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Palmitoyl-protein thioesterase ABHD10, mitochondrial

Acts as an acyl-protein thioesterase that hydrolyzes fatty acids from acylated residues in proteins. Regulates the mitochondrial S-depalmitoylation of the nucleophilic active site residue of peroxiredoxin-5/PRDX5, a key antioxidant protein, therefore modulating mitochondrial antioxidant ability. Also catalyzes the deglucuronidation of mycophenolic acid acyl-glucuronide, an active metabolite of the immunosuppressant drug mycophenolate.

AlphaFold DB , UniProt , Accession A0A096MS98, Species PAPAN (Papio anubis, Olive baboon), Gene ABHD10, Length 306 aa.

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(Predicted Aligned Error values between residue pairs)

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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	41.5	Very low	34.2	Very low	250 Å²	250	139.2 Å²	139.2	100%	1.232	87%	0.869	S	S	*	*				0	117.3	0	-80.5	-136.1	-109.3	0	0	108.8
2	A	34.2	Very low	33.6	Very low	94 Å²	94	148.4 Å²	148.4	78%	0.777	88%	0.876	S	S	*	*			trans	156.2	80.4	166.7	0	0	0	0	0	106.4
3	V	34	Very low	33.5	Very low	155 Å²	155	147.3 Å²	147.3	94%	0.939	87%	0.871	S	S	*	*				70.4	118.5	88.7	-175.3	0	0	0	0	112.9
4	A	33.5	Very low	33.9	Very low	90 Å²	90	145 Å²	145	74%	0.744	86%	0.862	S	S	*	*			trans	-79.8	150.9	-167.5	0	0	0	0	0	113.9
5	R	34.6	Very low	33.4	Very low	241 Å²	241	150.5 Å²	150.5	91%	0.909	86%	0.864	S	S	*	*			trans	-89.8	135.5	157.2	-77	-178.1	171.4	-172	-2.3	108.7
6	L	34.2	Very low	33.4	Very low	174 Å²	174	156.4 Å²	156.4	91%	0.911	87%	0.868	S	S	*	*			trans	-155.7	122.4	149.4	-105.5	134	0	0	0	110
7	A	32.7	Very low	33.4	Very low	96 Å²	96	152.4 Å²	152.4	79%	0.793	85%	0.853	S	S	*	*			trans	-78.2	141.1	171.7	0	0	0	0	0	109.5
8	A	33.4	Very low	33.2	Very low	105 Å²	105	158 Å²	158	87%	0.868	86%	0.859	S	S	*	*			trans	-111.8	128.6	171.9	0	0	0	0	0	110.1
9	V	32.9	Very low	33	Very low	138 Å²	138	153.5 Å²	153.5	84%	0.836	85%	0.853	S	S	*	*			trans	-86.7	139.5	-176.4	175.1	0	0	0	0	109.7
10	A	32.3	Very low	33	Very low	92 Å²	92	159.1 Å²	159.1	76%	0.76	86%	0.861	S	S	*	*			trans	-69	134.2	173.9	0	0	0	0	0	111.8
11	A	32.7	Very low	32.9	Very low	96 Å²	96	156.5 Å²	156.5	79%	0.793	86%	0.861	S	S	*	*			trans	-106	118.3	174	0	0	0	0	0	110.7
12	W	27.2	Very low	32.9	Very low	250 Å²	250	149.4 Å²	149.4	95%	0.947	84%	0.842	S	S	*	*			trans	-75	142.6	164	-91.7	38.1	0	0	0	110.7
13	V	32.7	Very low	32.8	Very low	134 Å²	134	149.6 Å²	149.6	81%	0.812	84%	0.843	S	S	*	*			trans	-133.6	139.8	166.4	178	0	0	0	0	108.5
14	P	38.2	Very low	32.9	Very low	115 Å²	115	148.2 Å²	148.2	75%	0.747	84%	0.838	S	S	*	*			trans	-97	162	-152.7	37.2	-34.2	0	0	0	115.7
15	Y	26.8	Very low	33.2	Very low	227 Å²	227	151.2 Å²	151.2	89%	0.89	85%	0.847	S	S	*	*			trans	-49.5	137.4	167.1	-122.2	-108	0	0	0	113.7
16	R	33.3	Very low	33.1	Very low	245 Å²	245	142.2 Å²	142.2	93%	0.925	83%	0.829	S	S	*	*			trans	-122.2	128.3	155.6	-88.5	-172.6	174.4	-162.9	-0.7	109.2
17	S	33.8	Very low	33.3	Very low	89 Å²	89	140 Å²	140	62%	0.622	83%	0.825	S	S	*	*			trans	-88.2	-164.1	178.3	62.5	0	0	0	0	111.6
18	W	29.9	Very low	33.4	Very low	253 Å²	253	144.6 Å²	144.6	96%	0.958	83%	0.829	S	S	*	*			trans	91.7	126.2	179.3	-57.2	52.1	0	0	0	111.9
19	G	28.5	Very low	33.4	Very low	72 Å²	72	151.1 Å²	151.1	74%	0.742	83%	0.832	S	S	*	*			cis	175.1	149.8	2.8	0	0	0	0	0	105.8
20	W	33.5	Very low	33.4	Very low	266 Å²	266	147.7 Å²	147.7	100%	1.008	83%	0.825	S	S	*	*			trans	-70.6	136.3	-174.5	-75.5	50.9	0	0	0	112.1
21	A	29.8	Very low	33.5	Very low	104 Å²	104	150.4 Å²	150.4	86%	0.86	83%	0.825	S	S	*	*			trans	-144.4	111.2	158.2	0	0	0	0	0	109.3
22	A	41.8	Very low	33.8	Very low	102 Å²	102	149.9 Å²	149.9	84%	0.843	83%	0.83	S	S	*	*			trans	-88.9	134.2	170.3	0	0	0	0	0	109.6
23	A	32.8	Very low	34.3	Very low	97 Å²	97	142 Å²	142	80%	0.802	82%	0.817	S	S	*	*			trans	-160.9	162.5	166.4	0	0	0	0	0	109.1
24	P	37.1	Very low	34.3	Very low	126 Å²	126	142.7 Å²	142.7	82%	0.818	82%	0.816	S	S	*	*				-109.7	163.5	-99.7	25.8	-7.9	0	0	0	113.9	G26	P24-G26 PolarHBondContact O-N 3.43Å
25	V	39.9	Very low	34.2	Very low	154 Å²	154	146 Å²	146	93%	0.933	83%	0.827	S	S	*	*			trans	-72	118.2	173.7	178.1	0	0	0	0	109.9
26	G	31.7	Very low	34.9	Very low	52 Å²	52	139.2 Å²	139.2	54%	0.536	82%	0.817	S	S	.	*			trans	-109	152.7	166.4	0	0	0	0	0	111.3	P24	P24-G26 PolarHBondContact O-N 3.43Å
27	P	38.8	Very low	35	Very low	128 Å²	128	135.6 Å²	135.6	83%	0.831	82%	0.815	S	S	*	*			trans	-89.7	119.7	-162.9	33.7	-30.1	0	0	0	111.7
28	H	35.1	Very low	35.2	Very low	191 Å²	191	138.8 Å²	138.8	88%	0.884	82%	0.823	S	S	*	*			trans	-101.6	113.1	165.3	-88.4	-69.1	0	0	0	111.4
29	R	33.4	Very low	35.4	Very low	242 Å²	242	131.6 Å²	131.6	91%	0.913	81%	0.81	S	S	*	*			trans	-54.1	135.6	165.4	-72.8	175.6	166.5	-173.7	-4.4	111
30	G	31.9	Very low	35.9	Very low	67 Å²	67	137 Å²	137	69%	0.691	82%	0.815	S	S	*	*			trans	71.5	96.6	133.6	0	0	0	0	0	118.1
31	L	34	Very low	36	Very low	148 Å²	148	135.4 Å²	135.4	78%	0.775	81%	0.809	S	S	*	*			trans	-148.3	48.2	146	-108.8	136.3	0	0	0	110.2	A33 L34	L31-A33 VanDerWaalsContact C-N 3.25Å; L31-A33 PolarHBondContact O-N 3.23Å; L31-L34 HydrophobicContact CD2-CD1 3.76Å
32	G	38.9	Very low	36.3	Very low	86 Å²	86	134.2 Å²	134.2	89%	0.887	80%	0.799	S	S	*	*			trans	-80.9	76.2	156.6	0	0	0	0	0	109
33	A	38.8	Very low	36.1	Very low	83 Å²	83	134 Å²	134	69%	0.686	79%	0.789	S	S	*	*			trans	175.5	74.1	163.2	0	0	0	0	0	110.2	L31	L31-A33 VanDerWaalsContact C-N 3.25Å; L31-A33 PolarHBondContact O-N 3.23Å
34	L	32.8	Very low	36.2	Very low	149 Å²	149	141 Å²	141	78%	0.78	80%	0.795	S	S	*	*			trans	-158.7	29.8	163.1	-110.3	138.5	0	0	0	113.4	L31	L31-L34 HydrophobicContact CD2-CD1 3.76Å
35	L	35.5	Very low	36.4	Very low	186 Å²	186	145.8 Å²	145.8	97%	0.974	80%	0.797	S	S	*	*			trans	-117.6	34.4	172	-86.8	168.1	0	0	0	112.2
36	A	41.1	Very low	36.4	Very low	83 Å²	83	145.4 Å²	145.4	69%	0.686	79%	0.789	S	S	*	*			trans	-129.4	127.1	172	0	0	0	0	0	109
37	L	37	Very low	36.7	Very low	169 Å²	169	148.9 Å²	148.9	89%	0.885	80%	0.802	S	S	*	*			trans	105.9	52.8	176.4	-62.1	146.3	0	0	0	116
38	I	37.9	Very low	37	Very low	156 Å²	156	146.4 Å²	146.4	80%	0.8	79%	0.793	S	S	*	*			trans	-89.9	114.4	138.5	-58.7	174.2	0	0	0	105.5	Q40	I38-Q40 PolarHBondContact O-N 3Å
39	P	34.1	Very low	37.5	Very low	103 Å²	103	142.6 Å²	142.6	67%	0.669	79%	0.786	S	S	*	*			trans	-69.7	105.9	172.4	27.6	-29.3	0	0	0	107.6	R41	P39-R41 PolarHBondContact O-N 2.83Å
40	Q	37.7	Very low	38.2	Very low	185 Å²	185	141.3 Å²	141.3	86%	0.864	78%	0.781	S	S	*	*			trans	-63.4	89.2	161.2	-70.8	-161	-8	0	0	107.8	I38 A42	I38-Q40 PolarHBondContact O-N 3Å; Q40-A42 PolarHBondContact O-N 2.94Å
41	R	36.2	Very low	39.3	Very low	232 Å²	232	142.5 Å²	142.5	88%	0.875	77%	0.769	S	S	*	*			trans	-70.8	86.4	161.6	-82.7	-175	175.1	179.1	-0.2	107	P39	P39-R41 PolarHBondContact O-N 2.83Å
42	A	35.6	Very low	40.5	Very low	79 Å²	79	144.3 Å²	144.3	65%	0.653	77%	0.77	S	S	*	*			trans	-57.6	127.2	157.3	0	0	0	0	0	107.4	Q40 R44	Q40-A42 PolarHBondContact O-N 2.94Å; A42-R44 PolarHBondContact O-N 3.08Å; A42-R44 VanDerWaalsContact O-N 3.08Å
43	P	38.2	Very low	42.3	Very low	98 Å²	98	141.5 Å²	141.5	64%	0.636	74%	0.736	S	S	*	*			trans	-60.7	119.7	175.9	23.1	-30.5	0	0	0	108.1	W45	P43-W45 PolarHBondContact O-N 2.97Å
44	R	34.8	Very low	44.7	Very low	243 Å²	243	141.5 Å²	141.5	92%	0.917	73%	0.731	S	S	*	*			trans	-65.4	101.7	168.3	-85.8	-178.9	173.5	-179.8	-2.2	106.9	A42 L46	A42-R44 PolarHBondContact O-N 3.08Å; A42-R44 VanDerWaalsContact O-N 3.08Å; R44-L46 VanDerWaalsContact C-N 3.29Å; R44-L46 PolarHBondContact O-N 2.89Å
45	W	40.6	Very low	47.8	Very low	227 Å²	227	138 Å²	138	86%	0.86	71%	0.713	S	S	*	*			trans	-64.2	92.2	168.3	-65.7	83.7	0	0	0	108.2	P43	P43-W45 PolarHBondContact O-N 2.97Å
46	L	41.1	Very low	50.8	Low	147 Å²	147	130.9 Å²	130.9	77%	0.77	68%	0.679	S	S	*	*			trans	-61.3	147.7	158.4	-73.4	161	0	0	0	107.3	R44 A48	R44-L46 VanDerWaalsContact C-N 3.29Å; R44-L46 PolarHBondContact O-N 2.89Å; L46-A48 VanDerWaalsContact C-N 3.34Å; L46-A48 PolarHBondContact O-N 2.74Å
47	P	36.8	Very low	53.5	Low	125 Å²	125	132 Å²	132	81%	0.812	67%	0.668	S	S	*	*			trans	-61.8	102.1	174.9	-3.7	16.1	0	0	0	107.2	C49	P47-C49 PolarHBondContact O-N 3.39Å
48	A	45.7	Very low	56.4	Low	76 Å²	76	124.8 Å²	124.8	63%	0.628	63%	0.63	S	S	*	*			trans	-60.2	111.1	174.7	0	0	0	0	0	106.2	L46 R50	L46-A48 VanDerWaalsContact C-N 3.34Å; L46-A48 PolarHBondContact O-N 2.74Å; A48-R50 PolarHBondContact O-N 2.96Å
49	C	45.2	Very low	59.2	Low	110 Å²	110	123.1 Å²	123.1	74%	0.743	62%	0.623	S	S	*	*			trans	-47.6	114.9	166.7	-166.7	0	0	0	0	105.6	P47 Q51	P47-C49 PolarHBondContact O-N 3.39Å; C49-Q51 PolarHBondContact O-N 3.1Å
50	R	47.5	Very low	62.2	Low	215 Å²	215	118.7 Å²	118.7	81%	0.811	59%	0.593	S	S	*	*			trans	-65.7	81.9	-177.6	-85	-174.5	177.3	-166.3	-0.8	107.5	A48 K52	A48-R50 PolarHBondContact O-N 2.96Å; R50-K52 VanDerWaalsContact C-N 3.33Å; R50-K52 PolarHBondContact O-N 3.04Å
51	Q	55.9	Low	64.8	Low	93 Å²	93	115 Å²	115	44%	0.435	59%	0.585	S	S	.	*			trans	-64.6	102.3	166.9	-73.2	-166.1	1.5	0	0	106	C49 L71 K72	C49-Q51 PolarHBondContact O-N 3.1Å; Q51-L71 HydrophobicContact CB-CD1 4.15Å; Q51-K72 PolarHBondContact OE1-O 2.94Å
52	K	58.9	Low	67.4	Low	186 Å²	186	112 Å²	112	81%	0.809	59%	0.587	S	S	*	*			trans	-80	116.4	167.1	-76.8	-176.8	177.1	-179.9	0	106.3	R50 S54	R50-K52 VanDerWaalsContact C-N 3.33Å; R50-K52 PolarHBondContact O-N 3.04Å; K52-S54 PolarHBondContact O-N 3.34Å
53	T	77.2	Confident	70.2	Confident	26 Å²	26	112 Å²	112	16%	0.16	58%	0.575	C	S	.	*			trans	-71.3	112.6	167	53.3	0	0	0	0	108.3	L71 E97	T53-L71 HydrophobicContact CG2-CB 3.86Å; T53-L71 HydrophobicContact CG2-CD1 4.12Å; T53-E97 PolarHBondContact OG1-OE2 3.39Å
54	S	89.9	Confident	73	Confident	83 Å²	83	109.4 Å²	109.4	58%	0.58	56%	0.558	S	S	*	*			trans	-81	155.1	171.9	50.2	0	0	0	0	110.8	K52	K52-S54 PolarHBondContact O-N 3.34Å
55	L	96.8	Very high	76	Confident	76 Å²	76	100 Å²	100	40%	0.398	53%	0.526	S	S	.	.			trans	-63.2	135.5	166.1	-172.8	66.1	0	0	0	109	F57 A67 M88	L55-F57 HydrophobicContact CD2-CE2 4.14Å; L55-F57 HydrophobicContact CD2-CZ 4.17Å; L55-F57 HydrophobicContact CG-CE2 4.19Å; L55-F57 HydrophobicContact CG-CZ 4.49Å; L55-A67 HydrophobicContact CD1-CB 4.1Å; L55-M88 HydrophobicContact CD1-CE 3.18Å
56	S	98	Very high	78.8	Confident	37 Å²	37	89.1 Å²	89.1	26%	0.259	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.8	177.6	-64.5	0	0	0	0	109.6	A67 Y68	S56-A67 CarbonylContact O-C 3.55Å; S56-A67 WeakPolarHBondContact O-CA 3.48Å; S56-Y68 PolarHBondContact N-O 2.83Å; S56-Y68 WeakPolarHBondContact O-CD1 3.36Å; S56-Y68 PolarHBondContact O-N 2.8Å
57	F	98.2	Very high	81.5	Confident	106 Å²	106	82.1 Å²	82.1	47%	0.465	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131	-176.4	-68.7	-95.4	0	0	0	110.1	L55 N65 L66 A67 S117	L55-F57 HydrophobicContact CD2-CE2 4.14Å; L55-F57 HydrophobicContact CD2-CZ 4.17Å; L55-F57 HydrophobicContact CG-CE2 4.19Å; L55-F57 HydrophobicContact CG-CZ 4.49Å; F57-N65 HydrophobicContact CD1-CB 4.41Å; F57-L66 CarbonylContact C-O 3.47Å; F57-L66 WeakPolarHBondContact CA-O 3.48Å; F57-A67 HydrophobicContact CD1-CB 4.19Å; F57-A67 HydrophobicContact CE1-CB 3.9Å; F57-A67 HydrophobicContact CZ-CB 4.41Å; F57-S117 VanDerWaalsContact CE1-O 3.24Å; F57-S117 WeakPolarHBondContact CE1-O 3.46Å
58	L	98.3	Very high	84.5	Confident	17 Å²	17	77.9 Å²	77.9	9%	0.089	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	112.8	169.5	174	63.1	0	0	0	107.6	R60 N65 L66 Y68 I137 D140 L141	L58-R60 HydrophobicContact CD2-CG 4.19Å; L58-R60 HydrophobicContact CG-CG 3.94Å; L58-N65 WeakPolarHBondContact O-CA 3.48Å; L58-L66 HydrophobicContact CB-CB 4.37Å; L58-L66 PolarHBondContact N-O 2.99Å; L58-L66 PolarHBondContact O-N 2.75Å; L58-L66 VanDerWaalsContact O-N 3.11Å; L58-Y68 HydrophobicContact CB-CD1 4.13Å; L58-Y68 HydrophobicContact CB-CE1 4Å; L58-I137 HydrophobicContact CD2-CD1 4.34Å; L58-D140 HydrophobicContact CD1-CB 3.72Å; L58-D140 HydrophobicContact CD2-CB 4.11Å; L58-L141 HydrophobicContact CB-CD1 4.23Å; L58-L141 HydrophobicContact CB-CD2 4.43Å; L58-L141 HydrophobicContact CD1-CD2 3.9Å; L58-L141 HydrophobicContact CD1-CG 4.2Å; L58-L141 HydrophobicContact CD2-CD1 4.22Å; L58-L141 HydrophobicContact CD2-CG 4.12Å
59	N	97.7	Very high	87	Confident	121 Å²	121	76.3 Å²	76.3	65%	0.647	40%	0.395	S	S	*	.			trans	-75.4	128.9	174.3	-173.4	-2.5	0	0	0	109.8	N65	N59-N65 WeakPolarHBondContact CA-OD1 3.49Å; N59-N65 PolarHBondContact OD1-OD1 2.92Å
60	R	96.5	Very high	89.5	Confident	10 Å²	10	74 Å²	74	4%	0.038	37%	0.373	C	S	.	.			trans	-131.2	105.5	179.9	-58.8	-172	-59.8	168.8	-2.8	108.8	L58 D62 L63 P64 L66 D133 S136	L58-R60 HydrophobicContact CD2-CG 4.19Å; L58-R60 HydrophobicContact CG-CG 3.94Å; R60-D62 PolarHBondContact O-N 3.2Å; R60-L63 HydrophobicContact CB-CB 3.84Å; R60-L63 CarbonylContact O-C 3.58Å; R60-L63 PolarHBondContact O-N 3.16Å; R60-P64 PolarHBondContact NE-O 2.86Å; R60-P64 PolarHBondContact NH2-O 2.78Å; R60-L66 VanDerWaalsContact CZ-CG 3.49Å; R60-L66 VanDerWaalsContact NH2-CD2 3.32Å; R60-D133 IonicContact CZ-OD1 2.69Å; R60-D133 IonicContact NH1-OD1 2.71Å; R60-D133 PolarHBondContact NH1-OD1 3.01Å; R60-D133 IonicContact NH2-OD1 2.71Å; R60-D133 PolarHBondContact NH2-OD1 2.94Å; R60-S136 WeakPolarHBondContact CD-OG 3.42Å; R60-S136 PolarHBondContact NH1-OG 3.22Å
61	P	91.6	Very high	91.9	Very high	107 Å²	107	64.1 Å²	64.1	70%	0.695	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	133.5	176.4	-26.4	34.9	0	0	0	110.9	L63	P61-L63 PolarHBondContact O-N 3.04Å; P61-L63 VanDerWaalsContact O-N 3.1Å
62	D	91	Very high	93.8	Very high	171 Å²	171	67.4 Å²	67.4	91%	0.914	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	9.4	179.7	-48	-48.1	0	0	0	116.2	R60	R60-D62 PolarHBondContact O-N 3.2Å
63	L	94.9	Very high	95.6	Very high	79 Å²	79	60.7 Å²	60.7	41%	0.414	33%	0.332	S	S	.	.	S	Bend	trans	-130.8	158.2	174.6	-66.7	175	0	0	0	110.7	R60 P61	R60-L63 HydrophobicContact CB-CB 3.84Å; R60-L63 CarbonylContact O-C 3.58Å; R60-L63 PolarHBondContact O-N 3.16Å; P61-L63 PolarHBondContact O-N 3.04Å; P61-L63 VanDerWaalsContact O-N 3.1Å
64	P	97	Very high	96.5	Very high	43 Å²	43	65 Å²	65	28%	0.279	35%	0.348	S	S	.	.			trans	-61.5	142.2	175	-21.8	33.4	0	0	0	111.7	R60 D119	R60-P64 PolarHBondContact NE-O 2.86Å; R60-P64 PolarHBondContact NH2-O 2.78Å; P64-D119 HydrophobicContact CB-CB 3.86Å; P64-D119 VanDerWaalsContact CB-O 3.24Å; P64-D119 WeakPolarHBondContact CB-O 3.36Å
65	N	98.2	Very high	96.7	Very high	44 Å²	44	64.1 Å²	64.1	24%	0.235	34%	0.342	C	S	.	.			trans	-66.5	145.1	173.9	-57	-43.4	0	0	0	110.6	F57 L58 N59 D119	F57-N65 HydrophobicContact CD1-CB 4.41Å; L58-N65 WeakPolarHBondContact O-CA 3.48Å; N59-N65 WeakPolarHBondContact CA-OD1 3.49Å; N59-N65 PolarHBondContact OD1-OD1 2.92Å; N65-D119 VanDerWaalsContact CB-OD2 3.24Å; N65-D119 WeakPolarHBondContact CB-OD2 3.46Å; N65-D119 PolarHBondContact ND2-OD2 2.91Å; N65-D119 PolarHBondContact O-N 2.64Å
66	L	98.6	Very high	96.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.7	177.5	-60.9	-179.7	0	0	0	111.1	F57 L58 R60 S118 D133 I137	F57-L66 CarbonylContact C-O 3.47Å; F57-L66 WeakPolarHBondContact CA-O 3.48Å; L58-L66 HydrophobicContact CB-CB 4.37Å; L58-L66 PolarHBondContact N-O 2.99Å; L58-L66 PolarHBondContact O-N 2.75Å; L58-L66 VanDerWaalsContact O-N 3.11Å; R60-L66 VanDerWaalsContact CZ-CG 3.49Å; R60-L66 VanDerWaalsContact NH2-CD2 3.32Å; L66-S118 WeakPolarHBondContact CA-OG 3.29Å; L66-D133 HydrophobicContact CD1-CB 3.69Å; L66-D133 HydrophobicContact CD2-CB 4.23Å; L66-I137 HydrophobicContact CB-CD1 4.31Å; L66-I137 HydrophobicContact CD1-CD1 3.96Å; L66-I137 HydrophobicContact CD1-CG1 4.06Å
67	A	98.6	Very high	96.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133	168.4	0	0	0	0	0	110.4	L55 S56 F57 M88 F110 D111 S117 S118	L55-A67 HydrophobicContact CD1-CB 4.1Å; S56-A67 CarbonylContact O-C 3.55Å; S56-A67 WeakPolarHBondContact O-CA 3.48Å; F57-A67 HydrophobicContact CD1-CB 4.19Å; F57-A67 HydrophobicContact CE1-CB 3.9Å; F57-A67 HydrophobicContact CZ-CB 4.41Å; A67-M88 HydrophobicContact CB-CE 4.28Å; A67-F110 CarbonylContact O-C 3.53Å; A67-F110 VanDerWaalsContact O-CA 3.27Å; A67-F110 WeakPolarHBondContact O-CA 3.37Å; A67-F110 WeakPolarHBondContact O-CB 3.28Å; A67-D111 PolarHBondContact O-N 2.95Å; A67-S117 VanDerWaalsContact CB-C 3.45Å; A67-S117 WeakPolarHBondContact CB-O 3.49Å; A67-S118 PolarHBondContact N-OG 2.83Å
68	Y	98.6	Very high	96.8	Very high	36 Å²	36	54.4 Å²	54.4	14%	0.141	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164.9	177.7	71.9	-89.8	0	0	0	112	S56 L58 K70 R109 L141	S56-Y68 PolarHBondContact N-O 2.83Å; S56-Y68 WeakPolarHBondContact O-CD1 3.36Å; S56-Y68 PolarHBondContact O-N 2.8Å; L58-Y68 HydrophobicContact CB-CD1 4.13Å; L58-Y68 HydrophobicContact CB-CE1 4Å; Y68-K70 HydrophobicContact CD2-CB 3.93Å; Y68-K70 HydrophobicContact CE2-CB 3.77Å; Y68-R109 CarbonylContact C-O 3.51Å; Y68-R109 VanDerWaalsContact CA-O 3.29Å; Y68-R109 WeakPolarHBondContact CA-O 3.49Å; Y68-R109 WeakPolarHBondContact CB-O 3.35Å; Y68-L141 HydrophobicContact CD1-CD1 3.45Å; Y68-L141 VanDerWaalsContact CD1-CD1 3.45Å; Y68-L141 HydrophobicContact CD1-CD2 4.5Å; Y68-L141 HydrophobicContact CD2-CD1 3.83Å; Y68-L141 HydrophobicContact CE1-CD1 3.59Å; Y68-L141 HydrophobicContact CE1-CD2 3.77Å; Y68-L141 HydrophobicContact CE1-CG 4.35Å; Y68-L141 HydrophobicContact CE2-CD1 3.98Å; Y68-L141 HydrophobicContact CE2-CD2 4.24Å; Y68-L141 HydrophobicContact CG-CD1 3.58Å
69	K	98.4	Very high	96.9	Very high	43 Å²	43	53.6 Å²	53.6	19%	0.187	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.9	162.6	-60.6	-151.7	-159.1	171.8	0	109.2	M88 I108 R109	K69-M88 HydrophobicContact CG-CE 4.38Å; K69-M88 HydrophobicContact CG-SD 4.07Å; K69-I108 WeakPolarHBondContact O-CA 3.44Å; K69-R109 HydrophobicContact CB-CG 4.06Å; K69-R109 PolarHBondContact N-O 3.03Å; K69-R109 PolarHBondContact O-N 3.42Å; K69-R109 VanDerWaalsContact O-N 3.08Å
70	K	97.6	Very high	96.9	Very high	62 Å²	62	48.3 Å²	48.3	27%	0.27	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.9	-179.7	179.8	172.6	178.6	179.8	0	109.8	Y68 C107 I108 L141 D143	Y68-K70 HydrophobicContact CD2-CB 3.93Å; Y68-K70 HydrophobicContact CE2-CB 3.77Å; K70-C107 CarbonylContact C-O 3.58Å; K70-C107 WeakPolarHBondContact CA-O 3.31Å; K70-I108 HydrophobicContact CB-CG1 4.3Å; K70-I108 HydrophobicContact CD-CD1 4.36Å; K70-I108 HydrophobicContact CD-CG1 4.35Å; K70-I108 HydrophobicContact CG-CG1 3.97Å; K70-L141 WeakPolarHBondContact CE-O 3.25Å; K70-L141 PolarHBondContact NZ-O 2.99Å; K70-D143 IonicContact NZ-OD2 3.17Å; K70-D143 PolarHBondContact NZ-OD2 2.99Å
71	L	97.4	Very high	97	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.1	166.2	179.6	67.7	0	0	0	108.5	Q51 T53 C100 K101 A106 C107	Q51-L71 HydrophobicContact CB-CD1 4.15Å; T53-L71 HydrophobicContact CG2-CB 3.86Å; T53-L71 HydrophobicContact CG2-CD1 4.12Å; L71-C100 HydrophobicContact CD2-CB 4.12Å; L71-K101 HydrophobicContact CD2-CB 3.73Å; L71-K101 HydrophobicContact CD2-CG 4.47Å; L71-A106 WeakPolarHBondContact O-CA 3.39Å; L71-C107 HydrophobicContact CB-CB 4.06Å; L71-C107 HydrophobicContact CD2-CB 4.25Å; L71-C107 PolarHBondContact N-O 2.84Å; L71-C107 PolarHBondContact O-N 3.12Å; L71-C107 VanDerWaalsContact O-N 3.1Å
72	K	96.6	Very high	97.3	Very high	163 Å²	163	42.8 Å²	42.8	71%	0.709	23%	0.226	S	C	*	.			trans	-79.5	141.8	173.9	-67.4	-176	179	-176.5	0	109.5	Q51	Q51-K72 PolarHBondContact OE1-O 2.94Å
73	G	96.3	Very high	97.6	Very high	44 Å²	44	34.9 Å²	34.9	45%	0.454	18%	0.184	S	C	.	.			trans	-179.1	-170.8	178.2	0	0	0	0	0	111.5	G104	G73-G104 CarbonylContact C-O 3.52Å; G73-G104 VanDerWaalsContact CA-O 3.25Å; G73-G104 WeakPolarHBondContact CA-O 3.44Å
74	K	96.6	Very high	97.5	Very high	117 Å²	117	33.6 Å²	33.6	51%	0.509	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	163.7	178.4	72.4	-166	-176	-177.9	0	112.2	L103 G104 H105 A106	K74-L103 PolarHBondContact NZ-O 2.99Å; K74-G104 WeakPolarHBondContact CG-O 3.49Å; K74-G104 PolarHBondContact N-O 3.3Å; K74-H105 WeakPolarHBondContact CE-CD2 3.47Å; K74-H105 VanDerWaalsContact CE-CE1 3.44Å; K74-H105 WeakPolarHBondContact CE-CE1 3.38Å; K74-H105 WeakPolarHBondContact CE-NE2 3.32Å; K74-A106 PolarHBondContact O-N 3.41Å
75	S	94.9	Very high	96.8	Very high	64 Å²	64	35 Å²	35	45%	0.448	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	157.1	172.2	-58.8	0	0	0	0	111.8
76	P	97.8	Very high	96.4	Very high	15 Å²	15	35.5 Å²	35.5	10%	0.097	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-64.1	143.2	-7.3	28.3	-35.9	0	0	0	111.7	H105 P145 I147 V170 L301	P76-H105 PolarHBondContact O-ND1 3.35Å; P76-P145 CarbonylContact C-O 3.53Å; P76-P145 VanDerWaalsContact CA-O 3.23Å; P76-P145 WeakPolarHBondContact CA-O 3.26Å; P76-P145 HydrophobicContact CB-CB 4.25Å; P76-I147 HydrophobicContact CB-CD1 4.42Å; P76-I147 HydrophobicContact CB-CG1 4.16Å; P76-I147 HydrophobicContact CG-CD1 3.99Å; P76-I147 HydrophobicContact CG-CG1 4.27Å; P76-V170 HydrophobicContact CB-CG2 4.12Å; P76-L301 HydrophobicContact CG-CD1 4.46Å
77	G	98.4	Very high	95.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	159.1	171.9	0	0	0	0	0	110.9	A106 P145 Q146 I147	G77-A106 CarbonylContact C-O 3.57Å; G77-A106 WeakPolarHBondContact CA-O 3.36Å; G77-P145 PolarHBondContact N-O 3.3Å; G77-Q146 CarbonylContact O-C 3.59Å; G77-Q146 WeakPolarHBondContact O-CA 3.31Å; G77-I147 PolarHBondContact O-N 3.13Å
78	I	98.8	Very high	95.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.3	176.8	-63.6	73.5	0	0	0	108.7	I96 H105 A106 C107 I108 I147 V149 I294 I298	I78-I96 HydrophobicContact CG2-CG2 3.64Å; I78-H105 HydrophobicContact CD1-CB 3.76Å; I78-A106 PolarHBondContact N-O 2.87Å; I78-C107 CarbonylContact O-C 3.52Å; I78-C107 VanDerWaalsContact O-CA 3.24Å; I78-C107 WeakPolarHBondContact O-CA 3.29Å; I78-I108 PolarHBondContact O-N 3Å; I78-I147 WeakPolarHBondContact CA-O 3.43Å; I78-V149 HydrophobicContact CG2-CG2 3.82Å; I78-I294 HydrophobicContact CG1-CG2 4.23Å; I78-I298 HydrophobicContact CD1-CD1 4.32Å
79	I	98.9	Very high	95.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.8	172.4	-54.2	177.2	0	0	0	108.7	I81 I108 F110 I137 I138 A142 Q146 I147 L148 V149	I79-I81 HydrophobicContact CG2-CG1 4.26Å; I79-I108 WeakPolarHBondContact CA-O 3.32Å; I79-I108 HydrophobicContact CG1-CB 4.3Å; I79-I108 HydrophobicContact CG1-CD1 4.5Å; I79-F110 HydrophobicContact CG2-CE1 4.46Å; I79-I137 HydrophobicContact CG2-CG2 4.04Å; I79-I138 HydrophobicContact CD1-CG1 3.74Å; I79-A142 HydrophobicContact CD1-CB 3.78Å; I79-Q146 HydrophobicContact CD1-CB 4.17Å; I79-Q146 HydrophobicContact CD1-CG 3.88Å; I79-Q146 HydrophobicContact CG1-CB 4.48Å; I79-Q146 HydrophobicContact CG1-CG 4.45Å; I79-I147 PolarHBondContact N-O 3.03Å; I79-L148 HydrophobicContact CB-CD2 3.81Å; I79-L148 HydrophobicContact CD1-CD2 3.94Å; I79-L148 HydrophobicContact CG1-CD2 4.21Å; I79-V149 PolarHBondContact O-N 2.88Å
80	F	98.8	Very high	95.3	Very high	10 Å²	10	42.4 Å²	42.4	4%	0.044	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.1	172.3	-177.6	-103.6	0	0	0	110.6	P82 K92 A93 I96 I108 R109 V149	F80-P82 HydrophobicContact CD1-CG 4.16Å; F80-P82 HydrophobicContact CE1-CB 4.14Å; F80-P82 HydrophobicContact CE1-CG 4Å; F80-K92 HydrophobicContact CE2-CB 4.08Å; F80-K92 HydrophobicContact CZ-CB 4.09Å; F80-A93 HydrophobicContact CD1-CB 3.46Å; F80-A93 VanDerWaalsContact CD1-CB 3.46Å; F80-A93 HydrophobicContact CE1-CB 3.64Å; F80-A93 HydrophobicContact CG-CB 4.12Å; F80-A93 HydrophobicContact CZ-CB 4.42Å; F80-I96 HydrophobicContact CB-CD1 4.31Å; F80-I96 HydrophobicContact CD2-CD1 3.33Å; F80-I96 HydrophobicContact CE2-CD1 3.92Å; F80-I96 HydrophobicContact CG-CD1 4.08Å; F80-I108 PolarHBondContact N-O 2.86Å; F80-R109 HydrophobicContact CB-CB 4.44Å; F80-V149 WeakPolarHBondContact CA-O 3.32Å; F80-V149 HydrophobicContact CD2-CB 4.24Å; F80-V149 HydrophobicContact CD2-CG1 4.06Å; F80-V149 WeakPolarHBondContact CD2-O 3.27Å; F80-V149 HydrophobicContact CE2-CG1 4.44Å
81	I	98.8	Very high	95.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	107.8	-179.4	-55.7	171.7	0	0	0	107.7	I79 F110 Y112 V134 L148 V149 S151 G154 L157 M158	I79-I81 HydrophobicContact CG2-CG1 4.26Å; I81-F110 HydrophobicContact CG1-CE1 4.32Å; I81-Y112 WeakPolarHBondContact CG2-OH 3.46Å; I81-V134 HydrophobicContact CD1-CG1 3.78Å; I81-V134 HydrophobicContact CD1-CG2 4.47Å; I81-V134 HydrophobicContact CG1-CG1 4.46Å; I81-V134 HydrophobicContact CG2-CG2 3.84Å; I81-L148 HydrophobicContact CD1-CB 4.1Å; I81-L148 HydrophobicContact CD1-CD1 4.13Å; I81-L148 HydrophobicContact CD1-CD2 4.46Å; I81-L148 HydrophobicContact CD1-CG 4.47Å; I81-V149 PolarHBondContact N-O 3.49Å; I81-S151 PolarHBondContact O-N 2.78Å; I81-G154 VanDerWaalsContact CG2-CA 3.46Å; I81-L157 HydrophobicContact CG2-CB 4.35Å; I81-M158 HydrophobicContact CD1-CB 3.8Å
82	P	97.9	Very high	95.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	24%	0.24	C	C	.	.			trans	-65.1	170.1	-173.5	-21.6	33	0	0	0	115.1	F80 S86 Y112 S151 G154	F80-P82 HydrophobicContact CD1-CG 4.16Å; F80-P82 HydrophobicContact CE1-CB 4.14Å; F80-P82 HydrophobicContact CE1-CG 4Å; P82-S86 WeakPolarHBondContact CB-O 3.4Å; P82-Y112 HydrophobicContact CB-CE2 4.07Å; P82-Y112 HydrophobicContact CG-CE2 4.4Å; P82-Y112 PolarHBondContact O-OH 3.17Å; P82-S151 CarbonylContact C-O 3.54Å; P82-G154 WeakPolarHBondContact O-CA 3.47Å; P82-G154 PolarHBondContact O-N 3.16Å; P82-G154 VanDerWaalsContact O-N 3.12Å
83	G	95.9	Very high	95.3	Very high	4 Å²	4	36.5 Å²	36.5	4%	0.041	21%	0.207	C	C	.	.			trans	-79.8	-178.6	170.7	0	0	0	0	0	113.4	L85 S86 S151	G83-L85 PolarHBondContact O-N 3.31Å; G83-S86 WeakPolarHBondContact O-CB 3.47Å; G83-S86 PolarHBondContact O-N 2.98Å; G83-S86 VanDerWaalsContact O-N 3.08Å; G83-S151 WeakPolarHBondContact CA-O 3.37Å; G83-S151 PolarHBondContact N-O 3.18Å
84	Y	92.4	Very high	95.4	Very high	52 Å²	52	37.9 Å²	37.9	20%	0.204	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	125	176.8	-175.9	-105	0	0	0	111	S86 W130 L153 N216 V217 F221	Y84-S86 PolarHBondContact O-N 2.83Å; Y84-S86 PolarHBondContact O-OG 2.7Å; Y84-W130 AromaticContact CD2-CH2 3.79Å; Y84-W130 HydrophobicContact CD2-CH2 3.79Å; Y84-W130 AromaticContact CD2-CZ3 3.6Å; Y84-W130 HydrophobicContact CD2-CZ3 3.6Å; Y84-W130 AromaticContact CE2-CH2 3.7Å; Y84-W130 HydrophobicContact CE2-CH2 3.7Å; Y84-W130 AromaticContact CE2-CZ3 3.82Å; Y84-W130 HydrophobicContact CE2-CZ3 3.82Å; Y84-L153 HydrophobicContact CD2-CD2 4.1Å; Y84-N216 PolarHBondContact OH-O 3.16Å; Y84-V217 HydrophobicContact CE1-CG2 4.2Å; Y84-F221 HydrophobicContact CD2-CZ 4.45Å; Y84-F221 HydrophobicContact CE2-CE2 4.23Å; Y84-F221 HydrophobicContact CE2-CZ 4.18Å
85	L	83.1	Confident	95.5	Very high	73 Å²	73	33.4 Å²	33.4	38%	0.382	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	19.6	-177.6	-58.7	178.1	0	0	0	114.9	G83 V115 W130	G83-L85 PolarHBondContact O-N 3.31Å; L85-V115 HydrophobicContact CD2-CG2 4.02Å; L85-W130 HydrophobicContact CD2-CH2 4.05Å; L85-W130 HydrophobicContact CD2-CZ2 4.22Å
86	S	89.1	Confident	95.6	Very high	55 Å²	55	30.4 Å²	30.4	39%	0.385	17%	0.167	S	C	.	.			trans	-88.4	145.6	173.5	-60.4	0	0	0	0	109.6	P82 G83 Y84	P82-S86 WeakPolarHBondContact CB-O 3.4Å; G83-S86 WeakPolarHBondContact O-CB 3.47Å; G83-S86 PolarHBondContact O-N 2.98Å; G83-S86 VanDerWaalsContact O-N 3.08Å; Y84-S86 PolarHBondContact O-N 2.83Å; Y84-S86 PolarHBondContact O-OG 2.7Å
87	Y	90	Very high	95.7	Very high	129 Å²	129	30.9 Å²	30.9	51%	0.506	17%	0.168	S	C	.	.			trans	-108.6	164.2	179	51.3	-90.8	0	0	0	111.7	N89 G90 D111	Y87-N89 HydrophobicContact CD2-CB 3.81Å; Y87-N89 HydrophobicContact CE2-CB 3.89Å; Y87-N89 PolarHBondContact O-N 3.31Å; Y87-G90 PolarHBondContact O-N 3.31Å; Y87-D111 WeakPolarHBondContact CA-OD1 3.42Å; Y87-D111 WeakPolarHBondContact CB-OD1 3.46Å
88	M	94.5	Very high	95.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-3.1	-172.3	65.9	174.5	165.3	0	0	115.3	L55 A67 K69 A93 R109 D111	L55-M88 HydrophobicContact CD1-CE 3.18Å; A67-M88 HydrophobicContact CB-CE 4.28Å; K69-M88 HydrophobicContact CG-CE 4.38Å; K69-M88 HydrophobicContact CG-SD 4.07Å; M88-A93 VanDerWaalsContact O-CB 3.3Å; M88-A93 WeakPolarHBondContact O-CB 3.3Å; M88-R109 HydrophobicContact CB-CB 4.07Å; M88-R109 HydrophobicContact CB-CG 4.1Å; M88-R109 WeakPolarHBondContact O-CD 3.32Å; M88-R109 PolarHBondContact O-NH1 2.93Å; M88-R109 HydrophobicContact SD-CG 4.49Å; M88-D111 WeakPolarHBondContact CE-OD2 3.38Å; M88-D111 WeakPolarHBondContact CG-OD1 3.4Å; M88-D111 PolarHBondContact N-OD1 2.92Å
89	N	94.3	Very high	95.6	Very high	64 Å²	64	37.6 Å²	37.6	34%	0.342	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	11.4	178.1	-58.7	-54.4	0	0	0	113	Y87 L94 R109	Y87-N89 HydrophobicContact CD2-CB 3.81Å; Y87-N89 HydrophobicContact CE2-CB 3.89Å; Y87-N89 PolarHBondContact O-N 3.31Å; N89-L94 WeakPolarHBondContact O-CD1 3.45Å; N89-R109 PolarHBondContact OD1-NH1 2.97Å
90	G	93.6	Very high	95.6	Very high	30 Å²	30	37.6 Å²	37.6	31%	0.309	20%	0.199	S	C	.	.	S	Bend	trans	-64.6	157	174.6	0	0	0	0	0	113.5	Y87 K92 A93 L94	Y87-G90 PolarHBondContact O-N 3.31Å; G90-K92 VanDerWaalsContact C-N 3.29Å; G90-K92 PolarHBondContact O-N 3.09Å; G90-A93 WeakPolarHBondContact O-CB 3.46Å; G90-A93 PolarHBondContact O-N 2.67Å; G90-L94 PolarHBondContact O-N 3.13Å
91	T	96.4	Very high	95.5	Very high	79 Å²	79	40.5 Å²	40.5	49%	0.485	21%	0.212	S	C	.	.	H	α-helix	trans	-50.6	-44.5	-176.2	-50.6	0	0	0	0	113.4	A95 I287	T91-A95 WeakPolarHBondContact O-CB 3.33Å; T91-A95 PolarHBondContact O-N 3.36Å; T91-I287 HydrophobicContact CG2-CD1 4.19Å; T91-I287 HydrophobicContact CG2-CG1 4.36Å
92	K	97.9	Very high	95.4	Very high	27 Å²	27	44.1 Å²	44.1	12%	0.117	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-46.6	178.8	-63.8	-168.3	-67.4	-81.7	0	112	F80 G90 L94 A95 I96 S151 V175 Q280 I287 L290	F80-K92 HydrophobicContact CE2-CB 4.08Å; F80-K92 HydrophobicContact CZ-CB 4.09Å; G90-K92 VanDerWaalsContact C-N 3.29Å; G90-K92 PolarHBondContact O-N 3.09Å; K92-L94 VanDerWaalsContact C-N 3.34Å; K92-L94 PolarHBondContact O-N 2.95Å; K92-A95 PolarHBondContact O-N 2.78Å; K92-I96 WeakPolarHBondContact O-CD1 3.48Å; K92-I96 VanDerWaalsContact O-CG1 3.24Å; K92-I96 WeakPolarHBondContact O-CG1 3.01Å; K92-I96 PolarHBondContact O-N 3.12Å; K92-S151 WeakPolarHBondContact CE-OG 3.4Å; K92-S151 PolarHBondContact NZ-OG 3.29Å; K92-V175 HydrophobicContact CD-CG1 4.19Å; K92-Q280 PolarHBondContact NZ-O 3.46Å; K92-I287 HydrophobicContact CB-CD1 4.41Å; K92-I287 HydrophobicContact CG-CD1 3.7Å; K92-L290 HydrophobicContact CB-CD2 4.27Å; K92-L290 HydrophobicContact CD-CD2 4.24Å; K92-L290 HydrophobicContact CG-CD2 4.36Å
93	A	97.7	Very high	95.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-59.7	-44.7	179.6	0	0	0	0	0	111.7	F80 M88 G90 I96 E97	F80-A93 HydrophobicContact CD1-CB 3.46Å; F80-A93 VanDerWaalsContact CD1-CB 3.46Å; F80-A93 HydrophobicContact CE1-CB 3.64Å; F80-A93 HydrophobicContact CG-CB 4.12Å; F80-A93 HydrophobicContact CZ-CB 4.42Å; M88-A93 VanDerWaalsContact O-CB 3.3Å; M88-A93 WeakPolarHBondContact O-CB 3.3Å; G90-A93 WeakPolarHBondContact O-CB 3.46Å; G90-A93 PolarHBondContact O-N 2.67Å; A93-I96 PolarHBondContact O-N 3.47Å; A93-E97 PolarHBondContact O-N 3.43Å
94	L	97.6	Very high	95.4	Very high	72 Å²	72	48.7 Å²	48.7	38%	0.377	27%	0.269	S	S	.	.	H	α-helix	trans	-68.8	-38.3	179	-63.5	-179.8	0	0	0	112.4	N89 G90 K92 E97 E98	N89-L94 WeakPolarHBondContact O-CD1 3.45Å; G90-L94 PolarHBondContact O-N 3.13Å; K92-L94 VanDerWaalsContact C-N 3.34Å; K92-L94 PolarHBondContact O-N 2.95Å; L94-E97 PolarHBondContact O-N 3.3Å; L94-E98 PolarHBondContact O-N 3.47Å
95	A	98.3	Very high	95.6	Very high	24 Å²	24	46.4 Å²	46.4	20%	0.198	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-40.2	175.9	0	0	0	0	0	112.1	T91 K92 E98 F99 I287	T91-A95 WeakPolarHBondContact O-CB 3.33Å; T91-A95 PolarHBondContact O-N 3.36Å; K92-A95 PolarHBondContact O-N 2.78Å; A95-E98 PolarHBondContact O-N 2.77Å; A95-F99 VanDerWaalsContact O-CB 3.31Å; A95-F99 WeakPolarHBondContact O-CB 2.87Å; A95-F99 PolarHBondContact O-N 2.96Å; A95-I287 HydrophobicContact CB-CG2 3.4Å; A95-I287 VanDerWaalsContact CB-CG2 3.4Å
96	I	98.4	Very high	96.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-45.2	175	-67	163.2	0	0	0	110.7	I78 F80 K92 A93 E98 F99 C100 V149 L290 I294	I78-I96 HydrophobicContact CG2-CG2 3.64Å; F80-I96 HydrophobicContact CB-CD1 4.31Å; F80-I96 HydrophobicContact CD2-CD1 3.33Å; F80-I96 HydrophobicContact CE2-CD1 3.92Å; F80-I96 HydrophobicContact CG-CD1 4.08Å; K92-I96 WeakPolarHBondContact O-CD1 3.48Å; K92-I96 VanDerWaalsContact O-CG1 3.24Å; K92-I96 WeakPolarHBondContact O-CG1 3.01Å; K92-I96 PolarHBondContact O-N 3.12Å; A93-I96 PolarHBondContact O-N 3.47Å; I96-E98 PolarHBondContact O-N 3.25Å; I96-F99 PolarHBondContact O-N 3.06Å; I96-C100 WeakPolarHBondContact O-CB 3.45Å; I96-C100 PolarHBondContact O-N 3.48Å; I96-C100 PolarHBondContact O-SG 3.43Å; I96-V149 HydrophobicContact CD1-CB 4.21Å; I96-V149 HydrophobicContact CD1-CG1 3.76Å; I96-L290 HydrophobicContact CD1-CD2 4.06Å; I96-L290 HydrophobicContact CG1-CD2 4.23Å; I96-I294 HydrophobicContact CD1-CD1 4.47Å; I96-I294 HydrophobicContact CG1-CD1 3.87Å; I96-I294 HydrophobicContact CG2-CD1 4.32Å
97	E	98.3	Very high	96.8	Very high	25 Å²	25	41.2 Å²	41.2	12%	0.117	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-46.9	177.2	175.8	172.2	87.7	0	0	111.6	T53 A93 L94 F99 C100 K101 R109	T53-E97 PolarHBondContact OG1-OE2 3.39Å; A93-E97 PolarHBondContact O-N 3.43Å; L94-E97 PolarHBondContact O-N 3.3Å; E97-F99 VanDerWaalsContact C-N 3.34Å; E97-F99 PolarHBondContact O-N 2.92Å; E97-C100 PolarHBondContact O-N 3.11Å; E97-K101 VanDerWaalsContact O-CB 3.31Å; E97-K101 WeakPolarHBondContact O-CB 3.33Å; E97-K101 PolarHBondContact O-N 2.89Å; E97-R109 VanDerWaalsContact CD-NE 3.32Å; E97-R109 IonicContact OE1-CZ 2.67Å; E97-R109 IonicContact OE1-NE 2.75Å; E97-R109 PolarHBondContact OE1-NE 3.47Å; E97-R109 IonicContact OE1-NH2 3.77Å; E97-R109 PolarHBondContact OE1-NH2 3.24Å; E97-R109 IonicContact OE2-CZ 2.75Å; E97-R109 IonicContact OE2-NE 3.67Å; E97-R109 PolarHBondContact OE2-NE 3.42Å; E97-R109 IonicContact OE2-NH2 3.69Å; E97-R109 PolarHBondContact OE2-NH2 3.02Å
98	E	98.1	Very high	97.2	Very high	112 Å²	112	35.3 Å²	35.3	52%	0.523	21%	0.208	S	C	.	.	H	α-helix	trans	-66.6	-36.8	179.3	-172	59.8	-158.9	0	0	112	L94 A95 I96 K101 S102	L94-E98 PolarHBondContact O-N 3.47Å; A95-E98 PolarHBondContact O-N 2.77Å; I96-E98 PolarHBondContact O-N 3.25Å; E98-K101 WeakPolarHBondContact O-CB 3.3Å; E98-K101 PolarHBondContact O-N 2.97Å; E98-K101 IonicContact OE2-NZ 2.7Å; E98-S102 PolarHBondContact O-N 3.05Å
99	F	98.3	Very high	97.4	Very high	30 Å²	30	35.5 Å²	35.5	13%	0.132	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-46.4	173.5	177.4	-105.7	0	0	0	112.4	A95 I96 E97 K101 S102 L103 V291 I294 D295	A95-F99 VanDerWaalsContact O-CB 3.31Å; A95-F99 WeakPolarHBondContact O-CB 2.87Å; A95-F99 PolarHBondContact O-N 2.96Å; I96-F99 PolarHBondContact O-N 3.06Å; E97-F99 VanDerWaalsContact C-N 3.34Å; E97-F99 PolarHBondContact O-N 2.92Å; F99-K101 PolarHBondContact O-N 3.2Å; F99-S102 PolarHBondContact O-N 3.41Å; F99-S102 VanDerWaalsContact O-N 3.12Å; F99-S102 PolarHBondContact O-OG 2.8Å; F99-L103 HydrophobicContact CD1-CD1 4.46Å; F99-L103 HydrophobicContact CE1-CD1 3.64Å; F99-L103 HydrophobicContact CE2-CD1 3.75Å; F99-L103 HydrophobicContact CE2-CG 4.19Å; F99-L103 HydrophobicContact CZ-CD1 3.22Å; F99-L103 HydrophobicContact CZ-CG 4.12Å; F99-L103 PolarHBondContact O-N 2.96Å; F99-L103 VanDerWaalsContact O-N 3.15Å; F99-V291 HydrophobicContact CB-CB 4.39Å; F99-V291 HydrophobicContact CB-CG1 3.58Å; F99-V291 HydrophobicContact CD1-CB 4.28Å; F99-V291 HydrophobicContact CD1-CG1 4.08Å; F99-V291 HydrophobicContact CD2-CB 3.84Å; F99-V291 HydrophobicContact CD2-CG1 3.97Å; F99-V291 HydrophobicContact CE2-CB 4.16Å; F99-V291 HydrophobicContact CG-CB 3.9Å; F99-V291 HydrophobicContact CG-CG1 3.6Å; F99-I294 HydrophobicContact CD1-CB 4.46Å; F99-I294 HydrophobicContact CD1-CG2 4.18Å; F99-I294 HydrophobicContact CE1-CB 3.96Å; F99-I294 HydrophobicContact CE1-CG2 3.7Å; F99-D295 HydrophobicContact CE2-CB 4.5Å; F99-D295 HydrophobicContact CZ-CB 3.7Å
100	C	98	Very high	97.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-37.5	176.5	-66.3	0	0	0	0	111.3	L71 I96 E97 L103 G104 H105 C107	L71-C100 HydrophobicContact CD2-CB 4.12Å; I96-C100 WeakPolarHBondContact O-CB 3.45Å; I96-C100 PolarHBondContact O-N 3.48Å; I96-C100 PolarHBondContact O-SG 3.43Å; E97-C100 PolarHBondContact O-N 3.11Å; C100-L103 PolarHBondContact O-N 3.15Å; C100-G104 CarbonylContact O-C 3.59Å; C100-G104 WeakPolarHBondContact O-CA 3.27Å; C100-G104 PolarHBondContact O-N 3.39Å; C100-H105 HydrophobicContact CB-CB 4.35Å; C100-H105 PolarHBondContact O-N 2.94Å; C100-C107 HydrophobicContact CB-CB 3.67Å
101	K	97.4	Very high	97.9	Very high	71 Å²	71	31 Å²	31	31%	0.309	18%	0.178	S	C	.	.	H	α-helix	trans	-64.6	-37.6	175.2	-174.5	-179.4	173.2	-168.4	0	113.1	L71 E97 E98 F99	L71-K101 HydrophobicContact CD2-CB 3.73Å; L71-K101 HydrophobicContact CD2-CG 4.47Å; E97-K101 VanDerWaalsContact O-CB 3.31Å; E97-K101 WeakPolarHBondContact O-CB 3.33Å; E97-K101 PolarHBondContact O-N 2.89Å; E98-K101 WeakPolarHBondContact O-CB 3.3Å; E98-K101 PolarHBondContact O-N 2.97Å; E98-K101 IonicContact OE2-NZ 2.7Å; F99-K101 PolarHBondContact O-N 3.2Å
102	S	97.3	Very high	97.9	Very high	76 Å²	76	27.3 Å²	27.3	53%	0.531	16%	0.155	S	C	.	.	H	α-helix	trans	-70.3	-32.7	177.9	77.2	0	0	0	0	112.5	E98 F99	E98-S102 PolarHBondContact O-N 3.05Å; F99-S102 PolarHBondContact O-N 3.41Å; F99-S102 VanDerWaalsContact O-N 3.12Å; F99-S102 PolarHBondContact O-OG 2.8Å
103	L	95.5	Very high	97.9	Very high	63 Å²	63	26.3 Å²	26.3	33%	0.33	15%	0.151	S	C	.	.	H	α-helix	trans	-91.9	-8.8	177	-63.9	-173.9	0	0	0	114.8	K74 F99 C100 D295	K74-L103 PolarHBondContact NZ-O 2.99Å; F99-L103 HydrophobicContact CD1-CD1 4.46Å; F99-L103 HydrophobicContact CE1-CD1 3.64Å; F99-L103 HydrophobicContact CE2-CD1 3.75Å; F99-L103 HydrophobicContact CE2-CG 4.19Å; F99-L103 HydrophobicContact CZ-CD1 3.22Å; F99-L103 HydrophobicContact CZ-CG 4.12Å; F99-L103 PolarHBondContact O-N 2.96Å; F99-L103 VanDerWaalsContact O-N 3.15Å; C100-L103 PolarHBondContact O-N 3.15Å; L103-D295 WeakPolarHBondContact CD1-OD1 3.35Å
104	G	96.9	Very high	97.8	Very high	37 Å²	37	27 Å²	27	38%	0.381	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	23.2	-178.4	0	0	0	0	0	114.8	G73 K74 C100	G73-G104 CarbonylContact C-O 3.52Å; G73-G104 VanDerWaalsContact CA-O 3.25Å; G73-G104 WeakPolarHBondContact CA-O 3.44Å; K74-G104 WeakPolarHBondContact CG-O 3.49Å; K74-G104 PolarHBondContact N-O 3.3Å; C100-G104 CarbonylContact O-C 3.59Å; C100-G104 WeakPolarHBondContact O-CA 3.27Å; C100-G104 PolarHBondContact O-N 3.39Å
105	H	97.9	Very high	97.7	Very high	5 Å²	5	24 Å²	24	2%	0.023	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	148.6	174.3	-79.7	-96.5	0	0	0	112.1	K74 P76 I78 C100	K74-H105 WeakPolarHBondContact CE-CD2 3.47Å; K74-H105 VanDerWaalsContact CE-CE1 3.44Å; K74-H105 WeakPolarHBondContact CE-CE1 3.38Å; K74-H105 WeakPolarHBondContact CE-NE2 3.32Å; P76-H105 PolarHBondContact O-ND1 3.35Å; I78-H105 HydrophobicContact CD1-CB 3.76Å; C100-H105 HydrophobicContact CB-CB 4.35Å; C100-H105 PolarHBondContact O-N 2.94Å
106	A	98.3	Very high	97.5	Very high	18 Å²	18	25.6 Å²	25.6	15%	0.149	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	143.1	171.4	0	0	0	0	0	110.3	L71 K74 G77 I78	L71-A106 WeakPolarHBondContact O-CA 3.39Å; K74-A106 PolarHBondContact O-N 3.41Å; G77-A106 CarbonylContact C-O 3.57Å; G77-A106 WeakPolarHBondContact CA-O 3.36Å; I78-A106 PolarHBondContact N-O 2.87Å
107	C	98.5	Very high	97.5	Very high	1 Å²	1	28 Å²	28	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.5	177.6	-176.2	0	0	0	0	110.5	K70 L71 I78 C100	K70-C107 CarbonylContact C-O 3.58Å; K70-C107 WeakPolarHBondContact CA-O 3.31Å; L71-C107 HydrophobicContact CB-CB 4.06Å; L71-C107 HydrophobicContact CD2-CB 4.25Å; L71-C107 PolarHBondContact N-O 2.84Å; L71-C107 PolarHBondContact O-N 3.12Å; L71-C107 VanDerWaalsContact O-N 3.1Å; I78-C107 CarbonylContact O-C 3.52Å; I78-C107 VanDerWaalsContact O-CA 3.24Å; I78-C107 WeakPolarHBondContact O-CA 3.29Å; C100-C107 HydrophobicContact CB-CB 3.67Å
108	I	98.7	Very high	97.5	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.8	173.1	-57.7	170.7	0	0	0	108.9	K69 K70 I78 I79 F80 I137 L141 A142	K69-I108 WeakPolarHBondContact O-CA 3.44Å; K70-I108 HydrophobicContact CB-CG1 4.3Å; K70-I108 HydrophobicContact CD-CD1 4.36Å; K70-I108 HydrophobicContact CD-CG1 4.35Å; K70-I108 HydrophobicContact CG-CG1 3.97Å; I78-I108 PolarHBondContact O-N 3Å; I79-I108 WeakPolarHBondContact CA-O 3.32Å; I79-I108 HydrophobicContact CG1-CB 4.3Å; I79-I108 HydrophobicContact CG1-CD1 4.5Å; F80-I108 PolarHBondContact N-O 2.86Å; I108-I137 HydrophobicContact CG2-CG2 3.75Å; I108-L141 HydrophobicContact CD1-CB 4.08Å; I108-A142 HydrophobicContact CD1-CB 3.94Å
109	R	98.4	Very high	97.4	Very high	5 Å²	5	25.5 Å²	25.5	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.3	166.9	60.8	-170.1	178.6	101.8	-19	108.2	Y68 K69 F80 M88 N89 E97	Y68-R109 CarbonylContact C-O 3.51Å; Y68-R109 VanDerWaalsContact CA-O 3.29Å; Y68-R109 WeakPolarHBondContact CA-O 3.49Å; Y68-R109 WeakPolarHBondContact CB-O 3.35Å; K69-R109 HydrophobicContact CB-CG 4.06Å; K69-R109 PolarHBondContact N-O 3.03Å; K69-R109 PolarHBondContact O-N 3.42Å; K69-R109 VanDerWaalsContact O-N 3.08Å; F80-R109 HydrophobicContact CB-CB 4.44Å; M88-R109 HydrophobicContact CB-CB 4.07Å; M88-R109 HydrophobicContact CB-CG 4.1Å; M88-R109 WeakPolarHBondContact O-CD 3.32Å; M88-R109 PolarHBondContact O-NH1 2.93Å; M88-R109 HydrophobicContact SD-CG 4.49Å; N89-R109 PolarHBondContact OD1-NH1 2.97Å; E97-R109 VanDerWaalsContact CD-NE 3.32Å; E97-R109 IonicContact OE1-CZ 2.67Å; E97-R109 IonicContact OE1-NE 2.75Å; E97-R109 PolarHBondContact OE1-NE 3.47Å; E97-R109 IonicContact OE1-NH2 3.77Å; E97-R109 PolarHBondContact OE1-NH2 3.24Å; E97-R109 IonicContact OE2-CZ 2.75Å; E97-R109 IonicContact OE2-NE 3.67Å; E97-R109 PolarHBondContact OE2-NE 3.42Å; E97-R109 IonicContact OE2-NH2 3.69Å; E97-R109 PolarHBondContact OE2-NH2 3.02Å
110	F	98.7	Very high	97.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	160.7	-171.9	74.4	-77.7	0	0	0	111	A67 I79 I81 Y112 D133 V134 I137	A67-F110 CarbonylContact O-C 3.53Å; A67-F110 VanDerWaalsContact O-CA 3.27Å; A67-F110 WeakPolarHBondContact O-CA 3.37Å; A67-F110 WeakPolarHBondContact O-CB 3.28Å; I79-F110 HydrophobicContact CG2-CE1 4.46Å; I81-F110 HydrophobicContact CG1-CE1 4.32Å; F110-Y112 AromaticContact CE2-CD1 3.78Å; F110-Y112 HydrophobicContact CE2-CD1 3.78Å; F110-Y112 AromaticContact CE2-CE1 3.9Å; F110-Y112 HydrophobicContact CE2-CE1 3.9Å; F110-Y112 HydrophobicContact CZ-CD1 4.21Å; F110-Y112 AromaticContact CZ-CE1 3.84Å; F110-Y112 HydrophobicContact CZ-CE1 3.84Å; F110-D133 HydrophobicContact CE2-CB 4.33Å; F110-V134 HydrophobicContact CZ-CG2 3.81Å; F110-I137 HydrophobicContact CB-CD1 3.67Å; F110-I137 HydrophobicContact CB-CG1 4.14Å; F110-I137 HydrophobicContact CD1-CB 4.42Å; F110-I137 HydrophobicContact CD1-CD1 4.31Å; F110-I137 HydrophobicContact CD1-CG1 3.84Å; F110-I137 HydrophobicContact CD1-CG2 4.09Å; F110-I137 HydrophobicContact CD2-CD1 3.91Å; F110-I137 HydrophobicContact CD2-CG1 3.62Å; F110-I137 HydrophobicContact CE1-CG1 4.16Å; F110-I137 HydrophobicContact CE1-CG2 4.48Å; F110-I137 HydrophobicContact CE2-CG1 3.95Å; F110-I137 HydrophobicContact CG-CD1 3.7Å; F110-I137 HydrophobicContact CG-CG1 3.58Å; F110-I137 HydrophobicContact CZ-CG1 4.22Å
111	D	98.5	Very high	97.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-99	139.1	171.6	-70.8	-33.2	0	0	0	110.1	A67 Y87 M88 V115 S117 S118	A67-D111 PolarHBondContact O-N 2.95Å; Y87-D111 WeakPolarHBondContact CA-OD1 3.42Å; Y87-D111 WeakPolarHBondContact CB-OD1 3.46Å; M88-D111 WeakPolarHBondContact CE-OD2 3.38Å; M88-D111 WeakPolarHBondContact CG-OD1 3.4Å; M88-D111 PolarHBondContact N-OD1 2.92Å; D111-V115 VanDerWaalsContact CB-O 3.31Å; D111-V115 WeakPolarHBondContact CB-O 3.36Å; D111-S117 PolarHBondContact OD2-N 3.22Å; D111-S118 WeakPolarHBondContact CB-OG 3.37Å; D111-S118 PolarHBondContact O-OG 2.85Å
112	Y	98.3	Very high	96.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-63.6	157.8	172.6	-65.4	-64.8	0	0	0	112.3	I81 P82 F110 G114 V115 S118 W130 D133 V134 L157	I81-Y112 WeakPolarHBondContact CG2-OH 3.46Å; P82-Y112 HydrophobicContact CB-CE2 4.07Å; P82-Y112 HydrophobicContact CG-CE2 4.4Å; P82-Y112 PolarHBondContact O-OH 3.17Å; F110-Y112 AromaticContact CE2-CD1 3.78Å; F110-Y112 HydrophobicContact CE2-CD1 3.78Å; F110-Y112 AromaticContact CE2-CE1 3.9Å; F110-Y112 HydrophobicContact CE2-CE1 3.9Å; F110-Y112 HydrophobicContact CZ-CD1 4.21Å; F110-Y112 AromaticContact CZ-CE1 3.84Å; F110-Y112 HydrophobicContact CZ-CE1 3.84Å; Y112-G114 PolarHBondContact O-N 3.44Å; Y112-V115 PolarHBondContact O-N 2.77Å; Y112-S118 WeakPolarHBondContact O-CB 3.4Å; Y112-W130 HydrophobicContact CD1-CB 3.71Å; Y112-W130 AromaticContact CD1-CD1 3.99Å; Y112-W130 HydrophobicContact CD1-CD2 4.37Å; Y112-W130 AromaticContact CD1-CG 3.76Å; Y112-W130 HydrophobicContact CD1-CG 3.76Å; Y112-W130 HydrophobicContact CD2-CD2 4.46Å; Y112-W130 HydrophobicContact CE1-CB 3.98Å; Y112-W130 HydrophobicContact CE1-CG 4.4Å; Y112-W130 HydrophobicContact CG-CB 4.35Å; Y112-W130 AromaticContact CG-CD1 3.95Å; Y112-W130 HydrophobicContact CG-CD2 4.13Å; Y112-W130 AromaticContact CG-CG 3.91Å; Y112-W130 HydrophobicContact CG-CG 3.91Å; Y112-D133 HydrophobicContact CD1-CB 4.35Å; Y112-V134 HydrophobicContact CE1-CG2 4.02Å; Y112-L157 HydrophobicContact CE1-CD1 3.73Å; Y112-L157 WeakPolarHBondContact OH-CD1 3.41Å
113	S	97.7	Very high	96.2	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.042	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	132.1	169.6	68.7	0	0	0	0	110.4	V115 D119 S125 W130 D133	S113-V115 VanDerWaalsContact C-N 3.29Å; S113-D119 CarbonylContact C-O 3.54Å; S113-D119 WeakPolarHBondContact CA-O 3.31Å; S113-S125 PolarHBondContact O-OG 2.85Å; S113-W130 PolarHBondContact O-NE1 3.41Å; S113-D133 WeakPolarHBondContact CB-OD2 3.23Å; S113-D133 PolarHBondContact N-OD2 3.47Å; S113-D133 PolarHBondContact OG-OD2 2.67Å; S113-D133 VanDerWaalsContact OG-OD2 3.14Å
114	G	95.4	Very high	96	Very high	15 Å²	15	34.4 Å²	34.4	16%	0.155	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	9.4	-176.5	0	0	0	0	0	114.9	Y112 D119 S122	Y112-G114 PolarHBondContact O-N 3.44Å; G114-D119 PolarHBondContact N-O 2.9Å; G114-S122 VanDerWaalsContact O-CB 3.26Å; G114-S122 WeakPolarHBondContact O-CB 3.49Å
115	V	95.1	Very high	95.7	Very high	11 Å²	11	33 Å²	33	7%	0.067	21%	0.21	C	C	.	.	S	Bend	trans	-126.5	145.7	179.4	-178.3	0	0	0	0	110	L85 D111 Y112 S113 S117 S118 W130	L85-V115 HydrophobicContact CD2-CG2 4.02Å; D111-V115 VanDerWaalsContact CB-O 3.31Å; D111-V115 WeakPolarHBondContact CB-O 3.36Å; Y112-V115 PolarHBondContact O-N 2.77Å; S113-V115 VanDerWaalsContact C-N 3.29Å; V115-S117 PolarHBondContact O-N 2.85Å; V115-S118 PolarHBondContact O-N 3.28Å; V115-S118 VanDerWaalsContact O-N 3.09Å; V115-W130 HydrophobicContact CG2-CZ2 3.95Å
116	G	94.7	Very high	95.7	Very high	56 Å²	56	34 Å²	34	58%	0.577	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	-122.1	170.8	0	0	0	0	0	112.6
117	S	97.1	Very high	95.6	Very high	52 Å²	52	33.1 Å²	33.1	36%	0.364	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-1.5	179.4	-58.9	0	0	0	0	113.9	F57 A67 D111 V115	F57-S117 VanDerWaalsContact CE1-O 3.24Å; F57-S117 WeakPolarHBondContact CE1-O 3.46Å; A67-S117 VanDerWaalsContact CB-C 3.45Å; A67-S117 WeakPolarHBondContact CB-O 3.49Å; D111-S117 PolarHBondContact OD2-N 3.22Å; V115-S117 PolarHBondContact O-N 2.85Å
118	S	98	Very high	95.6	Very high	12 Å²	12	33.5 Å²	33.5	8%	0.084	21%	0.213	C	C	.	.	S	Bend	trans	-78.1	152.7	178.1	-70.3	0	0	0	0	111.5	L66 A67 D111 Y112 V115	L66-S118 WeakPolarHBondContact CA-OG 3.29Å; A67-S118 PolarHBondContact N-OG 2.83Å; D111-S118 WeakPolarHBondContact CB-OG 3.37Å; D111-S118 PolarHBondContact O-OG 2.85Å; Y112-S118 WeakPolarHBondContact O-CB 3.4Å; V115-S118 PolarHBondContact O-N 3.28Å; V115-S118 VanDerWaalsContact O-N 3.09Å
119	D	97.8	Very high	95.6	Very high	72 Å²	72	37.3 Å²	37.3	39%	0.385	23%	0.23	S	C	.	.			trans	-69.9	166.2	174.2	-65.1	-26.7	0	0	0	111	P64 N65 S113 G114	P64-D119 HydrophobicContact CB-CB 3.86Å; P64-D119 VanDerWaalsContact CB-O 3.24Å; P64-D119 WeakPolarHBondContact CB-O 3.36Å; N65-D119 VanDerWaalsContact CB-OD2 3.24Å; N65-D119 WeakPolarHBondContact CB-OD2 3.46Å; N65-D119 PolarHBondContact ND2-OD2 2.91Å; N65-D119 PolarHBondContact O-N 2.64Å; S113-D119 CarbonylContact C-O 3.54Å; S113-D119 WeakPolarHBondContact CA-O 3.31Å; G114-D119 PolarHBondContact N-O 2.9Å
120	G	95.4	Very high	95.6	Very high	49 Å²	49	37.1 Å²	37.1	51%	0.505	23%	0.229	S	C	.	.	S	Bend	trans	114.4	171.9	172.6	0	0	0	0	0	113.6
121	N	92.8	Very high	95.6	Very high	67 Å²	67	40.5 Å²	40.5	36%	0.358	24%	0.242	S	C	.	.			trans	-99.1	122.5	177.4	-175.4	-1.6	0	0	0	110.2	E123 E124 S125	N121-E123 VanDerWaalsContact C-N 3.27Å; N121-E123 PolarHBondContact O-N 3.3Å; N121-E123 PolarHBondContact OD1-N 3.49Å; N121-E124 HydrophobicContact CB-CB 4.2Å; N121-E124 HydrophobicContact CB-CG 4.19Å; N121-E124 PolarHBondContact ND2-OE1 3.03Å; N121-E124 PolarHBondContact O-N 2.84Å; N121-S125 PolarHBondContact O-N 2.77Å; N121-S125 PolarHBondContact O-OG 3.04Å
122	S	88.6	Confident	95.6	Very high	65 Å²	65	46 Å²	46	46%	0.455	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-61.3	-35.4	178.5	58.6	0	0	0	0	112.2	G114 E124 S125	G114-S122 VanDerWaalsContact O-CB 3.26Å; G114-S122 WeakPolarHBondContact O-CB 3.49Å; S122-E124 VanDerWaalsContact C-N 3.29Å; S122-E124 PolarHBondContact O-N 3.22Å; S122-S125 VanDerWaalsContact O-CB 3.24Å; S122-S125 WeakPolarHBondContact O-CB 3.33Å; S122-S125 PolarHBondContact O-N 2.84Å; S122-S125 PolarHBondContact O-OG 2.91Å
123	E	88.2	Confident	95.6	Very high	130 Å²	130	46.2 Å²	46.2	61%	0.607	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-71	-25.3	-178.4	-61.9	-174.2	168.4	0	0	112.8	N121	N121-E123 VanDerWaalsContact C-N 3.27Å; N121-E123 PolarHBondContact O-N 3.3Å; N121-E123 PolarHBondContact OD1-N 3.49Å
124	E	90.3	Very high	95.6	Very high	117 Å²	117	46 Å²	46	55%	0.547	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-93.4	3.7	176.6	-67	173.6	-145.1	0	0	113	N121 S122 K129	N121-E124 HydrophobicContact CB-CB 4.2Å; N121-E124 HydrophobicContact CB-CG 4.19Å; N121-E124 PolarHBondContact ND2-OE1 3.03Å; N121-E124 PolarHBondContact O-N 2.84Å; S122-E124 VanDerWaalsContact C-N 3.29Å; S122-E124 PolarHBondContact O-N 3.22Å; E124-K129 WeakPolarHBondContact O-CD 3.41Å; E124-K129 PolarHBondContact O-NZ 2.84Å
125	S	92.4	Very high	95.8	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.042	26%	0.263	C	S	.	.			trans	-67.2	143	179.7	-67.8	0	0	0	0	110.6	S113 N121 S122 W130 F221	S113-S125 PolarHBondContact O-OG 2.85Å; N121-S125 PolarHBondContact O-N 2.77Å; N121-S125 PolarHBondContact O-OG 3.04Å; S122-S125 VanDerWaalsContact O-CB 3.24Å; S122-S125 WeakPolarHBondContact O-CB 3.33Å; S122-S125 PolarHBondContact O-N 2.84Å; S122-S125 PolarHBondContact O-OG 2.91Å; S125-W130 PolarHBondContact OG-NE1 3.3Å; S125-F221 WeakPolarHBondContact O-CD2 3.45Å
126	T	96.6	Very high	96	Very high	27 Å²	27	46.5 Å²	46.5	17%	0.166	27%	0.265	C	S	.	.			trans	-135.8	161.1	175.1	78.1	0	0	0	0	109.4	G128 K129 W130 E224	T126-G128 PolarHBondContact O-N 3.36Å; T126-G128 PolarHBondContact OG1-N 3.21Å; T126-K129 HydrophobicContact CG2-CD 4.45Å; T126-K129 PolarHBondContact O-N 2.96Å; T126-K129 PolarHBondContact OG1-N 3.46Å; T126-K129 VanDerWaalsContact OG1-N 3.12Å; T126-W130 PolarHBondContact O-N 3.38Å; T126-W130 VanDerWaalsContact O-N 3.07Å; T126-E224 VanDerWaalsContact CB-CD 3.49Å; T126-E224 VanDerWaalsContact CB-OE2 3.28Å; T126-E224 WeakPolarHBondContact CB-OE2 3.3Å; T126-E224 HydrophobicContact CG2-CB 4.36Å; T126-E224 HydrophobicContact CG2-CG 4.06Å; T126-E224 PolarHBondContact OG1-OE1 3.08Å; T126-E224 PolarHBondContact OG1-OE2 2.95Å
127	L	97.5	Very high	96.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-39.4	176.9	-168.7	87.6	0	0	0	110.4	K129 W130 R131 L153 W156 L157 F221 E224 A225 H228	L127-K129 PolarHBondContact O-N 3.22Å; L127-W130 PolarHBondContact O-N 3.01Å; L127-R131 WeakPolarHBondContact O-CB 3.21Å; L127-R131 PolarHBondContact O-N 3.47Å; L127-L153 HydrophobicContact CD1-CD1 3.51Å; L127-L153 HydrophobicContact CD1-CD2 4.41Å; L127-L153 HydrophobicContact CD1-CG 4.07Å; L127-W156 HydrophobicContact CD1-CD2 4.39Å; L127-W156 HydrophobicContact CD1-CE3 3.87Å; L127-W156 HydrophobicContact CD1-CZ3 4.04Å; L127-W156 HydrophobicContact CD2-CD2 4.06Å; L127-W156 HydrophobicContact CD2-CE3 4.02Å; L127-W156 HydrophobicContact CD2-CH2 3.69Å; L127-W156 HydrophobicContact CD2-CZ2 3.72Å; L127-W156 HydrophobicContact CD2-CZ3 3.84Å; L127-L157 HydrophobicContact CD1-CD2 3.93Å; L127-L157 HydrophobicContact CD1-CG 4.44Å; L127-L157 HydrophobicContact CG-CD2 3.98Å; L127-F221 HydrophobicContact CB-CE1 4.45Å; L127-F221 HydrophobicContact CB-CZ 4.06Å; L127-F221 HydrophobicContact CD1-CZ 4.24Å; L127-E224 PolarHBondContact N-OE2 3.3Å; L127-A225 HydrophobicContact CB-CB 4.18Å; L127-A225 HydrophobicContact CD2-CB 4.32Å; L127-H228 HydrophobicContact CD2-CB 3.32Å
128	G	98.1	Very high	96.2	Very high	8 Å²	8	41.4 Å²	41.4	8%	0.082	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-37.2	175.6	0	0	0	0	0	114.1	T126 K132 E224 H228	T126-G128 PolarHBondContact O-N 3.36Å; T126-G128 PolarHBondContact OG1-N 3.21Å; G128-K132 WeakPolarHBondContact O-CG 3.48Å; G128-K132 PolarHBondContact O-N 2.96Å; G128-K132 VanDerWaalsContact O-N 3.1Å; G128-E224 VanDerWaalsContact CA-OE1 3.29Å; G128-E224 WeakPolarHBondContact CA-OE1 3.35Å; G128-E224 PolarHBondContact N-OE1 3.26Å; G128-E224 PolarHBondContact N-OE2 3.01Å; G128-H228 VanDerWaalsContact CA-CE1 3.43Å; G128-H228 WeakPolarHBondContact CA-CE1 3.25Å; G128-H228 WeakPolarHBondContact CA-NE2 3.35Å; G128-H228 PolarHBondContact N-NE2 3.4Å
129	K	97.6	Very high	96.3	Very high	84 Å²	84	43.6 Å²	43.6	37%	0.365	23%	0.232	S	C	.	.	H	α-helix	trans	-65.2	-48.5	173.4	-74	178.2	178.9	178.6	0	110.8	E124 T126 L127 R131 K132 D133	E124-K129 WeakPolarHBondContact O-CD 3.41Å; E124-K129 PolarHBondContact O-NZ 2.84Å; T126-K129 HydrophobicContact CG2-CD 4.45Å; T126-K129 PolarHBondContact O-N 2.96Å; T126-K129 PolarHBondContact OG1-N 3.46Å; T126-K129 VanDerWaalsContact OG1-N 3.12Å; L127-K129 PolarHBondContact O-N 3.22Å; K129-R131 VanDerWaalsContact C-N 3.3Å; K129-R131 PolarHBondContact O-N 3.15Å; K129-K132 WeakPolarHBondContact O-CA 3.13Å; K129-K132 WeakPolarHBondContact O-CB 3.23Å; K129-K132 PolarHBondContact O-N 3.49Å; K129-D133 PolarHBondContact O-N 2.86Å
130	W	98.3	Very high	96.3	Very high	1 Å²	1	45 Å²	45	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-28.6	178.2	-66.5	-15.5	0	0	0	113.6	Y84 L85 Y112 S113 V115 S125 T126 L127 D133 V134 L153 L157 F221	Y84-W130 AromaticContact CD2-CH2 3.79Å; Y84-W130 HydrophobicContact CD2-CH2 3.79Å; Y84-W130 AromaticContact CD2-CZ3 3.6Å; Y84-W130 HydrophobicContact CD2-CZ3 3.6Å; Y84-W130 AromaticContact CE2-CH2 3.7Å; Y84-W130 HydrophobicContact CE2-CH2 3.7Å; Y84-W130 AromaticContact CE2-CZ3 3.82Å; Y84-W130 HydrophobicContact CE2-CZ3 3.82Å; L85-W130 HydrophobicContact CD2-CH2 4.05Å; L85-W130 HydrophobicContact CD2-CZ2 4.22Å; Y112-W130 HydrophobicContact CD1-CB 3.71Å; Y112-W130 AromaticContact CD1-CD1 3.99Å; Y112-W130 HydrophobicContact CD1-CD2 4.37Å; Y112-W130 AromaticContact CD1-CG 3.76Å; Y112-W130 HydrophobicContact CD1-CG 3.76Å; Y112-W130 HydrophobicContact CD2-CD2 4.46Å; Y112-W130 HydrophobicContact CE1-CB 3.98Å; Y112-W130 HydrophobicContact CE1-CG 4.4Å; Y112-W130 HydrophobicContact CG-CB 4.35Å; Y112-W130 AromaticContact CG-CD1 3.95Å; Y112-W130 HydrophobicContact CG-CD2 4.13Å; Y112-W130 AromaticContact CG-CG 3.91Å; Y112-W130 HydrophobicContact CG-CG 3.91Å; S113-W130 PolarHBondContact O-NE1 3.41Å; V115-W130 HydrophobicContact CG2-CZ2 3.95Å; S125-W130 PolarHBondContact OG-NE1 3.3Å; T126-W130 PolarHBondContact O-N 3.38Å; T126-W130 VanDerWaalsContact O-N 3.07Å; L127-W130 PolarHBondContact O-N 3.01Å; W130-D133 WeakPolarHBondContact O-CB 3.47Å; W130-D133 PolarHBondContact O-N 3Å; W130-V134 WeakPolarHBondContact O-CG2 3.37Å; W130-V134 PolarHBondContact O-N 3.15Å; W130-L153 HydrophobicContact CE3-CD2 3.37Å; W130-L153 HydrophobicContact CZ3-CD2 3.3Å; W130-L157 HydrophobicContact CB-CD1 3.98Å; W130-F221 AromaticContact CE3-CE2 3.91Å; W130-F221 HydrophobicContact CE3-CE2 3.91Å; W130-F221 HydrophobicContact CE3-CZ 4.1Å; W130-F221 HydrophobicContact CH2-CE2 4.09Å; W130-F221 AromaticContact CZ3-CE2 3.56Å; W130-F221 HydrophobicContact CZ3-CE2 3.56Å; W130-F221 AromaticContact CZ3-CZ 3.77Å; W130-F221 HydrophobicContact CZ3-CZ 3.77Å
131	R	98.6	Very high	96.4	Very high	71 Å²	71	43.3 Å²	43.3	27%	0.268	22%	0.219	S	C	.	.	H	α-helix	trans	-60.8	-46	167	177.7	-180	171	-87	-3.9	111	L127 K129 D133 V134 L135 L157 H160	L127-R131 WeakPolarHBondContact O-CB 3.21Å; L127-R131 PolarHBondContact O-N 3.47Å; K129-R131 VanDerWaalsContact C-N 3.3Å; K129-R131 PolarHBondContact O-N 3.15Å; R131-D133 VanDerWaalsContact C-N 3.29Å; R131-D133 PolarHBondContact O-N 3.49Å; R131-V134 PolarHBondContact O-N 3.14Å; R131-L135 WeakPolarHBondContact O-CG 3.29Å; R131-L135 PolarHBondContact O-N 3.36Å; R131-L135 VanDerWaalsContact O-N 3.14Å; R131-L157 HydrophobicContact CB-CD2 3.86Å; R131-H160 HydrophobicContact CG-CB 4.09Å; R131-H160 PolarHBondContact NE-ND1 2.88Å
132	K	98.4	Very high	96.6	Very high	118 Å²	118	40.3 Å²	40.3	51%	0.513	20%	0.203	S	C	.	.	H	α-helix	trans	-62.4	-37.7	175	-69.9	175.8	-179.6	-178.3	0	111.6	G128 K129 L135 S136	G128-K132 WeakPolarHBondContact O-CG 3.48Å; G128-K132 PolarHBondContact O-N 2.96Å; G128-K132 VanDerWaalsContact O-N 3.1Å; K129-K132 WeakPolarHBondContact O-CA 3.13Å; K129-K132 WeakPolarHBondContact O-CB 3.23Å; K129-K132 PolarHBondContact O-N 3.49Å; K132-L135 PolarHBondContact O-N 2.89Å; K132-S136 PolarHBondContact O-N 2.83Å; K132-S136 PolarHBondContact O-OG 2.9Å
133	D	98.6	Very high	96.9	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-49.3	175.1	-63.2	-16.3	0	0	0	112.2	R60 L66 F110 Y112 S113 K129 W130 R131 L135 S136 I137	R60-D133 IonicContact CZ-OD1 2.69Å; R60-D133 IonicContact NH1-OD1 2.71Å; R60-D133 PolarHBondContact NH1-OD1 3.01Å; R60-D133 IonicContact NH2-OD1 2.71Å; R60-D133 PolarHBondContact NH2-OD1 2.94Å; L66-D133 HydrophobicContact CD1-CB 3.69Å; L66-D133 HydrophobicContact CD2-CB 4.23Å; F110-D133 HydrophobicContact CE2-CB 4.33Å; Y112-D133 HydrophobicContact CD1-CB 4.35Å; S113-D133 WeakPolarHBondContact CB-OD2 3.23Å; S113-D133 PolarHBondContact N-OD2 3.47Å; S113-D133 PolarHBondContact OG-OD2 2.67Å; S113-D133 VanDerWaalsContact OG-OD2 3.14Å; K129-D133 PolarHBondContact O-N 2.86Å; W130-D133 WeakPolarHBondContact O-CB 3.47Å; W130-D133 PolarHBondContact O-N 3Å; R131-D133 VanDerWaalsContact C-N 3.29Å; R131-D133 PolarHBondContact O-N 3.49Å; D133-L135 VanDerWaalsContact C-N 3.27Å; D133-L135 PolarHBondContact O-N 3.02Å; D133-S136 PolarHBondContact O-N 3.28Å; D133-I137 WeakPolarHBondContact O-CG1 3.27Å; D133-I137 PolarHBondContact O-N 3.49Å
134	V	98.8	Very high	97.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-57.2	-43	176.8	173.5	0	0	0	0	111	I81 F110 Y112 W130 R131 I137 I138 L157 A161	I81-V134 HydrophobicContact CD1-CG1 3.78Å; I81-V134 HydrophobicContact CD1-CG2 4.47Å; I81-V134 HydrophobicContact CG1-CG1 4.46Å; I81-V134 HydrophobicContact CG2-CG2 3.84Å; F110-V134 HydrophobicContact CZ-CG2 3.81Å; Y112-V134 HydrophobicContact CE1-CG2 4.02Å; W130-V134 WeakPolarHBondContact O-CG2 3.37Å; W130-V134 PolarHBondContact O-N 3.15Å; R131-V134 PolarHBondContact O-N 3.14Å; V134-I137 PolarHBondContact O-N 3.41Å; V134-I138 HydrophobicContact CG1-CD1 3.92Å; V134-I138 WeakPolarHBondContact O-CG1 3.45Å; V134-I138 PolarHBondContact O-N 3Å; V134-L157 HydrophobicContact CG2-CB 4.12Å; V134-L157 HydrophobicContact CG2-CD1 4.26Å; V134-A161 HydrophobicContact CG1-CB 3.76Å
135	L	98.8	Very high	97.7	Very high	20 Å²	20	35.4 Å²	35.4	11%	0.105	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-42.6	178	-64.4	177	0	0	0	112	R131 K132 D133 I137 I138 D139 A161 A164 R165	R131-L135 WeakPolarHBondContact O-CG 3.29Å; R131-L135 PolarHBondContact O-N 3.36Å; R131-L135 VanDerWaalsContact O-N 3.14Å; K132-L135 PolarHBondContact O-N 2.89Å; D133-L135 VanDerWaalsContact C-N 3.27Å; D133-L135 PolarHBondContact O-N 3.02Å; L135-I137 VanDerWaalsContact C-N 3.32Å; L135-I137 PolarHBondContact O-N 3.41Å; L135-I138 PolarHBondContact O-N 2.94Å; L135-I138 VanDerWaalsContact O-N 3.17Å; L135-D139 WeakPolarHBondContact O-CB 3.47Å; L135-D139 PolarHBondContact O-N 3.08Å; L135-A161 HydrophobicContact CD2-CB 4.36Å; L135-A164 HydrophobicContact CD1-CB 4.42Å; L135-A164 HydrophobicContact CD2-CB 3.8Å; L135-R165 HydrophobicContact CD2-CG 4.25Å
136	S	98.8	Very high	98	Very high	18 Å²	18	35.3 Å²	35.3	13%	0.126	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-41.6	174.2	-62.5	0	0	0	0	112.2	R60 K132 D133 I138 D139 D140	R60-S136 WeakPolarHBondContact CD-OG 3.42Å; R60-S136 PolarHBondContact NH1-OG 3.22Å; K132-S136 PolarHBondContact O-N 2.83Å; K132-S136 PolarHBondContact O-OG 2.9Å; D133-S136 PolarHBondContact O-N 3.28Å; S136-I138 VanDerWaalsContact C-N 3.34Å; S136-I138 PolarHBondContact O-N 3.26Å; S136-D139 PolarHBondContact O-N 3.32Å; S136-D140 VanDerWaalsContact O-CB 3.27Å; S136-D140 WeakPolarHBondContact O-CB 3.38Å; S136-D140 PolarHBondContact O-N 2.91Å
137	I	98.7	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-62.6	-42.9	176.4	-63.5	-65.9	0	0	0	111.1	L58 L66 I79 I108 F110 D133 V134 L135 L141 A142	L58-I137 HydrophobicContact CD2-CD1 4.34Å; L66-I137 HydrophobicContact CB-CD1 4.31Å; L66-I137 HydrophobicContact CD1-CD1 3.96Å; L66-I137 HydrophobicContact CD1-CG1 4.06Å; I79-I137 HydrophobicContact CG2-CG2 4.04Å; I108-I137 HydrophobicContact CG2-CG2 3.75Å; F110-I137 HydrophobicContact CB-CD1 3.67Å; F110-I137 HydrophobicContact CB-CG1 4.14Å; F110-I137 HydrophobicContact CD1-CB 4.42Å; F110-I137 HydrophobicContact CD1-CD1 4.31Å; F110-I137 HydrophobicContact CD1-CG1 3.84Å; F110-I137 HydrophobicContact CD1-CG2 4.09Å; F110-I137 HydrophobicContact CD2-CD1 3.91Å; F110-I137 HydrophobicContact CD2-CG1 3.62Å; F110-I137 HydrophobicContact CE1-CG1 4.16Å; F110-I137 HydrophobicContact CE1-CG2 4.48Å; F110-I137 HydrophobicContact CE2-CG1 3.95Å; F110-I137 HydrophobicContact CG-CD1 3.7Å; F110-I137 HydrophobicContact CG-CG1 3.58Å; F110-I137 HydrophobicContact CZ-CG1 4.22Å; D133-I137 WeakPolarHBondContact O-CG1 3.27Å; D133-I137 PolarHBondContact O-N 3.49Å; V134-I137 PolarHBondContact O-N 3.41Å; L135-I137 VanDerWaalsContact C-N 3.32Å; L135-I137 PolarHBondContact O-N 3.41Å; I137-L141 HydrophobicContact CD1-CD1 3.62Å; I137-L141 WeakPolarHBondContact O-CB 3.46Å; I137-L141 PolarHBondContact O-N 3.46Å; I137-A142 PolarHBondContact O-N 3.46Å
138	I	98.7	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-66.2	-48.2	178.2	-69.1	166.8	0	0	0	110.4	I79 V134 L135 S136 A142 L148 A161 R165 K168 V169	I79-I138 HydrophobicContact CD1-CG1 3.74Å; V134-I138 HydrophobicContact CG1-CD1 3.92Å; V134-I138 WeakPolarHBondContact O-CG1 3.45Å; V134-I138 PolarHBondContact O-N 3Å; L135-I138 PolarHBondContact O-N 2.94Å; L135-I138 VanDerWaalsContact O-N 3.17Å; S136-I138 VanDerWaalsContact C-N 3.34Å; S136-I138 PolarHBondContact O-N 3.26Å; I138-A142 VanDerWaalsContact O-CB 3.29Å; I138-A142 WeakPolarHBondContact O-CB 3.24Å; I138-A142 PolarHBondContact O-N 2.83Å; I138-L148 HydrophobicContact CD1-CD1 4.09Å; I138-L148 HydrophobicContact CD1-CD2 4.14Å; I138-L148 HydrophobicContact CG1-CD2 4.38Å; I138-A161 HydrophobicContact CD1-CB 3.66Å; I138-R165 HydrophobicContact CG2-CB 4.49Å; I138-R165 HydrophobicContact CG2-CG 4.18Å; I138-K168 HydrophobicContact CG2-CD 3.74Å; I138-K168 HydrophobicContact CG2-CG 4.29Å; I138-K168 WeakPolarHBondContact O-CE 3.38Å; I138-K168 PolarHBondContact O-NZ 2.92Å; I138-V169 HydrophobicContact CD1-CG2 4.48Å
139	D	98.5	Very high	98.2	Very high	59 Å²	59	33.7 Å²	33.7	32%	0.316	18%	0.179	S	C	.	.	I	π-helix	trans	-75.6	-45.2	-170.1	-66.2	-20.8	0	0	0	112.1	L135 S136 R165	L135-D139 WeakPolarHBondContact O-CB 3.47Å; L135-D139 PolarHBondContact O-N 3.08Å; S136-D139 PolarHBondContact O-N 3.32Å; D139-R165 WeakPolarHBondContact OD1-CD 3.34Å; D139-R165 IonicContact OD1-CZ 2.99Å; D139-R165 IonicContact OD1-NE 3.8Å; D139-R165 PolarHBondContact OD1-NE 3.1Å; D139-R165 IonicContact OD1-NH2 3.72Å; D139-R165 IonicContact OD2-CZ 2.99Å; D139-R165 IonicContact OD2-NE 2.83Å; D139-R165 PolarHBondContact OD2-NE 3.07Å; D139-R165 IonicContact OD2-NH2 2.67Å; D139-R165 PolarHBondContact OD2-NH2 3.36Å
140	D	98.1	Very high	98.3	Very high	100 Å²	100	29.7 Å²	29.7	54%	0.535	16%	0.162	S	C	.	.	I	π-helix	trans	-96.9	-21.2	-167.2	-52.9	-40.5	0	0	0	113.2	L58 S136	L58-D140 HydrophobicContact CD1-CB 3.72Å; L58-D140 HydrophobicContact CD2-CB 4.11Å; S136-D140 VanDerWaalsContact O-CB 3.27Å; S136-D140 WeakPolarHBondContact O-CB 3.38Å; S136-D140 PolarHBondContact O-N 2.91Å
141	L	97.1	Very high	98.3	Very high	15 Å²	15	30 Å²	30	8%	0.079	16%	0.164	C	C	.	.	I	π-helix	trans	-117.3	-29.6	-176.8	-59.3	179.3	0	0	0	114.6	L58 Y68 K70 I108 I137	L58-L141 HydrophobicContact CB-CD1 4.23Å; L58-L141 HydrophobicContact CB-CD2 4.43Å; L58-L141 HydrophobicContact CD1-CD2 3.9Å; L58-L141 HydrophobicContact CD1-CG 4.2Å; L58-L141 HydrophobicContact CD2-CD1 4.22Å; L58-L141 HydrophobicContact CD2-CG 4.12Å; Y68-L141 HydrophobicContact CD1-CD1 3.45Å; Y68-L141 VanDerWaalsContact CD1-CD1 3.45Å; Y68-L141 HydrophobicContact CD1-CD2 4.5Å; Y68-L141 HydrophobicContact CD2-CD1 3.83Å; Y68-L141 HydrophobicContact CE1-CD1 3.59Å; Y68-L141 HydrophobicContact CE1-CD2 3.77Å; Y68-L141 HydrophobicContact CE1-CG 4.35Å; Y68-L141 HydrophobicContact CE2-CD1 3.98Å; Y68-L141 HydrophobicContact CE2-CD2 4.24Å; Y68-L141 HydrophobicContact CG-CD1 3.58Å; K70-L141 WeakPolarHBondContact CE-O 3.25Å; K70-L141 PolarHBondContact NZ-O 2.99Å; I108-L141 HydrophobicContact CD1-CB 4.08Å; I137-L141 HydrophobicContact CD1-CD1 3.62Å; I137-L141 WeakPolarHBondContact O-CB 3.46Å; I137-L141 PolarHBondContact O-N 3.46Å
142	A	97.5	Very high	98.3	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.033	16%	0.156	C	C	.	.			trans	-87.4	134.9	-173.2	0	0	0	0	0	111.9	I79 I108 I137 I138 Q146 K168	I79-A142 HydrophobicContact CD1-CB 3.78Å; I108-A142 HydrophobicContact CD1-CB 3.94Å; I137-A142 PolarHBondContact O-N 3.46Å; I138-A142 VanDerWaalsContact O-CB 3.29Å; I138-A142 WeakPolarHBondContact O-CB 3.24Å; I138-A142 PolarHBondContact O-N 2.83Å; A142-Q146 HydrophobicContact CB-CG 3.85Å; A142-K168 WeakPolarHBondContact O-CE 3.41Å; A142-K168 PolarHBondContact O-NZ 3.5Å
143	D	96	Very high	98.2	Very high	113 Å²	113	22 Å²	22	60%	0.604	13%	0.134	S	C	*	.			trans	-107.6	124	-179.9	-59.4	-61.9	0	0	0	110.2	K70 Q146	K70-D143 IonicContact NZ-OD2 3.17Å; K70-D143 PolarHBondContact NZ-OD2 2.99Å; D143-Q146 PolarHBondContact O-NE2 3.11Å
144	G	97	Very high	98.3	Very high	40 Å²	40	21.9 Å²	21.9	41%	0.412	13%	0.133	S	C	.	.	S	Bend	trans	68.4	-160.5	178.7	0	0	0	0	0	114.7	Q146 K168	G144-Q146 PolarHBondContact O-NE2 2.8Å; G144-K168 WeakPolarHBondContact O-CG 3.36Å
145	P	98.2	Very high	98.3	Very high	56 Å²	56	21.9 Å²	21.9	36%	0.364	13%	0.133	S	C	.	.			trans	-59.8	138.9	-179.1	-27.3	36.8	0	0	0	114	P76 G77 K168 V170	P76-P145 CarbonylContact C-O 3.53Å; P76-P145 VanDerWaalsContact CA-O 3.23Å; P76-P145 WeakPolarHBondContact CA-O 3.26Å; P76-P145 HydrophobicContact CB-CB 4.25Å; G77-P145 PolarHBondContact N-O 3.3Å; P145-K168 CarbonylContact C-O 3.55Å; P145-K168 WeakPolarHBondContact CA-O 3.28Å; P145-V170 HydrophobicContact CB-CB 4.46Å; P145-V170 HydrophobicContact CB-CG1 3.73Å; P145-V170 HydrophobicContact CB-CG2 3.88Å
146	Q	98.8	Very high	98.3	Very high	4 Å²	4	21 Å²	21	2%	0.019	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.5	-178.5	-53.7	-56.5	-54.6	0	0	112.6	G77 I79 A142 D143 G144 L148 K168 V169 V170	G77-Q146 CarbonylContact O-C 3.59Å; G77-Q146 WeakPolarHBondContact O-CA 3.31Å; I79-Q146 HydrophobicContact CD1-CB 4.17Å; I79-Q146 HydrophobicContact CD1-CG 3.88Å; I79-Q146 HydrophobicContact CG1-CB 4.48Å; I79-Q146 HydrophobicContact CG1-CG 4.45Å; A142-Q146 HydrophobicContact CB-CG 3.85Å; D143-Q146 PolarHBondContact O-NE2 3.11Å; G144-Q146 PolarHBondContact O-NE2 2.8Å; Q146-L148 HydrophobicContact CB-CD2 4.23Å; Q146-K168 HydrophobicContact CG-CG 4.34Å; Q146-K168 PolarHBondContact N-O 3.42Å; Q146-V169 WeakPolarHBondContact O-CA 3.3Å; Q146-V170 WeakPolarHBondContact O-CG2 3.42Å; Q146-V170 PolarHBondContact O-N 2.92Å
147	I	98.9	Very high	98.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.7	160.5	-58.3	174.7	0	0	0	107.2	P76 G77 I78 I79 V170 A171 I173 L297 I298 L301	P76-I147 HydrophobicContact CB-CD1 4.42Å; P76-I147 HydrophobicContact CB-CG1 4.16Å; P76-I147 HydrophobicContact CG-CD1 3.99Å; P76-I147 HydrophobicContact CG-CG1 4.27Å; G77-I147 PolarHBondContact O-N 3.13Å; I78-I147 WeakPolarHBondContact CA-O 3.43Å; I79-I147 PolarHBondContact N-O 3.03Å; I147-V170 HydrophobicContact CG1-CG2 4.33Å; I147-A171 WeakPolarHBondContact CA-O 3.33Å; I147-A171 HydrophobicContact CG1-CB 4.29Å; I147-A171 HydrophobicContact CG2-CB 4.4Å; I147-I173 HydrophobicContact CG2-CD1 4.25Å; I147-I173 HydrophobicContact CG2-CG1 4.42Å; I147-L297 HydrophobicContact CG2-CD2 4.28Å; I147-I298 HydrophobicContact CD1-CG1 3.77Å; I147-L301 HydrophobicContact CD1-CD1 3.95Å; I147-L301 HydrophobicContact CG1-CD1 4.01Å
148	L	98.9	Very high	98.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.3	175.1	-51.5	-176	0	0	0	110.1	I79 I81 I138 Q146 M158 A161 V169 A171 L172 I173	I79-L148 HydrophobicContact CB-CD2 3.81Å; I79-L148 HydrophobicContact CD1-CD2 3.94Å; I79-L148 HydrophobicContact CG1-CD2 4.21Å; I81-L148 HydrophobicContact CD1-CB 4.1Å; I81-L148 HydrophobicContact CD1-CD1 4.13Å; I81-L148 HydrophobicContact CD1-CD2 4.46Å; I81-L148 HydrophobicContact CD1-CG 4.47Å; I138-L148 HydrophobicContact CD1-CD1 4.09Å; I138-L148 HydrophobicContact CD1-CD2 4.14Å; I138-L148 HydrophobicContact CG1-CD2 4.38Å; Q146-L148 HydrophobicContact CB-CD2 4.23Å; L148-M158 HydrophobicContact CB-CB 4.03Å; L148-M158 HydrophobicContact CD1-CB 4.12Å; L148-A161 HydrophobicContact CD1-CB 3.65Å; L148-V169 HydrophobicContact CD1-CB 4.46Å; L148-V169 HydrophobicContact CD1-CG1 3.83Å; L148-V169 HydrophobicContact CD1-CG2 3.71Å; L148-V169 HydrophobicContact CD2-CG2 4.49Å; L148-V169 HydrophobicContact CG-CG1 3.84Å; L148-V169 HydrophobicContact CG-CG2 4.09Å; L148-A171 PolarHBondContact N-O 3.47Å; L148-L172 HydrophobicContact CB-CD2 3.71Å; L148-L172 HydrophobicContact CD1-CD2 4Å; L148-L172 HydrophobicContact CG-CD2 4.08Å; L148-I173 PolarHBondContact O-N 2.68Å
149	V	98.9	Very high	98.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	100.5	174.6	-174.9	0	0	0	0	108.6	I78 I79 F80 I81 I96 I173 L290 I294	I78-V149 HydrophobicContact CG2-CG2 3.82Å; I79-V149 PolarHBondContact O-N 2.88Å; F80-V149 WeakPolarHBondContact CA-O 3.32Å; F80-V149 HydrophobicContact CD2-CB 4.24Å; F80-V149 HydrophobicContact CD2-CG1 4.06Å; F80-V149 WeakPolarHBondContact CD2-O 3.27Å; F80-V149 HydrophobicContact CE2-CG1 4.44Å; I81-V149 PolarHBondContact N-O 3.49Å; I96-V149 HydrophobicContact CD1-CB 4.21Å; I96-V149 HydrophobicContact CD1-CG1 3.76Å; V149-I173 CarbonylContact C-O 3.56Å; V149-I173 VanDerWaalsContact CA-O 3.3Å; V149-I173 WeakPolarHBondContact CA-O 3.43Å; V149-I173 HydrophobicContact CG1-CB 4.4Å; V149-I173 HydrophobicContact CG1-CG2 4.47Å; V149-I173 HydrophobicContact CG2-CB 4.25Å; V149-I173 HydrophobicContact CG2-CD1 4.38Å; V149-L290 HydrophobicContact CG1-CD1 3.95Å; V149-I294 HydrophobicContact CG2-CD1 4.22Å; V149-I294 HydrophobicContact CG2-CG1 4.31Å
150	G	98.8	Very high	98.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.9	-175.9	0	0	0	0	0	113	G154 I173 G174 V175	G150-G154 VanDerWaalsContact CA-C 3.46Å; G150-I173 PolarHBondContact N-O 2.75Å; G150-G174 CarbonylContact O-C 3.19Å; G150-G174 WeakPolarHBondContact O-CA 3.47Å; G150-V175 PolarHBondContact O-N 2.76Å
151	S	98.8	Very high	98.3	Very high	7 Å²	7	13.4 Å²	13.4	5%	0.049	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.7	176.3	-173.8	0	0	0	0	111.4	I81 P82 G83 K92 L153 G154 V175	I81-S151 PolarHBondContact O-N 2.78Å; P82-S151 CarbonylContact C-O 3.54Å; G83-S151 WeakPolarHBondContact CA-O 3.37Å; G83-S151 PolarHBondContact N-O 3.18Å; K92-S151 WeakPolarHBondContact CE-OG 3.4Å; K92-S151 PolarHBondContact NZ-OG 3.29Å; S151-L153 PolarHBondContact O-N 2.79Å; S151-L153 VanDerWaalsContact O-N 3.12Å; S151-G154 WeakPolarHBondContact O-CA 3.47Å; S151-G154 PolarHBondContact O-N 3.38Å; S151-V175 CarbonylContact C-O 3.32Å; S151-V175 WeakPolarHBondContact CA-O 3.01Å
152	S	97.5	Very high	98.4	Very high	13 Å²	13	12.9 Å²	12.9	9%	0.091	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-116.1	176.9	-174.3	0	0	0	0	111.3	G154 G155 V175 A176 A178 H279	S152-G154 PolarHBondContact O-N 2.79Å; S152-G155 WeakPolarHBondContact O-CA 3.39Å; S152-G155 PolarHBondContact O-N 2.89Å; S152-V175 PolarHBondContact N-O 3Å; S152-A176 VanDerWaalsContact CA-O 3.29Å; S152-A176 WeakPolarHBondContact CA-O 3.43Å; S152-A178 VanDerWaalsContact C-CB 3.49Å; S152-A178 PolarHBondContact O-N 3.26Å; S152-H279 PolarHBondContact OG-CE1 2.73Å; S152-H279 VanDerWaalsContact OG-CE1 3.23Å; S152-H279 PolarHBondContact OG-NE2 3.3Å
153	L	97.8	Very high	98.5	Very high	10 Å²	10	15.3 Å²	15.3	5%	0.052	10%	0.095	C	C	.	.	H	α-helix	trans	-51.8	-39	171.6	-167.7	77.6	0	0	0	113.1	Y84 L127 W130 S151 G155 W156 L157	Y84-L153 HydrophobicContact CD2-CD2 4.1Å; L127-L153 HydrophobicContact CD1-CD1 3.51Å; L127-L153 HydrophobicContact CD1-CD2 4.41Å; L127-L153 HydrophobicContact CD1-CG 4.07Å; W130-L153 HydrophobicContact CE3-CD2 3.37Å; W130-L153 HydrophobicContact CZ3-CD2 3.3Å; S151-L153 PolarHBondContact O-N 2.79Å; S151-L153 VanDerWaalsContact O-N 3.12Å; L153-G155 PolarHBondContact O-N 2.85Å; L153-W156 HydrophobicContact CD1-CE3 4.11Å; L153-W156 WeakPolarHBondContact O-CA 3.49Å; L153-W156 VanDerWaalsContact O-CB 3.32Å; L153-W156 WeakPolarHBondContact O-CB 3.42Å; L153-W156 PolarHBondContact O-N 2.87Å; L153-L157 HydrophobicContact CD2-CD1 4.48Å; L153-L157 HydrophobicContact CG-CD1 4.45Å; L153-L157 PolarHBondContact O-N 2.79Å
154	G	98.7	Very high	98.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.3	-27.5	176.6	0	0	0	0	0	113.3	I81 P82 G150 S151 S152 W156 L157 M158	I81-G154 VanDerWaalsContact CG2-CA 3.46Å; P82-G154 WeakPolarHBondContact O-CA 3.47Å; P82-G154 PolarHBondContact O-N 3.16Å; P82-G154 VanDerWaalsContact O-N 3.12Å; G150-G154 VanDerWaalsContact CA-C 3.46Å; S151-G154 WeakPolarHBondContact O-CA 3.47Å; S151-G154 PolarHBondContact O-N 3.38Å; S152-G154 PolarHBondContact O-N 2.79Å; G154-W156 VanDerWaalsContact C-N 3.32Å; G154-L157 PolarHBondContact O-N 2.85Å; G154-M158 WeakPolarHBondContact O-CB 3.45Å; G154-M158 PolarHBondContact O-N 2.86Å
155	G	98.8	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-70.2	-26.6	171.5	0	0	0	0	0	113.1	S152 L153 M158 L159	S152-G155 WeakPolarHBondContact O-CA 3.39Å; S152-G155 PolarHBondContact O-N 2.89Å; L153-G155 PolarHBondContact O-N 2.85Å; G155-M158 VanDerWaalsContact O-CG 3.32Å; G155-M158 WeakPolarHBondContact O-CG 3.46Å; G155-L159 WeakPolarHBondContact O-CG 3.43Å
156	W	98.8	Very high	98.7	Very high	1 Å²	1	14 Å²	14	0%	0.004	8%	0.079	C	C	.	.	H	α-helix	trans	-75.8	-44.7	171.3	-171.3	6.9	0	0	0	110.4	L127 L153 G154 M158 L159 H160 A179 D180 V183 A225 H228	L127-W156 HydrophobicContact CD1-CD2 4.39Å; L127-W156 HydrophobicContact CD1-CE3 3.87Å; L127-W156 HydrophobicContact CD1-CZ3 4.04Å; L127-W156 HydrophobicContact CD2-CD2 4.06Å; L127-W156 HydrophobicContact CD2-CE3 4.02Å; L127-W156 HydrophobicContact CD2-CH2 3.69Å; L127-W156 HydrophobicContact CD2-CZ2 3.72Å; L127-W156 HydrophobicContact CD2-CZ3 3.84Å; L153-W156 HydrophobicContact CD1-CE3 4.11Å; L153-W156 WeakPolarHBondContact O-CA 3.49Å; L153-W156 VanDerWaalsContact O-CB 3.32Å; L153-W156 WeakPolarHBondContact O-CB 3.42Å; L153-W156 PolarHBondContact O-N 2.87Å; G154-W156 VanDerWaalsContact C-N 3.32Å; W156-M158 PolarHBondContact O-N 2.97Å; W156-L159 WeakPolarHBondContact O-CB 3.25Å; W156-L159 PolarHBondContact O-N 2.86Å; W156-H160 AromaticContact CD1-CD2 3.82Å; W156-H160 AromaticContact CD1-NE2 3.95Å; W156-H160 AromaticContact NE1-CD2 3.92Å; W156-H160 AromaticContact NE1-NE2 3.57Å; W156-H160 PolarHBondContact O-N 2.61Å; W156-A179 HydrophobicContact CG-CB 4.48Å; W156-D180 HydrophobicContact CZ2-CB 4.49Å; W156-D180 WeakPolarHBondContact CZ2-OD1 3.47Å; W156-D180 PolarHBondContact NE1-OD1 3.39Å; W156-V183 HydrophobicContact CH2-CG2 4.26Å; W156-A225 HydrophobicContact CH2-CB 4.03Å; W156-A225 HydrophobicContact CZ3-CB 4.42Å; W156-H228 HydrophobicContact CZ2-CB 4.25Å; W156-H228 VanDerWaalsContact CZ2-O 3.31Å; W156-H228 WeakPolarHBondContact CZ2-O 3.46Å; W156-H228 PolarHBondContact NE1-O 2.91Å
157	L	98.9	Very high	98.6	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-66.7	-32.8	179.3	-64	174.1	0	0	0	113	I81 Y112 L127 W130 R131 V134 L153 G154 L159 H160 A161	I81-L157 HydrophobicContact CG2-CB 4.35Å; Y112-L157 HydrophobicContact CE1-CD1 3.73Å; Y112-L157 WeakPolarHBondContact OH-CD1 3.41Å; L127-L157 HydrophobicContact CD1-CD2 3.93Å; L127-L157 HydrophobicContact CD1-CG 4.44Å; L127-L157 HydrophobicContact CG-CD2 3.98Å; W130-L157 HydrophobicContact CB-CD1 3.98Å; R131-L157 HydrophobicContact CB-CD2 3.86Å; V134-L157 HydrophobicContact CG2-CB 4.12Å; V134-L157 HydrophobicContact CG2-CD1 4.26Å; L153-L157 HydrophobicContact CD2-CD1 4.48Å; L153-L157 HydrophobicContact CG-CD1 4.45Å; L153-L157 PolarHBondContact O-N 2.79Å; G154-L157 PolarHBondContact O-N 2.85Å; L157-L159 VanDerWaalsContact C-N 3.28Å; L157-L159 PolarHBondContact O-N 2.69Å; L157-H160 WeakPolarHBondContact O-CB 3.47Å; L157-H160 PolarHBondContact O-N 3.36Å; L157-A161 WeakPolarHBondContact O-CB 3.15Å; L157-A161 PolarHBondContact O-N 2.8Å
158	M	98.9	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-32.7	176	81.2	177.9	-178.6	0	0	112.2	I81 L148 G154 G155 W156 A161 A162 L172 G174 L243	I81-M158 HydrophobicContact CD1-CB 3.8Å; L148-M158 HydrophobicContact CB-CB 4.03Å; L148-M158 HydrophobicContact CD1-CB 4.12Å; G154-M158 WeakPolarHBondContact O-CB 3.45Å; G154-M158 PolarHBondContact O-N 2.86Å; G155-M158 VanDerWaalsContact O-CG 3.32Å; G155-M158 WeakPolarHBondContact O-CG 3.46Å; W156-M158 PolarHBondContact O-N 2.97Å; M158-A161 PolarHBondContact O-N 2.91Å; M158-A162 WeakPolarHBondContact O-CB 3.26Å; M158-A162 PolarHBondContact O-N 2.86Å; M158-L172 HydrophobicContact CB-CD2 4.11Å; M158-L172 HydrophobicContact CE-CB 4.02Å; M158-L172 HydrophobicContact CE-CD1 4.4Å; M158-L172 HydrophobicContact CG-CD1 4.36Å; M158-L172 HydrophobicContact CG-CD2 3.99Å; M158-L172 HydrophobicContact SD-CB 4.06Å; M158-L172 HydrophobicContact SD-CD2 4.08Å; M158-G174 VanDerWaalsContact CE-CA 3.49Å; M158-L243 HydrophobicContact CE-CD2 4.26Å
159	L	98.9	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.6	-46.7	175.6	-65.7	167.8	0	0	0	109.8	G155 W156 L157 A161 A162 I163 L172 T177 A179 L230 I235 V260 V264	G155-L159 WeakPolarHBondContact O-CG 3.43Å; W156-L159 WeakPolarHBondContact O-CB 3.25Å; W156-L159 PolarHBondContact O-N 2.86Å; L157-L159 VanDerWaalsContact C-N 3.28Å; L157-L159 PolarHBondContact O-N 2.69Å; L159-A161 VanDerWaalsContact C-N 3.28Å; L159-A161 PolarHBondContact O-N 3.5Å; L159-A162 PolarHBondContact O-N 3.36Å; L159-I163 VanDerWaalsContact O-CG1 3.25Å; L159-I163 WeakPolarHBondContact O-CG1 3.36Å; L159-I163 PolarHBondContact O-N 2.8Å; L159-L172 HydrophobicContact CD2-CD1 3.91Å; L159-T177 HydrophobicContact CD1-CG2 4.48Å; L159-A179 HydrophobicContact CD1-CB 4.36Å; L159-L230 HydrophobicContact CB-CD1 3.67Å; L159-L230 HydrophobicContact CD1-CD1 4.11Å; L159-I235 HydrophobicContact CD2-CG2 4.47Å; L159-V260 HydrophobicContact CD1-CG1 3.96Å; L159-V260 HydrophobicContact CD1-CG2 4.35Å; L159-V260 HydrophobicContact CD2-CG1 4.19Å; L159-V264 HydrophobicContact CD2-CG1 4.39Å
160	H	98.9	Very high	98.5	Very high	16 Å²	16	24 Å²	24	7%	0.074	13%	0.128	C	C	.	.	H	α-helix	trans	-57.9	-40.8	173.3	-83.1	-76.1	0	0	0	112.8	R131 W156 L157 I163 A164 H228	R131-H160 HydrophobicContact CG-CB 4.09Å; R131-H160 PolarHBondContact NE-ND1 2.88Å; W156-H160 AromaticContact CD1-CD2 3.82Å; W156-H160 AromaticContact CD1-NE2 3.95Å; W156-H160 AromaticContact NE1-CD2 3.92Å; W156-H160 AromaticContact NE1-NE2 3.57Å; W156-H160 PolarHBondContact O-N 2.61Å; L157-H160 WeakPolarHBondContact O-CB 3.47Å; L157-H160 PolarHBondContact O-N 3.36Å; H160-I163 PolarHBondContact O-N 2.76Å; H160-A164 WeakPolarHBondContact O-CB 3.48Å; H160-A164 PolarHBondContact O-N 3.05Å; H160-A164 VanDerWaalsContact O-N 3.07Å; H160-H228 PolarHBondContact CE1-O 2.85Å; H160-H228 PolarHBondContact NE2-O 2.83Å
161	A	98.9	Very high	98.5	Very high	1 Å²	1	24 Å²	24	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-65.8	-43.3	177.3	0	0	0	0	0	112.3	V134 L135 I138 L148 L157 M158 L159 I163 A164 R165	V134-A161 HydrophobicContact CG1-CB 3.76Å; L135-A161 HydrophobicContact CD2-CB 4.36Å; I138-A161 HydrophobicContact CD1-CB 3.66Å; L148-A161 HydrophobicContact CD1-CB 3.65Å; L157-A161 WeakPolarHBondContact O-CB 3.15Å; L157-A161 PolarHBondContact O-N 2.8Å; M158-A161 PolarHBondContact O-N 2.91Å; L159-A161 VanDerWaalsContact C-N 3.28Å; L159-A161 PolarHBondContact O-N 3.5Å; A161-I163 VanDerWaalsContact C-N 3.34Å; A161-I163 PolarHBondContact O-N 3.18Å; A161-A164 PolarHBondContact O-N 3.42Å; A161-R165 PolarHBondContact O-N 3.29Å
162	A	98.9	Very high	98.6	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.033	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-36.7	176.8	0	0	0	0	0	112.9	M158 L159 A164 P166 V169 L172 V237	M158-A162 WeakPolarHBondContact O-CB 3.26Å; M158-A162 PolarHBondContact O-N 2.86Å; L159-A162 PolarHBondContact O-N 3.36Å; A162-A164 VanDerWaalsContact C-N 3.33Å; A162-P166 WeakPolarHBondContact O-CA 3.47Å; A162-V169 HydrophobicContact CB-CB 4.29Å; A162-V169 HydrophobicContact CB-CG1 3.83Å; A162-L172 HydrophobicContact CB-CD1 3.89Å; A162-L172 HydrophobicContact CB-CD2 4.15Å; A162-L172 HydrophobicContact CB-CG 4.34Å; A162-V237 HydrophobicContact CB-CG1 3.99Å; A162-V237 HydrophobicContact CB-CG2 3.78Å
163	I	98.8	Very high	98.6	Very high	56 Å²	56	23 Å²	23	29%	0.287	12%	0.121	S	C	.	.	H	α-helix	trans	-63.8	-41.2	173	-65.9	166.1	0	0	0	110.7	L159 H160 A161 L230 I235 P236 V237	L159-I163 VanDerWaalsContact O-CG1 3.25Å; L159-I163 WeakPolarHBondContact O-CG1 3.36Å; L159-I163 PolarHBondContact O-N 2.8Å; H160-I163 PolarHBondContact O-N 2.76Å; A161-I163 VanDerWaalsContact C-N 3.34Å; A161-I163 PolarHBondContact O-N 3.18Å; I163-L230 HydrophobicContact CD1-CD1 4.49Å; I163-L230 HydrophobicContact CD1-CD2 4.06Å; I163-I235 HydrophobicContact CD1-CG2 4.12Å; I163-P236 HydrophobicContact CD1-CG 4.3Å; I163-P236 HydrophobicContact CG1-CG 4.01Å; I163-P236 HydrophobicContact CG2-CG 4.09Å; I163-V237 HydrophobicContact CG1-CG2 3.73Å
164	A	98.8	Very high	98.7	Very high	24 Å²	24	22.5 Å²	22.5	20%	0.198	12%	0.118	C	C	.	.	H	α-helix	trans	-81	-26.1	-174.9	0	0	0	0	0	114	L135 H160 A161 A162 P166	L135-A164 HydrophobicContact CD1-CB 4.42Å; L135-A164 HydrophobicContact CD2-CB 3.8Å; H160-A164 WeakPolarHBondContact O-CB 3.48Å; H160-A164 PolarHBondContact O-N 3.05Å; H160-A164 VanDerWaalsContact O-N 3.07Å; A161-A164 PolarHBondContact O-N 3.42Å; A162-A164 VanDerWaalsContact C-N 3.33Å; A164-P166 VanDerWaalsContact C-CD 3.45Å
165	R	98.7	Very high	98.7	Very high	66 Å²	66	22.6 Å²	22.6	25%	0.249	12%	0.119	C	C	.	.			trans	-132.5	55.2	-176.5	-59.4	-65.2	178.8	-92.5	-1	111.9	L135 I138 D139 A161 E167 K168 V169	L135-R165 HydrophobicContact CD2-CG 4.25Å; I138-R165 HydrophobicContact CG2-CB 4.49Å; I138-R165 HydrophobicContact CG2-CG 4.18Å; D139-R165 WeakPolarHBondContact OD1-CD 3.34Å; D139-R165 IonicContact OD1-CZ 2.99Å; D139-R165 IonicContact OD1-NE 3.8Å; D139-R165 PolarHBondContact OD1-NE 3.1Å; D139-R165 IonicContact OD1-NH2 3.72Å; D139-R165 IonicContact OD2-CZ 2.99Å; D139-R165 IonicContact OD2-NE 2.83Å; D139-R165 PolarHBondContact OD2-NE 3.07Å; D139-R165 IonicContact OD2-NH2 2.67Å; D139-R165 PolarHBondContact OD2-NH2 3.36Å; A161-R165 PolarHBondContact O-N 3.29Å; R165-E167 WeakPolarHBondContact CD-OE1 3.44Å; R165-E167 PolarHBondContact O-N 2.7Å; R165-E167 VanDerWaalsContact O-N 3.16Å; R165-K168 HydrophobicContact CB-CB 4.22Å; R165-K168 PolarHBondContact O-N 2.79Å; R165-V169 HydrophobicContact CB-CG2 4.23Å; R165-V169 PolarHBondContact O-N 3.29Å
166	P	98.3	Very high	98.7	Very high	90 Å²	90	22.6 Å²	22.6	58%	0.584	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.5	-176.7	27.3	-36.5	0	0	0	113.3	A162 A164	A162-P166 WeakPolarHBondContact O-CA 3.47Å; A164-P166 VanDerWaalsContact C-CD 3.45Å
167	E	97.1	Very high	98.7	Very high	134 Å²	134	22.6 Å²	22.6	63%	0.626	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-23.2	176.7	73.3	-66.9	159.9	0	0	113.8	R165	R165-E167 WeakPolarHBondContact CD-OE1 3.44Å; R165-E167 PolarHBondContact O-N 2.7Å; R165-E167 VanDerWaalsContact O-N 3.16Å
168	K	97.9	Very high	98.6	Very high	39 Å²	39	23 Å²	23	17%	0.17	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-30.9	-175.9	-157.5	164.8	-178.2	178	0	112.1	I138 A142 G144 P145 Q146 R165 V170	I138-K168 HydrophobicContact CG2-CD 3.74Å; I138-K168 HydrophobicContact CG2-CG 4.29Å; I138-K168 WeakPolarHBondContact O-CE 3.38Å; I138-K168 PolarHBondContact O-NZ 2.92Å; A142-K168 WeakPolarHBondContact O-CE 3.41Å; A142-K168 PolarHBondContact O-NZ 3.5Å; G144-K168 WeakPolarHBondContact O-CG 3.36Å; P145-K168 CarbonylContact C-O 3.55Å; P145-K168 WeakPolarHBondContact CA-O 3.28Å; Q146-K168 HydrophobicContact CG-CG 4.34Å; Q146-K168 PolarHBondContact N-O 3.42Å; R165-K168 HydrophobicContact CB-CB 4.22Å; R165-K168 PolarHBondContact O-N 2.79Å; K168-V170 PolarHBondContact O-N 3.23Å
169	V	98.8	Very high	98.6	Very high	2 Å²	2	23 Å²	23	1%	0.012	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	102.7	-179	179.9	0	0	0	0	110.6	I138 Q146 L148 A162 R165 L172	I138-V169 HydrophobicContact CD1-CG2 4.48Å; Q146-V169 WeakPolarHBondContact O-CA 3.3Å; L148-V169 HydrophobicContact CD1-CB 4.46Å; L148-V169 HydrophobicContact CD1-CG1 3.83Å; L148-V169 HydrophobicContact CD1-CG2 3.71Å; L148-V169 HydrophobicContact CD2-CG2 4.49Å; L148-V169 HydrophobicContact CG-CG1 3.84Å; L148-V169 HydrophobicContact CG-CG2 4.09Å; A162-V169 HydrophobicContact CB-CB 4.29Å; A162-V169 HydrophobicContact CB-CG1 3.83Å; R165-V169 HydrophobicContact CB-CG2 4.23Å; R165-V169 PolarHBondContact O-N 3.29Å; V169-L172 HydrophobicContact CG1-CD2 3.67Å; V169-L172 HydrophobicContact CG1-CG 4.41Å
170	V	98.7	Very high	98.6	Very high	39 Å²	39	23.3 Å²	23.3	24%	0.236	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-15.2	-173.2	-67.1	0	0	0	0	114.6	P76 P145 Q146 I147 K168 C239 P240 L301	P76-V170 HydrophobicContact CB-CG2 4.12Å; P145-V170 HydrophobicContact CB-CB 4.46Å; P145-V170 HydrophobicContact CB-CG1 3.73Å; P145-V170 HydrophobicContact CB-CG2 3.88Å; Q146-V170 WeakPolarHBondContact O-CG2 3.42Å; Q146-V170 PolarHBondContact O-N 2.92Å; I147-V170 HydrophobicContact CG1-CG2 4.33Å; K168-V170 PolarHBondContact O-N 3.23Å; V170-C239 WeakPolarHBondContact O-CB 3.32Å; V170-P240 WeakPolarHBondContact O-CD 3.37Å; V170-L301 HydrophobicContact CB-CD1 4.35Å; V170-L301 HydrophobicContact CB-CD2 4.5Å; V170-L301 HydrophobicContact CG2-CD1 3.82Å
171	A	98.9	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	163.2	167.8	0	0	0	0	0	112.4	I147 L148 P240 L297 L301	I147-A171 WeakPolarHBondContact CA-O 3.33Å; I147-A171 HydrophobicContact CG1-CB 4.29Å; I147-A171 HydrophobicContact CG2-CB 4.4Å; L148-A171 PolarHBondContact N-O 3.47Å; A171-P240 WeakPolarHBondContact CA-O 3.46Å; A171-P240 HydrophobicContact CB-CB 4.3Å; A171-P240 WeakPolarHBondContact CB-O 3.49Å; A171-L297 HydrophobicContact CB-CD1 4.34Å; A171-L297 HydrophobicContact CB-CD2 3.47Å; A171-L297 VanDerWaalsContact CB-CD2 3.47Å; A171-L297 HydrophobicContact CB-CG 3.83Å; A171-L301 HydrophobicContact CB-CD1 4.04Å
172	L	98.9	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.9	-179.5	-63.4	-176.5	0	0	0	112	L148 M158 L159 A162 V169 V237 P240 I241 R242	L148-L172 HydrophobicContact CB-CD2 3.71Å; L148-L172 HydrophobicContact CD1-CD2 4Å; L148-L172 HydrophobicContact CG-CD2 4.08Å; M158-L172 HydrophobicContact CB-CD2 4.11Å; M158-L172 HydrophobicContact CE-CB 4.02Å; M158-L172 HydrophobicContact CE-CD1 4.4Å; M158-L172 HydrophobicContact CG-CD1 4.36Å; M158-L172 HydrophobicContact CG-CD2 3.99Å; M158-L172 HydrophobicContact SD-CB 4.06Å; M158-L172 HydrophobicContact SD-CD2 4.08Å; L159-L172 HydrophobicContact CD2-CD1 3.91Å; A162-L172 HydrophobicContact CB-CD1 3.89Å; A162-L172 HydrophobicContact CB-CD2 4.15Å; A162-L172 HydrophobicContact CB-CG 4.34Å; V169-L172 HydrophobicContact CG1-CD2 3.67Å; V169-L172 HydrophobicContact CG1-CG 4.41Å; L172-V237 HydrophobicContact CD1-CG1 3.87Å; L172-P240 PolarHBondContact N-O 2.85Å; L172-I241 HydrophobicContact CB-CB 4.45Å; L172-I241 HydrophobicContact CB-CG1 4.23Å; L172-I241 HydrophobicContact CB-CG2 4.1Å; L172-I241 HydrophobicContact CD1-CD1 4.19Å; L172-I241 HydrophobicContact CD1-CG1 4.32Å; L172-I241 CarbonylContact O-C 3.54Å; L172-I241 WeakPolarHBondContact O-CA 3.45Å; L172-R242 PolarHBondContact O-N 3.36Å
173	I	98.9	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	110.5	168.4	-57	172.7	0	0	0	108.7	I147 L148 V149 G150 R242 L244 L290 T293 I294 L297	I147-I173 HydrophobicContact CG2-CD1 4.25Å; I147-I173 HydrophobicContact CG2-CG1 4.42Å; L148-I173 PolarHBondContact O-N 2.68Å; V149-I173 CarbonylContact C-O 3.56Å; V149-I173 VanDerWaalsContact CA-O 3.3Å; V149-I173 WeakPolarHBondContact CA-O 3.43Å; V149-I173 HydrophobicContact CG1-CB 4.4Å; V149-I173 HydrophobicContact CG1-CG2 4.47Å; V149-I173 HydrophobicContact CG2-CB 4.25Å; V149-I173 HydrophobicContact CG2-CD1 4.38Å; G150-I173 PolarHBondContact N-O 2.75Å; I173-R242 CarbonylContact C-O 3.59Å; I173-R242 VanDerWaalsContact CA-O 3.29Å; I173-R242 WeakPolarHBondContact CA-O 3.33Å; I173-R242 HydrophobicContact CG1-CB 4.32Å; I173-L244 HydrophobicContact CG2-CD1 4.37Å; I173-L244 HydrophobicContact CG2-CG 4.43Å; I173-L290 HydrophobicContact CG2-CD1 3.86Å; I173-T293 HydrophobicContact CD1-CG2 4.05Å; I173-T293 HydrophobicContact CG1-CG2 4.27Å; I173-T293 HydrophobicContact CG2-CG2 4.2Å; I173-I294 HydrophobicContact CD1-CB 4.18Å; I173-I294 HydrophobicContact CD1-CG1 3.47Å; I173-I294 VanDerWaalsContact CD1-CG1 3.47Å; I173-L297 HydrophobicContact CD1-CD2 3.81Å; I173-L297 HydrophobicContact CG1-CD2 3.67Å
174	G	98.9	Very high	98.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134	175.8	0	0	0	0	0	111.3	G150 M158 T177 R242 L244	G150-G174 CarbonylContact O-C 3.19Å; G150-G174 WeakPolarHBondContact O-CA 3.47Å; M158-G174 VanDerWaalsContact CE-CA 3.49Å; G174-T177 WeakPolarHBondContact CA-OG1 3.47Å; G174-R242 PolarHBondContact N-O 3.41Å; G174-L244 PolarHBondContact O-N 3Å
175	V	98.9	Very high	97.9	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	110.7	171.9	-175.7	0	0	0	0	108.4	K92 G150 S151 S152 T177 L244 M281 L290	K92-V175 HydrophobicContact CD-CG1 4.19Å; G150-V175 PolarHBondContact O-N 2.76Å; S151-V175 CarbonylContact C-O 3.32Å; S151-V175 WeakPolarHBondContact CA-O 3.01Å; S152-V175 PolarHBondContact N-O 3Å; V175-T177 VanDerWaalsContact C-N 3.29Å; V175-T177 PolarHBondContact O-N 3.47Å; V175-L244 WeakPolarHBondContact CA-O 3.42Å; V175-L244 HydrophobicContact CG2-CD1 4.31Å; V175-M281 HydrophobicContact CG1-CB 3.72Å; V175-M281 HydrophobicContact CG1-CG 4.11Å; V175-M281 HydrophobicContact CG1-SD 3.83Å; V175-L290 HydrophobicContact CG2-CD1 3.81Å; V175-L290 HydrophobicContact CG2-CD2 4.36Å
176	A	98.5	Very high	97.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	52.9	43	-173.7	0	0	0	0	0	113.2	S152 A178 L244 D249	S152-A176 VanDerWaalsContact CA-O 3.29Å; S152-A176 WeakPolarHBondContact CA-O 3.43Å; A176-A178 PolarHBondContact O-N 3.5Å; A176-A178 VanDerWaalsContact O-N 3.14Å; A176-L244 PolarHBondContact N-O 2.82Å; A176-D249 WeakPolarHBondContact CB-OD2 3.27Å
177	T	98.7	Very high	97.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.			trans	-48.4	116.8	-173.9	-62.6	0	0	0	0	113	L159 G174 V175 A179 T256 V260	L159-T177 HydrophobicContact CD1-CG2 4.48Å; G174-T177 WeakPolarHBondContact CA-OG1 3.47Å; V175-T177 VanDerWaalsContact C-N 3.29Å; V175-T177 PolarHBondContact O-N 3.47Å; T177-A179 VanDerWaalsContact C-N 3.34Å; T177-A179 HydrophobicContact CG2-CB 4.19Å; T177-A179 PolarHBondContact O-N 3.37Å; T177-T256 WeakPolarHBondContact O-CG2 3.49Å; T177-V260 HydrophobicContact CG2-CG2 4.21Å
178	A	98.1	Very high	97.7	Very high	10 Å²	10	24 Å²	24	8%	0.083	12%	0.124	C	C	.	.			trans	-95.1	39.5	-174.3	0	0	0	0	0	113.3	S152 A176 D180 T181 V252	S152-A178 VanDerWaalsContact C-CB 3.49Å; S152-A178 PolarHBondContact O-N 3.26Å; A176-A178 PolarHBondContact O-N 3.5Å; A176-A178 VanDerWaalsContact O-N 3.14Å; A178-D180 PolarHBondContact O-N 3.16Å; A178-T181 VanDerWaalsContact C-OG1 3.3Å; A178-T181 WeakPolarHBondContact CA-OG1 3.45Å; A178-T181 PolarHBondContact O-N 3.32Å; A178-T181 PolarHBondContact O-OG1 3.4Å; A178-V252 HydrophobicContact CB-CG2 3.67Å
179	A	98.4	Very high	97.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	123.9	179.2	0	0	0	0	0	110.2	W156 L159 T177 T181 L231 T256 V260	W156-A179 HydrophobicContact CG-CB 4.48Å; L159-A179 HydrophobicContact CD1-CB 4.36Å; T177-A179 VanDerWaalsContact C-N 3.34Å; T177-A179 HydrophobicContact CG2-CB 4.19Å; T177-A179 PolarHBondContact O-N 3.37Å; A179-T181 PolarHBondContact O-N 2.93Å; A179-T181 PolarHBondContact O-OG1 3.25Å; A179-T181 VanDerWaalsContact O-OG1 3.11Å; A179-L231 HydrophobicContact CB-CD1 4.3Å; A179-L231 HydrophobicContact CB-CD2 4.3Å; A179-L231 HydrophobicContact CB-CG 4.28Å; A179-T256 HydrophobicContact CB-CG2 4.42Å; A179-V260 HydrophobicContact CB-CG2 3.62Å
180	D	98.3	Very high	97.5	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.032	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	8.7	177.8	-51.8	6.8	0	0	0	115.2	W156 A178 L182 V183 T184 C229 L230 L231	W156-D180 HydrophobicContact CZ2-CB 4.49Å; W156-D180 WeakPolarHBondContact CZ2-OD1 3.47Å; W156-D180 PolarHBondContact NE1-OD1 3.39Å; A178-D180 PolarHBondContact O-N 3.16Å; D180-L182 PolarHBondContact O-N 2.9Å; D180-V183 PolarHBondContact O-N 3.11Å; D180-T184 VanDerWaalsContact O-CB 3.31Å; D180-T184 WeakPolarHBondContact O-CB 3.42Å; D180-T184 PolarHBondContact O-N 2.93Å; D180-T184 PolarHBondContact O-OG1 2.64Å; D180-C229 HydrophobicContact CB-CB 4.44Å; D180-C229 VanDerWaalsContact OD1-CA 3.25Å; D180-C229 WeakPolarHBondContact OD1-CA 3.4Å; D180-C229 WeakPolarHBondContact OD2-CA 3.24Å; D180-C229 VanDerWaalsContact OD2-CB 3.31Å; D180-C229 WeakPolarHBondContact OD2-CB 3.3Å; D180-L230 VanDerWaalsContact CG-N 3.29Å; D180-L230 PolarHBondContact OD1-N 3.16Å; D180-L230 PolarHBondContact OD2-N 3.11Å; D180-L231 HydrophobicContact CB-CD1 4.1Å; D180-L231 HydrophobicContact CB-CG 4.25Å; D180-L231 VanDerWaalsContact OD2-CB 3.29Å; D180-L231 WeakPolarHBondContact OD2-CB 3.3Å; D180-L231 WeakPolarHBondContact OD2-CG 3.34Å; D180-L231 PolarHBondContact OD2-N 3.29Å
181	T	95.8	Very high	97.4	Very high	11 Å²	11	28.5 Å²	28.5	7%	0.067	16%	0.155	C	C	.	.	H	α-helix	trans	-67.6	-41.9	-162.6	-63	0	0	0	0	111.5	A178 A179 T184 K185 V252	A178-T181 VanDerWaalsContact C-OG1 3.3Å; A178-T181 WeakPolarHBondContact CA-OG1 3.45Å; A178-T181 PolarHBondContact O-N 3.32Å; A178-T181 PolarHBondContact O-OG1 3.4Å; A179-T181 PolarHBondContact O-N 2.93Å; A179-T181 PolarHBondContact O-OG1 3.25Å; A179-T181 VanDerWaalsContact O-OG1 3.11Å; T181-T184 PolarHBondContact O-N 3.04Å; T181-K185 HydrophobicContact CG2-CD 4.16Å; T181-K185 HydrophobicContact CG2-CG 4.38Å; T181-K185 WeakPolarHBondContact O-CB 3.35Å; T181-K185 WeakPolarHBondContact O-CG 3.36Å; T181-K185 PolarHBondContact O-N 3.14Å; T181-V252 HydrophobicContact CG2-CG1 4.3Å; T181-V252 HydrophobicContact CG2-CG2 4.19Å
182	L	94.7	Very high	97.3	Very high	29 Å²	29	35 Å²	35	15%	0.152	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-48.1	178.3	-179.9	69.6	0	0	0	111.5	D180 K185 F186 W203 M205 V217 F221 I222	D180-L182 PolarHBondContact O-N 2.9Å; L182-K185 PolarHBondContact O-N 3.07Å; L182-F186 WeakPolarHBondContact O-CB 3.25Å; L182-F186 PolarHBondContact O-N 3.23Å; L182-W203 HydrophobicContact CD1-CE3 4.11Å; L182-W203 HydrophobicContact CD1-CZ3 3.89Å; L182-M205 HydrophobicContact CD1-CE 4.15Å; L182-V217 HydrophobicContact CD1-CB 4.44Å; L182-V217 HydrophobicContact CD1-CG1 4.01Å; L182-V217 HydrophobicContact CD1-CG2 4.25Å; L182-V217 HydrophobicContact CD2-CG1 3.74Å; L182-V217 HydrophobicContact CG-CG1 4.45Å; L182-F221 HydrophobicContact CD2-CD1 3.56Å; L182-F221 HydrophobicContact CD2-CE1 3.67Å; L182-I222 HydrophobicContact CD1-CG1 4.41Å; L182-I222 HydrophobicContact CD2-CG1 3.94Å; L182-I222 HydrophobicContact CG-CG1 4.09Å
183	V	97.6	Very high	97.2	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-45.5	179.2	175.7	0	0	0	0	110.5	W156 D180 F186 N187 A225 E226	W156-V183 HydrophobicContact CH2-CG2 4.26Å; D180-V183 PolarHBondContact O-N 3.11Å; V183-F186 PolarHBondContact O-N 3.34Å; V183-N187 WeakPolarHBondContact O-CB 3.45Å; V183-N187 PolarHBondContact O-N 2.99Å; V183-N187 PolarHBondContact O-ND2 2.83Å; V183-A225 HydrophobicContact CG2-CB 3.83Å; V183-E226 HydrophobicContact CG1-CG 3.7Å; V183-E226 HydrophobicContact CG2-CG 4.2Å
184	T	96.7	Very high	97.1	Very high	58 Å²	58	41.3 Å²	41.3	36%	0.356	22%	0.216	S	C	.	.	H	α-helix	trans	-60.2	-49.2	178.9	-59.9	0	0	0	0	111.3	D180 T181 N187 Q188	D180-T184 VanDerWaalsContact O-CB 3.31Å; D180-T184 WeakPolarHBondContact O-CB 3.42Å; D180-T184 PolarHBondContact O-N 2.93Å; D180-T184 PolarHBondContact O-OG1 2.64Å; T181-T184 PolarHBondContact O-N 3.04Å; T184-N187 PolarHBondContact O-N 2.94Å; T184-Q188 VanDerWaalsContact O-CG 3.3Å; T184-Q188 WeakPolarHBondContact O-CG 3.41Å; T184-Q188 PolarHBondContact O-N 3.12Å; T184-Q188 VanDerWaalsContact O-N 3.16Å
185	K	95.3	Very high	97	Very high	65 Å²	65	47.4 Å²	47.4	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-63.8	-42.7	178.6	-75.6	-174.4	163	-169.1	0	111.8	T181 L182 N187 Q188 L189 W203 I251	T181-K185 HydrophobicContact CG2-CD 4.16Å; T181-K185 HydrophobicContact CG2-CG 4.38Å; T181-K185 WeakPolarHBondContact O-CB 3.35Å; T181-K185 WeakPolarHBondContact O-CG 3.36Å; T181-K185 PolarHBondContact O-N 3.14Å; L182-K185 PolarHBondContact O-N 3.07Å; K185-N187 VanDerWaalsContact C-N 3.33Å; K185-N187 PolarHBondContact O-N 3.25Å; K185-Q188 PolarHBondContact O-N 3.12Å; K185-L189 PolarHBondContact O-N 3.44Å; K185-W203 HydrophobicContact CB-CH2 3.89Å; K185-W203 HydrophobicContact CB-CZ3 4.46Å; K185-I251 VanDerWaalsContact CE-O 3.3Å; K185-I251 WeakPolarHBondContact CE-O 3.49Å; K185-I251 PolarHBondContact NZ-O 3.07Å
186	F	96.5	Very high	96.9	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.035	26%	0.26	C	S	.	.	H	α-helix	trans	-59.3	-45.3	176.7	-178.5	-101.7	0	0	0	111.4	L182 V183 Q188 L189 K194 V197 W203 Y219 I222	L182-F186 WeakPolarHBondContact O-CB 3.25Å; L182-F186 PolarHBondContact O-N 3.23Å; V183-F186 PolarHBondContact O-N 3.34Å; F186-Q188 VanDerWaalsContact C-N 3.25Å; F186-Q188 PolarHBondContact O-N 2.86Å; F186-L189 HydrophobicContact CD2-CD1 3.79Å; F186-L189 HydrophobicContact CE2-CD1 4.21Å; F186-L189 VanDerWaalsContact O-CB 3.28Å; F186-L189 WeakPolarHBondContact O-CB 3.48Å; F186-L189 WeakPolarHBondContact O-CG 3.47Å; F186-L189 PolarHBondContact O-N 2.67Å; F186-L189 VanDerWaalsContact O-N 3.08Å; F186-K194 HydrophobicContact CE1-CD 4.22Å; F186-K194 HydrophobicContact CE1-CG 4.22Å; F186-K194 HydrophobicContact CE2-CG 4.19Å; F186-K194 HydrophobicContact CZ-CB 4.09Å; F186-K194 HydrophobicContact CZ-CD 4.41Å; F186-K194 HydrophobicContact CZ-CG 3.93Å; F186-K194 WeakPolarHBondContact O-CD 3.41Å; F186-V197 HydrophobicContact CE2-CB 3.98Å; F186-V197 HydrophobicContact CE2-CG1 3.71Å; F186-V197 HydrophobicContact CE2-CG2 4.39Å; F186-V197 HydrophobicContact CZ-CG1 4.4Å; F186-W203 HydrophobicContact CB-CE3 4.36Å; F186-W203 HydrophobicContact CB-CZ3 3.88Å; F186-W203 HydrophobicContact CD2-CD2 4.4Å; F186-W203 HydrophobicContact CD2-CE3 4.03Å; F186-W203 HydrophobicContact CD2-CZ3 4.31Å; F186-Y219 AromaticContact CE1-CE2 3.98Å; F186-Y219 HydrophobicContact CE1-CE2 3.98Å; F186-Y219 HydrophobicContact CE2-CD2 4.41Å; F186-Y219 HydrophobicContact CE2-CE2 4.47Å; F186-Y219 AromaticContact CZ-CD2 3.98Å; F186-Y219 HydrophobicContact CZ-CD2 3.98Å; F186-Y219 AromaticContact CZ-CE2 3.62Å; F186-Y219 HydrophobicContact CZ-CE2 3.62Å; F186-I222 HydrophobicContact CB-CG2 3.87Å; F186-I222 HydrophobicContact CD1-CG2 3.83Å; F186-I222 HydrophobicContact CD2-CD1 3.84Å; F186-I222 HydrophobicContact CD2-CG2 4.39Å; F186-I222 HydrophobicContact CE2-CD1 4.31Å; F186-I222 HydrophobicContact CG-CD1 4.25Å; F186-I222 HydrophobicContact CG-CG2 3.75Å
187	N	96.3	Very high	96.8	Very high	82 Å²	82	51.8 Å²	51.8	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-64.3	-29.9	-179.8	-75.7	-27.9	0	0	0	113.5	V183 T184 K185 L189 K194	V183-N187 WeakPolarHBondContact O-CB 3.45Å; V183-N187 PolarHBondContact O-N 2.99Å; V183-N187 PolarHBondContact O-ND2 2.83Å; T184-N187 PolarHBondContact O-N 2.94Å; K185-N187 VanDerWaalsContact C-N 3.33Å; K185-N187 PolarHBondContact O-N 3.25Å; N187-L189 VanDerWaalsContact C-N 3.3Å; N187-K194 PolarHBondContact O-NZ 3.26Å; N187-K194 VanDerWaalsContact O-NZ 3.11Å
188	Q	96	Very high	96.7	Very high	146 Å²	146	57 Å²	57	68%	0.682	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.8	176.3	-70.8	171.5	-6	0	0	114	T184 K185 F186	T184-Q188 VanDerWaalsContact O-CG 3.3Å; T184-Q188 WeakPolarHBondContact O-CG 3.41Å; T184-Q188 PolarHBondContact O-N 3.12Å; T184-Q188 VanDerWaalsContact O-N 3.16Å; K185-Q188 PolarHBondContact O-N 3.12Å; F186-Q188 VanDerWaalsContact C-N 3.25Å; F186-Q188 PolarHBondContact O-N 2.86Å
189	L	96	Very high	96.7	Very high	31 Å²	31	64.6 Å²	64.6	16%	0.162	32%	0.323	C	S	.	.	S	Bend	trans	-64.8	149.4	176.4	-67	176.7	0	0	0	111.7	K185 F186 N187 K194 W203	K185-L189 PolarHBondContact O-N 3.44Å; F186-L189 HydrophobicContact CD2-CD1 3.79Å; F186-L189 HydrophobicContact CE2-CD1 4.21Å; F186-L189 VanDerWaalsContact O-CB 3.28Å; F186-L189 WeakPolarHBondContact O-CB 3.48Å; F186-L189 WeakPolarHBondContact O-CG 3.47Å; F186-L189 PolarHBondContact O-N 2.67Å; F186-L189 VanDerWaalsContact O-N 3.08Å; N187-L189 VanDerWaalsContact C-N 3.3Å; L189-K194 HydrophobicContact CB-CD 4.38Å; L189-K194 HydrophobicContact CB-CG 3.77Å; L189-K194 HydrophobicContact CD1-CG 4.46Å; L189-K194 WeakPolarHBondContact O-CE 3.44Å; L189-K194 PolarHBondContact O-NZ 2.74Å; L189-W203 HydrophobicContact CD1-CD2 4.28Å; L189-W203 HydrophobicContact CD1-CH2 4.17Å; L189-W203 HydrophobicContact CD1-CZ2 3.67Å; L189-W203 HydrophobicContact CD2-CZ2 3.9Å; L189-W203 HydrophobicContact CG-CH2 4.48Å; L189-W203 HydrophobicContact CG-CZ2 4.1Å
190	P	97.4	Very high	96.6	Very high	68 Å²	68	71.1 Å²	71.1	44%	0.442	35%	0.352	S	S	.	.			trans	-49.5	146.8	164.6	-25.1	33.1	0	0	0	112	E192 L193 K194	P190-E192 PolarHBondContact O-N 2.99Å; P190-L193 HydrophobicContact CB-CG 4.49Å; P190-L193 HydrophobicContact CG-CD1 4.23Å; P190-L193 PolarHBondContact O-N 3.22Å; P190-K194 PolarHBondContact O-N 3.22Å
191	V	97.2	Very high	96.5	Very high	76 Å²	76	72 Å²	72	46%	0.461	36%	0.362	S	S	.	.	H	α-helix	trans	-60.3	-35.4	-176.6	174.6	0	0	0	0	111.2	K194 K195	V191-K194 PolarHBondContact O-N 3.1Å; V191-K195 HydrophobicContact CG1-CD 4.38Å; V191-K195 WeakPolarHBondContact O-CG 3.46Å; V191-K195 PolarHBondContact O-N 3.36Å
192	E	96.9	Very high	96.5	Very high	135 Å²	135	73.2 Å²	73.2	63%	0.631	37%	0.369	S	S	*	.	H	α-helix	trans	-63.6	-46.1	179	-59.9	68.6	-146.7	0	0	110.9	P190 K195 E196	P190-E192 PolarHBondContact O-N 2.99Å; E192-K195 PolarHBondContact O-N 2.91Å; E192-E196 PolarHBondContact O-N 3.08Å
193	L	95.4	Very high	96.5	Very high	78 Å²	78	73.3 Å²	73.3	41%	0.408	37%	0.368	S	S	.	.	H	α-helix	trans	-68.1	-37	177.4	-68.8	-174.7	0	0	0	112	P190 E196 V197	P190-L193 HydrophobicContact CB-CG 4.49Å; P190-L193 HydrophobicContact CG-CD1 4.23Å; P190-L193 PolarHBondContact O-N 3.22Å; L193-E196 WeakPolarHBondContact CD2-OE2 3.45Å; L193-E196 PolarHBondContact O-N 2.71Å; L193-V197 WeakPolarHBondContact O-CG2 3.32Å; L193-V197 PolarHBondContact O-N 2.74Å
194	K	96.8	Very high	96.3	Very high	56 Å²	56	76.1 Å²	76.1	24%	0.243	39%	0.388	C	S	.	.	H	α-helix	trans	-61.4	-44.7	174.3	-71.4	-173.6	-72.4	-158.3	0	111.7	F186 N187 L189 P190 V191 E196 V197 E198	F186-K194 HydrophobicContact CE1-CD 4.22Å; F186-K194 HydrophobicContact CE1-CG 4.22Å; F186-K194 HydrophobicContact CE2-CG 4.19Å; F186-K194 HydrophobicContact CZ-CB 4.09Å; F186-K194 HydrophobicContact CZ-CD 4.41Å; F186-K194 HydrophobicContact CZ-CG 3.93Å; F186-K194 WeakPolarHBondContact O-CD 3.41Å; N187-K194 PolarHBondContact O-NZ 3.26Å; N187-K194 VanDerWaalsContact O-NZ 3.11Å; L189-K194 HydrophobicContact CB-CD 4.38Å; L189-K194 HydrophobicContact CB-CG 3.77Å; L189-K194 HydrophobicContact CD1-CG 4.46Å; L189-K194 WeakPolarHBondContact O-CE 3.44Å; L189-K194 PolarHBondContact O-NZ 2.74Å; P190-K194 PolarHBondContact O-N 3.22Å; V191-K194 PolarHBondContact O-N 3.1Å; K194-E196 VanDerWaalsContact C-N 3.33Å; K194-V197 PolarHBondContact O-N 3.34Å; K194-E198 WeakPolarHBondContact O-CB 3.35Å; K194-E198 PolarHBondContact O-N 3.23Å
195	K	96.8	Very high	96	Very high	127 Å²	127	75.4 Å²	75.4	55%	0.552	38%	0.381	S	S	*	.	H	α-helix	trans	-62.5	-40.4	175.4	-74.7	177.9	178.4	-179.7	0	111.9	V191 E192 E198 M199	V191-K195 HydrophobicContact CG1-CD 4.38Å; V191-K195 WeakPolarHBondContact O-CG 3.46Å; V191-K195 PolarHBondContact O-N 3.36Å; E192-K195 PolarHBondContact O-N 2.91Å; K195-E198 PolarHBondContact O-N 2.98Å; K195-M199 WeakPolarHBondContact O-CB 3.48Å; K195-M199 VanDerWaalsContact O-CG 3.3Å; K195-M199 WeakPolarHBondContact O-CG 3.29Å; K195-M199 PolarHBondContact O-N 2.83Å
196	E	97	Very high	95.7	Very high	84 Å²	84	77.9 Å²	77.9	39%	0.393	40%	0.404	S	S	.	.	H	α-helix	trans	-61.1	-47.4	175.9	-175.5	-175.1	166.9	0	0	111.6	E192 L193 K194 M199 K200	E192-E196 PolarHBondContact O-N 3.08Å; L193-E196 WeakPolarHBondContact CD2-OE2 3.45Å; L193-E196 PolarHBondContact O-N 2.71Å; K194-E196 VanDerWaalsContact C-N 3.33Å; E196-M199 PolarHBondContact O-N 2.76Å; E196-K200 HydrophobicContact CG-CD 3.97Å; E196-K200 WeakPolarHBondContact O-CB 3.42Å; E196-K200 WeakPolarHBondContact O-CG 3.21Å; E196-K200 PolarHBondContact O-N 2.79Å; E196-K200 WeakPolarHBondContact OE1-CE 3.46Å; E196-K200 IonicContact OE1-NZ 2.62Å; E196-K200 PolarHBondContact OE1-NZ 3.4Å
197	V	97.1	Very high	95.2	Very high	10 Å²	10	78 Å²	78	6%	0.061	41%	0.405	C	S	.	.	H	α-helix	trans	-61.7	-44	176.6	169.8	0	0	0	0	111.4	F186 L193 K194 K200 G201 V202 W203 Y219	F186-V197 HydrophobicContact CE2-CB 3.98Å; F186-V197 HydrophobicContact CE2-CG1 3.71Å; F186-V197 HydrophobicContact CE2-CG2 4.39Å; F186-V197 HydrophobicContact CZ-CG1 4.4Å; L193-V197 WeakPolarHBondContact O-CG2 3.32Å; L193-V197 PolarHBondContact O-N 2.74Å; K194-V197 PolarHBondContact O-N 3.34Å; V197-K200 PolarHBondContact O-N 3.16Å; V197-G201 WeakPolarHBondContact O-CA 3.37Å; V197-G201 PolarHBondContact O-N 2.83Å; V197-V202 PolarHBondContact O-N 2.76Å; V197-W203 HydrophobicContact CG1-CB 3.75Å; V197-W203 HydrophobicContact CG1-CG 4.48Å; V197-W203 HydrophobicContact CG2-CB 3.89Å; V197-W203 HydrophobicContact CG2-CG 3.89Å; V197-Y219 HydrophobicContact CG1-CD2 4.01Å; V197-Y219 HydrophobicContact CG1-CG 4.4Å
198	E	96.6	Very high	94.9	Very high	110 Å²	110	80.4 Å²	80.4	51%	0.514	41%	0.412	S	S	.	.	H	α-helix	trans	-60.9	-44.8	177.5	174.7	168.4	-146.5	0	0	111.7	K194 K195 G201 Y219	K194-E198 WeakPolarHBondContact O-CB 3.35Å; K194-E198 PolarHBondContact O-N 3.23Å; K195-E198 PolarHBondContact O-N 2.98Å; E198-G201 PolarHBondContact O-N 2.87Å; E198-Y219 HydrophobicContact CB-CD1 4.44Å; E198-Y219 HydrophobicContact CB-CE1 3.96Å; E198-Y219 HydrophobicContact CB-CE2 4.37Å; E198-Y219 HydrophobicContact CG-CD1 4.43Å; E198-Y219 HydrophobicContact CG-CE1 3.7Å; E198-Y219 PolarHBondContact OE1-OH 3.17Å
199	M	96.9	Very high	94.3	Very high	169 Å²	169	75.3 Å²	75.3	83%	0.833	39%	0.387	S	S	*	.	H	α-helix	trans	-66.9	-40.1	177.2	-74	-179.5	61.1	0	0	112.9	K195 E196 G201	K195-M199 WeakPolarHBondContact O-CB 3.48Å; K195-M199 VanDerWaalsContact O-CG 3.3Å; K195-M199 WeakPolarHBondContact O-CG 3.29Å; K195-M199 PolarHBondContact O-N 2.83Å; E196-M199 PolarHBondContact O-N 2.76Å; M199-G201 VanDerWaalsContact C-N 3.34Å
200	K	96.6	Very high	93.7	Very high	137 Å²	137	75.2 Å²	75.2	60%	0.596	39%	0.389	S	S	*	.	H	α-helix	trans	-78.4	-19.5	179.6	-71.7	-178.8	176.9	179.4	0	113	E196 V197 V202	E196-K200 HydrophobicContact CG-CD 3.97Å; E196-K200 WeakPolarHBondContact O-CB 3.42Å; E196-K200 WeakPolarHBondContact O-CG 3.21Å; E196-K200 PolarHBondContact O-N 2.79Å; E196-K200 WeakPolarHBondContact OE1-CE 3.46Å; E196-K200 IonicContact OE1-NZ 2.62Å; E196-K200 PolarHBondContact OE1-NZ 3.4Å; V197-K200 PolarHBondContact O-N 3.16Å; K200-V202 HydrophobicContact CB-CG1 4.36Å; K200-V202 PolarHBondContact O-N 3.23Å
201	G	96.6	Very high	93	Very high	25 Å²	25	81.8 Å²	81.8	26%	0.258	41%	0.413	S	S	.	.	S	Bend	trans	74.3	-0.2	-174.3	0	0	0	0	0	114.6	V197 E198 M199 Q218 Y219	V197-G201 WeakPolarHBondContact O-CA 3.37Å; V197-G201 PolarHBondContact O-N 2.83Å; E198-G201 PolarHBondContact O-N 2.87Å; M199-G201 VanDerWaalsContact C-N 3.34Å; G201-Q218 PolarHBondContact O-OE1 2.93Å; G201-Y219 WeakPolarHBondContact O-CB 3.47Å; G201-Y219 PolarHBondContact O-N 3.35Å
202	V	95.8	Very high	92.5	Very high	36 Å²	36	85.7 Å²	85.7	22%	0.218	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	139.2	-174.6	64.6	0	0	0	0	111.4	V197 K200 N216	V197-V202 PolarHBondContact O-N 2.76Å; K200-V202 HydrophobicContact CB-CG1 4.36Å; K200-V202 PolarHBondContact O-N 3.23Å; V202-N216 HydrophobicContact CG2-CB 3.84Å
203	W	95.3	Very high	92.1	Very high	32 Å²	32	80.9 Å²	80.9	12%	0.121	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	111.7	171	-172.4	19.1	0	0	0	110.4	L182 K185 F186 L189 V197 M205 V217 I222	L182-W203 HydrophobicContact CD1-CE3 4.11Å; L182-W203 HydrophobicContact CD1-CZ3 3.89Å; K185-W203 HydrophobicContact CB-CH2 3.89Å; K185-W203 HydrophobicContact CB-CZ3 4.46Å; F186-W203 HydrophobicContact CB-CE3 4.36Å; F186-W203 HydrophobicContact CB-CZ3 3.88Å; F186-W203 HydrophobicContact CD2-CD2 4.4Å; F186-W203 HydrophobicContact CD2-CE3 4.03Å; F186-W203 HydrophobicContact CD2-CZ3 4.31Å; L189-W203 HydrophobicContact CD1-CD2 4.28Å; L189-W203 HydrophobicContact CD1-CH2 4.17Å; L189-W203 HydrophobicContact CD1-CZ2 3.67Å; L189-W203 HydrophobicContact CD2-CZ2 3.9Å; L189-W203 HydrophobicContact CG-CH2 4.48Å; L189-W203 HydrophobicContact CG-CZ2 4.1Å; V197-W203 HydrophobicContact CG1-CB 3.75Å; V197-W203 HydrophobicContact CG1-CG 4.48Å; V197-W203 HydrophobicContact CG2-CB 3.89Å; V197-W203 HydrophobicContact CG2-CG 3.89Å; W203-M205 HydrophobicContact CD2-CE 4.5Å; W203-M205 HydrophobicContact CD2-CG 3.84Å; W203-M205 HydrophobicContact CD2-SD 3.97Å; W203-M205 HydrophobicContact CE3-CE 4.25Å; W203-M205 HydrophobicContact CE3-CG 4.38Å; W203-M205 HydrophobicContact CE3-SD 3.9Å; W203-M205 HydrophobicContact CG-CG 4.21Å; W203-M205 HydrophobicContact CH2-CG 4.38Å; W203-M205 HydrophobicContact CH2-SD 3.68Å; W203-M205 HydrophobicContact CZ2-CG 3.8Å; W203-M205 HydrophobicContact CZ2-SD 3.71Å; W203-M205 HydrophobicContact CZ3-CE 4.5Å; W203-M205 HydrophobicContact CZ3-SD 3.78Å; W203-V217 PolarHBondContact N-O 2.75Å; W203-V217 PolarHBondContact O-N 3.21Å; W203-I222 HydrophobicContact CB-CD1 4.13Å; W203-I222 HydrophobicContact CE3-CD1 3.77Å
204	S	93.6	Very high	91.8	Very high	65 Å²	65	79.4 Å²	79.4	46%	0.455	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	115.3	175.8	-59.7	0	0	0	0	110.4	N216	S204-N216 WeakPolarHBondContact CB-OD1 3.2Å; S204-N216 PolarHBondContact OG-OD1 3.39Å
205	M	89.7	Confident	91.3	Very high	43 Å²	43	80.1 Å²	80.1	21%	0.212	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.2	179.8	-67.3	178.5	-75.6	0	0	110.6	L182 W203 S207 V214 Y215 V217	L182-M205 HydrophobicContact CD1-CE 4.15Å; W203-M205 HydrophobicContact CD2-CE 4.5Å; W203-M205 HydrophobicContact CD2-CG 3.84Å; W203-M205 HydrophobicContact CD2-SD 3.97Å; W203-M205 HydrophobicContact CE3-CE 4.25Å; W203-M205 HydrophobicContact CE3-CG 4.38Å; W203-M205 HydrophobicContact CE3-SD 3.9Å; W203-M205 HydrophobicContact CG-CG 4.21Å; W203-M205 HydrophobicContact CH2-CG 4.38Å; W203-M205 HydrophobicContact CH2-SD 3.68Å; W203-M205 HydrophobicContact CZ2-CG 3.8Å; W203-M205 HydrophobicContact CZ2-SD 3.71Å; W203-M205 HydrophobicContact CZ3-CE 4.5Å; W203-M205 HydrophobicContact CZ3-SD 3.78Å; M205-S207 PolarHBondContact O-N 3.18Å; M205-V214 CarbonylContact O-C 3.58Å; M205-V214 VanDerWaalsContact O-CA 3.32Å; M205-V214 WeakPolarHBondContact O-CA 3.1Å; M205-Y215 PolarHBondContact N-O 3.43Å; M205-Y215 PolarHBondContact O-N 3.07Å; M205-V217 HydrophobicContact CE-CB 4.22Å; M205-V217 HydrophobicContact CE-CG2 3.36Å
206	P	89.3	Confident	91.1	Very high	118 Å²	118	77.4 Å²	77.4	77%	0.766	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.2	136	171.3	-23.8	33.8	0	0	0	111.2
207	S	86.6	Confident	90.8	Very high	10 Å²	10	73.6 Å²	73.6	7%	0.07	38%	0.383	C	S	.	.			trans	-149.1	126.6	-178.2	178.1	0	0	0	0	111.4	M205 Y209 G213 Y215	M205-S207 PolarHBondContact O-N 3.18Å; S207-Y209 PolarHBondContact O-N 3.49Å; S207-Y209 PolarHBondContact OG-N 3.38Å; S207-Y209 VanDerWaalsContact OG-N 3.1Å; S207-G213 PolarHBondContact N-O 2.92Å; S207-G213 CarbonylContact O-C 3.57Å; S207-G213 VanDerWaalsContact O-CA 3.26Å; S207-G213 WeakPolarHBondContact O-CA 3.21Å; S207-Y215 WeakPolarHBondContact OG-CD2 3.01Å; S207-Y215 WeakPolarHBondContact OG-CE2 3.41Å
208	K	88.9	Confident	90.7	Very high	133 Å²	133	76.2 Å²	76.2	58%	0.578	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-3.9	170.4	71.8	-173.2	-173.1	-159.2	0	113.6	D250	K208-D250 WeakPolarHBondContact CE-OD2 3.15Å; K208-D250 IonicContact NZ-OD1 2.75Å; K208-D250 IonicContact NZ-OD2 3.34Å; K208-D250 PolarHBondContact NZ-OD2 2.91Å
209	Y	83.6	Confident	90.7	Very high	39 Å²	39	73.1 Å²	73.1	15%	0.153	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-7.4	-176.7	-51.4	-74.5	0	0	0	113.2	S207 Y215 D250 I251 H279 Q280	S207-Y209 PolarHBondContact O-N 3.49Å; S207-Y209 PolarHBondContact OG-N 3.38Å; S207-Y209 VanDerWaalsContact OG-N 3.1Å; Y209-Y215 PolarHBondContact O-OH 2.82Å; Y209-D250 WeakPolarHBondContact CE2-OD1 2.94Å; Y209-D250 PolarHBondContact OH-OD1 3.26Å; Y209-I251 HydrophobicContact CD2-CD1 3.89Å; Y209-I251 HydrophobicContact CD2-CG1 3.86Å; Y209-I251 HydrophobicContact CE2-CD1 3.71Å; Y209-I251 HydrophobicContact CE2-CG1 3.42Å; Y209-I251 VanDerWaalsContact CE2-CG1 3.42Å; Y209-H279 HydrophobicContact CE2-CB 4.13Å; Y209-H279 WeakPolarHBondContact OH-CB 3.24Å; Y209-H279 PolarHBondContact OH-N 3.33Å; Y209-Q280 HydrophobicContact CD1-CG 3.71Å; Y209-Q280 HydrophobicContact CE1-CG 3.71Å
210	S	84.6	Confident	90.6	Very high	28 Å²	28	68.5 Å²	68.5	20%	0.196	36%	0.363	C	S	.	.	S	Bend	trans	-99.4	140.2	173.3	178.3	0	0	0	0	109.6	E212 G213 V214	S210-E212 PolarHBondContact O-N 3.3Å; S210-E212 PolarHBondContact OG-N 3.19Å; S210-G213 PolarHBondContact O-N 3.29Å; S210-V214 WeakPolarHBondContact CB-O 3.18Å; S210-V214 PolarHBondContact OG-O 2.86Å
211	E	82.6	Confident	90.6	Very high	206 Å²	206	62.2 Å²	62.2	96%	0.963	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.8	174.4	-66.1	-174.5	176.3	0	0	111.6	G213	E211-G213 PolarHBondContact O-N 3.41Å
212	E	85.2	Confident	90.6	Very high	159 Å²	159	61 Å²	61	74%	0.743	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.4	176.3	-60.3	-177.7	174.6	0	0	112.8	S210 V214	S210-E212 PolarHBondContact O-N 3.3Å; S210-E212 PolarHBondContact OG-N 3.19Å; E212-V214 PolarHBondContact O-N 3.44Å
213	G	88.6	Confident	90.7	Very high	33 Å²	33	63 Å²	63	34%	0.34	33%	0.329	S	S	.	.	S	Bend	trans	72.2	3.5	-177.2	0	0	0	0	0	114.5	S207 S210 E211	S207-G213 PolarHBondContact N-O 2.92Å; S207-G213 CarbonylContact O-C 3.57Å; S207-G213 VanDerWaalsContact O-CA 3.26Å; S207-G213 WeakPolarHBondContact O-CA 3.21Å; S210-G213 PolarHBondContact O-N 3.29Å; E211-G213 PolarHBondContact O-N 3.41Å
214	V	88.8	Confident	90.8	Very high	48 Å²	48	63.7 Å²	63.7	29%	0.291	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.8	-176.6	-179.9	0	0	0	0	110	M205 S210 E212	M205-V214 CarbonylContact O-C 3.58Å; M205-V214 VanDerWaalsContact O-CA 3.32Å; M205-V214 WeakPolarHBondContact O-CA 3.1Å; S210-V214 WeakPolarHBondContact CB-O 3.18Å; S210-V214 PolarHBondContact OG-O 2.86Å; E212-V214 PolarHBondContact O-N 3.44Å
215	Y	87.8	Confident	91	Very high	71 Å²	71	60.6 Å²	60.6	28%	0.278	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.9	162.6	-81.5	-53.1	0	0	0	109.9	M205 S207 Y209	M205-Y215 PolarHBondContact N-O 3.43Å; M205-Y215 PolarHBondContact O-N 3.07Å; S207-Y215 WeakPolarHBondContact OG-CD2 3.01Å; S207-Y215 WeakPolarHBondContact OG-CE2 3.41Å; Y209-Y215 PolarHBondContact O-OH 2.82Å
216	N	91.1	Very high	91.4	Very high	70 Å²	70	61.3 Å²	61.3	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.1	174.5	-66.7	-48.2	0	0	0	109.2	Y84 V202 S204	Y84-N216 PolarHBondContact OH-O 3.16Å; V202-N216 HydrophobicContact CG2-CB 3.84Å; S204-N216 WeakPolarHBondContact CB-OD1 3.2Å; S204-N216 PolarHBondContact OG-OD1 3.39Å
217	V	92.6	Very high	91.8	Very high	4 Å²	4	63 Å²	63	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.6	175.7	-177.3	0	0	0	0	108.8	Y84 L182 W203 M205 Y219 F221 I222	Y84-V217 HydrophobicContact CE1-CG2 4.2Å; L182-V217 HydrophobicContact CD1-CB 4.44Å; L182-V217 HydrophobicContact CD1-CG1 4.01Å; L182-V217 HydrophobicContact CD1-CG2 4.25Å; L182-V217 HydrophobicContact CD2-CG1 3.74Å; L182-V217 HydrophobicContact CG-CG1 4.45Å; W203-V217 PolarHBondContact N-O 2.75Å; W203-V217 PolarHBondContact O-N 3.21Å; M205-V217 HydrophobicContact CE-CB 4.22Å; M205-V217 HydrophobicContact CE-CG2 3.36Å; V217-Y219 PolarHBondContact O-N 3.06Å; V217-F221 HydrophobicContact CG1-CB 4.43Å; V217-F221 HydrophobicContact CG1-CD1 4.23Å; V217-I222 HydrophobicContact CG1-CD1 4.28Å; V217-I222 HydrophobicContact CG1-CG1 3.87Å
218	Q	94.6	Very high	92.4	Very high	65 Å²	65	63.7 Å²	63.7	30%	0.304	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	136.2	179.3	-60.3	-60.8	-16.9	0	0	110.5	G201 S220 F221 I222	G201-Q218 PolarHBondContact O-OE1 2.93Å; Q218-S220 PolarHBondContact O-N 3.05Å; Q218-F221 HydrophobicContact CB-CB 4.28Å; Q218-F221 VanDerWaalsContact O-CB 3.27Å; Q218-F221 WeakPolarHBondContact O-CB 3.46Å; Q218-F221 PolarHBondContact O-N 3.06Å; Q218-I222 PolarHBondContact O-N 3.39Å
219	Y	95.9	Very high	92.9	Very high	44 Å²	44	58.2 Å²	58.2	17%	0.173	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-37.8	177.3	176.2	-121.5	0	0	0	111.2	F186 V197 E198 G201 V217 F221 I222 K223	F186-Y219 AromaticContact CE1-CE2 3.98Å; F186-Y219 HydrophobicContact CE1-CE2 3.98Å; F186-Y219 HydrophobicContact CE2-CD2 4.41Å; F186-Y219 HydrophobicContact CE2-CE2 4.47Å; F186-Y219 AromaticContact CZ-CD2 3.98Å; F186-Y219 HydrophobicContact CZ-CD2 3.98Å; F186-Y219 AromaticContact CZ-CE2 3.62Å; F186-Y219 HydrophobicContact CZ-CE2 3.62Å; V197-Y219 HydrophobicContact CG1-CD2 4.01Å; V197-Y219 HydrophobicContact CG1-CG 4.4Å; E198-Y219 HydrophobicContact CB-CD1 4.44Å; E198-Y219 HydrophobicContact CB-CE1 3.96Å; E198-Y219 HydrophobicContact CB-CE2 4.37Å; E198-Y219 HydrophobicContact CG-CD1 4.43Å; E198-Y219 HydrophobicContact CG-CE1 3.7Å; E198-Y219 PolarHBondContact OE1-OH 3.17Å; G201-Y219 WeakPolarHBondContact O-CB 3.47Å; G201-Y219 PolarHBondContact O-N 3.35Å; V217-Y219 PolarHBondContact O-N 3.06Å; Y219-F221 VanDerWaalsContact C-N 3.28Å; Y219-F221 PolarHBondContact O-N 3.46Å; Y219-I222 WeakPolarHBondContact O-CB 3.29Å; Y219-I222 PolarHBondContact O-N 2.81Å; Y219-I222 VanDerWaalsContact O-N 3.11Å; Y219-K223 HydrophobicContact CD1-CG 4.37Å; Y219-K223 HydrophobicContact CD2-CG 4.19Å; Y219-K223 HydrophobicContact CE1-CD 4.47Å; Y219-K223 HydrophobicContact CE1-CG 3.97Å; Y219-K223 HydrophobicContact CE2-CD 3.7Å; Y219-K223 HydrophobicContact CE2-CG 3.75Å; Y219-K223 HydrophobicContact CG-CG 4.48Å; Y219-K223 WeakPolarHBondContact O-CG 3.47Å; Y219-K223 PolarHBondContact O-N 3.34Å
220	S	95.6	Very high	93.6	Very high	73 Å²	73	57.2 Å²	57.2	51%	0.51	29%	0.289	S	S	.	.	H	α-helix	trans	-57.4	-38.9	173.2	56.4	0	0	0	0	112.7	Q218 E224	Q218-S220 PolarHBondContact O-N 3.05Å; S220-E224 WeakPolarHBondContact O-CB 3.36Å; S220-E224 PolarHBondContact O-N 3.44Å
221	F	96.4	Very high	94.2	Very high	4 Å²	4	57 Å²	57	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-45.5	174.9	-174.2	-75.9	0	0	0	110.9	Y84 S125 L127 W130 L182 V217 Q218 Y219 E224 A225	Y84-F221 HydrophobicContact CD2-CZ 4.45Å; Y84-F221 HydrophobicContact CE2-CE2 4.23Å; Y84-F221 HydrophobicContact CE2-CZ 4.18Å; S125-F221 WeakPolarHBondContact O-CD2 3.45Å; L127-F221 HydrophobicContact CB-CE1 4.45Å; L127-F221 HydrophobicContact CB-CZ 4.06Å; L127-F221 HydrophobicContact CD1-CZ 4.24Å; W130-F221 AromaticContact CE3-CE2 3.91Å; W130-F221 HydrophobicContact CE3-CE2 3.91Å; W130-F221 HydrophobicContact CE3-CZ 4.1Å; W130-F221 HydrophobicContact CH2-CE2 4.09Å; W130-F221 AromaticContact CZ3-CE2 3.56Å; W130-F221 HydrophobicContact CZ3-CE2 3.56Å; W130-F221 AromaticContact CZ3-CZ 3.77Å; W130-F221 HydrophobicContact CZ3-CZ 3.77Å; L182-F221 HydrophobicContact CD2-CD1 3.56Å; L182-F221 HydrophobicContact CD2-CE1 3.67Å; V217-F221 HydrophobicContact CG1-CB 4.43Å; V217-F221 HydrophobicContact CG1-CD1 4.23Å; Q218-F221 HydrophobicContact CB-CB 4.28Å; Q218-F221 VanDerWaalsContact O-CB 3.27Å; Q218-F221 WeakPolarHBondContact O-CB 3.46Å; Q218-F221 PolarHBondContact O-N 3.06Å; Y219-F221 VanDerWaalsContact C-N 3.28Å; Y219-F221 PolarHBondContact O-N 3.46Å; F221-E224 PolarHBondContact O-N 3.46Å; F221-A225 HydrophobicContact CD1-CB 4.46Å; F221-A225 HydrophobicContact CE1-CB 4.35Å; F221-A225 VanDerWaalsContact O-CB 3.26Å; F221-A225 WeakPolarHBondContact O-CB 3.31Å; F221-A225 PolarHBondContact O-N 2.83Å
222	I	96.8	Very high	94.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-47.9	-180	-58.6	169	0	0	0	110.2	L182 F186 W203 V217 Q218 Y219 E224 A225 E226	L182-I222 HydrophobicContact CD1-CG1 4.41Å; L182-I222 HydrophobicContact CD2-CG1 3.94Å; L182-I222 HydrophobicContact CG-CG1 4.09Å; F186-I222 HydrophobicContact CB-CG2 3.87Å; F186-I222 HydrophobicContact CD1-CG2 3.83Å; F186-I222 HydrophobicContact CD2-CD1 3.84Å; F186-I222 HydrophobicContact CD2-CG2 4.39Å; F186-I222 HydrophobicContact CE2-CD1 4.31Å; F186-I222 HydrophobicContact CG-CD1 4.25Å; F186-I222 HydrophobicContact CG-CG2 3.75Å; W203-I222 HydrophobicContact CB-CD1 4.13Å; W203-I222 HydrophobicContact CE3-CD1 3.77Å; V217-I222 HydrophobicContact CG1-CD1 4.28Å; V217-I222 HydrophobicContact CG1-CG1 3.87Å; Q218-I222 PolarHBondContact O-N 3.39Å; Y219-I222 WeakPolarHBondContact O-CB 3.29Å; Y219-I222 PolarHBondContact O-N 2.81Å; Y219-I222 VanDerWaalsContact O-N 3.11Å; I222-E224 VanDerWaalsContact C-N 3.34Å; I222-E224 PolarHBondContact O-N 3.25Å; I222-A225 PolarHBondContact O-N 3.14Å; I222-E226 PolarHBondContact O-N 3.34Å
223	K	97.4	Very high	95.4	Very high	77 Å²	77	48.3 Å²	48.3	34%	0.335	25%	0.25	S	S	.	.	H	α-helix	trans	-63.6	-38.1	178.5	-67.4	-52.5	-54.6	172.8	0	112.5	Y219 E226 H227	Y219-K223 HydrophobicContact CD1-CG 4.37Å; Y219-K223 HydrophobicContact CD2-CG 4.19Å; Y219-K223 HydrophobicContact CE1-CD 4.47Å; Y219-K223 HydrophobicContact CE1-CG 3.97Å; Y219-K223 HydrophobicContact CE2-CD 3.7Å; Y219-K223 HydrophobicContact CE2-CG 3.75Å; Y219-K223 HydrophobicContact CG-CG 4.48Å; Y219-K223 WeakPolarHBondContact O-CG 3.47Å; Y219-K223 PolarHBondContact O-N 3.34Å; K223-E226 WeakPolarHBondContact CE-OE1 3.29Å; K223-E226 WeakPolarHBondContact CE-OE2 3.31Å; K223-E226 IonicContact NZ-OE1 2.79Å; K223-E226 PolarHBondContact NZ-OE1 3.41Å; K223-E226 IonicContact NZ-OE2 3.5Å; K223-E226 PolarHBondContact NZ-OE2 2.91Å; K223-H227 PolarHBondContact O-CE1 3.38Å; K223-H227 PolarHBondContact O-ND1 3.02Å
224	E	98	Very high	95.8	Very high	47 Å²	47	50.9 Å²	50.9	22%	0.22	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-41.7	175.6	-164.1	-85.1	169.4	0	0	111.3	T126 L127 G128 S220 F221 I222 E226 H227 H228	T126-E224 VanDerWaalsContact CB-CD 3.49Å; T126-E224 VanDerWaalsContact CB-OE2 3.28Å; T126-E224 WeakPolarHBondContact CB-OE2 3.3Å; T126-E224 HydrophobicContact CG2-CB 4.36Å; T126-E224 HydrophobicContact CG2-CG 4.06Å; T126-E224 PolarHBondContact OG1-OE1 3.08Å; T126-E224 PolarHBondContact OG1-OE2 2.95Å; L127-E224 PolarHBondContact N-OE2 3.3Å; G128-E224 VanDerWaalsContact CA-OE1 3.29Å; G128-E224 WeakPolarHBondContact CA-OE1 3.35Å; G128-E224 PolarHBondContact N-OE1 3.26Å; G128-E224 PolarHBondContact N-OE2 3.01Å; S220-E224 WeakPolarHBondContact O-CB 3.36Å; S220-E224 PolarHBondContact O-N 3.44Å; F221-E224 PolarHBondContact O-N 3.46Å; I222-E224 VanDerWaalsContact C-N 3.34Å; I222-E224 PolarHBondContact O-N 3.25Å; E224-E226 PolarHBondContact O-N 3.34Å; E224-H227 PolarHBondContact O-N 2.92Å; E224-H227 VanDerWaalsContact O-N 3.15Å; E224-H227 PolarHBondContact O-ND1 3.39Å; E224-H228 VanDerWaalsContact CD-NE2 3.35Å; E224-H228 PolarHBondContact O-CD2 3.11Å; E224-H228 IonicContact OE1-CD2 2.94Å; E224-H228 IonicContact OE1-CE1 3.79Å; E224-H228 IonicContact OE1-NE2 3.72Å; E224-H228 PolarHBondContact OE1-NE2 3.28Å; E224-H228 IonicContact OE2-CD2 3.59Å; E224-H228 IonicContact OE2-NE2 3.77Å; E224-H228 PolarHBondContact OE2-NE2 2.9Å
225	A	98.1	Very high	96.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-22.9	-179.9	0	0	0	0	0	114.1	L127 W156 V183 F221 I222 H227 H228	L127-A225 HydrophobicContact CB-CB 4.18Å; L127-A225 HydrophobicContact CD2-CB 4.32Å; W156-A225 HydrophobicContact CH2-CB 4.03Å; W156-A225 HydrophobicContact CZ3-CB 4.42Å; V183-A225 HydrophobicContact CG2-CB 3.83Å; F221-A225 HydrophobicContact CD1-CB 4.46Å; F221-A225 HydrophobicContact CE1-CB 4.35Å; F221-A225 VanDerWaalsContact O-CB 3.26Å; F221-A225 WeakPolarHBondContact O-CB 3.31Å; F221-A225 PolarHBondContact O-N 2.83Å; I222-A225 PolarHBondContact O-N 3.14Å; A225-H227 PolarHBondContact O-N 3.35Å; A225-H228 PolarHBondContact O-N 2.86Å; A225-H228 VanDerWaalsContact O-N 3.09Å
226	E	97.7	Very high	96.8	Very high	59 Å²	59	48.4 Å²	48.4	28%	0.276	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-55.6	-35.6	173.6	-73.4	174.8	-171.6	0	0	112.5	V183 I222 K223 E224 H228 C229	V183-E226 HydrophobicContact CG1-CG 3.7Å; V183-E226 HydrophobicContact CG2-CG 4.2Å; I222-E226 PolarHBondContact O-N 3.34Å; K223-E226 WeakPolarHBondContact CE-OE1 3.29Å; K223-E226 WeakPolarHBondContact CE-OE2 3.31Å; K223-E226 IonicContact NZ-OE1 2.79Å; K223-E226 PolarHBondContact NZ-OE1 3.41Å; K223-E226 IonicContact NZ-OE2 3.5Å; K223-E226 PolarHBondContact NZ-OE2 2.91Å; E224-E226 PolarHBondContact O-N 3.34Å; E226-H228 PolarHBondContact O-N 2.72Å; E226-H228 VanDerWaalsContact O-N 3.14Å; E226-C229 PolarHBondContact O-N 3.25Å
227	H	98.1	Very high	97.2	Very high	153 Å²	153	45.2 Å²	45.2	71%	0.708	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-71.6	-6.3	-179	-55.2	91.5	0	0	0	113.9	K223 E224 A225	K223-H227 PolarHBondContact O-CE1 3.38Å; K223-H227 PolarHBondContact O-ND1 3.02Å; E224-H227 PolarHBondContact O-N 2.92Å; E224-H227 VanDerWaalsContact O-N 3.15Å; E224-H227 PolarHBondContact O-ND1 3.39Å; A225-H227 PolarHBondContact O-N 3.35Å
228	H	98.4	Very high	97.5	Very high	25 Å²	25	50.6 Å²	50.6	12%	0.116	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-120.5	10.1	-174.8	-57.2	-83.7	0	0	0	112.3	L127 G128 W156 H160 E224 A225 E226	L127-H228 HydrophobicContact CD2-CB 3.32Å; G128-H228 VanDerWaalsContact CA-CE1 3.43Å; G128-H228 WeakPolarHBondContact CA-CE1 3.25Å; G128-H228 WeakPolarHBondContact CA-NE2 3.35Å; G128-H228 PolarHBondContact N-NE2 3.4Å; W156-H228 HydrophobicContact CZ2-CB 4.25Å; W156-H228 VanDerWaalsContact CZ2-O 3.31Å; W156-H228 WeakPolarHBondContact CZ2-O 3.46Å; W156-H228 PolarHBondContact NE1-O 2.91Å; H160-H228 PolarHBondContact CE1-O 2.85Å; H160-H228 PolarHBondContact NE2-O 2.83Å; E224-H228 VanDerWaalsContact CD-NE2 3.35Å; E224-H228 PolarHBondContact O-CD2 3.11Å; E224-H228 IonicContact OE1-CD2 2.94Å; E224-H228 IonicContact OE1-CE1 3.79Å; E224-H228 IonicContact OE1-NE2 3.72Å; E224-H228 PolarHBondContact OE1-NE2 3.28Å; E224-H228 IonicContact OE2-CD2 3.59Å; E224-H228 IonicContact OE2-NE2 3.77Å; E224-H228 PolarHBondContact OE2-NE2 2.9Å; A225-H228 PolarHBondContact O-N 2.86Å; A225-H228 VanDerWaalsContact O-N 3.09Å; E226-H228 PolarHBondContact O-N 2.72Å; E226-H228 VanDerWaalsContact O-N 3.14Å
229	C	98.6	Very high	97.6	Very high	18 Å²	18	48.5 Å²	48.5	12%	0.122	26%	0.259	C	S	.	.			trans	-62.1	143.5	175.2	-69.8	0	0	0	0	110.8	D180 E226 H232	D180-C229 HydrophobicContact CB-CB 4.44Å; D180-C229 VanDerWaalsContact OD1-CA 3.25Å; D180-C229 WeakPolarHBondContact OD1-CA 3.4Å; D180-C229 WeakPolarHBondContact OD2-CA 3.24Å; D180-C229 VanDerWaalsContact OD2-CB 3.31Å; D180-C229 WeakPolarHBondContact OD2-CB 3.3Å; E226-C229 PolarHBondContact O-N 3.25Å; C229-H232 PolarHBondContact O-NE2 2.95Å; C229-H232 VanDerWaalsContact O-NE2 3.11Å
230	L	98.4	Very high	97.8	Very high	17 Å²	17	47.5 Å²	47.5	9%	0.089	26%	0.258	C	S	.	.			trans	-122.5	-24.6	-175.4	-67.7	179.7	0	0	0	112.6	L159 I163 D180 H232 S233 I235	L159-L230 HydrophobicContact CB-CD1 3.67Å; L159-L230 HydrophobicContact CD1-CD1 4.11Å; I163-L230 HydrophobicContact CD1-CD1 4.49Å; I163-L230 HydrophobicContact CD1-CD2 4.06Å; D180-L230 VanDerWaalsContact CG-N 3.29Å; D180-L230 PolarHBondContact OD1-N 3.16Å; D180-L230 PolarHBondContact OD2-N 3.11Å; L230-H232 PolarHBondContact O-N 3.34Å; L230-H232 VanDerWaalsContact O-N 3.16Å; L230-S233 PolarHBondContact O-N 3.45Å; L230-S233 VanDerWaalsContact O-O 3.12Å; L230-I235 HydrophobicContact CB-CD1 3.98Å; L230-I235 HydrophobicContact CB-CG1 4.09Å
231	L	98	Very high	97.9	Very high	23 Å²	23	44 Å²	44	12%	0.12	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	4.1	-172.4	-59.8	-177.6	0	0	0	113.6	A179 D180 I235 T256 Q259 V260 R263	A179-L231 HydrophobicContact CB-CD1 4.3Å; A179-L231 HydrophobicContact CB-CD2 4.3Å; A179-L231 HydrophobicContact CB-CG 4.28Å; D180-L231 HydrophobicContact CB-CD1 4.1Å; D180-L231 HydrophobicContact CB-CG 4.25Å; D180-L231 VanDerWaalsContact OD2-CB 3.29Å; D180-L231 WeakPolarHBondContact OD2-CB 3.3Å; D180-L231 WeakPolarHBondContact OD2-CG 3.34Å; D180-L231 PolarHBondContact OD2-N 3.29Å; L231-I235 HydrophobicContact CD2-CD1 4.3Å; L231-T256 HydrophobicContact CD1-CG2 4.48Å; L231-Q259 HydrophobicContact CD1-CB 4.4Å; L231-Q259 HydrophobicContact CD2-CB 4.28Å; L231-V260 HydrophobicContact CD2-CG2 3.92Å; L231-R263 PolarHBondContact O-NH1 2.67Å; L231-R263 PolarHBondContact O-NH2 2.81Å
232	H	96.1	Very high	98.1	Very high	137 Å²	137	45 Å²	45	63%	0.634	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-8.2	173.8	58	63.2	0	0	0	113.9	C229 L230	C229-H232 PolarHBondContact O-NE2 2.95Å; C229-H232 VanDerWaalsContact O-NE2 3.11Å; L230-H232 PolarHBondContact O-N 3.34Å; L230-H232 VanDerWaalsContact O-N 3.16Å
233	S	96.2	Very high	98.2	Very high	46 Å²	46	45 Å²	45	32%	0.322	24%	0.237	S	C	.	.	S	Bend	trans	-143.2	172.8	-179.7	50.4	0	0	0	0	111.2	L230 R263	L230-S233 PolarHBondContact O-N 3.45Å; L230-S233 VanDerWaalsContact O-O 3.12Å; S233-R263 PolarHBondContact O-NH1 2.82Å
234	P	98.4	Very high	98.2	Very high	88 Å²	88	41.5 Å²	41.5	57%	0.571	22%	0.222	S	C	*	.			trans	-58.8	142.6	164.9	-23.6	34.9	0	0	0	111.3	R263 L265	P234-R263 CarbonylContact C-O 3.51Å; P234-R263 WeakPolarHBondContact CA-O 3.36Å; P234-L265 HydrophobicContact CB-CD2 3.93Å
235	I	98.8	Very high	98.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-101	110.2	-179.5	-58.6	176.2	0	0	0	107.3	L159 I163 L230 L231 V237 R263 V264 L265	L159-I235 HydrophobicContact CD2-CG2 4.47Å; I163-I235 HydrophobicContact CD1-CG2 4.12Å; L230-I235 HydrophobicContact CB-CD1 3.98Å; L230-I235 HydrophobicContact CB-CG1 4.09Å; L231-I235 HydrophobicContact CD2-CD1 4.3Å; I235-V237 HydrophobicContact CG2-CB 4.47Å; I235-V237 HydrophobicContact CG2-CG2 3.92Å; I235-V237 PolarHBondContact O-N 3.47Å; I235-R263 HydrophobicContact CD1-CB 3.88Å; I235-R263 HydrophobicContact CG1-CB 3.89Å; I235-R263 PolarHBondContact N-O 3.32Å; I235-V264 HydrophobicContact CB-CG1 3.92Å; I235-V264 HydrophobicContact CD1-CG1 4.32Å; I235-V264 HydrophobicContact CG2-CG1 3.94Å; I235-V264 WeakPolarHBondContact O-CA 3.38Å; I235-L265 PolarHBondContact O-N 3.24Å
236	P	98.5	Very high	98.3	Very high	66 Å²	66	39.2 Å²	39.2	43%	0.429	21%	0.211	S	C	.	.			trans	-78.5	59.9	-170.8	32.3	-35.2	0	0	0	112.7	I163 L265	I163-P236 HydrophobicContact CD1-CG 4.3Å; I163-P236 HydrophobicContact CG1-CG 4.01Å; I163-P236 HydrophobicContact CG2-CG 4.09Å; P236-L265 HydrophobicContact CB-CD1 4.15Å
237	V	98.8	Very high	98.3	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.024	22%	0.215	C	C	.	.			trans	-115	123.8	174.3	176.6	0	0	0	0	108	A162 I163 L172 I235 I241 L265 S266	A162-V237 HydrophobicContact CB-CG1 3.99Å; A162-V237 HydrophobicContact CB-CG2 3.78Å; I163-V237 HydrophobicContact CG1-CG2 3.73Å; L172-V237 HydrophobicContact CD1-CG1 3.87Å; I235-V237 HydrophobicContact CG2-CB 4.47Å; I235-V237 HydrophobicContact CG2-CG2 3.92Å; I235-V237 PolarHBondContact O-N 3.47Å; V237-I241 HydrophobicContact CB-CD1 4.42Å; V237-I241 HydrophobicContact CG1-CD1 3.8Å; V237-I241 HydrophobicContact CG1-CG1 4.44Å; V237-L265 PolarHBondContact O-N 3.09Å; V237-S266 WeakPolarHBondContact O-CB 3.45Å; V237-S266 PolarHBondContact O-N 2.69Å
238	N	98.1	Very high	98.3	Very high	116 Å²	116	38.9 Å²	38.9	62%	0.62	21%	0.209	S	C	*	.			trans	-111.1	-12.5	-175.3	-64	-71.3	0	0	0	113.7	S266	N238-S266 PolarHBondContact O-OG 2.71Å
239	C	98.5	Very high	98.3	Very high	22 Å²	22	38.5 Å²	38.5	15%	0.149	21%	0.208	C	C	.	.	S	Bend	trans	-71.8	162.6	179.6	62.3	0	0	0	0	111.7	V170 I241 S266	V170-C239 WeakPolarHBondContact O-CB 3.32Å; C239-I241 VanDerWaalsContact O-CG1 3.31Å; C239-I241 WeakPolarHBondContact O-CG1 3.47Å; C239-S266 VanDerWaalsContact O-CB 3.28Å; C239-S266 WeakPolarHBondContact O-CB 3.43Å; C239-S266 PolarHBondContact O-OG 2.97Å
240	P	98.8	Very high	98.1	Very high	23 Å²	23	41.4 Å²	41.4	15%	0.149	22%	0.222	C	C	.	.			trans	-56.3	137.4	174.1	-28.4	37.1	0	0	0	112.9	V170 A171 L172 D268 L297 L301	V170-P240 WeakPolarHBondContact O-CD 3.37Å; A171-P240 WeakPolarHBondContact CA-O 3.46Å; A171-P240 HydrophobicContact CB-CB 4.3Å; A171-P240 WeakPolarHBondContact CB-O 3.49Å; L172-P240 PolarHBondContact N-O 2.85Å; P240-D268 WeakPolarHBondContact CA-O 3.32Å; P240-D268 HydrophobicContact CB-CB 4.43Å; P240-D268 VanDerWaalsContact CB-OD2 3.32Å; P240-D268 WeakPolarHBondContact CB-OD2 3.36Å; P240-D268 VanDerWaalsContact CG-OD2 3.29Å; P240-D268 WeakPolarHBondContact CG-OD2 3.36Å; P240-L297 HydrophobicContact CB-CD1 3.96Å; P240-L301 HydrophobicContact CG-CD2 4.47Å
241	I	98.9	Very high	97.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.1	-178.9	-48.8	-175.9	0	0	0	110.4	L172 V237 C239 L243 V264 D268 V269 D270	L172-I241 HydrophobicContact CB-CB 4.45Å; L172-I241 HydrophobicContact CB-CG1 4.23Å; L172-I241 HydrophobicContact CB-CG2 4.1Å; L172-I241 HydrophobicContact CD1-CD1 4.19Å; L172-I241 HydrophobicContact CD1-CG1 4.32Å; L172-I241 CarbonylContact O-C 3.54Å; L172-I241 WeakPolarHBondContact O-CA 3.45Å; V237-I241 HydrophobicContact CB-CD1 4.42Å; V237-I241 HydrophobicContact CG1-CD1 3.8Å; V237-I241 HydrophobicContact CG1-CG1 4.44Å; C239-I241 VanDerWaalsContact O-CG1 3.31Å; C239-I241 WeakPolarHBondContact O-CG1 3.47Å; I241-L243 HydrophobicContact CG2-CD2 3.8Å; I241-L243 HydrophobicContact CG2-CG 3.9Å; I241-V264 HydrophobicContact CD1-CB 3.95Å; I241-V264 HydrophobicContact CD1-CG1 3.69Å; I241-V264 HydrophobicContact CD1-CG2 4.02Å; I241-D268 PolarHBondContact N-O 3.26Å; I241-V269 HydrophobicContact CB-CG1 4.23Å; I241-V269 HydrophobicContact CB-CG2 4.27Å; I241-V269 HydrophobicContact CD1-CG2 4.47Å; I241-V269 HydrophobicContact CG1-CG2 4.46Å; I241-V269 WeakPolarHBondContact O-CA 3.16Å; I241-D270 PolarHBondContact O-N 3.38Å
242	R	98.9	Very high	97.8	Very high	25 Å²	25	41.8 Å²	41.8	9%	0.094	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.3	171.1	-55.8	-62.5	176.9	-100.3	24	109.4	L172 I173 G174 D268 D270 T293 L297	L172-R242 PolarHBondContact O-N 3.36Å; I173-R242 CarbonylContact C-O 3.59Å; I173-R242 VanDerWaalsContact CA-O 3.29Å; I173-R242 WeakPolarHBondContact CA-O 3.33Å; I173-R242 HydrophobicContact CG1-CB 4.32Å; G174-R242 PolarHBondContact N-O 3.41Å; R242-D268 IonicContact CZ-OD1 2.73Å; R242-D268 PolarHBondContact NH1-O 3.18Å; R242-D268 VanDerWaalsContact NH1-O 3.17Å; R242-D268 IonicContact NH1-OD1 3.3Å; R242-D268 PolarHBondContact NH1-OD1 3.24Å; R242-D268 IonicContact NH2-OD1 3.56Å; R242-D268 PolarHBondContact NH2-OD1 3.05Å; R242-D270 WeakPolarHBondContact CA-O 3.42Å; R242-D270 WeakPolarHBondContact CD-OD2 3.34Å; R242-D270 IonicContact CZ-OD2 3.83Å; R242-D270 IonicContact NE-OD2 2.69Å; R242-D270 PolarHBondContact NE-OD2 3.29Å; R242-D270 IonicContact NH1-OD2 3.47Å; R242-D270 IonicContact NH2-OD2 3.16Å; R242-D270 PolarHBondContact NH2-OD2 2.98Å; R242-T293 HydrophobicContact CB-CG2 3.57Å; R242-T293 HydrophobicContact CG-CG2 3.76Å; R242-L297 HydrophobicContact CG-CD1 4.34Å; R242-L297 HydrophobicContact CG-CD2 4.4Å
243	L	98.9	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	103.5	-177.7	-61.1	177.5	0	0	0	110.1	M158 I241 S257 V260 A261 D270 V271 I272	M158-L243 HydrophobicContact CE-CD2 4.26Å; I241-L243 HydrophobicContact CG2-CD2 3.8Å; I241-L243 HydrophobicContact CG2-CG 3.9Å; L243-S257 WeakPolarHBondContact CD1-O 3.2Å; L243-V260 HydrophobicContact CD1-CB 3.96Å; L243-V260 HydrophobicContact CD1-CG1 3.85Å; L243-A261 HydrophobicContact CD1-CB 4.16Å; L243-D270 PolarHBondContact N-O 2.95Å; L243-V271 HydrophobicContact CB-CG2 4.36Å; L243-V271 HydrophobicContact CD1-CG2 4.32Å; L243-V271 CarbonylContact O-C 3.58Å; L243-V271 WeakPolarHBondContact O-CA 3.33Å; L243-I272 PolarHBondContact O-N 3.3Å
244	L	98.9	Very high	97.9	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.2	176.5	-45.4	-173.8	0	0	0	109.3	I173 G174 V175 A176 I272 M281 L289 L290 T293	I173-L244 HydrophobicContact CG2-CD1 4.37Å; I173-L244 HydrophobicContact CG2-CG 4.43Å; G174-L244 PolarHBondContact O-N 3Å; V175-L244 WeakPolarHBondContact CA-O 3.42Å; V175-L244 HydrophobicContact CG2-CD1 4.31Å; A176-L244 PolarHBondContact N-O 2.82Å; L244-I272 HydrophobicContact CD2-CB 3.72Å; L244-I272 HydrophobicContact CD2-CD1 3.36Å; L244-I272 HydrophobicContact CD2-CG1 4.08Å; L244-I272 HydrophobicContact CD2-CG2 4.21Å; L244-M281 HydrophobicContact CB-CE 4.14Å; L244-M281 HydrophobicContact CB-SD 4.27Å; L244-L289 HydrophobicContact CD1-CD2 4.29Å; L244-L289 HydrophobicContact CD1-CG 4.13Å; L244-L289 HydrophobicContact CD2-CD2 4.24Å; L244-L289 HydrophobicContact CD2-CG 4.35Å; L244-L290 HydrophobicContact CD1-CB 4.28Å; L244-L290 HydrophobicContact CD1-CD1 3.96Å; L244-T293 HydrophobicContact CD2-CG2 4.29Å
245	H	98.9	Very high	97.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	134.5	180	-140.8	121.6	0	0	0	113.1	D249 V252 W254 S257 I272 L273 R274	H245-D249 IonicContact CD2-OD2 3.36Å; H245-D249 IonicContact NE2-OD2 2.74Å; H245-D249 PolarHBondContact NE2-OD2 2.8Å; H245-V252 PolarHBondContact NE2-O 3.45Å; H245-W254 HydrophobicContact CB-CB 4.22Å; H245-W254 VanDerWaalsContact CD2-CA 3.46Å; H245-W254 WeakPolarHBondContact CD2-CA 3.41Å; H245-W254 WeakPolarHBondContact NE2-CA 3.27Å; H245-S257 PolarHBondContact ND1-OG 3.41Å; H245-I272 PolarHBondContact N-O 3.27Å; H245-L273 HydrophobicContact CB-CD2 3.92Å; H245-L273 CarbonylContact O-C 3.52Å; H245-L273 WeakPolarHBondContact O-CA 3.5Å; H245-R274 PolarHBondContact O-N 3.47Å
246	G	98.7	Very high	97.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.8	171.3	0	0	0	0	0	112.5	K248 D249 S277 M281	G246-K248 PolarHBondContact O-N 3.08Å; G246-D249 WeakPolarHBondContact O-CB 3.29Å; G246-D249 PolarHBondContact O-N 3.09Å; G246-S277 CarbonylContact C-O 3.55Å; G246-S277 WeakPolarHBondContact CA-O 3.35Å; G246-M281 PolarHBondContact N-SD 3.14Å
247	M	98.6	Very high	97.9	Very high	73 Å²	73	36.4 Å²	36.4	36%	0.36	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.2	177.1	-63.1	179.9	73.2	0	0	113.3	W254 L273 R274 K275	M247-W254 HydrophobicContact CE-CZ2 4.26Å; M247-W254 HydrophobicContact CG-CG 4.44Å; M247-L273 HydrophobicContact CG-CB 4.1Å; M247-L273 HydrophobicContact SD-CB 4.22Å; M247-R274 PolarHBondContact N-O 3.18Å; M247-K275 HydrophobicContact SD-CB 4.4Å
248	K	97.8	Very high	97.9	Very high	132 Å²	132	40.7 Å²	40.7	57%	0.574	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	14.8	171.8	-61	-62.4	-174.3	179.6	0	112.3	G246 D250 S277	G246-K248 PolarHBondContact O-N 3.08Å; K248-D250 PolarHBondContact O-N 3.32Å; K248-S277 WeakPolarHBondContact CA-O 3.08Å; K248-S277 WeakPolarHBondContact CB-O 3.41Å; K248-S277 PolarHBondContact N-O 3.37Å
249	D	97.2	Very high	97.9	Very high	17 Å²	17	40 Å²	40	9%	0.091	20%	0.197	C	C	.	.			trans	-63.2	119.5	170.7	-167.6	-25	0	0	0	110.1	A176 H245 G246 I251 V252 H279	A176-D249 WeakPolarHBondContact CB-OD2 3.27Å; H245-D249 IonicContact CD2-OD2 3.36Å; H245-D249 IonicContact NE2-OD2 2.74Å; H245-D249 PolarHBondContact NE2-OD2 2.8Å; G246-D249 WeakPolarHBondContact O-CB 3.29Å; G246-D249 PolarHBondContact O-N 3.09Å; D249-I251 WeakPolarHBondContact OD1-CA 3.37Å; D249-I251 PolarHBondContact OD1-N 2.95Å; D249-V252 VanDerWaalsContact CB-O 3.26Å; D249-V252 WeakPolarHBondContact CB-O 3.31Å; D249-V252 PolarHBondContact OD1-N 3.34Å; D249-H279 VanDerWaalsContact CG-CA 3.5Å; D249-H279 VanDerWaalsContact CG-ND1 3.31Å; D249-H279 VanDerWaalsContact OD1-CB 3.28Å; D249-H279 WeakPolarHBondContact OD1-CB 3.38Å; D249-H279 IonicContact OD1-CG 3.21Å; D249-H279 IonicContact OD1-ND1 3.69Å; D249-H279 PolarHBondContact OD1-ND1 2.67Å; D249-H279 VanDerWaalsContact OD1-ND1 3.16Å; D249-H279 WeakPolarHBondContact OD2-CA 3.26Å; D249-H279 IonicContact OD2-CE1 3.65Å; D249-H279 IonicContact OD2-CG 3.5Å; D249-H279 IonicContact OD2-ND1 2.92Å; D249-H279 PolarHBondContact OD2-ND1 3.36Å
250	D	94.1	Very high	97.9	Very high	79 Å²	79	39 Å²	39	42%	0.422	19%	0.19	S	C	.	.	S	Bend	trans	-100.8	-4.6	179	52.5	-7.1	0	0	0	112.8	K208 Y209 K248	K208-D250 WeakPolarHBondContact CE-OD2 3.15Å; K208-D250 IonicContact NZ-OD1 2.75Å; K208-D250 IonicContact NZ-OD2 3.34Å; K208-D250 PolarHBondContact NZ-OD2 2.91Å; Y209-D250 WeakPolarHBondContact CE2-OD1 2.94Å; Y209-D250 PolarHBondContact OH-OD1 3.26Å; K248-D250 PolarHBondContact O-N 3.32Å
251	I	93.8	Very high	97.9	Very high	46 Å²	46	39 Å²	39	24%	0.236	19%	0.193	C	C	.	.	S	Bend	trans	-102	-45.4	179.1	-54.7	-57.1	0	0	0	110.8	K185 Y209 D249 H279	K185-I251 VanDerWaalsContact CE-O 3.3Å; K185-I251 WeakPolarHBondContact CE-O 3.49Å; K185-I251 PolarHBondContact NZ-O 3.07Å; Y209-I251 HydrophobicContact CD2-CD1 3.89Å; Y209-I251 HydrophobicContact CD2-CG1 3.86Å; Y209-I251 HydrophobicContact CE2-CD1 3.71Å; Y209-I251 HydrophobicContact CE2-CG1 3.42Å; Y209-I251 VanDerWaalsContact CE2-CG1 3.42Å; D249-I251 WeakPolarHBondContact OD1-CA 3.37Å; D249-I251 PolarHBondContact OD1-N 2.95Å; I251-H279 HydrophobicContact CB-CB 4.15Å; I251-H279 HydrophobicContact CG1-CB 3.92Å
252	V	96.5	Very high	97.9	Very high	1 Å²	1	45 Å²	45	1%	0.006	22%	0.224	C	C	.	.	S	Bend	trans	-122.3	119	178	-175	0	0	0	0	107.9	A178 T181 H245 D249 W254 T256 H279	A178-V252 HydrophobicContact CB-CG2 3.67Å; T181-V252 HydrophobicContact CG2-CG1 4.3Å; T181-V252 HydrophobicContact CG2-CG2 4.19Å; H245-V252 PolarHBondContact NE2-O 3.45Å; D249-V252 VanDerWaalsContact CB-O 3.26Å; D249-V252 WeakPolarHBondContact CB-O 3.31Å; D249-V252 PolarHBondContact OD1-N 3.34Å; V252-W254 PolarHBondContact O-N 3.32Å; V252-T256 HydrophobicContact CG1-CG2 4.15Å; V252-H279 VanDerWaalsContact CG2-CE1 3.48Å; V252-H279 WeakPolarHBondContact CG2-CE1 3.37Å
253	P	97.1	Very high	97.9	Very high	59 Å²	59	47.8 Å²	47.8	38%	0.383	24%	0.235	S	C	.	.			trans	-59.8	130.8	173.1	-22.6	34	0	0	0	110.3	H255 T256	P253-H255 PolarHBondContact O-N 2.94Å; P253-T256 VanDerWaalsContact O-CB 3.25Å; P253-T256 WeakPolarHBondContact O-CB 3.14Å; P253-T256 PolarHBondContact O-N 3.1Å; P253-T256 PolarHBondContact O-OG1 3.46Å; P253-T256 VanDerWaalsContact O-OG1 3.11Å
254	W	98.2	Very high	97.9	Very high	61 Å²	61	48.3 Å²	48.3	23%	0.231	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.5	-179.4	62.8	-93.7	0	0	0	114.5	H245 M247 V252 T256 S257 M258 L273	H245-W254 HydrophobicContact CB-CB 4.22Å; H245-W254 VanDerWaalsContact CD2-CA 3.46Å; H245-W254 WeakPolarHBondContact CD2-CA 3.41Å; H245-W254 WeakPolarHBondContact NE2-CA 3.27Å; M247-W254 HydrophobicContact CE-CZ2 4.26Å; M247-W254 HydrophobicContact CG-CG 4.44Å; V252-W254 PolarHBondContact O-N 3.32Å; W254-T256 PolarHBondContact O-N 2.91Å; W254-S257 PolarHBondContact O-N 3.21Å; W254-S257 VanDerWaalsContact O-N 3.13Å; W254-M258 HydrophobicContact CE3-SD 4.06Å; W254-M258 HydrophobicContact CH2-SD 4.21Å; W254-M258 HydrophobicContact CZ3-CG 4.32Å; W254-M258 HydrophobicContact CZ3-SD 3.36Å; W254-M258 WeakPolarHBondContact CZ3-SD 3.21Å; W254-L273 HydrophobicContact CB-CD2 4.23Å; W254-L273 HydrophobicContact CD2-CD1 4.4Å; W254-L273 HydrophobicContact CD2-CD2 4.45Å; W254-L273 HydrophobicContact CE3-CD1 3.49Å; W254-L273 VanDerWaalsContact CE3-CD1 3.49Å; W254-L273 HydrophobicContact CE3-CD2 3.8Å; W254-L273 HydrophobicContact CE3-CG 4.31Å; W254-L273 HydrophobicContact CH2-CD1 4.39Å; W254-L273 HydrophobicContact CZ3-CD1 3.46Å; W254-L273 VanDerWaalsContact CZ3-CD1 3.46Å
255	H	98.1	Very high	97.9	Very high	95 Å²	95	52.5 Å²	52.5	44%	0.44	26%	0.26	S	S	.	.	H	α-helix	trans	-58.9	-26.8	171	-60.3	88.5	0	0	0	113	P253 S257 M258 Q259	P253-H255 PolarHBondContact O-N 2.94Å; H255-S257 PolarHBondContact O-N 3.02Å; H255-M258 WeakPolarHBondContact O-CA 3.41Å; H255-M258 WeakPolarHBondContact O-CB 3.37Å; H255-M258 PolarHBondContact O-N 2.8Å; H255-Q259 WeakPolarHBondContact O-CG 3.31Å; H255-Q259 PolarHBondContact O-N 3.03Å
256	T	98.5	Very high	97.9	Very high	9 Å²	9	53 Å²	53	6%	0.055	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-38.3	174.6	-60	0	0	0	0	111.1	T177 A179 L231 V252 P253 W254 M258 Q259 V260	T177-T256 WeakPolarHBondContact O-CG2 3.49Å; A179-T256 HydrophobicContact CB-CG2 4.42Å; L231-T256 HydrophobicContact CD1-CG2 4.48Å; V252-T256 HydrophobicContact CG1-CG2 4.15Å; P253-T256 VanDerWaalsContact O-CB 3.25Å; P253-T256 WeakPolarHBondContact O-CB 3.14Å; P253-T256 PolarHBondContact O-N 3.1Å; P253-T256 PolarHBondContact O-OG1 3.46Å; P253-T256 VanDerWaalsContact O-OG1 3.11Å; W254-T256 PolarHBondContact O-N 2.91Å; T256-M258 VanDerWaalsContact C-N 3.33Å; T256-M258 PolarHBondContact O-N 2.83Å; T256-Q259 PolarHBondContact O-N 3.14Å; T256-V260 WeakPolarHBondContact O-CG2 3.5Å; T256-V260 PolarHBondContact O-N 3.18Å
257	S	98.8	Very high	97.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-34.7	174	-78.3	0	0	0	0	112.8	L243 H245 W254 H255 V260 A261	L243-S257 WeakPolarHBondContact CD1-O 3.2Å; H245-S257 PolarHBondContact ND1-OG 3.41Å; W254-S257 PolarHBondContact O-N 3.21Å; W254-S257 VanDerWaalsContact O-N 3.13Å; H255-S257 PolarHBondContact O-N 3.02Å; S257-V260 PolarHBondContact O-N 2.81Å; S257-A261 WeakPolarHBondContact O-CB 3.36Å; S257-A261 PolarHBondContact O-N 2.75Å
258	M	98.4	Very high	97.8	Very high	95 Å²	95	58.3 Å²	58.3	47%	0.468	30%	0.299	S	S	.	.	H	α-helix	trans	-67.6	-40.4	173.6	-60.7	-179.6	70.3	0	0	111.6	W254 H255 T256 V260 A261 D262	W254-M258 HydrophobicContact CE3-SD 4.06Å; W254-M258 HydrophobicContact CH2-SD 4.21Å; W254-M258 HydrophobicContact CZ3-CG 4.32Å; W254-M258 HydrophobicContact CZ3-SD 3.36Å; W254-M258 WeakPolarHBondContact CZ3-SD 3.21Å; H255-M258 WeakPolarHBondContact O-CA 3.41Å; H255-M258 WeakPolarHBondContact O-CB 3.37Å; H255-M258 PolarHBondContact O-N 2.8Å; T256-M258 VanDerWaalsContact C-N 3.33Å; T256-M258 PolarHBondContact O-N 2.83Å; M258-V260 VanDerWaalsContact C-N 3.33Å; M258-V260 PolarHBondContact O-N 3.43Å; M258-A261 PolarHBondContact O-N 3.49Å; M258-D262 WeakPolarHBondContact O-CB 3.35Å; M258-D262 PolarHBondContact O-N 2.71Å
259	Q	98.6	Very high	97.9	Very high	101 Å²	101	53.6 Å²	53.6	47%	0.472	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-42.2	175.4	-69	174.9	-36.6	0	0	111.2	L231 H255 T256 D262 R263	L231-Q259 HydrophobicContact CD1-CB 4.4Å; L231-Q259 HydrophobicContact CD2-CB 4.28Å; H255-Q259 WeakPolarHBondContact O-CG 3.31Å; H255-Q259 PolarHBondContact O-N 3.03Å; T256-Q259 PolarHBondContact O-N 3.14Å; Q259-D262 PolarHBondContact O-N 3.3Å; Q259-R263 VanDerWaalsContact O-CG 3.27Å; Q259-R263 WeakPolarHBondContact O-CG 3.44Å; Q259-R263 PolarHBondContact O-N 2.78Å; Q259-R263 VanDerWaalsContact O-N 3.15Å
260	V	98.8	Very high	98	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-47.9	173.4	173.3	0	0	0	0	110.4	L159 T177 A179 L231 L243 T256 S257 M258 D262 R263 V264	L159-V260 HydrophobicContact CD1-CG1 3.96Å; L159-V260 HydrophobicContact CD1-CG2 4.35Å; L159-V260 HydrophobicContact CD2-CG1 4.19Å; T177-V260 HydrophobicContact CG2-CG2 4.21Å; A179-V260 HydrophobicContact CB-CG2 3.62Å; L231-V260 HydrophobicContact CD2-CG2 3.92Å; L243-V260 HydrophobicContact CD1-CB 3.96Å; L243-V260 HydrophobicContact CD1-CG1 3.85Å; T256-V260 WeakPolarHBondContact O-CG2 3.5Å; T256-V260 PolarHBondContact O-N 3.18Å; S257-V260 PolarHBondContact O-N 2.81Å; M258-V260 VanDerWaalsContact C-N 3.33Å; M258-V260 PolarHBondContact O-N 3.43Å; V260-D262 VanDerWaalsContact C-N 3.3Å; V260-D262 PolarHBondContact O-N 3.2Å; V260-R263 PolarHBondContact O-N 2.98Å; V260-R263 VanDerWaalsContact O-N 3.14Å; V260-V264 HydrophobicContact CG1-CG1 4.19Å; V260-V264 WeakPolarHBondContact O-CG1 3.42Å; V260-V264 WeakPolarHBondContact O-CG2 3.28Å; V260-V264 PolarHBondContact O-N 3.11Å; V260-V264 VanDerWaalsContact O-N 3.08Å
261	A	98.8	Very high	98.2	Very high	25 Å²	25	55.1 Å²	55.1	21%	0.207	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-36.2	-179.9	0	0	0	0	0	113.5	L243 S257 M258 V264 V269 V271	L243-A261 HydrophobicContact CD1-CB 4.16Å; S257-A261 WeakPolarHBondContact O-CB 3.36Å; S257-A261 PolarHBondContact O-N 2.75Å; M258-A261 PolarHBondContact O-N 3.49Å; A261-V264 WeakPolarHBondContact O-CG2 3.26Å; A261-V269 HydrophobicContact CB-CG1 3.63Å; A261-V271 HydrophobicContact CB-CG2 3.56Å
262	D	98.6	Very high	98.4	Very high	124 Å²	124	55.6 Å²	55.6	66%	0.663	29%	0.294	S	S	*	.	H	α-helix	trans	-69.2	-32	176	177.9	74.8	0	0	0	112.8	M258 Q259 V260	M258-D262 WeakPolarHBondContact O-CB 3.35Å; M258-D262 PolarHBondContact O-N 2.71Å; Q259-D262 PolarHBondContact O-N 3.3Å; V260-D262 VanDerWaalsContact C-N 3.3Å; V260-D262 PolarHBondContact O-N 3.2Å
263	R	98.6	Very high	98.5	Very high	84 Å²	84	58.7 Å²	58.7	32%	0.317	31%	0.31	S	S	.	.	H	α-helix	trans	-92.3	-23.8	-173.6	-64.4	-52.2	-174.1	79.6	9.5	114.7	L231 S233 P234 I235 Q259 V260	L231-R263 PolarHBondContact O-NH1 2.67Å; L231-R263 PolarHBondContact O-NH2 2.81Å; S233-R263 PolarHBondContact O-NH1 2.82Å; P234-R263 CarbonylContact C-O 3.51Å; P234-R263 WeakPolarHBondContact CA-O 3.36Å; I235-R263 HydrophobicContact CD1-CB 3.88Å; I235-R263 HydrophobicContact CG1-CB 3.89Å; I235-R263 PolarHBondContact N-O 3.32Å; Q259-R263 VanDerWaalsContact O-CG 3.27Å; Q259-R263 WeakPolarHBondContact O-CG 3.44Å; Q259-R263 PolarHBondContact O-N 2.78Å; Q259-R263 VanDerWaalsContact O-N 3.15Å; V260-R263 PolarHBondContact O-N 2.98Å; V260-R263 VanDerWaalsContact O-N 3.14Å
264	V	98.8	Very high	98.6	Very high	11 Å²	11	59 Å²	59	7%	0.067	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-66.9	144	176.9	-68.2	0	0	0	0	111.4	L159 I235 I241 V260 A261 S266 V269	L159-V264 HydrophobicContact CD2-CG1 4.39Å; I235-V264 HydrophobicContact CB-CG1 3.92Å; I235-V264 HydrophobicContact CD1-CG1 4.32Å; I235-V264 HydrophobicContact CG2-CG1 3.94Å; I235-V264 WeakPolarHBondContact O-CA 3.38Å; I241-V264 HydrophobicContact CD1-CB 3.95Å; I241-V264 HydrophobicContact CD1-CG1 3.69Å; I241-V264 HydrophobicContact CD1-CG2 4.02Å; V260-V264 HydrophobicContact CG1-CG1 4.19Å; V260-V264 WeakPolarHBondContact O-CG1 3.42Å; V260-V264 WeakPolarHBondContact O-CG2 3.28Å; V260-V264 PolarHBondContact O-N 3.11Å; V260-V264 VanDerWaalsContact O-N 3.08Å; A261-V264 WeakPolarHBondContact O-CG2 3.26Å; V264-S266 VanDerWaalsContact C-N 3.31Å; V264-V269 HydrophobicContact CG2-CG1 4.36Å; V264-V269 HydrophobicContact CG2-CG2 3.6Å
265	L	98.7	Very high	98.6	Very high	90 Å²	90	62.8 Å²	62.8	47%	0.471	32%	0.322	S	S	.	.	S	Bend	trans	-76.3	-20.3	177.4	-63.8	-174	0	0	0	113.3	P234 I235 P236 V237 T267	P234-L265 HydrophobicContact CB-CD2 3.93Å; I235-L265 PolarHBondContact O-N 3.24Å; P236-L265 HydrophobicContact CB-CD1 4.15Å; V237-L265 PolarHBondContact O-N 3.09Å; L265-T267 PolarHBondContact O-N 3.39Å
266	S	98.6	Very high	98.6	Very high	11 Å²	11	65 Å²	65	8%	0.077	33%	0.332	C	S	.	.			trans	-55.8	133.7	177.5	-176.9	0	0	0	0	111.2	V237 N238 C239 V264 D268 V269	V237-S266 WeakPolarHBondContact O-CB 3.45Å; V237-S266 PolarHBondContact O-N 2.69Å; N238-S266 PolarHBondContact O-OG 2.71Å; C239-S266 VanDerWaalsContact O-CB 3.28Å; C239-S266 WeakPolarHBondContact O-CB 3.43Å; C239-S266 PolarHBondContact O-OG 2.97Å; V264-S266 VanDerWaalsContact C-N 3.31Å; S266-D268 VanDerWaalsContact C-N 3.31Å; S266-D268 PolarHBondContact OG-N 3.15Å; S266-V269 WeakPolarHBondContact O-CG2 3.35Å
267	T	98.1	Very high	98.5	Very high	150 Å²	150	65 Å²	65	92%	0.92	33%	0.332	S	S	*	.	S	Bend	trans	-86.7	-5	173	58.4	0	0	0	0	112.6	L265	L265-T267 PolarHBondContact O-N 3.39Å
268	D	98.6	Very high	98.4	Very high	35 Å²	35	66.8 Å²	66.8	19%	0.187	34%	0.341	C	S	.	.			trans	-113.9	75.7	-176.5	-178.5	8.9	0	0	0	110.7	P240 I241 R242 S266 K300	P240-D268 WeakPolarHBondContact CA-O 3.32Å; P240-D268 HydrophobicContact CB-CB 4.43Å; P240-D268 VanDerWaalsContact CB-OD2 3.32Å; P240-D268 WeakPolarHBondContact CB-OD2 3.36Å; P240-D268 VanDerWaalsContact CG-OD2 3.29Å; P240-D268 WeakPolarHBondContact CG-OD2 3.36Å; I241-D268 PolarHBondContact N-O 3.26Å; R242-D268 IonicContact CZ-OD1 2.73Å; R242-D268 PolarHBondContact NH1-O 3.18Å; R242-D268 VanDerWaalsContact NH1-O 3.17Å; R242-D268 IonicContact NH1-OD1 3.3Å; R242-D268 PolarHBondContact NH1-OD1 3.24Å; R242-D268 IonicContact NH2-OD1 3.56Å; R242-D268 PolarHBondContact NH2-OD1 3.05Å; S266-D268 VanDerWaalsContact C-N 3.31Å; S266-D268 PolarHBondContact OG-N 3.15Å; D268-K300 IonicContact OD1-NZ 2.92Å; D268-K300 PolarHBondContact OD1-NZ 3.47Å; D268-K300 VanDerWaalsContact OD2-CE 3.26Å; D268-K300 WeakPolarHBondContact OD2-CE 3.48Å; D268-K300 IonicContact OD2-NZ 2.64Å; D268-K300 PolarHBondContact OD2-NZ 3.17Å
269	V	98.9	Very high	98.4	Very high	33 Å²	33	63.4 Å²	63.4	20%	0.2	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	120.8	-173.1	-174	0	0	0	0	110.1	I241 A261 V264 S266	I241-V269 HydrophobicContact CB-CG1 4.23Å; I241-V269 HydrophobicContact CB-CG2 4.27Å; I241-V269 HydrophobicContact CD1-CG2 4.47Å; I241-V269 HydrophobicContact CG1-CG2 4.46Å; I241-V269 WeakPolarHBondContact O-CA 3.16Å; A261-V269 HydrophobicContact CB-CG1 3.63Å; V264-V269 HydrophobicContact CG2-CG1 4.36Å; V264-V269 HydrophobicContact CG2-CG2 3.6Å; S266-V269 WeakPolarHBondContact O-CG2 3.35Å
270	D	98.9	Very high	98.2	Very high	77 Å²	77	61.2 Å²	61.2	41%	0.412	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.8	172.4	-59.6	-44.5	0	0	0	110.5	I241 R242 L243	I241-D270 PolarHBondContact O-N 3.38Å; R242-D270 WeakPolarHBondContact CA-O 3.42Å; R242-D270 WeakPolarHBondContact CD-OD2 3.34Å; R242-D270 IonicContact CZ-OD2 3.83Å; R242-D270 IonicContact NE-OD2 2.69Å; R242-D270 PolarHBondContact NE-OD2 3.29Å; R242-D270 IonicContact NH1-OD2 3.47Å; R242-D270 IonicContact NH2-OD2 3.16Å; R242-D270 PolarHBondContact NH2-OD2 2.98Å; L243-D270 PolarHBondContact N-O 2.95Å
271	V	98.9	Very high	98.2	Very high	50 Å²	50	61.5 Å²	61.5	30%	0.303	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.4	170.7	-174.3	0	0	0	0	108.9	L243 A261 L273	L243-V271 HydrophobicContact CB-CG2 4.36Å; L243-V271 HydrophobicContact CD1-CG2 4.32Å; L243-V271 CarbonylContact O-C 3.58Å; L243-V271 WeakPolarHBondContact O-CA 3.33Å; A261-V271 HydrophobicContact CB-CG2 3.56Å; V271-L273 HydrophobicContact CG1-CD2 3.81Å; V271-L273 HydrophobicContact CG1-CG 4.16Å
272	I	98.8	Very high	98	Very high	56 Å²	56	64.1 Å²	64.1	29%	0.287	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	107.1	-177.5	-62.1	157.7	0	0	0	108.6	L243 L244 H245 L289	L243-I272 PolarHBondContact O-N 3.3Å; L244-I272 HydrophobicContact CD2-CB 3.72Å; L244-I272 HydrophobicContact CD2-CD1 3.36Å; L244-I272 HydrophobicContact CD2-CG1 4.08Å; L244-I272 HydrophobicContact CD2-CG2 4.21Å; H245-I272 PolarHBondContact N-O 3.27Å; I272-L289 HydrophobicContact CG2-CD1 4.27Å; I272-L289 HydrophobicContact CG2-CD2 3.92Å
273	L	98.8	Very high	97.9	Very high	66 Å²	66	64 Å²	64	35%	0.346	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.8	-178.2	-59.4	180	0	0	0	111.3	H245 M247 W254 V271	H245-L273 HydrophobicContact CB-CD2 3.92Å; H245-L273 CarbonylContact O-C 3.52Å; H245-L273 WeakPolarHBondContact O-CA 3.5Å; M247-L273 HydrophobicContact CG-CB 4.1Å; M247-L273 HydrophobicContact SD-CB 4.22Å; W254-L273 HydrophobicContact CB-CD2 4.23Å; W254-L273 HydrophobicContact CD2-CD1 4.4Å; W254-L273 HydrophobicContact CD2-CD2 4.45Å; W254-L273 HydrophobicContact CE3-CD1 3.49Å; W254-L273 VanDerWaalsContact CE3-CD1 3.49Å; W254-L273 HydrophobicContact CE3-CD2 3.8Å; W254-L273 HydrophobicContact CE3-CG 4.31Å; W254-L273 HydrophobicContact CH2-CD1 4.39Å; W254-L273 HydrophobicContact CZ3-CD1 3.46Å; W254-L273 VanDerWaalsContact CZ3-CD1 3.46Å; V271-L273 HydrophobicContact CG1-CD2 3.81Å; V271-L273 HydrophobicContact CG1-CG 4.16Å
274	R	98.4	Very high	97.9	Very high	66 Å²	66	69.1 Å²	69.1	25%	0.249	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109.9	177.5	-175.3	161.1	-77	-168.8	-5	111.1	H245 M247 H276 S277 M281 A285 D286 L289	H245-R274 PolarHBondContact O-N 3.47Å; M247-R274 PolarHBondContact N-O 3.18Å; R274-H276 PolarHBondContact O-N 2.89Å; R274-S277 PolarHBondContact O-N 2.99Å; R274-M281 HydrophobicContact CB-CE 4.45Å; R274-A285 PolarHBondContact NH1-O 3Å; R274-A285 PolarHBondContact NH2-O 3.45Å; R274-D286 WeakPolarHBondContact CD-OD1 3.37Å; R274-D286 IonicContact CZ-OD1 3.59Å; R274-D286 IonicContact NE-OD1 3.36Å; R274-D286 IonicContact NH1-OD1 3.46Å; R274-D286 PolarHBondContact NH1-OD1 3.12Å; R274-L289 VanDerWaalsContact NH2-CB 3.27Å
275	K	98.4	Very high	97.9	Very high	141 Å²	141	71 Å²	71	61%	0.613	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-35	-173	-173	175.9	177.6	-179.2	0	115.7	M247	M247-K275 HydrophobicContact SD-CB 4.4Å
276	H	96.8	Very high	97.9	Very high	142 Å²	142	67.2 Å²	67.2	66%	0.657	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	-1.8	-170.7	-64.4	-69.3	0	0	0	114.8	R274	R274-H276 PolarHBondContact O-N 2.89Å
277	S	97.8	Very high	97.9	Very high	7 Å²	7	67.9 Å²	67.9	5%	0.049	34%	0.342	C	S	.	.			trans	-82	149.3	179	-167.7	0	0	0	0	110.6	G246 K248 R274 M281 D286	G246-S277 CarbonylContact C-O 3.55Å; G246-S277 WeakPolarHBondContact CA-O 3.35Å; K248-S277 WeakPolarHBondContact CA-O 3.08Å; K248-S277 WeakPolarHBondContact CB-O 3.41Å; K248-S277 PolarHBondContact N-O 3.37Å; R274-S277 PolarHBondContact O-N 2.99Å; S277-M281 WeakPolarHBondContact OG-CG 3.39Å; S277-D286 WeakPolarHBondContact CB-OD1 3.42Å; S277-D286 PolarHBondContact OG-OD1 3.2Å; S277-D286 VanDerWaalsContact OG-OD1 3.13Å; S277-D286 PolarHBondContact OG-OD2 3.5Å
278	D	97.1	Very high	97.9	Very high	38 Å²	38	65.2 Å²	65.2	20%	0.203	32%	0.319	C	S	.	.			trans	-96.8	-166.4	-179.6	75	0.7	0	0	0	111.5	Q280 M281	D278-Q280 VanDerWaalsContact C-N 3.28Å; D278-Q280 PolarHBondContact O-N 2.94Å; D278-Q280 PolarHBondContact OD1-N 2.79Å; D278-M281 VanDerWaalsContact O-CG 3.29Å; D278-M281 WeakPolarHBondContact O-CG 3.48Å; D278-M281 PolarHBondContact OD1-N 3.18Å
279	H	96.8	Very high	97.9	Very high	24 Å²	24	64.9 Å²	64.9	11%	0.111	32%	0.317	C	S	.	.	S	Bend	trans	-61.7	-33.9	179.8	-171.5	53.8	0	0	0	113.8	S152 Y209 D249 I251 V252	S152-H279 PolarHBondContact OG-CE1 2.73Å; S152-H279 VanDerWaalsContact OG-CE1 3.23Å; S152-H279 PolarHBondContact OG-NE2 3.3Å; Y209-H279 HydrophobicContact CE2-CB 4.13Å; Y209-H279 WeakPolarHBondContact OH-CB 3.24Å; Y209-H279 PolarHBondContact OH-N 3.33Å; D249-H279 VanDerWaalsContact CG-CA 3.5Å; D249-H279 VanDerWaalsContact CG-ND1 3.31Å; D249-H279 VanDerWaalsContact OD1-CB 3.28Å; D249-H279 WeakPolarHBondContact OD1-CB 3.38Å; D249-H279 IonicContact OD1-CG 3.21Å; D249-H279 IonicContact OD1-ND1 3.69Å; D249-H279 PolarHBondContact OD1-ND1 2.67Å; D249-H279 VanDerWaalsContact OD1-ND1 3.16Å; D249-H279 WeakPolarHBondContact OD2-CA 3.26Å; D249-H279 IonicContact OD2-CE1 3.65Å; D249-H279 IonicContact OD2-CG 3.5Å; D249-H279 IonicContact OD2-ND1 2.92Å; D249-H279 PolarHBondContact OD2-ND1 3.36Å; I251-H279 HydrophobicContact CB-CB 4.15Å; I251-H279 HydrophobicContact CG1-CB 3.92Å; V252-H279 VanDerWaalsContact CG2-CE1 3.48Å; V252-H279 WeakPolarHBondContact CG2-CE1 3.37Å
280	Q	95.5	Very high	97.9	Very high	55 Å²	55	63.5 Å²	63.5	26%	0.257	31%	0.309	S	S	.	.	S	Bend	trans	-76.9	-28.7	-172.3	-70.2	-174	88.7	0	0	112.3	K92 Y209 D278 K282	K92-Q280 PolarHBondContact NZ-O 3.46Å; Y209-Q280 HydrophobicContact CD1-CG 3.71Å; Y209-Q280 HydrophobicContact CE1-CG 3.71Å; D278-Q280 VanDerWaalsContact C-N 3.28Å; D278-Q280 PolarHBondContact O-N 2.94Å; D278-Q280 PolarHBondContact OD1-N 2.79Å; Q280-K282 HydrophobicContact CB-CB 4.34Å; Q280-K282 HydrophobicContact CB-CD 3.95Å; Q280-K282 HydrophobicContact CB-CG 3.84Å; Q280-K282 VanDerWaalsContact CD-CE 3.46Å; Q280-K282 HydrophobicContact CG-CD 4.49Å; Q280-K282 PolarHBondContact O-N 3.45Å
281	M	97.4	Very high	97.9	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.03	30%	0.295	C	S	.	.			trans	42.1	52.5	-176.1	-63.5	-160.3	67.3	0	0	111.9	V175 L244 G246 R274 S277 D278 D286	V175-M281 HydrophobicContact CG1-CB 3.72Å; V175-M281 HydrophobicContact CG1-CG 4.11Å; V175-M281 HydrophobicContact CG1-SD 3.83Å; L244-M281 HydrophobicContact CB-CE 4.14Å; L244-M281 HydrophobicContact CB-SD 4.27Å; G246-M281 PolarHBondContact N-SD 3.14Å; R274-M281 HydrophobicContact CB-CE 4.45Å; S277-M281 WeakPolarHBondContact OG-CG 3.39Å; D278-M281 VanDerWaalsContact O-CG 3.29Å; D278-M281 WeakPolarHBondContact O-CG 3.48Å; D278-M281 PolarHBondContact OD1-N 3.18Å; M281-D286 WeakPolarHBondContact CA-OD2 3.45Å; M281-D286 HydrophobicContact CB-CB 4.18Å; M281-D286 VanDerWaalsContact O-CB 3.27Å; M281-D286 WeakPolarHBondContact O-CB 3.28Å
282	K	95.9	Very high	97.8	Very high	80 Å²	80	64.3 Å²	64.3	35%	0.348	30%	0.304	S	S	.	.			trans	-120.4	1.6	-171.5	71.4	175.8	-176.8	-176	0	114.4	Q280 D286	Q280-K282 HydrophobicContact CB-CB 4.34Å; Q280-K282 HydrophobicContact CB-CD 3.95Å; Q280-K282 HydrophobicContact CB-CG 3.84Å; Q280-K282 VanDerWaalsContact CD-CE 3.46Å; Q280-K282 HydrophobicContact CG-CD 4.49Å; Q280-K282 PolarHBondContact O-N 3.45Å; K282-D286 PolarHBondContact N-OD2 3.47Å
283	E	97.3	Very high	97.8	Very high	121 Å²	121	62.1 Å²	62.1	57%	0.565	29%	0.293	S	S	*	.	S	Bend	trans	-65.5	158.9	174.1	-64.1	-54.2	134.1	0	0	110.4	A285 D286 I287	E283-A285 PolarHBondContact O-N 3.11Å; E283-A285 VanDerWaalsContact O-N 3.11Å; E283-D286 WeakPolarHBondContact CB-OD2 3.43Å; E283-D286 PolarHBondContact N-OD2 3.38Å; E283-D286 WeakPolarHBondContact O-CA 3.49Å; E283-D286 WeakPolarHBondContact O-CB 3.35Å; E283-D286 PolarHBondContact O-N 3.02Å; E283-I287 PolarHBondContact O-N 3.24Å
284	K	97.7	Very high	97.8	Very high	192 Å²	192	59 Å²	59	84%	0.835	28%	0.276	S	S	*	.	H	α-helix	trans	-51.2	-43	-176.5	-70.4	-177	179.1	179.1	0	112.9	D286 Q288	K284-D286 VanDerWaalsContact C-N 3.32Å; K284-D286 PolarHBondContact O-N 3.35Å; K284-Q288 WeakPolarHBondContact O-CB 3.48Å; K284-Q288 PolarHBondContact O-N 2.72Å
285	A	98.1	Very high	97.8	Very high	52 Å²	52	58.1 Å²	58.1	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-66.9	-32.3	177.3	0	0	0	0	0	112.5	R274 E283 L289	R274-A285 PolarHBondContact NH1-O 3Å; R274-A285 PolarHBondContact NH2-O 3.45Å; E283-A285 PolarHBondContact O-N 3.11Å; E283-A285 VanDerWaalsContact O-N 3.11Å; A285-L289 PolarHBondContact O-N 2.91Å
286	D	98.4	Very high	97.8	Very high	9 Å²	9	56.6 Å²	56.6	5%	0.048	28%	0.276	C	S	.	.	H	α-helix	trans	-70.3	-45.9	177.8	-59.1	-32.3	0	0	0	110.6	R274 S277 M281 K282 E283 K284 Q288 L289 L290	R274-D286 WeakPolarHBondContact CD-OD1 3.37Å; R274-D286 IonicContact CZ-OD1 3.59Å; R274-D286 IonicContact NE-OD1 3.36Å; R274-D286 IonicContact NH1-OD1 3.46Å; R274-D286 PolarHBondContact NH1-OD1 3.12Å; S277-D286 WeakPolarHBondContact CB-OD1 3.42Å; S277-D286 PolarHBondContact OG-OD1 3.2Å; S277-D286 VanDerWaalsContact OG-OD1 3.13Å; S277-D286 PolarHBondContact OG-OD2 3.5Å; M281-D286 WeakPolarHBondContact CA-OD2 3.45Å; M281-D286 HydrophobicContact CB-CB 4.18Å; M281-D286 VanDerWaalsContact O-CB 3.27Å; M281-D286 WeakPolarHBondContact O-CB 3.28Å; K282-D286 PolarHBondContact N-OD2 3.47Å; E283-D286 WeakPolarHBondContact CB-OD2 3.43Å; E283-D286 PolarHBondContact N-OD2 3.38Å; E283-D286 WeakPolarHBondContact O-CA 3.49Å; E283-D286 WeakPolarHBondContact O-CB 3.35Å; E283-D286 PolarHBondContact O-N 3.02Å; K284-D286 VanDerWaalsContact C-N 3.32Å; K284-D286 PolarHBondContact O-N 3.35Å; D286-Q288 VanDerWaalsContact C-N 3.3Å; D286-Q288 PolarHBondContact O-N 3.32Å; D286-L289 PolarHBondContact O-N 3.21Å; D286-L290 PolarHBondContact O-N 3.4Å
287	I	98.6	Very high	97.8	Very high	26 Å²	26	50 Å²	50	13%	0.133	25%	0.245	C	C	.	.	H	α-helix	trans	-58.8	-45.6	173.3	-60.2	-55.3	0	0	0	110.4	T91 K92 A95 E283 L289 L290 V291	T91-I287 HydrophobicContact CG2-CD1 4.19Å; T91-I287 HydrophobicContact CG2-CG1 4.36Å; K92-I287 HydrophobicContact CB-CD1 4.41Å; K92-I287 HydrophobicContact CG-CD1 3.7Å; A95-I287 HydrophobicContact CB-CG2 3.4Å; A95-I287 VanDerWaalsContact CB-CG2 3.4Å; E283-I287 PolarHBondContact O-N 3.24Å; I287-L289 PolarHBondContact O-N 3.43Å; I287-L290 WeakPolarHBondContact O-CB 3.33Å; I287-L290 PolarHBondContact O-N 3.24Å; I287-L290 VanDerWaalsContact O-N 3.12Å; I287-V291 WeakPolarHBondContact O-CG2 3.29Å; I287-V291 PolarHBondContact O-N 2.73Å
288	Q	98.4	Very high	97.8	Very high	93 Å²	93	49.9 Å²	49.9	44%	0.435	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-44	177.6	-174.1	178.5	9.5	0	0	112.3	K284 D286 L290 V291 Y292	K284-Q288 WeakPolarHBondContact O-CB 3.48Å; K284-Q288 PolarHBondContact O-N 2.72Å; D286-Q288 VanDerWaalsContact C-N 3.3Å; D286-Q288 PolarHBondContact O-N 3.32Å; Q288-L290 VanDerWaalsContact C-N 3.32Å; Q288-L290 PolarHBondContact O-N 3.3Å; Q288-V291 VanDerWaalsContact O-CG2 3.3Å; Q288-V291 WeakPolarHBondContact O-CG2 3.27Å; Q288-V291 PolarHBondContact O-N 2.89Å; Q288-Y292 HydrophobicContact CG-CD2 3.93Å; Q288-Y292 HydrophobicContact CG-CE1 4.25Å; Q288-Y292 HydrophobicContact CG-CE2 3.39Å; Q288-Y292 VanDerWaalsContact NE2-CE2 3.34Å; Q288-Y292 PolarHBondContact NE2-OH 2.79Å; Q288-Y292 WeakPolarHBondContact O-CB 3.43Å; Q288-Y292 WeakPolarHBondContact O-CD2 3.24Å; Q288-Y292 VanDerWaalsContact O-CG 3.23Å; Q288-Y292 PolarHBondContact O-N 3.06Å
289	L	98.8	Very high	97.8	Very high	29 Å²	29	52.6 Å²	52.6	15%	0.152	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-43.3	174.1	170	66.6	0	0	0	111.8	L244 I272 R274 A285 D286 I287 Y292 T293	L244-L289 HydrophobicContact CD1-CD2 4.29Å; L244-L289 HydrophobicContact CD1-CG 4.13Å; L244-L289 HydrophobicContact CD2-CD2 4.24Å; L244-L289 HydrophobicContact CD2-CG 4.35Å; I272-L289 HydrophobicContact CG2-CD1 4.27Å; I272-L289 HydrophobicContact CG2-CD2 3.92Å; R274-L289 VanDerWaalsContact NH2-CB 3.27Å; A285-L289 PolarHBondContact O-N 2.91Å; D286-L289 PolarHBondContact O-N 3.21Å; I287-L289 PolarHBondContact O-N 3.43Å; L289-Y292 PolarHBondContact O-N 3.3Å; L289-T293 WeakPolarHBondContact O-CB 3.49Å; L289-T293 PolarHBondContact O-N 3Å; L289-T293 PolarHBondContact O-OG1 3.44Å
290	L	98.8	Very high	97.7	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-48.3	179.7	177.8	57.6	0	0	0	111.5	K92 I96 V149 I173 V175 L244 D286 I287 Q288 T293 I294	K92-L290 HydrophobicContact CB-CD2 4.27Å; K92-L290 HydrophobicContact CD-CD2 4.24Å; K92-L290 HydrophobicContact CG-CD2 4.36Å; I96-L290 HydrophobicContact CD1-CD2 4.06Å; I96-L290 HydrophobicContact CG1-CD2 4.23Å; V149-L290 HydrophobicContact CG1-CD1 3.95Å; I173-L290 HydrophobicContact CG2-CD1 3.86Å; V175-L290 HydrophobicContact CG2-CD1 3.81Å; V175-L290 HydrophobicContact CG2-CD2 4.36Å; L244-L290 HydrophobicContact CD1-CB 4.28Å; L244-L290 HydrophobicContact CD1-CD1 3.96Å; D286-L290 PolarHBondContact O-N 3.4Å; I287-L290 WeakPolarHBondContact O-CB 3.33Å; I287-L290 PolarHBondContact O-N 3.24Å; I287-L290 VanDerWaalsContact O-N 3.12Å; Q288-L290 VanDerWaalsContact C-N 3.32Å; Q288-L290 PolarHBondContact O-N 3.3Å; L290-T293 PolarHBondContact O-N 3.36Å; L290-I294 HydrophobicContact CD1-CD1 4.32Å; L290-I294 HydrophobicContact CG-CD1 4.26Å; L290-I294 WeakPolarHBondContact O-CG1 3.44Å; L290-I294 PolarHBondContact O-N 3.31Å
291	V	98.3	Very high	97.6	Very high	21 Å²	21	54 Å²	54	13%	0.127	26%	0.264	C	S	.	.	H	α-helix	trans	-67.1	-37.6	178.7	-72.9	0	0	0	0	112.9	F99 I287 Q288 T293 I294 D295	F99-V291 HydrophobicContact CB-CB 4.39Å; F99-V291 HydrophobicContact CB-CG1 3.58Å; F99-V291 HydrophobicContact CD1-CB 4.28Å; F99-V291 HydrophobicContact CD1-CG1 4.08Å; F99-V291 HydrophobicContact CD2-CB 3.84Å; F99-V291 HydrophobicContact CD2-CG1 3.97Å; F99-V291 HydrophobicContact CE2-CB 4.16Å; F99-V291 HydrophobicContact CG-CB 3.9Å; F99-V291 HydrophobicContact CG-CG1 3.6Å; I287-V291 WeakPolarHBondContact O-CG2 3.29Å; I287-V291 PolarHBondContact O-N 2.73Å; Q288-V291 VanDerWaalsContact O-CG2 3.3Å; Q288-V291 WeakPolarHBondContact O-CG2 3.27Å; Q288-V291 PolarHBondContact O-N 2.89Å; V291-T293 VanDerWaalsContact C-N 3.32Å; V291-T293 PolarHBondContact O-N 2.83Å; V291-I294 PolarHBondContact O-N 2.96Å; V291-D295 PolarHBondContact O-N 3.02Å
292	Y	98.4	Very high	97.2	Very high	122 Å²	122	56.2 Å²	56.2	48%	0.478	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-38.6	173.6	-67.1	-16.4	0	0	0	112.4	Q288 L289 I294 D295 D296	Q288-Y292 HydrophobicContact CG-CD2 3.93Å; Q288-Y292 HydrophobicContact CG-CE1 4.25Å; Q288-Y292 HydrophobicContact CG-CE2 3.39Å; Q288-Y292 VanDerWaalsContact NE2-CE2 3.34Å; Q288-Y292 PolarHBondContact NE2-OH 2.79Å; Q288-Y292 WeakPolarHBondContact O-CB 3.43Å; Q288-Y292 WeakPolarHBondContact O-CD2 3.24Å; Q288-Y292 VanDerWaalsContact O-CG 3.23Å; Q288-Y292 PolarHBondContact O-N 3.06Å; L289-Y292 PolarHBondContact O-N 3.3Å; Y292-I294 VanDerWaalsContact C-N 3.28Å; Y292-I294 PolarHBondContact O-N 3.38Å; Y292-D295 WeakPolarHBondContact O-CB 3.38Å; Y292-D295 PolarHBondContact O-N 2.82Å; Y292-D296 WeakPolarHBondContact O-CB 3.24Å; Y292-D296 VanDerWaalsContact O-CG 3.27Å; Y292-D296 PolarHBondContact O-N 2.93Å
293	T	98.8	Very high	96.3	Very high	10 Å²	10	57 Å²	57	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-37	175.1	-53.1	0	0	0	0	111.2	I173 R242 L244 L289 L290 V291 L297	I173-T293 HydrophobicContact CD1-CG2 4.05Å; I173-T293 HydrophobicContact CG1-CG2 4.27Å; I173-T293 HydrophobicContact CG2-CG2 4.2Å; R242-T293 HydrophobicContact CB-CG2 3.57Å; R242-T293 HydrophobicContact CG-CG2 3.76Å; L244-T293 HydrophobicContact CD2-CG2 4.29Å; L289-T293 WeakPolarHBondContact O-CB 3.49Å; L289-T293 PolarHBondContact O-N 3Å; L289-T293 PolarHBondContact O-OG1 3.44Å; L290-T293 PolarHBondContact O-N 3.36Å; V291-T293 VanDerWaalsContact C-N 3.32Å; V291-T293 PolarHBondContact O-N 2.83Å; T293-L297 VanDerWaalsContact O-CB 3.3Å; T293-L297 WeakPolarHBondContact O-CB 3.42Å; T293-L297 PolarHBondContact O-N 3.35Å
294	I	98.6	Very high	94.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67	-46.2	174.8	-63.9	162.8	0	0	0	110.4	I78 I96 F99 V149 I173 L290 V291 Y292 L297 I298	I78-I294 HydrophobicContact CG1-CG2 4.23Å; I96-I294 HydrophobicContact CD1-CD1 4.47Å; I96-I294 HydrophobicContact CG1-CD1 3.87Å; I96-I294 HydrophobicContact CG2-CD1 4.32Å; F99-I294 HydrophobicContact CD1-CB 4.46Å; F99-I294 HydrophobicContact CD1-CG2 4.18Å; F99-I294 HydrophobicContact CE1-CB 3.96Å; F99-I294 HydrophobicContact CE1-CG2 3.7Å; V149-I294 HydrophobicContact CG2-CD1 4.22Å; V149-I294 HydrophobicContact CG2-CG1 4.31Å; I173-I294 HydrophobicContact CD1-CB 4.18Å; I173-I294 HydrophobicContact CD1-CG1 3.47Å; I173-I294 VanDerWaalsContact CD1-CG1 3.47Å; L290-I294 HydrophobicContact CD1-CD1 4.32Å; L290-I294 HydrophobicContact CG-CD1 4.26Å; L290-I294 WeakPolarHBondContact O-CG1 3.44Å; L290-I294 PolarHBondContact O-N 3.31Å; V291-I294 PolarHBondContact O-N 2.96Å; Y292-I294 VanDerWaalsContact C-N 3.28Å; Y292-I294 PolarHBondContact O-N 3.38Å; I294-L297 PolarHBondContact O-N 3.41Å; I294-I298 HydrophobicContact CG2-CD1 3.77Å; I294-I298 HydrophobicContact CG2-CG1 4.37Å; I294-I298 WeakPolarHBondContact O-CG1 3.26Å; I294-I298 PolarHBondContact O-N 3.36Å
295	D	98.3	Very high	92.9	Very high	48 Å²	48	53.5 Å²	53.5	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-57.1	-54.9	179.3	-155.4	37.8	0	0	0	111.8	F99 L103 V291 Y292 L297 I298 D299	F99-D295 HydrophobicContact CE2-CB 4.5Å; F99-D295 HydrophobicContact CZ-CB 3.7Å; L103-D295 WeakPolarHBondContact CD1-OD1 3.35Å; V291-D295 PolarHBondContact O-N 3.02Å; Y292-D295 WeakPolarHBondContact O-CB 3.38Å; Y292-D295 PolarHBondContact O-N 2.82Å; D295-L297 PolarHBondContact O-N 2.62Å; D295-L297 VanDerWaalsContact O-N 3.16Å; D295-I298 WeakPolarHBondContact O-CB 3.24Å; D295-I298 PolarHBondContact O-N 2.92Å; D295-I298 VanDerWaalsContact O-N 3.09Å; D295-D299 PolarHBondContact O-N 3.4Å
296	D	97.9	Very high	90.2	Very high	110 Å²	110	60.2 Å²	60.2	59%	0.588	32%	0.323	S	S	*	.	H	α-helix	trans	-56.8	-36.6	-179.8	-70.7	-11.9	0	0	0	111.6	Y292 K300	Y292-D296 WeakPolarHBondContact O-CB 3.24Å; Y292-D296 VanDerWaalsContact O-CG 3.27Å; Y292-D296 PolarHBondContact O-N 2.93Å; D296-K300 WeakPolarHBondContact O-CB 3.43Å; D296-K300 PolarHBondContact O-N 3.37Å
297	L	97.4	Very high	89.8	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-76.9	-36.5	-179	-155.6	61.5	0	0	0	112.2	I147 A171 I173 P240 R242 T293 I294 D295 D299 L301	I147-L297 HydrophobicContact CG2-CD2 4.28Å; A171-L297 HydrophobicContact CB-CD1 4.34Å; A171-L297 HydrophobicContact CB-CD2 3.47Å; A171-L297 VanDerWaalsContact CB-CD2 3.47Å; A171-L297 HydrophobicContact CB-CG 3.83Å; I173-L297 HydrophobicContact CD1-CD2 3.81Å; I173-L297 HydrophobicContact CG1-CD2 3.67Å; P240-L297 HydrophobicContact CB-CD1 3.96Å; R242-L297 HydrophobicContact CG-CD1 4.34Å; R242-L297 HydrophobicContact CG-CD2 4.4Å; T293-L297 VanDerWaalsContact O-CB 3.3Å; T293-L297 WeakPolarHBondContact O-CB 3.42Å; T293-L297 PolarHBondContact O-N 3.35Å; I294-L297 PolarHBondContact O-N 3.41Å; D295-L297 PolarHBondContact O-N 2.62Å; D295-L297 VanDerWaalsContact O-N 3.16Å; L297-D299 VanDerWaalsContact C-N 3.35Å; L297-L301 WeakPolarHBondContact O-CB 3.36Å; L297-L301 VanDerWaalsContact O-CG 3.23Å; L297-L301 WeakPolarHBondContact O-CG 3.42Å; L297-L301 PolarHBondContact O-N 3.46Å
298	I	97.4	Very high	89.3	Confident	6 Å²	6	64.7 Å²	64.7	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-60.3	-47.4	171.2	-73.4	168.4	0	0	0	110	I78 I147 I294 D295 L301 S302	I78-I298 HydrophobicContact CD1-CD1 4.32Å; I147-I298 HydrophobicContact CD1-CG1 3.77Å; I294-I298 HydrophobicContact CG2-CD1 3.77Å; I294-I298 HydrophobicContact CG2-CG1 4.37Å; I294-I298 WeakPolarHBondContact O-CG1 3.26Å; I294-I298 PolarHBondContact O-N 3.36Å; D295-I298 WeakPolarHBondContact O-CB 3.24Å; D295-I298 PolarHBondContact O-N 2.92Å; D295-I298 VanDerWaalsContact O-N 3.09Å; I298-L301 PolarHBondContact O-N 3.31Å; I298-S302 WeakPolarHBondContact O-CB 3.41Å; I298-S302 PolarHBondContact O-N 3.29Å; I298-S302 PolarHBondContact O-OG 3.38Å
299	D	96.2	Very high	88.8	Confident	95 Å²	95	63.2 Å²	63.2	51%	0.508	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-48	179	-84.4	-2.9	0	0	0	111	D295 L297 L301 S302 T303	D295-D299 PolarHBondContact O-N 3.4Å; L297-D299 VanDerWaalsContact C-N 3.35Å; D299-L301 PolarHBondContact O-N 3.41Å; D299-S302 WeakPolarHBondContact O-CB 3.3Å; D299-S302 PolarHBondContact O-N 2.81Å; D299-S302 VanDerWaalsContact O-N 3.1Å; D299-T303 WeakPolarHBondContact O-CG2 3.34Å; D299-T303 PolarHBondContact O-N 2.9Å
300	K	94.6	Very high	88.2	Confident	78 Å²	78	65.2 Å²	65.2	34%	0.339	35%	0.354	S	S	.	.	H	α-helix	trans	-55.7	-49.4	176.7	-172.5	175.6	-169.1	174.6	0	111.9	D268 D296 S302 T303 V304	D268-K300 IonicContact OD1-NZ 2.92Å; D268-K300 PolarHBondContact OD1-NZ 3.47Å; D268-K300 VanDerWaalsContact OD2-CE 3.26Å; D268-K300 WeakPolarHBondContact OD2-CE 3.48Å; D268-K300 IonicContact OD2-NZ 2.64Å; D268-K300 PolarHBondContact OD2-NZ 3.17Å; D296-K300 WeakPolarHBondContact O-CB 3.43Å; D296-K300 PolarHBondContact O-N 3.37Å; K300-S302 VanDerWaalsContact C-N 3.26Å; K300-S302 PolarHBondContact O-N 2.8Å; K300-T303 PolarHBondContact O-N 3.1Å; K300-T303 PolarHBondContact O-OG1 3.07Å; K300-V304 WeakPolarHBondContact O-CG2 3.35Å; K300-V304 PolarHBondContact O-N 3.03Å
301	L	94.1	Very high	87.5	Confident	30 Å²	30	69 Å²	69	16%	0.157	38%	0.375	C	S	.	.	H	α-helix	trans	-64.6	-31.4	179.3	-69.9	172.7	0	0	0	112.6	P76 I147 V170 A171 P240 L297 I298 D299 V305	P76-L301 HydrophobicContact CG-CD1 4.46Å; I147-L301 HydrophobicContact CD1-CD1 3.95Å; I147-L301 HydrophobicContact CG1-CD1 4.01Å; V170-L301 HydrophobicContact CB-CD1 4.35Å; V170-L301 HydrophobicContact CB-CD2 4.5Å; V170-L301 HydrophobicContact CG2-CD1 3.82Å; A171-L301 HydrophobicContact CB-CD1 4.04Å; P240-L301 HydrophobicContact CG-CD2 4.47Å; L297-L301 WeakPolarHBondContact O-CB 3.36Å; L297-L301 VanDerWaalsContact O-CG 3.23Å; L297-L301 WeakPolarHBondContact O-CG 3.42Å; L297-L301 PolarHBondContact O-N 3.46Å; I298-L301 PolarHBondContact O-N 3.31Å; D299-L301 PolarHBondContact O-N 3.41Å; L301-V305 WeakPolarHBondContact O-CG2 3.36Å
302	S	88.1	Confident	86.8	Confident	52 Å²	52	72.2 Å²	72.2	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-72.1	-29.9	176.9	-56.9	0	0	0	0	112.7	I298 D299 K300 N306	I298-S302 WeakPolarHBondContact O-CB 3.41Å; I298-S302 PolarHBondContact O-N 3.29Å; I298-S302 PolarHBondContact O-OG 3.38Å; D299-S302 WeakPolarHBondContact O-CB 3.3Å; D299-S302 PolarHBondContact O-N 2.81Å; D299-S302 VanDerWaalsContact O-N 3.1Å; K300-S302 VanDerWaalsContact C-N 3.26Å; K300-S302 PolarHBondContact O-N 2.8Å; S302-N306 PolarHBondContact O-ND2 2.76Å; S302-N306 VanDerWaalsContact O-ND2 3.16Å
303	T	77.1	Confident	86	Confident	96 Å²	96	68.6 Å²	68.6	59%	0.589	39%	0.385	S	S	*	.	H	α-helix	trans	-77.9	-22.4	176.8	59.1	0	0	0	0	114.3	D299 K300 V305	D299-T303 WeakPolarHBondContact O-CG2 3.34Å; D299-T303 PolarHBondContact O-N 2.9Å; K300-T303 PolarHBondContact O-N 3.1Å; K300-T303 PolarHBondContact O-OG1 3.07Å; T303-V305 VanDerWaalsContact C-N 3.34Å
304	V	68	Low	85	Confident	113 Å²	113	73.2 Å²	73.2	69%	0.685	41%	0.41	S	S	*	.	H	α-helix	trans	-79.6	-19.8	179	175.6	0	0	0	0	112	K300	K300-V304 WeakPolarHBondContact O-CG2 3.35Å; K300-V304 PolarHBondContact O-N 3.03Å
305	V	56.8	Low	83.9	Confident	127 Å²	127	79.3 Å²	79.3	77%	0.77	45%	0.445	S	S	*	.			trans	-92.3	-12	-177.7	-179.5	0	0	0	0	112.6	L301 T303	L301-V305 WeakPolarHBondContact O-CG2 3.36Å; T303-V305 VanDerWaalsContact C-N 3.34Å
306	N	40.4	Very low	82.6	Confident	194 Å²	194	82.1 Å²	82.1	100%	1.037	46%	0.462	S	S	*	.			trans	-106.5	0	175.6	-68	-50.6	0	0	0	111.4	S302	S302-N306 PolarHBondContact O-ND2 2.76Å; S302-N306 VanDerWaalsContact O-ND2 3.16Å

Retrieved 306 of 306 residues in 2156.9 ms (Link to these results)

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