A0A060WN74_ONCMY Loading...

Acid phosphatase 6, lysophosphatidic

AlphaFold DB , UniProt , Accession A0A060WN74, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110501629, Length 426 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	33.3	Very low	28.9	Very low	242 Å²	242	161.1 Å²	161.1	100%	1.192	85%	0.845	S	S	*	*				0	115.9	0	-132.2	168.9	174.4	0	0	107.7
2	R	31.2	Very low	28.7	Very low	231 Å²	231	159 Å²	159	87%	0.872	84%	0.843	S	S	*	*			trans	32.5	103.7	153.3	-81.2	177.4	177.1	177.2	-1.4	118.9
3	T	29.3	Very low	28.5	Very low	117 Å²	117	160.4 Å²	160.4	72%	0.718	85%	0.85	S	S	*	*				93.8	125.6	89	43.8	0	0	0	0	115.8
4	R	30.1	Very low	28.2	Very low	225 Å²	225	153.6 Å²	153.6	85%	0.849	84%	0.837	S	S	*	*			trans	62.9	145.7	140.5	-72.5	-175.5	160.1	162.3	-4.8	117.7
5	N	29	Very low	28	Very low	118 Å²	118	150.7 Å²	150.7	63%	0.631	83%	0.832	S	S	*	*			cis	-164.8	134.1	8	-100.2	-17.7	0	0	0	105.7
6	L	29.5	Very low	27.8	Very low	182 Å²	182	149.9 Å²	149.9	95%	0.953	83%	0.833	S	S	*	*			trans	-118.5	99.4	161.6	-96.3	150.3	0	0	0	106.8
7	L	29	Very low	27.7	Very low	144 Å²	144	147.4 Å²	147.4	75%	0.754	83%	0.828	S	S	*	*			trans	-88.1	105.8	173.5	-100.1	150.2	0	0	0	108.3
8	T	27.2	Very low	27.6	Very low	137 Å²	137	148.1 Å²	148.1	84%	0.84	83%	0.826	S	S	*	*			trans	-70.1	122.4	158.2	32.1	0	0	0	0	108.8
9	K	27.3	Very low	27.4	Very low	200 Å²	200	145.6 Å²	145.6	87%	0.87	83%	0.827	S	S	*	*			trans	-111.9	110.7	162.1	-90.6	-172.4	175.1	-177.6	0	108.6
10	A	26.6	Very low	27.5	Very low	96 Å²	96	148.1 Å²	148.1	79%	0.793	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-65.2	125.7	161.8	0	0	0	0	0	109
11	G	25	Very low	27.3	Very low	80 Å²	80	145 Å²	145	83%	0.825	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-90.9	116.3	169.5	0	0	0	0	0	109.5
12	V	27	Very low	27.1	Very low	136 Å²	136	137.9 Å²	137.9	82%	0.824	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-70.7	128.8	178	171.2	0	0	0	0	109.9	G14	V12-G14 PolarHBondContact O-N 3.39Å; V12-G14 VanDerWaalsContact O-N 3.15Å
13	L	26.4	Very low	26.9	Very low	177 Å²	177	135.8 Å²	135.8	93%	0.927	81%	0.806	S	S	*	*			trans	-64.4	103	164.5	-86.9	149.1	0	0	0	108.9
14	G	23.8	Very low	26.8	Very low	65 Å²	65	137.6 Å²	137.6	67%	0.67	81%	0.811	S	S	*	*			trans	-90.2	112.7	170.8	0	0	0	0	0	110.5	V12 V16	V12-G14 PolarHBondContact O-N 3.39Å; V12-G14 VanDerWaalsContact O-N 3.15Å; G14-V16 PolarHBondContact O-N 2.94Å
15	S	25.7	Very low	26.6	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	81%	0.811	S	S	*	*			trans	-61.9	121.6	167.4	45.8	0	0	0	0	110.8	S17	S15-S17 PolarHBondContact O-N 3.19Å
16	V	24.9	Very low	26.5	Very low	139 Å²	139	137.6 Å²	137.6	84%	0.842	82%	0.82	S	S	*	*			trans	-80.7	98.7	169.8	178.9	0	0	0	0	107.9	G14 M18	G14-V16 PolarHBondContact O-N 2.94Å; V16-M18 PolarHBondContact O-N 2.87Å
17	S	25.3	Very low	26.3	Very low	107 Å²	107	137 Å²	137	75%	0.748	81%	0.812	S	S	*	*			trans	-70.2	116.6	167.3	-74.9	0	0	0	0	109.6	S15 A19	S15-S17 PolarHBondContact O-N 3.19Å; S17-A19 PolarHBondContact O-N 3.39Å
18	M	26.1	Very low	26.2	Very low	159 Å²	159	139.4 Å²	139.4	78%	0.783	82%	0.816	S	S	*	*			trans	-70.1	115.8	162.8	-73	-130.6	-79.6	0	0	108.7	V16 F20	V16-M18 PolarHBondContact O-N 2.87Å; M18-F20 PolarHBondContact O-N 3.37Å
19	A	24.6	Very low	26	Very low	102 Å²	102	142.9 Å²	142.9	84%	0.843	82%	0.819	S	S	*	*			trans	-73.1	106.9	178.6	0	0	0	0	0	110.1	S17 G21	S17-A19 PolarHBondContact O-N 3.39Å; A19-G21 PolarHBondContact O-N 2.73Å
20	F	29.3	Very low	26	Very low	194 Å²	194	139.9 Å²	139.9	85%	0.851	82%	0.818	S	S	*	*			trans	-70.1	115.6	157.5	-80.2	-92.8	0	0	0	108.2	M18 S22	M18-F20 PolarHBondContact O-N 3.37Å; F20-S22 PolarHBondContact O-N 3.44Å
21	G	23.2	Very low	25.9	Very low	85 Å²	85	144.3 Å²	144.3	88%	0.876	82%	0.822	S	S	*	*			trans	-65.6	96.5	172.5	0	0	0	0	0	110.4	A19	A19-G21 PolarHBondContact O-N 2.73Å
22	S	28.2	Very low	26	Very low	91 Å²	91	146.6 Å²	146.6	64%	0.636	82%	0.823	S	S	*	*			trans	-90	116.9	167.1	44.9	0	0	0	0	108.8	F20 L24	F20-S22 PolarHBondContact O-N 3.44Å; S22-L24 PolarHBondContact O-N 3.02Å
23	M	27.2	Very low	25.9	Very low	187 Å²	187	147 Å²	147	92%	0.921	83%	0.826	S	S	*	*			trans	-68.1	100	165.4	-88.6	-178.6	172.1	0	0	108.3	W25	M23-W25 PolarHBondContact O-N 3.22Å
24	L	26.7	Very low	26	Very low	156 Å²	156	147.3 Å²	147.3	82%	0.817	82%	0.823	S	S	*	*			trans	-80	113.7	172.7	-79.3	156.1	0	0	0	109.6	S22 S26	S22-L24 PolarHBondContact O-N 3.02Å; L24-S26 PolarHBondContact O-N 2.84Å
25	W	26.9	Very low	26.2	Very low	226 Å²	226	150 Å²	150	86%	0.856	83%	0.826	S	S	*	*			trans	-69.3	120.5	165.5	-76.7	5	0	0	0	109.9	M23 H27	M23-W25 PolarHBondContact O-N 3.22Å; W25-H27 PolarHBondContact O-N 3.48Å
26	S	25.9	Very low	26.2	Very low	116 Å²	116	152.5 Å²	152.5	81%	0.811	83%	0.831	S	S	*	*			trans	-81.1	105.5	175.2	-175.8	0	0	0	0	109.9	L24	L24-S26 PolarHBondContact O-N 2.84Å
27	H	26	Very low	26.9	Very low	170 Å²	170	151.7 Å²	151.7	79%	0.787	83%	0.832	S	S	*	*			trans	-81.7	109.9	164.7	-88.6	-76.4	0	0	0	109.5	W25 K29	W25-H27 PolarHBondContact O-N 3.48Å; H27-K29 PolarHBondContact O-N 3.42Å
28	K	26.6	Very low	27.2	Very low	194 Å²	194	149.9 Å²	149.9	84%	0.843	83%	0.829	S	S	*	*			trans	-70.4	118.2	161.5	-92	-179.8	173.5	178.4	0	108.9
29	K	23.8	Very low	27.6	Very low	210 Å²	210	147.9 Å²	147.9	91%	0.913	83%	0.831	S	S	*	*			trans	-70.3	132.3	166	-88.2	177	171.1	178.4	0	109.7	H27	H27-K29 PolarHBondContact O-N 3.42Å
30	T	26.6	Very low	27.9	Very low	138 Å²	138	147.7 Å²	147.7	85%	0.847	83%	0.829	S	S	*	*			trans	-114.4	132	162.3	-10	0	0	0	0	107.5
31	E	25	Very low	28.4	Very low	188 Å²	188	143.8 Å²	143.8	88%	0.879	82%	0.823	S	S	*	*			trans	-71.8	159	-178.9	-75.3	179.4	155.7	0	0	113
32	P	26.3	Very low	29.2	Very low	128 Å²	128	144.7 Å²	144.7	83%	0.831	82%	0.816	S	S	*	*			trans	-94.3	136.9	-173.7	35.4	-29.1	0	0	0	112.7
33	T	25.8	Very low	29.5	Very low	146 Å²	146	146.4 Å²	146.4	90%	0.896	83%	0.827	S	S	*	*			trans	-105.6	137.8	161.4	27.2	0	0	0	0	110.8
34	Q	28.3	Very low	30.2	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	82%	0.818	S	S	*	*			trans	-74.6	147.4	-172.8	-83.4	-179.6	-17.2	0	0	114.8
35	T	28.5	Very low	31	Very low	122 Å²	122	145.6 Å²	145.6	75%	0.748	81%	0.814	S	S	*	*			trans	56.7	118.2	145.7	56.1	0	0	0	0	120.1
36	D	26	Very low	32	Very low	162 Å²	162	140.8 Å²	140.8	87%	0.866	81%	0.812	S	S	*	*				-152.8	141.2	114.6	-120	-17.8	0	0	0	112.6
37	S	39	Very low	33.7	Very low	122 Å²	122	142.2 Å²	142.2	85%	0.853	81%	0.805	S	S	*	*			trans	-78.4	119.1	-176.8	50.7	0	0	0	0	111.7
38	G	30.9	Very low	36.2	Very low	68 Å²	68	140.4 Å²	140.4	70%	0.701	80%	0.795	S	S	*	*			trans	-156.2	129.9	172.2	0	0	0	0	0	110.8	A40	G38-A40 PolarHBondContact O-N 2.85Å
39	S	34.9	Very low	39.3	Very low	118 Å²	118	133.9 Å²	133.9	83%	0.825	77%	0.773	S	S	*	*			trans	-32	121.4	179.1	51.1	0	0	0	0	115	P41	S39-P41 VanDerWaalsContact O-CD 3.31Å; S39-P41 WeakPolarHBondContact O-CD 3.31Å
40	A	32	Very low	42.7	Very low	97 Å²	97	126.5 Å²	126.5	80%	0.802	74%	0.74	S	S	*	*			trans	-61.6	118	176.2	0	0	0	0	0	111	G38	G38-A40 PolarHBondContact O-N 2.85Å
41	P	39.5	Very low	46	Very low	112 Å²	112	122.8 Å²	122.8	73%	0.727	71%	0.713	S	S	*	*			trans	-70.1	131.9	158.3	18.1	-7.1	0	0	0	107.4	S39 C43	S39-P41 VanDerWaalsContact O-CD 3.31Å; S39-P41 WeakPolarHBondContact O-CD 3.31Å; P41-C43 PolarHBondContact O-N 3.08Å
42	S	39.9	Very low	49.4	Very low	104 Å²	104	115 Å²	115	73%	0.727	68%	0.677	S	S	*	*			trans	-40.9	110	167.9	158.8	0	0	0	0	110	K44	S42-K44 PolarHBondContact O-N 3.36Å
43	C	33.9	Very low	52.8	Low	127 Å²	127	111.1 Å²	111.1	86%	0.858	65%	0.647	S	S	*	*			trans	-65.2	91.1	166.9	-75.5	0	0	0	0	107.2	P41 E45	P41-C43 PolarHBondContact O-N 3.08Å; C43-E45 PolarHBondContact O-N 3.43Å
44	K	42.4	Very low	56.3	Low	171 Å²	171	104.3 Å²	104.3	74%	0.743	61%	0.605	S	S	*	*			trans	-62.9	114.5	159.3	-68.3	-176.3	178.7	-178.8	0	105.7	S42	S42-K44 PolarHBondContact O-N 3.36Å
45	E	43.9	Very low	59.6	Low	156 Å²	156	95.6 Å²	95.6	73%	0.729	56%	0.564	S	S	*	*			trans	-47.4	138.1	166.7	-73.4	-175.4	158	0	0	108.2	C43 H47	C43-E45 PolarHBondContact O-N 3.43Å; E45-H47 VanDerWaalsContact C-N 3.25Å; E45-H47 PolarHBondContact O-N 3.1Å
46	P	46.5	Very low	63	Low	124 Å²	124	89.9 Å²	89.9	81%	0.805	53%	0.529	S	S	*	.			trans	-61.3	97.5	172.3	24.7	-29.9	0	0	0	107	F48	P46-F48 PolarHBondContact O-N 3.25Å
47	H	62.8	Low	66.5	Low	146 Å²	146	82.2 Å²	82.2	68%	0.676	49%	0.488	S	S	*	.			trans	-59.9	104.1	178.4	-78.9	-70.9	0	0	0	107.2	E45	E45-H47 VanDerWaalsContact C-N 3.25Å; E45-H47 PolarHBondContact O-N 3.1Å
48	F	77.9	Confident	69.3	Low	132 Å²	132	76.6 Å²	76.6	58%	0.579	45%	0.449	S	S	*	.			trans	-52.8	126.4	172	-125.9	-93.5	0	0	0	107.1	P46 Y50 R368	P46-F48 PolarHBondContact O-N 3.25Å; F48-Y50 HydrophobicContact CD1-CD2 4.22Å; F48-Y50 PolarHBondContact O-N 2.94Å; F48-R368 PolarHBondContact O-NE 3.07Å
49	P	91.4	Very high	72.6	Confident	57 Å²	57	73.3 Å²	73.3	37%	0.37	42%	0.415	S	S	.	.	S	Bend	trans	-67.8	-11.6	-169.5	25.5	-33.6	0	0	0	112.6	H367 R368	P49-H367 CarbonylContact O-C 3.59Å; P49-H367 WeakPolarHBondContact O-CA 3.44Å; P49-R368 WeakPolarHBondContact O-CG 3.42Å; P49-R368 PolarHBondContact O-N 3.49Å
50	Y	94.8	Very high	75.6	Confident	55 Å²	55	67.8 Å²	67.8	22%	0.216	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147.1	-177.9	-55.8	-68.8	0	0	0	112.2	F48 Q366 H367 R368 F374 Y393	F48-Y50 HydrophobicContact CD1-CD2 4.22Å; F48-Y50 PolarHBondContact O-N 2.94Å; Y50-Q366 CarbonylContact C-O 3.58Å; Y50-Q366 WeakPolarHBondContact CA-O 3.4Å; Y50-H367 HydrophobicContact CD1-CB 4.25Å; Y50-H367 HydrophobicContact CE1-CB 4.28Å; Y50-R368 PolarHBondContact O-NE 3.41Å; Y50-R368 PolarHBondContact O-NH2 3.13Å; Y50-F374 HydrophobicContact CD1-CD2 4.06Å; Y50-F374 HydrophobicContact CD1-CE2 4.44Å; Y50-F374 AromaticContact CE1-CD2 3.67Å; Y50-F374 HydrophobicContact CE1-CD2 3.67Å; Y50-F374 AromaticContact CE1-CE2 3.76Å; Y50-F374 HydrophobicContact CE1-CE2 3.76Å; Y50-F374 HydrophobicContact CE1-CG 4.1Å; Y50-F374 HydrophobicContact CE1-CZ 4.23Å; Y50-Y393 HydrophobicContact CD1-CD1 4.39Å; Y50-Y393 AromaticContact CD2-CD1 3.85Å; Y50-Y393 HydrophobicContact CD2-CD1 3.85Å; Y50-Y393 AromaticContact CD2-CE1 3.74Å; Y50-Y393 HydrophobicContact CD2-CE1 3.74Å; Y50-Y393 HydrophobicContact CD2-CE2 4.47Å; Y50-Y393 HydrophobicContact CD2-CG 4.26Å; Y50-Y393 HydrophobicContact CE2-CD1 4.02Å; Y50-Y393 HydrophobicContact CE2-CD2 4.2Å; Y50-Y393 HydrophobicContact CE2-CE1 4.28Å; Y50-Y393 HydrophobicContact CE2-CE2 4.46Å; Y50-Y393 AromaticContact CE2-CG 3.98Å; Y50-Y393 HydrophobicContact CE2-CG 3.98Å; Y50-Y393 HydrophobicContact CG-CD1 4.05Å; Y50-Y393 HydrophobicContact CG-CE1 4.03Å
51	E	95.9	Very high	78.8	Confident	60 Å²	60	63.2 Å²	63.2	28%	0.28	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.8	171.6	-170.8	-169.7	164.6	0	0	108.8	K53 H365 Q366 R368	E51-K53 WeakPolarHBondContact OE1-CE 3.37Å; E51-K53 IonicContact OE1-NZ 2.82Å; E51-K53 PolarHBondContact OE1-NZ 3.24Å; E51-K53 VanDerWaalsContact OE2-CE 3.29Å; E51-K53 WeakPolarHBondContact OE2-CE 3.45Å; E51-K53 IonicContact OE2-NZ 3.39Å; E51-K53 PolarHBondContact OE2-NZ 2.82Å; E51-H365 CarbonylContact O-C 3.57Å; E51-H365 WeakPolarHBondContact O-CA 3.37Å; E51-Q366 PolarHBondContact N-O 3.19Å; E51-Q366 PolarHBondContact O-N 2.93Å; E51-R368 HydrophobicContact CB-CG 4.16Å
52	L	97.7	Very high	81.6	Confident	25 Å²	25	57.9 Å²	57.9	13%	0.131	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131.7	177.2	-177.6	64.3	0	0	0	110.4	V55 Y145 F151 E363	L52-V55 HydrophobicContact CD1-CG2 3.99Å; L52-V55 HydrophobicContact CD2-CG2 3.87Å; L52-V55 HydrophobicContact CG-CG2 4.24Å; L52-Y145 HydrophobicContact CD2-CD1 3.74Å; L52-Y145 HydrophobicContact CD2-CE1 3.8Å; L52-F151 HydrophobicContact CB-CD2 4.19Å; L52-F151 HydrophobicContact CB-CE2 4.38Å; L52-F151 HydrophobicContact CD2-CB 4.03Å; L52-F151 HydrophobicContact CD2-CD1 3.67Å; L52-F151 HydrophobicContact CD2-CD2 3.93Å; L52-F151 HydrophobicContact CD2-CE1 4.08Å; L52-F151 HydrophobicContact CD2-CE2 4.31Å; L52-F151 HydrophobicContact CD2-CG 3.6Å; L52-F151 HydrophobicContact CD2-CZ 4.38Å; L52-F151 HydrophobicContact CG-CD1 4.27Å; L52-F151 HydrophobicContact CG-CD2 3.93Å; L52-F151 HydrophobicContact CG-CE1 4.27Å; L52-F151 HydrophobicContact CG-CE2 3.92Å; L52-F151 HydrophobicContact CG-CG 4.12Å; L52-F151 HydrophobicContact CG-CZ 4.1Å; L52-F151 WeakPolarHBondContact O-CE2 3.47Å; L52-E363 HydrophobicContact CD1-CB 3.75Å; L52-E363 HydrophobicContact CD1-CG 4.13Å
53	K	97.3	Very high	84.4	Confident	47 Å²	47	52.9 Å²	52.9	20%	0.204	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	-34.5	-175.4	-62.5	-63.1	178	173.9	0	113.9	E51 K317 L364 Q366	E51-K53 WeakPolarHBondContact OE1-CE 3.37Å; E51-K53 IonicContact OE1-NZ 2.82Å; E51-K53 PolarHBondContact OE1-NZ 3.24Å; E51-K53 VanDerWaalsContact OE2-CE 3.29Å; E51-K53 WeakPolarHBondContact OE2-CE 3.45Å; E51-K53 IonicContact OE2-NZ 3.39Å; E51-K53 PolarHBondContact OE2-NZ 2.82Å; K53-K317 VanDerWaalsContact O-CE 3.31Å; K53-K317 WeakPolarHBondContact O-CE 3.42Å; K53-L364 HydrophobicContact CB-CD2 4.04Å; K53-L364 HydrophobicContact CB-CG 4.12Å; K53-L364 PolarHBondContact N-O 2.91Å; K53-Q366 HydrophobicContact CG-CB 4.16Å; K53-Q366 HydrophobicContact CG-CG 4Å
54	L	98.6	Very high	87.5	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	145.6	-179.9	-170.1	70	0	0	0	110.7	Q56 N313 I314 K317 K328 F330 E363 L364	L54-Q56 HydrophobicContact CD2-CG 4.05Å; L54-Q56 HydrophobicContact CG-CG 4.29Å; L54-N313 HydrophobicContact CD2-CB 4.1Å; L54-N313 WeakPolarHBondContact CD2-O 3.21Å; L54-I314 HydrophobicContact CD2-CG1 4.41Å; L54-K317 HydrophobicContact CB-CG 4.22Å; L54-K317 HydrophobicContact CD2-CB 4.35Å; L54-K328 WeakPolarHBondContact CD1-O 3.31Å; L54-F330 HydrophobicContact CD1-CD2 3.84Å; L54-F330 HydrophobicContact CD1-CE2 3.61Å; L54-F330 HydrophobicContact CD2-CD2 4.38Å; L54-F330 HydrophobicContact CD2-CE2 4.16Å; L54-F330 HydrophobicContact CG-CD2 4.36Å; L54-F330 HydrophobicContact CG-CE2 4.35Å; L54-E363 CarbonylContact O-C 3.47Å; L54-E363 WeakPolarHBondContact O-CA 3.27Å; L54-L364 HydrophobicContact CB-CB 3.81Å; L54-L364 HydrophobicContact CB-CD2 4.17Å; L54-L364 PolarHBondContact N-O 3.02Å; L54-L364 PolarHBondContact O-N 3.27Å
55	V	98.9	Very high	90.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.1	170.2	-178.9	0	0	0	0	109.3	L52 V57 Y145 F151 K328 L329 F330 T361 L362 E363	L52-V55 HydrophobicContact CD1-CG2 3.99Å; L52-V55 HydrophobicContact CD2-CG2 3.87Å; L52-V55 HydrophobicContact CG-CG2 4.24Å; V55-V57 HydrophobicContact CG1-CG2 3.89Å; V55-Y145 HydrophobicContact CB-CE2 4.5Å; V55-Y145 HydrophobicContact CG1-CD2 4.41Å; V55-Y145 HydrophobicContact CG1-CE1 4.43Å; V55-Y145 HydrophobicContact CG1-CE2 3.64Å; V55-Y145 HydrophobicContact CG2-CD1 4.04Å; V55-Y145 HydrophobicContact CG2-CE1 3.65Å; V55-Y145 HydrophobicContact CG2-CE2 4.21Å; V55-Y145 HydrophobicContact CG2-CG 4.5Å; V55-F151 HydrophobicContact CB-CE1 4.38Å; V55-F151 HydrophobicContact CG2-CD1 4.12Å; V55-F151 HydrophobicContact CG2-CE1 3.65Å; V55-F151 HydrophobicContact CG2-CZ 4.44Å; V55-K328 PolarHBondContact N-O 3.33Å; V55-L329 HydrophobicContact CB-CD1 3.83Å; V55-L329 HydrophobicContact CG1-CD1 3.67Å; V55-L329 CarbonylContact O-C 3.48Å; V55-L329 VanDerWaalsContact O-CA 3.31Å; V55-L329 WeakPolarHBondContact O-CA 3.33Å; V55-F330 PolarHBondContact O-N 3.23Å; V55-T361 HydrophobicContact CG1-CG2 4.03Å; V55-L362 CarbonylContact C-O 3.58Å; V55-L362 WeakPolarHBondContact CA-O 3.35Å; V55-E363 HydrophobicContact CG2-CG 4.4Å
56	Q	98.9	Very high	92.7	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125	172.9	-51.4	-177.6	78.9	0	0	108.4	L54 L310 N313 F330 T361 L362	L54-Q56 HydrophobicContact CD2-CG 4.05Å; L54-Q56 HydrophobicContact CG-CG 4.29Å; Q56-L310 HydrophobicContact CB-CD2 4.21Å; Q56-L310 PolarHBondContact NE2-O 3.01Å; Q56-L310 VanDerWaalsContact OE1-CD2 3.23Å; Q56-L310 PolarHBondContact OE1-O 2.82Å; Q56-N313 PolarHBondContact OE1-ND2 3.43Å; Q56-F330 CarbonylContact C-O 3.48Å; Q56-F330 WeakPolarHBondContact CA-O 3.29Å; Q56-F330 HydrophobicContact CB-CB 4.39Å; Q56-F330 HydrophobicContact CG-CB 4.23Å; Q56-F330 HydrophobicContact CG-CD2 4.08Å; Q56-T361 CarbonylContact O-C 3.51Å; Q56-T361 WeakPolarHBondContact O-CA 3.06Å; Q56-L362 HydrophobicContact CB-CB 4.37Å; Q56-L362 PolarHBondContact N-O 2.98Å; Q56-L362 PolarHBondContact O-N 2.77Å
57	V	98.9	Very high	95	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	114.6	-178.4	-171.5	0	0	0	0	109	V55 F59 L141 L329 F330 L331 Y332 D359 T361	V55-V57 HydrophobicContact CG1-CG2 3.89Å; V57-F59 HydrophobicContact CG1-CD1 4.17Å; V57-L141 HydrophobicContact CG1-CD1 4.44Å; V57-L141 HydrophobicContact CG2-CD1 4.09Å; V57-L141 HydrophobicContact CG2-CD2 4.38Å; V57-L329 HydrophobicContact CG2-CD1 4.03Å; V57-F330 PolarHBondContact N-O 3.21Å; V57-L331 HydrophobicContact CB-CD2 3.81Å; V57-L331 HydrophobicContact CG2-CD2 4.06Å; V57-Y332 PolarHBondContact O-N 3.13Å; V57-D359 HydrophobicContact CG1-CB 3.97Å; V57-T361 HydrophobicContact CG2-CG2 4.22Å
58	L	98.9	Very high	96.3	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117.3	170.8	179.8	69.7	0	0	0	108.3	L203 L306 Y332 A334 T338 L339 C342 D359 I360	L58-L203 HydrophobicContact CD1-CD2 4.28Å; L58-L306 HydrophobicContact CD1-CD2 4.17Å; L58-L306 HydrophobicContact CD2-CD2 3.95Å; L58-Y332 WeakPolarHBondContact CA-O 3.4Å; L58-A334 HydrophobicContact CD1-CB 3.6Å; L58-A334 HydrophobicContact CG-CB 4.5Å; L58-T338 HydrophobicContact CD1-CG2 4.36Å; L58-T338 HydrophobicContact CD2-CG2 4.25Å; L58-L339 HydrophobicContact CD2-CD1 4.07Å; L58-L339 HydrophobicContact CG-CD1 3.86Å; L58-C342 HydrophobicContact CD2-CB 4.44Å; L58-D359 CarbonylContact O-C 3.59Å; L58-D359 VanDerWaalsContact O-CA 3.27Å; L58-D359 WeakPolarHBondContact O-CA 3.41Å; L58-I360 HydrophobicContact CD2-CD1 4.47Å; L58-I360 PolarHBondContact N-O 2.82Å; L58-I360 PolarHBondContact O-N 3Å
59	F	98.9	Very high	96.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.9	-173.4	61.1	-83.9	0	0	0	112.8	V57 L134 L137 A175 L178 L331 Y332 S333 A334 S358 D359	V57-F59 HydrophobicContact CG1-CD1 4.17Å; F59-L134 HydrophobicContact CD2-CD1 3.68Å; F59-L134 HydrophobicContact CE2-CD1 3.93Å; F59-L137 HydrophobicContact CB-CD2 3.96Å; F59-L137 HydrophobicContact CD2-CD2 4.48Å; F59-L137 HydrophobicContact CG-CD2 4.26Å; F59-A175 HydrophobicContact CZ-CB 4.17Å; F59-L178 HydrophobicContact CD1-CD1 3.81Å; F59-L178 HydrophobicContact CD2-CD1 4.04Å; F59-L178 HydrophobicContact CE1-CD1 3.67Å; F59-L178 HydrophobicContact CE2-CD1 3.88Å; F59-L178 HydrophobicContact CG-CD1 3.99Å; F59-L178 HydrophobicContact CZ-CD1 3.69Å; F59-L331 HydrophobicContact CE1-CB 4.1Å; F59-L331 HydrophobicContact CE1-CD2 4.48Å; F59-Y332 VanDerWaalsContact CD1-O 3.32Å; F59-Y332 WeakPolarHBondContact CD1-O 3.25Å; F59-Y332 PolarHBondContact N-O 2.93Å; F59-S333 WeakPolarHBondContact CE2-OG 3.47Å; F59-S333 VanDerWaalsContact CZ-CB 3.43Å; F59-A334 PolarHBondContact O-N 3.35Å; F59-S358 CarbonylContact C-O 3.58Å; F59-S358 VanDerWaalsContact CA-O 3.32Å; F59-S358 WeakPolarHBondContact CA-O 3.38Å; F59-D359 HydrophobicContact CB-CB 3.95Å
60	R	98.9	Very high	96.8	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	145.5	171.2	-173	-175.8	-177.9	-147.2	-3.2	109.2	D336 L339 P354 P355 Y356 A357 S358	R60-D336 IonicContact CZ-OD2 3.43Å; R60-D336 IonicContact NE-OD2 2.67Å; R60-D336 PolarHBondContact NE-OD2 3.36Å; R60-D336 VanDerWaalsContact NE-OD2 3.16Å; R60-D336 IonicContact NH2-OD2 3.51Å; R60-D336 PolarHBondContact NH2-OD2 3.34Å; R60-L339 HydrophobicContact CB-CD2 4.23Å; R60-P354 PolarHBondContact NH1-O 3.03Å; R60-P355 WeakPolarHBondContact CD-O 3.3Å; R60-P355 PolarHBondContact NH1-O 3.49Å; R60-Y356 VanDerWaalsContact CZ-CD1 3.49Å; R60-Y356 VanDerWaalsContact NH1-N 3.18Å; R60-Y356 VanDerWaalsContact NH2-CE1 3.3Å; R60-A357 WeakPolarHBondContact O-CA 3.15Å; R60-S358 PolarHBondContact N-O 3.38Å
61	H	98.9	Very high	96.3	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.095	C	C	.	.			trans	-54	165.2	166.7	64.9	70.8	0	0	0	113.2	R64 R170 T171 S174 A334 H335 Y356 A357	H61-R64 VanDerWaalsContact CE1-CD 3.43Å; H61-R64 WeakPolarHBondContact CE1-CD 3.31Å; H61-R64 PolarHBondContact CE1-NE 2.94Å; H61-R170 PolarHBondContact CD2-NE 2.82Å; H61-R170 PolarHBondContact NE2-NE 2.97Å; H61-T171 HydrophobicContact CB-CG2 3.99Å; H61-S174 VanDerWaalsContact CA-OG 3.29Å; H61-S174 WeakPolarHBondContact CA-OG 3.18Å; H61-S174 VanDerWaalsContact CB-OG 3.25Å; H61-S174 WeakPolarHBondContact CB-OG 3.32Å; H61-A334 PolarHBondContact N-O 2.8Å; H61-H335 AromaticContact CD2-ND1 3.88Å; H61-Y356 AromaticContact CE1-CE1 3.88Å; H61-A357 PolarHBondContact O-N 3.24Å; H61-A357 VanDerWaalsContact O-N 3.07Å
62	G	98.9	Very high	95.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.115	C	C	.	.			trans	-78.5	-175.7	-179	0	0	0	0	0	113.2	S174 Y356	G62-S174 PolarHBondContact N-OG 3.09Å; G62-Y356 WeakPolarHBondContact O-CD1 3.36Å
63	A	98.9	Very high	95	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.			trans	-52.5	139.7	171.7	0	0	0	0	0	111.5	L126 T127 V129 G130 T263 Y356	A63-L126 WeakPolarHBondContact O-CD1 3.33Å; A63-T127 PolarHBondContact O-N 2.88Å; A63-T127 VanDerWaalsContact O-N 3.1Å; A63-T127 PolarHBondContact O-OG1 2.92Å; A63-T127 VanDerWaalsContact O-OG1 3.11Å; A63-V129 HydrophobicContact CB-CB 4.23Å; A63-V129 HydrophobicContact CB-CG1 3.91Å; A63-G130 WeakPolarHBondContact O-CA 3.45Å; A63-T263 HydrophobicContact CB-CG2 3.56Å; A63-Y356 HydrophobicContact CB-CD2 3.82Å; A63-Y356 HydrophobicContact CB-CE2 4.15Å; A63-Y356 HydrophobicContact CB-CG 4.21Å
64	R	98.7	Very high	94.4	Very high	6 Å²	6	22.1 Å²	22.1	2%	0.023	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-145	166	-172.1	54.4	163	-179.9	65.2	3.4	110.8	H61 Q125 D256 H264 Y356	H61-R64 VanDerWaalsContact CE1-CD 3.43Å; H61-R64 WeakPolarHBondContact CE1-CD 3.31Å; H61-R64 PolarHBondContact CE1-NE 2.94Å; R64-Q125 CarbonylContact C-O 3.59Å; R64-Q125 WeakPolarHBondContact CA-O 3.42Å; R64-Q125 WeakPolarHBondContact CB-O 3.29Å; R64-D256 IonicContact CZ-OD1 3.59Å; R64-D256 IonicContact NH1-OD1 2.78Å; R64-D256 PolarHBondContact NH1-OD1 2.82Å; R64-D256 IonicContact NH1-OD2 2.72Å; R64-D256 IonicContact NH2-OD1 3.89Å; R64-D256 PolarHBondContact NH2-OD1 2.88Å; R64-H264 PolarHBondContact O-CE1 2.93Å; R64-Y356 HydrophobicContact CG-CE1 3.83Å
65	T	98.4	Very high	93.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.			trans	-60.2	153.1	161.1	66.3	0	0	0	0	109.9	W78 L83 L117 Y122 G124 Q125 T127	T65-W78 HydrophobicContact CG2-CB 4.45Å; T65-W78 HydrophobicContact CG2-CD2 4.16Å; T65-W78 HydrophobicContact CG2-CE3 3.65Å; T65-W78 HydrophobicContact CG2-CZ3 4.21Å; T65-L83 HydrophobicContact CG2-CD1 4.3Å; T65-L117 HydrophobicContact CG2-CD1 4.39Å; T65-Y122 PolarHBondContact OG1-O 3.29Å; T65-G124 WeakPolarHBondContact O-CA 3.43Å; T65-G124 PolarHBondContact O-N 2.9Å; T65-G124 PolarHBondContact OG1-N 2.82Å; T65-Q125 HydrophobicContact CG2-CB 4.36Å; T65-Q125 PolarHBondContact N-O 3.23Å; T65-Q125 PolarHBondContact OG1-N 3.1Å; T65-T127 HydrophobicContact CG2-CG2 4.25Å
66	P	97.3	Very high	93.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.			trans	-65.2	153.9	179.1	28.3	-36.1	0	0	0	110.3	K68 W78 L117 P123 G124 A260	P66-K68 VanDerWaalsContact C-N 3.34Å; P66-W78 HydrophobicContact CG-CZ2 3.99Å; P66-L117 HydrophobicContact CG-CD1 4.1Å; P66-P123 VanDerWaalsContact O-CA 3.23Å; P66-P123 WeakPolarHBondContact O-CA 3.41Å; P66-P123 WeakPolarHBondContact O-CB 3.37Å; P66-G124 PolarHBondContact O-N 3.41Å; P66-A260 HydrophobicContact CB-CB 4.11Å; P66-A260 HydrophobicContact CG-CB 4.49Å
67	L	95.2	Very high	93.3	Very high	54 Å²	54	31.7 Å²	31.7	28%	0.283	17%	0.174	S	C	.	.	S	Bend	trans	-73.8	-33	169.3	-63.5	176.7	0	0	0	110.6	Y112 D256	L67-Y112 HydrophobicContact CD2-CD1 4.16Å; L67-Y112 HydrophobicContact CD2-CE1 3.7Å; L67-Y112 HydrophobicContact CD2-CE2 4.3Å; L67-D256 WeakPolarHBondContact CB-OD2 3.45Å; L67-D256 PolarHBondContact N-OD2 3.25Å
68	K	89.9	Confident	93.3	Very high	132 Å²	132	31.7 Å²	31.7	57%	0.574	17%	0.174	S	C	*	.	S	Bend	trans	-146.4	137.1	174.8	-64.4	-178.5	-178.3	175.8	0	109.8	P66 L253	P66-K68 VanDerWaalsContact C-N 3.34Å; K68-L253 HydrophobicContact CB-CD1 3.98Å; K68-L253 HydrophobicContact CB-CG 4.03Å; K68-L253 HydrophobicContact CD-CD1 3.86Å
69	S	89.8	Confident	93.2	Very high	25 Å²	25	34 Å²	34	18%	0.175	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-83.9	153.7	171.2	-55	0	0	0	0	111.1	P71	S69-P71 VanDerWaalsContact O-CD 3.32Å; S69-P71 WeakPolarHBondContact O-CD 3.49Å; S69-P71 VanDerWaalsContact O-N 3.17Å
70	I	89.4	Confident	93.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-63.1	117.8	167.6	-61	166.4	0	0	0	107.7	G72 I73 I243 L253 I254 D257 L272	I70-G72 PolarHBondContact O-N 3.39Å; I70-I73 HydrophobicContact CG2-CB 3.91Å; I70-I73 HydrophobicContact CG2-CG1 3.88Å; I70-I243 HydrophobicContact CG2-CD1 3.6Å; I70-I243 HydrophobicContact CG2-CG1 4.3Å; I70-L253 HydrophobicContact CG1-CD2 4.13Å; I70-I254 HydrophobicContact CD1-CB 4.49Å; I70-I254 HydrophobicContact CD1-CG1 4.44Å; I70-I254 HydrophobicContact CD1-CG2 4.11Å; I70-I254 HydrophobicContact CG1-CG1 4.46Å; I70-D257 HydrophobicContact CD1-CB 4.34Å; I70-D257 HydrophobicContact CG1-CB 3.95Å; I70-D257 WeakPolarHBondContact CG1-OD2 3.32Å; I70-D257 PolarHBondContact N-OD2 3.35Å; I70-L272 HydrophobicContact CD1-CD1 4.21Å
71	P	83.6	Confident	93	Very high	42 Å²	42	42.5 Å²	42.5	27%	0.273	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	128.7	-166.4	28.2	-36.9	0	0	0	112.1	S69 I73 Q247 V249	S69-P71 VanDerWaalsContact O-CD 3.32Å; S69-P71 WeakPolarHBondContact O-CD 3.49Å; S69-P71 VanDerWaalsContact O-N 3.17Å; P71-I73 PolarHBondContact O-N 3.17Å; P71-Q247 HydrophobicContact CG-CG 4.12Å; P71-V249 HydrophobicContact CG-CG2 3.95Å
72	G	81.8	Confident	93	Very high	67 Å²	67	44.5 Å²	44.5	69%	0.691	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	5.5	175.9	0	0	0	0	0	115.3	I70	I70-G72 PolarHBondContact O-N 3.39Å
73	I	84.1	Confident	92.9	Very high	32 Å²	32	46.5 Å²	46.5	16%	0.164	26%	0.259	C	S	.	.	S	Bend	trans	-117.3	110.1	-177.1	-54.6	-55.1	0	0	0	110.5	I70 P71 E75 L241 I243 P269	I70-I73 HydrophobicContact CG2-CB 3.91Å; I70-I73 HydrophobicContact CG2-CG1 3.88Å; P71-I73 PolarHBondContact O-N 3.17Å; I73-E75 PolarHBondContact O-N 3.47Å; I73-L241 WeakPolarHBondContact CD1-O 3.35Å; I73-I243 HydrophobicContact CD1-CG1 4.43Å; I73-I243 HydrophobicContact CG1-CG1 3.96Å; I73-P269 HydrophobicContact CG2-CB 4.28Å; I73-P269 HydrophobicContact CG2-CG 3.69Å
74	M	85.9	Confident	92.9	Very high	96 Å²	96	51.7 Å²	51.7	47%	0.473	28%	0.283	S	S	.	.			trans	40.5	64.4	170.4	-170.6	-177.1	-68.5	0	0	112.4	A76 R261 P267 P269	M74-A76 PolarHBondContact O-N 2.82Å; M74-R261 PolarHBondContact O-NH1 3.2Å; M74-R261 PolarHBondContact O-NH2 2.9Å; M74-P267 HydrophobicContact SD-CB 4.23Å; M74-P269 HydrophobicContact CB-CG 4.3Å
75	E	84.9	Confident	92.8	Very high	97 Å²	97	54.1 Å²	54.1	45%	0.453	30%	0.3	S	S	.	.			trans	-62.9	123.1	-173.5	-65.4	-175.7	168.3	0	0	112	I73 T118	I73-E75 PolarHBondContact O-N 3.47Å; E75-T118 HydrophobicContact CB-CG2 4.16Å; E75-T118 PolarHBondContact OE2-OG1 2.84Å
76	A	93.1	Very high	92.8	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.033	31%	0.307	C	S	.	.			trans	-73.1	145.9	177.1	0	0	0	0	0	111.2	M74 W78 R261 L266	M74-A76 PolarHBondContact O-N 2.82Å; A76-W78 PolarHBondContact O-N 2.7Å; A76-R261 HydrophobicContact CB-CG 3.93Å; A76-L266 HydrophobicContact CB-CB 4.31Å; A76-L266 HydrophobicContact CB-CD1 4.23Å
77	Q	95.8	Very high	92.8	Very high	105 Å²	105	59.1 Å²	59.1	49%	0.491	34%	0.339	S	S	.	.			trans	-85.6	95.9	178.3	-60.8	-60	-52.1	0	0	110.4	V79 T118	Q77-V79 HydrophobicContact CB-CG1 4.32Å; Q77-V79 PolarHBondContact O-N 2.7Å; Q77-T118 VanDerWaalsContact NE2-CG2 3.25Å
78	W	97	Very high	93	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.339	C	S	.	.			trans	-86.8	82.9	174	-64.3	100.1	0	0	0	109.8	T65 P66 A76 L82 L117 T118 G119 T121 A260 R261 H264 L266	T65-W78 HydrophobicContact CG2-CB 4.45Å; T65-W78 HydrophobicContact CG2-CD2 4.16Å; T65-W78 HydrophobicContact CG2-CE3 3.65Å; T65-W78 HydrophobicContact CG2-CZ3 4.21Å; P66-W78 HydrophobicContact CG-CZ2 3.99Å; A76-W78 PolarHBondContact O-N 2.7Å; W78-L82 HydrophobicContact CE3-CD1 3.84Å; W78-L82 HydrophobicContact CZ3-CD1 4.37Å; W78-L117 HydrophobicContact CB-CB 4.24Å; W78-L117 HydrophobicContact CB-CD1 4.22Å; W78-L117 HydrophobicContact CG-CD1 4.03Å; W78-T118 PolarHBondContact N-O 2.94Å; W78-G119 CarbonylContact O-C 3.44Å; W78-T121 WeakPolarHBondContact CB-OG1 3.37Å; W78-T121 WeakPolarHBondContact O-CB 3.25Å; W78-T121 WeakPolarHBondContact O-CG2 3.44Å; W78-T121 PolarHBondContact O-N 2.85Å; W78-T121 PolarHBondContact O-OG1 2.86Å; W78-A260 HydrophobicContact CH2-CB 3.72Å; W78-A260 HydrophobicContact CZ2-CB 3.85Å; W78-R261 HydrophobicContact CZ2-CG 3.93Å; W78-H264 HydrophobicContact CH2-CB 4.47Å; W78-H264 AromaticContact CH2-ND1 3.56Å; W78-H264 HydrophobicContact CZ3-CB 4.33Å; W78-H264 AromaticContact CZ3-CE1 3.87Å; W78-H264 AromaticContact CZ3-CG 3.79Å; W78-H264 AromaticContact CZ3-ND1 3.59Å; W78-L266 HydrophobicContact CD2-CD1 3.89Å; W78-L266 HydrophobicContact CE3-CD1 3.78Å; W78-L266 HydrophobicContact CH2-CD1 3.73Å; W78-L266 HydrophobicContact CZ2-CD1 3.78Å; W78-L266 HydrophobicContact CZ3-CD1 3.73Å
79	V	97.8	Very high	93.4	Very high	53 Å²	53	53.2 Å²	53.2	32%	0.321	31%	0.312	S	S	.	.			trans	-85.9	151.8	-176.1	-62.1	0	0	0	0	112.9	Q77 N81 L82 T121	Q77-V79 HydrophobicContact CB-CG1 4.32Å; Q77-V79 PolarHBondContact O-N 2.7Å; V79-N81 HydrophobicContact CG2-CB 4.4Å; V79-N81 PolarHBondContact O-N 3.16Å; V79-N81 VanDerWaalsContact O-N 3.12Å; V79-L82 HydrophobicContact CG2-CD1 4.43Å; V79-L82 HydrophobicContact CG2-CG 4.12Å; V79-L82 WeakPolarHBondContact O-CB 3.3Å; V79-L82 PolarHBondContact O-N 3.31Å; V79-T121 VanDerWaalsContact C-CG2 3.42Å
80	P	97.1	Very high	93.7	Very high	75 Å²	75	55.8 Å²	55.8	49%	0.487	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-56	-29.3	-177.8	-29.2	36.5	0	0	0	115.5	L82 L83 T121	P80-L82 PolarHBondContact O-N 3.18Å; P80-L82 VanDerWaalsContact O-N 3.14Å; P80-L83 WeakPolarHBondContact O-CB 3.35Å; P80-L83 PolarHBondContact O-N 2.96Å; P80-T121 HydrophobicContact CB-CG2 4.5Å; P80-T121 HydrophobicContact CG-CG2 4.24Å
81	N	97.1	Very high	94.1	Very high	104 Å²	104	56.5 Å²	56.5	56%	0.556	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-60.1	-23.8	177.6	-61.5	82.1	0	0	0	113.4	V79 L83 E84	V79-N81 HydrophobicContact CG2-CB 4.4Å; V79-N81 PolarHBondContact O-N 3.16Å; V79-N81 VanDerWaalsContact O-N 3.12Å; N81-L83 PolarHBondContact O-N 3.47Å; N81-E84 PolarHBondContact ND2-OE1 2.79Å; N81-E84 PolarHBondContact O-N 2.77Å
82	L	97.8	Very high	94.8	Very high	42 Å²	42	60.2 Å²	60.2	22%	0.22	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-68.6	-11.4	174.7	-63.5	174.3	0	0	0	112.9	W78 V79 P80 T127 T128 L266	W78-L82 HydrophobicContact CE3-CD1 3.84Å; W78-L82 HydrophobicContact CZ3-CD1 4.37Å; V79-L82 HydrophobicContact CG2-CD1 4.43Å; V79-L82 HydrophobicContact CG2-CG 4.12Å; V79-L82 WeakPolarHBondContact O-CB 3.3Å; V79-L82 PolarHBondContact O-N 3.31Å; P80-L82 PolarHBondContact O-N 3.18Å; P80-L82 VanDerWaalsContact O-N 3.14Å; L82-T127 CarbonylContact O-C 3.47Å; L82-T127 WeakPolarHBondContact O-CA 3.32Å; L82-T127 WeakPolarHBondContact O-CB 3.36Å; L82-T128 PolarHBondContact O-N 3.36Å; L82-T128 PolarHBondContact O-OG1 3.33Å; L82-T128 VanDerWaalsContact O-OG1 3.12Å; L82-L266 HydrophobicContact CD1-CD1 4.33Å
83	L	97.9	Very high	95.6	Very high	42 Å²	42	60.5 Å²	60.5	22%	0.22	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-107.8	5.9	-176.5	-70.4	58.4	0	0	0	111.2	T65 P80 N81 P85 T121 Q125 T127	T65-L83 HydrophobicContact CG2-CD1 4.3Å; P80-L83 WeakPolarHBondContact O-CB 3.35Å; P80-L83 PolarHBondContact O-N 2.96Å; N81-L83 PolarHBondContact O-N 3.47Å; L83-P85 WeakPolarHBondContact O-CD 3.29Å; L83-T121 HydrophobicContact CD1-CG2 3.72Å; L83-T121 HydrophobicContact CD2-CG2 3.99Å; L83-Q125 HydrophobicContact CD2-CB 3.83Å; L83-Q125 HydrophobicContact CD2-CG 4.33Å; L83-Q125 HydrophobicContact CG-CB 4.41Å; L83-T127 HydrophobicContact CD1-CG2 4.32Å
84	E	97.7	Very high	96.2	Very high	109 Å²	109	61.7 Å²	61.7	51%	0.509	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-67	118.7	-179.8	-76.3	177.1	-158.4	0	0	110.6	N81 T128	N81-E84 PolarHBondContact ND2-OE1 2.79Å; N81-E84 PolarHBondContact O-N 2.77Å; E84-T128 PolarHBondContact N-OG1 2.99Å; E84-T128 WeakPolarHBondContact O-CB 3.44Å; E84-T128 WeakPolarHBondContact O-CG2 3.38Å; E84-T128 PolarHBondContact O-OG1 2.88Å
85	P	97.1	Very high	96.8	Very high	58 Å²	58	58.1 Å²	58.1	38%	0.377	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-75.1	128.3	-175.8	28.8	-34.4	0	0	0	111.9	L83 M131	L83-P85 WeakPolarHBondContact O-CD 3.29Å; P85-M131 WeakPolarHBondContact CA-SD 3.43Å; P85-M131 HydrophobicContact CB-CE 4.32Å; P85-M131 HydrophobicContact CB-SD 3.64Å
86	P	98.2	Very high	97.5	Very high	22 Å²	22	54.1 Å²	54.1	14%	0.143	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-60.7	142.7	174.4	-17.3	27.8	0	0	0	111.6	H88 T89 T128	P86-H88 VanDerWaalsContact C-N 3.25Å; P86-H88 WeakPolarHBondContact CB-CE1 3.42Å; P86-H88 PolarHBondContact O-N 2.8Å; P86-T89 HydrophobicContact CB-CG2 4.1Å; P86-T89 HydrophobicContact CG-CG2 4.12Å; P86-T89 PolarHBondContact O-N 3.31Å; P86-T89 PolarHBondContact O-OG1 2.83Å; P86-T128 HydrophobicContact CG-CG2 3.79Å
87	A	98.3	Very high	97.7	Very high	83 Å²	83	56 Å²	56	69%	0.686	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-58.5	-35.3	-174.1	0	0	0	0	0	113.5	T89 Q90 Q185	A87-T89 VanDerWaalsContact C-N 3.26Å; A87-T89 PolarHBondContact O-N 2.85Å; A87-Q90 PolarHBondContact O-N 2.97Å; A87-Q185 PolarHBondContact O-NE2 3.29Å
88	H	98.3	Very high	97.8	Very high	61 Å²	61	53.6 Å²	53.6	28%	0.282	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-73.9	-11	179.8	57.4	-84.8	0	0	0	114.2	P86 Q132 Y135 Q185	P86-H88 VanDerWaalsContact C-N 3.25Å; P86-H88 WeakPolarHBondContact CB-CE1 3.42Å; P86-H88 PolarHBondContact O-N 2.8Å; H88-Q132 PolarHBondContact CE1-OE1 3.04Å; H88-Q132 VanDerWaalsContact CE1-OE1 3.3Å; H88-Q132 PolarHBondContact NE2-OE1 3.17Å; H88-Y135 HydrophobicContact CB-CE2 4.18Å; H88-Y135 AromaticContact CD2-CD1 3.73Å; H88-Y135 AromaticContact CD2-CD2 3.61Å; H88-Y135 AromaticContact CD2-CE1 3.73Å; H88-Y135 AromaticContact CD2-CE2 3.6Å; H88-Y135 AromaticContact CD2-CG 3.66Å; H88-Y135 AromaticContact CD2-CZ 3.66Å; H88-Y135 WeakPolarHBondContact O-CE2 3.28Å; H88-Q185 VanDerWaalsContact O-CD 3.25Å; H88-Q185 WeakPolarHBondContact O-CG 3.37Å; H88-Q185 PolarHBondContact O-NE2 3.28Å
89	T	98.2	Very high	97.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-92.4	-4.6	175.6	72.9	0	0	0	0	113	P86 A87 M131 Y135 K176 C177 A180	P86-T89 HydrophobicContact CB-CG2 4.1Å; P86-T89 HydrophobicContact CG-CG2 4.12Å; P86-T89 PolarHBondContact O-N 3.31Å; P86-T89 PolarHBondContact O-OG1 2.83Å; A87-T89 VanDerWaalsContact C-N 3.26Å; A87-T89 PolarHBondContact O-N 2.85Å; T89-M131 HydrophobicContact CG2-CB 4.42Å; T89-Y135 HydrophobicContact CG2-CD2 4.05Å; T89-Y135 HydrophobicContact CG2-CG 4.3Å; T89-K176 VanDerWaalsContact O-CE 3.32Å; T89-K176 WeakPolarHBondContact O-CE 3.2Å; T89-C177 HydrophobicContact CG2-CB 4.46Å; T89-A180 WeakPolarHBondContact O-CB 2.99Å
90	Q	96.9	Very high	97.7	Very high	80 Å²	80	61.9 Å²	61.9	37%	0.374	35%	0.346	S	S	.	.			trans	-84	122.6	-176	-64.3	-70	15.5	0	0	111.7	A87 Q185	A87-Q90 PolarHBondContact O-N 2.97Å; Q90-Q185 PolarHBondContact O-NE2 3.03Å
91	I	97.6	Very high	97.7	Very high	14 Å²	14	59.4 Å²	59.4	7%	0.072	33%	0.334	C	S	.	.			trans	-139.6	155.5	173.4	57.7	175.1	0	0	0	108.7	Y93 K176 V179 A180 Q185 V191	I91-Y93 PolarHBondContact O-N 2.96Å; I91-K176 HydrophobicContact CD1-CG 4Å; I91-K176 WeakPolarHBondContact CD1-O 3.32Å; I91-K176 HydrophobicContact CG1-CD 4.37Å; I91-K176 HydrophobicContact CG1-CG 3.51Å; I91-V179 HydrophobicContact CD1-CB 3.82Å; I91-V179 HydrophobicContact CD1-CG1 3.65Å; I91-A180 HydrophobicContact CD1-CB 4.35Å; I91-A180 HydrophobicContact CG1-CB 4.49Å; I91-A180 HydrophobicContact CG2-CB 3.77Å; I91-Q185 HydrophobicContact CG2-CB 3.94Å; I91-Q185 HydrophobicContact CG2-CG 3.81Å; I91-V191 HydrophobicContact CD1-CG2 4.07Å
92	N	97.4	Very high	97.8	Very high	120 Å²	120	59.8 Å²	59.8	64%	0.642	34%	0.342	S	S	*	.			trans	-74.6	125.5	171.7	-60.5	-31.5	0	0	0	109.3	Q187 M190 V191	N92-Q187 PolarHBondContact O-NE2 3.46Å; N92-M190 HydrophobicContact CB-CG 4.11Å; N92-V191 PolarHBondContact O-N 3.23Å; N92-V191 VanDerWaalsContact O-N 3.09Å
93	Y	98.4	Very high	97.8	Very high	73 Å²	73	62.6 Å²	62.6	29%	0.286	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	160.9	178.9	75	-84.6	0	0	0	110.2	I91 V95 I172 E173 K176 V191 I193	I91-Y93 PolarHBondContact O-N 2.96Å; Y93-V95 HydrophobicContact CD2-CG2 3.97Å; Y93-V95 HydrophobicContact CE2-CG2 3.59Å; Y93-I172 HydrophobicContact CE2-CG2 3.86Å; Y93-E173 PolarHBondContact OH-OE1 2.67Å; Y93-K176 HydrophobicContact CD1-CB 4.45Å; Y93-K176 HydrophobicContact CD1-CD 3.46Å; Y93-K176 VanDerWaalsContact CD1-CD 3.46Å; Y93-K176 HydrophobicContact CD1-CG 3.71Å; Y93-K176 HydrophobicContact CE1-CD 3.32Å; Y93-K176 HydrophobicContact CE1-CG 4.03Å; Y93-K176 HydrophobicContact CG-CD 4.48Å; Y93-K176 HydrophobicContact CG-CG 4.32Å; Y93-V191 CarbonylContact C-O 3.57Å; Y93-V191 VanDerWaalsContact CA-O 3.23Å; Y93-V191 WeakPolarHBondContact CA-O 3.39Å; Y93-V191 VanDerWaalsContact CB-O 3.32Å; Y93-V191 WeakPolarHBondContact CB-O 3.41Å; Y93-I193 HydrophobicContact CD2-CD1 3.65Å; Y93-I193 HydrophobicContact CD2-CG1 4.29Å; Y93-I193 HydrophobicContact CE2-CD1 4.27Å; Y93-I193 HydrophobicContact CG-CD1 4.11Å
94	V	98.4	Very high	97.8	Very high	57 Å²	57	61.5 Å²	61.5	35%	0.345	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.7	173.8	62.7	0	0	0	0	108.6	T96 M190 V191 P192 I193	V94-T96 HydrophobicContact CG1-CG2 4.44Å; V94-T96 HydrophobicContact CG2-CG2 4.11Å; V94-M190 HydrophobicContact CB-SD 4.49Å; V94-M190 HydrophobicContact CG1-CB 4.42Å; V94-V191 PolarHBondContact N-O 3.14Å; V94-P192 HydrophobicContact CG1-CB 4.35Å; V94-I193 PolarHBondContact O-N 3.22Å
95	V	98.7	Very high	97.7	Very high	22 Å²	22	60.5 Å²	60.5	13%	0.133	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.1	174.8	-170	0	0	0	0	108.4	Y93 R103 I172 I193 T195	Y93-V95 HydrophobicContact CD2-CG2 3.97Å; Y93-V95 HydrophobicContact CE2-CG2 3.59Å; V95-R103 HydrophobicContact CB-CB 4.45Å; V95-R103 HydrophobicContact CB-CG 4.28Å; V95-R103 HydrophobicContact CG1-CB 4.28Å; V95-R103 HydrophobicContact CG1-CG 3.72Å; V95-I172 HydrophobicContact CG1-CD1 4.13Å; V95-I172 HydrophobicContact CG2-CD1 4.48Å; V95-I172 HydrophobicContact CG2-CG2 3.76Å; V95-I193 WeakPolarHBondContact CA-O 3.49Å; V95-T195 HydrophobicContact CG1-CG2 3.59Å
96	T	98.6	Very high	97.6	Very high	13 Å²	13	58.4 Å²	58.4	8%	0.08	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	171.6	-177.7	61.1	0	0	0	0	110.3	V94 G101 I193 L194 T195	V94-T96 HydrophobicContact CG1-CG2 4.44Å; V94-T96 HydrophobicContact CG2-CG2 4.11Å; T96-G101 WeakPolarHBondContact CA-O 3.47Å; T96-G101 WeakPolarHBondContact CB-O 3.34Å; T96-G101 WeakPolarHBondContact CG2-O 3.41Å; T96-I193 PolarHBondContact N-O 3.48Å; T96-L194 WeakPolarHBondContact OG1-CD2 3.42Å; T96-T195 PolarHBondContact O-N 3.36Å; T96-T195 PolarHBondContact O-OG1 3.23Å
97	D	98.5	Very high	97.4	Very high	43 Å²	43	60.2 Å²	60.2	23%	0.23	35%	0.349	C	S	.	.			trans	-66.3	-177.2	159	65.6	32.5	0	0	0	111.1	E99 G100 G101 P102 P104 T195	D97-E99 PolarHBondContact O-N 3.2Å; D97-E99 WeakPolarHBondContact OD1-CA 3.19Å; D97-E99 PolarHBondContact OD1-N 3.46Å; D97-G100 PolarHBondContact O-N 2.86Å; D97-G100 PolarHBondContact OD1-N 3.15Å; D97-G101 PolarHBondContact N-O 3.26Å; D97-G101 WeakPolarHBondContact OD1-CA 3.15Å; D97-G101 PolarHBondContact OD1-N 3.47Å; D97-G101 VanDerWaalsContact OD2-CA 3.29Å; D97-G101 WeakPolarHBondContact OD2-CA 3.05Å; D97-P102 PolarHBondContact N-O 2.7Å; D97-P104 HydrophobicContact CB-CG 3.97Å; D97-T195 CarbonylContact C-O 3.53Å; D97-T195 VanDerWaalsContact C-O 3.29Å; D97-T195 VanDerWaalsContact CA-O 3.25Å; D97-T195 WeakPolarHBondContact CA-O 3.47Å
98	L	97.5	Very high	97.1	Very high	55 Å²	55	57.6 Å²	57.6	29%	0.288	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-19	-179.2	-61	-177.1	0	0	0	113.9	R164 L194 T195	L98-R164 HydrophobicContact CD2-CG 4.36Å; L98-L194 HydrophobicContact CD2-CB 4.07Å; L98-T195 WeakPolarHBondContact CD2-O 3.48Å; L98-T195 WeakPolarHBondContact CG-O 3.38Å; L98-T195 PolarHBondContact N-O 3.15Å; L98-T195 VanDerWaalsContact N-O 3.14Å
99	E	96.6	Very high	96.8	Very high	178 Å²	178	55 Å²	55	83%	0.832	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	3.5	-178.7	-57.1	-54.8	139.3	0	0	112.5	D97	D97-E99 PolarHBondContact O-N 3.2Å; D97-E99 WeakPolarHBondContact OD1-CA 3.19Å; D97-E99 PolarHBondContact OD1-N 3.46Å
100	G	95.9	Very high	96.6	Very high	48 Å²	48	59.9 Å²	59.9	50%	0.495	34%	0.338	S	S	.	.	S	Bend	trans	84.8	9.9	-178.4	0	0	0	0	0	114.5	D97	D97-G100 PolarHBondContact O-N 2.86Å; D97-G100 PolarHBondContact OD1-N 3.15Å
101	G	97.7	Very high	96.5	Very high	23 Å²	23	59.6 Å²	59.6	24%	0.237	35%	0.345	C	S	.	.			trans	-80.1	-168.9	173.9	0	0	0	0	0	113.8	T96 D97	T96-G101 WeakPolarHBondContact CA-O 3.47Å; T96-G101 WeakPolarHBondContact CB-O 3.34Å; T96-G101 WeakPolarHBondContact CG2-O 3.41Å; D97-G101 PolarHBondContact N-O 3.26Å; D97-G101 WeakPolarHBondContact OD1-CA 3.15Å; D97-G101 PolarHBondContact OD1-N 3.47Å; D97-G101 VanDerWaalsContact OD2-CA 3.29Å; D97-G101 WeakPolarHBondContact OD2-CA 3.05Å
102	P	98.1	Very high	96.2	Very high	112 Å²	112	61.2 Å²	61.2	73%	0.727	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-57.1	144.5	-179.7	-23.5	34.3	0	0	0	113	D97 P104	D97-P102 PolarHBondContact N-O 2.7Å; P102-P104 WeakPolarHBondContact O-CD 3.32Å
103	R	97.9	Very high	96.1	Very high	101 Å²	101	59.9 Å²	59.9	38%	0.381	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-56.6	127	173.2	-177.7	-176.1	177.5	178.8	-5.7	110.4	V95 N167 I172	V95-R103 HydrophobicContact CB-CB 4.45Å; V95-R103 HydrophobicContact CB-CG 4.28Å; V95-R103 HydrophobicContact CG1-CB 4.28Å; V95-R103 HydrophobicContact CG1-CG 3.72Å; R103-N167 VanDerWaalsContact CZ-OD1 3.26Å; R103-N167 PolarHBondContact NE-OD1 3.31Å; R103-N167 PolarHBondContact NH2-OD1 3.05Å; R103-I172 VanDerWaalsContact NH2-CD1 3.31Å
104	P	97.4	Very high	95.9	Very high	20 Å²	20	60.1 Å²	60.1	13%	0.13	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-63.6	164.5	174.4	-21.1	32.7	0	0	0	113	D97 P102 N167 T195 E197	D97-P104 HydrophobicContact CB-CG 3.97Å; P102-P104 WeakPolarHBondContact O-CD 3.32Å; P104-N167 PolarHBondContact O-ND2 3.18Å; P104-T195 WeakPolarHBondContact CD-OG1 3.29Å; P104-E197 HydrophobicContact CB-CG 3.79Å; P104-E197 HydrophobicContact CG-CG 4.35Å
105	S	96.1	Very high	95.7	Very high	88 Å²	88	62.3 Å²	62.3	62%	0.615	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-63.2	152.7	172.1	64.5	0	0	0	0	111.4	N167	S105-N167 PolarHBondContact O-ND2 3.36Å
106	S	95.3	Very high	95.5	Very high	14 Å²	14	66.9 Å²	66.9	10%	0.098	39%	0.386	C	S	.	.			trans	-125.3	78.4	179.8	-175.5	0	0	0	0	111.4	V108 E109 D110 N167	S106-V108 PolarHBondContact O-N 2.7Å; S106-E109 PolarHBondContact O-N 2.56Å; S106-E109 VanDerWaalsContact O-N 3.12Å; S106-E109 WeakPolarHBondContact OG-CB 3.42Å; S106-E109 PolarHBondContact OG-N 3.13Å; S106-D110 VanDerWaalsContact O-CG 3.28Å; S106-D110 PolarHBondContact O-N 2.81Å; S106-N167 VanDerWaalsContact CB-O 3.3Å; S106-N167 WeakPolarHBondContact CB-O 3.31Å; S106-N167 PolarHBondContact OG-O 2.86Å
107	P	94.4	Very high	95.3	Very high	60 Å²	60	67 Å²	67	39%	0.39	39%	0.386	S	S	.	.	H	α-helix	trans	-62.1	-28.5	-178.8	24.3	-34.1	0	0	0	112.8	S111 A198	P107-S111 WeakPolarHBondContact O-CB 3.29Å; P107-S111 PolarHBondContact O-N 3.44Å; P107-A198 HydrophobicContact CG-CB 4.18Å
108	V	91.4	Very high	95.2	Very high	27 Å²	27	67.1 Å²	67.1	16%	0.164	39%	0.388	C	S	.	.	H	α-helix	trans	-69	-42.5	176.8	-179.9	0	0	0	0	111	S106 S111 Y112 I168	S106-V108 PolarHBondContact O-N 2.7Å; V108-S111 PolarHBondContact O-N 2.83Å; V108-Y112 HydrophobicContact CG1-CD2 4.4Å; V108-Y112 HydrophobicContact CG1-CE2 3.57Å; V108-Y112 VanDerWaalsContact O-CD2 3.27Å; V108-Y112 WeakPolarHBondContact O-CD2 3.31Å; V108-Y112 PolarHBondContact O-N 2.85Å; V108-I168 HydrophobicContact CB-CD1 4.35Å; V108-I168 HydrophobicContact CB-CG1 4.47Å; V108-I168 HydrophobicContact CG1-CD1 3.75Å; V108-I168 HydrophobicContact CG1-CG1 4.29Å
109	E	92.7	Very high	95	Very high	6 Å²	6	65.8 Å²	65.8	3%	0.028	39%	0.387	C	S	.	.	H	α-helix	trans	-65.5	-43.7	174.8	-177	67.3	-156.3	0	0	111.2	S106 S111 Y112 R113 Q125 I168 V169	S106-E109 PolarHBondContact O-N 2.56Å; S106-E109 VanDerWaalsContact O-N 3.12Å; S106-E109 WeakPolarHBondContact OG-CB 3.42Å; S106-E109 PolarHBondContact OG-N 3.13Å; E109-S111 VanDerWaalsContact C-N 3.26Å; E109-S111 PolarHBondContact O-N 2.79Å; E109-Y112 PolarHBondContact O-N 2.84Å; E109-Y112 VanDerWaalsContact O-N 3.11Å; E109-R113 WeakPolarHBondContact O-CG 3.14Å; E109-R113 PolarHBondContact O-N 3.49Å; E109-R113 IonicContact OE1-CZ 3.88Å; E109-R113 IonicContact OE1-NE 2.68Å; E109-R113 PolarHBondContact OE1-NE 3.02Å; E109-R113 IonicContact OE1-NH2 2.88Å; E109-R113 PolarHBondContact OE1-NH2 3.18Å; E109-Q125 PolarHBondContact OE1-NE2 2.93Å; E109-I168 WeakPolarHBondContact OE2-CG2 3.38Å; E109-V169 VanDerWaalsContact CD-CG2 3.47Å; E109-V169 HydrophobicContact CG-CG2 3.81Å; E109-V169 PolarHBondContact OE2-N 2.63Å
110	D	93.6	Very high	95	Very high	104 Å²	104	59.5 Å²	59.5	56%	0.556	37%	0.37	S	S	*	.	H	α-helix	trans	-58.9	-40.6	177.4	-64.5	-25.8	0	0	0	111.2	S106 Y112 R113 A114	S106-D110 VanDerWaalsContact O-CG 3.28Å; S106-D110 PolarHBondContact O-N 2.81Å; D110-Y112 PolarHBondContact O-N 2.89Å; D110-R113 PolarHBondContact O-N 2.95Å; D110-A114 PolarHBondContact O-N 3.22Å; D110-A114 VanDerWaalsContact O-N 3.12Å
111	S	93.9	Very high	95	Very high	74 Å²	74	57.4 Å²	57.4	52%	0.517	35%	0.348	S	S	.	.	H	α-helix	trans	-62.3	-38.9	175.6	-177.9	0	0	0	0	113	P107 V108 E109 A114	P107-S111 WeakPolarHBondContact O-CB 3.29Å; P107-S111 PolarHBondContact O-N 3.44Å; V108-S111 PolarHBondContact O-N 2.83Å; E109-S111 VanDerWaalsContact C-N 3.26Å; E109-S111 PolarHBondContact O-N 2.79Å; S111-A114 WeakPolarHBondContact O-CB 3.41Å; S111-A114 PolarHBondContact O-N 3.42Å
112	Y	92.6	Very high	95	Very high	47 Å²	47	60.4 Å²	60.4	18%	0.184	35%	0.353	C	S	.	.	H	α-helix	trans	-66.6	-41.8	174.9	-60.9	-37.9	0	0	0	111.4	L67 V108 E109 D110 A114 N115 P123 I168 R170	L67-Y112 HydrophobicContact CD2-CD1 4.16Å; L67-Y112 HydrophobicContact CD2-CE1 3.7Å; L67-Y112 HydrophobicContact CD2-CE2 4.3Å; V108-Y112 HydrophobicContact CG1-CD2 4.4Å; V108-Y112 HydrophobicContact CG1-CE2 3.57Å; V108-Y112 VanDerWaalsContact O-CD2 3.27Å; V108-Y112 WeakPolarHBondContact O-CD2 3.31Å; V108-Y112 PolarHBondContact O-N 2.85Å; E109-Y112 PolarHBondContact O-N 2.84Å; E109-Y112 VanDerWaalsContact O-N 3.11Å; D110-Y112 PolarHBondContact O-N 2.89Å; Y112-A114 PolarHBondContact O-N 3.46Å; Y112-N115 PolarHBondContact O-N 3.25Å; Y112-P123 WeakPolarHBondContact O-CD 3.39Å; Y112-I168 HydrophobicContact CE2-CG2 4.19Å; Y112-R170 PolarHBondContact OH-NH2 3.33Å
113	R	93.9	Very high	94.9	Very high	92 Å²	92	55.4 Å²	55.4	35%	0.347	32%	0.32	S	S	.	.	H	α-helix	trans	-70.8	-11.9	-179.1	-68.3	179	-177.9	-80.1	-13.3	114.2	E109 D110 N115 Y122	E109-R113 WeakPolarHBondContact O-CG 3.14Å; E109-R113 PolarHBondContact O-N 3.49Å; E109-R113 IonicContact OE1-CZ 3.88Å; E109-R113 IonicContact OE1-NE 2.68Å; E109-R113 PolarHBondContact OE1-NE 3.02Å; E109-R113 IonicContact OE1-NH2 2.88Å; E109-R113 PolarHBondContact OE1-NH2 3.18Å; D110-R113 PolarHBondContact O-N 2.95Å; R113-N115 PolarHBondContact O-N 2.82Å; R113-Y122 HydrophobicContact CB-CD1 4.31Å; R113-Y122 HydrophobicContact CG-CD1 4.41Å; R113-Y122 HydrophobicContact CG-CD2 4.46Å; R113-Y122 HydrophobicContact CG-CG 4.23Å
114	A	94.9	Very high	94.9	Very high	78 Å²	78	50.6 Å²	50.6	65%	0.645	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-14.6	173.2	0	0	0	0	0	113.6	D110 S111 Y112	D110-A114 PolarHBondContact O-N 3.22Å; D110-A114 VanDerWaalsContact O-N 3.12Å; S111-A114 WeakPolarHBondContact O-CB 3.41Å; S111-A114 PolarHBondContact O-N 3.42Å; Y112-A114 PolarHBondContact O-N 3.46Å
115	N	93.8	Very high	94.9	Very high	103 Å²	103	50.2 Å²	50.2	55%	0.551	30%	0.299	S	S	*	.	S	Bend	trans	-124.1	147.4	-179.7	-60.9	-80	0	0	0	110.7	Y112 R113 Y122 P123	Y112-N115 PolarHBondContact O-N 3.25Å; R113-N115 PolarHBondContact O-N 2.82Å; N115-Y122 WeakPolarHBondContact O-CD1 3.34Å; N115-P123 HydrophobicContact CB-CG 4.15Å; N115-P123 WeakPolarHBondContact O-CD 3.18Å
116	I	95	Very high	95.1	Very high	119 Å²	119	46.5 Å²	46.5	61%	0.61	27%	0.272	S	S	*	.			trans	-114.7	128.5	176	-63.7	172.7	0	0	0	108.1	Y122	I116-Y122 HydrophobicContact CG1-CD1 4.2Å; I116-Y122 HydrophobicContact CG1-CE1 3.88Å
117	L	95.3	Very high	95.2	Very high	16 Å²	16	45.8 Å²	45.8	8%	0.084	27%	0.267	C	S	.	.			trans	-75.9	152.7	172.2	-62.7	177.9	0	0	0	110.2	T65 P66 W78 G119 G120 T121 P123	T65-L117 HydrophobicContact CG2-CD1 4.39Å; P66-L117 HydrophobicContact CG-CD1 4.1Å; W78-L117 HydrophobicContact CB-CB 4.24Å; W78-L117 HydrophobicContact CB-CD1 4.22Å; W78-L117 HydrophobicContact CG-CD1 4.03Å; L117-G119 PolarHBondContact O-N 2.99Å; L117-G120 PolarHBondContact O-N 3.3Å; L117-T121 PolarHBondContact N-O 2.72Å; L117-P123 HydrophobicContact CD2-CG 4.02Å; L117-P123 HydrophobicContact CG-CG 4.07Å
118	T	94.8	Very high	95.5	Very high	45 Å²	45	45 Å²	45	28%	0.276	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	127.6	170	-45.4	0	0	0	0	109.6	E75 Q77 W78	E75-T118 HydrophobicContact CB-CG2 4.16Å; E75-T118 PolarHBondContact OE2-OG1 2.84Å; Q77-T118 VanDerWaalsContact NE2-CG2 3.25Å; W78-T118 PolarHBondContact N-O 2.94Å
119	G	94.3	Very high	95.8	Very high	26 Å²	26	46.4 Å²	46.4	27%	0.268	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.6	-13.3	-170.7	0	0	0	0	0	114.7	W78 L117	W78-G119 CarbonylContact O-C 3.44Å; L117-G119 PolarHBondContact O-N 2.99Å
120	G	95.3	Very high	96.1	Very high	46 Å²	46	46.1 Å²	46.1	47%	0.474	27%	0.268	S	S	.	.	S	Bend	trans	97.7	10.2	167.8	0	0	0	0	0	116	L117	L117-G120 PolarHBondContact O-N 3.3Å
121	T	96.4	Very high	96.4	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.025	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-98.1	171.5	172.6	58.1	0	0	0	0	111.9	W78 V79 P80 L83 L117	W78-T121 WeakPolarHBondContact CB-OG1 3.37Å; W78-T121 WeakPolarHBondContact O-CB 3.25Å; W78-T121 WeakPolarHBondContact O-CG2 3.44Å; W78-T121 PolarHBondContact O-N 2.85Å; W78-T121 PolarHBondContact O-OG1 2.86Å; V79-T121 VanDerWaalsContact C-CG2 3.42Å; P80-T121 HydrophobicContact CB-CG2 4.5Å; P80-T121 HydrophobicContact CG-CG2 4.24Å; L83-T121 HydrophobicContact CD1-CG2 3.72Å; L83-T121 HydrophobicContact CD2-CG2 3.99Å; L117-T121 PolarHBondContact N-O 2.72Å
122	Y	97.2	Very high	96.6	Very high	87 Å²	87	40.7 Å²	40.7	34%	0.341	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-92.1	157.8	175.2	-56.6	-71.3	0	0	0	111.7	T65 R113 N115 I116 Q125	T65-Y122 PolarHBondContact OG1-O 3.29Å; R113-Y122 HydrophobicContact CB-CD1 4.31Å; R113-Y122 HydrophobicContact CG-CD1 4.41Å; R113-Y122 HydrophobicContact CG-CD2 4.46Å; R113-Y122 HydrophobicContact CG-CG 4.23Å; N115-Y122 WeakPolarHBondContact O-CD1 3.34Å; I116-Y122 HydrophobicContact CG1-CD1 4.2Å; I116-Y122 HydrophobicContact CG1-CE1 3.88Å; Y122-Q125 VanDerWaalsContact O-CG 3.25Å; Y122-Q125 WeakPolarHBondContact O-CG 3.49Å
123	P	97.4	Very high	96.9	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.039	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	148.4	166.3	-24.1	32.1	0	0	0	113.4	P66 Y112 N115 L117 Q125	P66-P123 VanDerWaalsContact O-CA 3.23Å; P66-P123 WeakPolarHBondContact O-CA 3.41Å; P66-P123 WeakPolarHBondContact O-CB 3.37Å; Y112-P123 WeakPolarHBondContact O-CD 3.39Å; N115-P123 HydrophobicContact CB-CG 4.15Å; N115-P123 WeakPolarHBondContact O-CD 3.18Å; L117-P123 HydrophobicContact CD2-CG 4.02Å; L117-P123 HydrophobicContact CG-CG 4.07Å; P123-Q125 VanDerWaalsContact C-N 3.27Å; P123-Q125 PolarHBondContact O-N 3.41Å; P123-Q125 PolarHBondContact O-NE2 3.49Å
124	G	97.7	Very high	97.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	21.3	169.9	0	0	0	0	0	116.4	T65 P66 R170	T65-G124 WeakPolarHBondContact O-CA 3.43Å; T65-G124 PolarHBondContact O-N 2.9Å; T65-G124 PolarHBondContact OG1-N 2.82Å; P66-G124 PolarHBondContact O-N 3.41Å; G124-R170 VanDerWaalsContact O-CD 3.31Å; G124-R170 WeakPolarHBondContact O-CD 3.47Å; G124-R170 PolarHBondContact O-NH1 3.19Å
125	Q	98.2	Very high	97.3	Very high	13 Å²	13	33.8 Å²	33.8	6%	0.061	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-88.2	133.6	-178.2	-57.2	-58.2	-68.1	0	0	110.7	R64 T65 L83 E109 Y122 P123 T127	R64-Q125 CarbonylContact C-O 3.59Å; R64-Q125 WeakPolarHBondContact CA-O 3.42Å; R64-Q125 WeakPolarHBondContact CB-O 3.29Å; T65-Q125 HydrophobicContact CG2-CB 4.36Å; T65-Q125 PolarHBondContact N-O 3.23Å; T65-Q125 PolarHBondContact OG1-N 3.1Å; L83-Q125 HydrophobicContact CD2-CB 3.83Å; L83-Q125 HydrophobicContact CD2-CG 4.33Å; L83-Q125 HydrophobicContact CG-CB 4.41Å; E109-Q125 PolarHBondContact OE1-NE2 2.93Å; Y122-Q125 VanDerWaalsContact O-CG 3.25Å; Y122-Q125 WeakPolarHBondContact O-CG 3.49Å; P123-Q125 VanDerWaalsContact C-N 3.27Å; P123-Q125 PolarHBondContact O-N 3.41Å; P123-Q125 PolarHBondContact O-NE2 3.49Å; Q125-T127 PolarHBondContact O-N 3.24Å
126	L	98.8	Very high	97.6	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.047	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-63.6	133.8	175.6	-170	74	0	0	0	109.9	A63 M131 R170 E173 S174	A63-L126 WeakPolarHBondContact O-CD1 3.33Å; L126-M131 HydrophobicContact CD2-CE 4.37Å; L126-M131 HydrophobicContact CD2-CG 3.57Å; L126-M131 HydrophobicContact CG-CG 4Å; L126-R170 HydrophobicContact CB-CB 3.99Å; L126-E173 HydrophobicContact CD2-CB 3.56Å; L126-S174 WeakPolarHBondContact CD1-OG 3.35Å
127	T	98.8	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-100.7	169	179.9	62.1	0	0	0	0	111.7	A63 T65 L82 L83 Q125 V129 G130 M131 H264	A63-T127 PolarHBondContact O-N 2.88Å; A63-T127 VanDerWaalsContact O-N 3.1Å; A63-T127 PolarHBondContact O-OG1 2.92Å; A63-T127 VanDerWaalsContact O-OG1 3.11Å; T65-T127 HydrophobicContact CG2-CG2 4.25Å; L82-T127 CarbonylContact O-C 3.47Å; L82-T127 WeakPolarHBondContact O-CA 3.32Å; L82-T127 WeakPolarHBondContact O-CB 3.36Å; L83-T127 HydrophobicContact CD1-CG2 4.32Å; Q125-T127 PolarHBondContact O-N 3.24Å; T127-V129 PolarHBondContact O-N 3.4Å; T127-G130 WeakPolarHBondContact O-CA 3.45Å; T127-G130 PolarHBondContact O-N 3.04Å; T127-G130 PolarHBondContact OG1-N 2.8Å; T127-M131 WeakPolarHBondContact O-CG 3.27Å; T127-M131 PolarHBondContact O-N 2.94Å; T127-H264 VanDerWaalsContact CB-NE2 3.29Å; T127-H264 WeakPolarHBondContact CB-NE2 3.41Å; T127-H264 WeakPolarHBondContact CG2-NE2 3.47Å; T127-H264 PolarHBondContact OG1-NE2 2.82Å
128	T	98.8	Very high	97.9	Very high	44 Å²	44	27.6 Å²	27.6	27%	0.27	16%	0.156	S	C	.	.	H	α-helix	trans	-50.2	-40.9	170.6	-49.1	0	0	0	0	111.9	L82 E84 P86 M131 Q132	L82-T128 PolarHBondContact O-N 3.36Å; L82-T128 PolarHBondContact O-OG1 3.33Å; L82-T128 VanDerWaalsContact O-OG1 3.12Å; E84-T128 PolarHBondContact N-OG1 2.99Å; E84-T128 WeakPolarHBondContact O-CB 3.44Å; E84-T128 WeakPolarHBondContact O-CG2 3.38Å; E84-T128 PolarHBondContact O-OG1 2.88Å; P86-T128 HydrophobicContact CG-CG2 3.79Å; T128-M131 PolarHBondContact O-N 3.02Å; T128-Q132 WeakPolarHBondContact O-CB 3.46Å; T128-Q132 PolarHBondContact O-N 3.26Å
129	V	98.9	Very high	98.1	Very high	56 Å²	56	28.6 Å²	28.6	34%	0.339	16%	0.157	S	C	.	.	H	α-helix	trans	-62.7	-45.3	176.5	175.9	0	0	0	0	110.4	A63 T127 Q132 Q133 T263	A63-V129 HydrophobicContact CB-CB 4.23Å; A63-V129 HydrophobicContact CB-CG1 3.91Å; T127-V129 PolarHBondContact O-N 3.4Å; V129-Q132 PolarHBondContact O-N 2.92Å; V129-Q133 VanDerWaalsContact O-CG 3.31Å; V129-Q133 WeakPolarHBondContact O-CG 3.38Å; V129-Q133 PolarHBondContact O-N 2.88Å; V129-T263 HydrophobicContact CG1-CG2 3.96Å
130	G	98.9	Very high	98.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.9	-39.8	177.4	0	0	0	0	0	113.4	A63 T127 Q132 Q133 L134	A63-G130 WeakPolarHBondContact O-CA 3.45Å; T127-G130 WeakPolarHBondContact O-CA 3.45Å; T127-G130 PolarHBondContact O-N 3.04Å; T127-G130 PolarHBondContact OG1-N 2.8Å; G130-Q132 VanDerWaalsContact C-N 3.32Å; G130-Q132 PolarHBondContact O-N 3.44Å; G130-Q133 PolarHBondContact O-N 3.36Å; G130-L134 WeakPolarHBondContact O-CD2 3.31Å; G130-L134 PolarHBondContact O-N 3.12Å; G130-L134 VanDerWaalsContact O-N 3.13Å
131	M	98.9	Very high	98.5	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.049	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-43	174.8	-66.2	173.2	-166.8	0	0	111.2	P85 T89 L126 T127 T128 L134 Y135 C177	P85-M131 WeakPolarHBondContact CA-SD 3.43Å; P85-M131 HydrophobicContact CB-CE 4.32Å; P85-M131 HydrophobicContact CB-SD 3.64Å; T89-M131 HydrophobicContact CG2-CB 4.42Å; L126-M131 HydrophobicContact CD2-CE 4.37Å; L126-M131 HydrophobicContact CD2-CG 3.57Å; L126-M131 HydrophobicContact CG-CG 4Å; T127-M131 WeakPolarHBondContact O-CG 3.27Å; T127-M131 PolarHBondContact O-N 2.94Å; T128-M131 PolarHBondContact O-N 3.02Å; M131-L134 PolarHBondContact O-N 3.34Å; M131-Y135 PolarHBondContact O-N 2.96Å; M131-C177 WeakPolarHBondContact O-CB 3.45Å
132	Q	98.9	Very high	98.6	Very high	53 Å²	53	31 Å²	31	25%	0.248	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-45	176.3	-177.5	57.8	36.2	0	0	112.1	H88 T128 V129 G130 L134 Y135 E136	H88-Q132 PolarHBondContact CE1-OE1 3.04Å; H88-Q132 VanDerWaalsContact CE1-OE1 3.3Å; H88-Q132 PolarHBondContact NE2-OE1 3.17Å; T128-Q132 WeakPolarHBondContact O-CB 3.46Å; T128-Q132 PolarHBondContact O-N 3.26Å; V129-Q132 PolarHBondContact O-N 2.92Å; G130-Q132 VanDerWaalsContact C-N 3.32Å; G130-Q132 PolarHBondContact O-N 3.44Å; Q132-L134 PolarHBondContact O-N 3.13Å; Q132-Y135 WeakPolarHBondContact O-CB 3.34Å; Q132-Y135 PolarHBondContact O-N 3.28Å; Q132-Y135 VanDerWaalsContact O-N 3.17Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.49Å; Q132-E136 PolarHBondContact NE2-OE1 3.44Å; Q132-E136 WeakPolarHBondContact O-CG 3.45Å; Q132-E136 PolarHBondContact O-N 3.49Å
133	Q	98.9	Very high	98.7	Very high	48 Å²	48	32.2 Å²	32.2	22%	0.224	15%	0.151	C	C	.	.	H	α-helix	trans	-56.4	-39.6	176.2	-72.8	169.2	-18.9	0	0	112.4	V129 G130 E136 L137 A357	V129-Q133 VanDerWaalsContact O-CG 3.31Å; V129-Q133 WeakPolarHBondContact O-CG 3.38Å; V129-Q133 PolarHBondContact O-N 2.88Å; G130-Q133 PolarHBondContact O-N 3.36Å; Q133-E136 PolarHBondContact O-N 2.75Å; Q133-L137 PolarHBondContact O-N 3.26Å; Q133-A357 HydrophobicContact CB-CB 3.75Å
134	L	98.9	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-75.6	-35.2	179.6	-87.4	-53.9	0	0	0	112.3	F59 G130 M131 Q132 E136 L137 G138 C177 L178 A357	F59-L134 HydrophobicContact CD2-CD1 3.68Å; F59-L134 HydrophobicContact CE2-CD1 3.93Å; G130-L134 WeakPolarHBondContact O-CD2 3.31Å; G130-L134 PolarHBondContact O-N 3.12Å; G130-L134 VanDerWaalsContact O-N 3.13Å; M131-L134 PolarHBondContact O-N 3.34Å; Q132-L134 PolarHBondContact O-N 3.13Å; L134-E136 VanDerWaalsContact C-N 3.32Å; L134-L137 HydrophobicContact CD1-CD2 3.87Å; L134-L137 WeakPolarHBondContact O-CB 3.17Å; L134-L137 PolarHBondContact O-N 2.89Å; L134-G138 PolarHBondContact O-N 3.41Å; L134-C177 HydrophobicContact CB-CB 3.8Å; L134-L178 HydrophobicContact CB-CB 4.43Å; L134-L178 HydrophobicContact CD1-CB 4.4Å; L134-L178 HydrophobicContact CD1-CD1 4.42Å; L134-L178 VanDerWaalsContact O-CA 3.29Å; L134-L178 WeakPolarHBondContact O-CA 3.36Å; L134-A357 HydrophobicContact CD1-CB 4.18Å; L134-A357 HydrophobicContact CD2-CB 3.82Å
135	Y	98.9	Very high	98.8	Very high	24 Å²	24	35.1 Å²	35.1	9%	0.094	16%	0.161	C	C	.	.	H	α-helix	trans	-58.4	-46.8	170.5	-174	-89.9	0	0	0	111	H88 T89 M131 Q132 L137 G138 E139 C177 A180 G181 Y184	H88-Y135 HydrophobicContact CB-CE2 4.18Å; H88-Y135 AromaticContact CD2-CD1 3.73Å; H88-Y135 AromaticContact CD2-CD2 3.61Å; H88-Y135 AromaticContact CD2-CE1 3.73Å; H88-Y135 AromaticContact CD2-CE2 3.6Å; H88-Y135 AromaticContact CD2-CG 3.66Å; H88-Y135 AromaticContact CD2-CZ 3.66Å; H88-Y135 WeakPolarHBondContact O-CE2 3.28Å; T89-Y135 HydrophobicContact CG2-CD2 4.05Å; T89-Y135 HydrophobicContact CG2-CG 4.3Å; M131-Y135 PolarHBondContact O-N 2.96Å; Q132-Y135 WeakPolarHBondContact O-CB 3.34Å; Q132-Y135 PolarHBondContact O-N 3.28Å; Q132-Y135 VanDerWaalsContact O-N 3.17Å; Y135-L137 PolarHBondContact O-N 3.47Å; Y135-G138 CarbonylContact O-C 3.53Å; Y135-G138 VanDerWaalsContact O-CA 3.27Å; Y135-G138 WeakPolarHBondContact O-CA 3.47Å; Y135-G138 PolarHBondContact O-N 3.25Å; Y135-E139 HydrophobicContact CD1-CG 3.86Å; Y135-E139 HydrophobicContact CE1-CG 3.64Å; Y135-E139 WeakPolarHBondContact O-CG 3.4Å; Y135-E139 PolarHBondContact O-N 2.89Å; Y135-C177 WeakPolarHBondContact CA-O 3.42Å; Y135-A180 HydrophobicContact CD2-CB 4.19Å; Y135-A180 HydrophobicContact CE2-CB 4.36Å; Y135-G181 VanDerWaalsContact CD2-N 3.31Å; Y135-Y184 WeakPolarHBondContact OH-CD1 3.28Å
136	E	98.9	Very high	98.8	Very high	100 Å²	100	35.5 Å²	35.5	47%	0.467	16%	0.163	S	C	.	.	H	α-helix	trans	-63.5	-38	177.4	-72	166.7	-171.7	0	0	112.8	Q132 Q133 L134 G138 E139 R140	Q132-E136 WeakPolarHBondContact CG-OE1 3.49Å; Q132-E136 PolarHBondContact NE2-OE1 3.44Å; Q132-E136 WeakPolarHBondContact O-CG 3.45Å; Q132-E136 PolarHBondContact O-N 3.49Å; Q133-E136 PolarHBondContact O-N 2.75Å; L134-E136 VanDerWaalsContact C-N 3.32Å; E136-G138 VanDerWaalsContact C-N 3.3Å; E136-G138 PolarHBondContact O-N 2.78Å; E136-E139 PolarHBondContact O-N 3.19Å; E136-R140 PolarHBondContact O-N 2.82Å
137	L	98.9	Very high	98.7	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-46.1	168.7	173.2	56.9	0	0	0	110.4	F59 Q133 L134 Y135 E139 R140 L141 L178 D359	F59-L137 HydrophobicContact CB-CD2 3.96Å; F59-L137 HydrophobicContact CD2-CD2 4.48Å; F59-L137 HydrophobicContact CG-CD2 4.26Å; Q133-L137 PolarHBondContact O-N 3.26Å; L134-L137 HydrophobicContact CD1-CD2 3.87Å; L134-L137 WeakPolarHBondContact O-CB 3.17Å; L134-L137 PolarHBondContact O-N 2.89Å; Y135-L137 PolarHBondContact O-N 3.47Å; L137-E139 PolarHBondContact O-N 3.35Å; L137-R140 WeakPolarHBondContact O-CB 3.28Å; L137-R140 PolarHBondContact O-N 2.98Å; L137-L141 HydrophobicContact CD1-CG 4.41Å; L137-L141 WeakPolarHBondContact O-CG 3.42Å; L137-L141 PolarHBondContact O-N 2.87Å; L137-L178 HydrophobicContact CD2-CD1 3.66Å; L137-L178 HydrophobicContact CG-CD1 3.91Å; L137-L178 HydrophobicContact CG-CG 4.36Å; L137-D359 HydrophobicContact CD1-CB 4.41Å; L137-D359 HydrophobicContact CD2-CB 4.38Å
138	G	98.9	Very high	98.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.9	-45.6	172.9	0	0	0	0	0	113.1	L134 Y135 E136 R140 L141 R142 L178 L182	L134-G138 PolarHBondContact O-N 3.41Å; Y135-G138 CarbonylContact O-C 3.53Å; Y135-G138 VanDerWaalsContact O-CA 3.27Å; Y135-G138 WeakPolarHBondContact O-CA 3.47Å; Y135-G138 PolarHBondContact O-N 3.25Å; E136-G138 VanDerWaalsContact C-N 3.3Å; E136-G138 PolarHBondContact O-N 2.78Å; G138-R140 VanDerWaalsContact C-N 3.32Å; G138-R140 PolarHBondContact O-N 2.67Å; G138-L141 PolarHBondContact O-N 2.87Å; G138-R142 PolarHBondContact O-N 2.88Å; G138-L178 WeakPolarHBondContact CA-O 3.36Å; G138-L182 WeakPolarHBondContact O-CA 3.41Å
139	E	98.9	Very high	98.5	Very high	65 Å²	65	46.8 Å²	46.8	30%	0.304	22%	0.221	S	C	.	.	H	α-helix	trans	-61.9	-39.4	176.8	-63.1	-155.8	94.9	0	0	112.4	Y135 E136 L137 L141 R142 K143 Y184	Y135-E139 HydrophobicContact CD1-CG 3.86Å; Y135-E139 HydrophobicContact CE1-CG 3.64Å; Y135-E139 WeakPolarHBondContact O-CG 3.4Å; Y135-E139 PolarHBondContact O-N 2.89Å; E136-E139 PolarHBondContact O-N 3.19Å; L137-E139 PolarHBondContact O-N 3.35Å; E139-L141 VanDerWaalsContact C-N 3.34Å; E139-R142 WeakPolarHBondContact O-CB 3.46Å; E139-R142 PolarHBondContact O-N 3.17Å; E139-K143 PolarHBondContact O-N 2.79Å; E139-Y184 HydrophobicContact CG-CE1 3.92Å; E139-Y184 VanDerWaalsContact OE1-CE1 3.25Å; E139-Y184 WeakPolarHBondContact OE1-CE1 3.48Å; E139-Y184 PolarHBondContact OE1-OH 2.84Å
140	R	98.8	Very high	98.4	Very high	90 Å²	90	48 Å²	48	34%	0.34	24%	0.237	S	C	.	.	H	α-helix	trans	-63.4	-41.9	175.3	-169.4	-174.5	68.2	179.7	7.6	111.3	E136 L137 G138 R144 D359	E136-R140 PolarHBondContact O-N 2.82Å; L137-R140 WeakPolarHBondContact O-CB 3.28Å; L137-R140 PolarHBondContact O-N 2.98Å; G138-R140 VanDerWaalsContact C-N 3.32Å; G138-R140 PolarHBondContact O-N 2.67Å; R140-R144 PolarHBondContact O-N 3.32Å; R140-D359 IonicContact CZ-OD1 2.85Å; R140-D359 IonicContact NH1-OD1 3.19Å; R140-D359 PolarHBondContact NH1-OD1 2.73Å; R140-D359 IonicContact NH2-OD1 2.71Å; R140-D359 PolarHBondContact NH2-OD1 2.72Å; R140-D359 IonicContact NH2-OD2 3.06Å; R140-D359 PolarHBondContact NH2-OD2 3.2Å
141	L	98.8	Very high	98.3	Very high	5 Å²	5	49 Å²	49	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-66.2	-37.5	174.2	-62.5	-171.8	0	0	0	111.6	V57 L137 G138 E139 R144 Y145 L178 L182 L331	V57-L141 HydrophobicContact CG1-CD1 4.44Å; V57-L141 HydrophobicContact CG2-CD1 4.09Å; V57-L141 HydrophobicContact CG2-CD2 4.38Å; L137-L141 HydrophobicContact CD1-CG 4.41Å; L137-L141 WeakPolarHBondContact O-CG 3.42Å; L137-L141 PolarHBondContact O-N 2.87Å; G138-L141 PolarHBondContact O-N 2.87Å; E139-L141 VanDerWaalsContact C-N 3.34Å; L141-R144 PolarHBondContact O-N 2.8Å; L141-Y145 HydrophobicContact CB-CD2 4.27Å; L141-Y145 HydrophobicContact CD2-CD2 4.38Å; L141-Y145 HydrophobicContact CD2-CE2 3.9Å; L141-Y145 WeakPolarHBondContact O-CB 3.33Å; L141-Y145 WeakPolarHBondContact O-CD2 3.48Å; L141-Y145 PolarHBondContact O-N 3.43Å; L141-L178 HydrophobicContact CD1-CD1 4.41Å; L141-L178 HydrophobicContact CD1-CD2 3.99Å; L141-L182 HydrophobicContact CB-CD1 3.8Å; L141-L331 HydrophobicContact CD1-CD2 4.28Å
142	R	98.7	Very high	98.3	Very high	31 Å²	31	48.8 Å²	48.8	12%	0.117	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-49	175.6	-179.4	174.7	-173.9	77.3	-1.1	111.4	G138 E139 R144 I146 Q147 L182	G138-R142 PolarHBondContact O-N 2.88Å; E139-R142 WeakPolarHBondContact O-CB 3.46Å; E139-R142 PolarHBondContact O-N 3.17Å; R142-R144 VanDerWaalsContact C-N 3.31Å; R142-R144 PolarHBondContact O-N 2.93Å; R142-I146 HydrophobicContact CG-CB 4.23Å; R142-I146 HydrophobicContact CG-CD1 4.06Å; R142-I146 WeakPolarHBondContact O-CA 3.39Å; R142-I146 VanDerWaalsContact O-CB 3.31Å; R142-I146 WeakPolarHBondContact O-CB 3.38Å; R142-I146 PolarHBondContact O-N 2.84Å; R142-Q147 PolarHBondContact O-N 3.35Å; R142-Q147 VanDerWaalsContact O-N 3.08Å; R142-L182 HydrophobicContact CB-CD1 3.96Å; R142-L182 WeakPolarHBondContact CB-O 3.44Å; R142-L182 VanDerWaalsContact CD-O 3.29Å; R142-L182 WeakPolarHBondContact CD-O 3.42Å; R142-L182 WeakPolarHBondContact CG-O 3.37Å; R142-L182 VanDerWaalsContact N-CD1 3.33Å; R142-L182 PolarHBondContact NH1-O 3.12Å
143	K	98.6	Very high	98.2	Very high	114 Å²	114	50.5 Å²	50.5	50%	0.496	25%	0.252	S	S	.	.	I	π-helix	trans	-52.8	-53.3	176	-173.3	-171.5	176.3	71.4	0	109.9	E139 Q147 D148	E139-K143 PolarHBondContact O-N 2.79Å; K143-Q147 WeakPolarHBondContact O-CB 3.36Å; K143-Q147 PolarHBondContact O-N 3.46Å; K143-D148 WeakPolarHBondContact O-CB 3.34Å; K143-D148 PolarHBondContact O-N 3.49Å
144	R	98.2	Very high	98.1	Very high	64 Å²	64	51.5 Å²	51.5	24%	0.242	26%	0.262	C	S	.	.	I	π-helix	trans	-65.9	-52.5	-177.1	-169.2	170.9	178.8	146.6	-7.8	113	R140 L141 R142 T149 E363 K376	R140-R144 PolarHBondContact O-N 3.32Å; L141-R144 PolarHBondContact O-N 2.8Å; R142-R144 VanDerWaalsContact C-N 3.31Å; R142-R144 PolarHBondContact O-N 2.93Å; R144-T149 WeakPolarHBondContact O-CG2 3.17Å; R144-T149 PolarHBondContact O-N 2.86Å; R144-T149 PolarHBondContact O-OG1 3.41Å; R144-T149 VanDerWaalsContact O-OG1 3.1Å; R144-E363 IonicContact CZ-OE1 2.7Å; R144-E363 IonicContact NE-OE1 3.13Å; R144-E363 PolarHBondContact NE-OE1 2.85Å; R144-E363 IonicContact NH2-OE1 3.07Å; R144-E363 PolarHBondContact NH2-OE1 2.91Å; R144-E363 IonicContact NH2-OE2 3.2Å; R144-E363 PolarHBondContact NH2-OE2 2.67Å; R144-E363 VanDerWaalsContact NH2-OE2 3.13Å; R144-K376 VanDerWaalsContact NH2-NZ 3.14Å
145	Y	98.6	Very high	98.1	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.008	27%	0.274	C	S	.	.	I	π-helix	trans	-99.8	-12.7	-165.1	-59.1	-51.6	0	0	0	115.3	L52 V55 L141 T149 F151 L152 T361 E363	L52-Y145 HydrophobicContact CD2-CD1 3.74Å; L52-Y145 HydrophobicContact CD2-CE1 3.8Å; V55-Y145 HydrophobicContact CB-CE2 4.5Å; V55-Y145 HydrophobicContact CG1-CD2 4.41Å; V55-Y145 HydrophobicContact CG1-CE1 4.43Å; V55-Y145 HydrophobicContact CG1-CE2 3.64Å; V55-Y145 HydrophobicContact CG2-CD1 4.04Å; V55-Y145 HydrophobicContact CG2-CE1 3.65Å; V55-Y145 HydrophobicContact CG2-CE2 4.21Å; V55-Y145 HydrophobicContact CG2-CG 4.5Å; L141-Y145 HydrophobicContact CB-CD2 4.27Å; L141-Y145 HydrophobicContact CD2-CD2 4.38Å; L141-Y145 HydrophobicContact CD2-CE2 3.9Å; L141-Y145 WeakPolarHBondContact O-CB 3.33Å; L141-Y145 WeakPolarHBondContact O-CD2 3.48Å; L141-Y145 PolarHBondContact O-N 3.43Å; Y145-T149 WeakPolarHBondContact CA-OG1 3.47Å; Y145-F151 HydrophobicContact CD1-CD1 4.44Å; Y145-F151 WeakPolarHBondContact O-CA 3.38Å; Y145-F151 WeakPolarHBondContact O-CB 3.39Å; Y145-F151 PolarHBondContact O-N 2.86Å; Y145-L152 PolarHBondContact O-N 2.84Å; Y145-T361 WeakPolarHBondContact OH-CG2 3.49Å; Y145-E363 WeakPolarHBondContact CE1-OE1 3.37Å; Y145-E363 VanDerWaalsContact CZ-OE1 3.27Å; Y145-E363 PolarHBondContact OH-OE1 3.15Å
146	I	98.4	Very high	98	Very high	21 Å²	21	52.5 Å²	52.5	11%	0.108	27%	0.27	C	S	.	.	I	π-helix	trans	-111.1	-47.6	176.4	-63.7	169.1	0	0	0	110	R142 A150 L152 P154 L182 F183	R142-I146 HydrophobicContact CG-CB 4.23Å; R142-I146 HydrophobicContact CG-CD1 4.06Å; R142-I146 WeakPolarHBondContact O-CA 3.39Å; R142-I146 VanDerWaalsContact O-CB 3.31Å; R142-I146 WeakPolarHBondContact O-CB 3.38Å; R142-I146 PolarHBondContact O-N 2.84Å; I146-A150 WeakPolarHBondContact O-CA 3.17Å; I146-A150 PolarHBondContact O-N 2.99Å; I146-L152 HydrophobicContact CD1-CB 4.42Å; I146-L152 HydrophobicContact CG1-CB 3.77Å; I146-P154 HydrophobicContact CG2-CB 4.11Å; I146-L182 HydrophobicContact CD1-CD1 3.93Å; I146-L182 WeakPolarHBondContact CD1-O 3.3Å; I146-F183 HydrophobicContact CD1-CD1 4.17Å; I146-F183 HydrophobicContact CD1-CE1 4.01Å
147	Q	98.1	Very high	97.9	Very high	108 Å²	108	49.5 Å²	49.5	51%	0.505	26%	0.26	S	S	.	.	I	π-helix	trans	-84.4	-51.3	-173.5	-57.8	171.6	-7	0	0	112.4	R142 K143	R142-Q147 PolarHBondContact O-N 3.35Å; R142-Q147 VanDerWaalsContact O-N 3.08Å; K143-Q147 WeakPolarHBondContact O-CB 3.36Å; K143-Q147 PolarHBondContact O-N 3.46Å
148	D	96.7	Very high	97.7	Very high	106 Å²	106	50.9 Å²	50.9	57%	0.567	27%	0.27	S	S	*	.	I	π-helix	trans	-80.5	-38.3	-172.2	-62.5	-18.9	0	0	0	112	K143	K143-D148 WeakPolarHBondContact O-CB 3.34Å; K143-D148 PolarHBondContact O-N 3.49Å
149	T	95.1	Very high	97.5	Very high	76 Å²	76	53.6 Å²	53.6	47%	0.466	29%	0.286	S	S	.	.	S	Bend	trans	-111.2	-10.2	-176.2	70.2	0	0	0	0	115.3	R144 Y145 F151	R144-T149 WeakPolarHBondContact O-CG2 3.17Å; R144-T149 PolarHBondContact O-N 2.86Å; R144-T149 PolarHBondContact O-OG1 3.41Å; R144-T149 VanDerWaalsContact O-OG1 3.1Å; Y145-T149 WeakPolarHBondContact CA-OG1 3.47Å; T149-F151 PolarHBondContact O-N 2.93Å; T149-F151 VanDerWaalsContact O-N 3.1Å; T149-F151 VanDerWaalsContact OG1-CB 3.29Å; T149-F151 WeakPolarHBondContact OG1-CB 3.48Å; T149-F151 PolarHBondContact OG1-N 2.94Å
150	A	97.1	Very high	97.3	Very high	81 Å²	81	50.7 Å²	50.7	67%	0.669	27%	0.273	S	S	*	.			trans	46.7	37.8	-171.9	0	0	0	0	0	113.6	I146	I146-A150 WeakPolarHBondContact O-CA 3.17Å; I146-A150 PolarHBondContact O-N 2.99Å
151	F	97.9	Very high	97.3	Very high	22 Å²	22	46.5 Å²	46.5	10%	0.096	26%	0.257	C	S	.	.			trans	-80.5	-41.1	-175.8	174.6	-113.4	0	0	0	111.9	L52 V55 Y145 T149 K328	L52-F151 HydrophobicContact CB-CD2 4.19Å; L52-F151 HydrophobicContact CB-CE2 4.38Å; L52-F151 HydrophobicContact CD2-CB 4.03Å; L52-F151 HydrophobicContact CD2-CD1 3.67Å; L52-F151 HydrophobicContact CD2-CD2 3.93Å; L52-F151 HydrophobicContact CD2-CE1 4.08Å; L52-F151 HydrophobicContact CD2-CE2 4.31Å; L52-F151 HydrophobicContact CD2-CG 3.6Å; L52-F151 HydrophobicContact CD2-CZ 4.38Å; L52-F151 HydrophobicContact CG-CD1 4.27Å; L52-F151 HydrophobicContact CG-CD2 3.93Å; L52-F151 HydrophobicContact CG-CE1 4.27Å; L52-F151 HydrophobicContact CG-CE2 3.92Å; L52-F151 HydrophobicContact CG-CG 4.12Å; L52-F151 HydrophobicContact CG-CZ 4.1Å; L52-F151 WeakPolarHBondContact O-CE2 3.47Å; V55-F151 HydrophobicContact CB-CE1 4.38Å; V55-F151 HydrophobicContact CG2-CD1 4.12Å; V55-F151 HydrophobicContact CG2-CE1 3.65Å; V55-F151 HydrophobicContact CG2-CZ 4.44Å; Y145-F151 HydrophobicContact CD1-CD1 4.44Å; Y145-F151 WeakPolarHBondContact O-CA 3.38Å; Y145-F151 WeakPolarHBondContact O-CB 3.39Å; Y145-F151 PolarHBondContact O-N 2.86Å; T149-F151 PolarHBondContact O-N 2.93Å; T149-F151 VanDerWaalsContact O-N 3.1Å; T149-F151 VanDerWaalsContact OG1-CB 3.29Å; T149-F151 WeakPolarHBondContact OG1-CB 3.48Å; T149-F151 PolarHBondContact OG1-N 2.94Å; F151-K328 HydrophobicContact CD2-CD 4.23Å; F151-K328 HydrophobicContact CE1-CB 3.7Å; F151-K328 HydrophobicContact CE1-CD 4.23Å; F151-K328 HydrophobicContact CE1-CG 4.31Å; F151-K328 HydrophobicContact CE2-CB 4.39Å; F151-K328 HydrophobicContact CE2-CD 3.88Å; F151-K328 HydrophobicContact CE2-CG 4.13Å; F151-K328 HydrophobicContact CZ-CB 3.58Å; F151-K328 HydrophobicContact CZ-CD 3.87Å; F151-K328 HydrophobicContact CZ-CG 3.78Å; F151-K328 WeakPolarHBondContact O-CD 3.4Å; F151-K328 WeakPolarHBondContact O-CE 3.5Å; F151-K328 PolarHBondContact O-NZ 2.74Å
152	L	98.1	Very high	97.3	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.031	27%	0.265	C	S	.	.	S	Bend	trans	-104.1	152.9	177.1	-61.6	172.1	0	0	0	111.1	Y145 I146 E160 K328 L329	Y145-L152 PolarHBondContact O-N 2.84Å; I146-L152 HydrophobicContact CD1-CB 4.42Å; I146-L152 HydrophobicContact CG1-CB 3.77Å; L152-E160 HydrophobicContact CD2-CG 4Å; L152-K328 HydrophobicContact CD2-CB 3.68Å; L152-K328 HydrophobicContact CD2-CD 4.23Å; L152-L329 HydrophobicContact CD1-CB 4.32Å; L152-L329 HydrophobicContact CD1-CD2 3.79Å; L152-L329 HydrophobicContact CD2-CB 4.01Å
153	N	96.8	Very high	97.3	Very high	89 Å²	89	47.1 Å²	47.1	48%	0.476	26%	0.26	S	S	.	.			trans	-67.8	151.1	169.7	-67.6	-62.8	0	0	0	111.4	T155 E160 F183	N153-T155 PolarHBondContact O-N 3.21Å; N153-E160 WeakPolarHBondContact CB-OE2 3.49Å; N153-E160 PolarHBondContact N-OE1 3.47Å; N153-E160 PolarHBondContact N-OE2 3.08Å; N153-E160 VanDerWaalsContact N-OE2 3.16Å; N153-E160 VanDerWaalsContact ND2-CD 3.33Å; N153-E160 PolarHBondContact ND2-OE1 3.42Å; N153-E160 PolarHBondContact ND2-OE2 2.98Å; N153-F183 WeakPolarHBondContact O-CE1 3.48Å
154	P	97.6	Very high	97.3	Very high	68 Å²	68	42.5 Å²	42.5	44%	0.442	24%	0.239	S	C	.	.	S	Bend	trans	-72.2	-12.6	178.1	29	-35.7	0	0	0	114.1	I146	I146-P154 HydrophobicContact CG2-CB 4.11Å
155	T	97.4	Very high	97.4	Very high	41 Å²	41	39.5 Å²	39.5	25%	0.252	23%	0.228	S	C	.	.	S	Bend	trans	-111.6	133.1	176.6	-60.6	0	0	0	0	109.1	N153 S186 R188	N153-T155 PolarHBondContact O-N 3.21Å; T155-S186 WeakPolarHBondContact CA-O 3.42Å; T155-S186 PolarHBondContact OG1-OG 2.99Å; T155-R188 HydrophobicContact CG2-CG 4.19Å
156	F	97.8	Very high	97.4	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.022	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-58.1	138.2	177.7	174.7	-92.9	0	0	0	111.6	P158 V161 V163 V179 F183 S186 Q187 V191	F156-P158 HydrophobicContact CE1-CB 4.22Å; F156-P158 HydrophobicContact CZ-CB 4.39Å; F156-V161 HydrophobicContact CD2-CB 4.19Å; F156-V161 HydrophobicContact CE2-CB 3.77Å; F156-V161 HydrophobicContact CE2-CG1 4.01Å; F156-V163 HydrophobicContact CE2-CG2 4.38Å; F156-V179 HydrophobicContact CD2-CG1 3.93Å; F156-V179 HydrophobicContact CE2-CG1 4.33Å; F156-F183 HydrophobicContact CB-CB 4.26Å; F156-F183 HydrophobicContact CB-CD1 4.18Å; F156-F183 HydrophobicContact CB-CD2 3.85Å; F156-F183 HydrophobicContact CB-CE2 4.27Å; F156-F183 HydrophobicContact CB-CG 3.81Å; F156-F183 AromaticContact CD2-CD2 3.94Å; F156-F183 HydrophobicContact CD2-CD2 3.94Å; F156-F183 AromaticContact CD2-CE2 3.72Å; F156-F183 HydrophobicContact CD2-CE2 3.72Å; F156-F183 HydrophobicContact CD2-CZ 4.35Å; F156-F183 HydrophobicContact CG-CD2 4.39Å; F156-F183 HydrophobicContact CG-CE2 4.5Å; F156-S186 PolarHBondContact N-O 3.03Å; F156-Q187 HydrophobicContact CB-CB 3.91Å; F156-Q187 HydrophobicContact CD1-CB 4.28Å; F156-Q187 HydrophobicContact CG-CB 4.49Å; F156-V191 HydrophobicContact CD1-CG2 3.67Å; F156-V191 HydrophobicContact CD2-CG2 4.18Å; F156-V191 HydrophobicContact CE1-CB 4.16Å; F156-V191 HydrophobicContact CE1-CG1 4.43Å; F156-V191 HydrophobicContact CE1-CG2 3.57Å; F156-V191 HydrophobicContact CE2-CG1 4.16Å; F156-V191 HydrophobicContact CE2-CG2 4.07Å; F156-V191 HydrophobicContact CG-CG2 3.99Å; F156-V191 HydrophobicContact CZ-CB 4.14Å; F156-V191 HydrophobicContact CZ-CG1 3.89Å; F156-V191 HydrophobicContact CZ-CG2 3.78Å
157	S	95.6	Very high	97.3	Very high	36 Å²	36	38.9 Å²	38.9	25%	0.252	23%	0.225	S	C	.	.			trans	-138.7	131	170.5	-179.1	0	0	0	0	110.4	T159 E160 V161	S157-T159 PolarHBondContact O-N 3.35Å; S157-T159 PolarHBondContact OG-OG1 3.17Å; S157-T159 VanDerWaalsContact OG-OG1 3.12Å; S157-E160 PolarHBondContact O-N 3.35Å; S157-E160 VanDerWaalsContact O-N 3.13Å; S157-V161 PolarHBondContact O-N 3.47Å
158	P	94.9	Very high	97.4	Very high	39 Å²	39	34.1 Å²	34.1	25%	0.253	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.7	-179.4	27.8	-34.9	0	0	0	113.6	F156 P192 R327	F156-P158 HydrophobicContact CE1-CB 4.22Å; F156-P158 HydrophobicContact CZ-CB 4.39Å; P158-P192 HydrophobicContact CB-CG 4.08Å; P158-R327 VanDerWaalsContact O-CZ 3.25Å; P158-R327 PolarHBondContact O-NH1 2.78Å; P158-R327 PolarHBondContact O-NH2 2.95Å
159	T	94.8	Very high	97.4	Very high	56 Å²	56	30.8 Å²	30.8	34%	0.344	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-25.1	173.2	60.7	0	0	0	0	112.3	S157 N326 R327	S157-T159 PolarHBondContact O-N 3.35Å; S157-T159 PolarHBondContact OG-OG1 3.17Å; S157-T159 VanDerWaalsContact OG-OG1 3.12Å; T159-N326 CarbonylContact O-C 3.58Å; T159-R327 VanDerWaalsContact C-NH1 3.33Å; T159-R327 WeakPolarHBondContact O-CA 3.31Å; T159-R327 PolarHBondContact O-N 3.16Å; T159-R327 PolarHBondContact O-NH1 3.27Å
160	E	96.4	Very high	97.6	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.023	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-37.2	178.1	-170.3	171.2	-140.8	0	0	112.2	L152 N153 S157 R327 K328 L329	L152-E160 HydrophobicContact CD2-CG 4Å; N153-E160 WeakPolarHBondContact CB-OE2 3.49Å; N153-E160 PolarHBondContact N-OE1 3.47Å; N153-E160 PolarHBondContact N-OE2 3.08Å; N153-E160 VanDerWaalsContact N-OE2 3.16Å; N153-E160 VanDerWaalsContact ND2-CD 3.33Å; N153-E160 PolarHBondContact ND2-OE1 3.42Å; N153-E160 PolarHBondContact ND2-OE2 2.98Å; S157-E160 PolarHBondContact O-N 3.35Å; S157-E160 VanDerWaalsContact O-N 3.13Å; E160-R327 VanDerWaalsContact C-NH1 3.29Å; E160-K328 HydrophobicContact CG-CB 4.03Å; E160-K328 HydrophobicContact CG-CD 4.17Å; E160-K328 HydrophobicContact CG-CG 4.29Å; E160-K328 PolarHBondContact O-N 3.11Å; E160-K328 WeakPolarHBondContact OE1-CD 3.4Å; E160-K328 WeakPolarHBondContact OE1-CE 3.15Å; E160-K328 IonicContact OE1-NZ 2.7Å; E160-K328 PolarHBondContact OE1-NZ 2.82Å; E160-L329 PolarHBondContact O-N 3.48Å
161	V	98.2	Very high	97.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.1	-175.8	-175.4	0	0	0	0	113.4	F156 S157 V163 F183 R327 L329 L331	F156-V161 HydrophobicContact CD2-CB 4.19Å; F156-V161 HydrophobicContact CE2-CB 3.77Å; F156-V161 HydrophobicContact CE2-CG1 4.01Å; S157-V161 PolarHBondContact O-N 3.47Å; V161-V163 HydrophobicContact CG1-CG2 4.05Å; V161-F183 HydrophobicContact CG2-CE2 4.18Å; V161-F183 HydrophobicContact CG2-CZ 3.67Å; V161-R327 VanDerWaalsContact CA-NH1 3.31Å; V161-R327 PolarHBondContact O-NH1 3.01Å; V161-L329 WeakPolarHBondContact CA-O 3.09Å; V161-L329 HydrophobicContact CG1-CB 4.31Å; V161-L329 HydrophobicContact CG1-CD2 3.88Å; V161-L329 HydrophobicContact CG1-CG 4.13Å; V161-L329 HydrophobicContact CG2-CB 4.15Å; V161-L329 HydrophobicContact CG2-CD2 4.18Å; V161-L331 HydrophobicContact CG1-CD1 4.12Å; V161-L331 HydrophobicContact CG1-CG 4.4Å
162	Y	98.5	Very high	97.7	Very high	47 Å²	47	22.7 Å²	22.7	18%	0.184	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.4	176	176	-88.8	0	0	0	108.8	R164 L194 L329 F330 L331 Y332	Y162-R164 HydrophobicContact CD1-CB 4.29Å; Y162-R164 HydrophobicContact CE1-CB 3.41Å; Y162-R164 VanDerWaalsContact CE1-CB 3.41Å; Y162-R164 HydrophobicContact CE1-CG 4.47Å; Y162-L194 HydrophobicContact CD2-CD1 4.14Å; Y162-L194 HydrophobicContact CE2-CD1 3.31Å; Y162-L194 HydrophobicContact CE2-CG 4.41Å; Y162-L329 PolarHBondContact N-O 3.31Å; Y162-F330 AromaticContact CD1-CD1 3.49Å; Y162-F330 HydrophobicContact CD1-CD1 3.49Å; Y162-F330 VanDerWaalsContact CD1-CD1 3.49Å; Y162-F330 HydrophobicContact CD1-CE1 4.18Å; Y162-F330 HydrophobicContact CD1-CG 4.43Å; Y162-F330 HydrophobicContact CE1-CD1 4.23Å; Y162-F330 AromaticContact CG-CD1 3.67Å; Y162-F330 HydrophobicContact CG-CD1 3.67Å; Y162-F330 HydrophobicContact CG-CE1 4.02Å; Y162-L331 PolarHBondContact O-N 2.79Å; Y162-Y332 HydrophobicContact CD1-CE1 4.46Å; Y162-Y332 AromaticContact CE1-CE1 3.91Å; Y162-Y332 HydrophobicContact CE1-CE1 3.91Å
163	V	98.8	Very high	97.8	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.8	-179.9	-168.7	0	0	0	0	109.1	F156 V161 A175 V179 V191 I193 L194 L331	F156-V163 HydrophobicContact CE2-CG2 4.38Å; V161-V163 HydrophobicContact CG1-CG2 4.05Å; V163-A175 HydrophobicContact CG1-CB 3.91Å; V163-V179 HydrophobicContact CG2-CG2 4.1Å; V163-V191 HydrophobicContact CG2-CG1 4.22Å; V163-I193 HydrophobicContact CG1-CG1 4.14Å; V163-I193 HydrophobicContact CG1-CG2 4.42Å; V163-L194 PolarHBondContact O-N 3.37Å; V163-L331 HydrophobicContact CG1-CB 4.39Å; V163-L331 HydrophobicContact CG2-CD1 4.27Å
164	R	98.8	Very high	97.9	Very high	17 Å²	17	19.6 Å²	19.6	6%	0.064	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.9	172.2	179.8	-177.5	171.1	164.2	0.9	110	L98 Y162 L194 E201 L203 L331 Y332 S333	L98-R164 HydrophobicContact CD2-CG 4.36Å; Y162-R164 HydrophobicContact CD1-CB 4.29Å; Y162-R164 HydrophobicContact CE1-CB 3.41Å; Y162-R164 VanDerWaalsContact CE1-CB 3.41Å; Y162-R164 HydrophobicContact CE1-CG 4.47Å; R164-L194 CarbonylContact C-O 3.29Å; R164-L194 VanDerWaalsContact CA-O 3.31Å; R164-L194 WeakPolarHBondContact CA-O 3.42Å; R164-L194 WeakPolarHBondContact CG-O 3.42Å; R164-E201 IonicContact CZ-OE1 3.58Å; R164-E201 IonicContact NE-OE1 2.61Å; R164-E201 IonicContact NH2-OE1 2.72Å; R164-E201 PolarHBondContact NH2-OE1 3.22Å; R164-L203 HydrophobicContact CG-CD1 3.88Å; R164-L331 PolarHBondContact N-O 2.99Å; R164-Y332 HydrophobicContact CB-CD1 4.02Å; R164-Y332 HydrophobicContact CB-CE1 4.25Å; R164-Y332 HydrophobicContact CG-CD1 4.49Å; R164-Y332 WeakPolarHBondContact O-CA 3.37Å; R164-S333 PolarHBondContact O-N 3.4Å
165	S	98.9	Very high	97.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.5	175.8	-179.2	0	0	0	0	109.3	T171 I172 L194	S165-T171 VanDerWaalsContact OG-CB 3.24Å; S165-T171 WeakPolarHBondContact OG-CB 3.47Å; S165-T171 PolarHBondContact OG-O 3.01Å; S165-T171 PolarHBondContact OG-OG1 3.43Å; S165-I172 PolarHBondContact OG-N 2.85Å; S165-I172 VanDerWaalsContact OG-N 3.16Å; S165-L194 PolarHBondContact N-O 3.39Å
166	T	98.7	Very high	98	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.			trans	-60.4	150.5	157.4	57.6	0	0	0	0	109.7	I168 T171 E201 L203 Y204 S333 H335	T166-I168 PolarHBondContact O-N 3.13Å; T166-T171 PolarHBondContact O-OG1 3.34Å; T166-T171 VanDerWaalsContact O-OG1 3.14Å; T166-T171 WeakPolarHBondContact OG1-CB 3.29Å; T166-T171 WeakPolarHBondContact OG1-CG2 3.44Å; T166-T171 PolarHBondContact OG1-OG1 3.01Å; T166-E201 WeakPolarHBondContact CA-OE2 3.11Å; T166-E201 HydrophobicContact CG2-CG 4.02Å; T166-L203 HydrophobicContact CG2-CB 3.45Å; T166-L203 VanDerWaalsContact CG2-CB 3.45Å; T166-L203 HydrophobicContact CG2-CD1 4.29Å; T166-L203 HydrophobicContact CG2-CG 4.49Å; T166-Y204 HydrophobicContact CG2-CD1 3.64Å; T166-Y204 HydrophobicContact CG2-CE1 3.75Å; T166-S333 PolarHBondContact N-O 3.5Å; T166-H335 WeakPolarHBondContact CG2-NE2 3.45Å; T166-H335 PolarHBondContact OG1-NE2 2.81Å
167	N	98.1	Very high	98	Very high	10 Å²	10	14.4 Å²	14.4	5%	0.053	8%	0.079	C	C	.	.	S	Bend	trans	-75.8	52.9	-179.8	-166.3	5.8	0	0	0	112.1	R103 P104 S105 S106 T195	R103-N167 VanDerWaalsContact CZ-OD1 3.26Å; R103-N167 PolarHBondContact NE-OD1 3.31Å; R103-N167 PolarHBondContact NH2-OD1 3.05Å; P104-N167 PolarHBondContact O-ND2 3.18Å; S105-N167 PolarHBondContact O-ND2 3.36Å; S106-N167 VanDerWaalsContact CB-O 3.3Å; S106-N167 WeakPolarHBondContact CB-O 3.31Å; S106-N167 PolarHBondContact OG-O 2.86Å; N167-T195 HydrophobicContact CB-CG2 4.32Å
168	I	98.3	Very high	98.2	Very high	8 Å²	8	12.7 Å²	12.7	4%	0.041	7%	0.067	C	C	.	.	S	Bend	trans	-127	136.7	179.1	-58.2	177.3	0	0	0	107.6	V108 E109 Y112 T166 R170 T171 I172	V108-I168 HydrophobicContact CB-CD1 4.35Å; V108-I168 HydrophobicContact CB-CG1 4.47Å; V108-I168 HydrophobicContact CG1-CD1 3.75Å; V108-I168 HydrophobicContact CG1-CG1 4.29Å; E109-I168 WeakPolarHBondContact OE2-CG2 3.38Å; Y112-I168 HydrophobicContact CE2-CG2 4.19Å; T166-I168 PolarHBondContact O-N 3.13Å; I168-R170 VanDerWaalsContact C-N 3.28Å; I168-R170 HydrophobicContact CG2-CG 3.87Å; I168-R170 PolarHBondContact O-N 3.11Å; I168-T171 PolarHBondContact O-N 3.47Å; I168-T171 VanDerWaalsContact O-N 3.07Å; I168-T171 PolarHBondContact O-OG1 2.97Å; I168-I172 WeakPolarHBondContact O-CG1 3.44Å; I168-I172 PolarHBondContact O-N 2.75Å; I168-I172 VanDerWaalsContact O-N 3.1Å
169	V	98.2	Very high	98.4	Very high	36 Å²	36	10.9 Å²	10.9	22%	0.218	6%	0.055	C	C	.	.	H	α-helix	trans	-59.6	-39.7	-168.8	170.7	0	0	0	0	111.8	E109 T171 I172 E173	E109-V169 VanDerWaalsContact CD-CG2 3.47Å; E109-V169 HydrophobicContact CG-CG2 3.81Å; E109-V169 PolarHBondContact OE2-N 2.63Å; V169-T171 VanDerWaalsContact C-N 3.32Å; V169-T171 PolarHBondContact O-N 3.29Å; V169-I172 PolarHBondContact O-N 2.95Å; V169-E173 HydrophobicContact CG1-CG 4.11Å; V169-E173 WeakPolarHBondContact O-CB 3.32Å; V169-E173 WeakPolarHBondContact O-CG 3.37Å; V169-E173 PolarHBondContact O-N 3.15Å
170	R	98.6	Very high	98.6	Very high	8 Å²	8	8.2 Å²	8.2	3%	0.03	4%	0.039	C	C	.	.	H	α-helix	trans	-62.5	-33.7	178.9	63.6	170.3	174.4	-77	-3.6	114.3	H61 Y112 G124 L126 I168 S174	H61-R170 PolarHBondContact CD2-NE 2.82Å; H61-R170 PolarHBondContact NE2-NE 2.97Å; Y112-R170 PolarHBondContact OH-NH2 3.33Å; G124-R170 VanDerWaalsContact O-CD 3.31Å; G124-R170 WeakPolarHBondContact O-CD 3.47Å; G124-R170 PolarHBondContact O-NH1 3.19Å; L126-R170 HydrophobicContact CB-CB 3.99Å; I168-R170 VanDerWaalsContact C-N 3.28Å; I168-R170 HydrophobicContact CG2-CG 3.87Å; I168-R170 PolarHBondContact O-N 3.11Å; R170-S174 VanDerWaalsContact O-CB 3.24Å; R170-S174 WeakPolarHBondContact O-CB 3.39Å; R170-S174 PolarHBondContact O-N 3.46Å; R170-S174 VanDerWaalsContact O-N 3.12Å; R170-S174 PolarHBondContact O-OG 2.75Å
171	T	98.9	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-80.9	-37	179.9	42.6	0	0	0	0	110.5	H61 S165 T166 I168 V169 S174 A175 S333 A334	H61-T171 HydrophobicContact CB-CG2 3.99Å; S165-T171 VanDerWaalsContact OG-CB 3.24Å; S165-T171 WeakPolarHBondContact OG-CB 3.47Å; S165-T171 PolarHBondContact OG-O 3.01Å; S165-T171 PolarHBondContact OG-OG1 3.43Å; T166-T171 PolarHBondContact O-OG1 3.34Å; T166-T171 VanDerWaalsContact O-OG1 3.14Å; T166-T171 WeakPolarHBondContact OG1-CB 3.29Å; T166-T171 WeakPolarHBondContact OG1-CG2 3.44Å; T166-T171 PolarHBondContact OG1-OG1 3.01Å; I168-T171 PolarHBondContact O-N 3.47Å; I168-T171 VanDerWaalsContact O-N 3.07Å; I168-T171 PolarHBondContact O-OG1 2.97Å; V169-T171 VanDerWaalsContact C-N 3.32Å; V169-T171 PolarHBondContact O-N 3.29Å; T171-S174 WeakPolarHBondContact O-CB 3.35Å; T171-S174 PolarHBondContact O-N 2.9Å; T171-A175 PolarHBondContact O-N 2.94Å; T171-S333 WeakPolarHBondContact CA-OG 3.11Å; T171-S333 WeakPolarHBondContact CB-OG 3.3Å; T171-S333 WeakPolarHBondContact O-CB 3.41Å; T171-S333 PolarHBondContact O-OG 2.88Å; T171-A334 WeakPolarHBondContact CG2-O 3.48Å
172	I	98.9	Very high	98.7	Very high	2 Å²	2	8 Å²	8	1%	0.01	4%	0.038	C	C	.	.	H	α-helix	trans	-61.7	-51.2	173.7	-65.8	165.4	0	0	0	110.4	Y93 V95 R103 S165 I168 V169 S174 A175 K176 I193 T195	Y93-I172 HydrophobicContact CE2-CG2 3.86Å; V95-I172 HydrophobicContact CG1-CD1 4.13Å; V95-I172 HydrophobicContact CG2-CD1 4.48Å; V95-I172 HydrophobicContact CG2-CG2 3.76Å; R103-I172 VanDerWaalsContact NH2-CD1 3.31Å; S165-I172 PolarHBondContact OG-N 2.85Å; S165-I172 VanDerWaalsContact OG-N 3.16Å; I168-I172 WeakPolarHBondContact O-CG1 3.44Å; I168-I172 PolarHBondContact O-N 2.75Å; I168-I172 VanDerWaalsContact O-N 3.1Å; V169-I172 PolarHBondContact O-N 2.95Å; I172-S174 VanDerWaalsContact C-N 3.26Å; I172-S174 PolarHBondContact O-N 3.49Å; I172-A175 WeakPolarHBondContact O-CB 3.32Å; I172-A175 PolarHBondContact O-N 2.02Å; I172-A175 VanDerWaalsContact O-N 3.16Å; I172-K176 PolarHBondContact O-N 3.43Å; I172-I193 HydrophobicContact CG2-CD1 4.12Å; I172-I193 HydrophobicContact CG2-CG2 4.39Å; I172-T195 HydrophobicContact CD1-CG2 4.23Å; I172-T195 HydrophobicContact CG1-CG2 4.31Å
173	E	98.8	Very high	98.7	Very high	30 Å²	30	5.8 Å²	5.8	14%	0.14	3%	0.029	C	C	.	.	H	α-helix	trans	-64.9	-32.2	178.3	-71.4	-62.5	131.6	0	0	112	Y93 L126 V169 K176 C177	Y93-E173 PolarHBondContact OH-OE1 2.67Å; L126-E173 HydrophobicContact CD2-CB 3.56Å; V169-E173 HydrophobicContact CG1-CG 4.11Å; V169-E173 WeakPolarHBondContact O-CB 3.32Å; V169-E173 WeakPolarHBondContact O-CG 3.37Å; V169-E173 PolarHBondContact O-N 3.15Å; E173-K176 WeakPolarHBondContact O-CB 3.39Å; E173-K176 PolarHBondContact O-N 3.24Å; E173-K176 WeakPolarHBondContact OE2-CE 3.23Å; E173-K176 IonicContact OE2-NZ 2.7Å; E173-K176 PolarHBondContact OE2-NZ 2.99Å; E173-C177 PolarHBondContact O-N 3.34Å; E173-C177 PolarHBondContact O-SG 3.04Å
174	S	98.9	Very high	98.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.3	-44.4	172.9	-70.3	0	0	0	0	111.9	H61 G62 L126 R170 T171 I172 K176 C177 L178	H61-S174 VanDerWaalsContact CA-OG 3.29Å; H61-S174 WeakPolarHBondContact CA-OG 3.18Å; H61-S174 VanDerWaalsContact CB-OG 3.25Å; H61-S174 WeakPolarHBondContact CB-OG 3.32Å; G62-S174 PolarHBondContact N-OG 3.09Å; L126-S174 WeakPolarHBondContact CD1-OG 3.35Å; R170-S174 VanDerWaalsContact O-CB 3.24Å; R170-S174 WeakPolarHBondContact O-CB 3.39Å; R170-S174 PolarHBondContact O-N 3.46Å; R170-S174 VanDerWaalsContact O-N 3.12Å; R170-S174 PolarHBondContact O-OG 2.75Å; T171-S174 WeakPolarHBondContact O-CB 3.35Å; T171-S174 PolarHBondContact O-N 2.9Å; I172-S174 VanDerWaalsContact C-N 3.26Å; I172-S174 PolarHBondContact O-N 3.49Å; S174-K176 VanDerWaalsContact C-N 3.35Å; S174-C177 PolarHBondContact O-N 3.25Å; S174-L178 PolarHBondContact O-N 2.98Å
175	A	98.9	Very high	98.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.6	-44.6	176.1	0	0	0	0	0	111.2	F59 V163 T171 I172 C177 L178 V179 I193	F59-A175 HydrophobicContact CZ-CB 4.17Å; V163-A175 HydrophobicContact CG1-CB 3.91Å; T171-A175 PolarHBondContact O-N 2.94Å; I172-A175 WeakPolarHBondContact O-CB 3.32Å; I172-A175 PolarHBondContact O-N 2.02Å; I172-A175 VanDerWaalsContact O-N 3.16Å; A175-C177 PolarHBondContact O-N 3.42Å; A175-L178 PolarHBondContact O-N 2.88Å; A175-V179 WeakPolarHBondContact O-CG2 3.21Å; A175-V179 PolarHBondContact O-N 2.79Å; A175-I193 HydrophobicContact CB-CD1 4.28Å
176	K	98.8	Very high	98.3	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.017	8%	0.076	C	C	.	.	H	α-helix	trans	-54.6	-51.6	173.9	-175	-160.4	80.5	179.7	0	111.7	T89 I91 Y93 I172 E173 S174 L178 V179 A180 I193	T89-K176 VanDerWaalsContact O-CE 3.32Å; T89-K176 WeakPolarHBondContact O-CE 3.2Å; I91-K176 HydrophobicContact CD1-CG 4Å; I91-K176 WeakPolarHBondContact CD1-O 3.32Å; I91-K176 HydrophobicContact CG1-CD 4.37Å; I91-K176 HydrophobicContact CG1-CG 3.51Å; Y93-K176 HydrophobicContact CD1-CB 4.45Å; Y93-K176 HydrophobicContact CD1-CD 3.46Å; Y93-K176 VanDerWaalsContact CD1-CD 3.46Å; Y93-K176 HydrophobicContact CD1-CG 3.71Å; Y93-K176 HydrophobicContact CE1-CD 3.32Å; Y93-K176 HydrophobicContact CE1-CG 4.03Å; Y93-K176 HydrophobicContact CG-CD 4.48Å; Y93-K176 HydrophobicContact CG-CG 4.32Å; I172-K176 PolarHBondContact O-N 3.43Å; E173-K176 WeakPolarHBondContact O-CB 3.39Å; E173-K176 PolarHBondContact O-N 3.24Å; E173-K176 WeakPolarHBondContact OE2-CE 3.23Å; E173-K176 IonicContact OE2-NZ 2.7Å; E173-K176 PolarHBondContact OE2-NZ 2.99Å; S174-K176 VanDerWaalsContact C-N 3.35Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 3.07Å; K176-V179 PolarHBondContact O-N 2.83Å; K176-A180 PolarHBondContact O-N 2.61Å; K176-I193 HydrophobicContact CB-CD1 4.27Å
177	C	98.9	Very high	98	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.2	-38.1	-177.9	-64.3	0	0	0	0	112.4	T89 M131 L134 Y135 E173 S174 A175 A180 G181	T89-C177 HydrophobicContact CG2-CB 4.46Å; M131-C177 WeakPolarHBondContact O-CB 3.45Å; L134-C177 HydrophobicContact CB-CB 3.8Å; Y135-C177 WeakPolarHBondContact CA-O 3.42Å; E173-C177 PolarHBondContact O-N 3.34Å; E173-C177 PolarHBondContact O-SG 3.04Å; S174-C177 PolarHBondContact O-N 3.25Å; A175-C177 PolarHBondContact O-N 3.42Å; C177-A180 WeakPolarHBondContact O-CB 3.21Å; C177-A180 PolarHBondContact O-N 3.09Å; C177-G181 PolarHBondContact O-N 3.08Å
178	L	98.9	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.9	-47	175	-174.5	166.9	0	0	0	111.4	F59 L134 L137 G138 L141 S174 A175 K176 A180 G181 L182 L331	F59-L178 HydrophobicContact CD1-CD1 3.81Å; F59-L178 HydrophobicContact CD2-CD1 4.04Å; F59-L178 HydrophobicContact CE1-CD1 3.67Å; F59-L178 HydrophobicContact CE2-CD1 3.88Å; F59-L178 HydrophobicContact CG-CD1 3.99Å; F59-L178 HydrophobicContact CZ-CD1 3.69Å; L134-L178 HydrophobicContact CB-CB 4.43Å; L134-L178 HydrophobicContact CD1-CB 4.4Å; L134-L178 HydrophobicContact CD1-CD1 4.42Å; L134-L178 VanDerWaalsContact O-CA 3.29Å; L134-L178 WeakPolarHBondContact O-CA 3.36Å; L137-L178 HydrophobicContact CD2-CD1 3.66Å; L137-L178 HydrophobicContact CG-CD1 3.91Å; L137-L178 HydrophobicContact CG-CG 4.36Å; G138-L178 WeakPolarHBondContact CA-O 3.36Å; L141-L178 HydrophobicContact CD1-CD1 4.41Å; L141-L178 HydrophobicContact CD1-CD2 3.99Å; S174-L178 PolarHBondContact O-N 2.98Å; A175-L178 PolarHBondContact O-N 2.88Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 3.07Å; L178-A180 VanDerWaalsContact C-N 3.28Å; L178-A180 PolarHBondContact O-N 2.93Å; L178-G181 PolarHBondContact O-N 2.86Å; L178-L182 HydrophobicContact CD2-CB 4.42Å; L178-L182 HydrophobicContact CD2-CD2 4.46Å; L178-L182 WeakPolarHBondContact O-CB 3.46Å; L178-L182 PolarHBondContact O-N 3.06Å; L178-L331 HydrophobicContact CD2-CD1 3.64Å; L178-L331 HydrophobicContact CD2-CD2 4.1Å
179	V	98.8	Very high	97	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-40.3	176.8	174.5	0	0	0	0	110.6	I91 F156 V163 A175 K176 G181 L182 F183 V191 L331	I91-V179 HydrophobicContact CD1-CB 3.82Å; I91-V179 HydrophobicContact CD1-CG1 3.65Å; F156-V179 HydrophobicContact CD2-CG1 3.93Å; F156-V179 HydrophobicContact CE2-CG1 4.33Å; V163-V179 HydrophobicContact CG2-CG2 4.1Å; A175-V179 WeakPolarHBondContact O-CG2 3.21Å; A175-V179 PolarHBondContact O-N 2.79Å; K176-V179 PolarHBondContact O-N 2.83Å; V179-G181 VanDerWaalsContact C-N 3.33Å; V179-G181 PolarHBondContact O-N 3.23Å; V179-L182 PolarHBondContact O-N 3.41Å; V179-F183 HydrophobicContact CG1-CD2 3.86Å; V179-F183 HydrophobicContact CG1-CE2 4.38Å; V179-F183 WeakPolarHBondContact O-CD2 2.95Å; V179-F183 PolarHBondContact O-N 3.07Å; V179-V191 HydrophobicContact CG1-CG1 4.28Å; V179-V191 HydrophobicContact CG1-CG2 3.83Å; V179-V191 HydrophobicContact CG2-CG1 4.43Å; V179-L331 HydrophobicContact CG2-CD1 3.9Å
180	A	98.8	Very high	96.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-59.1	-42	175.8	0	0	0	0	0	112.3	T89 I91 Y135 K176 C177 L178 Y184 Q185	T89-A180 WeakPolarHBondContact O-CB 2.99Å; I91-A180 HydrophobicContact CD1-CB 4.35Å; I91-A180 HydrophobicContact CG1-CB 4.49Å; I91-A180 HydrophobicContact CG2-CB 3.77Å; Y135-A180 HydrophobicContact CD2-CB 4.19Å; Y135-A180 HydrophobicContact CE2-CB 4.36Å; K176-A180 PolarHBondContact O-N 2.61Å; C177-A180 WeakPolarHBondContact O-CB 3.21Å; C177-A180 PolarHBondContact O-N 3.09Å; L178-A180 VanDerWaalsContact C-N 3.28Å; L178-A180 PolarHBondContact O-N 2.93Å; A180-Y184 WeakPolarHBondContact O-CA 3.27Å; A180-Y184 PolarHBondContact O-N 2.88Å; A180-Q185 HydrophobicContact CB-CG 4.41Å; A180-Q185 PolarHBondContact O-N 3.47Å
181	G	98.8	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-72.5	-38	175.6	0	0	0	0	0	113.8	Y135 C177 L178 V179 F183 Y184	Y135-G181 VanDerWaalsContact CD2-N 3.31Å; C177-G181 PolarHBondContact O-N 3.08Å; L178-G181 PolarHBondContact O-N 2.86Å; V179-G181 VanDerWaalsContact C-N 3.33Å; V179-G181 PolarHBondContact O-N 3.23Å; G181-F183 PolarHBondContact O-N 3.15Å; G181-Y184 VanDerWaalsContact O-CD1 3.3Å; G181-Y184 WeakPolarHBondContact O-CD1 3.41Å; G181-Y184 WeakPolarHBondContact O-CE1 3.13Å
182	L	98.8	Very high	96.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-40.2	179.4	178.2	53.9	0	0	0	112	G138 L141 R142 I146 L178 V179 L329	G138-L182 WeakPolarHBondContact O-CA 3.41Å; L141-L182 HydrophobicContact CB-CD1 3.8Å; R142-L182 HydrophobicContact CB-CD1 3.96Å; R142-L182 WeakPolarHBondContact CB-O 3.44Å; R142-L182 VanDerWaalsContact CD-O 3.29Å; R142-L182 WeakPolarHBondContact CD-O 3.42Å; R142-L182 WeakPolarHBondContact CG-O 3.37Å; R142-L182 VanDerWaalsContact N-CD1 3.33Å; R142-L182 PolarHBondContact NH1-O 3.12Å; I146-L182 HydrophobicContact CD1-CD1 3.93Å; I146-L182 WeakPolarHBondContact CD1-O 3.3Å; L178-L182 HydrophobicContact CD2-CB 4.42Å; L178-L182 HydrophobicContact CD2-CD2 4.46Å; L178-L182 WeakPolarHBondContact O-CB 3.46Å; L178-L182 PolarHBondContact O-N 3.06Å; V179-L182 PolarHBondContact O-N 3.41Å; L182-L329 HydrophobicContact CD2-CD2 3.55Å
183	F	98.6	Very high	96.7	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-109	1.8	-175.3	-62.4	-74.1	0	0	0	114.3	I146 N153 F156 V161 V179 G181 Q185 S186	I146-F183 HydrophobicContact CD1-CD1 4.17Å; I146-F183 HydrophobicContact CD1-CE1 4.01Å; N153-F183 WeakPolarHBondContact O-CE1 3.48Å; F156-F183 HydrophobicContact CB-CB 4.26Å; F156-F183 HydrophobicContact CB-CD1 4.18Å; F156-F183 HydrophobicContact CB-CD2 3.85Å; F156-F183 HydrophobicContact CB-CE2 4.27Å; F156-F183 HydrophobicContact CB-CG 3.81Å; F156-F183 AromaticContact CD2-CD2 3.94Å; F156-F183 HydrophobicContact CD2-CD2 3.94Å; F156-F183 AromaticContact CD2-CE2 3.72Å; F156-F183 HydrophobicContact CD2-CE2 3.72Å; F156-F183 HydrophobicContact CD2-CZ 4.35Å; F156-F183 HydrophobicContact CG-CD2 4.39Å; F156-F183 HydrophobicContact CG-CE2 4.5Å; V161-F183 HydrophobicContact CG2-CE2 4.18Å; V161-F183 HydrophobicContact CG2-CZ 3.67Å; V179-F183 HydrophobicContact CG1-CD2 3.86Å; V179-F183 HydrophobicContact CG1-CE2 4.38Å; V179-F183 WeakPolarHBondContact O-CD2 2.95Å; V179-F183 PolarHBondContact O-N 3.07Å; G181-F183 PolarHBondContact O-N 3.15Å; F183-Q185 VanDerWaalsContact C-N 3.25Å; F183-Q185 PolarHBondContact O-N 2.89Å; F183-S186 WeakPolarHBondContact O-CB 3.3Å; F183-S186 PolarHBondContact O-N 2.87Å
184	Y	97.8	Very high	96.7	Very high	94 Å²	94	36.1 Å²	36.1	37%	0.369	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	48.2	-174.9	-67.1	-22.5	0	0	0	112.7	Y135 E139 A180 G181 S186	Y135-Y184 WeakPolarHBondContact OH-CD1 3.28Å; E139-Y184 HydrophobicContact CG-CE1 3.92Å; E139-Y184 VanDerWaalsContact OE1-CE1 3.25Å; E139-Y184 WeakPolarHBondContact OE1-CE1 3.48Å; E139-Y184 PolarHBondContact OE1-OH 2.84Å; A180-Y184 WeakPolarHBondContact O-CA 3.27Å; A180-Y184 PolarHBondContact O-N 2.88Å; G181-Y184 VanDerWaalsContact O-CD1 3.3Å; G181-Y184 WeakPolarHBondContact O-CD1 3.41Å; G181-Y184 WeakPolarHBondContact O-CE1 3.13Å; Y184-S186 PolarHBondContact O-N 2.95Å
185	Q	95.7	Very high	96.7	Very high	82 Å²	82	36.1 Å²	36.1	38%	0.383	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	13	-178.6	-52.1	170.1	-70.3	0	0	114.1	A87 H88 Q90 I91 A180 F183 Q187	A87-Q185 PolarHBondContact O-NE2 3.29Å; H88-Q185 VanDerWaalsContact O-CD 3.25Å; H88-Q185 WeakPolarHBondContact O-CG 3.37Å; H88-Q185 PolarHBondContact O-NE2 3.28Å; Q90-Q185 PolarHBondContact O-NE2 3.03Å; I91-Q185 HydrophobicContact CG2-CB 3.94Å; I91-Q185 HydrophobicContact CG2-CG 3.81Å; A180-Q185 HydrophobicContact CB-CG 4.41Å; A180-Q185 PolarHBondContact O-N 3.47Å; F183-Q185 VanDerWaalsContact C-N 3.25Å; F183-Q185 PolarHBondContact O-N 2.89Å; Q185-Q187 PolarHBondContact O-N 2.78Å
186	S	95.1	Very high	96.7	Very high	45 Å²	45	37 Å²	37	32%	0.315	18%	0.175	S	C	.	.			trans	-83	100.6	176.7	-176.1	0	0	0	0	110.1	T155 F156 F183 Y184	T155-S186 WeakPolarHBondContact CA-O 3.42Å; T155-S186 PolarHBondContact OG1-OG 2.99Å; F156-S186 PolarHBondContact N-O 3.03Å; F183-S186 WeakPolarHBondContact O-CB 3.3Å; F183-S186 PolarHBondContact O-N 2.87Å; Y184-S186 PolarHBondContact O-N 2.95Å
187	Q	91.4	Very high	96.6	Very high	41 Å²	41	41.7 Å²	41.7	19%	0.192	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-144.5	146.4	176.4	64.1	-172.7	21.3	0	0	110	N92 F156 Q185	N92-Q187 PolarHBondContact O-NE2 3.46Å; F156-Q187 HydrophobicContact CB-CB 3.91Å; F156-Q187 HydrophobicContact CD1-CB 4.28Å; F156-Q187 HydrophobicContact CG-CB 4.49Å; Q185-Q187 PolarHBondContact O-N 2.78Å
188	R	86.3	Confident	96.4	Very high	217 Å²	217	42.1 Å²	42.1	82%	0.819	20%	0.2	S	C	*	.	S	Bend	trans	-90.8	-40.9	173.5	-66.9	-177.2	-178.5	170.9	1.4	111.5	T155	T155-R188 HydrophobicContact CG2-CG 4.19Å
189	D	88.6	Confident	96.2	Very high	97 Å²	97	47 Å²	47	52%	0.519	22%	0.223	S	C	.	.	S	Bend	trans	-110	170	-177.5	-56.2	-59.7	0	0	0	110.9
190	M	94.7	Very high	96	Very high	115 Å²	115	50.5 Å²	50.5	57%	0.567	25%	0.248	S	C	*	.			trans	-64.4	142.7	167.4	-71.7	-173.5	-79.9	0	0	110	N92 V94 P192	N92-M190 HydrophobicContact CB-CG 4.11Å; V94-M190 HydrophobicContact CB-SD 4.49Å; V94-M190 HydrophobicContact CG1-CB 4.42Å; M190-P192 WeakPolarHBondContact O-CD 3.32Å
191	V	97.9	Very high	95.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	114.6	173.2	174	0	0	0	0	109.2	I91 N92 Y93 V94 F156 V163 V179 I193	I91-V191 HydrophobicContact CD1-CG2 4.07Å; N92-V191 PolarHBondContact O-N 3.23Å; N92-V191 VanDerWaalsContact O-N 3.09Å; Y93-V191 CarbonylContact C-O 3.57Å; Y93-V191 VanDerWaalsContact CA-O 3.23Å; Y93-V191 WeakPolarHBondContact CA-O 3.39Å; Y93-V191 VanDerWaalsContact CB-O 3.32Å; Y93-V191 WeakPolarHBondContact CB-O 3.41Å; V94-V191 PolarHBondContact N-O 3.14Å; F156-V191 HydrophobicContact CD1-CG2 3.67Å; F156-V191 HydrophobicContact CD2-CG2 4.18Å; F156-V191 HydrophobicContact CE1-CB 4.16Å; F156-V191 HydrophobicContact CE1-CG1 4.43Å; F156-V191 HydrophobicContact CE1-CG2 3.57Å; F156-V191 HydrophobicContact CE2-CG1 4.16Å; F156-V191 HydrophobicContact CE2-CG2 4.07Å; F156-V191 HydrophobicContact CG-CG2 3.99Å; F156-V191 HydrophobicContact CZ-CB 4.14Å; F156-V191 HydrophobicContact CZ-CG1 3.89Å; F156-V191 HydrophobicContact CZ-CG2 3.78Å; V163-V191 HydrophobicContact CG2-CG1 4.22Å; V179-V191 HydrophobicContact CG1-CG1 4.28Å; V179-V191 HydrophobicContact CG1-CG2 3.83Å; V179-V191 HydrophobicContact CG2-CG1 4.43Å; V191-I193 HydrophobicContact CG1-CG1 4.19Å; V191-I193 PolarHBondContact O-N 3.17Å
192	P	98.2	Very high	95.9	Very high	36 Å²	36	51.1 Å²	51.1	23%	0.234	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	123.9	171	30.5	-32.4	0	0	0	109.7	V94 P158 M190 L194	V94-P192 HydrophobicContact CG1-CB 4.35Å; P158-P192 HydrophobicContact CB-CG 4.08Å; M190-P192 WeakPolarHBondContact O-CD 3.32Å; P192-L194 HydrophobicContact CB-CD2 4.19Å
193	I	98.8	Very high	95.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	104.1	170.9	-57.4	-179.8	0	0	0	107.1	Y93 V94 V95 T96 V163 I172 A175 K176 V191	Y93-I193 HydrophobicContact CD2-CD1 3.65Å; Y93-I193 HydrophobicContact CD2-CG1 4.29Å; Y93-I193 HydrophobicContact CE2-CD1 4.27Å; Y93-I193 HydrophobicContact CG-CD1 4.11Å; V94-I193 PolarHBondContact O-N 3.22Å; V95-I193 WeakPolarHBondContact CA-O 3.49Å; T96-I193 PolarHBondContact N-O 3.48Å; V163-I193 HydrophobicContact CG1-CG1 4.14Å; V163-I193 HydrophobicContact CG1-CG2 4.42Å; I172-I193 HydrophobicContact CG2-CD1 4.12Å; I172-I193 HydrophobicContact CG2-CG2 4.39Å; A175-I193 HydrophobicContact CB-CD1 4.28Å; K176-I193 HydrophobicContact CB-CD1 4.27Å; V191-I193 HydrophobicContact CG1-CG1 4.19Å; V191-I193 PolarHBondContact O-N 3.17Å
194	L	98.8	Very high	95.8	Very high	23 Å²	23	52.4 Å²	52.4	12%	0.12	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	139.8	-175.8	-48.9	-173	0	0	0	110.5	T96 L98 Y162 V163 R164 S165 P192	T96-L194 WeakPolarHBondContact OG1-CD2 3.42Å; L98-L194 HydrophobicContact CD2-CB 4.07Å; Y162-L194 HydrophobicContact CD2-CD1 4.14Å; Y162-L194 HydrophobicContact CE2-CD1 3.31Å; Y162-L194 HydrophobicContact CE2-CG 4.41Å; V163-L194 PolarHBondContact O-N 3.37Å; R164-L194 CarbonylContact C-O 3.29Å; R164-L194 VanDerWaalsContact CA-O 3.31Å; R164-L194 WeakPolarHBondContact CA-O 3.42Å; R164-L194 WeakPolarHBondContact CG-O 3.42Å; S165-L194 PolarHBondContact N-O 3.39Å; P192-L194 HydrophobicContact CB-CD2 4.19Å
195	T	98.7	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.			trans	-135.9	169.3	179.6	62.7	0	0	0	0	110.2	V95 T96 D97 L98 P104 N167 I172	V95-T195 HydrophobicContact CG1-CG2 3.59Å; T96-T195 PolarHBondContact O-N 3.36Å; T96-T195 PolarHBondContact O-OG1 3.23Å; D97-T195 CarbonylContact C-O 3.53Å; D97-T195 VanDerWaalsContact C-O 3.29Å; D97-T195 VanDerWaalsContact CA-O 3.25Å; D97-T195 WeakPolarHBondContact CA-O 3.47Å; L98-T195 WeakPolarHBondContact CD2-O 3.48Å; L98-T195 WeakPolarHBondContact CG-O 3.38Å; L98-T195 PolarHBondContact N-O 3.15Å; L98-T195 VanDerWaalsContact N-O 3.14Å; P104-T195 WeakPolarHBondContact CD-OG1 3.29Å; N167-T195 HydrophobicContact CB-CG2 4.32Å; I172-T195 HydrophobicContact CD1-CG2 4.23Å; I172-T195 HydrophobicContact CG1-CG2 4.31Å
196	T	97.9	Very high	95.8	Very high	19 Å²	19	44.3 Å²	44.3	12%	0.117	22%	0.222	C	C	.	.			trans	-139	172	173	-166.6	0	0	0	0	111.2	E201	T196-E201 HydrophobicContact CG2-CB 4.02Å; T196-E201 HydrophobicContact CG2-CG 4.47Å
197	E	96.6	Very high	95.7	Very high	102 Å²	102	45.7 Å²	45.7	48%	0.477	22%	0.221	S	C	.	.			trans	-63.4	150.2	174.2	-67.4	-176.3	176.5	0	0	111.3	P104 E199 S200 E201	P104-E197 HydrophobicContact CB-CG 3.79Å; P104-E197 HydrophobicContact CG-CG 4.35Å; E197-E199 PolarHBondContact O-N 2.86Å; E197-S200 PolarHBondContact O-N 2.69Å; E197-S200 VanDerWaalsContact O-N 3.1Å; E197-E201 PolarHBondContact O-N 3.11Å; E197-E201 VanDerWaalsContact O-N 3.14Å
198	A	95.2	Very high	95.7	Very high	9 Å²	9	49.3 Å²	49.3	7%	0.074	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.6	-173.6	0	0	0	0	0	112.3	P107 Y204 N206	P107-A198 HydrophobicContact CG-CB 4.18Å; A198-Y204 PolarHBondContact O-OH 2.88Å; A198-N206 PolarHBondContact O-ND2 3.34Å; A198-N206 PolarHBondContact O-OD1 3.39Å
199	E	94.3	Very high	96	Very high	102 Å²	102	40.5 Å²	40.5	48%	0.477	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.2	-179.7	-67.3	73.5	-166	0	0	113.1	E197 N206 G209	E197-E199 PolarHBondContact O-N 2.86Å; E199-N206 PolarHBondContact O-ND2 2.96Å; E199-N206 VanDerWaalsContact O-ND2 3.14Å; E199-G209 WeakPolarHBondContact O-CA 3.36Å
200	S	95.3	Very high	96.4	Very high	75 Å²	75	35.9 Å²	35.9	52%	0.524	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-0.6	-179.8	-57.2	0	0	0	0	113.6	E197	E197-S200 PolarHBondContact O-N 2.69Å; E197-S200 VanDerWaalsContact O-N 3.1Å
201	E	97.5	Very high	96.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.184	C	C	.	.			trans	-67.6	140.3	-177.2	-172.9	56.4	-87.5	0	0	112.6	R164 T166 T196 E197 L203 Y204 N206	R164-E201 IonicContact CZ-OE1 3.58Å; R164-E201 IonicContact NE-OE1 2.61Å; R164-E201 IonicContact NH2-OE1 2.72Å; R164-E201 PolarHBondContact NH2-OE1 3.22Å; T166-E201 WeakPolarHBondContact CA-OE2 3.11Å; T166-E201 HydrophobicContact CG2-CG 4.02Å; T196-E201 HydrophobicContact CG2-CB 4.02Å; T196-E201 HydrophobicContact CG2-CG 4.47Å; E197-E201 PolarHBondContact O-N 3.11Å; E197-E201 VanDerWaalsContact O-N 3.14Å; E201-L203 HydrophobicContact CG-CB 4.33Å; E201-L203 WeakPolarHBondContact OE1-CB 3.14Å; E201-L203 WeakPolarHBondContact OE1-CG 3.41Å; E201-L203 PolarHBondContact OE1-N 2.67Å; E201-Y204 HydrophobicContact CB-CE1 4.13Å; E201-Y204 HydrophobicContact CB-CE2 3.89Å; E201-Y204 WeakPolarHBondContact CB-OH 3.46Å; E201-Y204 HydrophobicContact CG-CD1 3.99Å; E201-Y204 HydrophobicContact CG-CD2 4.46Å; E201-Y204 HydrophobicContact CG-CE1 3.47Å; E201-Y204 VanDerWaalsContact CG-CE1 3.47Å; E201-Y204 HydrophobicContact CG-CE2 3.97Å; E201-Y204 HydrophobicContact CG-CG 4.45Å; E201-Y204 VanDerWaalsContact CG-CZ 3.44Å; E201-N206 PolarHBondContact N-ND2 2.82Å; E201-N206 WeakPolarHBondContact O-CB 3.41Å; E201-N206 PolarHBondContact O-ND2 2.97Å
202	I	98.1	Very high	96.2	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.067	19%	0.188	C	C	.	.			trans	-117.2	-9.3	177.5	69	179.3	0	0	0	112.8	Y204 P305 V309 F410	I202-Y204 PolarHBondContact O-N 2.83Å; I202-P305 HydrophobicContact CB-CB 4.12Å; I202-P305 HydrophobicContact CG2-CB 3.71Å; I202-V309 HydrophobicContact CD1-CB 4.37Å; I202-V309 HydrophobicContact CD1-CG2 3.69Å; I202-F410 HydrophobicContact CD1-CE1 4.31Å; I202-F410 HydrophobicContact CD1-CZ 4.18Å; I202-F410 HydrophobicContact CG2-CE1 3.84Å
203	L	98.5	Very high	96	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.177	C	C	.	.	S	Bend	trans	-80.1	14.8	179	-65.5	-177.4	0	0	0	113.3	L58 R164 T166 E201 L306 Y332 A334 T338	L58-L203 HydrophobicContact CD1-CD2 4.28Å; R164-L203 HydrophobicContact CG-CD1 3.88Å; T166-L203 HydrophobicContact CG2-CB 3.45Å; T166-L203 VanDerWaalsContact CG2-CB 3.45Å; T166-L203 HydrophobicContact CG2-CD1 4.29Å; T166-L203 HydrophobicContact CG2-CG 4.49Å; E201-L203 HydrophobicContact CG-CB 4.33Å; E201-L203 WeakPolarHBondContact OE1-CB 3.14Å; E201-L203 WeakPolarHBondContact OE1-CG 3.41Å; E201-L203 PolarHBondContact OE1-N 2.67Å; L203-L306 HydrophobicContact CD2-CD1 3.69Å; L203-L306 HydrophobicContact CD2-CD2 4.24Å; L203-Y332 HydrophobicContact CD1-CD1 4.42Å; L203-Y332 HydrophobicContact CD2-CD1 3.94Å; L203-Y332 HydrophobicContact CD2-CG 4.27Å; L203-A334 HydrophobicContact CB-CB 4.35Å; L203-T338 WeakPolarHBondContact O-CB 3.44Å; L203-T338 VanDerWaalsContact O-CG2 3.25Å; L203-T338 WeakPolarHBondContact O-CG2 3.38Å; L203-T338 PolarHBondContact O-OG1 3.1Å
204	Y	97.4	Very high	95.8	Very high	28 Å²	28	41.3 Å²	41.3	11%	0.11	20%	0.204	C	C	.	.	S	Bend	trans	-157.7	161.4	162.5	46.5	-113.1	0	0	0	109.6	T166 A198 E201 I202 N206 H335	T166-Y204 HydrophobicContact CG2-CD1 3.64Å; T166-Y204 HydrophobicContact CG2-CE1 3.75Å; A198-Y204 PolarHBondContact O-OH 2.88Å; E201-Y204 HydrophobicContact CB-CE1 4.13Å; E201-Y204 HydrophobicContact CB-CE2 3.89Å; E201-Y204 WeakPolarHBondContact CB-OH 3.46Å; E201-Y204 HydrophobicContact CG-CD1 3.99Å; E201-Y204 HydrophobicContact CG-CD2 4.46Å; E201-Y204 HydrophobicContact CG-CE1 3.47Å; E201-Y204 VanDerWaalsContact CG-CE1 3.47Å; E201-Y204 HydrophobicContact CG-CE2 3.97Å; E201-Y204 HydrophobicContact CG-CG 4.45Å; E201-Y204 VanDerWaalsContact CG-CZ 3.44Å; I202-Y204 PolarHBondContact O-N 2.83Å; Y204-N206 HydrophobicContact CD2-CB 4.31Å; Y204-N206 HydrophobicContact CE2-CB 4.23Å; Y204-N206 PolarHBondContact O-N 2.82Å; Y204-H335 AromaticContact CD1-CD2 3.66Å; Y204-H335 AromaticContact CD1-NE2 3.75Å
205	P	97.1	Very high	95.4	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.019	21%	0.205	C	C	.	.			trans	-56	109.1	168.5	-26.2	36.4	0	0	0	110.6	Y207 L213 Y291 C302 T337 P341	P205-Y207 HydrophobicContact CB-CE1 4.46Å; P205-Y207 HydrophobicContact CB-CE2 4.15Å; P205-Y207 WeakPolarHBondContact O-CD2 3.45Å; P205-Y207 WeakPolarHBondContact O-CE2 3.43Å; P205-Y207 PolarHBondContact O-N 2.88Å; P205-Y207 VanDerWaalsContact O-N 3.13Å; P205-L213 HydrophobicContact CB-CD2 4.04Å; P205-Y291 HydrophobicContact CB-CE1 4.36Å; P205-Y291 HydrophobicContact CG-CE1 3.85Å; P205-C302 HydrophobicContact CB-CB 4.07Å; P205-C302 HydrophobicContact CG-CB 3.88Å; P205-T337 WeakPolarHBondContact CD-O 3.34Å; P205-T337 WeakPolarHBondContact CG-O 3.25Å; P205-P341 HydrophobicContact CG-CG 4.13Å
206	N	95.9	Very high	95.1	Very high	3 Å²	3	44 Å²	44	2%	0.016	22%	0.218	C	C	.	.			trans	-89.6	86.9	-164.6	-168	-15.7	0	0	0	112.6	A198 E199 E201 Y204 H208 G209 C210	A198-N206 PolarHBondContact O-ND2 3.34Å; A198-N206 PolarHBondContact O-OD1 3.39Å; E199-N206 PolarHBondContact O-ND2 2.96Å; E199-N206 VanDerWaalsContact O-ND2 3.14Å; E201-N206 PolarHBondContact N-ND2 2.82Å; E201-N206 WeakPolarHBondContact O-CB 3.41Å; E201-N206 PolarHBondContact O-ND2 2.97Å; Y204-N206 HydrophobicContact CD2-CB 4.31Å; Y204-N206 HydrophobicContact CE2-CB 4.23Å; Y204-N206 PolarHBondContact O-N 2.82Å; N206-H208 PolarHBondContact O-N 3.14Å; N206-H208 WeakPolarHBondContact OD1-CA 3.29Å; N206-H208 WeakPolarHBondContact OD1-CB 3.24Å; N206-H208 PolarHBondContact OD1-N 3.37Å; N206-G209 PolarHBondContact OD1-N 3.06Å; N206-C210 WeakPolarHBondContact O-CB 3.25Å; N206-C210 PolarHBondContact O-N 3.41Å
207	Y	93.3	Very high	94.7	Very high	74 Å²	74	43.4 Å²	43.4	29%	0.29	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.9	175.6	-51.9	-64.9	0	0	0	114.2	P205 L213 K214 S217	P205-Y207 HydrophobicContact CB-CE1 4.46Å; P205-Y207 HydrophobicContact CB-CE2 4.15Å; P205-Y207 WeakPolarHBondContact O-CD2 3.45Å; P205-Y207 WeakPolarHBondContact O-CE2 3.43Å; P205-Y207 PolarHBondContact O-N 2.88Å; P205-Y207 VanDerWaalsContact O-N 3.13Å; Y207-L213 HydrophobicContact CD1-CD2 4Å; Y207-L213 HydrophobicContact CD1-CG 3.73Å; Y207-L213 HydrophobicContact CE1-CD1 4.01Å; Y207-L213 HydrophobicContact CE1-CD2 3.88Å; Y207-L213 HydrophobicContact CE1-CG 3.57Å; Y207-K214 WeakPolarHBondContact O-CD 3.47Å; Y207-S217 VanDerWaalsContact CE1-CB 3.41Å; Y207-S217 VanDerWaalsContact CE1-OG 3.26Å; Y207-S217 WeakPolarHBondContact CE1-OG 3.32Å
208	H	91.4	Very high	94.5	Very high	117 Å²	117	40.5 Å²	40.5	54%	0.542	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-50.7	176.1	-59.1	-84.1	0	0	0	110.6	N206	N206-H208 PolarHBondContact O-N 3.14Å; N206-H208 WeakPolarHBondContact OD1-CA 3.29Å; N206-H208 WeakPolarHBondContact OD1-CB 3.24Å; N206-H208 PolarHBondContact OD1-N 3.37Å
209	G	92.3	Very high	94.2	Very high	33 Å²	33	44.4 Å²	44.4	34%	0.34	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-19.9	-179.1	0	0	0	0	0	115	E199 N206	E199-G209 WeakPolarHBondContact O-CA 3.36Å; N206-G209 PolarHBondContact OD1-N 3.06Å
210	C	96	Very high	94	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.			trans	-115.6	100.6	-176	-166.1	0	0	0	0	113.6	N206 L212 L213 K214 Y413 C417	N206-C210 WeakPolarHBondContact O-CB 3.25Å; N206-C210 PolarHBondContact O-N 3.41Å; C210-L212 PolarHBondContact O-N 3.12Å; C210-L213 HydrophobicContact CB-CB 3.82Å; C210-L213 PolarHBondContact O-N 2.82Å; C210-L213 VanDerWaalsContact SG-CB 3.53Å; C210-K214 WeakPolarHBondContact O-CB 3.37Å; C210-K214 PolarHBondContact O-N 2.94Å; C210-Y413 HydrophobicContact CB-CE2 4.49Å; C210-Y413 WeakPolarHBondContact CB-OH 3.44Å; C210-C417 HydrophobicContact CB-CB 3.84Å; C210-C417 WeakPolarHBondContact CB-SG 3.32Å; C210-C417 VanDerWaalsContact SG-CA 3.51Å; C210-C417 WeakPolarHBondContact SG-CB 3.37Å; C210-C417 CovalentContact SG-SG 2.04Å; C210-C417 PolarHBondContact SG-SG 3.22Å
211	R	94.1	Very high	93.9	Very high	119 Å²	119	44.6 Å²	44.6	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-44.6	-179.8	-175.7	177.1	178.9	179.8	-0.9	112.5	K214 L215 T420 E425	R211-K214 WeakPolarHBondContact O-CB 3.48Å; R211-K214 PolarHBondContact O-N 3.5Å; R211-L215 HydrophobicContact CG-CD1 4.21Å; R211-L215 WeakPolarHBondContact O-CG 3.4Å; R211-L215 PolarHBondContact O-N 3.35Å; R211-T420 HydrophobicContact CG-CG2 4.47Å; R211-T420 VanDerWaalsContact CZ-CG2 3.49Å; R211-E425 IonicContact CZ-OE1 3.06Å; R211-E425 IonicContact NE-OE1 2.73Å; R211-E425 IonicContact NH2-OE1 2.65Å; R211-E425 PolarHBondContact NH2-OE1 2.65Å; R211-E425 IonicContact NH2-OE2 3.88Å
212	L	94.1	Very high	93.5	Very high	16 Å²	16	47.9 Å²	47.9	8%	0.084	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-49.3	178.2	179.3	58.1	0	0	0	111.5	C210 K214 L215 L216 L301 L416 C417 V423	C210-L212 PolarHBondContact O-N 3.12Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-K214 PolarHBondContact O-N 3.12Å; L212-L215 PolarHBondContact O-N 3.31Å; L212-L216 HydrophobicContact CD1-CD1 4.05Å; L212-L216 HydrophobicContact CD1-CG 4.07Å; L212-L216 HydrophobicContact CG-CD1 4Å; L212-L216 HydrophobicContact CG-CG 4.43Å; L212-L216 WeakPolarHBondContact O-CG 3.2Å; L212-L216 PolarHBondContact O-N 2.91Å; L212-L301 HydrophobicContact CB-CD1 4.46Å; L212-L301 HydrophobicContact CD2-CD1 3.84Å; L212-L301 HydrophobicContact CG-CD1 3.9Å; L212-L416 WeakPolarHBondContact CD2-O 3.4Å; L212-C417 PolarHBondContact N-O 3.29Å; L212-V423 HydrophobicContact CD1-CG2 4.49Å
213	L	94.8	Very high	93.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-41.5	178.1	178.7	61.7	0	0	0	111.9	P205 Y207 C210 L215 L216 S217 L301	P205-L213 HydrophobicContact CB-CD2 4.04Å; Y207-L213 HydrophobicContact CD1-CD2 4Å; Y207-L213 HydrophobicContact CD1-CG 3.73Å; Y207-L213 HydrophobicContact CE1-CD1 4.01Å; Y207-L213 HydrophobicContact CE1-CD2 3.88Å; Y207-L213 HydrophobicContact CE1-CG 3.57Å; C210-L213 HydrophobicContact CB-CB 3.82Å; C210-L213 PolarHBondContact O-N 2.82Å; C210-L213 VanDerWaalsContact SG-CB 3.53Å; L213-L215 PolarHBondContact O-N 3.44Å; L213-L216 PolarHBondContact O-N 2.99Å; L213-S217 VanDerWaalsContact O-CB 3.23Å; L213-S217 WeakPolarHBondContact O-CB 3.48Å; L213-S217 PolarHBondContact O-N 3.16Å; L213-S217 PolarHBondContact O-OG 2.91Å; L213-S217 VanDerWaalsContact O-OG 3.13Å; L213-L301 HydrophobicContact CB-CB 4.18Å; L213-L301 HydrophobicContact CB-CD1 4.36Å; L213-L301 HydrophobicContact CD1-CB 4.01Å; L213-L301 HydrophobicContact CD2-CB 4.46Å; L213-L301 HydrophobicContact CG-CB 4.42Å
214	K	94.2	Very high	93.1	Very high	130 Å²	130	51.9 Å²	51.9	57%	0.565	26%	0.259	S	S	*	.	H	α-helix	trans	-58.9	-44.6	175.6	-174.8	-177.3	-176.1	174.3	0	112	Y207 C210 R211 L212 G218	Y207-K214 WeakPolarHBondContact O-CD 3.47Å; C210-K214 WeakPolarHBondContact O-CB 3.37Å; C210-K214 PolarHBondContact O-N 2.94Å; R211-K214 WeakPolarHBondContact O-CB 3.48Å; R211-K214 PolarHBondContact O-N 3.5Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-K214 PolarHBondContact O-N 3.12Å; K214-G218 PolarHBondContact O-N 2.77Å
215	L	92	Very high	93	Very high	29 Å²	29	52.1 Å²	52.1	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-52.5	177.4	-71.9	168.1	0	0	0	111.2	R211 L212 L213 S217 G218 H219 V423	R211-L215 HydrophobicContact CG-CD1 4.21Å; R211-L215 WeakPolarHBondContact O-CG 3.4Å; R211-L215 PolarHBondContact O-N 3.35Å; L212-L215 PolarHBondContact O-N 3.31Å; L213-L215 PolarHBondContact O-N 3.44Å; L215-S217 VanDerWaalsContact C-N 3.34Å; L215-S217 PolarHBondContact O-N 2.94Å; L215-G218 PolarHBondContact O-N 2.55Å; L215-H219 PolarHBondContact O-CD2 3.29Å; L215-H219 PolarHBondContact O-N 2.82Å; L215-V423 HydrophobicContact CB-CG1 4.41Å; L215-V423 HydrophobicContact CD1-CG1 4.42Å
216	L	90.9	Very high	92.8	Very high	50 Å²	50	56.5 Å²	56.5	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-58.6	-46.1	-179.6	-67.9	176	0	0	0	111.6	L212 L213 R220 L301	L212-L216 HydrophobicContact CD1-CD1 4.05Å; L212-L216 HydrophobicContact CD1-CG 4.07Å; L212-L216 HydrophobicContact CG-CD1 4Å; L212-L216 HydrophobicContact CG-CG 4.43Å; L212-L216 WeakPolarHBondContact O-CG 3.2Å; L212-L216 PolarHBondContact O-N 2.91Å; L213-L216 PolarHBondContact O-N 2.99Å; L216-R220 WeakPolarHBondContact O-CG 3.46Å; L216-L301 HydrophobicContact CD1-CD1 4.06Å
217	S	90.9	Very high	92.8	Very high	6 Å²	6	58.9 Å²	58.9	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-75.4	-31.1	-178	-64.1	0	0	0	0	112.8	Y207 L213 L215 H219 R220 W221	Y207-S217 VanDerWaalsContact CE1-CB 3.41Å; Y207-S217 VanDerWaalsContact CE1-OG 3.26Å; Y207-S217 WeakPolarHBondContact CE1-OG 3.32Å; L213-S217 VanDerWaalsContact O-CB 3.23Å; L213-S217 WeakPolarHBondContact O-CB 3.48Å; L213-S217 PolarHBondContact O-N 3.16Å; L213-S217 PolarHBondContact O-OG 2.91Å; L213-S217 VanDerWaalsContact O-OG 3.13Å; L215-S217 VanDerWaalsContact C-N 3.34Å; L215-S217 PolarHBondContact O-N 2.94Å; S217-H219 PolarHBondContact O-N 3.44Å; S217-R220 PolarHBondContact O-N 3.32Å; S217-W221 VanDerWaalsContact O-CB 3.31Å; S217-W221 WeakPolarHBondContact O-CB 3.46Å; S217-W221 PolarHBondContact O-N 3.36Å
218	G	90.6	Very high	92.9	Very high	41 Å²	41	60.2 Å²	60.2	42%	0.423	32%	0.322	S	S	.	.	H	α-helix	trans	-59.7	-47.1	179.7	0	0	0	0	0	113	K214 L215 W221 A222	K214-G218 PolarHBondContact O-N 2.77Å; L215-G218 PolarHBondContact O-N 2.55Å; G218-W221 PolarHBondContact O-N 2.89Å; G218-A222 PolarHBondContact O-N 2.67Å; G218-A222 VanDerWaalsContact O-N 3.1Å
219	H	88.8	Confident	93.1	Very high	91 Å²	91	59.8 Å²	59.8	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-46.6	175.8	-75.7	-73.6	0	0	0	111.9	L215 S217 W221 A222 E223	L215-H219 PolarHBondContact O-CD2 3.29Å; L215-H219 PolarHBondContact O-N 2.82Å; S217-H219 PolarHBondContact O-N 3.44Å; H219-W221 VanDerWaalsContact C-N 3.32Å; H219-W221 PolarHBondContact O-N 3.2Å; H219-A222 WeakPolarHBondContact O-CB 3.31Å; H219-A222 PolarHBondContact O-N 2.88Å; H219-E223 WeakPolarHBondContact O-CG 3.44Å; H219-E223 PolarHBondContact O-N 2.68Å
220	R	91.3	Very high	93.4	Very high	34 Å²	34	58.4 Å²	58.4	13%	0.128	31%	0.308	C	S	.	.	H	α-helix	trans	-67.6	-34.2	-179.2	-59.3	-177	77.8	82.8	0.9	112.5	L216 S217 A222 E223 S224 H289 I290 E292	L216-R220 WeakPolarHBondContact O-CG 3.46Å; S217-R220 PolarHBondContact O-N 3.32Å; R220-A222 VanDerWaalsContact C-N 3.34Å; R220-E223 PolarHBondContact O-N 3.16Å; R220-S224 VanDerWaalsContact O-CB 3.31Å; R220-S224 WeakPolarHBondContact O-CB 3.06Å; R220-S224 PolarHBondContact O-N 3.4Å; R220-H289 PolarHBondContact NE-O 3.44Å; R220-H289 PolarHBondContact NH2-O 3.08Å; R220-I290 WeakPolarHBondContact CD-O 3.42Å; R220-I290 PolarHBondContact NE-O 2.94Å; R220-E292 VanDerWaalsContact CZ-CB 3.42Å; R220-E292 IonicContact CZ-OE1 2.78Å; R220-E292 IonicContact CZ-OE2 2.8Å; R220-E292 VanDerWaalsContact CZ-OE2 3.32Å; R220-E292 IonicContact NE-OE2 3.39Å; R220-E292 IonicContact NH1-OE1 3.6Å; R220-E292 PolarHBondContact NH1-OE1 3.32Å; R220-E292 IonicContact NH1-OE2 2.75Å; R220-E292 PolarHBondContact NH1-OE2 3.01Å; R220-E292 VanDerWaalsContact NH2-CB 3.3Å; R220-E292 VanDerWaalsContact NH2-CD 3.27Å; R220-E292 IonicContact NH2-OE1 3Å; R220-E292 PolarHBondContact NH2-OE1 2.89Å; R220-E292 IonicContact NH2-OE2 3.9Å
221	W	92.4	Very high	93.4	Very high	147 Å²	147	59.1 Å²	59.1	56%	0.557	31%	0.314	S	S	*	.	H	α-helix	trans	-63.1	-44.7	174.1	-155	70.5	0	0	0	110.4	S217 G218 H219 E223 S224 I290	S217-W221 VanDerWaalsContact O-CB 3.31Å; S217-W221 WeakPolarHBondContact O-CB 3.46Å; S217-W221 PolarHBondContact O-N 3.36Å; G218-W221 PolarHBondContact O-N 2.89Å; H219-W221 VanDerWaalsContact C-N 3.32Å; H219-W221 PolarHBondContact O-N 3.2Å; W221-E223 PolarHBondContact O-N 3.48Å; W221-S224 PolarHBondContact O-N 3.38Å; W221-S224 PolarHBondContact O-OG 3.04Å; W221-I290 VanDerWaalsContact CD1-CD1 3.42Å; W221-I290 HydrophobicContact CG-CD1 4.46Å
222	A	90.7	Very high	93.5	Very high	70 Å²	70	55 Å²	55	58%	0.579	31%	0.306	S	S	*	.	H	α-helix	trans	-63.2	-37.5	175.7	0	0	0	0	0	113.1	G218 H219 R220	G218-A222 PolarHBondContact O-N 2.67Å; G218-A222 VanDerWaalsContact O-N 3.1Å; H219-A222 WeakPolarHBondContact O-CB 3.31Å; H219-A222 PolarHBondContact O-N 2.88Å; R220-A222 VanDerWaalsContact C-N 3.34Å
223	E	93.5	Very high	93.7	Very high	97 Å²	97	55.7 Å²	55.7	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-78.6	-27.4	178.5	-71.2	177.3	179.3	0	0	113.7	H219 R220 W221 S225 T226 L227	H219-E223 WeakPolarHBondContact O-CG 3.44Å; H219-E223 PolarHBondContact O-N 2.68Å; R220-E223 PolarHBondContact O-N 3.16Å; W221-E223 PolarHBondContact O-N 3.48Å; E223-S225 PolarHBondContact O-N 3.31Å; E223-T226 PolarHBondContact O-N 3.45Å; E223-T226 PolarHBondContact O-OG1 3.05Å; E223-L227 PolarHBondContact O-N 2.96Å
224	S	94.5	Very high	93.8	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.007	31%	0.313	C	S	.	.	H	α-helix	trans	-54.9	-36.2	-171.5	65.1	0	0	0	0	113.8	R220 W221 I230 M286	R220-S224 VanDerWaalsContact O-CB 3.31Å; R220-S224 WeakPolarHBondContact O-CB 3.06Å; R220-S224 PolarHBondContact O-N 3.4Å; W221-S224 PolarHBondContact O-N 3.38Å; W221-S224 PolarHBondContact O-OG 3.04Å; S224-I230 WeakPolarHBondContact O-CG2 3.5Å; S224-M286 WeakPolarHBondContact OG-CE 3.35Å
225	S	93.5	Very high	93.9	Very high	33 Å²	33	58 Å²	58	23%	0.231	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-10.1	178.9	-62.4	0	0	0	0	113.9	E223 M286	E223-S225 PolarHBondContact O-N 3.31Å; S225-M286 WeakPolarHBondContact OG-CE 3.38Å
226	T	93.8	Very high	94.2	Very high	96 Å²	96	59.5 Å²	59.5	59%	0.589	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-8.7	-178.7	70.1	0	0	0	0	113.1	E223	E223-T226 PolarHBondContact O-N 3.45Å; E223-T226 PolarHBondContact O-OG1 3.05Å
227	L	95	Very high	94.5	Very high	52 Å²	52	57.1 Å²	57.1	27%	0.272	32%	0.316	S	S	.	.	S	Bend	trans	-52	132.6	172.7	-67.1	174.4	0	0	0	110.4	E223 D229 I230 A231 H289	E223-L227 PolarHBondContact O-N 2.96Å; L227-D229 PolarHBondContact O-N 2.77Å; L227-D229 VanDerWaalsContact O-N 3.15Å; L227-I230 HydrophobicContact CB-CB 4.23Å; L227-I230 HydrophobicContact CB-CD1 4.03Å; L227-I230 HydrophobicContact CD1-CD1 3.72Å; L227-I230 HydrophobicContact CG-CD1 4.47Å; L227-I230 PolarHBondContact O-N 3.44Å; L227-A231 WeakPolarHBondContact O-CB 3.47Å; L227-A231 PolarHBondContact O-N 3.2Å; L227-H289 HydrophobicContact CD1-CB 3.99Å
228	P	96	Very high	94.7	Very high	103 Å²	103	58 Å²	58	67%	0.669	32%	0.319	S	S	*	.	H	α-helix	trans	-50.7	-49.9	-162.7	-31	35	0	0	0	115	A232	P228-A232 WeakPolarHBondContact O-CB 3.47Å; P228-A232 PolarHBondContact O-N 3.3Å
229	D	96.2	Very high	94.9	Very high	107 Å²	107	60.6 Å²	60.6	57%	0.572	33%	0.331	S	S	*	.	H	α-helix	trans	-71.7	-39.5	-177.9	-68.9	-13.9	0	0	0	112.5	L227 A232 D233	L227-D229 PolarHBondContact O-N 2.77Å; L227-D229 VanDerWaalsContact O-N 3.15Å; D229-A232 PolarHBondContact O-N 2.92Å; D229-D233 PolarHBondContact O-N 2.99Å
230	I	97.3	Very high	95.2	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-65.6	-45.6	175.6	-73	160.9	0	0	0	109.7	S224 L227 A232 D233 L234 F251 E285 M286	S224-I230 WeakPolarHBondContact O-CG2 3.5Å; L227-I230 HydrophobicContact CB-CB 4.23Å; L227-I230 HydrophobicContact CB-CD1 4.03Å; L227-I230 HydrophobicContact CD1-CD1 3.72Å; L227-I230 HydrophobicContact CG-CD1 4.47Å; L227-I230 PolarHBondContact O-N 3.44Å; I230-A232 VanDerWaalsContact C-N 3.33Å; I230-A232 PolarHBondContact O-N 3.4Å; I230-D233 PolarHBondContact O-N 2.68Å; I230-L234 WeakPolarHBondContact O-CB 3.43Å; I230-L234 PolarHBondContact O-N 3.48Å; I230-F251 HydrophobicContact CG2-CD2 3.99Å; I230-F251 HydrophobicContact CG2-CE2 4.17Å; I230-E285 HydrophobicContact CD1-CB 4.15Å; I230-M286 HydrophobicContact CD1-CG 3.83Å; I230-M286 HydrophobicContact CG2-CG 4.19Å; I230-M286 HydrophobicContact CG2-SD 4.35Å
231	A	96.9	Very high	95.4	Very high	15 Å²	15	57.4 Å²	57.4	12%	0.124	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-38.7	179.5	0	0	0	0	0	111.9	L227 R235	L227-A231 WeakPolarHBondContact O-CB 3.47Å; L227-A231 PolarHBondContact O-N 3.2Å; A231-R235 WeakPolarHBondContact O-CG 3.31Å; A231-R235 PolarHBondContact O-N 2.96Å; A231-R235 PolarHBondContact O-NH1 2.71Å
232	A	97.3	Very high	95.5	Very high	33 Å²	33	53.3 Å²	53.3	27%	0.273	33%	0.33	S	S	.	.	H	α-helix	trans	-65	-48	175.9	0	0	0	0	0	112.2	P228 D229 I230 L234 R235 S236	P228-A232 WeakPolarHBondContact O-CB 3.47Å; P228-A232 PolarHBondContact O-N 3.3Å; D229-A232 PolarHBondContact O-N 2.92Å; I230-A232 VanDerWaalsContact C-N 3.33Å; I230-A232 PolarHBondContact O-N 3.4Å; A232-L234 VanDerWaalsContact C-N 3.34Å; A232-R235 PolarHBondContact O-N 3.41Å; A232-S236 PolarHBondContact O-N 3.16Å; A232-S236 VanDerWaalsContact O-N 3.15Å; A232-S236 PolarHBondContact O-OG 3.34Å
233	D	97.9	Very high	95.6	Very high	31 Å²	31	50.5 Å²	50.5	17%	0.166	31%	0.305	C	S	.	.	H	α-helix	trans	-67.3	-37.2	177.4	-76	-8.6	0	0	0	111.3	D229 I230 S236 I237 F251 W275 T278 R281 R282	D229-D233 PolarHBondContact O-N 2.99Å; I230-D233 PolarHBondContact O-N 2.68Å; D233-S236 PolarHBondContact O-N 3.36Å; D233-I237 WeakPolarHBondContact O-CG2 3.39Å; D233-I237 PolarHBondContact O-N 3.05Å; D233-F251 HydrophobicContact CB-CE2 4.08Å; D233-F251 HydrophobicContact CB-CZ 3.7Å; D233-W275 HydrophobicContact CB-CZ3 4.12Å; D233-T278 HydrophobicContact CB-CG2 4.29Å; D233-T278 WeakPolarHBondContact OD2-CG2 3.39Å; D233-R281 IonicContact OD2-NH2 3.17Å; D233-R282 HydrophobicContact CB-CG 4.48Å; D233-R282 IonicContact OD2-CZ 3.55Å; D233-R282 IonicContact OD2-NE 2.7Å; D233-R282 PolarHBondContact OD2-NE 2.68Å; D233-R282 IonicContact OD2-NH2 3.34Å; D233-R282 PolarHBondContact OD2-NH2 2.71Å
234	L	97	Very high	95.5	Very high	15 Å²	15	47.7 Å²	47.7	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-40.4	178.5	-171	61.5	0	0	0	111.4	I230 A232 S236 I237 K238 F251 I254	I230-L234 WeakPolarHBondContact O-CB 3.43Å; I230-L234 PolarHBondContact O-N 3.48Å; A232-L234 VanDerWaalsContact C-N 3.34Å; L234-S236 VanDerWaalsContact C-N 3.32Å; L234-S236 PolarHBondContact O-N 2.98Å; L234-I237 HydrophobicContact CD1-CG2 4.23Å; L234-I237 WeakPolarHBondContact O-CG2 3.35Å; L234-K238 HydrophobicContact CD1-CD 4.33Å; L234-K238 HydrophobicContact CD1-CG 4.38Å; L234-K238 HydrophobicContact CG-CD 4.07Å; L234-K238 VanDerWaalsContact O-CB 3.27Å; L234-K238 WeakPolarHBondContact O-CB 3.38Å; L234-K238 WeakPolarHBondContact O-CG 3.44Å; L234-K238 PolarHBondContact O-N 2.95Å; L234-F251 HydrophobicContact CB-CD2 4.44Å; L234-F251 HydrophobicContact CB-CE2 3.75Å; L234-F251 HydrophobicContact CB-CZ 4.3Å; L234-F251 HydrophobicContact CD1-CD2 4.17Å; L234-F251 HydrophobicContact CD1-CE2 4.07Å; L234-F251 HydrophobicContact CD1-CZ 4.41Å; L234-F251 HydrophobicContact CG-CE2 4.49Å; L234-I254 HydrophobicContact CD1-CD1 4.27Å
235	R	96.4	Very high	95.1	Very high	164 Å²	164	51.9 Å²	51.9	62%	0.619	33%	0.333	S	S	*	.	H	α-helix	trans	-59.6	-45	171.4	-76.3	-171.9	-59.2	-89.9	4.6	111.3	A231 A232 S239	A231-R235 WeakPolarHBondContact O-CG 3.31Å; A231-R235 PolarHBondContact O-N 2.96Å; A231-R235 PolarHBondContact O-NH1 2.71Å; A232-R235 PolarHBondContact O-N 3.41Å; R235-S239 PolarHBondContact O-N 2.82Å
236	S	97.3	Very high	94.7	Very high	60 Å²	60	58.1 Å²	58.1	42%	0.42	36%	0.358	S	S	.	.	H	α-helix	trans	-66.6	-47.4	-176.6	-58.5	0	0	0	0	112.2	A232 D233 L234 S239 A240	A232-S236 PolarHBondContact O-N 3.16Å; A232-S236 VanDerWaalsContact O-N 3.15Å; A232-S236 PolarHBondContact O-OG 3.34Å; D233-S236 PolarHBondContact O-N 3.36Å; L234-S236 VanDerWaalsContact C-N 3.32Å; L234-S236 PolarHBondContact O-N 2.98Å; S236-S239 PolarHBondContact O-N 3.35Å; S236-A240 WeakPolarHBondContact O-CB 3.45Å; S236-A240 PolarHBondContact O-N 3.46Å
237	I	96.7	Very high	94.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-69.4	-36.4	179.1	-162.5	174.2	0	0	0	112	D233 L234 S239 A240 L241 F251 I254 L272 W275 V279	D233-I237 WeakPolarHBondContact O-CG2 3.39Å; D233-I237 PolarHBondContact O-N 3.05Å; L234-I237 HydrophobicContact CD1-CG2 4.23Å; L234-I237 WeakPolarHBondContact O-CG2 3.35Å; I237-S239 VanDerWaalsContact C-N 3.34Å; I237-S239 PolarHBondContact O-N 3.37Å; I237-A240 PolarHBondContact O-N 2.88Å; I237-L241 HydrophobicContact CD1-CD1 4.33Å; I237-L241 HydrophobicContact CG1-CD1 3.87Å; I237-L241 HydrophobicContact CG1-CG 4.23Å; I237-L241 WeakPolarHBondContact O-CB 3.2Å; I237-L241 WeakPolarHBondContact O-CG 3.43Å; I237-L241 PolarHBondContact O-N 3.18Å; I237-F251 HydrophobicContact CD1-CE1 4.09Å; I237-F251 HydrophobicContact CG2-CE1 3.91Å; I237-F251 HydrophobicContact CG2-CZ 3.98Å; I237-I254 HydrophobicContact CD1-CD1 4.31Å; I237-I254 HydrophobicContact CD1-CG2 4.26Å; I237-I254 HydrophobicContact CG2-CD1 4.01Å; I237-L272 HydrophobicContact CD1-CD2 4.12Å; I237-W275 HydrophobicContact CB-CD2 3.94Å; I237-W275 HydrophobicContact CB-CE3 3.84Å; I237-W275 HydrophobicContact CB-CH2 4.2Å; I237-W275 HydrophobicContact CB-CZ2 4.26Å; I237-W275 HydrophobicContact CB-CZ3 3.97Å; I237-W275 HydrophobicContact CD1-CB 3.82Å; I237-W275 HydrophobicContact CD1-CD2 3.84Å; I237-W275 HydrophobicContact CD1-CE3 3.81Å; I237-W275 HydrophobicContact CD1-CG 3.85Å; I237-W275 HydrophobicContact CG1-CB 4.39Å; I237-W275 HydrophobicContact CG1-CD2 3.74Å; I237-W275 HydrophobicContact CG1-CE3 3.98Å; I237-W275 HydrophobicContact CG1-CG 3.92Å; I237-V279 HydrophobicContact CD1-CG2 3.43Å; I237-V279 VanDerWaalsContact CD1-CG2 3.43Å
238	K	95.7	Very high	94.1	Very high	23 Å²	23	65.8 Å²	65.8	10%	0.1	38%	0.376	C	S	.	.	H	α-helix	trans	-61	-45.2	173.6	-75.2	175.7	73	170.8	0	111	L234 A240 L241 G242 I243 A244 A245 Q247	L234-K238 HydrophobicContact CD1-CD 4.33Å; L234-K238 HydrophobicContact CD1-CG 4.38Å; L234-K238 HydrophobicContact CG-CD 4.07Å; L234-K238 VanDerWaalsContact O-CB 3.27Å; L234-K238 WeakPolarHBondContact O-CB 3.38Å; L234-K238 WeakPolarHBondContact O-CG 3.44Å; L234-K238 PolarHBondContact O-N 2.95Å; K238-A240 VanDerWaalsContact C-N 3.34Å; K238-A240 PolarHBondContact O-N 3.1Å; K238-L241 PolarHBondContact O-N 3.48Å; K238-G242 PolarHBondContact O-N 3.39Å; K238-I243 HydrophobicContact CB-CB 4.15Å; K238-I243 HydrophobicContact CG-CB 4.25Å; K238-I243 HydrophobicContact CG-CG2 4.29Å; K238-I243 PolarHBondContact O-N 2.81Å; K238-A244 WeakPolarHBondContact CE-O 3.26Å; K238-A244 PolarHBondContact NZ-O 3.18Å; K238-A245 PolarHBondContact NZ-O 3.05Å; K238-Q247 PolarHBondContact NZ-O 3.35Å
239	S	95.4	Very high	93.9	Very high	97 Å²	97	61.3 Å²	61.3	68%	0.678	35%	0.347	S	S	*	.	H	α-helix	trans	-60.3	-43.9	174.4	-172	0	0	0	0	111.6	R235 S236 I237 G242	R235-S239 PolarHBondContact O-N 2.82Å; S236-S239 PolarHBondContact O-N 3.35Å; I237-S239 VanDerWaalsContact C-N 3.34Å; I237-S239 PolarHBondContact O-N 3.37Å; S239-G242 PolarHBondContact O-N 3.24Å
240	A	95.3	Very high	93.9	Very high	46 Å²	46	57.3 Å²	57.3	38%	0.38	33%	0.325	S	S	.	.	H	α-helix	trans	-67.5	-35.4	-179	0	0	0	0	0	112.6	S236 I237 K238 G242 V271	S236-A240 WeakPolarHBondContact O-CB 3.45Å; S236-A240 PolarHBondContact O-N 3.46Å; I237-A240 PolarHBondContact O-N 2.88Å; K238-A240 VanDerWaalsContact C-N 3.34Å; K238-A240 PolarHBondContact O-N 3.1Å; A240-G242 VanDerWaalsContact C-N 3.32Å; A240-V271 HydrophobicContact CB-CG1 3.58Å
241	L	94.6	Very high	93.9	Very high	12 Å²	12	57.1 Å²	57.1	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-80.6	-9.2	175.5	-70.1	170.1	0	0	0	113.3	I73 I237 K238 I243 I254 P269 V271 L272	I73-L241 WeakPolarHBondContact CD1-O 3.35Å; I237-L241 HydrophobicContact CD1-CD1 4.33Å; I237-L241 HydrophobicContact CG1-CD1 3.87Å; I237-L241 HydrophobicContact CG1-CG 4.23Å; I237-L241 WeakPolarHBondContact O-CB 3.2Å; I237-L241 WeakPolarHBondContact O-CG 3.43Å; I237-L241 PolarHBondContact O-N 3.18Å; K238-L241 PolarHBondContact O-N 3.48Å; L241-I243 VanDerWaalsContact C-N 3.33Å; L241-I243 HydrophobicContact CB-CD1 3.85Å; L241-I243 HydrophobicContact CB-CG1 3.86Å; L241-I243 HydrophobicContact CD1-CD1 3.8Å; L241-I243 HydrophobicContact CG-CD1 4.49Å; L241-I254 HydrophobicContact CD1-CD1 4.49Å; L241-P269 HydrophobicContact CD2-CB 3.85Å; L241-P269 HydrophobicContact CD2-CG 4.33Å; L241-V271 HydrophobicContact CD2-CB 4.14Å; L241-V271 HydrophobicContact CD2-CG1 4.19Å; L241-V271 HydrophobicContact CG-CG1 4.4Å; L241-L272 HydrophobicContact CD1-CD2 4.16Å; L241-L272 HydrophobicContact CD2-CD2 4.02Å; L241-L272 HydrophobicContact CD2-CG 4.18Å
242	G	93.8	Very high	94	Very high	61 Å²	61	58.1 Å²	58.1	63%	0.629	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	22.1	-174.6	0	0	0	0	0	114.1	K238 S239 A240	K238-G242 PolarHBondContact O-N 3.39Å; S239-G242 PolarHBondContact O-N 3.24Å; A240-G242 VanDerWaalsContact C-N 3.32Å
243	I	93.6	Very high	93.9	Very high	10 Å²	10	57.8 Å²	57.8	5%	0.051	32%	0.32	C	S	.	.			trans	-80.9	131.5	177.9	-60.6	170.4	0	0	0	109.4	I70 I73 K238 L241 Q247 V249	I70-I243 HydrophobicContact CG2-CD1 3.6Å; I70-I243 HydrophobicContact CG2-CG1 4.3Å; I73-I243 HydrophobicContact CD1-CG1 4.43Å; I73-I243 HydrophobicContact CG1-CG1 3.96Å; K238-I243 HydrophobicContact CB-CB 4.15Å; K238-I243 HydrophobicContact CG-CB 4.25Å; K238-I243 HydrophobicContact CG-CG2 4.29Å; K238-I243 PolarHBondContact O-N 2.81Å; L241-I243 VanDerWaalsContact C-N 3.33Å; L241-I243 HydrophobicContact CB-CD1 3.85Å; L241-I243 HydrophobicContact CB-CG1 3.86Å; L241-I243 HydrophobicContact CD1-CD1 3.8Å; L241-I243 HydrophobicContact CG-CD1 4.49Å; I243-Q247 HydrophobicContact CG2-CB 3.96Å; I243-Q247 HydrophobicContact CG2-CG 4.33Å; I243-V249 HydrophobicContact CD1-CG1 4.42Å; I243-V249 HydrophobicContact CG2-CG2 4.3Å
244	A	90.9	Very high	93.9	Very high	39 Å²	39	56.3 Å²	56.3	32%	0.322	31%	0.312	S	S	.	.			trans	-63.5	142.5	179.9	0	0	0	0	0	112.2	K238 Q246 Q247	K238-A244 WeakPolarHBondContact CE-O 3.26Å; K238-A244 PolarHBondContact NZ-O 3.18Å; A244-Q246 VanDerWaalsContact C-N 3.27Å; A244-Q246 PolarHBondContact O-N 2.89Å; A244-Q247 VanDerWaalsContact O-CB 3.3Å; A244-Q247 WeakPolarHBondContact O-CB 3.2Å; A244-Q247 PolarHBondContact O-N 2.66Å
245	A	85.8	Confident	93.9	Very high	89 Å²	89	56.2 Å²	56.2	74%	0.736	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-36.9	-172.9	0	0	0	0	0	113.3	K238 Q247	K238-A245 PolarHBondContact NZ-O 3.05Å; A245-Q247 VanDerWaalsContact C-N 3.3Å; A245-Q247 PolarHBondContact O-N 3.18Å
246	Q	86.5	Confident	94	Very high	163 Å²	163	49.2 Å²	49.2	76%	0.762	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-17	179.3	70.4	-80.6	16.3	0	0	114.2	A244 R248	A244-Q246 VanDerWaalsContact C-N 3.27Å; A244-Q246 PolarHBondContact O-N 2.89Å; Q246-R248 PolarHBondContact O-N 3.12Å
247	Q	87.4	Confident	94	Very high	67 Å²	67	46.3 Å²	46.3	31%	0.313	27%	0.266	S	S	.	.	S	Bend	trans	-73.5	128.3	-176.9	-163.4	160.1	10.7	0	0	110.2	P71 K238 I243 A244 A245 V249	P71-Q247 HydrophobicContact CG-CG 4.12Å; K238-Q247 PolarHBondContact NZ-O 3.35Å; I243-Q247 HydrophobicContact CG2-CB 3.96Å; I243-Q247 HydrophobicContact CG2-CG 4.33Å; A244-Q247 VanDerWaalsContact O-CB 3.3Å; A244-Q247 WeakPolarHBondContact O-CB 3.2Å; A244-Q247 PolarHBondContact O-N 2.66Å; A245-Q247 VanDerWaalsContact C-N 3.3Å; A245-Q247 PolarHBondContact O-N 3.18Å; Q247-V249 HydrophobicContact CG-CG2 4.28Å; Q247-V249 PolarHBondContact O-N 3.23Å; Q247-V249 VanDerWaalsContact O-N 3.16Å
248	R	88.3	Confident	94	Very high	243 Å²	243	46.3 Å²	46.3	92%	0.917	27%	0.266	S	S	*	.			trans	-79.4	98.4	-178.6	-65.6	-175.2	-177.6	-178.6	0.1	109.9	Q246	Q246-R248 PolarHBondContact O-N 3.12Å
249	V	92.6	Very high	94.2	Very high	9 Å²	9	46 Å²	46	6%	0.055	27%	0.266	C	S	.	.			trans	-137	137.8	176.3	173.9	0	0	0	0	107.2	P71 I243 Q247 L253 I254	P71-V249 HydrophobicContact CG-CG2 3.95Å; I243-V249 HydrophobicContact CD1-CG1 4.42Å; I243-V249 HydrophobicContact CG2-CG2 4.3Å; Q247-V249 HydrophobicContact CG-CG2 4.28Å; Q247-V249 PolarHBondContact O-N 3.23Å; Q247-V249 VanDerWaalsContact O-N 3.16Å; V249-L253 HydrophobicContact CG1-CD2 4.26Å; V249-I254 HydrophobicContact CG1-CD1 3.76Å; V249-I254 HydrophobicContact CG1-CG1 3.52Å
250	D	95.6	Very high	94.3	Very high	23 Å²	23	41.4 Å²	41.4	12%	0.123	23%	0.234	C	C	.	.			trans	-127.2	175.9	176.8	64.5	40.6	0	0	0	111.3	I252 L253 I254 M286	D250-I252 VanDerWaalsContact C-N 3.31Å; D250-I252 PolarHBondContact O-N 3.34Å; D250-I252 WeakPolarHBondContact OD1-CA 3.46Å; D250-I252 WeakPolarHBondContact OD1-CB 3.49Å; D250-I252 PolarHBondContact OD1-N 3.07Å; D250-L253 PolarHBondContact O-N 3.36Å; D250-L253 PolarHBondContact OD1-N 3.1Å; D250-I254 VanDerWaalsContact O-CG1 3.31Å; D250-I254 WeakPolarHBondContact O-CG1 3.37Å; D250-I254 PolarHBondContact O-N 3.16Å; D250-M286 HydrophobicContact CB-CE 3.71Å; D250-M286 HydrophobicContact CB-SD 4.2Å
251	F	97.8	Very high	94.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.8	-25.5	-179.1	-77.2	-72.9	0	0	0	113.9	I230 D233 L234 I237 R255 V279 R282 A283 M286	I230-F251 HydrophobicContact CG2-CD2 3.99Å; I230-F251 HydrophobicContact CG2-CE2 4.17Å; D233-F251 HydrophobicContact CB-CE2 4.08Å; D233-F251 HydrophobicContact CB-CZ 3.7Å; L234-F251 HydrophobicContact CB-CD2 4.44Å; L234-F251 HydrophobicContact CB-CE2 3.75Å; L234-F251 HydrophobicContact CB-CZ 4.3Å; L234-F251 HydrophobicContact CD1-CD2 4.17Å; L234-F251 HydrophobicContact CD1-CE2 4.07Å; L234-F251 HydrophobicContact CD1-CZ 4.41Å; L234-F251 HydrophobicContact CG-CE2 4.49Å; I237-F251 HydrophobicContact CD1-CE1 4.09Å; I237-F251 HydrophobicContact CG2-CE1 3.91Å; I237-F251 HydrophobicContact CG2-CZ 3.98Å; F251-R255 WeakPolarHBondContact O-CB 3.12Å; F251-R255 PolarHBondContact O-N 3.14Å; F251-V279 HydrophobicContact CD1-CB 4.36Å; F251-V279 HydrophobicContact CD1-CG2 4.09Å; F251-V279 HydrophobicContact CE1-CG2 4.17Å; F251-R282 HydrophobicContact CB-CB 3.95Å; F251-R282 HydrophobicContact CD1-CB 3.89Å; F251-R282 HydrophobicContact CD1-CG 4.49Å; F251-R282 HydrophobicContact CD2-CB 3.36Å; F251-R282 HydrophobicContact CD2-CG 4Å; F251-R282 HydrophobicContact CE1-CB 4.2Å; F251-R282 HydrophobicContact CE1-CG 4.3Å; F251-R282 HydrophobicContact CE2-CB 3.7Å; F251-R282 HydrophobicContact CE2-CG 3.77Å; F251-R282 HydrophobicContact CG-CB 3.46Å; F251-R282 VanDerWaalsContact CG-CB 3.46Å; F251-R282 HydrophobicContact CG-CG 4.34Å; F251-R282 HydrophobicContact CZ-CB 4.11Å; F251-R282 HydrophobicContact CZ-CG 3.95Å; F251-A283 HydrophobicContact CB-CB 4.22Å; F251-M286 HydrophobicContact CB-SD 3.84Å; F251-M286 HydrophobicContact CD2-SD 4.39Å
252	I	97.3	Very high	94.5	Very high	35 Å²	35	41.1 Å²	41.1	18%	0.179	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-43.2	176.7	-62.8	175.5	0	0	0	109.5	D250 D256 A283 M286 I287 I290 W353	D250-I252 VanDerWaalsContact C-N 3.31Å; D250-I252 PolarHBondContact O-N 3.34Å; D250-I252 WeakPolarHBondContact OD1-CA 3.46Å; D250-I252 WeakPolarHBondContact OD1-CB 3.49Å; D250-I252 PolarHBondContact OD1-N 3.07Å; I252-D256 WeakPolarHBondContact O-CB 3.34Å; I252-D256 PolarHBondContact O-N 3.19Å; I252-A283 HydrophobicContact CG1-CB 4.29Å; I252-M286 HydrophobicContact CD1-CB 4.18Å; I252-M286 HydrophobicContact CD1-CE 4.37Å; I252-M286 HydrophobicContact CG1-CB 4.36Å; I252-M286 HydrophobicContact CG1-CE 4.47Å; I252-M286 HydrophobicContact CG1-SD 4.31Å; I252-I287 HydrophobicContact CD1-CD1 4.45Å; I252-I290 HydrophobicContact CD1-CD1 4.3Å; I252-W353 HydrophobicContact CG1-CH2 4.43Å; I252-W353 HydrophobicContact CG1-CZ3 4.25Å; I252-W353 HydrophobicContact CG2-CH2 3.9Å; I252-W353 HydrophobicContact CG2-CZ3 4.46Å
253	L	96.5	Very high	94.7	Very high	26 Å²	26	40.4 Å²	40.4	14%	0.136	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-50.4	174.8	-172.5	160.5	0	0	0	111.5	K68 I70 V249 D250 R255 D256 D257	K68-L253 HydrophobicContact CB-CD1 3.98Å; K68-L253 HydrophobicContact CB-CG 4.03Å; K68-L253 HydrophobicContact CD-CD1 3.86Å; I70-L253 HydrophobicContact CG1-CD2 4.13Å; V249-L253 HydrophobicContact CG1-CD2 4.26Å; D250-L253 PolarHBondContact O-N 3.36Å; D250-L253 PolarHBondContact OD1-N 3.1Å; L253-R255 PolarHBondContact O-N 3.2Å; L253-D256 PolarHBondContact O-N 2.89Å; L253-D256 VanDerWaalsContact O-N 3.16Å; L253-D257 PolarHBondContact O-N 3.14Å; L253-D257 VanDerWaalsContact O-N 3.11Å
254	I	97.4	Very high	94.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.6	-44	179.1	-66.3	167.9	0	0	0	109.9	I70 L234 I237 L241 V249 D250 M258 L272 V279	I70-I254 HydrophobicContact CD1-CB 4.49Å; I70-I254 HydrophobicContact CD1-CG1 4.44Å; I70-I254 HydrophobicContact CD1-CG2 4.11Å; I70-I254 HydrophobicContact CG1-CG1 4.46Å; L234-I254 HydrophobicContact CD1-CD1 4.27Å; I237-I254 HydrophobicContact CD1-CD1 4.31Å; I237-I254 HydrophobicContact CD1-CG2 4.26Å; I237-I254 HydrophobicContact CG2-CD1 4.01Å; L241-I254 HydrophobicContact CD1-CD1 4.49Å; V249-I254 HydrophobicContact CG1-CD1 3.76Å; V249-I254 HydrophobicContact CG1-CG1 3.52Å; D250-I254 VanDerWaalsContact O-CG1 3.31Å; D250-I254 WeakPolarHBondContact O-CG1 3.37Å; D250-I254 PolarHBondContact O-N 3.16Å; I254-M258 WeakPolarHBondContact O-CB 3.31Å; I254-M258 PolarHBondContact O-N 2.85Å; I254-L272 HydrophobicContact CG2-CD2 3.99Å; I254-V279 HydrophobicContact CB-CG1 4.43Å; I254-V279 HydrophobicContact CG2-CG1 3.92Å; I254-V279 HydrophobicContact CG2-CG2 3.86Å
255	R	97.9	Very high	95.2	Very high	13 Å²	13	42.2 Å²	42.2	5%	0.049	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-46.2	176.7	-177	-175.3	178.7	-61.8	-25.1	111.9	F251 L253 D257 M258 V259 V279 E280 A283 W353	F251-R255 WeakPolarHBondContact O-CB 3.12Å; F251-R255 PolarHBondContact O-N 3.14Å; L253-R255 PolarHBondContact O-N 3.2Å; R255-D257 PolarHBondContact O-N 2.77Å; R255-M258 PolarHBondContact O-N 2.81Å; R255-V259 HydrophobicContact CG-CG2 3.91Å; R255-V259 WeakPolarHBondContact O-CB 3.19Å; R255-V259 VanDerWaalsContact O-CG2 3.31Å; R255-V259 WeakPolarHBondContact O-CG2 3.37Å; R255-V259 PolarHBondContact O-N 2.97Å; R255-V279 HydrophobicContact CB-CG1 3.68Å; R255-V279 HydrophobicContact CG-CG1 4.34Å; R255-E280 IonicContact CZ-OE1 3.18Å; R255-E280 IonicContact CZ-OE2 2.71Å; R255-E280 IonicContact NE-OE1 2.84Å; R255-E280 PolarHBondContact NE-OE1 3.38Å; R255-E280 IonicContact NE-OE2 2.83Å; R255-E280 PolarHBondContact NE-OE2 3.16Å; R255-E280 IonicContact NH2-OE1 2.74Å; R255-E280 PolarHBondContact NH2-OE1 3.29Å; R255-E280 IonicContact NH2-OE2 3.71Å; R255-E280 PolarHBondContact NH2-OE2 2.99Å; R255-A283 HydrophobicContact CB-CB 4.02Å; R255-A283 VanDerWaalsContact CD-CB 3.42Å; R255-A283 HydrophobicContact CG-CB 4.33Å; R255-W353 VanDerWaalsContact NH2-CB 3.35Å
256	D	97.9	Very high	95.7	Very high	17 Å²	17	39.6 Å²	39.6	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-47.2	-178.7	-173.7	53.2	0	0	0	111.7	R64 L67 I252 L253 A260	R64-D256 IonicContact CZ-OD1 3.59Å; R64-D256 IonicContact NH1-OD1 2.78Å; R64-D256 PolarHBondContact NH1-OD1 2.82Å; R64-D256 IonicContact NH1-OD2 2.72Å; R64-D256 IonicContact NH2-OD1 3.89Å; R64-D256 PolarHBondContact NH2-OD1 2.88Å; L67-D256 WeakPolarHBondContact CB-OD2 3.45Å; L67-D256 PolarHBondContact N-OD2 3.25Å; I252-D256 WeakPolarHBondContact O-CB 3.34Å; I252-D256 PolarHBondContact O-N 3.19Å; L253-D256 PolarHBondContact O-N 2.89Å; L253-D256 VanDerWaalsContact O-N 3.16Å; D256-A260 WeakPolarHBondContact O-CB 3.37Å; D256-A260 PolarHBondContact O-N 2.84Å; D256-A260 VanDerWaalsContact O-N 3.1Å
257	D	97.1	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.4	-45.3	177.1	-168.7	35.6	0	0	0	112.1	I70 L253 R255 A260 R261	I70-D257 HydrophobicContact CD1-CB 4.34Å; I70-D257 HydrophobicContact CG1-CB 3.95Å; I70-D257 WeakPolarHBondContact CG1-OD2 3.32Å; I70-D257 PolarHBondContact N-OD2 3.35Å; L253-D257 PolarHBondContact O-N 3.14Å; L253-D257 VanDerWaalsContact O-N 3.11Å; R255-D257 PolarHBondContact O-N 2.77Å; D257-A260 PolarHBondContact O-N 3.42Å; D257-R261 WeakPolarHBondContact O-CD 3.21Å; D257-R261 VanDerWaalsContact O-CG 3.24Å; D257-R261 WeakPolarHBondContact O-CG 3.47Å; D257-R261 PolarHBondContact O-N 3.4Å; D257-R261 IonicContact OD1-CZ 3.06Å; D257-R261 IonicContact OD1-NE 2.67Å; D257-R261 PolarHBondContact OD1-NE 3.37Å; D257-R261 IonicContact OD1-NH2 3.81Å; D257-R261 IonicContact OD2-CZ 3.74Å; D257-R261 VanDerWaalsContact OD2-CZ 3.24Å; D257-R261 IonicContact OD2-NE 3.67Å; D257-R261 PolarHBondContact OD2-NE 2.99Å; D257-R261 IonicContact OD2-NH2 3.16Å; D257-R261 PolarHBondContact OD2-NH2 3.44Å
258	M	97.5	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.3	-55.9	179.3	-177	-178	76.2	0	0	111.6	I254 R255 A260 R261 E262 L272 R276 V279 E280	I254-M258 WeakPolarHBondContact O-CB 3.31Å; I254-M258 PolarHBondContact O-N 2.85Å; R255-M258 PolarHBondContact O-N 2.81Å; M258-A260 VanDerWaalsContact C-N 3.31Å; M258-A260 PolarHBondContact O-N 3.32Å; M258-R261 PolarHBondContact O-N 3.2Å; M258-E262 HydrophobicContact CG-CG 4.49Å; M258-E262 WeakPolarHBondContact CG-OE1 3.43Å; M258-E262 WeakPolarHBondContact O-CB 3.14Å; M258-E262 WeakPolarHBondContact O-CG 3.09Å; M258-E262 PolarHBondContact O-N 2.76Å; M258-L272 HydrophobicContact CB-CD1 4.02Å; M258-L272 HydrophobicContact CG-CB 4.44Å; M258-L272 HydrophobicContact CG-CD1 3.92Å; M258-L272 HydrophobicContact SD-CB 4.09Å; M258-L272 HydrophobicContact SD-CD1 4.29Å; M258-L272 HydrophobicContact SD-CD2 4.47Å; M258-R276 HydrophobicContact CE-CG 4.44Å; M258-V279 HydrophobicContact CE-CB 3.98Å; M258-V279 HydrophobicContact CE-CG1 3.65Å; M258-V279 HydrophobicContact SD-CB 4.3Å; M258-V279 HydrophobicContact SD-CG1 4.16Å; M258-E280 HydrophobicContact CE-CG 4.45Å
259	V	97.9	Very high	96.7	Very high	17 Å²	17	22.5 Å²	22.5	10%	0.103	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-38.7	-177.2	173.1	0	0	0	0	110.7	R255 T263 E280 Y356	R255-V259 HydrophobicContact CG-CG2 3.91Å; R255-V259 WeakPolarHBondContact O-CB 3.19Å; R255-V259 VanDerWaalsContact O-CG2 3.31Å; R255-V259 WeakPolarHBondContact O-CG2 3.37Å; R255-V259 PolarHBondContact O-N 2.97Å; V259-T263 VanDerWaalsContact O-CB 3.31Å; V259-T263 WeakPolarHBondContact O-CB 3.37Å; V259-T263 PolarHBondContact O-N 3.21Å; V259-T263 PolarHBondContact O-OG1 2.78Å; V259-E280 VanDerWaalsContact CG2-OE1 3.22Å; V259-E280 WeakPolarHBondContact CG2-OE1 3.03Å; V259-Y356 HydrophobicContact CG1-CE2 3.91Å
260	A	98.3	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.9	-54.6	174.5	0	0	0	0	0	110.1	P66 W78 D256 D257 M258 E262 T263 H264	P66-A260 HydrophobicContact CB-CB 4.11Å; P66-A260 HydrophobicContact CG-CB 4.49Å; W78-A260 HydrophobicContact CH2-CB 3.72Å; W78-A260 HydrophobicContact CZ2-CB 3.85Å; D256-A260 WeakPolarHBondContact O-CB 3.37Å; D256-A260 PolarHBondContact O-N 2.84Å; D256-A260 VanDerWaalsContact O-N 3.1Å; D257-A260 PolarHBondContact O-N 3.42Å; M258-A260 VanDerWaalsContact C-N 3.31Å; M258-A260 PolarHBondContact O-N 3.32Å; A260-E262 PolarHBondContact O-N 3.11Å; A260-T263 PolarHBondContact O-N 3.25Å; A260-H264 PolarHBondContact O-N 3.29Å; A260-H264 PolarHBondContact O-ND1 3.28Å
261	R	97.4	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.5	-46.9	-178.1	-69.4	165.4	-176.8	-135.1	14.9	112.8	M74 A76 W78 D257 M258 T263 H264 G265 L266 P267 C268	M74-R261 PolarHBondContact O-NH1 3.2Å; M74-R261 PolarHBondContact O-NH2 2.9Å; A76-R261 HydrophobicContact CB-CG 3.93Å; W78-R261 HydrophobicContact CZ2-CG 3.93Å; D257-R261 WeakPolarHBondContact O-CD 3.21Å; D257-R261 VanDerWaalsContact O-CG 3.24Å; D257-R261 WeakPolarHBondContact O-CG 3.47Å; D257-R261 PolarHBondContact O-N 3.4Å; D257-R261 IonicContact OD1-CZ 3.06Å; D257-R261 IonicContact OD1-NE 2.67Å; D257-R261 PolarHBondContact OD1-NE 3.37Å; D257-R261 IonicContact OD1-NH2 3.81Å; D257-R261 IonicContact OD2-CZ 3.74Å; D257-R261 VanDerWaalsContact OD2-CZ 3.24Å; D257-R261 IonicContact OD2-NE 3.67Å; D257-R261 PolarHBondContact OD2-NE 2.99Å; D257-R261 IonicContact OD2-NH2 3.16Å; D257-R261 PolarHBondContact OD2-NH2 3.44Å; M258-R261 PolarHBondContact O-N 3.2Å; R261-T263 VanDerWaalsContact C-N 3.34Å; R261-T263 PolarHBondContact O-N 3.13Å; R261-H264 CarbonylContact O-C 3.58Å; R261-H264 PolarHBondContact O-N 3Å; R261-G265 PolarHBondContact O-N 3.22Å; R261-G265 VanDerWaalsContact O-N 3.08Å; R261-L266 HydrophobicContact CB-CB 4.13Å; R261-L266 HydrophobicContact CG-CB 4.41Å; R261-L266 PolarHBondContact O-N 3.12Å; R261-P267 PolarHBondContact NH1-O 2.96Å; R261-P267 VanDerWaalsContact NH1-O 3.07Å; R261-C268 WeakPolarHBondContact CB-SG 3.45Å
262	E	97.3	Very high	96.7	Very high	51 Å²	51	27.5 Å²	27.5	24%	0.238	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-42.2	-178.5	-70.2	171.8	164.5	0	0	112.4	M258 A260 H264 G265 R276	M258-E262 HydrophobicContact CG-CG 4.49Å; M258-E262 WeakPolarHBondContact CG-OE1 3.43Å; M258-E262 WeakPolarHBondContact O-CB 3.14Å; M258-E262 WeakPolarHBondContact O-CG 3.09Å; M258-E262 PolarHBondContact O-N 2.76Å; A260-E262 PolarHBondContact O-N 3.11Å; E262-H264 PolarHBondContact O-N 3.06Å; E262-H264 VanDerWaalsContact O-N 3.15Å; E262-G265 PolarHBondContact O-N 3.46Å; E262-G265 VanDerWaalsContact O-N 3.09Å; E262-R276 IonicContact OE1-CZ 2.85Å; E262-R276 IonicContact OE1-NH1 3.5Å; E262-R276 PolarHBondContact OE1-NH1 2.98Å; E262-R276 IonicContact OE1-NH2 3.97Å; E262-R276 PolarHBondContact OE1-NH2 3.46Å; E262-R276 IonicContact OE2-CZ 3.63Å; E262-R276 IonicContact OE2-NH1 2.67Å; E262-R276 PolarHBondContact OE2-NH1 3.25Å; E262-R276 IonicContact OE2-NH2 2.85Å
263	T	98	Very high	96.6	Very high	46 Å²	46	30.8 Å²	30.8	28%	0.282	19%	0.19	S	C	.	.	H	α-helix	trans	-62	-24.1	178.2	-55.9	0	0	0	0	112.1	A63 V129 V259 A260 R261 Y356	A63-T263 HydrophobicContact CB-CG2 3.56Å; V129-T263 HydrophobicContact CG1-CG2 3.96Å; V259-T263 VanDerWaalsContact O-CB 3.31Å; V259-T263 WeakPolarHBondContact O-CB 3.37Å; V259-T263 PolarHBondContact O-N 3.21Å; V259-T263 PolarHBondContact O-OG1 2.78Å; A260-T263 PolarHBondContact O-N 3.25Å; R261-T263 VanDerWaalsContact C-N 3.34Å; R261-T263 PolarHBondContact O-N 3.13Å; T263-Y356 HydrophobicContact CG2-CD2 4.38Å
264	H	98.3	Very high	96.6	Very high	27 Å²	27	34.2 Å²	34.2	13%	0.125	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	6	-179.8	-60	85	0	0	0	113.1	R64 W78 T127 A260 R261 E262 L266	R64-H264 PolarHBondContact O-CE1 2.93Å; W78-H264 HydrophobicContact CH2-CB 4.47Å; W78-H264 AromaticContact CH2-ND1 3.56Å; W78-H264 HydrophobicContact CZ3-CB 4.33Å; W78-H264 AromaticContact CZ3-CE1 3.87Å; W78-H264 AromaticContact CZ3-CG 3.79Å; W78-H264 AromaticContact CZ3-ND1 3.59Å; T127-H264 VanDerWaalsContact CB-NE2 3.29Å; T127-H264 WeakPolarHBondContact CB-NE2 3.41Å; T127-H264 WeakPolarHBondContact CG2-NE2 3.47Å; T127-H264 PolarHBondContact OG1-NE2 2.82Å; A260-H264 PolarHBondContact O-N 3.29Å; A260-H264 PolarHBondContact O-ND1 3.28Å; R261-H264 CarbonylContact O-C 3.58Å; R261-H264 PolarHBondContact O-N 3Å; E262-H264 PolarHBondContact O-N 3.06Å; E262-H264 VanDerWaalsContact O-N 3.15Å; H264-L266 HydrophobicContact CB-CD1 4.08Å; H264-L266 HydrophobicContact CB-CG 3.9Å; H264-L266 PolarHBondContact O-N 2.73Å
265	G	96.8	Very high	96.6	Very high	61 Å²	61	36.3 Å²	36.3	63%	0.629	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	23.8	-176.2	0	0	0	0	0	113.8	R261 E262	R261-G265 PolarHBondContact O-N 3.22Å; R261-G265 VanDerWaalsContact O-N 3.08Å; E262-G265 PolarHBondContact O-N 3.46Å; E262-G265 VanDerWaalsContact O-N 3.09Å
266	L	96.6	Very high	96.5	Very high	33 Å²	33	39.8 Å²	39.8	17%	0.173	24%	0.238	C	C	.	.			trans	-82.2	154.2	178.8	-63.9	176.9	0	0	0	110.9	A76 W78 L82 R261 H264 C268	A76-L266 HydrophobicContact CB-CB 4.31Å; A76-L266 HydrophobicContact CB-CD1 4.23Å; W78-L266 HydrophobicContact CD2-CD1 3.89Å; W78-L266 HydrophobicContact CE3-CD1 3.78Å; W78-L266 HydrophobicContact CH2-CD1 3.73Å; W78-L266 HydrophobicContact CZ2-CD1 3.78Å; W78-L266 HydrophobicContact CZ3-CD1 3.73Å; L82-L266 HydrophobicContact CD1-CD1 4.33Å; R261-L266 HydrophobicContact CB-CB 4.13Å; R261-L266 HydrophobicContact CG-CB 4.41Å; R261-L266 PolarHBondContact O-N 3.12Å; H264-L266 HydrophobicContact CB-CD1 4.08Å; H264-L266 HydrophobicContact CB-CG 3.9Å; H264-L266 PolarHBondContact O-N 2.73Å; L266-C268 PolarHBondContact O-N 3.42Å
267	P	94.9	Very high	96.5	Very high	83 Å²	83	45.1 Å²	45.1	54%	0.539	27%	0.266	S	S	.	.			trans	-57	128	178.7	-25.9	34.9	0	0	0	113.2	M74 R261	M74-P267 HydrophobicContact SD-CB 4.23Å; R261-P267 PolarHBondContact NH1-O 2.96Å; R261-P267 VanDerWaalsContact NH1-O 3.07Å
268	C	94.4	Very high	96.6	Very high	25 Å²	25	46.6 Å²	46.6	17%	0.169	28%	0.275	C	S	.	.			trans	-109	147.5	170.7	-74	0	0	0	0	110.4	R261 L266 P270	R261-C268 WeakPolarHBondContact CB-SG 3.45Å; L266-C268 PolarHBondContact O-N 3.42Å; C268-P270 WeakPolarHBondContact O-CD 3.42Å
269	P	93.9	Very high	96.6	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.039	28%	0.275	C	S	.	.			trans	-53.9	123.7	167.4	-25.2	33.7	0	0	0	110.4	I73 M74 L241 V271 L272	I73-P269 HydrophobicContact CG2-CB 4.28Å; I73-P269 HydrophobicContact CG2-CG 3.69Å; M74-P269 HydrophobicContact CB-CG 4.3Å; L241-P269 HydrophobicContact CD2-CB 3.85Å; L241-P269 HydrophobicContact CD2-CG 4.33Å; P269-V271 PolarHBondContact O-N 3.1Å; P269-L272 HydrophobicContact CB-CD1 4.46Å; P269-L272 HydrophobicContact CB-CG 4.29Å; P269-L272 HydrophobicContact CG-CD1 4.23Å; P269-L272 WeakPolarHBondContact O-CB 3.43Å; P269-L272 PolarHBondContact O-N 3.43Å
270	P	94.4	Very high	96.7	Very high	90 Å²	90	48.3 Å²	48.3	58%	0.584	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26	-175.1	-28.6	35	0	0	0	114.2	C268 L272 D273	C268-P270 WeakPolarHBondContact O-CD 3.42Å; P270-L272 PolarHBondContact O-N 3.45Å; P270-D273 WeakPolarHBondContact O-CB 3.41Å; P270-D273 PolarHBondContact O-N 3Å; P270-D273 VanDerWaalsContact O-N 3.11Å
271	V	95.1	Very high	96.7	Very high	47 Å²	47	53.9 Å²	53.9	29%	0.285	30%	0.303	S	S	.	.	H	α-helix	trans	-54.3	-38.2	173	172.2	0	0	0	0	111.1	A240 L241 P269 D273 S274 W275	A240-V271 HydrophobicContact CB-CG1 3.58Å; L241-V271 HydrophobicContact CD2-CB 4.14Å; L241-V271 HydrophobicContact CD2-CG1 4.19Å; L241-V271 HydrophobicContact CG-CG1 4.4Å; P269-V271 PolarHBondContact O-N 3.1Å; V271-D273 PolarHBondContact O-N 3.45Å; V271-S274 PolarHBondContact O-N 2.91Å; V271-S274 PolarHBondContact O-OG 2.9Å; V271-W275 VanDerWaalsContact O-CD1 3.31Å; V271-W275 PolarHBondContact O-N 2.96Å
272	L	95.5	Very high	96.7	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-22	-179.3	-64.2	-177.3	0	0	0	113.5	I70 I237 L241 I254 M258 P269 P270 S274 W275 R276	I70-L272 HydrophobicContact CD1-CD1 4.21Å; I237-L272 HydrophobicContact CD1-CD2 4.12Å; L241-L272 HydrophobicContact CD1-CD2 4.16Å; L241-L272 HydrophobicContact CD2-CD2 4.02Å; L241-L272 HydrophobicContact CD2-CG 4.18Å; I254-L272 HydrophobicContact CG2-CD2 3.99Å; M258-L272 HydrophobicContact CB-CD1 4.02Å; M258-L272 HydrophobicContact CG-CB 4.44Å; M258-L272 HydrophobicContact CG-CD1 3.92Å; M258-L272 HydrophobicContact SD-CB 4.09Å; M258-L272 HydrophobicContact SD-CD1 4.29Å; M258-L272 HydrophobicContact SD-CD2 4.47Å; P269-L272 HydrophobicContact CB-CD1 4.46Å; P269-L272 HydrophobicContact CB-CG 4.29Å; P269-L272 HydrophobicContact CG-CD1 4.23Å; P269-L272 WeakPolarHBondContact O-CB 3.43Å; P269-L272 PolarHBondContact O-N 3.43Å; P270-L272 PolarHBondContact O-N 3.45Å; L272-S274 VanDerWaalsContact C-N 3.32Å; L272-S274 PolarHBondContact O-N 3.31Å; L272-W275 CarbonylContact O-C 3.19Å; L272-W275 PolarHBondContact O-N 2.72Å; L272-W275 VanDerWaalsContact O-N 3.13Å; L272-R276 WeakPolarHBondContact O-CA 3.49Å; L272-R276 PolarHBondContact O-N 3.39Å
273	D	94.7	Very high	96.8	Very high	103 Å²	103	52.2 Å²	52.2	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-61.1	-43.5	177	-68	-35.5	0	0	0	111.6	P270 V271 R276	P270-D273 WeakPolarHBondContact O-CB 3.41Å; P270-D273 PolarHBondContact O-N 3Å; P270-D273 VanDerWaalsContact O-N 3.11Å; V271-D273 PolarHBondContact O-N 3.45Å; D273-R276 IonicContact OD1-NH2 2.77Å
274	S	96.5	Very high	96.8	Very high	98 Å²	98	50.2 Å²	50.2	69%	0.685	28%	0.282	S	S	*	.	H	α-helix	trans	-74.9	-25.2	175.5	65.1	0	0	0	0	113.6	V271 L272	V271-S274 PolarHBondContact O-N 2.91Å; V271-S274 PolarHBondContact O-OG 2.9Å; L272-S274 VanDerWaalsContact C-N 3.32Å; L272-S274 PolarHBondContact O-N 3.31Å
275	W	97.6	Very high	96.7	Very high	45 Å²	45	51.5 Å²	51.5	17%	0.17	29%	0.288	C	S	.	.	H	α-helix	trans	-96.2	-11.1	-175.8	-81.8	89	0	0	0	114.2	D233 I237 V271 L272 N277 T278 V279	D233-W275 HydrophobicContact CB-CZ3 4.12Å; I237-W275 HydrophobicContact CB-CD2 3.94Å; I237-W275 HydrophobicContact CB-CE3 3.84Å; I237-W275 HydrophobicContact CB-CH2 4.2Å; I237-W275 HydrophobicContact CB-CZ2 4.26Å; I237-W275 HydrophobicContact CB-CZ3 3.97Å; I237-W275 HydrophobicContact CD1-CB 3.82Å; I237-W275 HydrophobicContact CD1-CD2 3.84Å; I237-W275 HydrophobicContact CD1-CE3 3.81Å; I237-W275 HydrophobicContact CD1-CG 3.85Å; I237-W275 HydrophobicContact CG1-CB 4.39Å; I237-W275 HydrophobicContact CG1-CD2 3.74Å; I237-W275 HydrophobicContact CG1-CE3 3.98Å; I237-W275 HydrophobicContact CG1-CG 3.92Å; V271-W275 VanDerWaalsContact O-CD1 3.31Å; V271-W275 PolarHBondContact O-N 2.96Å; L272-W275 CarbonylContact O-C 3.19Å; L272-W275 PolarHBondContact O-N 2.72Å; L272-W275 VanDerWaalsContact O-N 3.13Å; W275-N277 PolarHBondContact O-N 3.37Å; W275-T278 HydrophobicContact CE3-CG2 3.76Å; W275-T278 HydrophobicContact CZ3-CG2 3.68Å; W275-T278 CarbonylContact O-C 3.56Å; W275-T278 WeakPolarHBondContact O-CA 3.44Å; W275-T278 WeakPolarHBondContact O-CB 3.45Å; W275-T278 PolarHBondContact O-N 2.92Å; W275-V279 HydrophobicContact CB-CG2 4.23Å; W275-V279 WeakPolarHBondContact O-CG2 3.45Å; W275-V279 PolarHBondContact O-N 3.22Å
276	R	97	Very high	96.8	Very high	86 Å²	86	48.6 Å²	48.6	33%	0.325	26%	0.259	S	S	.	.	H	α-helix	trans	-41.9	-57.1	-175.3	176.8	-170.2	-62.7	-70.8	-13	113.5	M258 E262 L272 D273 T278 V279 E280	M258-R276 HydrophobicContact CE-CG 4.44Å; E262-R276 IonicContact OE1-CZ 2.85Å; E262-R276 IonicContact OE1-NH1 3.5Å; E262-R276 PolarHBondContact OE1-NH1 2.98Å; E262-R276 IonicContact OE1-NH2 3.97Å; E262-R276 PolarHBondContact OE1-NH2 3.46Å; E262-R276 IonicContact OE2-CZ 3.63Å; E262-R276 IonicContact OE2-NH1 2.67Å; E262-R276 PolarHBondContact OE2-NH1 3.25Å; E262-R276 IonicContact OE2-NH2 2.85Å; L272-R276 WeakPolarHBondContact O-CA 3.49Å; L272-R276 PolarHBondContact O-N 3.39Å; D273-R276 IonicContact OD1-NH2 2.77Å; R276-T278 VanDerWaalsContact C-N 3.32Å; R276-T278 PolarHBondContact O-N 3.44Å; R276-V279 PolarHBondContact O-N 2.86Å; R276-E280 PolarHBondContact O-N 3.4Å
277	N	97.9	Very high	96.8	Very high	129 Å²	129	47.6 Å²	47.6	69%	0.69	25%	0.253	S	S	*	.	H	α-helix	trans	-65.5	-36.4	-177.2	-68.7	-21.2	0	0	0	112.1	W275 R281	W275-N277 PolarHBondContact O-N 3.37Å; N277-R281 WeakPolarHBondContact O-CB 3.24Å; N277-R281 PolarHBondContact O-N 2.85Å
278	T	98.3	Very high	96.9	Very high	30 Å²	30	48.3 Å²	48.3	18%	0.184	25%	0.246	C	C	.	.	H	α-helix	trans	-69.6	-42.9	176.5	-59.4	0	0	0	0	110.9	D233 W275 R276 R281 R282	D233-T278 HydrophobicContact CB-CG2 4.29Å; D233-T278 WeakPolarHBondContact OD2-CG2 3.39Å; W275-T278 HydrophobicContact CE3-CG2 3.76Å; W275-T278 HydrophobicContact CZ3-CG2 3.68Å; W275-T278 CarbonylContact O-C 3.56Å; W275-T278 WeakPolarHBondContact O-CA 3.44Å; W275-T278 WeakPolarHBondContact O-CB 3.45Å; W275-T278 PolarHBondContact O-N 2.92Å; R276-T278 VanDerWaalsContact C-N 3.32Å; R276-T278 PolarHBondContact O-N 3.44Å; T278-R281 PolarHBondContact O-N 3.1Å; T278-R282 HydrophobicContact CG2-CG 3.9Å; T278-R282 WeakPolarHBondContact O-CB 3.45Å; T278-R282 VanDerWaalsContact O-CG 3.25Å; T278-R282 WeakPolarHBondContact O-CG 3.5Å; T278-R282 PolarHBondContact O-N 3.18Å
279	V	98.4	Very high	96.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.4	-49.6	176.8	169.7	0	0	0	0	111	I237 F251 I254 R255 M258 W275 R276 A283	I237-V279 HydrophobicContact CD1-CG2 3.43Å; I237-V279 VanDerWaalsContact CD1-CG2 3.43Å; F251-V279 HydrophobicContact CD1-CB 4.36Å; F251-V279 HydrophobicContact CD1-CG2 4.09Å; F251-V279 HydrophobicContact CE1-CG2 4.17Å; I254-V279 HydrophobicContact CB-CG1 4.43Å; I254-V279 HydrophobicContact CG2-CG1 3.92Å; I254-V279 HydrophobicContact CG2-CG2 3.86Å; R255-V279 HydrophobicContact CB-CG1 3.68Å; R255-V279 HydrophobicContact CG-CG1 4.34Å; M258-V279 HydrophobicContact CE-CB 3.98Å; M258-V279 HydrophobicContact CE-CG1 3.65Å; M258-V279 HydrophobicContact SD-CB 4.3Å; M258-V279 HydrophobicContact SD-CG1 4.16Å; W275-V279 HydrophobicContact CB-CG2 4.23Å; W275-V279 WeakPolarHBondContact O-CG2 3.45Å; W275-V279 PolarHBondContact O-N 3.22Å; R276-V279 PolarHBondContact O-N 2.86Å; V279-A283 VanDerWaalsContact O-CB 3.27Å; V279-A283 WeakPolarHBondContact O-CB 3.33Å; V279-A283 PolarHBondContact O-N 2.77Å
280	E	98.3	Very high	97	Very high	53 Å²	53	48.6 Å²	48.6	25%	0.248	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-52.4	176	-78.6	-70	164.8	0	0	111.5	R255 M258 V259 R276 R282 A283 V284	R255-E280 IonicContact CZ-OE1 3.18Å; R255-E280 IonicContact CZ-OE2 2.71Å; R255-E280 IonicContact NE-OE1 2.84Å; R255-E280 PolarHBondContact NE-OE1 3.38Å; R255-E280 IonicContact NE-OE2 2.83Å; R255-E280 PolarHBondContact NE-OE2 3.16Å; R255-E280 IonicContact NH2-OE1 2.74Å; R255-E280 PolarHBondContact NH2-OE1 3.29Å; R255-E280 IonicContact NH2-OE2 3.71Å; R255-E280 PolarHBondContact NH2-OE2 2.99Å; M258-E280 HydrophobicContact CE-CG 4.45Å; V259-E280 VanDerWaalsContact CG2-OE1 3.22Å; V259-E280 WeakPolarHBondContact CG2-OE1 3.03Å; R276-E280 PolarHBondContact O-N 3.4Å; E280-R282 PolarHBondContact O-N 3.06Å; E280-A283 PolarHBondContact O-N 2.83Å; E280-V284 WeakPolarHBondContact O-CG2 3.19Å; E280-V284 PolarHBondContact O-N 3.3Å; E280-V284 VanDerWaalsContact O-N 3.12Å
281	R	98.4	Very high	97	Very high	118 Å²	118	44.3 Å²	44.3	45%	0.445	22%	0.216	S	C	.	.	H	α-helix	trans	-59.1	-50.3	-179.9	177.7	177.5	58.8	136.1	0.8	112.1	D233 N277 T278 V284 E285	D233-R281 IonicContact OD2-NH2 3.17Å; N277-R281 WeakPolarHBondContact O-CB 3.24Å; N277-R281 PolarHBondContact O-N 2.85Å; T278-R281 PolarHBondContact O-N 3.1Å; R281-V284 PolarHBondContact O-N 3.07Å; R281-E285 HydrophobicContact CG-CG 4.42Å; R281-E285 WeakPolarHBondContact CG-OE1 3.38Å; R281-E285 WeakPolarHBondContact O-CG 3.45Å; R281-E285 PolarHBondContact O-N 2.67Å
282	R	98.4	Very high	96.9	Very high	16 Å²	16	43.6 Å²	43.6	6%	0.06	21%	0.21	C	C	.	.	H	α-helix	trans	-68	-36.3	-176.6	-66	-45.8	-173.7	177.5	1.5	112.4	D233 F251 T278 E280 V284 E285 M286	D233-R282 HydrophobicContact CB-CG 4.48Å; D233-R282 IonicContact OD2-CZ 3.55Å; D233-R282 IonicContact OD2-NE 2.7Å; D233-R282 PolarHBondContact OD2-NE 2.68Å; D233-R282 IonicContact OD2-NH2 3.34Å; D233-R282 PolarHBondContact OD2-NH2 2.71Å; F251-R282 HydrophobicContact CB-CB 3.95Å; F251-R282 HydrophobicContact CD1-CB 3.89Å; F251-R282 HydrophobicContact CD1-CG 4.49Å; F251-R282 HydrophobicContact CD2-CB 3.36Å; F251-R282 HydrophobicContact CD2-CG 4Å; F251-R282 HydrophobicContact CE1-CB 4.2Å; F251-R282 HydrophobicContact CE1-CG 4.3Å; F251-R282 HydrophobicContact CE2-CB 3.7Å; F251-R282 HydrophobicContact CE2-CG 3.77Å; F251-R282 HydrophobicContact CG-CB 3.46Å; F251-R282 VanDerWaalsContact CG-CB 3.46Å; F251-R282 HydrophobicContact CG-CG 4.34Å; F251-R282 HydrophobicContact CZ-CB 4.11Å; F251-R282 HydrophobicContact CZ-CG 3.95Å; T278-R282 HydrophobicContact CG2-CG 3.9Å; T278-R282 WeakPolarHBondContact O-CB 3.45Å; T278-R282 VanDerWaalsContact O-CG 3.25Å; T278-R282 WeakPolarHBondContact O-CG 3.5Å; T278-R282 PolarHBondContact O-N 3.18Å; E280-R282 PolarHBondContact O-N 3.06Å; R282-V284 VanDerWaalsContact C-N 3.31Å; R282-V284 PolarHBondContact O-N 2.85Å; R282-E285 WeakPolarHBondContact CD-OE2 3.22Å; R282-E285 IonicContact CZ-OE2 3.66Å; R282-E285 IonicContact NE-OE2 3.84Å; R282-E285 IonicContact NH1-OE1 3.15Å; R282-E285 IonicContact NH1-OE2 3.32Å; R282-E285 PolarHBondContact NH1-OE2 2.55Å; R282-E285 PolarHBondContact O-N 3.49Å; R282-M286 WeakPolarHBondContact O-CB 3.22Å; R282-M286 VanDerWaalsContact O-CG 3.26Å; R282-M286 WeakPolarHBondContact O-CG 3.48Å; R282-M286 PolarHBondContact O-N 3.1Å
283	A	98.3	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-40.2	173.6	0	0	0	0	0	111.8	F251 I252 R255 V279 E280 M286 I287 W353	F251-A283 HydrophobicContact CB-CB 4.22Å; I252-A283 HydrophobicContact CG1-CB 4.29Å; R255-A283 HydrophobicContact CB-CB 4.02Å; R255-A283 VanDerWaalsContact CD-CB 3.42Å; R255-A283 HydrophobicContact CG-CB 4.33Å; V279-A283 VanDerWaalsContact O-CB 3.27Å; V279-A283 WeakPolarHBondContact O-CB 3.33Å; V279-A283 PolarHBondContact O-N 2.77Å; E280-A283 PolarHBondContact O-N 2.83Å; A283-M286 PolarHBondContact O-N 2.71Å; A283-I287 PolarHBondContact O-N 3.03Å; A283-I287 VanDerWaalsContact O-N 3.1Å; A283-W353 HydrophobicContact CB-CE3 4.35Å; A283-W353 HydrophobicContact CB-CZ3 4.36Å
284	V	98.1	Very high	96.3	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-41.8	175	176.3	0	0	0	0	111.8	E280 R281 R282 M286 I287 Y288 F349 M351 W353	E280-V284 WeakPolarHBondContact O-CG2 3.19Å; E280-V284 PolarHBondContact O-N 3.3Å; E280-V284 VanDerWaalsContact O-N 3.12Å; R281-V284 PolarHBondContact O-N 3.07Å; R282-V284 VanDerWaalsContact C-N 3.31Å; R282-V284 PolarHBondContact O-N 2.85Å; V284-M286 VanDerWaalsContact C-N 3.31Å; V284-M286 PolarHBondContact O-N 3.06Å; V284-I287 WeakPolarHBondContact O-CG2 3.39Å; V284-I287 PolarHBondContact O-N 3.44Å; V284-Y288 WeakPolarHBondContact O-CB 3.47Å; V284-Y288 PolarHBondContact O-N 3.02Å; V284-F349 HydrophobicContact CG1-CE1 4.04Å; V284-F349 HydrophobicContact CG1-CZ 3.86Å; V284-M351 HydrophobicContact CG1-CE 4.11Å; V284-M351 WeakPolarHBondContact CG1-O 3.48Å; V284-W353 HydrophobicContact CG2-CB 3.93Å; V284-W353 HydrophobicContact CG2-CE3 4.34Å
285	E	97.9	Very high	96.1	Very high	54 Å²	54	45.5 Å²	45.5	25%	0.252	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-39.5	175.6	-72.8	170.5	-178.3	0	0	111.8	I230 R281 R282 H289	I230-E285 HydrophobicContact CD1-CB 4.15Å; R281-E285 HydrophobicContact CG-CG 4.42Å; R281-E285 WeakPolarHBondContact CG-OE1 3.38Å; R281-E285 WeakPolarHBondContact O-CG 3.45Å; R281-E285 PolarHBondContact O-N 2.67Å; R282-E285 WeakPolarHBondContact CD-OE2 3.22Å; R282-E285 IonicContact CZ-OE2 3.66Å; R282-E285 IonicContact NE-OE2 3.84Å; R282-E285 IonicContact NH1-OE1 3.15Å; R282-E285 IonicContact NH1-OE2 3.32Å; R282-E285 PolarHBondContact NH1-OE2 2.55Å; R282-E285 PolarHBondContact O-N 3.49Å; E285-H289 WeakPolarHBondContact O-CB 3.33Å; E285-H289 PolarHBondContact O-N 3.35Å
286	M	97.7	Very high	95.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-51	174.3	-76.1	-178.8	72.8	0	0	111.8	S224 S225 I230 D250 F251 I252 R282 A283 V284 Y288 H289 I290	S224-M286 WeakPolarHBondContact OG-CE 3.35Å; S225-M286 WeakPolarHBondContact OG-CE 3.38Å; I230-M286 HydrophobicContact CD1-CG 3.83Å; I230-M286 HydrophobicContact CG2-CG 4.19Å; I230-M286 HydrophobicContact CG2-SD 4.35Å; D250-M286 HydrophobicContact CB-CE 3.71Å; D250-M286 HydrophobicContact CB-SD 4.2Å; F251-M286 HydrophobicContact CB-SD 3.84Å; F251-M286 HydrophobicContact CD2-SD 4.39Å; I252-M286 HydrophobicContact CD1-CB 4.18Å; I252-M286 HydrophobicContact CD1-CE 4.37Å; I252-M286 HydrophobicContact CG1-CB 4.36Å; I252-M286 HydrophobicContact CG1-CE 4.47Å; I252-M286 HydrophobicContact CG1-SD 4.31Å; R282-M286 WeakPolarHBondContact O-CB 3.22Å; R282-M286 VanDerWaalsContact O-CG 3.26Å; R282-M286 WeakPolarHBondContact O-CG 3.48Å; R282-M286 PolarHBondContact O-N 3.1Å; A283-M286 PolarHBondContact O-N 2.71Å; V284-M286 VanDerWaalsContact C-N 3.31Å; V284-M286 PolarHBondContact O-N 3.06Å; M286-Y288 VanDerWaalsContact C-N 3.35Å; M286-H289 WeakPolarHBondContact O-CB 3.4Å; M286-H289 PolarHBondContact O-N 3.12Å; M286-I290 WeakPolarHBondContact O-CD1 3.35Å; M286-I290 VanDerWaalsContact O-CG1 3.27Å; M286-I290 WeakPolarHBondContact O-CG1 3.25Å; M286-I290 PolarHBondContact O-N 2.91Å
287	I	96.4	Very high	95.6	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.062	23%	0.233	C	C	.	.	H	α-helix	trans	-69.8	-33.8	-178.5	-159.8	67.9	0	0	0	112	I252 A283 V284 H289 I290 Y291 I340 W353	I252-I287 HydrophobicContact CD1-CD1 4.45Å; A283-I287 PolarHBondContact O-N 3.03Å; A283-I287 VanDerWaalsContact O-N 3.1Å; V284-I287 WeakPolarHBondContact O-CG2 3.39Å; V284-I287 PolarHBondContact O-N 3.44Å; I287-H289 VanDerWaalsContact C-N 3.34Å; I287-I290 HydrophobicContact CD1-CB 4.47Å; I287-I290 HydrophobicContact CD1-CD1 4.07Å; I287-I290 PolarHBondContact O-N 3.16Å; I287-Y291 HydrophobicContact CD1-CD2 4.41Å; I287-Y291 HydrophobicContact CD1-CE2 3.8Å; I287-Y291 HydrophobicContact CG1-CD2 3.81Å; I287-Y291 HydrophobicContact CG1-CE2 3.39Å; I287-Y291 WeakPolarHBondContact O-CD2 3.36Å; I287-Y291 PolarHBondContact O-N 3.37Å; I287-I340 HydrophobicContact CG1-CD1 4.22Å; I287-I340 HydrophobicContact CG2-CD1 3.95Å; I287-I340 HydrophobicContact CG2-CG2 4.4Å; I287-W353 HydrophobicContact CB-CZ3 4.1Å; I287-W353 HydrophobicContact CG2-CE3 4.3Å; I287-W353 HydrophobicContact CG2-CZ3 3.96Å
288	Y	96.8	Very high	95.3	Very high	98 Å²	98	42.8 Å²	42.8	38%	0.384	20%	0.201	S	C	.	.	H	α-helix	trans	-60.9	-44.7	170.8	-174.5	-81.9	0	0	0	111.2	V284 M286 Y291 E292 P293 M344 F349 M351	V284-Y288 WeakPolarHBondContact O-CB 3.47Å; V284-Y288 PolarHBondContact O-N 3.02Å; M286-Y288 VanDerWaalsContact C-N 3.35Å; Y288-Y291 PolarHBondContact O-N 2.92Å; Y288-E292 PolarHBondContact O-N 3.33Å; Y288-P293 HydrophobicContact CD1-CG 4.41Å; Y288-P293 HydrophobicContact CD2-CG 4.13Å; Y288-P293 HydrophobicContact CE1-CG 3.81Å; Y288-P293 HydrophobicContact CE2-CG 3.5Å; Y288-P293 VanDerWaalsContact CE2-CG 3.5Å; Y288-P293 WeakPolarHBondContact O-CD 3.49Å; Y288-P293 WeakPolarHBondContact OH-CG 3.16Å; Y288-M344 HydrophobicContact CD2-CE 3.62Å; Y288-M344 HydrophobicContact CE2-CE 4.36Å; Y288-M344 HydrophobicContact CG-CE 4.21Å; Y288-F349 HydrophobicContact CD2-CD1 4.25Å; Y288-F349 HydrophobicContact CD2-CE1 4.11Å; Y288-M351 HydrophobicContact CD2-CE 3.84Å; Y288-M351 HydrophobicContact CD2-SD 3.33Å; Y288-M351 WeakPolarHBondContact CD2-SD 3.04Å; Y288-M351 HydrophobicContact CE2-CE 4.38Å; Y288-M351 HydrophobicContact CE2-SD 3.6Å; Y288-M351 VanDerWaalsContact CE2-SD 3.6Å; Y288-M351 HydrophobicContact CG-CE 4.06Å; Y288-M351 HydrophobicContact CG-SD 4.16Å
289	H	95.9	Very high	95.1	Very high	33 Å²	33	41.3 Å²	41.3	15%	0.153	19%	0.192	C	C	.	.	H	α-helix	trans	-59.3	-49.2	173	174.9	85.9	0	0	0	110.4	R220 L227 E285 M286 I287 Y291 E292	R220-H289 PolarHBondContact NE-O 3.44Å; R220-H289 PolarHBondContact NH2-O 3.08Å; L227-H289 HydrophobicContact CD1-CB 3.99Å; E285-H289 WeakPolarHBondContact O-CB 3.33Å; E285-H289 PolarHBondContact O-N 3.35Å; M286-H289 WeakPolarHBondContact O-CB 3.4Å; M286-H289 PolarHBondContact O-N 3.12Å; I287-H289 VanDerWaalsContact C-N 3.34Å; H289-Y291 PolarHBondContact O-N 3.3Å; H289-E292 PolarHBondContact O-N 3.03Å
290	I	95	Very high	95	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-45.1	-179	-68	153.4	0	0	0	111.9	R220 W221 I252 M286 I287 N298	R220-I290 WeakPolarHBondContact CD-O 3.42Å; R220-I290 PolarHBondContact NE-O 2.94Å; W221-I290 VanDerWaalsContact CD1-CD1 3.42Å; W221-I290 HydrophobicContact CG-CD1 4.46Å; I252-I290 HydrophobicContact CD1-CD1 4.3Å; M286-I290 WeakPolarHBondContact O-CD1 3.35Å; M286-I290 VanDerWaalsContact O-CG1 3.27Å; M286-I290 WeakPolarHBondContact O-CG1 3.25Å; M286-I290 PolarHBondContact O-N 2.91Å; I287-I290 HydrophobicContact CD1-CB 4.47Å; I287-I290 HydrophobicContact CD1-CD1 4.07Å; I287-I290 PolarHBondContact O-N 3.16Å; I290-N298 PolarHBondContact O-ND2 3Å
291	Y	94.9	Very high	94.9	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-78.1	-17.2	-179.7	-68.4	-42.8	0	0	0	114.8	P205 I287 Y288 H289 N298 T337 I340 P341 M344	P205-Y291 HydrophobicContact CB-CE1 4.36Å; P205-Y291 HydrophobicContact CG-CE1 3.85Å; I287-Y291 HydrophobicContact CD1-CD2 4.41Å; I287-Y291 HydrophobicContact CD1-CE2 3.8Å; I287-Y291 HydrophobicContact CG1-CD2 3.81Å; I287-Y291 HydrophobicContact CG1-CE2 3.39Å; I287-Y291 WeakPolarHBondContact O-CD2 3.36Å; I287-Y291 PolarHBondContact O-N 3.37Å; Y288-Y291 PolarHBondContact O-N 2.92Å; H289-Y291 PolarHBondContact O-N 3.3Å; Y291-N298 PolarHBondContact O-ND2 3.44Å; Y291-T337 WeakPolarHBondContact OH-CA 3.29Å; Y291-T337 VanDerWaalsContact OH-CB 3.3Å; Y291-T337 WeakPolarHBondContact OH-CB 3.43Å; Y291-T337 PolarHBondContact OH-O 2.85Å; Y291-T337 VanDerWaalsContact OH-O 3.06Å; Y291-I340 HydrophobicContact CD2-CB 4.49Å; Y291-I340 HydrophobicContact CD2-CG2 3.7Å; Y291-I340 HydrophobicContact CE2-CB 4.08Å; Y291-I340 HydrophobicContact CE2-CG2 3.75Å; Y291-P341 HydrophobicContact CD2-CB 4.36Å; Y291-P341 HydrophobicContact CD2-CG 4.46Å; Y291-P341 HydrophobicContact CE1-CG 4.39Å; Y291-P341 HydrophobicContact CE2-CB 4.48Å; Y291-P341 HydrophobicContact CE2-CG 4.09Å; Y291-P341 HydrophobicContact CG-CB 4.43Å; Y291-M344 HydrophobicContact CD2-CE 4.26Å; Y291-M344 HydrophobicContact CD2-SD 4.24Å; Y291-M344 HydrophobicContact CG-SD 4.49Å
292	E	92.7	Very high	94.9	Very high	31 Å²	31	34.7 Å²	34.7	15%	0.145	17%	0.167	C	C	.	.			trans	42.4	64.1	174.6	-161.5	172.4	-143.2	0	0	113.6	R220 Y288 H289 S294 K295	R220-E292 VanDerWaalsContact CZ-CB 3.42Å; R220-E292 IonicContact CZ-OE1 2.78Å; R220-E292 IonicContact CZ-OE2 2.8Å; R220-E292 VanDerWaalsContact CZ-OE2 3.32Å; R220-E292 IonicContact NE-OE2 3.39Å; R220-E292 IonicContact NH1-OE1 3.6Å; R220-E292 PolarHBondContact NH1-OE1 3.32Å; R220-E292 IonicContact NH1-OE2 2.75Å; R220-E292 PolarHBondContact NH1-OE2 3.01Å; R220-E292 VanDerWaalsContact NH2-CB 3.3Å; R220-E292 VanDerWaalsContact NH2-CD 3.27Å; R220-E292 IonicContact NH2-OE1 3Å; R220-E292 PolarHBondContact NH2-OE1 2.89Å; R220-E292 IonicContact NH2-OE2 3.9Å; Y288-E292 PolarHBondContact O-N 3.33Å; H289-E292 PolarHBondContact O-N 3.03Å; E292-S294 PolarHBondContact O-N 2.79Å; E292-K295 VanDerWaalsContact CD-CD 3.49Å; E292-K295 VanDerWaalsContact CD-CG 3.46Å; E292-K295 HydrophobicContact CG-CB 4.04Å; E292-K295 HydrophobicContact CG-CD 4.45Å; E292-K295 HydrophobicContact CG-CG 3.92Å; E292-K295 PolarHBondContact O-N 3.24Å; E292-K295 WeakPolarHBondContact OE1-CE 3.41Å; E292-K295 IonicContact OE1-NZ 3.8Å; E292-K295 PolarHBondContact OE1-NZ 3.21Å; E292-K295 WeakPolarHBondContact OE2-CD 3.31Å; E292-K295 WeakPolarHBondContact OE2-CE 3.33Å; E292-K295 WeakPolarHBondContact OE2-CG 3.43Å; E292-K295 IonicContact OE2-NZ 3.33Å; E292-K295 PolarHBondContact OE2-NZ 3.26Å
293	P	89.1	Confident	94.8	Very high	24 Å²	24	34 Å²	34	16%	0.156	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17	-173.8	24.2	-34.4	0	0	0	113.9	Y288 K295 L299 M344	Y288-P293 HydrophobicContact CD1-CG 4.41Å; Y288-P293 HydrophobicContact CD2-CG 4.13Å; Y288-P293 HydrophobicContact CE1-CG 3.81Å; Y288-P293 HydrophobicContact CE2-CG 3.5Å; Y288-P293 VanDerWaalsContact CE2-CG 3.5Å; Y288-P293 WeakPolarHBondContact O-CD 3.49Å; Y288-P293 WeakPolarHBondContact OH-CG 3.16Å; P293-K295 VanDerWaalsContact C-N 3.27Å; P293-K295 PolarHBondContact O-N 2.73Å; P293-L299 HydrophobicContact CB-CD1 3.83Å; P293-L299 HydrophobicContact CB-CG 4.45Å; P293-M344 HydrophobicContact CB-CB 4.33Å; P293-M344 HydrophobicContact CB-CG 4.43Å; P293-M344 HydrophobicContact CB-SD 4.16Å; P293-M344 HydrophobicContact CG-SD 4.24Å
294	S	89.6	Confident	94.8	Very high	106 Å²	106	34 Å²	34	74%	0.741	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.2	170.6	58.6	0	0	0	0	113.8	E292	E292-S294 PolarHBondContact O-N 2.79Å
295	K	90.8	Very high	94.8	Very high	112 Å²	112	34 Å²	34	49%	0.487	16%	0.164	S	C	.	.	S	Bend	trans	-100.4	97.4	172	-69.8	-159.9	-159.7	134.5	0	110.3	E292 P293 E297 N298	E292-K295 VanDerWaalsContact CD-CD 3.49Å; E292-K295 VanDerWaalsContact CD-CG 3.46Å; E292-K295 HydrophobicContact CG-CB 4.04Å; E292-K295 HydrophobicContact CG-CD 4.45Å; E292-K295 HydrophobicContact CG-CG 3.92Å; E292-K295 PolarHBondContact O-N 3.24Å; E292-K295 WeakPolarHBondContact OE1-CE 3.41Å; E292-K295 IonicContact OE1-NZ 3.8Å; E292-K295 PolarHBondContact OE1-NZ 3.21Å; E292-K295 WeakPolarHBondContact OE2-CD 3.31Å; E292-K295 WeakPolarHBondContact OE2-CE 3.33Å; E292-K295 WeakPolarHBondContact OE2-CG 3.43Å; E292-K295 IonicContact OE2-NZ 3.33Å; E292-K295 PolarHBondContact OE2-NZ 3.26Å; P293-K295 VanDerWaalsContact C-N 3.27Å; P293-K295 PolarHBondContact O-N 2.73Å; K295-E297 VanDerWaalsContact C-N 3.25Å; K295-E297 PolarHBondContact O-N 3.3Å; K295-E297 VanDerWaalsContact O-N 3.15Å; K295-N298 HydrophobicContact CB-CB 4.49Å; K295-N298 WeakPolarHBondContact O-CB 3.26Å; K295-N298 PolarHBondContact O-N 2.73Å
296	R	91.4	Very high	94.8	Very high	107 Å²	107	31.4 Å²	31.4	40%	0.404	15%	0.152	S	C	.	.	H	α-helix	trans	-46.4	-44.4	178.4	176.7	-178.9	160.3	158.7	3.1	114	N298 L299 Q300 N405 Y406	R296-N298 PolarHBondContact O-N 2.89Å; R296-L299 PolarHBondContact O-N 2.98Å; R296-Q300 HydrophobicContact CG-CG 4.17Å; R296-Q300 WeakPolarHBondContact O-CG 3.49Å; R296-Q300 PolarHBondContact O-N 3.22Å; R296-N405 WeakPolarHBondContact CD-O 3.19Å; R296-N405 VanDerWaalsContact CG-O 3.31Å; R296-N405 WeakPolarHBondContact CG-O 3.43Å; R296-N405 VanDerWaalsContact CZ-OD1 3.31Å; R296-N405 PolarHBondContact NE-O 3.4Å; R296-N405 PolarHBondContact NH1-OD1 3.33Å; R296-N405 PolarHBondContact NH2-O 2.86Å; R296-N405 PolarHBondContact NH2-OD1 2.9Å; R296-Y406 HydrophobicContact CG-CD1 4.31Å; R296-Y406 HydrophobicContact CG-CE1 4.16Å
297	E	92.6	Very high	94.8	Very high	92 Å²	92	31.6 Å²	31.6	43%	0.43	15%	0.153	S	C	.	.	H	α-helix	trans	-57.9	-36.8	-179.2	-174.9	177	-122.5	0	0	112.2	K295 Q300 L301	K295-E297 VanDerWaalsContact C-N 3.25Å; K295-E297 PolarHBondContact O-N 3.3Å; K295-E297 VanDerWaalsContact O-N 3.15Å; E297-Q300 WeakPolarHBondContact O-CB 3.31Å; E297-Q300 PolarHBondContact O-N 2.84Å; E297-L301 HydrophobicContact CG-CD1 4.26Å; E297-L301 VanDerWaalsContact O-CG 3.3Å; E297-L301 WeakPolarHBondContact O-CG 3.42Å; E297-L301 PolarHBondContact O-N 3.03Å
298	N	92.8	Very high	94.9	Very high	4 Å²	4	34 Å²	34	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-68	-43.5	-179.6	-160.2	39.3	0	0	0	111.4	I290 Y291 K295 R296 L301 C302	I290-N298 PolarHBondContact O-ND2 3Å; Y291-N298 PolarHBondContact O-ND2 3.44Å; K295-N298 HydrophobicContact CB-CB 4.49Å; K295-N298 WeakPolarHBondContact O-CB 3.26Å; K295-N298 PolarHBondContact O-N 2.73Å; R296-N298 PolarHBondContact O-N 2.89Å; N298-L301 PolarHBondContact O-N 2.86Å; N298-C302 WeakPolarHBondContact O-CB 3.45Å; N298-C302 PolarHBondContact O-N 3.32Å; N298-C302 PolarHBondContact O-SG 2.53Å
299	L	94.8	Very high	95	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-37.8	174	-71	-176.2	0	0	0	112.3	P293 R296 L301 C302 V303 P341 M344 Y406	P293-L299 HydrophobicContact CB-CD1 3.83Å; P293-L299 HydrophobicContact CB-CG 4.45Å; R296-L299 PolarHBondContact O-N 2.98Å; L299-L301 VanDerWaalsContact C-N 3.33Å; L299-L301 PolarHBondContact O-N 2.83Å; L299-C302 PolarHBondContact O-N 3.28Å; L299-C302 VanDerWaalsContact O-N 3.16Å; L299-V303 WeakPolarHBondContact O-CG2 3.4Å; L299-V303 PolarHBondContact O-N 2.74Å; L299-P341 HydrophobicContact CD2-CB 3.97Å; L299-M344 HydrophobicContact CD1-CB 4.11Å; L299-M344 HydrophobicContact CD2-CB 4.17Å; L299-M344 HydrophobicContact CD2-SD 4.12Å; L299-Y406 HydrophobicContact CB-CD1 3.86Å; L299-Y406 HydrophobicContact CB-CE1 4.19Å; L299-Y406 HydrophobicContact CD1-CD1 4.17Å; L299-Y406 HydrophobicContact CD1-CE1 3.79Å
300	Q	95.9	Very high	95.1	Very high	28 Å²	28	29.5 Å²	29.5	13%	0.131	15%	0.148	C	C	.	.	H	α-helix	trans	-57.3	-46.4	173.2	-78.4	-179	-53.8	0	0	111.1	R296 E297 C302 G304 N405 L408	R296-Q300 HydrophobicContact CG-CG 4.17Å; R296-Q300 WeakPolarHBondContact O-CG 3.49Å; R296-Q300 PolarHBondContact O-N 3.22Å; E297-Q300 WeakPolarHBondContact O-CB 3.31Å; E297-Q300 PolarHBondContact O-N 2.84Å; Q300-C302 VanDerWaalsContact C-N 3.33Å; Q300-C302 PolarHBondContact O-N 2.81Å; Q300-G304 WeakPolarHBondContact O-CA 3.33Å; Q300-G304 PolarHBondContact O-N 2.87Å; Q300-N405 WeakPolarHBondContact CG-O 3.41Å; Q300-N405 PolarHBondContact NE2-O 3.46Å; Q300-N405 VanDerWaalsContact NE2-O 3.14Å; Q300-L408 HydrophobicContact CB-CD1 3.75Å; Q300-L408 HydrophobicContact CB-CD2 4.18Å; Q300-L408 HydrophobicContact CB-CG 3.82Å; Q300-L408 HydrophobicContact CG-CD2 4.28Å; Q300-L408 HydrophobicContact CG-CG 4.27Å; Q300-L408 WeakPolarHBondContact O-CD1 3.36Å
301	L	96.2	Very high	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-69.1	-29.7	176.1	-66	172.6	0	0	0	113	L212 L213 L216 E297 N298 L299 Y413 L416	L212-L301 HydrophobicContact CB-CD1 4.46Å; L212-L301 HydrophobicContact CD2-CD1 3.84Å; L212-L301 HydrophobicContact CG-CD1 3.9Å; L213-L301 HydrophobicContact CB-CB 4.18Å; L213-L301 HydrophobicContact CB-CD1 4.36Å; L213-L301 HydrophobicContact CD1-CB 4.01Å; L213-L301 HydrophobicContact CD2-CB 4.46Å; L213-L301 HydrophobicContact CG-CB 4.42Å; L216-L301 HydrophobicContact CD1-CD1 4.06Å; E297-L301 HydrophobicContact CG-CD1 4.26Å; E297-L301 VanDerWaalsContact O-CG 3.3Å; E297-L301 WeakPolarHBondContact O-CG 3.42Å; E297-L301 PolarHBondContact O-N 3.03Å; N298-L301 PolarHBondContact O-N 2.86Å; L299-L301 VanDerWaalsContact C-N 3.33Å; L299-L301 PolarHBondContact O-N 2.83Å; L301-Y413 HydrophobicContact CD2-CD2 4.15Å; L301-Y413 HydrophobicContact CD2-CE2 4.23Å; L301-Y413 WeakPolarHBondContact O-CE2 3.12Å; L301-L416 HydrophobicContact CD2-CB 3.89Å; L301-L416 HydrophobicContact CD2-CD1 4.31Å
302	C	96.7	Very high	95.3	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.027	16%	0.158	C	C	.	.	H	α-helix	trans	-73.7	-44.6	179.8	-72.7	0	0	0	0	113.4	P205 N298 L299 Q300 P341	P205-C302 HydrophobicContact CB-CB 4.07Å; P205-C302 HydrophobicContact CG-CB 3.88Å; N298-C302 WeakPolarHBondContact O-CB 3.45Å; N298-C302 PolarHBondContact O-N 3.32Å; N298-C302 PolarHBondContact O-SG 2.53Å; L299-C302 PolarHBondContact O-N 3.28Å; L299-C302 VanDerWaalsContact O-N 3.16Å; Q300-C302 VanDerWaalsContact C-N 3.33Å; Q300-C302 PolarHBondContact O-N 2.81Å; C302-P341 HydrophobicContact CB-CB 4.05Å; C302-P341 HydrophobicContact CB-CG 4.37Å
303	V	97.1	Very high	95.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-137	-0.3	-169.2	-67.4	0	0	0	0	114.6	L299 L306 L307 P341 A345	L299-V303 WeakPolarHBondContact O-CG2 3.4Å; L299-V303 PolarHBondContact O-N 2.74Å; V303-L306 PolarHBondContact O-N 3.38Å; V303-L306 VanDerWaalsContact O-N 3.16Å; V303-L307 HydrophobicContact CG2-CD1 4.01Å; V303-L307 HydrophobicContact CG2-CG 4.42Å; V303-L307 WeakPolarHBondContact O-CG 3.4Å; V303-L307 PolarHBondContact O-N 2.96Å; V303-P341 HydrophobicContact CG1-CB 3.7Å; V303-P341 HydrophobicContact CG1-CG 3.53Å; V303-P341 HydrophobicContact CG2-CB 4.33Å; V303-A345 HydrophobicContact CG2-CB 4.18Å
304	G	97.9	Very high	95.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.5	-46.3	-176.4	0	0	0	0	0	114.7	Q300 L306 L307 H308 Y406 L408	Q300-G304 WeakPolarHBondContact O-CA 3.33Å; Q300-G304 PolarHBondContact O-N 2.87Å; G304-L306 VanDerWaalsContact C-N 3.33Å; G304-L306 PolarHBondContact O-N 3.38Å; G304-L307 PolarHBondContact O-N 2.93Å; G304-H308 WeakPolarHBondContact O-CB 3.45Å; G304-H308 PolarHBondContact O-N 3.41Å; G304-Y406 WeakPolarHBondContact CA-O 3.38Å; G304-L408 PolarHBondContact O-N 2.82Å; G304-L408 VanDerWaalsContact O-N 3.08Å
305	P	98.3	Very high	96.1	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-61	-38.9	174.9	-26.8	36.5	0	0	0	113.4	I202 H308 V309 L408 F410 Y413	I202-P305 HydrophobicContact CB-CB 4.12Å; I202-P305 HydrophobicContact CG2-CB 3.71Å; P305-H308 WeakPolarHBondContact O-CB 3.15Å; P305-H308 PolarHBondContact O-N 3.49Å; P305-V309 WeakPolarHBondContact O-CG2 3.11Å; P305-V309 PolarHBondContact O-N 2.89Å; P305-L408 WeakPolarHBondContact CA-O 3.24Å; P305-F410 HydrophobicContact CB-CD1 4.4Å; P305-F410 HydrophobicContact CB-CE1 4.19Å; P305-Y413 HydrophobicContact CG-CD1 3.89Å; P305-Y413 HydrophobicContact CG-CD2 3.48Å; P305-Y413 VanDerWaalsContact CG-CD2 3.48Å; P305-Y413 HydrophobicContact CG-CE1 4.29Å; P305-Y413 HydrophobicContact CG-CE2 3.93Å; P305-Y413 HydrophobicContact CG-CG 3.44Å; P305-Y413 VanDerWaalsContact CG-CG 3.44Å
306	L	98.4	Very high	96.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.7	-46.8	176.1	176.1	55.3	0	0	0	111.4	L58 L203 V303 G304 H308 V309 L310 T338	L58-L306 HydrophobicContact CD1-CD2 4.17Å; L58-L306 HydrophobicContact CD2-CD2 3.95Å; L203-L306 HydrophobicContact CD2-CD1 3.69Å; L203-L306 HydrophobicContact CD2-CD2 4.24Å; V303-L306 PolarHBondContact O-N 3.38Å; V303-L306 VanDerWaalsContact O-N 3.16Å; G304-L306 VanDerWaalsContact C-N 3.33Å; G304-L306 PolarHBondContact O-N 3.38Å; L306-H308 PolarHBondContact O-N 2.82Å; L306-V309 PolarHBondContact O-N 3.24Å; L306-L310 HydrophobicContact CD1-CD1 4.45Å; L306-L310 HydrophobicContact CD1-CG 4.22Å; L306-L310 HydrophobicContact CG-CD1 4.36Å; L306-L310 WeakPolarHBondContact O-CG 3.45Å; L306-L310 PolarHBondContact O-N 3.45Å; L306-T338 HydrophobicContact CD2-CG2 3.59Å
307	L	98.1	Very high	96.5	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-59.9	-37.9	176	-67.6	175.9	0	0	0	111.5	V303 G304 L310 M311 A345 L403	V303-L307 HydrophobicContact CG2-CD1 4.01Å; V303-L307 HydrophobicContact CG2-CG 4.42Å; V303-L307 WeakPolarHBondContact O-CG 3.4Å; V303-L307 PolarHBondContact O-N 2.96Å; G304-L307 PolarHBondContact O-N 2.93Å; L307-L310 PolarHBondContact O-N 2.85Å; L307-M311 WeakPolarHBondContact O-CB 3.34Å; L307-M311 VanDerWaalsContact O-CG 3.32Å; L307-M311 WeakPolarHBondContact O-CG 3.48Å; L307-M311 PolarHBondContact O-N 2.99Å; L307-A345 HydrophobicContact CD1-CB 3.9Å; L307-L403 HydrophobicContact CD1-CD2 4.46Å; L307-L403 HydrophobicContact CD2-CD1 4.46Å; L307-L403 HydrophobicContact CD2-CD2 4.42Å
308	H	98	Very high	96.5	Very high	63 Å²	63	20.5 Å²	20.5	29%	0.292	11%	0.107	S	C	.	.	H	α-helix	trans	-62	-45.6	175.2	-178.4	62.1	0	0	0	112	G304 P305 L306 M311 G312 S407 L408	G304-H308 WeakPolarHBondContact O-CB 3.45Å; G304-H308 PolarHBondContact O-N 3.41Å; P305-H308 WeakPolarHBondContact O-CB 3.15Å; P305-H308 PolarHBondContact O-N 3.49Å; L306-H308 PolarHBondContact O-N 2.82Å; H308-M311 PolarHBondContact O-N 2.9Å; H308-G312 PolarHBondContact O-N 3.35Å; H308-S407 WeakPolarHBondContact CA-OG 3.3Å; H308-S407 WeakPolarHBondContact CB-OG 3.31Å; H308-L408 WeakPolarHBondContact CB-O 3.25Å
309	V	98	Very high	96.3	Very high	26 Å²	26	26.3 Å²	26.3	16%	0.158	13%	0.134	C	C	.	.	H	α-helix	trans	-61	-45.8	174.6	169.5	0	0	0	0	111.7	I202 P305 L306 M311 G312 N313 F410	I202-V309 HydrophobicContact CD1-CB 4.37Å; I202-V309 HydrophobicContact CD1-CG2 3.69Å; P305-V309 WeakPolarHBondContact O-CG2 3.11Å; P305-V309 PolarHBondContact O-N 2.89Å; L306-V309 PolarHBondContact O-N 3.24Å; V309-M311 VanDerWaalsContact C-N 3.28Å; V309-M311 PolarHBondContact O-N 3.35Å; V309-G312 PolarHBondContact O-N 3.43Å; V309-N313 VanDerWaalsContact O-CG 3.26Å; V309-N313 PolarHBondContact O-N 3.1Å; V309-N313 PolarHBondContact O-ND2 3.25Å; V309-F410 HydrophobicContact CG2-CE2 3.99Å; V309-F410 HydrophobicContact CG2-CZ 3.64Å
310	L	98.1	Very high	95.7	Very high	9 Å²	9	31.9 Å²	31.9	5%	0.047	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-37.8	179.5	-66.2	177.1	0	0	0	112.2	Q56 L306 L307 Y332	Q56-L310 HydrophobicContact CB-CD2 4.21Å; Q56-L310 PolarHBondContact NE2-O 3.01Å; Q56-L310 VanDerWaalsContact OE1-CD2 3.23Å; Q56-L310 PolarHBondContact OE1-O 2.82Å; L306-L310 HydrophobicContact CD1-CD1 4.45Å; L306-L310 HydrophobicContact CD1-CG 4.22Å; L306-L310 HydrophobicContact CG-CD1 4.36Å; L306-L310 WeakPolarHBondContact O-CG 3.45Å; L306-L310 PolarHBondContact O-N 3.45Å; L307-L310 PolarHBondContact O-N 2.85Å; L310-Y332 HydrophobicContact CD2-CD2 4.03Å; L310-Y332 HydrophobicContact CD2-CE2 3.63Å
311	M	97.5	Very high	94.9	Very high	11 Å²	11	34.5 Å²	34.5	5%	0.054	18%	0.182	C	C	.	.	H	α-helix	trans	-73.2	-40.2	175.4	-70.7	-53.4	-50.2	0	0	112.5	L307 H308 V309 N313 I314 E315 L396 F399 K400 L403	L307-M311 WeakPolarHBondContact O-CB 3.34Å; L307-M311 VanDerWaalsContact O-CG 3.32Å; L307-M311 WeakPolarHBondContact O-CG 3.48Å; L307-M311 PolarHBondContact O-N 2.99Å; H308-M311 PolarHBondContact O-N 2.9Å; V309-M311 VanDerWaalsContact C-N 3.28Å; V309-M311 PolarHBondContact O-N 3.35Å; M311-N313 PolarHBondContact O-N 3.48Å; M311-I314 HydrophobicContact CE-CD1 4.49Å; M311-I314 WeakPolarHBondContact O-CB 3.48Å; M311-I314 PolarHBondContact O-N 2.93Å; M311-I314 VanDerWaalsContact O-N 3.14Å; M311-I314 HydrophobicContact SD-CD1 4.23Å; M311-E315 WeakPolarHBondContact O-CG 3.37Å; M311-E315 PolarHBondContact O-N 2.68Å; M311-L396 HydrophobicContact CE-CD1 4.15Å; M311-F399 HydrophobicContact CE-CD1 4.15Å; M311-F399 HydrophobicContact CE-CE1 4.49Å; M311-F399 HydrophobicContact SD-CD1 3.69Å; M311-F399 HydrophobicContact SD-CE1 3.48Å; M311-F399 WeakPolarHBondContact SD-CE1 3.27Å; M311-K400 HydrophobicContact CE-CD 4.48Å; M311-K400 HydrophobicContact CE-CG 3.53Å; M311-L403 HydrophobicContact CG-CD1 4.35Å; M311-L403 HydrophobicContact SD-CD1 3.91Å
312	G	96.3	Very high	93.8	Very high	17 Å²	17	36.4 Å²	36.4	18%	0.175	19%	0.194	C	C	.	.	H	α-helix	trans	-57.6	-46.9	174.9	0	0	0	0	0	111.7	H308 V309 I314 E315 D316	H308-G312 PolarHBondContact O-N 3.35Å; V309-G312 PolarHBondContact O-N 3.43Å; G312-I314 PolarHBondContact O-N 2.86Å; G312-E315 PolarHBondContact O-N 3.14Å; G312-D316 WeakPolarHBondContact O-CB 3.45Å; G312-D316 PolarHBondContact O-N 2.84Å
313	N	97.1	Very high	92.8	Very high	24 Å²	24	41.5 Å²	41.5	13%	0.128	23%	0.229	C	C	.	.	H	α-helix	trans	-56.3	-36.3	175.9	-68.6	-23.3	0	0	0	113.2	L54 Q56 V309 M311 K317 F330 Y332	L54-N313 HydrophobicContact CD2-CB 4.1Å; L54-N313 WeakPolarHBondContact CD2-O 3.21Å; Q56-N313 PolarHBondContact OE1-ND2 3.43Å; V309-N313 VanDerWaalsContact O-CG 3.26Å; V309-N313 PolarHBondContact O-N 3.1Å; V309-N313 PolarHBondContact O-ND2 3.25Å; M311-N313 PolarHBondContact O-N 3.48Å; N313-K317 WeakPolarHBondContact O-CB 3.43Å; N313-K317 PolarHBondContact O-N 3.49Å; N313-F330 HydrophobicContact CB-CE2 4.02Å; N313-F330 HydrophobicContact CB-CZ 4.19Å; N313-Y332 PolarHBondContact ND2-OH 2.85Å
314	I	97	Very high	92	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-69.4	-45.4	176.2	-72	165.1	0	0	0	110.5	L54 M311 G312 K317 L318 L364 V375 L396	L54-I314 HydrophobicContact CD2-CG1 4.41Å; M311-I314 HydrophobicContact CE-CD1 4.49Å; M311-I314 WeakPolarHBondContact O-CB 3.48Å; M311-I314 PolarHBondContact O-N 2.93Å; M311-I314 VanDerWaalsContact O-N 3.14Å; M311-I314 HydrophobicContact SD-CD1 4.23Å; G312-I314 PolarHBondContact O-N 2.86Å; I314-K317 PolarHBondContact O-N 3.47Å; I314-L318 HydrophobicContact CG2-CD1 4.15Å; I314-L318 WeakPolarHBondContact O-CG 3.12Å; I314-L318 PolarHBondContact O-N 2.68Å; I314-L364 HydrophobicContact CG2-CD1 3.82Å; I314-L364 HydrophobicContact CG2-CD2 4.15Å; I314-L364 HydrophobicContact CG2-CG 4.49Å; I314-V375 HydrophobicContact CD1-CG2 4.05Å; I314-L396 HydrophobicContact CG2-CD1 3.74Å; I314-L396 HydrophobicContact CG2-CD2 4.31Å
315	E	95.1	Very high	91.4	Very high	66 Å²	66	48 Å²	48	31%	0.308	27%	0.265	S	S	.	.	H	α-helix	trans	-64.9	-46.5	-179.7	-69.3	179.7	168.3	0	0	111.7	M311 G312 K317 L318 Q319 K400	M311-E315 WeakPolarHBondContact O-CG 3.37Å; M311-E315 PolarHBondContact O-N 2.68Å; G312-E315 PolarHBondContact O-N 3.14Å; E315-K317 VanDerWaalsContact C-N 3.29Å; E315-K317 PolarHBondContact O-N 3.26Å; E315-L318 PolarHBondContact O-N 3.34Å; E315-L318 VanDerWaalsContact O-N 3.08Å; E315-Q319 WeakPolarHBondContact O-CG 3.46Å; E315-Q319 PolarHBondContact O-N 2.95Å; E315-K400 WeakPolarHBondContact OE1-CE 3.17Å; E315-K400 IonicContact OE1-NZ 2.83Å; E315-K400 PolarHBondContact OE1-NZ 2.72Å
316	D	94.6	Very high	91	Very high	66 Å²	66	52.8 Å²	52.8	35%	0.353	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-39.4	178.1	-70.2	-24.4	0	0	0	111.7	G312 L318 Q319 D320 T321	G312-D316 WeakPolarHBondContact O-CB 3.45Å; G312-D316 PolarHBondContact O-N 2.84Å; D316-L318 VanDerWaalsContact C-N 3.3Å; D316-L318 PolarHBondContact O-N 2.89Å; D316-Q319 PolarHBondContact O-N 3.07Å; D316-D320 PolarHBondContact O-N 2.81Å; D316-T321 WeakPolarHBondContact CA-OG1 3.44Å; D316-T321 PolarHBondContact O-N 3.43Å; D316-T321 PolarHBondContact OD1-OG1 3.12Å
317	K	94.9	Very high	90.9	Very high	46 Å²	46	54 Å²	54	20%	0.2	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-31.9	176.9	-170.4	64.9	178.1	-174.5	0	112.7	K53 L54 N313 I314 E315 P325 R327 L364	K53-K317 VanDerWaalsContact O-CE 3.31Å; K53-K317 WeakPolarHBondContact O-CE 3.42Å; L54-K317 HydrophobicContact CB-CG 4.22Å; L54-K317 HydrophobicContact CD2-CB 4.35Å; N313-K317 WeakPolarHBondContact O-CB 3.43Å; N313-K317 PolarHBondContact O-N 3.49Å; I314-K317 PolarHBondContact O-N 3.47Å; E315-K317 VanDerWaalsContact C-N 3.29Å; E315-K317 PolarHBondContact O-N 3.26Å; K317-P325 PolarHBondContact NZ-O 3.5Å; K317-R327 PolarHBondContact NZ-O 3.29Å; K317-L364 HydrophobicContact CB-CD2 4.21Å; K317-L364 HydrophobicContact CG-CD2 4.24Å
318	L	93.1	Very high	90.9	Very high	55 Å²	55	56.5 Å²	56.5	29%	0.288	31%	0.306	S	S	.	.	H	α-helix	trans	-80.6	-33.8	178.9	-71.7	171	0	0	0	112.8	I314 E315 D316 D320 L364 Q366 A373 L396	I314-L318 HydrophobicContact CG2-CD1 4.15Å; I314-L318 WeakPolarHBondContact O-CG 3.12Å; I314-L318 PolarHBondContact O-N 2.68Å; E315-L318 PolarHBondContact O-N 3.34Å; E315-L318 VanDerWaalsContact O-N 3.08Å; D316-L318 VanDerWaalsContact C-N 3.3Å; D316-L318 PolarHBondContact O-N 2.89Å; L318-D320 VanDerWaalsContact C-N 3.34Å; L318-L364 HydrophobicContact CD1-CD1 4.36Å; L318-L364 HydrophobicContact CD2-CD1 4.5Å; L318-L364 HydrophobicContact CD2-CD2 4.09Å; L318-L364 HydrophobicContact CG-CD2 3.99Å; L318-Q366 HydrophobicContact CD2-CG 4.05Å; L318-Q366 VanDerWaalsContact CD2-NE2 3.3Å; L318-A373 HydrophobicContact CD1-CB 3.87Å; L318-A373 HydrophobicContact CD2-CB 4.01Å; L318-L396 HydrophobicContact CD1-CD2 3.33Å
319	Q	89.7	Confident	90.9	Very high	126 Å²	126	53.5 Å²	53.5	59%	0.589	29%	0.292	S	S	*	.	H	α-helix	trans	-85.1	-10.3	-179.4	-64.2	177.5	22.7	0	0	112.9	E315 D316 T321	E315-Q319 WeakPolarHBondContact O-CG 3.46Å; E315-Q319 PolarHBondContact O-N 2.95Å; D316-Q319 PolarHBondContact O-N 3.07Å; Q319-T321 HydrophobicContact CB-CG2 3.64Å; Q319-T321 PolarHBondContact O-N 2.91Å
320	D	82.6	Confident	91	Very high	118 Å²	118	53.3 Å²	53.3	63%	0.631	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	33.9	-174.3	-153.4	22.2	0	0	0	112.2	D316 L318	D316-D320 PolarHBondContact O-N 2.81Å; L318-D320 VanDerWaalsContact C-N 3.34Å
321	T	77.5	Confident	91	Very high	83 Å²	83	52.9 Å²	52.9	51%	0.509	29%	0.287	S	S	.	.			trans	-93.4	-7.8	-177	46.6	0	0	0	0	113	D316 Q319	D316-T321 WeakPolarHBondContact CA-OG1 3.44Å; D316-T321 PolarHBondContact O-N 3.43Å; D316-T321 PolarHBondContact OD1-OG1 3.12Å; Q319-T321 HydrophobicContact CB-CG2 3.64Å; Q319-T321 PolarHBondContact O-N 2.91Å
322	T	74.6	Confident	91.1	Very high	40 Å²	40	52.5 Å²	52.5	25%	0.245	29%	0.285	C	S	.	.			trans	-70.6	139.9	179.5	-179	0	0	0	0	111.4	E324	T322-E324 PolarHBondContact O-N 3.34Å; T322-E324 PolarHBondContact OG1-N 3.47Å; T322-E324 VanDerWaalsContact OG1-N 3.15Å
323	S	75.2	Confident	91.2	Very high	110 Å²	110	51.7 Å²	51.7	77%	0.769	28%	0.276	S	S	*	.	S	Bend	trans	-65.1	-15.3	169.3	51.9	0	0	0	0	112.9	P325	S323-P325 VanDerWaalsContact C-CD 3.47Å; S323-P325 VanDerWaalsContact O-CD 3.28Å; S323-P325 WeakPolarHBondContact O-CD 3.23Å
324	E	80.6	Confident	91.3	Very high	73 Å²	73	50.6 Å²	50.6	34%	0.341	27%	0.27	S	S	.	.			trans	-118.3	71.1	-177.9	-66.9	-66.5	144.2	0	0	110.6	T322 N326 R327	T322-E324 PolarHBondContact O-N 3.34Å; T322-E324 PolarHBondContact OG1-N 3.47Å; T322-E324 VanDerWaalsContact OG1-N 3.15Å; E324-N326 PolarHBondContact O-N 2.98Å; E324-R327 HydrophobicContact CB-CB 4.25Å; E324-R327 WeakPolarHBondContact O-CB 3.49Å; E324-R327 PolarHBondContact O-N 3.2Å
325	P	83.9	Confident	91.3	Very high	65 Å²	65	50.8 Å²	50.8	42%	0.422	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24	-173.9	24.5	-35.1	0	0	0	113.2	K317 S323 R327	K317-P325 PolarHBondContact NZ-O 3.5Å; S323-P325 VanDerWaalsContact C-CD 3.47Å; S323-P325 VanDerWaalsContact O-CD 3.28Å; S323-P325 WeakPolarHBondContact O-CD 3.23Å; P325-R327 VanDerWaalsContact C-N 3.28Å; P325-R327 PolarHBondContact O-N 3.31Å
326	N	90.3	Very high	91.5	Very high	104 Å²	104	48.3 Å²	48.3	56%	0.556	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-8.2	177.6	-67.1	-36.3	0	0	0	113.9	T159 E324 K328	T159-N326 CarbonylContact O-C 3.58Å; E324-N326 PolarHBondContact O-N 2.98Å; N326-K328 PolarHBondContact O-N 3.16Å
327	R	96.3	Very high	91.6	Very high	25 Å²	25	47.2 Å²	47.2	9%	0.094	26%	0.256	C	S	.	.			trans	-60.8	123.1	178.8	-174.2	65.5	62.2	-151.6	4.3	110.4	P158 T159 E160 V161 K317 E324 P325 F330	P158-R327 VanDerWaalsContact O-CZ 3.25Å; P158-R327 PolarHBondContact O-NH1 2.78Å; P158-R327 PolarHBondContact O-NH2 2.95Å; T159-R327 VanDerWaalsContact C-NH1 3.33Å; T159-R327 WeakPolarHBondContact O-CA 3.31Å; T159-R327 PolarHBondContact O-N 3.16Å; T159-R327 PolarHBondContact O-NH1 3.27Å; E160-R327 VanDerWaalsContact C-NH1 3.29Å; V161-R327 VanDerWaalsContact CA-NH1 3.31Å; V161-R327 PolarHBondContact O-NH1 3.01Å; K317-R327 PolarHBondContact NZ-O 3.29Å; E324-R327 HydrophobicContact CB-CB 4.25Å; E324-R327 WeakPolarHBondContact O-CB 3.49Å; E324-R327 PolarHBondContact O-N 3.2Å; P325-R327 VanDerWaalsContact C-N 3.28Å; P325-R327 PolarHBondContact O-N 3.31Å; R327-F330 HydrophobicContact CG-CD2 4.2Å; R327-F330 HydrophobicContact CG-CE1 4.1Å; R327-F330 HydrophobicContact CG-CE2 3.46Å; R327-F330 VanDerWaalsContact CG-CE2 3.46Å; R327-F330 HydrophobicContact CG-CZ 3.41Å; R327-F330 VanDerWaalsContact CG-CZ 3.41Å
328	K	97.9	Very high	91.8	Very high	57 Å²	57	45 Å²	45	25%	0.248	25%	0.246	C	C	.	.			trans	-125.1	-29	-179.5	-75.4	-173.1	-162.2	159	0	113.3	L54 V55 F151 L152 E160 N326	L54-K328 WeakPolarHBondContact CD1-O 3.31Å; V55-K328 PolarHBondContact N-O 3.33Å; F151-K328 HydrophobicContact CD2-CD 4.23Å; F151-K328 HydrophobicContact CE1-CB 3.7Å; F151-K328 HydrophobicContact CE1-CD 4.23Å; F151-K328 HydrophobicContact CE1-CG 4.31Å; F151-K328 HydrophobicContact CE2-CB 4.39Å; F151-K328 HydrophobicContact CE2-CD 3.88Å; F151-K328 HydrophobicContact CE2-CG 4.13Å; F151-K328 HydrophobicContact CZ-CB 3.58Å; F151-K328 HydrophobicContact CZ-CD 3.87Å; F151-K328 HydrophobicContact CZ-CG 3.78Å; F151-K328 WeakPolarHBondContact O-CD 3.4Å; F151-K328 WeakPolarHBondContact O-CE 3.5Å; F151-K328 PolarHBondContact O-NZ 2.74Å; L152-K328 HydrophobicContact CD2-CB 3.68Å; L152-K328 HydrophobicContact CD2-CD 4.23Å; E160-K328 HydrophobicContact CG-CB 4.03Å; E160-K328 HydrophobicContact CG-CD 4.17Å; E160-K328 HydrophobicContact CG-CG 4.29Å; E160-K328 PolarHBondContact O-N 3.11Å; E160-K328 WeakPolarHBondContact OE1-CD 3.4Å; E160-K328 WeakPolarHBondContact OE1-CE 3.15Å; E160-K328 IonicContact OE1-NZ 2.7Å; E160-K328 PolarHBondContact OE1-NZ 2.82Å; N326-K328 PolarHBondContact O-N 3.16Å
329	L	98.8	Very high	92.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.4	-176.9	177.6	64	0	0	0	111	V55 V57 L152 E160 V161 Y162 L182 L331	V55-L329 HydrophobicContact CB-CD1 3.83Å; V55-L329 HydrophobicContact CG1-CD1 3.67Å; V55-L329 CarbonylContact O-C 3.48Å; V55-L329 VanDerWaalsContact O-CA 3.31Å; V55-L329 WeakPolarHBondContact O-CA 3.33Å; V57-L329 HydrophobicContact CG2-CD1 4.03Å; L152-L329 HydrophobicContact CD1-CB 4.32Å; L152-L329 HydrophobicContact CD1-CD2 3.79Å; L152-L329 HydrophobicContact CD2-CB 4.01Å; E160-L329 PolarHBondContact O-N 3.48Å; V161-L329 WeakPolarHBondContact CA-O 3.09Å; V161-L329 HydrophobicContact CG1-CB 4.31Å; V161-L329 HydrophobicContact CG1-CD2 3.88Å; V161-L329 HydrophobicContact CG1-CG 4.13Å; V161-L329 HydrophobicContact CG2-CB 4.15Å; V161-L329 HydrophobicContact CG2-CD2 4.18Å; Y162-L329 PolarHBondContact N-O 3.31Å; L182-L329 HydrophobicContact CD2-CD2 3.55Å; L329-L331 HydrophobicContact CD1-CD2 3.95Å; L329-L331 HydrophobicContact CD1-CG 4.44Å; L329-L331 HydrophobicContact CD2-CD1 4.25Å; L329-L331 HydrophobicContact CD2-CD2 3.99Å; L329-L331 HydrophobicContact CD2-CG 4.01Å; L329-L331 HydrophobicContact CG-CD2 4.05Å; L329-L331 HydrophobicContact CG-CG 4.04Å
330	F	98.9	Very high	92.5	Very high	22 Å²	22	36.4 Å²	36.4	10%	0.096	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.1	165	-65.3	-97.8	0	0	0	109.7	L54 V55 Q56 V57 Y162 N313 R327 Y332	L54-F330 HydrophobicContact CD1-CD2 3.84Å; L54-F330 HydrophobicContact CD1-CE2 3.61Å; L54-F330 HydrophobicContact CD2-CD2 4.38Å; L54-F330 HydrophobicContact CD2-CE2 4.16Å; L54-F330 HydrophobicContact CG-CD2 4.36Å; L54-F330 HydrophobicContact CG-CE2 4.35Å; V55-F330 PolarHBondContact O-N 3.23Å; Q56-F330 CarbonylContact C-O 3.48Å; Q56-F330 WeakPolarHBondContact CA-O 3.29Å; Q56-F330 HydrophobicContact CB-CB 4.39Å; Q56-F330 HydrophobicContact CG-CB 4.23Å; Q56-F330 HydrophobicContact CG-CD2 4.08Å; V57-F330 PolarHBondContact N-O 3.21Å; Y162-F330 AromaticContact CD1-CD1 3.49Å; Y162-F330 HydrophobicContact CD1-CD1 3.49Å; Y162-F330 VanDerWaalsContact CD1-CD1 3.49Å; Y162-F330 HydrophobicContact CD1-CE1 4.18Å; Y162-F330 HydrophobicContact CD1-CG 4.43Å; Y162-F330 HydrophobicContact CE1-CD1 4.23Å; Y162-F330 AromaticContact CG-CD1 3.67Å; Y162-F330 HydrophobicContact CG-CD1 3.67Å; Y162-F330 HydrophobicContact CG-CE1 4.02Å; N313-F330 HydrophobicContact CB-CE2 4.02Å; N313-F330 HydrophobicContact CB-CZ 4.19Å; R327-F330 HydrophobicContact CG-CD2 4.2Å; R327-F330 HydrophobicContact CG-CE1 4.1Å; R327-F330 HydrophobicContact CG-CE2 3.46Å; R327-F330 VanDerWaalsContact CG-CE2 3.46Å; R327-F330 HydrophobicContact CG-CZ 3.41Å; R327-F330 VanDerWaalsContact CG-CZ 3.41Å; F330-Y332 HydrophobicContact CB-CD2 4.3Å; F330-Y332 HydrophobicContact CB-CE2 3.54Å; F330-Y332 WeakPolarHBondContact CD1-OH 3.41Å; F330-Y332 HydrophobicContact CG-CE2 4.34Å
331	L	98.9	Very high	93.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.8	175.1	-66.2	-179.3	0	0	0	109	V57 F59 L141 V161 Y162 V163 R164 L178 V179 L329	V57-L331 HydrophobicContact CB-CD2 3.81Å; V57-L331 HydrophobicContact CG2-CD2 4.06Å; F59-L331 HydrophobicContact CE1-CB 4.1Å; F59-L331 HydrophobicContact CE1-CD2 4.48Å; L141-L331 HydrophobicContact CD1-CD2 4.28Å; V161-L331 HydrophobicContact CG1-CD1 4.12Å; V161-L331 HydrophobicContact CG1-CG 4.4Å; Y162-L331 PolarHBondContact O-N 2.79Å; V163-L331 HydrophobicContact CG1-CB 4.39Å; V163-L331 HydrophobicContact CG2-CD1 4.27Å; R164-L331 PolarHBondContact N-O 2.99Å; L178-L331 HydrophobicContact CD2-CD1 3.64Å; L178-L331 HydrophobicContact CD2-CD2 4.1Å; V179-L331 HydrophobicContact CG2-CD1 3.9Å; L329-L331 HydrophobicContact CD1-CD2 3.95Å; L329-L331 HydrophobicContact CD1-CG 4.44Å; L329-L331 HydrophobicContact CD2-CD1 4.25Å; L329-L331 HydrophobicContact CD2-CD2 3.99Å; L329-L331 HydrophobicContact CD2-CG 4.01Å; L329-L331 HydrophobicContact CG-CD2 4.05Å; L329-L331 HydrophobicContact CG-CG 4.04Å
332	Y	98.9	Very high	94.2	Very high	4 Å²	4	27 Å²	27	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	104.5	178.7	-61.9	-75.2	0	0	0	110	V57 L58 F59 Y162 R164 L203 L310 N313 F330	V57-Y332 PolarHBondContact O-N 3.13Å; L58-Y332 WeakPolarHBondContact CA-O 3.4Å; F59-Y332 VanDerWaalsContact CD1-O 3.32Å; F59-Y332 WeakPolarHBondContact CD1-O 3.25Å; F59-Y332 PolarHBondContact N-O 2.93Å; Y162-Y332 HydrophobicContact CD1-CE1 4.46Å; Y162-Y332 AromaticContact CE1-CE1 3.91Å; Y162-Y332 HydrophobicContact CE1-CE1 3.91Å; R164-Y332 HydrophobicContact CB-CD1 4.02Å; R164-Y332 HydrophobicContact CB-CE1 4.25Å; R164-Y332 HydrophobicContact CG-CD1 4.49Å; R164-Y332 WeakPolarHBondContact O-CA 3.37Å; L203-Y332 HydrophobicContact CD1-CD1 4.42Å; L203-Y332 HydrophobicContact CD2-CD1 3.94Å; L203-Y332 HydrophobicContact CD2-CG 4.27Å; L310-Y332 HydrophobicContact CD2-CD2 4.03Å; L310-Y332 HydrophobicContact CD2-CE2 3.63Å; N313-Y332 PolarHBondContact ND2-OH 2.85Å; F330-Y332 HydrophobicContact CB-CD2 4.3Å; F330-Y332 HydrophobicContact CB-CE2 3.54Å; F330-Y332 WeakPolarHBondContact CD1-OH 3.41Å; F330-Y332 HydrophobicContact CG-CE2 4.34Å
333	S	98.9	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	113	176.7	-168.6	0	0	0	0	110.6	F59 R164 T166 T171	F59-S333 WeakPolarHBondContact CE2-OG 3.47Å; F59-S333 VanDerWaalsContact CZ-CB 3.43Å; R164-S333 PolarHBondContact O-N 3.4Å; T166-S333 PolarHBondContact N-O 3.5Å; T171-S333 WeakPolarHBondContact CA-OG 3.11Å; T171-S333 WeakPolarHBondContact CB-OG 3.3Å; T171-S333 WeakPolarHBondContact O-CB 3.41Å; T171-S333 PolarHBondContact O-OG 2.88Å
334	A	98.7	Very high	96.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	-152.1	-166.5	0	0	0	0	0	111.8	L58 F59 H61 T171 L203 T338	L58-A334 HydrophobicContact CD1-CB 3.6Å; L58-A334 HydrophobicContact CG-CB 4.5Å; F59-A334 PolarHBondContact O-N 3.35Å; H61-A334 PolarHBondContact N-O 2.8Å; T171-A334 WeakPolarHBondContact CG2-O 3.48Å; L203-A334 HydrophobicContact CB-CB 4.35Å; A334-T338 HydrophobicContact CB-CG2 4.04Å
335	H	98.8	Very high	97.3	Very high	7 Å²	7	17.3 Å²	17.3	3%	0.032	9%	0.092	C	C	.	.			trans	-128.5	164.8	-170.2	-56.1	-77.9	0	0	0	112.2	H61 T166 Y204 T337 T338 L339	H61-H335 AromaticContact CD2-ND1 3.88Å; T166-H335 WeakPolarHBondContact CG2-NE2 3.45Å; T166-H335 PolarHBondContact OG1-NE2 2.81Å; Y204-H335 AromaticContact CD1-CD2 3.66Å; Y204-H335 AromaticContact CD1-NE2 3.75Å; H335-T337 VanDerWaalsContact CB-OG1 3.27Å; H335-T337 WeakPolarHBondContact CB-OG1 3.46Å; H335-T337 PolarHBondContact O-N 3.19Å; H335-T338 PolarHBondContact N-OG1 3.3Å; H335-T338 VanDerWaalsContact N-OG1 3.12Å; H335-T338 VanDerWaalsContact O-CB 3.3Å; H335-T338 WeakPolarHBondContact O-CB 3.25Å; H335-T338 PolarHBondContact O-N 3.14Å; H335-T338 PolarHBondContact O-OG1 2.61Å; H335-L339 WeakPolarHBondContact O-CD1 3.44Å; H335-L339 PolarHBondContact O-N 2.93Å
336	D	98.5	Very high	97.9	Very high	13 Å²	13	14.6 Å²	14.6	7%	0.07	7%	0.074	C	C	.	.	H	α-helix	trans	-55.9	-41.9	164	36.3	19	0	0	0	111.4	R60 T338 L339 I340 W353	R60-D336 IonicContact CZ-OD2 3.43Å; R60-D336 IonicContact NE-OD2 2.67Å; R60-D336 PolarHBondContact NE-OD2 3.36Å; R60-D336 VanDerWaalsContact NE-OD2 3.16Å; R60-D336 IonicContact NH2-OD2 3.51Å; R60-D336 PolarHBondContact NH2-OD2 3.34Å; D336-T338 PolarHBondContact O-N 3.43Å; D336-T338 VanDerWaalsContact O-N 3.1Å; D336-L339 PolarHBondContact O-N 3.23Å; D336-I340 WeakPolarHBondContact O-CB 3.27Å; D336-I340 VanDerWaalsContact O-CG1 3.26Å; D336-I340 WeakPolarHBondContact O-CG1 3.26Å; D336-I340 PolarHBondContact O-N 3.14Å; D336-W353 HydrophobicContact CB-CZ2 4.21Å; D336-W353 VanDerWaalsContact CB-NE1 3.3Å; D336-W353 WeakPolarHBondContact OD2-CZ2 3.27Å; D336-W353 PolarHBondContact OD2-NE1 2.94Å
337	T	97	Very high	98.2	Very high	43 Å²	43	11.9 Å²	11.9	26%	0.264	7%	0.071	S	C	.	.	H	α-helix	trans	-61.4	-14.4	174.1	54.3	0	0	0	0	114	P205 Y291 H335 P341	P205-T337 WeakPolarHBondContact CD-O 3.34Å; P205-T337 WeakPolarHBondContact CG-O 3.25Å; Y291-T337 WeakPolarHBondContact OH-CA 3.29Å; Y291-T337 VanDerWaalsContact OH-CB 3.3Å; Y291-T337 WeakPolarHBondContact OH-CB 3.43Å; Y291-T337 PolarHBondContact OH-O 2.85Å; Y291-T337 VanDerWaalsContact OH-O 3.06Å; H335-T337 VanDerWaalsContact CB-OG1 3.27Å; H335-T337 WeakPolarHBondContact CB-OG1 3.46Å; H335-T337 PolarHBondContact O-N 3.19Å; T337-P341 WeakPolarHBondContact O-CD 3.34Å; T337-P341 WeakPolarHBondContact O-CG 3.45Å
338	T	98.5	Very high	98.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-91.4	-50.2	171.9	-34.6	0	0	0	0	110.5	L58 L203 L306 A334 H335 D336 I340 P341 C342	L58-T338 HydrophobicContact CD1-CG2 4.36Å; L58-T338 HydrophobicContact CD2-CG2 4.25Å; L203-T338 WeakPolarHBondContact O-CB 3.44Å; L203-T338 VanDerWaalsContact O-CG2 3.25Å; L203-T338 WeakPolarHBondContact O-CG2 3.38Å; L203-T338 PolarHBondContact O-OG1 3.1Å; L306-T338 HydrophobicContact CD2-CG2 3.59Å; A334-T338 HydrophobicContact CB-CG2 4.04Å; H335-T338 PolarHBondContact N-OG1 3.3Å; H335-T338 VanDerWaalsContact N-OG1 3.12Å; H335-T338 VanDerWaalsContact O-CB 3.3Å; H335-T338 WeakPolarHBondContact O-CB 3.25Å; H335-T338 PolarHBondContact O-N 3.14Å; H335-T338 PolarHBondContact O-OG1 2.61Å; D336-T338 PolarHBondContact O-N 3.43Å; D336-T338 VanDerWaalsContact O-N 3.1Å; T338-I340 PolarHBondContact O-N 3.27Å; T338-P341 VanDerWaalsContact O-CD 3.31Å; T338-P341 WeakPolarHBondContact O-CD 3.18Å; T338-P341 WeakPolarHBondContact O-CG 3.32Å; T338-C342 WeakPolarHBondContact O-CB 3.43Å; T338-C342 PolarHBondContact O-N 3.24Å; T338-C342 VanDerWaalsContact O-N 3.16Å; T338-C342 PolarHBondContact O-SG 3.23Å
339	L	98.8	Very high	98.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.1	-41.9	-176.3	-90.9	63.8	0	0	0	111.9	L58 R60 H335 D336 C342 L343 P354 S358 I360	L58-L339 HydrophobicContact CD2-CD1 4.07Å; L58-L339 HydrophobicContact CG-CD1 3.86Å; R60-L339 HydrophobicContact CB-CD2 4.23Å; H335-L339 WeakPolarHBondContact O-CD1 3.44Å; H335-L339 PolarHBondContact O-N 2.93Å; D336-L339 PolarHBondContact O-N 3.23Å; L339-C342 PolarHBondContact O-N 3.12Å; L339-L343 WeakPolarHBondContact O-CB 3.44Å; L339-L343 WeakPolarHBondContact O-CG 3.42Å; L339-L343 PolarHBondContact O-N 3.04Å; L339-P354 HydrophobicContact CB-CB 4.17Å; L339-P354 HydrophobicContact CB-CG 3.89Å; L339-P354 HydrophobicContact CD2-CB 4.07Å; L339-S358 WeakPolarHBondContact CD2-O 3.48Å; L339-S358 WeakPolarHBondContact CD2-OG 3.35Å; L339-I360 HydrophobicContact CB-CD1 4.44Å; L339-I360 HydrophobicContact CG-CD1 4.04Å; L339-I360 HydrophobicContact CG-CG1 4.19Å
340	I	98.8	Very high	98.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-55.6	-59.8	-179.5	-67.9	166	0	0	0	111.8	I287 Y291 D336 T338 C342 L343 M344 F349 W353 P354	I287-I340 HydrophobicContact CG1-CD1 4.22Å; I287-I340 HydrophobicContact CG2-CD1 3.95Å; I287-I340 HydrophobicContact CG2-CG2 4.4Å; Y291-I340 HydrophobicContact CD2-CB 4.49Å; Y291-I340 HydrophobicContact CD2-CG2 3.7Å; Y291-I340 HydrophobicContact CE2-CB 4.08Å; Y291-I340 HydrophobicContact CE2-CG2 3.75Å; D336-I340 WeakPolarHBondContact O-CB 3.27Å; D336-I340 VanDerWaalsContact O-CG1 3.26Å; D336-I340 WeakPolarHBondContact O-CG1 3.26Å; D336-I340 PolarHBondContact O-N 3.14Å; T338-I340 PolarHBondContact O-N 3.27Å; I340-C342 VanDerWaalsContact C-N 3.3Å; I340-C342 PolarHBondContact O-N 3.47Å; I340-L343 PolarHBondContact O-N 3.29Å; I340-M344 HydrophobicContact CG2-CE 3.45Å; I340-M344 VanDerWaalsContact CG2-CE 3.45Å; I340-M344 HydrophobicContact CG2-SD 4.12Å; I340-M344 WeakPolarHBondContact O-CG 3.31Å; I340-M344 PolarHBondContact O-N 3.11Å; I340-F349 HydrophobicContact CB-CE2 4.37Å; I340-F349 HydrophobicContact CG1-CE2 4.1Å; I340-F349 HydrophobicContact CG1-CZ 4.47Å; I340-F349 HydrophobicContact CG2-CE1 4.49Å; I340-F349 HydrophobicContact CG2-CE2 3.98Å; I340-F349 HydrophobicContact CG2-CZ 3.94Å; I340-W353 HydrophobicContact CD1-CD2 4.26Å; I340-W353 HydrophobicContact CD1-CE3 4.35Å; I340-P354 HydrophobicContact CD1-CG 4.49Å; I340-P354 HydrophobicContact CG1-CG 3.66Å
341	P	98.1	Very high	98.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68	-27.3	179.8	24.8	-32.6	0	0	0	112.9	P205 Y291 L299 C302 V303 T337 T338 M344 A345	P205-P341 HydrophobicContact CG-CG 4.13Å; Y291-P341 HydrophobicContact CD2-CB 4.36Å; Y291-P341 HydrophobicContact CD2-CG 4.46Å; Y291-P341 HydrophobicContact CE1-CG 4.39Å; Y291-P341 HydrophobicContact CE2-CB 4.48Å; Y291-P341 HydrophobicContact CE2-CG 4.09Å; Y291-P341 HydrophobicContact CG-CB 4.43Å; L299-P341 HydrophobicContact CD2-CB 3.97Å; C302-P341 HydrophobicContact CB-CB 4.05Å; C302-P341 HydrophobicContact CB-CG 4.37Å; V303-P341 HydrophobicContact CG1-CB 3.7Å; V303-P341 HydrophobicContact CG1-CG 3.53Å; V303-P341 HydrophobicContact CG2-CB 4.33Å; T337-P341 WeakPolarHBondContact O-CD 3.34Å; T337-P341 WeakPolarHBondContact O-CG 3.45Å; T338-P341 VanDerWaalsContact O-CD 3.31Å; T338-P341 WeakPolarHBondContact O-CD 3.18Å; T338-P341 WeakPolarHBondContact O-CG 3.32Å; P341-M344 PolarHBondContact O-N 3.35Å; P341-A345 WeakPolarHBondContact O-CB 3.35Å; P341-A345 PolarHBondContact O-N 3.01Å
342	C	98.3	Very high	98.1	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.02	13%	0.131	C	C	.	.	H	α-helix	trans	-63.4	-46.4	170.2	-76.3	0	0	0	0	111.9	L58 T338 L339 I340 M344 A345 L346 I360	L58-C342 HydrophobicContact CD2-CB 4.44Å; T338-C342 WeakPolarHBondContact O-CB 3.43Å; T338-C342 PolarHBondContact O-N 3.24Å; T338-C342 VanDerWaalsContact O-N 3.16Å; T338-C342 PolarHBondContact O-SG 3.23Å; L339-C342 PolarHBondContact O-N 3.12Å; I340-C342 VanDerWaalsContact C-N 3.3Å; I340-C342 PolarHBondContact O-N 3.47Å; C342-M344 VanDerWaalsContact C-N 3.3Å; C342-M344 PolarHBondContact O-N 2.98Å; C342-A345 PolarHBondContact O-N 3.12Å; C342-L346 WeakPolarHBondContact O-CB 3.44Å; C342-L346 WeakPolarHBondContact O-CG 3.43Å; C342-L346 PolarHBondContact O-N 3.19Å; C342-I360 HydrophobicContact CB-CD1 3.85Å
343	L	98.7	Very high	98.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-37	176.2	-68.3	166.6	0	0	0	111.3	L339 I340 G347 I348 F349 P354 I360 Y379	L339-L343 WeakPolarHBondContact O-CB 3.44Å; L339-L343 WeakPolarHBondContact O-CG 3.42Å; L339-L343 PolarHBondContact O-N 3.04Å; I340-L343 PolarHBondContact O-N 3.29Å; L343-G347 PolarHBondContact O-N 3.45Å; L343-G347 VanDerWaalsContact O-N 3.1Å; L343-I348 HydrophobicContact CB-CG1 4.48Å; L343-I348 HydrophobicContact CD2-CD1 3.68Å; L343-I348 HydrophobicContact CD2-CG1 3.79Å; L343-I348 PolarHBondContact O-N 2.85Å; L343-F349 HydrophobicContact CB-CB 3.89Å; L343-F349 HydrophobicContact CB-CD2 3.86Å; L343-F349 HydrophobicContact CB-CG 4.34Å; L343-F349 HydrophobicContact CD1-CD2 4.01Å; L343-F349 PolarHBondContact O-N 2.95Å; L343-F349 VanDerWaalsContact O-N 3.16Å; L343-P354 HydrophobicContact CD1-CG 4.33Å; L343-I360 HydrophobicContact CD2-CD1 3.78Å; L343-I360 HydrophobicContact CD2-CG1 4.02Å; L343-I360 HydrophobicContact CG-CD1 3.83Å; L343-I360 HydrophobicContact CG-CG1 4.46Å; L343-Y379 HydrophobicContact CD1-CD2 4.3Å; L343-Y379 HydrophobicContact CD1-CE1 4.18Å; L343-Y379 HydrophobicContact CD1-CE2 3.79Å; L343-Y379 HydrophobicContact CD2-CD1 4.29Å; L343-Y379 HydrophobicContact CD2-CD2 3.84Å; L343-Y379 HydrophobicContact CD2-CE2 4.2Å; L343-Y379 HydrophobicContact CD2-CG 3.91Å
344	M	98.1	Very high	98.1	Very high	15 Å²	15	25.9 Å²	25.9	7%	0.074	13%	0.134	C	C	.	.	H	α-helix	trans	-64.2	-47.1	174.2	-69.7	171.4	177.8	0	0	111.6	Y288 Y291 P293 L299 I340 P341 C342 L346 G347 F349	Y288-M344 HydrophobicContact CD2-CE 3.62Å; Y288-M344 HydrophobicContact CE2-CE 4.36Å; Y288-M344 HydrophobicContact CG-CE 4.21Å; Y291-M344 HydrophobicContact CD2-CE 4.26Å; Y291-M344 HydrophobicContact CD2-SD 4.24Å; Y291-M344 HydrophobicContact CG-SD 4.49Å; P293-M344 HydrophobicContact CB-CB 4.33Å; P293-M344 HydrophobicContact CB-CG 4.43Å; P293-M344 HydrophobicContact CB-SD 4.16Å; P293-M344 HydrophobicContact CG-SD 4.24Å; L299-M344 HydrophobicContact CD1-CB 4.11Å; L299-M344 HydrophobicContact CD2-CB 4.17Å; L299-M344 HydrophobicContact CD2-SD 4.12Å; I340-M344 HydrophobicContact CG2-CE 3.45Å; I340-M344 VanDerWaalsContact CG2-CE 3.45Å; I340-M344 HydrophobicContact CG2-SD 4.12Å; I340-M344 WeakPolarHBondContact O-CG 3.31Å; I340-M344 PolarHBondContact O-N 3.11Å; P341-M344 PolarHBondContact O-N 3.35Å; C342-M344 VanDerWaalsContact C-N 3.3Å; C342-M344 PolarHBondContact O-N 2.98Å; M344-L346 VanDerWaalsContact C-N 3.31Å; M344-L346 PolarHBondContact O-N 2.72Å; M344-G347 PolarHBondContact O-N 2.72Å; M344-F349 HydrophobicContact CE-CD1 3.79Å; M344-F349 HydrophobicContact CE-CE1 3.66Å; M344-F349 HydrophobicContact CE-CG 4.48Å; M344-F349 HydrophobicContact CE-CZ 4.29Å; M344-F349 HydrophobicContact CG-CB 3.94Å; M344-F349 HydrophobicContact CG-CD1 3.98Å; M344-F349 HydrophobicContact CG-CG 3.97Å
345	A	97.3	Very high	98.1	Very high	6 Å²	6	28.9 Å²	28.9	5%	0.05	15%	0.153	C	C	.	.	H	α-helix	trans	-65	-34.4	178.1	0	0	0	0	0	112.6	V303 L307 P341 C342 G347 Y406	V303-A345 HydrophobicContact CG2-CB 4.18Å; L307-A345 HydrophobicContact CD1-CB 3.9Å; P341-A345 WeakPolarHBondContact O-CB 3.35Å; P341-A345 PolarHBondContact O-N 3.01Å; C342-A345 PolarHBondContact O-N 3.12Å; A345-G347 PolarHBondContact O-N 3.17Å; A345-Y406 HydrophobicContact CB-CD1 4.33Å; A345-Y406 HydrophobicContact CB-CD2 3.95Å; A345-Y406 HydrophobicContact CB-CG 3.8Å; A345-Y406 WeakPolarHBondContact O-CD2 3.07Å; A345-Y406 WeakPolarHBondContact O-CE2 3.4Å
346	L	97.1	Very high	98.1	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.042	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-7.4	172.1	-73.8	163.3	0	0	0	113.1	C342 M344 I348 I360 V377 V386 P387 F399 L403	C342-L346 WeakPolarHBondContact O-CB 3.44Å; C342-L346 WeakPolarHBondContact O-CG 3.43Å; C342-L346 PolarHBondContact O-N 3.19Å; M344-L346 VanDerWaalsContact C-N 3.31Å; M344-L346 PolarHBondContact O-N 2.72Å; L346-I348 VanDerWaalsContact C-N 3.27Å; L346-I348 HydrophobicContact CB-CD1 4.08Å; L346-I348 HydrophobicContact CB-CG1 3.71Å; L346-I348 HydrophobicContact CD1-CD1 4.19Å; L346-I348 PolarHBondContact O-N 2.7Å; L346-I360 HydrophobicContact CD1-CG2 4.18Å; L346-V377 HydrophobicContact CD1-CG1 4.41Å; L346-V386 HydrophobicContact CD2-CG2 4.48Å; L346-P387 VanDerWaalsContact O-CD 3.31Å; L346-P387 WeakPolarHBondContact O-CD 3.49Å; L346-F399 HydrophobicContact CD2-CE2 4.04Å; L346-F399 HydrophobicContact CD2-CZ 4.14Å; L346-L403 HydrophobicContact CD2-CD1 4.38Å; L346-L403 HydrophobicContact CD2-CD2 3.81Å; L346-L403 HydrophobicContact CD2-CG 4.47Å; L346-L403 HydrophobicContact CG-CD2 4.34Å
347	G	97.1	Very high	98.1	Very high	47 Å²	47	29.7 Å²	29.7	49%	0.485	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	18.4	-179.1	0	0	0	0	0	114.9	L343 M344 A345 P387	L343-G347 PolarHBondContact O-N 3.45Å; L343-G347 VanDerWaalsContact O-N 3.1Å; M344-G347 PolarHBondContact O-N 2.72Å; A345-G347 PolarHBondContact O-N 3.17Å; G347-P387 WeakPolarHBondContact O-CG 3.12Å
348	I	97.7	Very high	98.2	Very high	19 Å²	19	27.7 Å²	27.7	10%	0.097	15%	0.146	C	C	.	.			trans	-119.6	14.3	-174.5	60.2	167.2	0	0	0	112.9	L343 L346 D350 V377 Q384	L343-I348 HydrophobicContact CB-CG1 4.48Å; L343-I348 HydrophobicContact CD2-CD1 3.68Å; L343-I348 HydrophobicContact CD2-CG1 3.79Å; L343-I348 PolarHBondContact O-N 2.85Å; L346-I348 VanDerWaalsContact C-N 3.27Å; L346-I348 HydrophobicContact CB-CD1 4.08Å; L346-I348 HydrophobicContact CB-CG1 3.71Å; L346-I348 HydrophobicContact CD1-CD1 4.19Å; L346-I348 PolarHBondContact O-N 2.7Å; I348-D350 PolarHBondContact O-N 3.39Å; I348-V377 HydrophobicContact CD1-CG1 4.24Å; I348-Q384 HydrophobicContact CD1-CB 4.15Å; I348-Q384 HydrophobicContact CD1-CG 3.86Å; I348-Q384 HydrophobicContact CG2-CB 4.25Å
349	F	98.3	Very high	98.2	Very high	31 Å²	31	27.8 Å²	27.8	14%	0.136	15%	0.147	C	C	.	.			trans	-66.9	122.8	176.9	-173.2	-123.3	0	0	0	111.1	V284 Y288 I340 L343 M344 M351 R352	V284-F349 HydrophobicContact CG1-CE1 4.04Å; V284-F349 HydrophobicContact CG1-CZ 3.86Å; Y288-F349 HydrophobicContact CD2-CD1 4.25Å; Y288-F349 HydrophobicContact CD2-CE1 4.11Å; I340-F349 HydrophobicContact CB-CE2 4.37Å; I340-F349 HydrophobicContact CG1-CE2 4.1Å; I340-F349 HydrophobicContact CG1-CZ 4.47Å; I340-F349 HydrophobicContact CG2-CE1 4.49Å; I340-F349 HydrophobicContact CG2-CE2 3.98Å; I340-F349 HydrophobicContact CG2-CZ 3.94Å; L343-F349 HydrophobicContact CB-CB 3.89Å; L343-F349 HydrophobicContact CB-CD2 3.86Å; L343-F349 HydrophobicContact CB-CG 4.34Å; L343-F349 HydrophobicContact CD1-CD2 4.01Å; L343-F349 PolarHBondContact O-N 2.95Å; L343-F349 VanDerWaalsContact O-N 3.16Å; M344-F349 HydrophobicContact CE-CD1 3.79Å; M344-F349 HydrophobicContact CE-CE1 3.66Å; M344-F349 HydrophobicContact CE-CG 4.48Å; M344-F349 HydrophobicContact CE-CZ 4.29Å; M344-F349 HydrophobicContact CG-CB 3.94Å; M344-F349 HydrophobicContact CG-CD1 3.98Å; M344-F349 HydrophobicContact CG-CG 3.97Å; F349-M351 VanDerWaalsContact C-N 3.31Å; F349-M351 HydrophobicContact CD1-CG 4.48Å; F349-M351 HydrophobicContact CD1-SD 3.77Å; F349-M351 HydrophobicContact CE1-CG 4.48Å; F349-M351 HydrophobicContact CE1-SD 3.59Å; F349-M351 VanDerWaalsContact CE1-SD 3.59Å; F349-M351 PolarHBondContact O-N 3.23Å; F349-R352 VanDerWaalsContact CE2-O 3.25Å; F349-R352 WeakPolarHBondContact CE2-O 3.34Å
350	D	97.4	Very high	98.2	Very high	70 Å²	70	27.9 Å²	27.9	37%	0.374	15%	0.147	S	C	.	.			trans	-91.4	12	-172.8	68.5	-15.2	0	0	0	113.6	I348 R352	I348-D350 PolarHBondContact O-N 3.39Å; D350-R352 PolarHBondContact O-N 2.84Å; D350-R352 WeakPolarHBondContact OD1-CB 3.43Å; D350-R352 PolarHBondContact OD1-N 3.48Å; D350-R352 WeakPolarHBondContact OD2-CD 3.43Å
351	M	97.8	Very high	98.2	Very high	87 Å²	87	28.1 Å²	28.1	43%	0.429	15%	0.148	S	C	.	.	S	Bend	trans	56	33.3	-173.5	-64.5	-64.2	-66.8	0	0	112.9	V284 Y288 F349	V284-M351 HydrophobicContact CG1-CE 4.11Å; V284-M351 WeakPolarHBondContact CG1-O 3.48Å; Y288-M351 HydrophobicContact CD2-CE 3.84Å; Y288-M351 HydrophobicContact CD2-SD 3.33Å; Y288-M351 WeakPolarHBondContact CD2-SD 3.04Å; Y288-M351 HydrophobicContact CE2-CE 4.38Å; Y288-M351 HydrophobicContact CE2-SD 3.6Å; Y288-M351 VanDerWaalsContact CE2-SD 3.6Å; Y288-M351 HydrophobicContact CG-CE 4.06Å; Y288-M351 HydrophobicContact CG-SD 4.16Å; F349-M351 VanDerWaalsContact C-N 3.31Å; F349-M351 HydrophobicContact CD1-CG 4.48Å; F349-M351 HydrophobicContact CD1-SD 3.77Å; F349-M351 HydrophobicContact CE1-CG 4.48Å; F349-M351 HydrophobicContact CE1-SD 3.59Å; F349-M351 VanDerWaalsContact CE1-SD 3.59Å; F349-M351 PolarHBondContact O-N 3.23Å
352	R	98.3	Very high	98.3	Very high	175 Å²	175	28.5 Å²	28.5	66%	0.66	15%	0.151	S	C	*	.	S	Bend	trans	-122.5	149	170.5	-59.7	179.8	179	162.1	-1.3	110.7	F349 D350	F349-R352 VanDerWaalsContact CE2-O 3.25Å; F349-R352 WeakPolarHBondContact CE2-O 3.34Å; D350-R352 PolarHBondContact O-N 2.84Å; D350-R352 WeakPolarHBondContact OD1-CB 3.43Å; D350-R352 PolarHBondContact OD1-N 3.48Å; D350-R352 WeakPolarHBondContact OD2-CD 3.43Å
353	W	98.6	Very high	98.3	Very high	20 Å²	20	28.6 Å²	28.6	8%	0.076	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-71.7	128.6	174.5	-164.9	-72.9	0	0	0	109.3	I252 R255 A283 V284 I287 D336 I340 P355	I252-W353 HydrophobicContact CG1-CH2 4.43Å; I252-W353 HydrophobicContact CG1-CZ3 4.25Å; I252-W353 HydrophobicContact CG2-CH2 3.9Å; I252-W353 HydrophobicContact CG2-CZ3 4.46Å; R255-W353 VanDerWaalsContact NH2-CB 3.35Å; A283-W353 HydrophobicContact CB-CE3 4.35Å; A283-W353 HydrophobicContact CB-CZ3 4.36Å; V284-W353 HydrophobicContact CG2-CB 3.93Å; V284-W353 HydrophobicContact CG2-CE3 4.34Å; I287-W353 HydrophobicContact CB-CZ3 4.1Å; I287-W353 HydrophobicContact CG2-CE3 4.3Å; I287-W353 HydrophobicContact CG2-CZ3 3.96Å; D336-W353 HydrophobicContact CB-CZ2 4.21Å; D336-W353 VanDerWaalsContact CB-NE1 3.3Å; D336-W353 WeakPolarHBondContact OD2-CZ2 3.27Å; D336-W353 PolarHBondContact OD2-NE1 2.94Å; I340-W353 HydrophobicContact CD1-CD2 4.26Å; I340-W353 HydrophobicContact CD1-CE3 4.35Å; W353-P355 WeakPolarHBondContact O-CD 3.36Å
354	P	98.6	Very high	98.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-58.2	121.4	-179	-26.5	35	0	0	0	111.2	R60 L339 I340 L343 S358 Y379	R60-P354 PolarHBondContact NH1-O 3.03Å; L339-P354 HydrophobicContact CB-CB 4.17Å; L339-P354 HydrophobicContact CB-CG 3.89Å; L339-P354 HydrophobicContact CD2-CB 4.07Å; I340-P354 HydrophobicContact CD1-CG 4.49Å; I340-P354 HydrophobicContact CG1-CG 3.66Å; L343-P354 HydrophobicContact CD1-CG 4.33Å; P354-S358 WeakPolarHBondContact CB-OG 3.33Å; P354-Y379 WeakPolarHBondContact CA-OH 3.48Å
355	P	98.5	Very high	98.3	Very high	63 Å²	63	28.6 Å²	28.6	41%	0.409	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-64.7	166.8	-177.5	25.4	-32.1	0	0	0	111.5	R60 W353 S358 I380	R60-P355 WeakPolarHBondContact CD-O 3.3Å; R60-P355 PolarHBondContact NH1-O 3.49Å; W353-P355 WeakPolarHBondContact O-CD 3.36Å; P355-S358 VanDerWaalsContact O-CB 3.28Å; P355-S358 WeakPolarHBondContact O-CB 3.21Å; P355-S358 PolarHBondContact O-N 3.35Å; P355-S358 PolarHBondContact O-OG 2.92Å; P355-I380 HydrophobicContact CG-CD1 3.74Å
356	Y	98.9	Very high	98.3	Very high	21 Å²	21	30.3 Å²	30.3	8%	0.082	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	144	173.5	-68.7	-56.4	0	0	0	110.3	R60 H61 G62 A63 R64 V259 T263 S358	R60-Y356 VanDerWaalsContact CZ-CD1 3.49Å; R60-Y356 VanDerWaalsContact NH1-N 3.18Å; R60-Y356 VanDerWaalsContact NH2-CE1 3.3Å; H61-Y356 AromaticContact CE1-CE1 3.88Å; G62-Y356 WeakPolarHBondContact O-CD1 3.36Å; A63-Y356 HydrophobicContact CB-CD2 3.82Å; A63-Y356 HydrophobicContact CB-CE2 4.15Å; A63-Y356 HydrophobicContact CB-CG 4.21Å; R64-Y356 HydrophobicContact CG-CE1 3.83Å; V259-Y356 HydrophobicContact CG1-CE2 3.91Å; T263-Y356 HydrophobicContact CG2-CD2 4.38Å; Y356-S358 PolarHBondContact O-N 2.88Å; Y356-S358 VanDerWaalsContact O-N 3.12Å
357	A	98.8	Very high	98.3	Very high	15 Å²	15	31.5 Å²	31.5	12%	0.124	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	16.4	-175.9	0	0	0	0	0	115.7	R60 H61 Q133 L134	R60-A357 WeakPolarHBondContact O-CA 3.15Å; H61-A357 PolarHBondContact O-N 3.24Å; H61-A357 VanDerWaalsContact O-N 3.07Å; Q133-A357 HydrophobicContact CB-CB 3.75Å; L134-A357 HydrophobicContact CD1-CB 4.18Å; L134-A357 HydrophobicContact CD2-CB 3.82Å
358	S	98.8	Very high	98.2	Very high	2 Å²	2	35 Å²	35	1%	0.014	16%	0.161	C	C	.	.			trans	-66.3	148.2	170.2	63.1	0	0	0	0	111.3	F59 R60 L339 P354 P355 Y356	F59-S358 CarbonylContact C-O 3.58Å; F59-S358 VanDerWaalsContact CA-O 3.32Å; F59-S358 WeakPolarHBondContact CA-O 3.38Å; R60-S358 PolarHBondContact N-O 3.38Å; L339-S358 WeakPolarHBondContact CD2-O 3.48Å; L339-S358 WeakPolarHBondContact CD2-OG 3.35Å; P354-S358 WeakPolarHBondContact CB-OG 3.33Å; P355-S358 VanDerWaalsContact O-CB 3.28Å; P355-S358 WeakPolarHBondContact O-CB 3.21Å; P355-S358 PolarHBondContact O-N 3.35Å; P355-S358 PolarHBondContact O-OG 2.92Å; Y356-S358 PolarHBondContact O-N 2.88Å; Y356-S358 VanDerWaalsContact O-N 3.12Å
359	D	98.9	Very high	98	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.2	-178.8	68	-63.7	0	0	0	112.9	V57 L58 F59 L137 R140 T361 Y379 I380	V57-D359 HydrophobicContact CG1-CB 3.97Å; L58-D359 CarbonylContact O-C 3.59Å; L58-D359 VanDerWaalsContact O-CA 3.27Å; L58-D359 WeakPolarHBondContact O-CA 3.41Å; F59-D359 HydrophobicContact CB-CB 3.95Å; L137-D359 HydrophobicContact CD1-CB 4.41Å; L137-D359 HydrophobicContact CD2-CB 4.38Å; R140-D359 IonicContact CZ-OD1 2.85Å; R140-D359 IonicContact NH1-OD1 3.19Å; R140-D359 PolarHBondContact NH1-OD1 2.73Å; R140-D359 IonicContact NH2-OD1 2.71Å; R140-D359 PolarHBondContact NH2-OD1 2.72Å; R140-D359 IonicContact NH2-OD2 3.06Å; R140-D359 PolarHBondContact NH2-OD2 3.2Å; D359-T361 PolarHBondContact OD2-OG1 3.49Å; D359-Y379 WeakPolarHBondContact O-CA 3.3Å; D359-Y379 VanDerWaalsContact O-CD2 3.3Å; D359-Y379 WeakPolarHBondContact O-CD2 3.32Å; D359-I380 PolarHBondContact O-N 3.37Å; D359-I380 WeakPolarHBondContact OD1-CA 3.26Å
360	I	98.9	Very high	97.9	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.4	162	-54.1	172.6	0	0	0	106.5	L58 L339 C342 L343 L346 L362 V377 S378 Y379	L58-I360 HydrophobicContact CD2-CD1 4.47Å; L58-I360 PolarHBondContact N-O 2.82Å; L58-I360 PolarHBondContact O-N 3Å; L339-I360 HydrophobicContact CB-CD1 4.44Å; L339-I360 HydrophobicContact CG-CD1 4.04Å; L339-I360 HydrophobicContact CG-CG1 4.19Å; C342-I360 HydrophobicContact CB-CD1 3.85Å; L343-I360 HydrophobicContact CD2-CD1 3.78Å; L343-I360 HydrophobicContact CD2-CG1 4.02Å; L343-I360 HydrophobicContact CG-CD1 3.83Å; L343-I360 HydrophobicContact CG-CG1 4.46Å; L346-I360 HydrophobicContact CD1-CG2 4.18Å; I360-L362 HydrophobicContact CG2-CD1 3.85Å; I360-V377 HydrophobicContact CG2-CG1 4.1Å; I360-S378 WeakPolarHBondContact CA-O 3.17Å; I360-Y379 HydrophobicContact CG1-CD2 3.97Å
361	T	98.9	Very high	97.8	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.025	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.3	179.8	-65	0	0	0	0	109.7	V55 Q56 V57 Y145 D359 E363 V377 S378	V55-T361 HydrophobicContact CG1-CG2 4.03Å; Q56-T361 CarbonylContact O-C 3.51Å; Q56-T361 WeakPolarHBondContact O-CA 3.06Å; V57-T361 HydrophobicContact CG2-CG2 4.22Å; Y145-T361 WeakPolarHBondContact OH-CG2 3.49Å; D359-T361 PolarHBondContact OD2-OG1 3.49Å; T361-E363 HydrophobicContact CG2-CG 4.2Å; T361-V377 CarbonylContact O-C 3.58Å; T361-V377 WeakPolarHBondContact O-CA 3.43Å; T361-S378 PolarHBondContact N-O 3.49Å; T361-S378 PolarHBondContact O-N 2.96Å
362	L	98.9	Very high	97.7	Very high	9 Å²	9	48.1 Å²	48.1	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.9	172.7	-73.4	73.7	0	0	0	108.6	V55 Q56 I360 K376 V377 F399	V55-L362 CarbonylContact C-O 3.58Å; V55-L362 WeakPolarHBondContact CA-O 3.35Å; Q56-L362 HydrophobicContact CB-CB 4.37Å; Q56-L362 PolarHBondContact N-O 2.98Å; Q56-L362 PolarHBondContact O-N 2.77Å; I360-L362 HydrophobicContact CG2-CD1 3.85Å; L362-K376 WeakPolarHBondContact CA-O 3.38Å; L362-V377 HydrophobicContact CG-CG2 4.33Å; L362-F399 HydrophobicContact CD2-CE1 4.27Å; L362-F399 HydrophobicContact CD2-CZ 4.03Å
363	E	98.8	Very high	97.7	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.023	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126	174.9	-61.7	-178.3	161.6	0	0	110.1	L52 L54 V55 R144 Y145 T361 H365 V375 K376	L52-E363 HydrophobicContact CD1-CB 3.75Å; L52-E363 HydrophobicContact CD1-CG 4.13Å; L54-E363 CarbonylContact O-C 3.47Å; L54-E363 WeakPolarHBondContact O-CA 3.27Å; V55-E363 HydrophobicContact CG2-CG 4.4Å; R144-E363 IonicContact CZ-OE1 2.7Å; R144-E363 IonicContact NE-OE1 3.13Å; R144-E363 PolarHBondContact NE-OE1 2.85Å; R144-E363 IonicContact NH2-OE1 3.07Å; R144-E363 PolarHBondContact NH2-OE1 2.91Å; R144-E363 IonicContact NH2-OE2 3.2Å; R144-E363 PolarHBondContact NH2-OE2 2.67Å; R144-E363 VanDerWaalsContact NH2-OE2 3.13Å; Y145-E363 WeakPolarHBondContact CE1-OE1 3.37Å; Y145-E363 VanDerWaalsContact CZ-OE1 3.27Å; Y145-E363 PolarHBondContact OH-OE1 3.15Å; T361-E363 HydrophobicContact CG2-CG 4.2Å; E363-H365 WeakPolarHBondContact CB-NE2 3.48Å; E363-H365 IonicContact OE2-CD2 3.61Å; E363-H365 IonicContact OE2-CE1 3.24Å; E363-H365 IonicContact OE2-NE2 3.22Å; E363-H365 PolarHBondContact OE2-NE2 3.23Å; E363-V375 CarbonylContact O-C 3.58Å; E363-V375 WeakPolarHBondContact O-CA 3.38Å; E363-K376 HydrophobicContact CB-CB 4.37Å; E363-K376 PolarHBondContact N-O 3.42Å; E363-K376 PolarHBondContact O-N 2.85Å; E363-K376 VanDerWaalsContact OE2-CE 3.31Å; E363-K376 WeakPolarHBondContact OE2-CE 3.06Å
364	L	98.6	Very high	97.7	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.9	167.7	177.6	62.9	0	0	0	109.3	K53 L54 I314 K317 L318 A373	K53-L364 HydrophobicContact CB-CD2 4.04Å; K53-L364 HydrophobicContact CB-CG 4.12Å; K53-L364 PolarHBondContact N-O 2.91Å; L54-L364 HydrophobicContact CB-CB 3.81Å; L54-L364 HydrophobicContact CB-CD2 4.17Å; L54-L364 PolarHBondContact N-O 3.02Å; L54-L364 PolarHBondContact O-N 3.27Å; I314-L364 HydrophobicContact CG2-CD1 3.82Å; I314-L364 HydrophobicContact CG2-CD2 4.15Å; I314-L364 HydrophobicContact CG2-CG 4.49Å; K317-L364 HydrophobicContact CB-CD2 4.21Å; K317-L364 HydrophobicContact CG-CD2 4.24Å; L318-L364 HydrophobicContact CD1-CD1 4.36Å; L318-L364 HydrophobicContact CD2-CD1 4.5Å; L318-L364 HydrophobicContact CD2-CD2 4.09Å; L318-L364 HydrophobicContact CG-CD2 3.99Å; L364-A373 HydrophobicContact CD1-CB 4.22Å
365	H	98.3	Very high	97.7	Very high	13 Å²	13	41 Å²	41	6%	0.06	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.9	176	-70.9	-92.6	0	0	0	110.2	E51 E363 A373 F374 Y393	E51-H365 CarbonylContact O-C 3.57Å; E51-H365 WeakPolarHBondContact O-CA 3.37Å; E363-H365 WeakPolarHBondContact CB-NE2 3.48Å; E363-H365 IonicContact OE2-CD2 3.61Å; E363-H365 IonicContact OE2-CE1 3.24Å; E363-H365 IonicContact OE2-NE2 3.22Å; E363-H365 PolarHBondContact OE2-NE2 3.23Å; H365-A373 CarbonylContact O-C 3.55Å; H365-A373 WeakPolarHBondContact O-CA 3.5Å; H365-F374 HydrophobicContact CB-CB 4.4Å; H365-F374 PolarHBondContact N-O 3.45Å; H365-F374 PolarHBondContact O-N 2.04Å; H365-Y393 HydrophobicContact CB-CD1 4.32Å; H365-Y393 HydrophobicContact CB-CE1 4.38Å; H365-Y393 AromaticContact CD2-CE1 3.81Å; H365-Y393 AromaticContact CE1-CE1 3.97Å; H365-Y393 AromaticContact CG-CE1 3.78Å; H365-Y393 AromaticContact ND1-CE1 3.89Å; H365-Y393 AromaticContact NE2-CE1 3.91Å
366	Q	97.2	Very high	97.7	Very high	41 Å²	41	38.7 Å²	38.7	19%	0.192	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.3	167.3	-79.2	-175.1	-49.8	0	0	110.3	Y50 E51 K53 L318 R368 E372 A373	Y50-Q366 CarbonylContact C-O 3.58Å; Y50-Q366 WeakPolarHBondContact CA-O 3.4Å; E51-Q366 PolarHBondContact N-O 3.19Å; E51-Q366 PolarHBondContact O-N 2.93Å; K53-Q366 HydrophobicContact CG-CB 4.16Å; K53-Q366 HydrophobicContact CG-CG 4Å; L318-Q366 HydrophobicContact CD2-CG 4.05Å; L318-Q366 VanDerWaalsContact CD2-NE2 3.3Å; Q366-R368 PolarHBondContact O-N 3.33Å; Q366-E372 CarbonylContact C-O 3.57Å; Q366-E372 WeakPolarHBondContact CA-O 3.49Å; Q366-A373 HydrophobicContact CG-CB 4.43Å
367	H	96.4	Very high	97.7	Very high	34 Å²	34	37.8 Å²	37.8	16%	0.157	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	129.8	173.2	-173.4	-84.9	0	0	0	109.9	P49 Y50 Q369 T370 K371 E372 F374	P49-H367 CarbonylContact O-C 3.59Å; P49-H367 WeakPolarHBondContact O-CA 3.44Å; Y50-H367 HydrophobicContact CD1-CB 4.25Å; Y50-H367 HydrophobicContact CE1-CB 4.28Å; H367-Q369 VanDerWaalsContact C-N 3.29Å; H367-Q369 PolarHBondContact ND1-N 2.91Å; H367-Q369 PolarHBondContact O-N 3.35Å; H367-T370 WeakPolarHBondContact CB-OG1 3.45Å; H367-T370 PolarHBondContact ND1-N 3.34Å; H367-T370 PolarHBondContact ND1-OG1 2.95Å; H367-K371 WeakPolarHBondContact O-CA 3.01Å; H367-K371 PolarHBondContact O-N 2.94Å; H367-E372 PolarHBondContact N-O 3.33Å; H367-F374 HydrophobicContact CB-CE2 4Å
368	R	94.8	Very high	97.7	Very high	119 Å²	119	37.1 Å²	37.1	45%	0.449	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-34.6	-168.6	-71.2	177.1	-177.6	-78.4	-1.4	113.4	F48 P49 Y50 E51 Q366 K371	F48-R368 PolarHBondContact O-NE 3.07Å; P49-R368 WeakPolarHBondContact O-CG 3.42Å; P49-R368 PolarHBondContact O-N 3.49Å; Y50-R368 PolarHBondContact O-NE 3.41Å; Y50-R368 PolarHBondContact O-NH2 3.13Å; E51-R368 HydrophobicContact CB-CG 4.16Å; Q366-R368 PolarHBondContact O-N 3.33Å; R368-K371 PolarHBondContact O-NZ 3.01Å
369	Q	94.3	Very high	97.7	Very high	170 Å²	170	37.7 Å²	37.7	79%	0.794	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-63.7	-177.8	-57.2	174.9	-4.3	0	0	112	H367 K371	H367-Q369 VanDerWaalsContact C-N 3.29Å; H367-Q369 PolarHBondContact ND1-N 2.91Å; H367-Q369 PolarHBondContact O-N 3.35Å; Q369-K371 VanDerWaalsContact C-N 3.3Å; Q369-K371 PolarHBondContact O-N 2.92Å
370	T	95.8	Very high	97.7	Very high	76 Å²	76	40.7 Å²	40.7	47%	0.466	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.7	-178	65	0	0	0	0	115.1	H367 E372	H367-T370 WeakPolarHBondContact CB-OG1 3.45Å; H367-T370 PolarHBondContact ND1-N 3.34Å; H367-T370 PolarHBondContact ND1-OG1 2.95Å; T370-E372 WeakPolarHBondContact CB-OE2 3.36Å; T370-E372 PolarHBondContact O-N 3.3Å; T370-E372 VanDerWaalsContact O-N 3.15Å; T370-E372 WeakPolarHBondContact OG1-CG 3.35Å; T370-E372 PolarHBondContact OG1-N 2.88Å; T370-E372 PolarHBondContact OG1-OE2 3.29Å
371	K	94.9	Very high	97.6	Very high	122 Å²	122	41.8 Å²	41.8	53%	0.53	21%	0.205	S	C	.	.			trans	61.8	9.4	-173.2	-54.1	-55.1	-171.7	-166.9	0	115.1	H367 R368 Q369	H367-K371 WeakPolarHBondContact O-CA 3.01Å; H367-K371 PolarHBondContact O-N 2.94Å; R368-K371 PolarHBondContact O-NZ 3.01Å; Q369-K371 VanDerWaalsContact C-N 3.3Å; Q369-K371 PolarHBondContact O-N 2.92Å
372	E	96.8	Very high	97.5	Very high	115 Å²	115	47.9 Å²	47.9	54%	0.537	23%	0.233	S	C	.	.			trans	-63.7	139.7	174.9	-69.2	167.3	143.8	0	0	110.9	Q366 H367 T370 F374	Q366-E372 CarbonylContact C-O 3.57Å; Q366-E372 WeakPolarHBondContact CA-O 3.49Å; H367-E372 PolarHBondContact N-O 3.33Å; T370-E372 WeakPolarHBondContact CB-OE2 3.36Å; T370-E372 PolarHBondContact O-N 3.3Å; T370-E372 VanDerWaalsContact O-N 3.15Å; T370-E372 WeakPolarHBondContact OG1-CG 3.35Å; T370-E372 PolarHBondContact OG1-N 2.88Å; T370-E372 PolarHBondContact OG1-OE2 3.29Å; E372-F374 HydrophobicContact CB-CE2 3.72Å; E372-F374 HydrophobicContact CB-CZ 4.21Å; E372-F374 WeakPolarHBondContact O-CD2 3.27Å; E372-F374 WeakPolarHBondContact O-CE2 3.42Å
373	A	98.1	Very high	97.5	Very high	18 Å²	18	50.7 Å²	50.7	15%	0.149	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	139.8	-176.8	0	0	0	0	0	111.6	L318 L364 H365 Q366 L396	L318-A373 HydrophobicContact CD1-CB 3.87Å; L318-A373 HydrophobicContact CD2-CB 4.01Å; L364-A373 HydrophobicContact CD1-CB 4.22Å; H365-A373 CarbonylContact O-C 3.55Å; H365-A373 WeakPolarHBondContact O-CA 3.5Å; Q366-A373 HydrophobicContact CG-CB 4.43Å; A373-L396 HydrophobicContact CB-CB 4Å; A373-L396 HydrophobicContact CB-CD2 3.88Å; A373-L396 WeakPolarHBondContact O-CB 3.34Å; A373-L396 PolarHBondContact O-N 2.97Å
374	F	98.5	Very high	97.5	Very high	26 Å²	26	52.7 Å²	52.7	11%	0.114	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.5	-179.7	-61.6	-97.4	0	0	0	110.1	Y50 H365 H367 E372 Y393 C394 P395	Y50-F374 HydrophobicContact CD1-CD2 4.06Å; Y50-F374 HydrophobicContact CD1-CE2 4.44Å; Y50-F374 AromaticContact CE1-CD2 3.67Å; Y50-F374 HydrophobicContact CE1-CD2 3.67Å; Y50-F374 AromaticContact CE1-CE2 3.76Å; Y50-F374 HydrophobicContact CE1-CE2 3.76Å; Y50-F374 HydrophobicContact CE1-CG 4.1Å; Y50-F374 HydrophobicContact CE1-CZ 4.23Å; H365-F374 HydrophobicContact CB-CB 4.4Å; H365-F374 PolarHBondContact N-O 3.45Å; H365-F374 PolarHBondContact O-N 2.04Å; H367-F374 HydrophobicContact CB-CE2 4Å; E372-F374 HydrophobicContact CB-CE2 3.72Å; E372-F374 HydrophobicContact CB-CZ 4.21Å; E372-F374 WeakPolarHBondContact O-CD2 3.27Å; E372-F374 WeakPolarHBondContact O-CE2 3.42Å; F374-Y393 WeakPolarHBondContact CD1-O 3.32Å; F374-C394 CarbonylContact C-O 3.43Å; F374-C394 WeakPolarHBondContact CA-O 3.42Å; F374-P395 HydrophobicContact CD1-CB 4.48Å; F374-P395 HydrophobicContact CD1-CG 4.21Å; F374-P395 HydrophobicContact CE1-CB 4.36Å; F374-P395 HydrophobicContact CE1-CG 3.92Å
375	V	98.6	Very high	97.5	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.4	172.4	-177.1	0	0	0	0	108.7	I314 E363 V377 C394 L396 F399	I314-V375 HydrophobicContact CD1-CG2 4.05Å; E363-V375 CarbonylContact O-C 3.58Å; E363-V375 WeakPolarHBondContact O-CA 3.38Å; V375-V377 HydrophobicContact CG1-CG2 4.28Å; V375-C394 PolarHBondContact N-O 3.22Å; V375-C394 WeakPolarHBondContact O-CB 3.45Å; V375-C394 PolarHBondContact O-N 2.84Å; V375-L396 HydrophobicContact CG2-CD1 3.74Å; V375-F399 HydrophobicContact CB-CB 4.37Å; V375-F399 HydrophobicContact CB-CD1 3.93Å; V375-F399 HydrophobicContact CB-CD2 4.27Å; V375-F399 HydrophobicContact CB-CE1 4.25Å; V375-F399 HydrophobicContact CB-CG 3.92Å; V375-F399 HydrophobicContact CG1-CD1 3.97Å; V375-F399 HydrophobicContact CG1-CD2 4.28Å; V375-F399 HydrophobicContact CG1-CE1 3.76Å; V375-F399 HydrophobicContact CG1-CE2 4.11Å; V375-F399 HydrophobicContact CG1-CG 4.21Å; V375-F399 HydrophobicContact CG1-CZ 3.83Å; V375-F399 HydrophobicContact CG2-CB 4.4Å; V375-F399 HydrophobicContact CG2-CD1 3.77Å; V375-F399 HydrophobicContact CG2-CE1 4.25Å; V375-F399 HydrophobicContact CG2-CG 4.13Å
376	K	98.5	Very high	97.4	Very high	16 Å²	16	57 Å²	57	7%	0.07	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.8	170	-174.3	173.1	103.3	162.2	0	109.3	R144 L362 E363 D383 V392 Y393	R144-K376 VanDerWaalsContact NH2-NZ 3.14Å; L362-K376 WeakPolarHBondContact CA-O 3.38Å; E363-K376 HydrophobicContact CB-CB 4.37Å; E363-K376 PolarHBondContact N-O 3.42Å; E363-K376 PolarHBondContact O-N 2.85Å; E363-K376 VanDerWaalsContact OE2-CE 3.31Å; E363-K376 WeakPolarHBondContact OE2-CE 3.06Å; K376-D383 VanDerWaalsContact CE-CG 3.46Å; K376-D383 WeakPolarHBondContact CE-OD1 3.31Å; K376-D383 VanDerWaalsContact CE-OD2 3.29Å; K376-D383 WeakPolarHBondContact CE-OD2 3.38Å; K376-D383 VanDerWaalsContact NZ-CG 3.31Å; K376-D383 IonicContact NZ-OD1 2.79Å; K376-D383 PolarHBondContact NZ-OD1 2.95Å; K376-D383 IonicContact NZ-OD2 2.93Å; K376-D383 PolarHBondContact NZ-OD2 3.01Å; K376-V392 HydrophobicContact CD-CG1 3.84Å; K376-V392 HydrophobicContact CG-CG1 3.85Å; K376-Y393 HydrophobicContact CD-CE1 4.28Å; K376-Y393 HydrophobicContact CD-CE2 4.14Å
377	V	98.8	Very high	97.4	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.3	177.9	-176.1	0	0	0	0	109.1	L346 I348 I360 T361 L362 V375 Q384 V386 F399	L346-V377 HydrophobicContact CD1-CG1 4.41Å; I348-V377 HydrophobicContact CD1-CG1 4.24Å; I360-V377 HydrophobicContact CG2-CG1 4.1Å; T361-V377 CarbonylContact O-C 3.58Å; T361-V377 WeakPolarHBondContact O-CA 3.43Å; L362-V377 HydrophobicContact CG-CG2 4.33Å; V375-V377 HydrophobicContact CG1-CG2 4.28Å; V377-Q384 PolarHBondContact O-N 3.4Å; V377-V386 HydrophobicContact CB-CG2 4.04Å; V377-V386 HydrophobicContact CG2-CG2 3.81Å; V377-F399 HydrophobicContact CG2-CE2 3.67Å; V377-F399 HydrophobicContact CG2-CZ 4.02Å
378	S	98.8	Very high	97.4	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.007	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144	171.2	-44.9	0	0	0	0	109.9	I360 T361 Q382 D383	I360-S378 WeakPolarHBondContact CA-O 3.17Å; T361-S378 PolarHBondContact N-O 3.49Å; T361-S378 PolarHBondContact O-N 2.96Å; S378-Q382 CarbonylContact C-O 3.47Å; S378-Q382 WeakPolarHBondContact CA-O 3.29Å; S378-Q382 WeakPolarHBondContact CB-O 3.49Å; S378-D383 PolarHBondContact OG-OD1 3.49Å
379	Y	98.8	Very high	97.6	Very high	14 Å²	14	55.4 Å²	55.4	6%	0.055	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.8	171.5	176.1	-125.7	0	0	0	108.9	L343 P354 D359 I360 G381 Q382	L343-Y379 HydrophobicContact CD1-CD2 4.3Å; L343-Y379 HydrophobicContact CD1-CE1 4.18Å; L343-Y379 HydrophobicContact CD1-CE2 3.79Å; L343-Y379 HydrophobicContact CD2-CD1 4.29Å; L343-Y379 HydrophobicContact CD2-CD2 3.84Å; L343-Y379 HydrophobicContact CD2-CE2 4.2Å; L343-Y379 HydrophobicContact CD2-CG 3.91Å; P354-Y379 WeakPolarHBondContact CA-OH 3.48Å; D359-Y379 WeakPolarHBondContact O-CA 3.3Å; D359-Y379 VanDerWaalsContact O-CD2 3.3Å; D359-Y379 WeakPolarHBondContact O-CD2 3.32Å; I360-Y379 HydrophobicContact CG1-CD2 3.97Å; Y379-G381 PolarHBondContact O-N 3.15Å; Y379-Q382 PolarHBondContact N-O 3.43Å; Y379-Q382 WeakPolarHBondContact O-CB 3.47Å; Y379-Q382 PolarHBondContact O-N 3.06Å
380	I	98.3	Very high	97.7	Very high	65 Å²	65	51.5 Å²	51.5	33%	0.333	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	43.9	-175.3	-45	178.2	0	0	0	110.9	P355 D359 Q382	P355-I380 HydrophobicContact CG-CD1 3.74Å; D359-I380 PolarHBondContact O-N 3.37Å; D359-I380 WeakPolarHBondContact OD1-CA 3.26Å; I380-Q382 PolarHBondContact O-N 3.44Å; I380-Q382 VanDerWaalsContact O-N 3.17Å
381	G	97	Very high	97.8	Very high	26 Å²	26	48.9 Å²	48.9	27%	0.268	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	1.4	-179.2	0	0	0	0	0	116	Y379	Y379-G381 PolarHBondContact O-N 3.15Å
382	Q	98.2	Very high	97.9	Very high	132 Å²	132	45.7 Å²	45.7	62%	0.617	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.7	175.9	-59.9	-55.5	-49.4	0	0	110.3	S378 Y379 I380 Q384	S378-Q382 CarbonylContact C-O 3.47Å; S378-Q382 WeakPolarHBondContact CA-O 3.29Å; S378-Q382 WeakPolarHBondContact CB-O 3.49Å; Y379-Q382 PolarHBondContact N-O 3.43Å; Y379-Q382 WeakPolarHBondContact O-CB 3.47Å; Y379-Q382 PolarHBondContact O-N 3.06Å; I380-Q382 PolarHBondContact O-N 3.44Å; I380-Q382 VanDerWaalsContact O-N 3.17Å; Q382-Q384 PolarHBondContact O-NE2 3.01Å
383	D	98.4	Very high	97.9	Very high	68 Å²	68	42.7 Å²	42.7	36%	0.364	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	139.1	177.2	-69.6	-10.7	0	0	0	111.3	K376 S378 V392	K376-D383 VanDerWaalsContact CE-CG 3.46Å; K376-D383 WeakPolarHBondContact CE-OD1 3.31Å; K376-D383 VanDerWaalsContact CE-OD2 3.29Å; K376-D383 WeakPolarHBondContact CE-OD2 3.38Å; K376-D383 VanDerWaalsContact NZ-CG 3.31Å; K376-D383 IonicContact NZ-OD1 2.79Å; K376-D383 PolarHBondContact NZ-OD1 2.95Å; K376-D383 IonicContact NZ-OD2 2.93Å; K376-D383 PolarHBondContact NZ-OD2 3.01Å; S378-D383 PolarHBondContact OG-OD1 3.49Å; D383-V392 HydrophobicContact CB-CG1 3.81Å
384	Q	98.4	Very high	97.9	Very high	47 Å²	47	42 Å²	42	22%	0.22	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.3	-174.3	-57.6	-61.2	-47.3	0	0	110.4	I348 V377 Q382	I348-Q384 HydrophobicContact CD1-CB 4.15Å; I348-Q384 HydrophobicContact CD1-CG 3.86Å; I348-Q384 HydrophobicContact CG2-CB 4.25Å; V377-Q384 PolarHBondContact O-N 3.4Å; Q382-Q384 PolarHBondContact O-NE2 3.01Å
385	L	98.1	Very high	97.9	Very high	100 Å²	100	42.1 Å²	42.1	52%	0.524	26%	0.256	S	S	.	.			trans	-90.7	102.7	165.3	179.3	63.2	0	0	0	108.2	G391	L385-G391 VanDerWaalsContact CD1-C 3.43Å
386	V	97.9	Very high	97.9	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.036	26%	0.259	C	S	.	.			trans	-68	127.3	178.5	175.7	0	0	0	0	109.3	L346 V377 G388 C389 F399 A402	L346-V386 HydrophobicContact CD2-CG2 4.48Å; V377-V386 HydrophobicContact CB-CG2 4.04Å; V377-V386 HydrophobicContact CG2-CG2 3.81Å; V386-G388 PolarHBondContact O-N 2.77Å; V386-C389 HydrophobicContact CB-CB 4.48Å; V386-C389 WeakPolarHBondContact O-CB 3.36Å; V386-C389 PolarHBondContact O-N 2.77Å; V386-F399 HydrophobicContact CG1-CD2 4.5Å; V386-F399 HydrophobicContact CG1-CE2 4.46Å; V386-F399 HydrophobicContact CG2-CE2 4.25Å; V386-A402 HydrophobicContact CG1-CB 4.38Å
387	P	97.2	Very high	97.8	Very high	76 Å²	76	48.5 Å²	48.5	49%	0.494	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	131.3	176.1	-27.8	36.8	0	0	0	112.3	L346 G347	L346-P387 VanDerWaalsContact O-CD 3.31Å; L346-P387 WeakPolarHBondContact O-CD 3.49Å; G347-P387 WeakPolarHBondContact O-CG 3.12Å
388	G	96.3	Very high	97.8	Very high	67 Å²	67	51.2 Å²	51.2	69%	0.691	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	-10.1	-173.1	0	0	0	0	0	114.3	V386	V386-G388 PolarHBondContact O-N 2.77Å
389	C	97.7	Very high	97.8	Very high	16 Å²	16	51.2 Å²	51.2	11%	0.108	30%	0.299	C	S	.	.			trans	-93.1	144.1	172.6	-65.2	0	0	0	0	112.3	V386 G391 C394 E398	V386-C389 HydrophobicContact CB-CB 4.48Å; V386-C389 WeakPolarHBondContact O-CB 3.36Å; V386-C389 PolarHBondContact O-N 2.77Å; C389-G391 VanDerWaalsContact C-N 3.31Å; C389-G391 PolarHBondContact O-N 3.24Å; C389-C394 HydrophobicContact CB-CB 3.51Å; C389-C394 WeakPolarHBondContact CB-SG 3.39Å; C389-C394 WeakPolarHBondContact SG-CB 3.07Å; C389-C394 CovalentContact SG-SG 2.02Å; C389-C394 PolarHBondContact SG-SG 2.88Å; C389-E398 WeakPolarHBondContact CA-OE2 3.19Å
390	S	97.2	Very high	97.7	Very high	88 Å²	88	53.1 Å²	53.1	62%	0.615	31%	0.307	S	S	*	.	S	Bend	trans	-75.7	-15.2	177.3	51.2	0	0	0	0	114	P395 E398	S390-P395 WeakPolarHBondContact OG-CD 3.35Å; S390-E398 WeakPolarHBondContact CB-OE2 2.97Å; S390-E398 PolarHBondContact N-OE2 3.06Å; S390-E398 PolarHBondContact OG-OE1 3.15Å; S390-E398 PolarHBondContact OG-OE2 3.3Å
391	G	96.7	Very high	97.6	Very high	21 Å²	21	56.8 Å²	56.8	22%	0.216	32%	0.323	C	S	.	.	S	Bend	trans	-167.8	176.5	177.8	0	0	0	0	0	113.4	L385 C389 Y393 C394	L385-G391 VanDerWaalsContact CD1-C 3.43Å; C389-G391 VanDerWaalsContact C-N 3.31Å; C389-G391 PolarHBondContact O-N 3.24Å; G391-Y393 VanDerWaalsContact C-N 3.31Å; G391-Y393 CarbonylContact O-C 3.6Å; G391-Y393 PolarHBondContact O-N 3.05Å; G391-C394 PolarHBondContact O-N 3.07Å
392	V	97.1	Very high	97.5	Very high	55 Å²	55	56.6 Å²	56.6	33%	0.333	32%	0.319	S	S	.	.	S	Bend	trans	-61.9	-39.7	177.5	170.9	0	0	0	0	111.6	K376 D383 C394	K376-V392 HydrophobicContact CD-CG1 3.84Å; K376-V392 HydrophobicContact CG-CG1 3.85Å; D383-V392 HydrophobicContact CB-CG1 3.81Å; V392-C394 PolarHBondContact O-N 3.4Å
393	Y	97.8	Very high	97.3	Very high	52 Å²	52	50.5 Å²	50.5	20%	0.204	29%	0.291	C	S	.	.	S	Bend	trans	-82.5	90.7	162.1	-70.9	-95.7	0	0	0	106.8	Y50 H365 F374 K376 G391 P395	Y50-Y393 HydrophobicContact CD1-CD1 4.39Å; Y50-Y393 AromaticContact CD2-CD1 3.85Å; Y50-Y393 HydrophobicContact CD2-CD1 3.85Å; Y50-Y393 AromaticContact CD2-CE1 3.74Å; Y50-Y393 HydrophobicContact CD2-CE1 3.74Å; Y50-Y393 HydrophobicContact CD2-CE2 4.47Å; Y50-Y393 HydrophobicContact CD2-CG 4.26Å; Y50-Y393 HydrophobicContact CE2-CD1 4.02Å; Y50-Y393 HydrophobicContact CE2-CD2 4.2Å; Y50-Y393 HydrophobicContact CE2-CE1 4.28Å; Y50-Y393 HydrophobicContact CE2-CE2 4.46Å; Y50-Y393 AromaticContact CE2-CG 3.98Å; Y50-Y393 HydrophobicContact CE2-CG 3.98Å; Y50-Y393 HydrophobicContact CG-CD1 4.05Å; Y50-Y393 HydrophobicContact CG-CE1 4.03Å; H365-Y393 HydrophobicContact CB-CD1 4.32Å; H365-Y393 HydrophobicContact CB-CE1 4.38Å; H365-Y393 AromaticContact CD2-CE1 3.81Å; H365-Y393 AromaticContact CE1-CE1 3.97Å; H365-Y393 AromaticContact CG-CE1 3.78Å; H365-Y393 AromaticContact ND1-CE1 3.89Å; H365-Y393 AromaticContact NE2-CE1 3.91Å; F374-Y393 WeakPolarHBondContact CD1-O 3.32Å; K376-Y393 HydrophobicContact CD-CE1 4.28Å; K376-Y393 HydrophobicContact CD-CE2 4.14Å; G391-Y393 VanDerWaalsContact C-N 3.31Å; G391-Y393 CarbonylContact O-C 3.6Å; G391-Y393 PolarHBondContact O-N 3.05Å; Y393-P395 WeakPolarHBondContact O-CD 3.32Å
394	C	98.4	Very high	96.9	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.02	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	123.4	-176	-179	0	0	0	0	110.4	F374 V375 C389 G391 V392 L396 F399	F374-C394 CarbonylContact C-O 3.43Å; F374-C394 WeakPolarHBondContact CA-O 3.42Å; V375-C394 PolarHBondContact N-O 3.22Å; V375-C394 WeakPolarHBondContact O-CB 3.45Å; V375-C394 PolarHBondContact O-N 2.84Å; C389-C394 HydrophobicContact CB-CB 3.51Å; C389-C394 WeakPolarHBondContact CB-SG 3.39Å; C389-C394 WeakPolarHBondContact SG-CB 3.07Å; C389-C394 CovalentContact SG-SG 2.02Å; C389-C394 PolarHBondContact SG-SG 2.88Å; G391-C394 PolarHBondContact O-N 3.07Å; V392-C394 PolarHBondContact O-N 3.4Å; C394-L396 PolarHBondContact O-N 2.84Å; C394-F399 HydrophobicContact CB-CB 4.47Å; C394-F399 PolarHBondContact SG-N 2.8Å; C394-F399 VanDerWaalsContact SG-N 3.43Å
395	P	98.2	Very high	96.5	Very high	30 Å²	30	51.1 Å²	51.1	20%	0.195	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.9	132.9	170	-26.7	33.5	0	0	0	111.1	F374 S390 Y393 Q397 E398 F399	F374-P395 HydrophobicContact CD1-CB 4.48Å; F374-P395 HydrophobicContact CD1-CG 4.21Å; F374-P395 HydrophobicContact CE1-CB 4.36Å; F374-P395 HydrophobicContact CE1-CG 3.92Å; S390-P395 WeakPolarHBondContact OG-CD 3.35Å; Y393-P395 WeakPolarHBondContact O-CD 3.32Å; P395-Q397 PolarHBondContact O-N 2.75Å; P395-E398 HydrophobicContact CB-CB 4.44Å; P395-E398 HydrophobicContact CB-CG 4.17Å; P395-E398 WeakPolarHBondContact CD-OE2 3.39Å; P395-E398 HydrophobicContact CG-CG 4.4Å; P395-E398 WeakPolarHBondContact O-CB 3.35Å; P395-E398 PolarHBondContact O-N 2.78Å; P395-F399 PolarHBondContact O-N 2.78Å
396	L	98	Very high	96.3	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-55.6	-34.9	-172.3	176.7	62.9	0	0	0	113.1	M311 I314 L318 A373 V375 C394 F399 K400	M311-L396 HydrophobicContact CE-CD1 4.15Å; I314-L396 HydrophobicContact CG2-CD1 3.74Å; I314-L396 HydrophobicContact CG2-CD2 4.31Å; L318-L396 HydrophobicContact CD1-CD2 3.33Å; A373-L396 HydrophobicContact CB-CB 4Å; A373-L396 HydrophobicContact CB-CD2 3.88Å; A373-L396 WeakPolarHBondContact O-CB 3.34Å; A373-L396 PolarHBondContact O-N 2.97Å; V375-L396 HydrophobicContact CG2-CD1 3.74Å; C394-L396 PolarHBondContact O-N 2.84Å; L396-F399 PolarHBondContact O-N 3.48Å; L396-K400 HydrophobicContact CD1-CG 4.31Å; L396-K400 HydrophobicContact CG-CD 4.32Å; L396-K400 HydrophobicContact CG-CG 4.46Å; L396-K400 WeakPolarHBondContact O-CB 3.35Å; L396-K400 VanDerWaalsContact O-CG 3.3Å; L396-K400 WeakPolarHBondContact O-CG 3.12Å; L396-K400 PolarHBondContact O-N 3.33Å
397	Q	97.5	Very high	96.2	Very high	138 Å²	138	50 Å²	50	65%	0.645	29%	0.293	S	S	*	.	H	α-helix	trans	-67.9	-39.9	178.5	-63.3	-58.9	-24.5	0	0	112.4	P395 F399 K400 Q401	P395-Q397 PolarHBondContact O-N 2.75Å; Q397-F399 VanDerWaalsContact C-N 3.35Å; Q397-K400 PolarHBondContact O-N 2.73Å; Q397-Q401 WeakPolarHBondContact O-CB 3.05Å; Q397-Q401 PolarHBondContact O-N 3.19Å
398	E	98.3	Very high	96.2	Very high	58 Å²	58	46.5 Å²	46.5	27%	0.271	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-43.3	174.3	-66.5	175.4	-168.8	0	0	110.3	C389 S390 P395 K400 Q401 A402	C389-E398 WeakPolarHBondContact CA-OE2 3.19Å; S390-E398 WeakPolarHBondContact CB-OE2 2.97Å; S390-E398 PolarHBondContact N-OE2 3.06Å; S390-E398 PolarHBondContact OG-OE1 3.15Å; S390-E398 PolarHBondContact OG-OE2 3.3Å; P395-E398 HydrophobicContact CB-CB 4.44Å; P395-E398 HydrophobicContact CB-CG 4.17Å; P395-E398 WeakPolarHBondContact CD-OE2 3.39Å; P395-E398 HydrophobicContact CG-CG 4.4Å; P395-E398 WeakPolarHBondContact O-CB 3.35Å; P395-E398 PolarHBondContact O-N 2.78Å; E398-K400 PolarHBondContact O-N 3Å; E398-Q401 PolarHBondContact O-N 3.42Å; E398-A402 PolarHBondContact O-N 2.85Å
399	F	98.1	Very high	96.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-44.9	177.1	-169	-108.7	0	0	0	112.1	M311 L346 L362 V375 V377 V386 C394 P395 L396 Q397 Q401 A402 L403	M311-F399 HydrophobicContact CE-CD1 4.15Å; M311-F399 HydrophobicContact CE-CE1 4.49Å; M311-F399 HydrophobicContact SD-CD1 3.69Å; M311-F399 HydrophobicContact SD-CE1 3.48Å; M311-F399 WeakPolarHBondContact SD-CE1 3.27Å; L346-F399 HydrophobicContact CD2-CE2 4.04Å; L346-F399 HydrophobicContact CD2-CZ 4.14Å; L362-F399 HydrophobicContact CD2-CE1 4.27Å; L362-F399 HydrophobicContact CD2-CZ 4.03Å; V375-F399 HydrophobicContact CB-CB 4.37Å; V375-F399 HydrophobicContact CB-CD1 3.93Å; V375-F399 HydrophobicContact CB-CD2 4.27Å; V375-F399 HydrophobicContact CB-CE1 4.25Å; V375-F399 HydrophobicContact CB-CG 3.92Å; V375-F399 HydrophobicContact CG1-CD1 3.97Å; V375-F399 HydrophobicContact CG1-CD2 4.28Å; V375-F399 HydrophobicContact CG1-CE1 3.76Å; V375-F399 HydrophobicContact CG1-CE2 4.11Å; V375-F399 HydrophobicContact CG1-CG 4.21Å; V375-F399 HydrophobicContact CG1-CZ 3.83Å; V375-F399 HydrophobicContact CG2-CB 4.4Å; V375-F399 HydrophobicContact CG2-CD1 3.77Å; V375-F399 HydrophobicContact CG2-CE1 4.25Å; V375-F399 HydrophobicContact CG2-CG 4.13Å; V377-F399 HydrophobicContact CG2-CE2 3.67Å; V377-F399 HydrophobicContact CG2-CZ 4.02Å; V386-F399 HydrophobicContact CG1-CD2 4.5Å; V386-F399 HydrophobicContact CG1-CE2 4.46Å; V386-F399 HydrophobicContact CG2-CE2 4.25Å; C394-F399 HydrophobicContact CB-CB 4.47Å; C394-F399 PolarHBondContact SG-N 2.8Å; C394-F399 VanDerWaalsContact SG-N 3.43Å; P395-F399 PolarHBondContact O-N 2.78Å; L396-F399 PolarHBondContact O-N 3.48Å; Q397-F399 VanDerWaalsContact C-N 3.35Å; F399-Q401 VanDerWaalsContact C-N 3.32Å; F399-Q401 PolarHBondContact O-N 3.1Å; F399-A402 PolarHBondContact O-N 3.46Å; F399-L403 HydrophobicContact CD1-CD1 4.13Å; F399-L403 HydrophobicContact CE1-CD1 3.41Å; F399-L403 VanDerWaalsContact CE1-CD1 3.41Å; F399-L403 HydrophobicContact CE1-CG 4.38Å; F399-L403 HydrophobicContact CE2-CD1 4.15Å; F399-L403 HydrophobicContact CZ-CD1 3.43Å; F399-L403 VanDerWaalsContact CZ-CD1 3.43Å; F399-L403 HydrophobicContact CZ-CG 4.25Å; F399-L403 PolarHBondContact O-N 2.81Å
400	K	97.1	Very high	96	Very high	54 Å²	54	49.2 Å²	49.2	24%	0.235	27%	0.266	C	S	.	.	H	α-helix	trans	-57.7	-45.3	173.5	-79.7	-180	-177.3	-158.3	0	111.2	M311 E315 L396 Q397 E398 L403 S404	M311-K400 HydrophobicContact CE-CD 4.48Å; M311-K400 HydrophobicContact CE-CG 3.53Å; E315-K400 WeakPolarHBondContact OE1-CE 3.17Å; E315-K400 IonicContact OE1-NZ 2.83Å; E315-K400 PolarHBondContact OE1-NZ 2.72Å; L396-K400 HydrophobicContact CD1-CG 4.31Å; L396-K400 HydrophobicContact CG-CD 4.32Å; L396-K400 HydrophobicContact CG-CG 4.46Å; L396-K400 WeakPolarHBondContact O-CB 3.35Å; L396-K400 VanDerWaalsContact O-CG 3.3Å; L396-K400 WeakPolarHBondContact O-CG 3.12Å; L396-K400 PolarHBondContact O-N 3.33Å; Q397-K400 PolarHBondContact O-N 2.73Å; E398-K400 PolarHBondContact O-N 3Å; K400-L403 PolarHBondContact O-N 3.42Å; K400-S404 WeakPolarHBondContact O-CA 3.14Å; K400-S404 VanDerWaalsContact O-CB 3.26Å; K400-S404 WeakPolarHBondContact O-CB 3.31Å; K400-S404 PolarHBondContact O-N 3.16Å
401	Q	96.8	Very high	95.8	Very high	143 Å²	143	51.4 Å²	51.4	67%	0.668	27%	0.267	S	S	*	.	H	α-helix	trans	-63.9	-43.8	178.8	-172	172.9	9.3	0	0	111.9	Q397 E398 F399 L403 S404	Q397-Q401 WeakPolarHBondContact O-CB 3.05Å; Q397-Q401 PolarHBondContact O-N 3.19Å; E398-Q401 PolarHBondContact O-N 3.42Å; F399-Q401 VanDerWaalsContact C-N 3.32Å; F399-Q401 PolarHBondContact O-N 3.1Å; Q401-L403 VanDerWaalsContact C-N 3.32Å; Q401-L403 PolarHBondContact O-N 3.39Å; Q401-S404 PolarHBondContact O-N 3.37Å; Q401-S404 PolarHBondContact O-OG 3.32Å
402	A	95	Very high	95.7	Very high	22 Å²	22	54 Å²	54	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-42.4	176.8	0	0	0	0	0	112	V386 E398 F399	V386-A402 HydrophobicContact CG1-CB 4.38Å; E398-A402 PolarHBondContact O-N 2.85Å; F399-A402 PolarHBondContact O-N 3.46Å
403	L	93.8	Very high	95.7	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-88	-16.3	-179.1	-69.9	-173.5	0	0	0	115.3	L307 M311 L346 F399 K400 Q401 N405 Y406 S407	L307-L403 HydrophobicContact CD1-CD2 4.46Å; L307-L403 HydrophobicContact CD2-CD1 4.46Å; L307-L403 HydrophobicContact CD2-CD2 4.42Å; M311-L403 HydrophobicContact CG-CD1 4.35Å; M311-L403 HydrophobicContact SD-CD1 3.91Å; L346-L403 HydrophobicContact CD2-CD1 4.38Å; L346-L403 HydrophobicContact CD2-CD2 3.81Å; L346-L403 HydrophobicContact CD2-CG 4.47Å; L346-L403 HydrophobicContact CG-CD2 4.34Å; F399-L403 HydrophobicContact CD1-CD1 4.13Å; F399-L403 HydrophobicContact CE1-CD1 3.41Å; F399-L403 VanDerWaalsContact CE1-CD1 3.41Å; F399-L403 HydrophobicContact CE1-CG 4.38Å; F399-L403 HydrophobicContact CE2-CD1 4.15Å; F399-L403 HydrophobicContact CZ-CD1 3.43Å; F399-L403 VanDerWaalsContact CZ-CD1 3.43Å; F399-L403 HydrophobicContact CZ-CG 4.25Å; F399-L403 PolarHBondContact O-N 2.81Å; K400-L403 PolarHBondContact O-N 3.42Å; Q401-L403 VanDerWaalsContact C-N 3.32Å; Q401-L403 PolarHBondContact O-N 3.39Å; L403-N405 PolarHBondContact O-N 3.49Å; L403-Y406 PolarHBondContact O-N 3.46Å; L403-S407 PolarHBondContact O-N 3.48Å
404	S	90.6	Very high	95.5	Very high	61 Å²	61	56.1 Å²	56.1	43%	0.427	28%	0.283	S	S	.	.	H	α-helix	trans	-54.7	-24.9	179.9	67.9	0	0	0	0	112.4	K400 Q401 Y406	K400-S404 WeakPolarHBondContact O-CA 3.14Å; K400-S404 VanDerWaalsContact O-CB 3.26Å; K400-S404 WeakPolarHBondContact O-CB 3.31Å; K400-S404 PolarHBondContact O-N 3.16Å; Q401-S404 PolarHBondContact O-N 3.37Å; Q401-S404 PolarHBondContact O-OG 3.32Å; S404-Y406 VanDerWaalsContact C-N 3.3Å; S404-Y406 PolarHBondContact O-N 2.96Å
405	N	88.7	Confident	95.3	Very high	67 Å²	67	58.4 Å²	58.4	36%	0.358	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.5	179	-69.2	-25.4	0	0	0	113.8	R296 Q300 L403	R296-N405 WeakPolarHBondContact CD-O 3.19Å; R296-N405 VanDerWaalsContact CG-O 3.31Å; R296-N405 WeakPolarHBondContact CG-O 3.43Å; R296-N405 VanDerWaalsContact CZ-OD1 3.31Å; R296-N405 PolarHBondContact NE-O 3.4Å; R296-N405 PolarHBondContact NH1-OD1 3.33Å; R296-N405 PolarHBondContact NH2-O 2.86Å; R296-N405 PolarHBondContact NH2-OD1 2.9Å; Q300-N405 WeakPolarHBondContact CG-O 3.41Å; Q300-N405 PolarHBondContact NE2-O 3.46Å; Q300-N405 VanDerWaalsContact NE2-O 3.14Å; L403-N405 PolarHBondContact O-N 3.49Å
406	Y	95.1	Very high	95.1	Very high	51 Å²	51	57.6 Å²	57.6	20%	0.2	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-25.1	-171.5	-55.8	-70.6	0	0	0	113.2	R296 L299 G304 A345 L403 S404	R296-Y406 HydrophobicContact CG-CD1 4.31Å; R296-Y406 HydrophobicContact CG-CE1 4.16Å; L299-Y406 HydrophobicContact CB-CD1 3.86Å; L299-Y406 HydrophobicContact CB-CE1 4.19Å; L299-Y406 HydrophobicContact CD1-CD1 4.17Å; L299-Y406 HydrophobicContact CD1-CE1 3.79Å; G304-Y406 WeakPolarHBondContact CA-O 3.38Å; A345-Y406 HydrophobicContact CB-CD1 4.33Å; A345-Y406 HydrophobicContact CB-CD2 3.95Å; A345-Y406 HydrophobicContact CB-CG 3.8Å; A345-Y406 WeakPolarHBondContact O-CD2 3.07Å; A345-Y406 WeakPolarHBondContact O-CE2 3.4Å; L403-Y406 PolarHBondContact O-N 3.46Å; S404-Y406 VanDerWaalsContact C-N 3.3Å; S404-Y406 PolarHBondContact O-N 2.96Å
407	S	95.6	Very high	94.9	Very high	30 Å²	30	57.1 Å²	57.1	21%	0.21	29%	0.29	C	S	.	.			trans	-61.9	137.9	175	-176.2	0	0	0	0	111.7	H308 L403	H308-S407 WeakPolarHBondContact CA-OG 3.3Å; H308-S407 WeakPolarHBondContact CB-OG 3.31Å; L403-S407 PolarHBondContact O-N 3.48Å
408	L	95.6	Very high	94.4	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	29%	0.286	C	S	.	.			trans	-132.7	133	172.9	-71.6	-173.6	0	0	0	109.9	Q300 G304 P305 H308 L412 Y413 L416	Q300-L408 HydrophobicContact CB-CD1 3.75Å; Q300-L408 HydrophobicContact CB-CD2 4.18Å; Q300-L408 HydrophobicContact CB-CG 3.82Å; Q300-L408 HydrophobicContact CG-CD2 4.28Å; Q300-L408 HydrophobicContact CG-CG 4.27Å; Q300-L408 WeakPolarHBondContact O-CD1 3.36Å; G304-L408 PolarHBondContact O-N 2.82Å; G304-L408 VanDerWaalsContact O-N 3.08Å; P305-L408 WeakPolarHBondContact CA-O 3.24Å; H308-L408 WeakPolarHBondContact CB-O 3.25Å; L408-L412 HydrophobicContact CD2-CD2 3.65Å; L408-L412 HydrophobicContact CD2-CG 4.07Å; L408-Y413 HydrophobicContact CD1-CD2 4.13Å; L408-L416 HydrophobicContact CD1-CD1 3.87Å; L408-L416 HydrophobicContact CD2-CD1 4.24Å
409	T	96.1	Very high	93.7	Very high	53 Å²	53	59.3 Å²	59.3	33%	0.325	30%	0.298	S	S	.	.			trans	-67.2	159.6	167.2	80.5	0	0	0	0	110	E411 L412 Y413	T409-E411 VanDerWaalsContact C-N 3.3Å; T409-E411 WeakPolarHBondContact CB-OE2 3.35Å; T409-E411 PolarHBondContact O-N 3.42Å; T409-E411 PolarHBondContact OG1-OE2 3.21Å; T409-L412 PolarHBondContact O-N 2.99Å; T409-L412 PolarHBondContact OG1-N 3.29Å; T409-Y413 WeakPolarHBondContact O-CB 3.5Å; T409-Y413 PolarHBondContact O-N 3.42Å
410	F	94	Very high	91.9	Very high	88 Å²	88	62.3 Å²	62.3	39%	0.386	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-40.9	179.4	-69.3	-76.6	0	0	0	112.1	I202 P305 V309 L412 Y413 E414	I202-F410 HydrophobicContact CD1-CE1 4.31Å; I202-F410 HydrophobicContact CD1-CZ 4.18Å; I202-F410 HydrophobicContact CG2-CE1 3.84Å; P305-F410 HydrophobicContact CB-CD1 4.4Å; P305-F410 HydrophobicContact CB-CE1 4.19Å; V309-F410 HydrophobicContact CG2-CE2 3.99Å; V309-F410 HydrophobicContact CG2-CZ 3.64Å; F410-L412 PolarHBondContact O-N 3Å; F410-Y413 PolarHBondContact O-N 3.39Å; F410-E414 WeakPolarHBondContact O-CB 3.23Å; F410-E414 PolarHBondContact O-N 3.4Å
411	E	93.9	Very high	89.5	Confident	134 Å²	134	69.7 Å²	69.7	63%	0.626	35%	0.348	S	S	*	.	H	α-helix	trans	-66.2	-41.6	-179.1	-53	74	-161.6	0	0	111.4	T409 S415	T409-E411 VanDerWaalsContact C-N 3.3Å; T409-E411 WeakPolarHBondContact CB-OE2 3.35Å; T409-E411 PolarHBondContact O-N 3.42Å; T409-E411 PolarHBondContact OG1-OE2 3.21Å; E411-S415 VanDerWaalsContact O-CB 3.32Å; E411-S415 WeakPolarHBondContact O-CB 3.35Å; E411-S415 PolarHBondContact O-N 3.39Å
412	L	94.6	Very high	87.4	Confident	76 Å²	76	66.7 Å²	66.7	40%	0.398	36%	0.356	S	S	.	.	H	α-helix	trans	-69.9	-41.1	177.4	-177.9	57.9	0	0	0	111	L408 T409 F410 S415 L416	L408-L412 HydrophobicContact CD2-CD2 3.65Å; L408-L412 HydrophobicContact CD2-CG 4.07Å; T409-L412 PolarHBondContact O-N 2.99Å; T409-L412 PolarHBondContact OG1-N 3.29Å; F410-L412 PolarHBondContact O-N 3Å; L412-S415 WeakPolarHBondContact O-CB 3.45Å; L412-S415 PolarHBondContact O-N 3.02Å; L412-L416 HydrophobicContact CD1-CD1 4.43Å; L412-L416 HydrophobicContact CD1-CG 4.31Å; L412-L416 HydrophobicContact CG-CD1 4.21Å; L412-L416 VanDerWaalsContact O-CG 3.29Å; L412-L416 WeakPolarHBondContact O-CG 3.3Å; L412-L416 PolarHBondContact O-N 3.22Å
413	Y	96	Very high	85.3	Confident	29 Å²	29	68.2 Å²	68.2	11%	0.114	36%	0.362	C	S	.	.	H	α-helix	trans	-58.5	-50.3	174.8	174.6	-103.2	0	0	0	111.4	C210 L301 P305 L408 T409 F410 S415 L416 C417	C210-Y413 HydrophobicContact CB-CE2 4.49Å; C210-Y413 WeakPolarHBondContact CB-OH 3.44Å; L301-Y413 HydrophobicContact CD2-CD2 4.15Å; L301-Y413 HydrophobicContact CD2-CE2 4.23Å; L301-Y413 WeakPolarHBondContact O-CE2 3.12Å; P305-Y413 HydrophobicContact CG-CD1 3.89Å; P305-Y413 HydrophobicContact CG-CD2 3.48Å; P305-Y413 VanDerWaalsContact CG-CD2 3.48Å; P305-Y413 HydrophobicContact CG-CE1 4.29Å; P305-Y413 HydrophobicContact CG-CE2 3.93Å; P305-Y413 HydrophobicContact CG-CG 3.44Å; P305-Y413 VanDerWaalsContact CG-CG 3.44Å; L408-Y413 HydrophobicContact CD1-CD2 4.13Å; T409-Y413 WeakPolarHBondContact O-CB 3.5Å; T409-Y413 PolarHBondContact O-N 3.42Å; F410-Y413 PolarHBondContact O-N 3.39Å; Y413-S415 VanDerWaalsContact C-N 3.34Å; Y413-S415 PolarHBondContact O-N 3.19Å; Y413-L416 PolarHBondContact O-N 3.02Å; Y413-C417 WeakPolarHBondContact CE2-SG 3.48Å; Y413-C417 WeakPolarHBondContact O-CB 3.46Å; Y413-C417 PolarHBondContact O-N 3.5Å; Y413-C417 PolarHBondContact O-SG 3.02Å
414	E	93.7	Very high	82.7	Confident	122 Å²	122	72.1 Å²	72.1	57%	0.57	40%	0.395	S	S	*	.	H	α-helix	trans	-60.1	-44.1	176.8	-173	-177.4	-173.1	0	0	111.5	F410 L416 C417 N418	F410-E414 WeakPolarHBondContact O-CB 3.23Å; F410-E414 PolarHBondContact O-N 3.4Å; E414-L416 VanDerWaalsContact C-N 3.33Å; E414-L416 PolarHBondContact O-N 3.33Å; E414-C417 PolarHBondContact O-N 3.44Å; E414-N418 WeakPolarHBondContact O-CB 3.42Å; E414-N418 PolarHBondContact O-N 2.97Å; E414-N418 PolarHBondContact O-ND2 3.3Å
415	S	93.9	Very high	80.3	Confident	51 Å²	51	75 Å²	75	36%	0.357	40%	0.402	S	S	.	.	H	α-helix	trans	-57.2	-44.7	175.3	-174.6	0	0	0	0	112.1	E411 L412 Y413 R419	E411-S415 VanDerWaalsContact O-CB 3.32Å; E411-S415 WeakPolarHBondContact O-CB 3.35Å; E411-S415 PolarHBondContact O-N 3.39Å; L412-S415 WeakPolarHBondContact O-CB 3.45Å; L412-S415 PolarHBondContact O-N 3.02Å; Y413-S415 VanDerWaalsContact C-N 3.34Å; Y413-S415 PolarHBondContact O-N 3.19Å; S415-R419 VanDerWaalsContact O-CG 3.32Å; S415-R419 WeakPolarHBondContact O-CG 3.32Å; S415-R419 PolarHBondContact O-N 3.48Å; S415-R419 PolarHBondContact OG-NH2 3.35Å
416	L	94.1	Very high	78.3	Confident	13 Å²	13	80 Å²	80	7%	0.068	44%	0.438	C	S	.	.	H	α-helix	trans	-68.7	-45.6	178.4	-69.7	170.8	0	0	0	111.5	L212 L301 L408 L412 Y413 E414 N418 R419	L212-L416 WeakPolarHBondContact CD2-O 3.4Å; L301-L416 HydrophobicContact CD2-CB 3.89Å; L301-L416 HydrophobicContact CD2-CD1 4.31Å; L408-L416 HydrophobicContact CD1-CD1 3.87Å; L408-L416 HydrophobicContact CD2-CD1 4.24Å; L412-L416 HydrophobicContact CD1-CD1 4.43Å; L412-L416 HydrophobicContact CD1-CG 4.31Å; L412-L416 HydrophobicContact CG-CD1 4.21Å; L412-L416 VanDerWaalsContact O-CG 3.29Å; L412-L416 WeakPolarHBondContact O-CG 3.3Å; L412-L416 PolarHBondContact O-N 3.22Å; Y413-L416 PolarHBondContact O-N 3.02Å; E414-L416 VanDerWaalsContact C-N 3.33Å; E414-L416 PolarHBondContact O-N 3.33Å; L416-N418 PolarHBondContact O-N 3.29Å; L416-R419 WeakPolarHBondContact O-CB 3.45Å; L416-R419 PolarHBondContact O-N 3.2Å
417	C	93.6	Very high	77.4	Confident	2 Å²	2	81.5 Å²	81.5	1%	0.014	45%	0.45	C	S	.	.	H	α-helix	trans	-60	-31.4	-180	-72.7	0	0	0	0	113.3	C210 L212 Y413 E414	C210-C417 HydrophobicContact CB-CB 3.84Å; C210-C417 WeakPolarHBondContact CB-SG 3.32Å; C210-C417 VanDerWaalsContact SG-CA 3.51Å; C210-C417 WeakPolarHBondContact SG-CB 3.37Å; C210-C417 CovalentContact SG-SG 2.04Å; C210-C417 PolarHBondContact SG-SG 3.22Å; L212-C417 PolarHBondContact N-O 3.29Å; Y413-C417 WeakPolarHBondContact CE2-SG 3.48Å; Y413-C417 WeakPolarHBondContact O-CB 3.46Å; Y413-C417 PolarHBondContact O-N 3.5Å; Y413-C417 PolarHBondContact O-SG 3.02Å; E414-C417 PolarHBondContact O-N 3.44Å
418	N	88.3	Confident	76.5	Confident	104 Å²	104	84.2 Å²	84.2	56%	0.556	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-10.9	177.2	-71.8	-27.5	0	0	0	114.1	E414 L416 T420	E414-N418 WeakPolarHBondContact O-CB 3.42Å; E414-N418 PolarHBondContact O-N 2.97Å; E414-N418 PolarHBondContact O-ND2 3.3Å; L416-N418 PolarHBondContact O-N 3.29Å; N418-T420 PolarHBondContact O-N 3.24Å
419	R	82.3	Confident	75.4	Confident	138 Å²	138	88.7 Å²	88.7	52%	0.521	49%	0.488	S	S	.	.			trans	-74.5	112.9	176.4	-76.4	168.8	-162.5	-162.4	2.8	110.2	S415 L416	S415-R419 VanDerWaalsContact O-CG 3.32Å; S415-R419 WeakPolarHBondContact O-CG 3.32Å; S415-R419 PolarHBondContact O-N 3.48Å; S415-R419 PolarHBondContact OG-NH2 3.35Å; L416-R419 WeakPolarHBondContact O-CB 3.45Å; L416-R419 PolarHBondContact O-N 3.2Å
420	T	62.2	Low	74.2	Confident	63 Å²	63	90.8 Å²	90.8	39%	0.387	50%	0.497	S	S	.	.			trans	-106.4	2.9	171	50.4	0	0	0	0	113	R211 N418 G422	R211-T420 HydrophobicContact CG-CG2 4.47Å; R211-T420 VanDerWaalsContact CZ-CG2 3.49Å; N418-T420 PolarHBondContact O-N 3.24Å; T420-G422 PolarHBondContact O-N 3.29Å
421	K	45.3	Very low	73	Confident	210 Å²	210	91 Å²	91	91%	0.913	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	105.2	-178.2	-79.8	-172.2	175.6	-179.2	0	110.8
422	G	52.1	Low	71.6	Confident	80 Å²	80	88.1 Å²	88.1	83%	0.825	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.5	-5.5	164.4	0	0	0	0	0	116.3	T420	T420-G422 PolarHBondContact O-N 3.29Å
423	V	52.6	Low	69.9	Low	53 Å²	53	89 Å²	89	32%	0.321	50%	0.503	S	S	.	.			trans	-102.5	102.3	173.9	-171.7	0	0	0	0	107.1	L212 L215 E425	L212-V423 HydrophobicContact CD1-CG2 4.49Å; L215-V423 HydrophobicContact CB-CG1 4.41Å; L215-V423 HydrophobicContact CD1-CG1 4.42Å; V423-E425 PolarHBondContact O-N 3.01Å
424	A	38.2	Very low	67.9	Low	86 Å²	86	93.6 Å²	93.6	71%	0.711	53%	0.533	S	S	*	.			trans	-57.9	125.9	173.1	0	0	0	0	0	108.7
425	E	39.8	Very low	65.8	Low	123 Å²	123	91.3 Å²	91.3	58%	0.575	53%	0.53	S	S	*	.			trans	-66.2	134.8	164.7	-70.1	-173.6	151	0	0	108.1	R211 V423	R211-E425 IonicContact CZ-OE1 3.06Å; R211-E425 IonicContact NE-OE1 2.73Å; R211-E425 IonicContact NH2-OE1 2.65Å; R211-E425 PolarHBondContact NH2-OE1 2.65Å; R211-E425 IonicContact NH2-OE2 3.88Å; V423-E425 PolarHBondContact O-N 3.01Å
426	P	47	Very low	63.2	Low	172 Å²	172	94.9 Å²	94.9	100%	1.117	55%	0.546	S	S	*	.			trans	-66.7	0	178.3	26.7	-33.2	0	0	0	113.2

Retrieved 426 of 426 residues in 235 ms (Link to these results)

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