37Å; R129-I250 VanDerWaalsContact CZ-O 3.31Å; R129-I250 PolarHBondContact NE-O 3.37Å; R129-I250 VanDerWaalsContact NH2-C 3.27Å; R129-I250 PolarHBondContact NH2-O 3.31Å; R129-I250 VanDerWaalsContact NH2-O 3.08Å; R129-I250 PolarHBondContact NH2-OXT 2.76Å; R129-I250 WeakPolarHBondContact O-CG1 3.29Å; R129-I250 PolarHBondContact O-N 2.68Å; L131-I250 HydrophobicContact CB-CG1 4.48Å; L131-I250 HydrophobicContact CB-CG2 3.95Å; L131-I250 HydrophobicContact CD2-CG2 3.87Å; L203-I250 HydrophobicContact CD1-CD1 3.62Å; L203-I250 HydrophobicContact CD1-CG1 3.94Å; L203-I250 HydrophobicContact CD2-CD1 4.13Å; T248-I250 HydrophobicContact CG2-CG2 4.05Å

Retrieved 250 of 250 residues in 584.1 ms (Link to these results)

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