A0A087XJF3_POEFO Loading...

Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3B

AlphaFold DB , UniProt , Accession A0A087XJF3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 806 aa.

						>A0A087XJF3_POEFO|A0A087XJF3
MAEHHAASDGKHKASGNSGSSVHGNSRPGAGGGGGAGGKGGLSGGLTQPAGWQSLLSFSILFLACLAGFSSRLFAVIRFESIIHEFDPWFNYRSTHHLTTNGFYEFLNWFDERAWYPLGRIVGGTVYPGLMVTAGLIHYILNLLHVTVHIRDVCVFLAPVFSGLTAISTFLLTRELWNQGAGLLAACFIAIVPGYISRSVAGSFDNEGIAIFALQFTYYLWVKSVKTGSVFWTIGCCLSYFYMVSAWGGYVFIINLIPLHVFALLLMQRYSRRVYIAYSTFYIVGLILSMQVPFVGFQPIRTSEHMAAAGVFALLQAYAFLQYLKDRLTRQEFQTLFFLGISLAACIVFLTVIYLTYTGYIAPWSGRFYSLWDTGYAKIHIPIIASVSEHQPTTWVSFFFDLHILVCTFPAGLWFCIKNINDERVFVSLYAISAVYFAGVMVRLMLTLTPVVCMLSAVAFSSVFEHYMGDDTKREKPPAEDSSDEDDKRNSGNLYDKAGKVRKHVSEQEKAEEGLGPNIKSIVTMLMLMLLMMFAVHCTWVTSNAYSSPSVVLASYNHDGTRNILDDFREAYYWLRQNTDEHARVMSWWDYGYQIAGMANRTTLVDNNTWNNSHIALVGKAMSSNESAAYEIMRSLDVDYVLIIFGGVIGYSGDDINKFLWMVRIAEGEHPKDIRESDYFTPQGEFRVDKAGSPTLLNCLMYKMSYYRFGEMQLDFRTPPGFDRTRNAEIGNKDIKFKHLEEAFTSEHWLVRIYKVKKLENREALDHKLRSVVSRQKYTSKKTAKRKRGHIKNKLVLKKGKKLPKK
					

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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	35.2	Very low	30.6	Very low	240 Å²	240	136.4 Å²	136.4	100%	1.182	79%	0.788	S	S	*	*				0	91.4	0	-77.2	171.8	171	0	0	105.5
2	A	30.8	Very low	30.5	Very low	87 Å²	87	137.4 Å²	137.4	72%	0.719	78%	0.78	S	S	*	*				54.9	123.7	78.3	0	0	0	0	0	109.2
3	E	30.9	Very low	30.3	Very low	172 Å²	172	141.6 Å²	141.6	80%	0.804	78%	0.784	S	S	*	*			cis	-176.8	134.2	33	-116	161.5	-171.2	0	0	105.4
4	H	33.7	Very low	30.1	Very low	146 Å²	146	138.1 Å²	138.1	68%	0.676	78%	0.783	S	S	*	*				90.1	128.4	87.5	-94.7	-79.6	0	0	0	118.4
5	H	32.8	Very low	30	Very low	168 Å²	168	137.3 Å²	137.3	78%	0.778	79%	0.789	S	S	*	*			trans	70.7	152.6	140.9	-73.3	-40.4	0	0	0	120.2
6	A	29.1	Very low	29.8	Very low	83 Å²	83	133.3 Å²	133.3	69%	0.686	79%	0.788	S	S	*	*			cis	-167	141.9	2.2	0	0	0	0	0	106.3
7	A	29.2	Very low	29.7	Very low	99 Å²	99	135.2 Å²	135.2	82%	0.818	79%	0.794	S	S	*	*				65.1	139.1	85.8	0	0	0	0	0	118.5
8	S	29	Very low	29.6	Very low	106 Å²	106	134.2 Å²	134.2	74%	0.741	80%	0.795	S	S	*	*			trans	97.3	138.2	173.9	112.3	0	0	0	0	115
9	D	28.3	Very low	29.5	Very low	152 Å²	152	130.7 Å²	130.7	81%	0.813	79%	0.789	S	S	*	*			cis	-150.1	155.8	21.6	-97.6	-51.4	0	0	0	111.9
10	G	27.1	Very low	29.4	Very low	64 Å²	64	129.8 Å²	129.8	66%	0.66	79%	0.789	S	S	*	*			trans	-104.2	165.3	170.8	0	0	0	0	0	113.2
11	K	30.3	Very low	29.2	Very low	183 Å²	183	129 Å²	129	80%	0.796	79%	0.79	S	S	*	*				165.4	149.2	125	-99.1	176.8	173.6	177.8	0	114.6
12	H	29.4	Very low	28.9	Very low	149 Å²	149	122.8 Å²	122.8	69%	0.69	77%	0.765	S	S	*	*			trans	75.8	139.1	155.7	-66.8	-51.1	0	0	0	117.3
13	K	28.4	Very low	28.8	Very low	192 Å²	192	127.7 Å²	127.7	84%	0.835	77%	0.772	S	S	*	*			cis	-161.7	156.5	13.2	-126.1	169	-174.9	-179.7	0	109.1
14	A	27.1	Very low	28.7	Very low	93 Å²	93	122.7 Å²	122.7	77%	0.769	77%	0.767	S	S	*	*			trans	-74.3	158	-179.8	0	0	0	0	0	114.4
15	S	29	Very low	28.3	Very low	125 Å²	125	123.9 Å²	123.9	87%	0.874	78%	0.779	S	S	*	*				162.5	141	107.5	64.4	0	0	0	0	114.6
16	G	26.9	Very low	28	Very low	74 Å²	74	121.2 Å²	121.2	76%	0.763	78%	0.779	S	S	*	*			trans	102.1	92.6	154.6	0	0	0	0	0	114.6
17	N	27.1	Very low	27.9	Very low	166 Å²	166	128.5 Å²	128.5	89%	0.888	79%	0.789	S	S	*	*			cis	76.8	106	49	-151.5	37.4	0	0	0	115.2
18	S	28.5	Very low	28.4	Very low	117 Å²	117	130 Å²	130	82%	0.818	79%	0.79	S	S	*	*			trans	154.3	114.9	145.6	60.4	0	0	0	0	107.1
19	G	27.1	Very low	28.3	Very low	67 Å²	67	128.7 Å²	128.7	69%	0.691	79%	0.793	S	S	*	*			cis	131.7	96.7	36.6	0	0	0	0	0	104.6
20	S	27.4	Very low	28.2	Very low	112 Å²	112	126.8 Å²	126.8	78%	0.783	80%	0.799	S	S	*	*				70.8	112.7	83.7	71.1	0	0	0	0	115.5
21	S	26.7	Very low	28.2	Very low	114 Å²	114	127.5 Å²	127.5	80%	0.797	81%	0.806	S	S	*	*			trans	-168.4	91.4	146.6	56	0	0	0	0	107.3
22	V	28.6	Very low	28.1	Very low	110 Å²	110	122.8 Å²	122.8	67%	0.667	81%	0.81	S	S	*	*				59.7	105.2	70	-172	0	0	0	0	113.7
23	H	27.8	Very low	28.2	Very low	189 Å²	189	119.7 Å²	119.7	88%	0.875	82%	0.818	S	S	*	*				177.2	136.1	119.5	-92.6	-56.8	0	0	0	107.1
24	G	28.8	Very low	28.2	Very low	68 Å²	68	114.6 Å²	114.6	70%	0.701	82%	0.82	S	S	*	*			cis	128.8	101.2	29.9	0	0	0	0	0	105.5
25	N	24.8	Very low	28.2	Very low	170 Å²	170	113.9 Å²	113.9	91%	0.909	82%	0.821	S	S	*	*			trans	-89.8	124.2	-173.3	-155.7	17.7	0	0	0	109.8
26	S	28.1	Very low	28.3	Very low	113 Å²	113	113 Å²	113	79%	0.79	82%	0.822	S	S	*	*			trans	-156.1	111.2	165	48.6	0	0	0	0	111.3
27	R	25.9	Very low	28.3	Very low	236 Å²	236	113 Å²	113	89%	0.891	82%	0.822	S	S	*	*			trans	-62.5	160.4	154.7	-88.6	179.1	174	177.6	-1.7	109.4
28	P	39.5	Very low	28.5	Very low	130 Å²	130	109.1 Å²	109.1	84%	0.844	82%	0.821	S	S	*	*			cis	-149.8	178.1	44.7	38.3	-16	0	0	0	116.4
29	G	27	Very low	28.6	Very low	78 Å²	78	113.4 Å²	113.4	80%	0.804	83%	0.825	S	S	*	*			trans	139.6	122.8	161	0	0	0	0	0	114.9
30	A	27.8	Very low	28.8	Very low	112 Å²	112	113.7 Å²	113.7	93%	0.926	83%	0.828	S	S	*	*			trans	-76.4	153.7	-176.4	0	0	0	0	0	113.8
31	G	26.8	Very low	29	Very low	79 Å²	79	111.9 Å²	111.9	81%	0.814	83%	0.827	S	S	*	*			trans	128.7	109.8	152.2	0	0	0	0	0	116.1
32	G	27.2	Very low	29.4	Very low	85 Å²	85	115.1 Å²	115.1	88%	0.876	83%	0.834	S	S	*	*			trans	76.2	121.4	164.4	0	0	0	0	0	113.8
33	G	31.7	Very low	29.6	Very low	84 Å²	84	114.8 Å²	114.8	87%	0.866	84%	0.837	S	S	*	*			cis	115.2	84.6	43.6	0	0	0	0	0	107.5
34	G	29.5	Very low	29.9	Very low	84 Å²	84	108.3 Å²	108.3	87%	0.866	82%	0.821	S	S	*	*			trans	103.2	116.1	167.1	0	0	0	0	0	116
35	G	26.3	Very low	30.3	Very low	78 Å²	78	108.3 Å²	108.3	80%	0.804	82%	0.821	S	S	*	*			trans	128.5	118.7	156.1	0	0	0	0	0	116.7
36	A	31.3	Very low	31.1	Very low	107 Å²	107	106 Å²	106	88%	0.884	81%	0.808	S	S	*	*			trans	72.1	71.5	155.1	0	0	0	0	0	119
37	G	26.7	Very low	32.2	Very low	74 Å²	74	106 Å²	106	76%	0.763	80%	0.803	S	S	*	*			trans	-85.8	114.6	150.7	0	0	0	0	0	110.2	K39	G37-K39 PolarHBondContact O-N 3.35Å; G37-K39 VanDerWaalsContact O-N 3.1Å
38	G	31.8	Very low	33.3	Very low	84 Å²	84	101 Å²	101	87%	0.866	79%	0.79	S	S	*	*			trans	-58.7	109.2	166.4	0	0	0	0	0	110.6	G40	G38-G40 PolarHBondContact O-N 3.1Å
39	K	30.4	Very low	34.4	Very low	207 Å²	207	99.8 Å²	99.8	90%	0.9	78%	0.782	S	S	*	*			trans	-83.5	95.3	165.4	-82.7	-176.5	174.5	178.8	0	108.5	G37 G41	G37-K39 PolarHBondContact O-N 3.35Å; G37-K39 VanDerWaalsContact O-N 3.1Å; K39-G41 PolarHBondContact O-N 3.27Å
40	G	30	Very low	36.3	Very low	74 Å²	74	99.2 Å²	99.2	76%	0.763	77%	0.77	S	S	*	*			trans	-58.9	117.3	155	0	0	0	0	0	108.5	G38 L42	G38-G40 PolarHBondContact O-N 3.1Å; G40-L42 PolarHBondContact O-N 3.24Å
41	G	32.4	Very low	39	Very low	73 Å²	73	95.9 Å²	95.9	75%	0.753	75%	0.746	S	S	*	*			trans	-68.2	110.7	-172.9	0	0	0	0	0	113	K39	K39-G41 PolarHBondContact O-N 3.27Å
42	L	35.3	Very low	41.9	Very low	182 Å²	182	98.4 Å²	98.4	95%	0.953	73%	0.731	S	S	*	*	S	Bend	trans	-116.7	15.7	158.9	-95.9	148.9	0	0	0	111.7	G40	G40-L42 PolarHBondContact O-N 3.24Å
43	S	32.6	Very low	44.7	Very low	104 Å²	104	100.1 Å²	100.1	73%	0.727	72%	0.716	S	S	*	*	S	Bend	trans	-113.6	14.6	-177.1	177.8	0	0	0	0	113.2
44	G	34.1	Very low	47.4	Very low	52 Å²	52	100 Å²	100	54%	0.536	70%	0.703	S	S	.	*			trans	-96.8	-7.3	-175.9	0	0	0	0	0	115.8
45	G	36.5	Very low	50.4	Low	68 Å²	68	100.4 Å²	100.4	70%	0.701	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-82.6	-19.3	-174.2	0	0	0	0	0	115.3
46	L	41.3	Very low	53.6	Low	123 Å²	123	101.8 Å²	101.8	64%	0.644	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-86.4	-5	-173.5	-81.7	155.3	0	0	0	114.2	W52	L46-W52 HydrophobicContact CD2-CH2 3.94Å; L46-W52 HydrophobicContact CD2-CZ2 3.55Å; L46-W52 PolarHBondContact O-NE1 3.31Å
47	T	51.2	Low	56.4	Low	112 Å²	112	97.5 Å²	97.5	69%	0.687	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-110.2	4.8	-174.9	52.9	0	0	0	0	114.2	P49	T47-P49 WeakPolarHBondContact O-CD 3.42Å
48	Q	48.9	Very low	59.6	Low	130 Å²	130	100.6 Å²	100.6	61%	0.607	63%	0.629	S	S	*	*			trans	-84.6	111.5	174	-76.3	-169	-12.8	0	0	110.8	A50 G51	Q48-A50 PolarHBondContact O-N 3.41Å; Q48-A50 VanDerWaalsContact O-N 3.13Å; Q48-G51 PolarHBondContact O-N 3.24Å
49	P	64.2	Low	62.6	Low	106 Å²	106	99 Å²	99	69%	0.688	60%	0.604	S	S	*	*	H	α-helix	trans	-59.6	-26.6	179.2	21.7	-31.8	0	0	0	112.9	T47 W52 Q53	T47-P49 WeakPolarHBondContact O-CD 3.42Å; P49-W52 PolarHBondContact O-N 3.09Å; P49-Q53 PolarHBondContact O-N 3.36Å; P49-Q53 VanDerWaalsContact O-N 3.1Å
50	A	66.8	Low	65.6	Low	66 Å²	66	91.5 Å²	91.5	55%	0.545	57%	0.573	S	S	.	*	H	α-helix	trans	-65.3	-35	174.5	0	0	0	0	0	113.2	Q48 S54	Q48-A50 PolarHBondContact O-N 3.41Å; Q48-A50 VanDerWaalsContact O-N 3.13Å; A50-S54 PolarHBondContact O-N 3.5Å; A50-S54 VanDerWaalsContact O-N 3.09Å
51	G	83.8	Confident	68.7	Low	41 Å²	41	89.2 Å²	89.2	42%	0.423	54%	0.544	S	S	.	.	H	α-helix	trans	-67.3	-43.8	177.5	0	0	0	0	0	111.9	Q48 S54 L55	Q48-G51 PolarHBondContact O-N 3.24Å; G51-S54 PolarHBondContact O-N 3.38Å; G51-L55 WeakPolarHBondContact O-CB 3.43Å; G51-L55 PolarHBondContact O-N 3.21Å
52	W	88	Confident	71.6	Confident	133 Å²	133	91.4 Å²	91.4	50%	0.504	53%	0.533	S	S	.	.	H	α-helix	trans	-65.4	-39.2	176.2	-66.6	106.3	0	0	0	112.9	L46 P49 L55 L56	L46-W52 HydrophobicContact CD2-CH2 3.94Å; L46-W52 HydrophobicContact CD2-CZ2 3.55Å; L46-W52 PolarHBondContact O-NE1 3.31Å; P49-W52 PolarHBondContact O-N 3.09Å; W52-L55 HydrophobicContact CE3-CD2 4.09Å; W52-L55 HydrophobicContact CZ3-CD2 4.12Å; W52-L55 PolarHBondContact O-N 2.99Å; W52-L56 WeakPolarHBondContact O-CB 3.44Å; W52-L56 PolarHBondContact O-N 2.83Å
53	Q	85.1	Confident	74.5	Confident	120 Å²	120	87.8 Å²	87.8	56%	0.561	51%	0.514	S	S	*	.	H	α-helix	trans	-64.3	-41.8	175.7	-175.1	177.3	-10.8	0	0	111.6	P49 L56 S57	P49-Q53 PolarHBondContact O-N 3.36Å; P49-Q53 VanDerWaalsContact O-N 3.1Å; Q53-L56 PolarHBondContact O-N 3.16Å; Q53-S57 WeakPolarHBondContact O-CB 3.47Å; Q53-S57 PolarHBondContact O-N 3.25Å
54	S	88.6	Confident	77.4	Confident	83 Å²	83	83.1 Å²	83.1	58%	0.58	48%	0.482	S	S	*	.	H	α-helix	trans	-66.2	-41.4	175.6	-170.9	0	0	0	0	112	A50 G51 S57 F58	A50-S54 PolarHBondContact O-N 3.5Å; A50-S54 VanDerWaalsContact O-N 3.09Å; G51-S54 PolarHBondContact O-N 3.38Å; S54-S57 PolarHBondContact O-N 2.92Å; S54-F58 WeakPolarHBondContact O-CB 3.38Å; S54-F58 PolarHBondContact O-N 3.36Å
55	L	93.1	Very high	80.3	Confident	91 Å²	91	82 Å²	82	48%	0.476	47%	0.465	S	S	.	.	H	α-helix	trans	-62.5	-43.1	175.8	-177.2	65.6	0	0	0	111.3	G51 W52 F58 S59	G51-L55 WeakPolarHBondContact O-CB 3.43Å; G51-L55 PolarHBondContact O-N 3.21Å; W52-L55 HydrophobicContact CE3-CD2 4.09Å; W52-L55 HydrophobicContact CZ3-CD2 4.12Å; W52-L55 PolarHBondContact O-N 2.99Å; L55-F58 PolarHBondContact O-N 3.32Å; L55-S59 WeakPolarHBondContact O-CB 3.2Å; L55-S59 PolarHBondContact O-N 3.13Å; L55-S59 PolarHBondContact O-OG 3.34Å
56	L	92.6	Very high	83.1	Confident	108 Å²	108	83.4 Å²	83.4	57%	0.565	46%	0.456	S	S	*	.	H	α-helix	trans	-62.6	-45.3	176.7	-177.2	66.1	0	0	0	111.3	W52 Q53 F58 S59 I60	W52-L56 WeakPolarHBondContact O-CB 3.44Å; W52-L56 PolarHBondContact O-N 2.83Å; Q53-L56 PolarHBondContact O-N 3.16Å; L56-F58 VanDerWaalsContact C-N 3.33Å; L56-F58 PolarHBondContact O-N 3.31Å; L56-S59 PolarHBondContact O-N 3.34Å; L56-I60 HydrophobicContact CD1-CD1 4.05Å; L56-I60 HydrophobicContact CD1-CG1 4.36Å; L56-I60 HydrophobicContact CG-CD1 3.88Å; L56-I60 VanDerWaalsContact O-CG1 3.32Å; L56-I60 WeakPolarHBondContact O-CG1 3.48Å; L56-I60 PolarHBondContact O-N 3.31Å
57	S	91.3	Very high	85.6	Confident	16 Å²	16	79.6 Å²	79.6	11%	0.112	44%	0.443	C	S	.	.	H	α-helix	trans	-59.4	-43.5	176.2	-176.4	0	0	0	0	111.8	Q53 S54 L61	Q53-S57 WeakPolarHBondContact O-CB 3.47Å; Q53-S57 PolarHBondContact O-N 3.25Å; S54-S57 PolarHBondContact O-N 2.92Å; S57-L61 VanDerWaalsContact O-CG 3.31Å; S57-L61 WeakPolarHBondContact O-CG 3.37Å; S57-L61 PolarHBondContact O-N 3.45Å; S57-L61 VanDerWaalsContact O-N 3.13Å
58	F	93.6	Very high	87.6	Confident	139 Å²	139	74.3 Å²	74.3	61%	0.61	41%	0.41	S	S	*	.	H	α-helix	trans	-65.1	-46.3	177.6	179.4	-97.8	0	0	0	111.8	S54 L55 L56 I60 L61 F62	S54-F58 WeakPolarHBondContact O-CB 3.38Å; S54-F58 PolarHBondContact O-N 3.36Å; L55-F58 PolarHBondContact O-N 3.32Å; L56-F58 VanDerWaalsContact C-N 3.33Å; L56-F58 PolarHBondContact O-N 3.31Å; F58-I60 PolarHBondContact O-N 3.38Å; F58-L61 PolarHBondContact O-N 2.99Å; F58-F62 WeakPolarHBondContact O-CB 3.48Å; F58-F62 PolarHBondContact O-N 2.92Å
59	S	94.4	Very high	89.8	Confident	50 Å²	50	71.6 Å²	71.6	35%	0.35	40%	0.397	S	S	.	.	H	α-helix	trans	-60.6	-43.3	178	-65.5	0	0	0	0	112.3	L55 L56 F62 L63	L55-S59 WeakPolarHBondContact O-CB 3.2Å; L55-S59 PolarHBondContact O-N 3.13Å; L55-S59 PolarHBondContact O-OG 3.34Å; L56-S59 PolarHBondContact O-N 3.34Å; S59-F62 PolarHBondContact O-N 3.29Å; S59-L63 WeakPolarHBondContact O-CB 3.49Å; S59-L63 VanDerWaalsContact O-CG 3.3Å; S59-L63 WeakPolarHBondContact O-CG 3.42Å; S59-L63 PolarHBondContact O-N 3.4Å
60	I	94.4	Very high	91.2	Very high	50 Å²	50	70 Å²	70	26%	0.256	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-43.5	177.5	-69.3	169.2	0	0	0	110.9	L56 F58 F62 L63 A64 L183	L56-I60 HydrophobicContact CD1-CD1 4.05Å; L56-I60 HydrophobicContact CD1-CG1 4.36Å; L56-I60 HydrophobicContact CG-CD1 3.88Å; L56-I60 VanDerWaalsContact O-CG1 3.32Å; L56-I60 WeakPolarHBondContact O-CG1 3.48Å; L56-I60 PolarHBondContact O-N 3.31Å; F58-I60 PolarHBondContact O-N 3.38Å; I60-F62 VanDerWaalsContact C-N 3.35Å; I60-F62 PolarHBondContact O-N 2.98Å; I60-L63 PolarHBondContact O-N 2.98Å; I60-A64 WeakPolarHBondContact O-CB 3.22Å; I60-A64 PolarHBondContact O-N 3.38Å; I60-L183 HydrophobicContact CB-CD2 4.3Å; I60-L183 HydrophobicContact CD1-CD1 4.18Å; I60-L183 HydrophobicContact CG2-CB 4.37Å; I60-L183 HydrophobicContact CG2-CD2 4.08Å
61	L	93.7	Very high	92.4	Very high	26 Å²	26	67.4 Å²	67.4	14%	0.136	37%	0.366	C	S	.	.	H	α-helix	trans	-64.1	-40.5	177.3	-72.4	172.8	0	0	0	112.1	S57 F58 A64 C65 F170 L183 A186	S57-L61 VanDerWaalsContact O-CG 3.31Å; S57-L61 WeakPolarHBondContact O-CG 3.37Å; S57-L61 PolarHBondContact O-N 3.45Å; S57-L61 VanDerWaalsContact O-N 3.13Å; F58-L61 PolarHBondContact O-N 2.99Å; L61-A64 PolarHBondContact O-N 3.39Å; L61-C65 PolarHBondContact O-N 2.92Å; L61-C65 PolarHBondContact O-SG 3.45Å; L61-F170 HydrophobicContact CD1-CD1 3.95Å; L61-F170 HydrophobicContact CD1-CD2 4.41Å; L61-F170 HydrophobicContact CD1-CE1 3.96Å; L61-F170 HydrophobicContact CD1-CE2 4.44Å; L61-F170 HydrophobicContact CD1-CG 4.19Å; L61-F170 HydrophobicContact CD1-CZ 4.21Å; L61-F170 HydrophobicContact CD2-CB 3.85Å; L61-F170 HydrophobicContact CD2-CD1 4.35Å; L61-F170 HydrophobicContact CD2-CD2 4.01Å; L61-F170 HydrophobicContact CD2-CG 3.82Å; L61-L183 HydrophobicContact CD1-CD2 4.42Å; L61-L183 HydrophobicContact CD2-CD2 4.02Å; L61-L183 HydrophobicContact CG-CD2 3.82Å; L61-A186 HydrophobicContact CD2-CB 3.88Å
62	F	95.2	Very high	92.9	Very high	120 Å²	120	65.5 Å²	65.5	53%	0.526	35%	0.346	S	S	.	.	H	α-helix	trans	-62.4	-45.7	175.2	-180	-101.7	0	0	0	111.5	F58 S59 I60 A64 C65 L66	F58-F62 WeakPolarHBondContact O-CB 3.48Å; F58-F62 PolarHBondContact O-N 2.92Å; S59-F62 PolarHBondContact O-N 3.29Å; I60-F62 VanDerWaalsContact C-N 3.35Å; I60-F62 PolarHBondContact O-N 2.98Å; F62-A64 VanDerWaalsContact C-N 3.35Å; F62-A64 PolarHBondContact O-N 3.38Å; F62-C65 PolarHBondContact O-N 2.98Å; F62-L66 WeakPolarHBondContact O-CB 3.43Å; F62-L66 PolarHBondContact O-N 2.88Å
63	L	95.4	Very high	93.2	Very high	105 Å²	105	60.6 Å²	60.6	55%	0.55	33%	0.329	S	S	.	.	H	α-helix	trans	-64.2	-37.7	175.9	-70.9	174.4	0	0	0	112.4	S59 I60 L66 A67	S59-L63 WeakPolarHBondContact O-CB 3.49Å; S59-L63 VanDerWaalsContact O-CG 3.3Å; S59-L63 WeakPolarHBondContact O-CG 3.42Å; S59-L63 PolarHBondContact O-N 3.4Å; I60-L63 PolarHBondContact O-N 2.98Å; L63-L66 PolarHBondContact O-N 3.04Å; L63-A67 VanDerWaalsContact O-CB 3.28Å; L63-A67 WeakPolarHBondContact O-CB 3.47Å; L63-A67 PolarHBondContact O-N 2.96Å
64	A	94.3	Very high	93.5	Very high	7 Å²	7	57.4 Å²	57.4	6%	0.058	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-42.3	174.6	0	0	0	0	0	111.4	I60 L61 F62 A67 G68 A190	I60-A64 WeakPolarHBondContact O-CB 3.22Å; I60-A64 PolarHBondContact O-N 3.38Å; L61-A64 PolarHBondContact O-N 3.39Å; F62-A64 VanDerWaalsContact C-N 3.35Å; F62-A64 PolarHBondContact O-N 3.38Å; A64-A67 PolarHBondContact O-N 2.91Å; A64-G68 PolarHBondContact O-N 3.09Å; A64-A190 HydrophobicContact CB-CB 4.48Å; A64-A190 WeakPolarHBondContact O-CB 3.45Å
65	C	94.4	Very high	93.4	Very high	28 Å²	28	53.5 Å²	53.5	19%	0.189	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-44.1	174.4	-65.6	0	0	0	0	111.5	L61 F62 G68 F69	L61-C65 PolarHBondContact O-N 2.92Å; L61-C65 PolarHBondContact O-SG 3.45Å; F62-C65 PolarHBondContact O-N 2.98Å; C65-G68 PolarHBondContact O-N 2.97Å; C65-F69 WeakPolarHBondContact O-CB 3.45Å; C65-F69 PolarHBondContact O-N 3.38Å
66	L	95.4	Very high	93.2	Very high	98 Å²	98	50.3 Å²	50.3	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-62.8	-44.7	177.8	-167.2	88.9	0	0	0	111.5	F62 L63 F69 S70	F62-L66 WeakPolarHBondContact O-CB 3.43Å; F62-L66 PolarHBondContact O-N 2.88Å; L63-L66 PolarHBondContact O-N 3.04Å; L66-F69 PolarHBondContact O-N 3.1Å; L66-S70 VanDerWaalsContact O-CB 3.28Å; L66-S70 WeakPolarHBondContact O-CB 3.49Å; L66-S70 PolarHBondContact O-N 3.26Å
67	A	93.7	Very high	93.1	Very high	43 Å²	43	51.2 Å²	51.2	36%	0.355	28%	0.275	S	S	.	.	H	α-helix	trans	-64.2	-42.9	176.9	0	0	0	0	0	111.4	L63 A64 S70 S71 I191	L63-A67 VanDerWaalsContact O-CB 3.28Å; L63-A67 WeakPolarHBondContact O-CB 3.47Å; L63-A67 PolarHBondContact O-N 2.96Å; A64-A67 PolarHBondContact O-N 2.91Å; A67-S70 PolarHBondContact O-N 3.31Å; A67-S71 VanDerWaalsContact O-CB 3.27Å; A67-S71 WeakPolarHBondContact O-CB 3.29Å; A67-S71 PolarHBondContact O-N 3.37Å; A67-I191 HydrophobicContact CB-CG2 4.41Å
68	G	92.8	Very high	92.8	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-61.6	-42.6	175.2	0	0	0	0	0	112.6	A64 C65 R72 A190	A64-G68 PolarHBondContact O-N 3.09Å; C65-G68 PolarHBondContact O-N 2.97Å; G68-R72 WeakPolarHBondContact O-CD 3.34Å; G68-R72 PolarHBondContact O-NH1 2.98Å; G68-A190 WeakPolarHBondContact CA-O 3.39Å
69	F	94.3	Very high	92.4	Very high	73 Å²	73	49.7 Å²	49.7	32%	0.32	26%	0.264	S	S	.	.	H	α-helix	trans	-65.3	-51.5	175.2	-173.4	-91.1	0	0	0	111.3	C65 L66 S71 R72 L73 P159 V160	C65-F69 WeakPolarHBondContact O-CB 3.45Å; C65-F69 PolarHBondContact O-N 3.38Å; L66-F69 PolarHBondContact O-N 3.1Å; F69-S71 PolarHBondContact O-N 3.38Å; F69-R72 PolarHBondContact O-N 3.05Å; F69-L73 HydrophobicContact CD1-CD1 4.04Å; F69-L73 HydrophobicContact CE1-CD1 3.79Å; F69-L73 HydrophobicContact CE1-CD2 4.33Å; F69-L73 HydrophobicContact CE1-CG 4.43Å; F69-P159 HydrophobicContact CD2-CB 3.42Å; F69-P159 VanDerWaalsContact CD2-CB 3.42Å; F69-P159 HydrophobicContact CE2-CB 3.63Å; F69-P159 HydrophobicContact CG-CB 4.21Å; F69-V160 HydrophobicContact CE2-CG2 4.07Å
70	S	94.3	Very high	92	Very high	71 Å²	71	52.2 Å²	52.2	50%	0.497	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-38.9	-176.1	-172.5	0	0	0	0	113.2	L66 A67 R72 L73	L66-S70 VanDerWaalsContact O-CB 3.28Å; L66-S70 WeakPolarHBondContact O-CB 3.49Å; L66-S70 PolarHBondContact O-N 3.26Å; A67-S70 PolarHBondContact O-N 3.31Å; S70-R72 PolarHBondContact O-N 3.36Å; S70-L73 PolarHBondContact O-N 2.77Å
71	S	92.6	Very high	91.8	Very high	13 Å²	13	51.6 Å²	51.6	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-22	179.9	-170.6	0	0	0	0	112.6	A67 F69 F74 T542	A67-S71 VanDerWaalsContact O-CB 3.27Å; A67-S71 WeakPolarHBondContact O-CB 3.29Å; A67-S71 PolarHBondContact O-N 3.37Å; F69-S71 PolarHBondContact O-N 3.38Å; S71-F74 WeakPolarHBondContact O-CD2 3.4Å; S71-F74 WeakPolarHBondContact O-CE2 3.44Å; S71-T542 WeakPolarHBondContact O-CG2 3.45Å
72	R	93.8	Very high	91.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.6	-178.3	-73	166.7	171.1	76	4.2	114.3	G68 F69 S70 P159 S162 A190 I196 S199 V200 A201	G68-R72 WeakPolarHBondContact O-CD 3.34Å; G68-R72 PolarHBondContact O-NH1 2.98Å; F69-R72 PolarHBondContact O-N 3.05Å; S70-R72 PolarHBondContact O-N 3.36Å; R72-P159 HydrophobicContact CB-CB 4.4Å; R72-P159 HydrophobicContact CB-CG 4.05Å; R72-S162 VanDerWaalsContact CZ-CB 3.5Å; R72-S162 PolarHBondContact NE-OG 3.34Å; R72-S162 PolarHBondContact NH1-OG 3.41Å; R72-S162 PolarHBondContact NH2-OG 2.92Å; R72-A190 PolarHBondContact NH1-O 3.03Å; R72-I196 HydrophobicContact CG-CG1 4.49Å; R72-I196 HydrophobicContact CG-CG2 4.33Å; R72-S199 WeakPolarHBondContact CD-O 3.47Å; R72-S199 PolarHBondContact NE-O 3.49Å; R72-S199 PolarHBondContact NE-OG 3.35Å; R72-S199 PolarHBondContact NH2-OG 2.93Å; R72-S199 VanDerWaalsContact NH2-OG 3.14Å; R72-V200 WeakPolarHBondContact O-CG2 3.26Å; R72-A201 VanDerWaalsContact O-CB 3.26Å; R72-A201 WeakPolarHBondContact O-CB 3.41Å; R72-A201 PolarHBondContact O-N 3.5Å
73	L	93.8	Very high	91.3	Very high	30 Å²	30	45.6 Å²	45.6	16%	0.157	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-3.8	-173.5	-62.1	178.2	0	0	0	114.4	F69 S70 A75 V76 I77 F156 A201	F69-L73 HydrophobicContact CD1-CD1 4.04Å; F69-L73 HydrophobicContact CE1-CD1 3.79Å; F69-L73 HydrophobicContact CE1-CD2 4.33Å; F69-L73 HydrophobicContact CE1-CG 4.43Å; S70-L73 PolarHBondContact O-N 2.77Å; L73-A75 VanDerWaalsContact C-N 3.27Å; L73-A75 PolarHBondContact O-N 3.3Å; L73-V76 PolarHBondContact O-N 3.02Å; L73-V76 VanDerWaalsContact O-N 3.09Å; L73-I77 HydrophobicContact CB-CD1 3.81Å; L73-I77 HydrophobicContact CB-CG1 4.21Å; L73-I77 VanDerWaalsContact O-CG1 3.3Å; L73-I77 WeakPolarHBondContact O-CG1 3.49Å; L73-I77 PolarHBondContact O-N 3.34Å; L73-F156 HydrophobicContact CD2-CD1 4.07Å; L73-F156 HydrophobicContact CD2-CE1 3.77Å; L73-A201 HydrophobicContact CD2-CB 3.97Å
74	F	91.1	Very high	90.8	Very high	53 Å²	53	41 Å²	41	23%	0.232	22%	0.219	C	C	.	.	H	α-helix	trans	-55.3	-39.2	-175.3	-72.5	-70.2	0	0	0	113.8	S71 R78 T539 T542	S71-F74 WeakPolarHBondContact O-CD2 3.4Å; S71-F74 WeakPolarHBondContact O-CE2 3.44Å; F74-R78 WeakPolarHBondContact O-CB 3.28Å; F74-R78 VanDerWaalsContact O-CG 3.25Å; F74-R78 WeakPolarHBondContact O-CG 3.43Å; F74-R78 PolarHBondContact O-N 3.37Å; F74-R78 VanDerWaalsContact O-N 3.11Å; F74-T539 HydrophobicContact CZ-CG2 4.16Å; F74-T542 HydrophobicContact CD2-CG2 3.8Å; F74-T542 HydrophobicContact CE2-CG2 4.13Å
75	A	87.2	Confident	90.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-44.9	178.3	0	0	0	0	0	111.6	L73 R78 F79 V200	L73-A75 VanDerWaalsContact C-N 3.27Å; L73-A75 PolarHBondContact O-N 3.3Å; A75-R78 PolarHBondContact O-N 2.96Å; A75-F79 WeakPolarHBondContact O-CB 3.38Å; A75-F79 WeakPolarHBondContact O-CD2 3.3Å; A75-F79 PolarHBondContact O-N 3.4Å; A75-V200 HydrophobicContact CB-CG2 4.17Å
76	V	89.4	Confident	89.9	Confident	25 Å²	25	44.9 Å²	44.9	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-67.3	-38.4	179.4	177.6	0	0	0	0	111.8	L73 V155 F156 A201	L73-V76 PolarHBondContact O-N 3.02Å; L73-V76 VanDerWaalsContact O-N 3.09Å; V76-V155 HydrophobicContact CG2-CG1 4.09Å; V76-F156 HydrophobicContact CG1-CE1 4.34Å; V76-F156 HydrophobicContact CG1-CZ 4.2Å; V76-A201 HydrophobicContact CG2-CB 3.62Å
77	I	89.4	Confident	89.5	Confident	126 Å²	126	42.4 Å²	42.4	65%	0.646	22%	0.22	S	C	*	.	H	α-helix	trans	-69	-38.6	179.4	-66.4	166	0	0	0	111.4	L73	L73-I77 HydrophobicContact CB-CD1 3.81Å; L73-I77 HydrophobicContact CB-CG1 4.21Å; L73-I77 VanDerWaalsContact O-CG1 3.3Å; L73-I77 WeakPolarHBondContact O-CG1 3.49Å; L73-I77 PolarHBondContact O-N 3.34Å
78	R	85.1	Confident	89.5	Confident	85 Å²	85	40.3 Å²	40.3	32%	0.321	20%	0.203	S	C	.	.	H	α-helix	trans	-83.4	-26.7	-176	-72.6	176.1	-178.7	174.7	2.6	114	F74 A75 S543 S547 R562	F74-R78 WeakPolarHBondContact O-CB 3.28Å; F74-R78 VanDerWaalsContact O-CG 3.25Å; F74-R78 WeakPolarHBondContact O-CG 3.43Å; F74-R78 PolarHBondContact O-N 3.37Å; F74-R78 VanDerWaalsContact O-N 3.11Å; A75-R78 PolarHBondContact O-N 2.96Å; R78-S543 VanDerWaalsContact CZ-O 3.32Å; R78-S543 PolarHBondContact NH1-O 3.45Å; R78-S543 PolarHBondContact NH2-O 3.22Å; R78-S543 PolarHBondContact NH2-OG 3.13Å; R78-S547 PolarHBondContact NH1-OG 2.66Å; R78-R562 PolarHBondContact O-NH1 3.49Å; R78-R562 PolarHBondContact O-NH2 3.03Å
79	F	85.6	Confident	89.5	Confident	39 Å²	39	41.6 Å²	41.6	17%	0.171	21%	0.207	C	C	.	.	S	Bend	trans	-124.6	-131.3	-175.8	-61.8	-98.4	0	0	0	108.4	A75 P549 V552 A554 R562	A75-F79 WeakPolarHBondContact O-CB 3.38Å; A75-F79 WeakPolarHBondContact O-CD2 3.3Å; A75-F79 PolarHBondContact O-N 3.4Å; F79-P549 HydrophobicContact CD1-CG 3.62Å; F79-P549 HydrophobicContact CD2-CG 3.76Å; F79-P549 HydrophobicContact CE1-CG 3.37Å; F79-P549 HydrophobicContact CE2-CG 3.6Å; F79-P549 HydrophobicContact CG-CG 3.77Å; F79-P549 HydrophobicContact CZ-CG 3.38Å; F79-V552 HydrophobicContact CD1-CG1 4.16Å; F79-V552 HydrophobicContact CE1-CG1 4.18Å; F79-A554 HydrophobicContact CE1-CB 4.18Å; F79-A554 HydrophobicContact CZ-CB 4.15Å; F79-R562 VanDerWaalsContact CG-NH2 3.33Å
80	E	87.1	Confident	89.5	Confident	102 Å²	102	38.5 Å²	38.5	48%	0.477	19%	0.194	S	C	.	.			trans	-119.4	155.6	179.5	-65.4	169.3	-161.5	0	0	109.2	I82 R569	E80-I82 HydrophobicContact CB-CG2 4.07Å; E80-I82 PolarHBondContact O-N 2.91Å; E80-R569 IonicContact OE1-NH1 2.68Å; E80-R569 IonicContact OE1-NH2 3.57Å; E80-R569 IonicContact OE2-CZ 3.27Å; E80-R569 IonicContact OE2-NH1 3.69Å; E80-R569 PolarHBondContact OE2-NH1 3.08Å; E80-R569 IonicContact OE2-NH2 2.83Å
81	S	88.5	Confident	89.5	Confident	37 Å²	37	35.5 Å²	35.5	26%	0.259	17%	0.172	S	C	.	.	S	Bend	trans	-74.1	75.3	171.8	59.5	0	0	0	0	110.6
82	I	89.5	Confident	89.6	Confident	19 Å²	19	36.7 Å²	36.7	10%	0.097	18%	0.175	C	C	.	.			trans	-122.5	167.9	176	65.5	166.3	0	0	0	110.6	E80 H84 G202 V551 V552	E80-I82 HydrophobicContact CB-CG2 4.07Å; E80-I82 PolarHBondContact O-N 2.91Å; I82-H84 PolarHBondContact O-CE1 2.85Å; I82-G202 WeakPolarHBondContact O-CA 3.25Å; I82-V551 HydrophobicContact CD1-CB 4.16Å; I82-V551 HydrophobicContact CD1-CG1 4.14Å; I82-V552 HydrophobicContact CD1-CG2 4.47Å
83	I	90.8	Very high	89.6	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	18%	0.182	C	C	.	.			trans	-77.6	136.9	174.9	-64.4	170.1	0	0	0	109.1	P88 W89 Y92 V155 G202	I83-P88 HydrophobicContact CG2-CB 3.38Å; I83-P88 HydrophobicContact CG2-CG 4.45Å; I83-W89 HydrophobicContact CB-CH2 4.43Å; I83-W89 HydrophobicContact CB-CZ2 4.01Å; I83-W89 HydrophobicContact CG2-CD2 4.49Å; I83-Y92 HydrophobicContact CD1-CD1 3.79Å; I83-Y92 HydrophobicContact CD1-CD2 3.51Å; I83-Y92 HydrophobicContact CD1-CE2 4.29Å; I83-Y92 HydrophobicContact CD1-CG 3.2Å; I83-V155 HydrophobicContact CG1-CG2 4.25Å; I83-G202 WeakPolarHBondContact CA-O 3.44Å
84	H	84.5	Confident	89.7	Confident	7 Å²	7	37.1 Å²	37.1	3%	0.032	17%	0.174	C	C	.	.			trans	-106.2	166.2	-179.8	-56.7	-36.5	0	0	0	111	I82 P88 G202 P549	I82-H84 PolarHBondContact O-CE1 2.85Å; H84-P88 WeakPolarHBondContact O-CG 3.2Å; H84-G202 PolarHBondContact N-O 3.44Å; H84-P549 WeakPolarHBondContact ND1-CB 3.44Å
85	E	84.7	Confident	89.9	Confident	63 Å²	63	34.6 Å²	34.6	29%	0.294	16%	0.163	S	C	.	.	S	Bend	trans	63.5	-173.3	-179	-55.5	-178.2	152.2	0	0	114.3	P88 W89 Q594	E85-P88 HydrophobicContact CB-CG 4.48Å; E85-W89 PolarHBondContact O-NE1 3.23Å; E85-Q594 PolarHBondContact O-NE2 2.85Å
86	F	84.3	Confident	90.2	Very high	54 Å²	54	38.4 Å²	38.4	24%	0.237	18%	0.181	C	C	.	.	S	Bend	trans	-93.2	-47.7	-176.8	-56.4	-79.2	0	0	0	111.7	D590 Y591 Q594	F86-D590 WeakPolarHBondContact CD1-O 3.19Å; F86-Y591 HydrophobicContact CD1-CD1 4.26Å; F86-Y591 AromaticContact CE1-CD1 3.71Å; F86-Y591 HydrophobicContact CE1-CD1 3.71Å; F86-Y591 AromaticContact CE1-CE1 3.8Å; F86-Y591 HydrophobicContact CE1-CE1 3.8Å; F86-Y591 HydrophobicContact CZ-CE1 4.21Å; F86-Q594 HydrophobicContact CD1-CG 3.93Å
87	D	87.4	Confident	90.4	Very high	46 Å²	46	38.6 Å²	38.6	25%	0.246	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-45.2	-174.7	-71.8	-27.1	0	0	0	114.8	W89 F90 N607	D87-W89 PolarHBondContact O-N 3.38Å; D87-F90 PolarHBondContact O-N 2.72Å; D87-N607 PolarHBondContact OD1-ND2 3.37Å
88	P	92.4	Very high	90.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-18.3	-175.5	-31.7	42.3	0	0	0	115.7	I83 H84 E85 F90 N91 Y92 F204 D205	I83-P88 HydrophobicContact CG2-CB 3.38Å; I83-P88 HydrophobicContact CG2-CG 4.45Å; H84-P88 WeakPolarHBondContact O-CG 3.2Å; E85-P88 HydrophobicContact CB-CG 4.48Å; P88-F90 VanDerWaalsContact C-N 3.33Å; P88-F90 PolarHBondContact O-N 3.12Å; P88-N91 PolarHBondContact O-N 3.29Å; P88-Y92 WeakPolarHBondContact O-CB 3.47Å; P88-Y92 PolarHBondContact O-N 3.46Å; P88-F204 HydrophobicContact CB-CB 4.08Å; P88-F204 WeakPolarHBondContact CB-O 3.33Å; P88-D205 HydrophobicContact CG-CB 4.39Å
89	W	93.4	Very high	91	Very high	28 Å²	28	31.5 Å²	31.5	11%	0.106	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-36.9	178.6	-76.9	96.5	0	0	0	113	I83 E85 D87 Y92 R93 Q594 M598	I83-W89 HydrophobicContact CB-CH2 4.43Å; I83-W89 HydrophobicContact CB-CZ2 4.01Å; I83-W89 HydrophobicContact CG2-CD2 4.49Å; E85-W89 PolarHBondContact O-NE1 3.23Å; D87-W89 PolarHBondContact O-N 3.38Å; W89-Y92 HydrophobicContact CE3-CD1 4.41Å; W89-Y92 HydrophobicContact CZ3-CD1 4.45Å; W89-R93 WeakPolarHBondContact O-CB 3.45Å; W89-R93 PolarHBondContact O-N 2.93Å; W89-Q594 HydrophobicContact CG-CG 4.28Å; W89-M598 HydrophobicContact CD2-CE 4.36Å; W89-M598 HydrophobicContact CD2-CG 4.47Å; W89-M598 VanDerWaalsContact CE2-CE 3.46Å; W89-M598 HydrophobicContact CE3-CG 4.21Å; W89-M598 HydrophobicContact CH2-CE 3.6Å; W89-M598 HydrophobicContact CH2-CG 3.87Å; W89-M598 HydrophobicContact CH2-SD 4.49Å; W89-M598 HydrophobicContact CZ2-CE 3.05Å; W89-M598 HydrophobicContact CZ2-CG 4.18Å; W89-M598 HydrophobicContact CZ2-SD 4.41Å; W89-M598 HydrophobicContact CZ3-CE 4.43Å; W89-M598 HydrophobicContact CZ3-CG 3.88Å
90	F	94.5	Very high	91.4	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.035	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-43.8	174	174	-104.4	0	0	0	111.6	D87 P88 Y92 R93 S94 V122 V126 M131 Y593	D87-F90 PolarHBondContact O-N 2.72Å; P88-F90 VanDerWaalsContact C-N 3.33Å; P88-F90 PolarHBondContact O-N 3.12Å; F90-Y92 VanDerWaalsContact C-N 3.27Å; F90-Y92 PolarHBondContact O-N 3.5Å; F90-R93 PolarHBondContact O-N 3.13Å; F90-S94 WeakPolarHBondContact O-CB 3.43Å; F90-S94 PolarHBondContact O-N 3.45Å; F90-S94 PolarHBondContact O-OG 3.43Å; F90-V122 HydrophobicContact CE2-CG1 4.33Å; F90-V122 HydrophobicContact CE2-CG2 4.25Å; F90-V122 HydrophobicContact CZ-CG1 3.8Å; F90-V122 HydrophobicContact CZ-CG2 4.38Å; F90-V126 HydrophobicContact CE1-CB 4.39Å; F90-V126 HydrophobicContact CE1-CG2 3.71Å; F90-V126 HydrophobicContact CZ-CG2 4.35Å; F90-M131 HydrophobicContact CE1-CE 4.49Å; F90-Y593 HydrophobicContact CB-CD1 3.55Å; F90-Y593 HydrophobicContact CB-CD2 3.73Å; F90-Y593 HydrophobicContact CB-CE1 3.52Å; F90-Y593 HydrophobicContact CB-CE2 3.69Å; F90-Y593 HydrophobicContact CB-CG 3.66Å; F90-Y593 HydrophobicContact CD1-CE1 4.43Å; F90-Y593 HydrophobicContact CD2-CD1 4.12Å; F90-Y593 AromaticContact CD2-CE1 3.65Å; F90-Y593 HydrophobicContact CD2-CE1 3.65Å; F90-Y593 HydrophobicContact CE2-CE1 4.5Å; F90-Y593 HydrophobicContact CG-CD1 4.09Å; F90-Y593 AromaticContact CG-CE1 3.61Å; F90-Y593 HydrophobicContact CG-CE1 3.61Å; F90-Y593 HydrophobicContact CG-CE2 4.27Å; F90-Y593 AromaticContact CG-CZ 3.71Å
91	N	94.5	Very high	91.7	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-40	177.8	-63.9	-22.9	0	0	0	110.9	P88 S94 T95 L130 M131 F204	P88-N91 PolarHBondContact O-N 3.29Å; N91-S94 VanDerWaalsContact C-OG 3.3Å; N91-S94 VanDerWaalsContact CA-OG 3.29Å; N91-S94 WeakPolarHBondContact CA-OG 3.45Å; N91-S94 PolarHBondContact O-OG 3.42Å; N91-T95 VanDerWaalsContact O-CB 3.31Å; N91-T95 WeakPolarHBondContact O-CB 3.38Å; N91-T95 PolarHBondContact O-N 3.28Å; N91-T95 PolarHBondContact O-OG1 2.75Å; N91-L130 HydrophobicContact CB-CD2 3.93Å; N91-M131 HydrophobicContact CB-CE 4.43Å; N91-M131 WeakPolarHBondContact OD1-CE 3.28Å; N91-F204 HydrophobicContact CB-CD1 3.5Å; N91-F204 VanDerWaalsContact CB-CD1 3.5Å; N91-F204 HydrophobicContact CB-CE1 3.57Å; N91-F204 PolarHBondContact ND2-O 2.88Å
92	Y	94.9	Very high	91.9	Very high	38 Å²	38	31.9 Å²	31.9	15%	0.149	17%	0.166	C	C	.	.	H	α-helix	trans	-68.6	-45.8	175.7	169.8	-107.5	0	0	0	113.3	I83 P88 W89 F90 S94 T95 H96 I150 R151 C154	I83-Y92 HydrophobicContact CD1-CD1 3.79Å; I83-Y92 HydrophobicContact CD1-CD2 3.51Å; I83-Y92 HydrophobicContact CD1-CE2 4.29Å; I83-Y92 HydrophobicContact CD1-CG 3.2Å; P88-Y92 WeakPolarHBondContact O-CB 3.47Å; P88-Y92 PolarHBondContact O-N 3.46Å; W89-Y92 HydrophobicContact CE3-CD1 4.41Å; W89-Y92 HydrophobicContact CZ3-CD1 4.45Å; F90-Y92 VanDerWaalsContact C-N 3.27Å; F90-Y92 PolarHBondContact O-N 3.5Å; Y92-S94 VanDerWaalsContact C-N 3.31Å; Y92-S94 PolarHBondContact O-N 2.87Å; Y92-T95 PolarHBondContact O-N 3.49Å; Y92-H96 WeakPolarHBondContact O-CB 3.49Å; Y92-H96 PolarHBondContact O-N 3.48Å; Y92-I150 HydrophobicContact CE2-CG2 4.27Å; Y92-R151 HydrophobicContact CE2-CB 3.82Å; Y92-R151 HydrophobicContact CE2-CG 4.18Å; Y92-C154 HydrophobicContact CD2-CB 4.31Å
93	R	94.5	Very high	92.1	Very high	40 Å²	40	35.8 Å²	35.8	15%	0.151	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-43.8	177.7	-179.2	178.1	172.9	-139.9	-4.6	111.6	W89 F90 H96 H97 D111	W89-R93 WeakPolarHBondContact O-CB 3.45Å; W89-R93 PolarHBondContact O-N 2.93Å; F90-R93 PolarHBondContact O-N 3.13Å; R93-H96 PolarHBondContact O-N 3.49Å; R93-H97 PolarHBondContact O-N 3.37Å; R93-D111 IonicContact CZ-OD1 3.6Å; R93-D111 IonicContact CZ-OD2 3.84Å; R93-D111 VanDerWaalsContact CZ-OD2 3.25Å; R93-D111 IonicContact NH1-OD1 2.81Å; R93-D111 IonicContact NH1-OD2 2.8Å; R93-D111 PolarHBondContact NH1-OD2 3.31Å; R93-D111 IonicContact NH2-OD1 3.57Å; R93-D111 PolarHBondContact NH2-OD1 3.13Å; R93-D111 IonicContact NH2-OD2 3.3Å; R93-D111 PolarHBondContact NH2-OD2 3.02Å
94	S	94.2	Very high	92.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-41	175.9	49.8	0	0	0	0	112.3	F90 N91 Y92 H97 L98 M131	F90-S94 WeakPolarHBondContact O-CB 3.43Å; F90-S94 PolarHBondContact O-N 3.45Å; F90-S94 PolarHBondContact O-OG 3.43Å; N91-S94 VanDerWaalsContact C-OG 3.3Å; N91-S94 VanDerWaalsContact CA-OG 3.29Å; N91-S94 WeakPolarHBondContact CA-OG 3.45Å; N91-S94 PolarHBondContact O-OG 3.42Å; Y92-S94 VanDerWaalsContact C-N 3.31Å; Y92-S94 PolarHBondContact O-N 2.87Å; S94-H97 PolarHBondContact O-N 2.97Å; S94-L98 PolarHBondContact O-N 3.04Å; S94-M131 WeakPolarHBondContact OG-CE 3.14Å
95	T	95.3	Very high	92.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-43	174.3	-56.5	0	0	0	0	111.6	N91 Y92 H97 L98 T99 A134 I150 F204	N91-T95 VanDerWaalsContact O-CB 3.31Å; N91-T95 WeakPolarHBondContact O-CB 3.38Å; N91-T95 PolarHBondContact O-N 3.28Å; N91-T95 PolarHBondContact O-OG1 2.75Å; Y92-T95 PolarHBondContact O-N 3.49Å; T95-H97 VanDerWaalsContact C-N 3.33Å; T95-H97 PolarHBondContact O-N 3.2Å; T95-L98 WeakPolarHBondContact O-CB 3.33Å; T95-L98 PolarHBondContact O-N 3.19Å; T95-T99 PolarHBondContact O-N 2.98Å; T95-T99 PolarHBondContact O-OG1 3.33Å; T95-A134 HydrophobicContact CG2-CB 3.81Å; T95-I150 HydrophobicContact CG2-CD1 3.84Å; T95-I150 HydrophobicContact CG2-CG1 4Å; T95-F204 WeakPolarHBondContact OG1-CE1 3.41Å
96	H	94.4	Very high	93	Very high	80 Å²	80	46.9 Å²	46.9	37%	0.37	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-42.6	175.5	-179.8	-83.3	0	0	0	111.6	Y92 R93 T99 T100	Y92-H96 WeakPolarHBondContact O-CB 3.49Å; Y92-H96 PolarHBondContact O-N 3.48Å; R93-H96 PolarHBondContact O-N 3.49Å; H96-T99 WeakPolarHBondContact CA-OG1 3.4Å; H96-T99 PolarHBondContact O-N 3.11Å; H96-T99 PolarHBondContact O-OG1 2.84Å; H96-T100 WeakPolarHBondContact O-CG2 3.48Å; H96-T100 PolarHBondContact O-N 2.96Å; H96-T100 VanDerWaalsContact O-N 3.11Å; H96-T100 PolarHBondContact O-OG1 2.75Å
97	H	93.7	Very high	93.4	Very high	30 Å²	30	47 Å²	47	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-43.8	173.9	-173.2	-82.2	0	0	0	111.8	R93 S94 T95 T99 T100 N101 W109	R93-H97 PolarHBondContact O-N 3.37Å; S94-H97 PolarHBondContact O-N 2.97Å; T95-H97 VanDerWaalsContact C-N 3.33Å; T95-H97 PolarHBondContact O-N 3.2Å; H97-T99 VanDerWaalsContact C-N 3.34Å; H97-T99 PolarHBondContact O-N 3.19Å; H97-T100 PolarHBondContact O-N 3.38Å; H97-T100 PolarHBondContact O-OG1 2.85Å; H97-N101 PolarHBondContact CD2-ND2 3.49Å; H97-N101 VanDerWaalsContact CD2-ND2 3.26Å; H97-N101 PolarHBondContact CE1-ND2 3.37Å; H97-N101 PolarHBondContact NE2-ND2 3.29Å; H97-N101 WeakPolarHBondContact O-CB 3.31Å; H97-N101 PolarHBondContact O-N 2.92Å; H97-W109 AromaticContact CD2-CE2 3.85Å; H97-W109 AromaticContact CD2-NE1 3.91Å; H97-W109 AromaticContact CE1-CD1 3.73Å; H97-W109 AromaticContact CE1-CD2 4Å; H97-W109 AromaticContact CE1-CG 3.65Å; H97-W109 AromaticContact NE2-CD1 3.54Å; H97-W109 AromaticContact NE2-CE2 3.95Å; H97-W109 AromaticContact NE2-CG 3.87Å; H97-W109 AromaticContact NE2-NE1 3.61Å
98	L	94.7	Very high	93.8	Very high	18 Å²	18	51 Å²	51	9%	0.094	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-41.6	176.8	-177.5	153.9	0	0	0	112.2	S94 T95 G102 F103 F106 M131 V132	S94-L98 PolarHBondContact O-N 3.04Å; T95-L98 WeakPolarHBondContact O-CB 3.33Å; T95-L98 PolarHBondContact O-N 3.19Å; L98-G102 CarbonylContact O-C 3.5Å; L98-G102 WeakPolarHBondContact O-CA 3.48Å; L98-G102 PolarHBondContact O-N 3.45Å; L98-F103 HydrophobicContact CD1-CD2 4.48Å; L98-F106 HydrophobicContact CB-CB 4.17Å; L98-F106 HydrophobicContact CB-CD2 4Å; L98-F106 HydrophobicContact CB-CG 3.99Å; L98-F106 HydrophobicContact CD1-CB 4.48Å; L98-F106 HydrophobicContact CD1-CD1 3.73Å; L98-F106 HydrophobicContact CD1-CD2 4.48Å; L98-F106 HydrophobicContact CD1-CE1 4.05Å; L98-F106 HydrophobicContact CD1-CG 3.95Å; L98-F106 HydrophobicContact CG-CB 4.32Å; L98-F106 HydrophobicContact CG-CD1 4.46Å; L98-F106 HydrophobicContact CG-CG 4.22Å; L98-M131 HydrophobicContact CD1-CB 4.11Å; L98-V132 HydrophobicContact CD1-CG2 3.99Å
99	T	92.8	Very high	93.8	Very high	44 Å²	44	52.3 Å²	52.3	27%	0.27	26%	0.256	S	S	.	.	H	α-helix	trans	-73.7	-26.4	-179.4	51.1	0	0	0	0	114	T95 H96 H97 I150	T95-T99 PolarHBondContact O-N 2.98Å; T95-T99 PolarHBondContact O-OG1 3.33Å; H96-T99 WeakPolarHBondContact CA-OG1 3.4Å; H96-T99 PolarHBondContact O-N 3.11Å; H96-T99 PolarHBondContact O-OG1 2.84Å; H97-T99 VanDerWaalsContact C-N 3.34Å; H97-T99 PolarHBondContact O-N 3.19Å; T99-I150 HydrophobicContact CG2-CD1 3.81Å; T99-I150 HydrophobicContact CG2-CG1 4.1Å
100	T	92.9	Very high	93.9	Very high	81 Å²	81	56.2 Å²	56.2	50%	0.497	27%	0.274	S	S	.	.	H	α-helix	trans	-91.5	-42.1	-177.2	47.3	0	0	0	0	112.7	H96 H97	H96-T100 WeakPolarHBondContact O-CG2 3.48Å; H96-T100 PolarHBondContact O-N 2.96Å; H96-T100 VanDerWaalsContact O-N 3.11Å; H96-T100 PolarHBondContact O-OG1 2.75Å; H97-T100 PolarHBondContact O-N 3.38Å; H97-T100 PolarHBondContact O-OG1 2.85Å
101	N	92.9	Very high	93.8	Very high	75 Å²	75	56.1 Å²	56.1	40%	0.401	27%	0.274	S	S	.	.	H	α-helix	trans	-103	-11.3	-174.4	-63.1	-16.6	0	0	0	113.1	H97 E105	H97-N101 PolarHBondContact CD2-ND2 3.49Å; H97-N101 VanDerWaalsContact CD2-ND2 3.26Å; H97-N101 PolarHBondContact CE1-ND2 3.37Å; H97-N101 PolarHBondContact NE2-ND2 3.29Å; H97-N101 WeakPolarHBondContact O-CB 3.31Å; H97-N101 PolarHBondContact O-N 2.92Å; N101-E105 HydrophobicContact CB-CB 4Å
102	G	93.4	Very high	93.8	Very high	30 Å²	30	62 Å²	62	31%	0.309	30%	0.301	S	S	.	.			trans	87.6	176.7	179.7	0	0	0	0	0	114.3	L98 F106	L98-G102 CarbonylContact O-C 3.5Å; L98-G102 WeakPolarHBondContact O-CA 3.48Å; L98-G102 PolarHBondContact O-N 3.45Å; G102-F106 WeakPolarHBondContact O-CB 3.32Å; G102-F106 PolarHBondContact O-N 2.93Å
103	F	93.1	Very high	93.6	Very high	100 Å²	100	64.2 Å²	64.2	44%	0.439	31%	0.309	S	S	.	.	H	α-helix	trans	-71.7	-41.5	-170.5	-178.7	-102.5	0	0	0	113.9	L98 F106 L107 V132	L98-F103 HydrophobicContact CD1-CD2 4.48Å; F103-F106 WeakPolarHBondContact O-CB 3.25Å; F103-F106 PolarHBondContact O-N 3.34Å; F103-L107 HydrophobicContact CE1-CD2 4.47Å; F103-L107 PolarHBondContact O-N 3.25Å; F103-V132 HydrophobicContact CD2-CG2 4.16Å; F103-V132 HydrophobicContact CE2-CG2 3.75Å
104	Y	93.3	Very high	93.6	Very high	186 Å²	186	62.3 Å²	62.3	73%	0.729	30%	0.302	S	S	*	.	H	α-helix	trans	-68.9	-37.4	-177.4	-69.6	-71.5	0	0	0	112.7	N108	Y104-N108 PolarHBondContact O-N 3.43Å; Y104-N108 PolarHBondContact O-ND2 3.04Å
105	E	93.3	Very high	93.6	Very high	118 Å²	118	62.3 Å²	62.3	55%	0.551	30%	0.302	S	S	*	.	H	α-helix	trans	-69.7	-37.2	173.2	-67.8	-150.1	175.7	0	0	111.6	N101 N108 W109	N101-E105 HydrophobicContact CB-CB 4Å; E105-N108 CarbonylContact O-C 3.58Å; E105-N108 PolarHBondContact O-N 3.34Å; E105-W109 WeakPolarHBondContact O-CA 3.3Å; E105-W109 WeakPolarHBondContact O-CB 3.47Å; E105-W109 PolarHBondContact O-N 3.13Å
106	F	93.6	Very high	93.5	Very high	1 Å²	1	65 Å²	65	0%	0.004	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-44.6	173.5	173.6	-102.2	0	0	0	112.6	L98 G102 F103 N108 W109 V126 P128 M131	L98-F106 HydrophobicContact CB-CB 4.17Å; L98-F106 HydrophobicContact CB-CD2 4Å; L98-F106 HydrophobicContact CB-CG 3.99Å; L98-F106 HydrophobicContact CD1-CB 4.48Å; L98-F106 HydrophobicContact CD1-CD1 3.73Å; L98-F106 HydrophobicContact CD1-CD2 4.48Å; L98-F106 HydrophobicContact CD1-CE1 4.05Å; L98-F106 HydrophobicContact CD1-CG 3.95Å; L98-F106 HydrophobicContact CG-CB 4.32Å; L98-F106 HydrophobicContact CG-CD1 4.46Å; L98-F106 HydrophobicContact CG-CG 4.22Å; G102-F106 WeakPolarHBondContact O-CB 3.32Å; G102-F106 PolarHBondContact O-N 2.93Å; F103-F106 WeakPolarHBondContact O-CB 3.25Å; F103-F106 PolarHBondContact O-N 3.34Å; F106-N108 VanDerWaalsContact C-N 3.27Å; F106-N108 PolarHBondContact O-N 3.16Å; F106-W109 HydrophobicContact CD2-CE3 4.42Å; F106-W109 HydrophobicContact CE2-CE3 4.44Å; F106-W109 VanDerWaalsContact O-CB 3.24Å; F106-W109 WeakPolarHBondContact O-CB 3.5Å; F106-W109 PolarHBondContact O-N 3.16Å; F106-V126 HydrophobicContact CZ-CG1 4.29Å; F106-P128 HydrophobicContact CE1-CB 4.09Å; F106-M131 HydrophobicContact CZ-CB 4.28Å; F106-M131 HydrophobicContact CZ-CG 4.24Å
107	L	92.8	Very high	93.4	Very high	56 Å²	56	64.9 Å²	64.9	29%	0.293	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-32.8	-179.5	-170.6	64.3	0	0	0	112.5	F103 G123 P293	F103-L107 HydrophobicContact CE1-CD2 4.47Å; F103-L107 PolarHBondContact O-N 3.25Å; L107-G123 WeakPolarHBondContact O-CA 3.43Å; L107-P293 HydrophobicContact CD1-CG 4.06Å
108	N	94.3	Very high	93.4	Very high	131 Å²	131	67 Å²	67	70%	0.701	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	16.2	178.1	-64.2	-41.9	0	0	0	113.1	Y104 E105 F106 F110	Y104-N108 PolarHBondContact O-N 3.43Å; Y104-N108 PolarHBondContact O-ND2 3.04Å; E105-N108 CarbonylContact O-C 3.58Å; E105-N108 PolarHBondContact O-N 3.34Å; F106-N108 VanDerWaalsContact C-N 3.27Å; F106-N108 PolarHBondContact O-N 3.16Å; N108-F110 PolarHBondContact O-N 3.48Å
109	W	94.5	Very high	93.3	Very high	28 Å²	28	66.7 Å²	66.7	11%	0.106	33%	0.332	C	S	.	.			trans	-72.1	119.3	-172.8	-177.9	35	0	0	0	112.1	H97 E105 F106 D111 V122	H97-W109 AromaticContact CD2-CE2 3.85Å; H97-W109 AromaticContact CD2-NE1 3.91Å; H97-W109 AromaticContact CE1-CD1 3.73Å; H97-W109 AromaticContact CE1-CD2 4Å; H97-W109 AromaticContact CE1-CG 3.65Å; H97-W109 AromaticContact NE2-CD1 3.54Å; H97-W109 AromaticContact NE2-CE2 3.95Å; H97-W109 AromaticContact NE2-CG 3.87Å; H97-W109 AromaticContact NE2-NE1 3.61Å; E105-W109 WeakPolarHBondContact O-CA 3.3Å; E105-W109 WeakPolarHBondContact O-CB 3.47Å; E105-W109 PolarHBondContact O-N 3.13Å; F106-W109 HydrophobicContact CD2-CE3 4.42Å; F106-W109 HydrophobicContact CE2-CE3 4.44Å; F106-W109 VanDerWaalsContact O-CB 3.24Å; F106-W109 WeakPolarHBondContact O-CB 3.5Å; F106-W109 PolarHBondContact O-N 3.16Å; W109-D111 HydrophobicContact CH2-CB 4.27Å; W109-D111 HydrophobicContact CZ2-CB 3.71Å; W109-V122 HydrophobicContact CD2-CB 4.05Å; W109-V122 HydrophobicContact CD2-CG2 4.17Å; W109-V122 HydrophobicContact CE3-CB 3.44Å; W109-V122 VanDerWaalsContact CE3-CB 3.44Å; W109-V122 HydrophobicContact CE3-CG1 3.47Å; W109-V122 VanDerWaalsContact CE3-CG1 3.47Å; W109-V122 HydrophobicContact CE3-CG2 3.71Å; W109-V122 HydrophobicContact CH2-CG2 4.21Å; W109-V122 HydrophobicContact CZ3-CB 3.88Å; W109-V122 HydrophobicContact CZ3-CG1 3.63Å; W109-V122 HydrophobicContact CZ3-CG2 3.73Å; W109-V122 PolarHBondContact O-N 3.18Å
110	F	94.6	Very high	93.3	Very high	110 Å²	110	65 Å²	65	48%	0.482	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113	166.6	-178.5	-104.5	0	0	0	109.4	N108 E112 I121	N108-F110 PolarHBondContact O-N 3.48Å; F110-E112 HydrophobicContact CE1-CB 4.28Å; F110-E112 PolarHBondContact O-N 3.38Å; F110-I121 HydrophobicContact CD2-CG1 3.73Å; F110-I121 HydrophobicContact CE2-CG1 4.17Å
111	D	93	Very high	93.3	Very high	5 Å²	5	66.1 Å²	66.1	3%	0.027	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	102.7	178.8	-170.2	22.1	0	0	0	110.4	R93 W109 R113 R120 V122	R93-D111 IonicContact CZ-OD1 3.6Å; R93-D111 IonicContact CZ-OD2 3.84Å; R93-D111 VanDerWaalsContact CZ-OD2 3.25Å; R93-D111 IonicContact NH1-OD1 2.81Å; R93-D111 IonicContact NH1-OD2 2.8Å; R93-D111 PolarHBondContact NH1-OD2 3.31Å; R93-D111 IonicContact NH2-OD1 3.57Å; R93-D111 PolarHBondContact NH2-OD1 3.13Å; R93-D111 IonicContact NH2-OD2 3.3Å; R93-D111 PolarHBondContact NH2-OD2 3.02Å; W109-D111 HydrophobicContact CH2-CB 4.27Å; W109-D111 HydrophobicContact CZ2-CB 3.71Å; D111-R113 VanDerWaalsContact C-N 3.28Å; D111-R113 PolarHBondContact OD1-N 2.94Å; D111-R120 PolarHBondContact N-O 3.32Å; D111-R120 PolarHBondContact O-N 3.29Å; D111-V122 HydrophobicContact CB-CG2 3.69Å
112	E	92.8	Very high	93.2	Very high	130 Å²	130	62.5 Å²	62.5	61%	0.607	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-11.6	175.9	62.1	178	-163.1	0	0	113.4	F110	F110-E112 HydrophobicContact CE1-CB 4.28Å; F110-E112 PolarHBondContact O-N 3.38Å
113	R	92	Very high	93	Very high	85 Å²	85	61.3 Å²	61.3	32%	0.321	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.6	-176.7	-60.3	-172.5	176.4	-168	-4.9	113.7	D111 N600 T602 T603	D111-R113 VanDerWaalsContact C-N 3.28Å; D111-R113 PolarHBondContact OD1-N 2.94Å; R113-N600 PolarHBondContact NH1-OD1 3.41Å; R113-T602 VanDerWaalsContact O-CA 3.23Å; R113-T602 WeakPolarHBondContact O-CA 3.44Å; R113-T603 PolarHBondContact O-N 3.27Å
114	A	93.2	Very high	92.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	-122.1	152	175.2	0	0	0	0	0	109.5	Y116 G119	A114-Y116 PolarHBondContact O-N 3.18Å; A114-G119 WeakPolarHBondContact O-CA 3.33Å
115	W	94.5	Very high	92.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	58.9	41	-179.4	-71	87.8	0	0	0	114.1	P117 L118 G119 T603 L604 V605 D606 N608 W610 N611 H614 I615	W115-P117 CarbonylContact O-C 3.54Å; W115-L118 WeakPolarHBondContact O-CA 3.44Å; W115-L118 WeakPolarHBondContact O-CB 3.4Å; W115-L118 PolarHBondContact O-N 3.46Å; W115-G119 PolarHBondContact O-N 2.93Å; W115-T603 PolarHBondContact N-O 3.3Å; W115-T603 VanDerWaalsContact N-O 3.09Å; W115-L604 WeakPolarHBondContact CA-O 3.4Å; W115-V605 HydrophobicContact CH2-CG1 4.25Å; W115-V605 HydrophobicContact CZ2-CG1 4.48Å; W115-D606 HydrophobicContact CZ2-CB 4.17Å; W115-N608 WeakPolarHBondContact CZ2-O 3.18Å; W115-W610 HydrophobicContact CB-CZ2 4.5Å; W115-W610 AromaticContact CD1-NE1 3.51Å; W115-W610 AromaticContact CD2-CE2 3.82Å; W115-W610 HydrophobicContact CD2-CZ2 4.07Å; W115-W610 AromaticContact CD2-NE1 3.18Å; W115-W610 AromaticContact CE2-CD1 3.54Å; W115-W610 AromaticContact CE2-NE1 3.12Å; W115-W610 AromaticContact CE3-CE2 4Å; W115-W610 HydrophobicContact CE3-CZ2 4.04Å; W115-W610 AromaticContact CE3-NE1 3.77Å; W115-W610 HydrophobicContact CG-CZ2 4.24Å; W115-W610 AromaticContact CG-NE1 3.5Å; W115-W610 AromaticContact CZ2-CD1 3.76Å; W115-W610 AromaticContact CZ2-NE1 3.75Å; W115-W610 AromaticContact NE1-CD1 3.65Å; W115-W610 AromaticContact NE1-NE1 3.23Å; W115-N611 HydrophobicContact CE3-CB 4.43Å; W115-N611 HydrophobicContact CH2-CB 4.37Å; W115-N611 HydrophobicContact CZ3-CB 3.79Å; W115-H614 AromaticContact CE3-CD2 3.8Å; W115-H614 HydrophobicContact CZ3-CB 3.96Å; W115-H614 AromaticContact CZ3-CD2 3.87Å; W115-I615 HydrophobicContact CH2-CD1 4.19Å; W115-I615 HydrophobicContact CH2-CG1 3.97Å
116	Y	94.4	Very high	92.6	Very high	56 Å²	56	46.1 Å²	46.1	22%	0.22	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	131.6	172.2	-176.3	-93.1	0	0	0	110.1	A114 R584 T602 T603 H614 L636 D637	A114-Y116 PolarHBondContact O-N 3.18Å; Y116-R584 HydrophobicContact CD1-CG 4.32Å; Y116-R584 HydrophobicContact CG-CG 4.41Å; Y116-T602 HydrophobicContact CD2-CG2 4.45Å; Y116-T602 HydrophobicContact CG-CG2 4.34Å; Y116-T603 PolarHBondContact N-O 3.09Å; Y116-H614 PolarHBondContact O-NE2 3.25Å; Y116-L636 VanDerWaalsContact CE1-O 3.27Å; Y116-L636 WeakPolarHBondContact CE1-O 3.47Å; Y116-D637 HydrophobicContact CE1-CB 4.09Å; Y116-D637 PolarHBondContact OH-OD2 3.26Å
117	P	92.8	Very high	92.6	Very high	78 Å²	78	48 Å²	48	51%	0.506	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	cis	-96	6.2	10.4	37.4	-37	0	0	0	116.3	W115	W115-P117 CarbonylContact O-C 3.54Å
118	L	93	Very high	92.7	Very high	75 Å²	75	46.4 Å²	46.4	39%	0.393	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-41.9	-173.5	-55.8	98.6	0	0	0	113.6	W115 W610	W115-L118 WeakPolarHBondContact O-CA 3.44Å; W115-L118 WeakPolarHBondContact O-CB 3.4Å; W115-L118 PolarHBondContact O-N 3.46Å; L118-W610 HydrophobicContact CD2-CH2 3.79Å; L118-W610 HydrophobicContact CD2-CZ2 4.36Å
119	G	91.6	Very high	92.5	Very high	12 Å²	12	40.3 Å²	40.3	12%	0.124	21%	0.208	C	C	.	.			trans	75.6	164.6	-166.5	0	0	0	0	0	113.1	A114 W115	A114-G119 WeakPolarHBondContact O-CA 3.33Å; W115-G119 PolarHBondContact O-N 2.93Å
120	R	93.2	Very high	92.5	Very high	9 Å²	9	39.1 Å²	39.1	3%	0.034	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.4	-179.5	-178.8	178.6	176.5	176.2	-3	111.7	D111 V122 T125 Y593 N608	D111-R120 PolarHBondContact N-O 3.32Å; D111-R120 PolarHBondContact O-N 3.29Å; R120-V122 HydrophobicContact CG-CG2 4.25Å; R120-V122 PolarHBondContact O-N 3.46Å; R120-V122 VanDerWaalsContact O-N 3.1Å; R120-T125 PolarHBondContact NE-OG1 3.49Å; R120-T125 VanDerWaalsContact NE-OG1 3.17Å; R120-T125 PolarHBondContact NH2-O 3.38Å; R120-Y593 PolarHBondContact NH1-OH 3.14Å; R120-Y593 VanDerWaalsContact NH1-OH 3.14Å; R120-N608 VanDerWaalsContact CZ-ND2 3.3Å; R120-N608 VanDerWaalsContact NH1-CB 3.34Å; R120-N608 PolarHBondContact NH2-ND2 3.31Å; R120-N608 VanDerWaalsContact NH2-ND2 3.19Å
121	I	93.1	Very high	92.5	Very high	103 Å²	103	33.9 Å²	33.9	53%	0.528	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	96.2	170	-56.3	164.8	0	0	0	108.3	F110 T125	F110-I121 HydrophobicContact CD2-CG1 3.73Å; F110-I121 HydrophobicContact CE2-CG1 4.17Å; I121-T125 VanDerWaalsContact O-CB 3.31Å; I121-T125 WeakPolarHBondContact O-CB 3.39Å; I121-T125 WeakPolarHBondContact O-CG2 3.47Å; I121-T125 PolarHBondContact O-N 3.24Å; I121-T125 PolarHBondContact O-OG1 3.49Å
122	V	91.8	Very high	92.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-48.4	-171.5	173.4	0	0	0	0	111.5	F90 W109 D111 R120 G124 T125 V126	F90-V122 HydrophobicContact CE2-CG1 4.33Å; F90-V122 HydrophobicContact CE2-CG2 4.25Å; F90-V122 HydrophobicContact CZ-CG1 3.8Å; F90-V122 HydrophobicContact CZ-CG2 4.38Å; W109-V122 HydrophobicContact CD2-CB 4.05Å; W109-V122 HydrophobicContact CD2-CG2 4.17Å; W109-V122 HydrophobicContact CE3-CB 3.44Å; W109-V122 VanDerWaalsContact CE3-CB 3.44Å; W109-V122 HydrophobicContact CE3-CG1 3.47Å; W109-V122 VanDerWaalsContact CE3-CG1 3.47Å; W109-V122 HydrophobicContact CE3-CG2 3.71Å; W109-V122 HydrophobicContact CH2-CG2 4.21Å; W109-V122 HydrophobicContact CZ3-CB 3.88Å; W109-V122 HydrophobicContact CZ3-CG1 3.63Å; W109-V122 HydrophobicContact CZ3-CG2 3.73Å; W109-V122 PolarHBondContact O-N 3.18Å; D111-V122 HydrophobicContact CB-CG2 3.69Å; R120-V122 HydrophobicContact CG-CG2 4.25Å; R120-V122 PolarHBondContact O-N 3.46Å; R120-V122 VanDerWaalsContact O-N 3.1Å; V122-G124 PolarHBondContact O-N 3.09Å; V122-G124 VanDerWaalsContact O-N 3.11Å; V122-T125 PolarHBondContact O-N 3.19Å; V122-V126 HydrophobicContact CG1-CG1 4.04Å; V122-V126 WeakPolarHBondContact O-CG1 3.26Å; V122-V126 PolarHBondContact O-N 2.91Å
123	G	88.4	Confident	92.7	Very high	4 Å²	4	31 Å²	31	4%	0.041	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.1	-175.3	0	0	0	0	0	114.6	L107	L107-G123 WeakPolarHBondContact O-CA 3.43Å
124	G	89.6	Confident	92.9	Very high	26 Å²	26	26.9 Å²	26.9	27%	0.268	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-11.5	174.4	0	0	0	0	0	115.1	V122 F294	V122-G124 PolarHBondContact O-N 3.09Å; V122-G124 VanDerWaalsContact O-N 3.11Å; G124-F294 WeakPolarHBondContact O-CA 3.18Å; G124-F294 WeakPolarHBondContact O-CD2 3.21Å
125	T	90.3	Very high	92.9	Very high	48 Å²	48	27.2 Å²	27.2	29%	0.294	16%	0.159	S	C	.	.	S	Bend	trans	-118	17.4	-173.8	65.1	0	0	0	0	113.8	R120 I121 V122	R120-T125 PolarHBondContact NE-OG1 3.49Å; R120-T125 VanDerWaalsContact NE-OG1 3.17Å; R120-T125 PolarHBondContact NH2-O 3.38Å; I121-T125 VanDerWaalsContact O-CB 3.31Å; I121-T125 WeakPolarHBondContact O-CB 3.39Å; I121-T125 WeakPolarHBondContact O-CG2 3.47Å; I121-T125 PolarHBondContact O-N 3.24Å; I121-T125 PolarHBondContact O-OG1 3.49Å; V122-T125 PolarHBondContact O-N 3.19Å
126	V	92.1	Very high	92.9	Very high	12 Å²	12	31.9 Å²	31.9	7%	0.073	18%	0.184	C	C	.	.	S	Bend	trans	-139.5	152.6	-179.1	76.7	0	0	0	0	111.5	F90 F106 V122 P128 M131	F90-V126 HydrophobicContact CE1-CB 4.39Å; F90-V126 HydrophobicContact CE1-CG2 3.71Å; F90-V126 HydrophobicContact CZ-CG2 4.35Å; F106-V126 HydrophobicContact CZ-CG1 4.29Å; V122-V126 HydrophobicContact CG1-CG1 4.04Å; V122-V126 WeakPolarHBondContact O-CG1 3.26Å; V122-V126 PolarHBondContact O-N 2.91Å; V126-P128 WeakPolarHBondContact O-CD 3.24Å; V126-M131 HydrophobicContact CG2-CE 3.48Å; V126-M131 VanDerWaalsContact CG2-CE 3.48Å; V126-M131 HydrophobicContact CG2-SD 4.47Å
127	Y	93.3	Very high	92.9	Very high	40 Å²	40	31.8 Å²	31.8	16%	0.157	19%	0.186	C	C	.	.			trans	-80.2	111.9	166.9	-68.9	-70.3	0	0	0	109.4	G129 M131 V244 S245 G248 Y250 F294 V295	Y127-G129 VanDerWaalsContact C-N 3.29Å; Y127-G129 PolarHBondContact O-N 3.49Å; Y127-M131 VanDerWaalsContact O-SD 3.38Å; Y127-V244 WeakPolarHBondContact CD1-O 3.38Å; Y127-V244 WeakPolarHBondContact CE1-O 3.05Å; Y127-S245 CarbonylContact C-O 3.6Å; Y127-S245 VanDerWaalsContact C-O 3.3Å; Y127-S245 VanDerWaalsContact CB-O 3.31Å; Y127-S245 WeakPolarHBondContact CB-O 2.88Å; Y127-G248 WeakPolarHBondContact OH-CA 3.1Å; Y127-Y250 HydrophobicContact CE1-CE1 4.26Å; Y127-F294 HydrophobicContact CD1-CD1 4.18Å; Y127-F294 HydrophobicContact CD2-CD1 4.3Å; Y127-F294 HydrophobicContact CD2-CE1 4.37Å; Y127-F294 AromaticContact CE1-CD1 3.61Å; Y127-F294 HydrophobicContact CE1-CD1 3.61Å; Y127-F294 HydrophobicContact CE1-CE1 4.16Å; Y127-F294 AromaticContact CE2-CD1 3.73Å; Y127-F294 HydrophobicContact CE2-CD1 3.73Å; Y127-F294 AromaticContact CE2-CE1 3.53Å; Y127-F294 HydrophobicContact CE2-CE1 3.53Å; Y127-F294 AromaticContact CZ-CD1 3.35Å; Y127-F294 AromaticContact CZ-CE1 3.41Å; Y127-F294 VanDerWaalsContact CZ-CE1 3.41Å; Y127-F294 VanDerWaalsContact OH-CE1 3.31Å; Y127-F294 WeakPolarHBondContact OH-CE1 3.28Å; Y127-V295 HydrophobicContact CE1-CG2 4.23Å
128	P	93.3	Very high	93	Very high	22 Å²	22	29.5 Å²	29.5	14%	0.143	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.5	-170.8	32.5	-36.9	0	0	0	114.3	F106 V126 L130 M131 V132	F106-P128 HydrophobicContact CE1-CB 4.09Å; V126-P128 WeakPolarHBondContact O-CD 3.24Å; P128-L130 PolarHBondContact O-N 2.61Å; P128-M131 PolarHBondContact O-N 3.39Å; P128-V132 HydrophobicContact CB-CG2 4.29Å; P128-V132 WeakPolarHBondContact O-CB 3.28Å; P128-V132 VanDerWaalsContact O-CG2 3.25Å; P128-V132 WeakPolarHBondContact O-CG2 3.48Å; P128-V132 PolarHBondContact O-N 2.91Å
129	G	92.1	Very high	93.1	Very high	4 Å²	4	33.2 Å²	33.2	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-61.1	-40.6	-169.1	0	0	0	0	0	113.8	Y127 T133 S245	Y127-G129 VanDerWaalsContact C-N 3.29Å; Y127-G129 PolarHBondContact O-N 3.49Å; G129-T133 VanDerWaalsContact O-CB 3.29Å; G129-T133 WeakPolarHBondContact O-CB 3.37Å; G129-T133 PolarHBondContact O-N 3.28Å; G129-T133 PolarHBondContact O-OG1 3.1Å; G129-S245 VanDerWaalsContact CA-O 3.31Å; G129-S245 WeakPolarHBondContact CA-O 3.48Å; G129-S245 PolarHBondContact N-O 3.4Å
130	L	93.9	Very high	93.2	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-50	177.9	-179.2	65.5	0	0	0	111.6	N91 P128 T133 A134 L157 F204 N206 I209	N91-L130 HydrophobicContact CB-CD2 3.93Å; P128-L130 PolarHBondContact O-N 2.61Å; L130-T133 PolarHBondContact O-N 3.43Å; L130-A134 PolarHBondContact O-N 3.26Å; L130-L157 HydrophobicContact CD1-CD2 3.53Å; L130-F204 HydrophobicContact CD1-CD2 4.21Å; L130-F204 HydrophobicContact CD1-CE2 3.69Å; L130-F204 HydrophobicContact CD1-CZ 3.94Å; L130-F204 HydrophobicContact CD2-CD1 4.13Å; L130-F204 HydrophobicContact CD2-CD2 4.44Å; L130-F204 HydrophobicContact CD2-CE1 3.85Å; L130-F204 HydrophobicContact CD2-CE2 4.23Å; L130-F204 HydrophobicContact CD2-CG 4.42Å; L130-F204 HydrophobicContact CD2-CZ 3.91Å; L130-F204 HydrophobicContact CG-CE1 4.02Å; L130-F204 HydrophobicContact CG-CE2 3.88Å; L130-F204 HydrophobicContact CG-CZ 3.58Å; L130-N206 WeakPolarHBondContact CB-OD1 3.07Å; L130-N206 WeakPolarHBondContact CD2-OD1 3.39Å; L130-I209 HydrophobicContact CD1-CD1 3.49Å; L130-I209 VanDerWaalsContact CD1-CD1 3.49Å; L130-I209 HydrophobicContact CD1-CG1 3.98Å
131	M	94.7	Very high	93.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-42.5	-177.7	-55	79.2	173.4	0	0	111.6	F90 N91 S94 L98 F106 V126 Y127 P128 A134 G135	F90-M131 HydrophobicContact CE1-CE 4.49Å; N91-M131 HydrophobicContact CB-CE 4.43Å; N91-M131 WeakPolarHBondContact OD1-CE 3.28Å; S94-M131 WeakPolarHBondContact OG-CE 3.14Å; L98-M131 HydrophobicContact CD1-CB 4.11Å; F106-M131 HydrophobicContact CZ-CB 4.28Å; F106-M131 HydrophobicContact CZ-CG 4.24Å; V126-M131 HydrophobicContact CG2-CE 3.48Å; V126-M131 VanDerWaalsContact CG2-CE 3.48Å; V126-M131 HydrophobicContact CG2-SD 4.47Å; Y127-M131 VanDerWaalsContact O-SD 3.38Å; P128-M131 PolarHBondContact O-N 3.39Å; M131-A134 PolarHBondContact O-N 3.44Å; M131-G135 PolarHBondContact O-N 3.17Å
132	V	94.6	Very high	93.2	Very high	54 Å²	54	36.4 Å²	36.4	33%	0.327	19%	0.194	S	C	.	.	H	α-helix	trans	-65.7	-41.1	177.6	172.6	0	0	0	0	110.8	L98 F103 P128 G135 L136	L98-V132 HydrophobicContact CD1-CG2 3.99Å; F103-V132 HydrophobicContact CD2-CG2 4.16Å; F103-V132 HydrophobicContact CE2-CG2 3.75Å; P128-V132 HydrophobicContact CB-CG2 4.29Å; P128-V132 WeakPolarHBondContact O-CB 3.28Å; P128-V132 VanDerWaalsContact O-CG2 3.25Å; P128-V132 WeakPolarHBondContact O-CG2 3.48Å; P128-V132 PolarHBondContact O-N 2.91Å; V132-G135 PolarHBondContact O-N 3.3Å; V132-L136 VanDerWaalsContact O-CB 3.25Å; V132-L136 WeakPolarHBondContact O-CB 3.23Å; V132-L136 PolarHBondContact O-N 2.81Å
133	T	95.3	Very high	93.3	Very high	20 Å²	20	41.9 Å²	41.9	12%	0.123	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-47.8	177.6	-58.5	0	0	0	0	111.1	G129 L130 L136 I137 F161 I209 Y242	G129-T133 VanDerWaalsContact O-CB 3.29Å; G129-T133 WeakPolarHBondContact O-CB 3.37Å; G129-T133 PolarHBondContact O-N 3.28Å; G129-T133 PolarHBondContact O-OG1 3.1Å; L130-T133 PolarHBondContact O-N 3.43Å; T133-L136 PolarHBondContact O-N 3.49Å; T133-I137 HydrophobicContact CG2-CD1 4.04Å; T133-I137 VanDerWaalsContact O-CG1 3.31Å; T133-I137 WeakPolarHBondContact O-CG1 3.47Å; T133-I137 PolarHBondContact O-N 2.88Å; T133-I137 VanDerWaalsContact O-N 3.08Å; T133-F161 HydrophobicContact CG2-CE2 3.82Å; T133-F161 HydrophobicContact CG2-CZ 3.51Å; T133-I209 HydrophobicContact CG2-CD1 3.89Å; T133-Y242 PolarHBondContact OG1-OH 2.95Å
134	A	94.9	Very high	93.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-43.5	177.6	0	0	0	0	0	112.3	T95 L130 M131 L136 I137 H138 F204	T95-A134 HydrophobicContact CG2-CB 3.81Å; L130-A134 PolarHBondContact O-N 3.26Å; M131-A134 PolarHBondContact O-N 3.44Å; A134-L136 PolarHBondContact O-N 2.87Å; A134-I137 PolarHBondContact O-N 3.16Å; A134-H138 WeakPolarHBondContact O-CB 3.28Å; A134-H138 PolarHBondContact O-N 3.49Å; A134-F204 HydrophobicContact CB-CE2 4.01Å; A134-F204 HydrophobicContact CB-CZ 3.82Å
135	G	93.9	Very high	93.7	Very high	6 Å²	6	54.1 Å²	54.1	6%	0.062	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-40	176.9	0	0	0	0	0	113.1	M131 V132 H138 Y139	M131-G135 PolarHBondContact O-N 3.17Å; V132-G135 PolarHBondContact O-N 3.3Å; G135-H138 PolarHBondContact O-N 2.94Å; G135-Y139 WeakPolarHBondContact O-CB 3.45Å; G135-Y139 PolarHBondContact O-N 2.89Å
136	L	94.6	Very high	93.8	Very high	98 Å²	98	55.3 Å²	55.3	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-45	176.2	-179.8	63.7	0	0	0	111.6	V132 T133 A134 H138 Y139 I140	V132-L136 VanDerWaalsContact O-CB 3.25Å; V132-L136 WeakPolarHBondContact O-CB 3.23Å; V132-L136 PolarHBondContact O-N 2.81Å; T133-L136 PolarHBondContact O-N 3.49Å; A134-L136 PolarHBondContact O-N 2.87Å; L136-H138 VanDerWaalsContact C-N 3.32Å; L136-H138 PolarHBondContact O-N 3.3Å; L136-Y139 PolarHBondContact O-N 2.99Å; L136-I140 HydrophobicContact CD1-CD1 4.03Å; L136-I140 HydrophobicContact CD1-CG1 4.31Å; L136-I140 HydrophobicContact CG-CD1 3.91Å; L136-I140 VanDerWaalsContact O-CG1 3.3Å; L136-I140 WeakPolarHBondContact O-CG1 3.39Å; L136-I140 PolarHBondContact O-N 2.99Å
137	I	94.7	Very high	93.8	Very high	54 Å²	54	60.9 Å²	60.9	28%	0.277	32%	0.316	S	S	.	.	H	α-helix	trans	-60.4	-44.7	176.5	-69.8	166.1	0	0	0	110.2	T133 A134 I140 L141 V153 L157 F161	T133-I137 HydrophobicContact CG2-CD1 4.04Å; T133-I137 VanDerWaalsContact O-CG1 3.31Å; T133-I137 WeakPolarHBondContact O-CG1 3.47Å; T133-I137 PolarHBondContact O-N 2.88Å; T133-I137 VanDerWaalsContact O-N 3.08Å; A134-I137 PolarHBondContact O-N 3.16Å; I137-I140 PolarHBondContact O-N 3.43Å; I137-L141 HydrophobicContact CG2-CD1 3.71Å; I137-L141 WeakPolarHBondContact O-CB 3.15Å; I137-L141 WeakPolarHBondContact O-CD1 3.39Å; I137-L141 WeakPolarHBondContact O-CG 3.44Å; I137-L141 PolarHBondContact O-N 3.41Å; I137-V153 HydrophobicContact CB-CG1 4.28Å; I137-V153 HydrophobicContact CG2-CG1 3.89Å; I137-L157 HydrophobicContact CD1-CD1 3.45Å; I137-L157 VanDerWaalsContact CD1-CD1 3.45Å; I137-F161 HydrophobicContact CD1-CE2 4.31Å
138	H	94.9	Very high	93.8	Very high	30 Å²	30	61.2 Å²	61.2	14%	0.139	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-43.6	176.6	-179.2	65.3	0	0	0	112.3	A134 G135 L136 L141 N142 V148 I150 V153	A134-H138 WeakPolarHBondContact O-CB 3.28Å; A134-H138 PolarHBondContact O-N 3.49Å; G135-H138 PolarHBondContact O-N 2.94Å; L136-H138 VanDerWaalsContact C-N 3.32Å; L136-H138 PolarHBondContact O-N 3.3Å; H138-L141 PolarHBondContact O-N 3.49Å; H138-N142 PolarHBondContact CD2-ND2 2.97Å; H138-N142 PolarHBondContact CE1-ND2 3.11Å; H138-N142 PolarHBondContact NE2-ND2 3.33Å; H138-N142 WeakPolarHBondContact O-CB 3.48Å; H138-N142 VanDerWaalsContact O-CG 3.28Å; H138-N142 PolarHBondContact O-N 3.29Å; H138-N142 PolarHBondContact O-ND2 3.22Å; H138-V148 PolarHBondContact CE1-O 2.95Å; H138-V148 PolarHBondContact ND1-O 3.43Å; H138-I150 HydrophobicContact CB-CD1 3.76Å; H138-V153 HydrophobicContact CB-CG2 4.36Å
139	Y	93.8	Very high	93.7	Very high	154 Å²	154	65 Å²	65	60%	0.604	34%	0.337	S	S	*	.	H	α-helix	trans	-61.9	-44.7	176.6	-178.8	-99.3	0	0	0	112.2	G135 L136 N142 L143	G135-Y139 WeakPolarHBondContact O-CB 3.45Å; G135-Y139 PolarHBondContact O-N 2.89Å; L136-Y139 PolarHBondContact O-N 2.99Å; Y139-N142 PolarHBondContact O-N 2.94Å; Y139-L143 WeakPolarHBondContact O-CB 3.44Å; Y139-L143 PolarHBondContact O-N 2.92Å
140	I	95	Very high	93.8	Very high	81 Å²	81	65.1 Å²	65.1	42%	0.415	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-43.3	177.4	-68.3	168.5	0	0	0	111	L136 I137 L143 L144	L136-I140 HydrophobicContact CD1-CD1 4.03Å; L136-I140 HydrophobicContact CD1-CG1 4.31Å; L136-I140 HydrophobicContact CG-CD1 3.91Å; L136-I140 VanDerWaalsContact O-CG1 3.3Å; L136-I140 WeakPolarHBondContact O-CG1 3.39Å; L136-I140 PolarHBondContact O-N 2.99Å; I137-I140 PolarHBondContact O-N 3.43Å; I140-L143 WeakPolarHBondContact O-CB 3.48Å; I140-L143 PolarHBondContact O-N 3.39Å; I140-L144 HydrophobicContact CG2-CD1 4.26Å; I140-L144 WeakPolarHBondContact O-CG 3.12Å; I140-L144 PolarHBondContact O-N 2.96Å; I140-L144 VanDerWaalsContact O-N 3.09Å
141	L	93.6	Very high	93.7	Very high	50 Å²	50	69.6 Å²	69.6	26%	0.262	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-43.8	177.3	-79.4	159.7	0	0	0	112	I137 H138 L143 L144 H145 V146 V153	I137-L141 HydrophobicContact CG2-CD1 3.71Å; I137-L141 WeakPolarHBondContact O-CB 3.15Å; I137-L141 WeakPolarHBondContact O-CD1 3.39Å; I137-L141 WeakPolarHBondContact O-CG 3.44Å; I137-L141 PolarHBondContact O-N 3.41Å; H138-L141 PolarHBondContact O-N 3.49Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-L144 CarbonylContact O-C 3.58Å; L141-L144 PolarHBondContact O-N 2.93Å; L141-H145 PolarHBondContact O-N 2.7Å; L141-V146 CarbonylContact C-O 3.53Å; L141-V146 HydrophobicContact CD2-CB 4.22Å; L141-V146 HydrophobicContact CD2-CG1 4.14Å; L141-V146 PolarHBondContact O-N 2.99Å; L141-V153 HydrophobicContact CD1-CG2 4.21Å
142	N	92.4	Very high	93.7	Very high	60 Å²	60	71.8 Å²	71.8	32%	0.321	37%	0.365	S	S	.	.	H	α-helix	trans	-66.1	-36.8	176.4	-70.7	-23	0	0	0	112.1	H138 Y139 L144 H145	H138-N142 PolarHBondContact CD2-ND2 2.97Å; H138-N142 PolarHBondContact CE1-ND2 3.11Å; H138-N142 PolarHBondContact NE2-ND2 3.33Å; H138-N142 WeakPolarHBondContact O-CB 3.48Å; H138-N142 VanDerWaalsContact O-CG 3.28Å; H138-N142 PolarHBondContact O-N 3.29Å; H138-N142 PolarHBondContact O-ND2 3.22Å; Y139-N142 PolarHBondContact O-N 2.94Å; N142-L144 PolarHBondContact O-N 3.19Å; N142-H145 WeakPolarHBondContact O-CA 3.34Å; N142-H145 PolarHBondContact O-N 2.75Å
143	L	93.5	Very high	93.7	Very high	114 Å²	114	69.8 Å²	69.8	60%	0.597	35%	0.353	S	S	*	.	H	α-helix	trans	-60.8	-36.6	174.1	-170.6	76.2	0	0	0	111.5	Y139 I140 L141 H145	Y139-L143 WeakPolarHBondContact O-CB 3.44Å; Y139-L143 PolarHBondContact O-N 2.92Å; I140-L143 WeakPolarHBondContact O-CB 3.48Å; I140-L143 PolarHBondContact O-N 3.39Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L143-H145 PolarHBondContact O-N 3.42Å; L143-H145 PolarHBondContact O-ND1 3.33Å
144	L	93.9	Very high	93.6	Very high	120 Å²	120	68.9 Å²	68.9	63%	0.628	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	7.7	174.7	-63.7	173.9	0	0	0	113.5	I140 L141 N142 V146	I140-L144 HydrophobicContact CG2-CD1 4.26Å; I140-L144 WeakPolarHBondContact O-CG 3.12Å; I140-L144 PolarHBondContact O-N 2.96Å; I140-L144 VanDerWaalsContact O-N 3.09Å; L141-L144 CarbonylContact O-C 3.58Å; L141-L144 PolarHBondContact O-N 2.93Å; N142-L144 PolarHBondContact O-N 3.19Å; L144-V146 HydrophobicContact CB-CG2 4.48Å; L144-V146 PolarHBondContact O-N 2.95Å
145	H	93.1	Very high	93.5	Very high	167 Å²	167	68.9 Å²	68.9	77%	0.773	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	21.6	-177.1	-61.8	69.2	0	0	0	114.4	L141 N142 L143 T147	L141-H145 PolarHBondContact O-N 2.7Å; N142-H145 WeakPolarHBondContact O-CA 3.34Å; N142-H145 PolarHBondContact O-N 2.75Å; L143-H145 PolarHBondContact O-N 3.42Å; L143-H145 PolarHBondContact O-ND1 3.33Å; H145-T147 PolarHBondContact O-N 3.28Å
146	V	92.9	Very high	93.6	Very high	74 Å²	74	72 Å²	72	45%	0.448	36%	0.36	S	S	.	.			trans	-93.9	85.8	171.6	-177.6	0	0	0	0	107.4	L141 L144 V148	L141-V146 CarbonylContact C-O 3.53Å; L141-V146 HydrophobicContact CD2-CB 4.22Å; L141-V146 HydrophobicContact CD2-CG1 4.14Å; L141-V146 PolarHBondContact O-N 2.99Å; L144-V146 HydrophobicContact CB-CG2 4.48Å; L144-V146 PolarHBondContact O-N 2.95Å; V146-V148 HydrophobicContact CG1-CG2 3.9Å; V146-V148 PolarHBondContact O-N 3.45Å
147	T	91.1	Very high	93.5	Very high	129 Å²	129	67.7 Å²	67.7	79%	0.791	34%	0.337	S	S	*	.			trans	-74.2	85.9	-173.2	57.8	0	0	0	0	111.4	H145	H145-T147 PolarHBondContact O-N 3.28Å
148	V	92.7	Very high	93.5	Very high	47 Å²	47	65.5 Å²	65.5	29%	0.285	33%	0.327	S	S	.	.			trans	-103.6	133.3	177.4	175.2	0	0	0	0	109.4	H138 V146 D152 V153	H138-V148 PolarHBondContact CE1-O 2.95Å; H138-V148 PolarHBondContact ND1-O 3.43Å; V146-V148 HydrophobicContact CG1-CG2 3.9Å; V146-V148 PolarHBondContact O-N 3.45Å; V148-D152 HydrophobicContact CG1-CB 3.89Å; V148-V153 HydrophobicContact CG1-CG2 3.96Å
149	H	92.9	Very high	93.4	Very high	100 Å²	100	64.1 Å²	64.1	46%	0.463	32%	0.321	S	S	.	.			trans	-66.4	144.2	178.2	-173.3	-91.6	0	0	0	111.2	R151 D152 V153	H149-R151 VanDerWaalsContact ND1-CB 3.26Å; H149-R151 WeakPolarHBondContact ND1-CB 3.25Å; H149-R151 PolarHBondContact ND1-N 2.84Å; H149-R151 VanDerWaalsContact ND1-N 3.14Å; H149-R151 PolarHBondContact O-N 3.05Å; H149-R151 VanDerWaalsContact O-N 3.13Å; H149-D152 PolarHBondContact O-N 3.36Å; H149-V153 PolarHBondContact O-N 2.86Å
150	I	92.9	Very high	93.4	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-57.4	-33.8	-175.5	-173.2	55.9	0	0	0	113.3	Y92 T95 T99 H138 D152 V153 C154	Y92-I150 HydrophobicContact CE2-CG2 4.27Å; T95-I150 HydrophobicContact CG2-CD1 3.84Å; T95-I150 HydrophobicContact CG2-CG1 4Å; T99-I150 HydrophobicContact CG2-CD1 3.81Å; T99-I150 HydrophobicContact CG2-CG1 4.1Å; H138-I150 HydrophobicContact CB-CD1 3.76Å; I150-D152 VanDerWaalsContact C-N 3.3Å; I150-D152 PolarHBondContact O-N 2.94Å; I150-V153 HydrophobicContact CD1-CB 4.36Å; I150-V153 WeakPolarHBondContact O-CB 3.41Å; I150-V153 PolarHBondContact O-N 3.36Å; I150-C154 PolarHBondContact O-N 2.81Å; I150-C154 PolarHBondContact O-SG 3.31Å
151	R	93.3	Very high	93.4	Very high	97 Å²	97	57.1 Å²	57.1	37%	0.366	30%	0.297	S	S	.	.	H	α-helix	trans	-55.8	-43.4	175	-173	-176	64.7	-172.4	-1.2	112.3	Y92 H149 V153 C154 V155	Y92-R151 HydrophobicContact CE2-CB 3.82Å; Y92-R151 HydrophobicContact CE2-CG 4.18Å; H149-R151 VanDerWaalsContact ND1-CB 3.26Å; H149-R151 WeakPolarHBondContact ND1-CB 3.25Å; H149-R151 PolarHBondContact ND1-N 2.84Å; H149-R151 VanDerWaalsContact ND1-N 3.14Å; H149-R151 PolarHBondContact O-N 3.05Å; H149-R151 VanDerWaalsContact O-N 3.13Å; R151-V153 VanDerWaalsContact C-N 3.35Å; R151-C154 PolarHBondContact O-N 3.46Å; R151-V155 HydrophobicContact CG-CG2 4.44Å; R151-V155 VanDerWaalsContact O-CG2 3.28Å; R151-V155 WeakPolarHBondContact O-CG2 3.36Å; R151-V155 PolarHBondContact O-N 3.19Å
152	D	93.4	Very high	93.4	Very high	45 Å²	45	54.8 Å²	54.8	24%	0.241	29%	0.285	C	S	.	.	H	α-helix	trans	-72.7	-35.1	-175.9	-54	-28.1	0	0	0	110.2	V148 H149 I150 V155 F156	V148-D152 HydrophobicContact CG1-CB 3.89Å; H149-D152 PolarHBondContact O-N 3.36Å; I150-D152 VanDerWaalsContact C-N 3.3Å; I150-D152 PolarHBondContact O-N 2.94Å; D152-V155 PolarHBondContact O-N 3.48Å; D152-F156 HydrophobicContact CB-CD2 4.48Å; D152-F156 WeakPolarHBondContact O-CD2 3.49Å; D152-F156 PolarHBondContact O-N 3.01Å
153	V	94.1	Very high	93.5	Very high	12 Å²	12	52.4 Å²	52.4	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-47.1	170.4	-179.2	0	0	0	0	110.7	I137 H138 L141 V148 H149 I150 R151 V155 L157	I137-V153 HydrophobicContact CB-CG1 4.28Å; I137-V153 HydrophobicContact CG2-CG1 3.89Å; H138-V153 HydrophobicContact CB-CG2 4.36Å; L141-V153 HydrophobicContact CD1-CG2 4.21Å; V148-V153 HydrophobicContact CG1-CG2 3.96Å; H149-V153 PolarHBondContact O-N 2.86Å; I150-V153 HydrophobicContact CD1-CB 4.36Å; I150-V153 WeakPolarHBondContact O-CB 3.41Å; I150-V153 PolarHBondContact O-N 3.36Å; R151-V153 VanDerWaalsContact C-N 3.35Å; V153-V155 PolarHBondContact O-N 3Å; V153-L157 WeakPolarHBondContact O-CB 3.35Å; V153-L157 PolarHBondContact O-N 3.08Å
154	C	94.1	Very high	93.5	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-42.9	176.5	-70	0	0	0	0	112.5	Y92 I150 R151 F204	Y92-C154 HydrophobicContact CD2-CB 4.31Å; I150-C154 PolarHBondContact O-N 2.81Å; I150-C154 PolarHBondContact O-SG 3.31Å; R151-C154 PolarHBondContact O-N 3.46Å; C154-F204 HydrophobicContact CB-CB 4.44Å; C154-F204 HydrophobicContact CB-CD1 4.18Å; C154-F204 HydrophobicContact CB-CD2 3.83Å; C154-F204 HydrophobicContact CB-CE1 4.39Å; C154-F204 HydrophobicContact CB-CE2 4.01Å; C154-F204 HydrophobicContact CB-CG 3.91Å; C154-F204 HydrophobicContact CB-CZ 4.31Å; C154-F204 WeakPolarHBondContact O-CD2 3.34Å
155	V	93.6	Very high	93.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-41.4	-178.7	167.5	0	0	0	0	111.9	V76 I83 R151 D152 V153 G202	V76-V155 HydrophobicContact CG2-CG1 4.09Å; I83-V155 HydrophobicContact CG1-CG2 4.25Å; R151-V155 HydrophobicContact CG-CG2 4.44Å; R151-V155 VanDerWaalsContact O-CG2 3.28Å; R151-V155 WeakPolarHBondContact O-CG2 3.36Å; R151-V155 PolarHBondContact O-N 3.19Å; D152-V155 PolarHBondContact O-N 3.48Å; V153-V155 PolarHBondContact O-N 3Å; V155-G202 PolarHBondContact O-N 2.66Å
156	F	94.6	Very high	93.7	Very high	71 Å²	71	36.6 Å²	36.6	31%	0.311	20%	0.196	S	C	.	.	H	α-helix	trans	-93.9	0.3	-175.8	-65.1	-61.4	0	0	0	114.8	L73 V76 D152 P159 V160	L73-F156 HydrophobicContact CD2-CD1 4.07Å; L73-F156 HydrophobicContact CD2-CE1 3.77Å; V76-F156 HydrophobicContact CG1-CE1 4.34Å; V76-F156 HydrophobicContact CG1-CZ 4.2Å; D152-F156 HydrophobicContact CB-CD2 4.48Å; D152-F156 WeakPolarHBondContact O-CD2 3.49Å; D152-F156 PolarHBondContact O-N 3.01Å; F156-P159 WeakPolarHBondContact O-CD 3.46Å; F156-V160 WeakPolarHBondContact O-CG2 3.31Å; F156-V160 PolarHBondContact O-N 3.05Å
157	L	94	Very high	93.8	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-50.3	-179.6	-170.7	79	0	0	0	112.6	L130 I137 V153 V160 F161 F204 I209	L130-L157 HydrophobicContact CD1-CD2 3.53Å; I137-L157 HydrophobicContact CD1-CD1 3.45Å; I137-L157 VanDerWaalsContact CD1-CD1 3.45Å; V153-L157 WeakPolarHBondContact O-CB 3.35Å; V153-L157 PolarHBondContact O-N 3.08Å; L157-V160 PolarHBondContact O-N 3.32Å; L157-V160 VanDerWaalsContact O-N 3.15Å; L157-F161 HydrophobicContact CD1-CD2 3.93Å; L157-F161 HydrophobicContact CD1-CE2 3.66Å; L157-F161 HydrophobicContact CG-CD2 3.9Å; L157-F161 HydrophobicContact CG-CE2 4.08Å; L157-F161 WeakPolarHBondContact O-CD2 3.29Å; L157-F161 PolarHBondContact O-N 3.35Å; L157-F204 HydrophobicContact CB-CD2 4.34Å; L157-F204 HydrophobicContact CB-CE2 4.32Å; L157-F204 HydrophobicContact CD2-CD2 4.04Å; L157-F204 HydrophobicContact CD2-CE2 3.48Å; L157-F204 VanDerWaalsContact CD2-CE2 3.48Å; L157-I209 HydrophobicContact CD2-CD1 3.94Å; L157-I209 HydrophobicContact CD2-CG1 4.22Å
158	A	93	Very high	94	Very high	8 Å²	8	30.2 Å²	30.2	7%	0.066	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-43.7	-176	0	0	0	0	0	113.3	V160 F161 S162	A158-V160 PolarHBondContact O-N 3.43Å; A158-F161 PolarHBondContact O-N 2.99Å; A158-S162 PolarHBondContact O-N 3.48Å
159	P	93.9	Very high	94.2	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-56.8	-41	171.3	-28.5	34	0	0	0	114.7	F69 R72 F156 S162 G163 A201	F69-P159 HydrophobicContact CD2-CB 3.42Å; F69-P159 VanDerWaalsContact CD2-CB 3.42Å; F69-P159 HydrophobicContact CE2-CB 3.63Å; F69-P159 HydrophobicContact CG-CB 4.21Å; R72-P159 HydrophobicContact CB-CB 4.4Å; R72-P159 HydrophobicContact CB-CG 4.05Å; F156-P159 WeakPolarHBondContact O-CD 3.46Å; P159-S162 WeakPolarHBondContact O-CB 3.15Å; P159-S162 PolarHBondContact O-N 3.48Å; P159-G163 PolarHBondContact O-N 3.35Å; P159-A201 HydrophobicContact CG-CB 3.76Å
160	V	94.2	Very high	94.3	Very high	75 Å²	75	23.8 Å²	23.8	46%	0.455	12%	0.121	S	C	.	.	H	α-helix	trans	-65	-46.3	178	173.7	0	0	0	0	110.6	F69 F156 L157 A158 S162 G163 L164	F69-V160 HydrophobicContact CE2-CG2 4.07Å; F156-V160 WeakPolarHBondContact O-CG2 3.31Å; F156-V160 PolarHBondContact O-N 3.05Å; L157-V160 PolarHBondContact O-N 3.32Å; L157-V160 VanDerWaalsContact O-N 3.15Å; A158-V160 PolarHBondContact O-N 3.43Å; V160-S162 VanDerWaalsContact C-N 3.27Å; V160-S162 PolarHBondContact O-N 2.76Å; V160-G163 PolarHBondContact O-N 3.3Å; V160-L164 PolarHBondContact O-N 2.92Å
161	F	94.8	Very high	94.4	Very high	13 Å²	13	25 Å²	25	6%	0.057	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-28.4	177.4	-88.1	-95.5	0	0	0	112.9	T133 I137 L157 A158 G163 L164 T165 I209 F212	T133-F161 HydrophobicContact CG2-CE2 3.82Å; T133-F161 HydrophobicContact CG2-CZ 3.51Å; I137-F161 HydrophobicContact CD1-CE2 4.31Å; L157-F161 HydrophobicContact CD1-CD2 3.93Å; L157-F161 HydrophobicContact CD1-CE2 3.66Å; L157-F161 HydrophobicContact CG-CD2 3.9Å; L157-F161 HydrophobicContact CG-CE2 4.08Å; L157-F161 WeakPolarHBondContact O-CD2 3.29Å; L157-F161 PolarHBondContact O-N 3.35Å; A158-F161 PolarHBondContact O-N 2.99Å; F161-G163 PolarHBondContact O-N 2.87Å; F161-L164 HydrophobicContact CD1-CD1 4.21Å; F161-L164 HydrophobicContact CE1-CD1 4.25Å; F161-L164 HydrophobicContact CG-CD1 4.5Å; F161-L164 CarbonylContact O-C 3.51Å; F161-L164 WeakPolarHBondContact O-CB 3.49Å; F161-L164 PolarHBondContact O-N 2.91Å; F161-T165 PolarHBondContact O-N 3.43Å; F161-T165 PolarHBondContact O-OG1 3.43Å; F161-I209 HydrophobicContact CD1-CB 4.31Å; F161-I209 HydrophobicContact CD1-CG1 3.92Å; F161-I209 HydrophobicContact CD1-CG2 4.3Å; F161-I209 HydrophobicContact CD2-CG1 4.21Å; F161-I209 HydrophobicContact CE1-CB 4.46Å; F161-I209 HydrophobicContact CE1-CD1 4.42Å; F161-I209 HydrophobicContact CE1-CG1 4.01Å; F161-I209 HydrophobicContact CE1-CG2 4.08Å; F161-I209 HydrophobicContact CE2-CD1 4.44Å; F161-I209 HydrophobicContact CE2-CG1 4.3Å; F161-I209 HydrophobicContact CG-CG1 4.03Å; F161-I209 HydrophobicContact CZ-CD1 4.26Å; F161-I209 HydrophobicContact CZ-CG1 4.21Å; F161-F212 HydrophobicContact CD1-CB 4.11Å; F161-F212 AromaticContact CD1-CD1 3.72Å; F161-F212 HydrophobicContact CD1-CD1 3.72Å; F161-F212 HydrophobicContact CD1-CE1 4.46Å; F161-F212 HydrophobicContact CD1-CG 4.04Å; F161-F212 AromaticContact CE1-CD1 3.73Å; F161-F212 HydrophobicContact CE1-CD1 3.73Å; F161-F212 HydrophobicContact CE1-CE1 4.11Å; F161-F212 HydrophobicContact CE1-CG 4.48Å
162	S	93.4	Very high	94.5	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-41.3	171.4	-179.3	0	0	0	0	113.1	R72 A158 P159 V160 L164 T165 A166 Y195	R72-S162 VanDerWaalsContact CZ-CB 3.5Å; R72-S162 PolarHBondContact NE-OG 3.34Å; R72-S162 PolarHBondContact NH1-OG 3.41Å; R72-S162 PolarHBondContact NH2-OG 2.92Å; A158-S162 PolarHBondContact O-N 3.48Å; P159-S162 WeakPolarHBondContact O-CB 3.15Å; P159-S162 PolarHBondContact O-N 3.48Å; V160-S162 VanDerWaalsContact C-N 3.27Å; V160-S162 PolarHBondContact O-N 2.76Å; S162-L164 VanDerWaalsContact C-N 3.31Å; S162-L164 PolarHBondContact O-N 3.05Å; S162-T165 WeakPolarHBondContact O-CB 3.44Å; S162-T165 PolarHBondContact O-N 3.35Å; S162-A166 PolarHBondContact O-N 2.97Å; S162-Y195 WeakPolarHBondContact OG-CE1 3.5Å
163	G	93.6	Very high	94.6	Very high	9 Å²	9	18.4 Å²	18.4	9%	0.093	10%	0.1	C	C	.	.	H	α-helix	trans	-59.8	-43	172.8	0	0	0	0	0	111.9	P159 V160 F161 T165 A166 I167	P159-G163 PolarHBondContact O-N 3.35Å; V160-G163 PolarHBondContact O-N 3.3Å; F161-G163 PolarHBondContact O-N 2.87Å; G163-T165 VanDerWaalsContact C-N 3.33Å; G163-T165 PolarHBondContact O-N 3.26Å; G163-A166 WeakPolarHBondContact O-CB 3.44Å; G163-A166 PolarHBondContact O-N 3.06Å; G163-I167 WeakPolarHBondContact O-CG1 3.49Å; G163-I167 PolarHBondContact O-N 2.95Å; G163-I167 VanDerWaalsContact O-N 3.14Å
164	L	94.6	Very high	94.6	Very high	67 Å²	67	21.7 Å²	21.7	35%	0.351	11%	0.111	S	C	.	.	H	α-helix	trans	-64	-37.2	174.9	-60.4	178.7	0	0	0	112.3	V160 F161 S162 A166 I167 S168 F212	V160-L164 PolarHBondContact O-N 2.92Å; F161-L164 HydrophobicContact CD1-CD1 4.21Å; F161-L164 HydrophobicContact CE1-CD1 4.25Å; F161-L164 HydrophobicContact CG-CD1 4.5Å; F161-L164 CarbonylContact O-C 3.51Å; F161-L164 WeakPolarHBondContact O-CB 3.49Å; F161-L164 PolarHBondContact O-N 2.91Å; S162-L164 VanDerWaalsContact C-N 3.31Å; S162-L164 PolarHBondContact O-N 3.05Å; L164-A166 VanDerWaalsContact C-N 3.34Å; L164-A166 PolarHBondContact O-N 2.95Å; L164-I167 PolarHBondContact O-N 3.41Å; L164-S168 WeakPolarHBondContact O-CB 3.38Å; L164-S168 PolarHBondContact O-N 3.14Å; L164-F212 HydrophobicContact CB-CD2 3.63Å; L164-F212 HydrophobicContact CB-CE2 3.73Å; L164-F212 HydrophobicContact CB-CG 4.29Å; L164-F212 HydrophobicContact CB-CZ 4.44Å
165	T	95.5	Very high	94.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-40.1	173.5	-61.4	0	0	0	0	111.8	F161 S162 G163 S168 T169 I189 Y195 I211 F212	F161-T165 PolarHBondContact O-N 3.43Å; F161-T165 PolarHBondContact O-OG1 3.43Å; S162-T165 WeakPolarHBondContact O-CB 3.44Å; S162-T165 PolarHBondContact O-N 3.35Å; G163-T165 VanDerWaalsContact C-N 3.33Å; G163-T165 PolarHBondContact O-N 3.26Å; T165-S168 PolarHBondContact O-N 2.99Å; T165-T169 WeakPolarHBondContact O-CB 3.35Å; T165-T169 PolarHBondContact O-N 3.18Å; T165-T169 PolarHBondContact O-OG1 3.17Å; T165-I189 HydrophobicContact CG2-CD1 3.75Å; T165-I189 HydrophobicContact CG2-CG1 4.38Å; T165-Y195 HydrophobicContact CG2-CE1 4.04Å; T165-Y195 PolarHBondContact OG1-OH 2.93Å; T165-Y195 VanDerWaalsContact OG1-OH 3.1Å; T165-I211 HydrophobicContact CG2-CG2 3.86Å; T165-F212 WeakPolarHBondContact OG1-CA 3.39Å; T165-F212 WeakPolarHBondContact OG1-CB 3.24Å; T165-F212 PolarHBondContact OG1-N 2.98Å
166	A	95.3	Very high	94.3	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.017	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-44.1	175.7	0	0	0	0	0	111.5	S162 G163 L164 T169 F170 A186 I189	S162-A166 PolarHBondContact O-N 2.97Å; G163-A166 WeakPolarHBondContact O-CB 3.44Å; G163-A166 PolarHBondContact O-N 3.06Å; L164-A166 VanDerWaalsContact C-N 3.34Å; L164-A166 PolarHBondContact O-N 2.95Å; A166-T169 PolarHBondContact O-N 3.34Å; A166-F170 PolarHBondContact O-N 3.45Å; A166-A186 HydrophobicContact CB-CB 4.49Å; A166-A186 WeakPolarHBondContact O-CB 3.42Å; A166-I189 HydrophobicContact CB-CG2 4.14Å
167	I	95.5	Very high	94	Very high	67 Å²	67	21.4 Å²	21.4	34%	0.344	11%	0.109	S	C	.	.	H	α-helix	trans	-63	-44.9	175.2	-63.2	169.7	0	0	0	111	G163 L164 T169 F170 L171	G163-I167 WeakPolarHBondContact O-CG1 3.49Å; G163-I167 PolarHBondContact O-N 2.95Å; G163-I167 VanDerWaalsContact O-N 3.14Å; L164-I167 PolarHBondContact O-N 3.41Å; I167-T169 VanDerWaalsContact C-N 3.29Å; I167-T169 PolarHBondContact O-N 3.09Å; I167-F170 WeakPolarHBondContact O-CB 3.26Å; I167-F170 PolarHBondContact O-N 2.66Å; I167-L171 HydrophobicContact CG2-CD1 4.39Å; I167-L171 WeakPolarHBondContact O-CG 3.41Å; I167-L171 PolarHBondContact O-N 3.43Å
168	S	95.4	Very high	93.9	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-62.6	-37.7	178.2	-169.7	0	0	0	0	112.1	L164 T165 L171 L172 Q215 F216	L164-S168 WeakPolarHBondContact O-CB 3.38Å; L164-S168 PolarHBondContact O-N 3.14Å; T165-S168 PolarHBondContact O-N 2.99Å; S168-L171 PolarHBondContact O-N 3.33Å; S168-L172 WeakPolarHBondContact O-CB 3.47Å; S168-L172 PolarHBondContact O-N 3.04Å; S168-Q215 VanDerWaalsContact OG-C 3.24Å; S168-F216 WeakPolarHBondContact OG-CA 3.49Å; S168-F216 PolarHBondContact OG-N 3.37Å
169	T	95.8	Very high	93.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-70.2	-36.9	178.2	-59.3	0	0	0	0	111.7	T165 A166 I167 T173 A185 I189 Q215 M454	T165-T169 WeakPolarHBondContact O-CB 3.35Å; T165-T169 PolarHBondContact O-N 3.18Å; T165-T169 PolarHBondContact O-OG1 3.17Å; A166-T169 PolarHBondContact O-N 3.34Å; I167-T169 VanDerWaalsContact C-N 3.29Å; I167-T169 PolarHBondContact O-N 3.09Å; T169-T173 WeakPolarHBondContact O-CB 3.2Å; T169-T173 PolarHBondContact O-N 3.31Å; T169-T173 PolarHBondContact O-OG1 3.19Å; T169-A185 HydrophobicContact CG2-CB 4.01Å; T169-I189 HydrophobicContact CG2-CD1 4.33Å; T169-I189 HydrophobicContact CG2-CG2 4.13Å; T169-I189 WeakPolarHBondContact OG1-CD1 3.48Å; T169-Q215 PolarHBondContact OG1-NE2 2.99Å; T169-M454 HydrophobicContact CG2-CG 4.02Å
170	F	96.2	Very high	93.6	Very high	11 Å²	11	30.4 Å²	30.4	5%	0.048	16%	0.163	C	C	.	.	H	α-helix	trans	-56.4	-50.6	168.5	165.6	-102.3	0	0	0	111.5	L61 A166 I167 L172 T173 R174 G182 L183 A186	L61-F170 HydrophobicContact CD1-CD1 3.95Å; L61-F170 HydrophobicContact CD1-CD2 4.41Å; L61-F170 HydrophobicContact CD1-CE1 3.96Å; L61-F170 HydrophobicContact CD1-CE2 4.44Å; L61-F170 HydrophobicContact CD1-CG 4.19Å; L61-F170 HydrophobicContact CD1-CZ 4.21Å; L61-F170 HydrophobicContact CD2-CB 3.85Å; L61-F170 HydrophobicContact CD2-CD1 4.35Å; L61-F170 HydrophobicContact CD2-CD2 4.01Å; L61-F170 HydrophobicContact CD2-CG 3.82Å; A166-F170 PolarHBondContact O-N 3.45Å; I167-F170 WeakPolarHBondContact O-CB 3.26Å; I167-F170 PolarHBondContact O-N 2.66Å; F170-L172 PolarHBondContact O-N 3.49Å; F170-T173 PolarHBondContact O-N 2.87Å; F170-R174 VanDerWaalsContact O-CB 3.23Å; F170-R174 WeakPolarHBondContact O-CB 3.45Å; F170-R174 PolarHBondContact O-N 3Å; F170-G182 VanDerWaalsContact CD2-C 3.46Å; F170-L183 HydrophobicContact CD2-CD2 3.96Å; F170-L183 HydrophobicContact CD2-CG 4.3Å; F170-L183 HydrophobicContact CE2-CD2 3.75Å; F170-L183 HydrophobicContact CE2-CG 3.96Å; F170-A186 HydrophobicContact CB-CB 4.03Å
171	L	95.1	Very high	93.5	Very high	34 Å²	34	26.9 Å²	26.9	18%	0.178	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-44.9	-178	-69.4	174.1	0	0	0	112.2	I167 S168 E175 Y219	I167-L171 HydrophobicContact CG2-CD1 4.39Å; I167-L171 WeakPolarHBondContact O-CG 3.41Å; I167-L171 PolarHBondContact O-N 3.43Å; S168-L171 PolarHBondContact O-N 3.33Å; L171-E175 PolarHBondContact O-N 2.84Å; L171-Y219 HydrophobicContact CB-CD1 4.44Å; L171-Y219 HydrophobicContact CB-CD2 3.83Å; L171-Y219 HydrophobicContact CB-CE1 4.49Å; L171-Y219 HydrophobicContact CB-CE2 3.88Å; L171-Y219 HydrophobicContact CB-CG 4.12Å; L171-Y219 HydrophobicContact CD1-CE1 4.27Å
172	L	94.8	Very high	93.5	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-62.9	-48.5	177.9	178.8	55.9	0	0	0	111.5	S168 F170 R174 E175 V222 M454	S168-L172 WeakPolarHBondContact O-CB 3.47Å; S168-L172 PolarHBondContact O-N 3.04Å; F170-L172 PolarHBondContact O-N 3.49Å; L172-R174 VanDerWaalsContact C-N 3.34Å; L172-R174 PolarHBondContact O-N 3.34Å; L172-E175 PolarHBondContact O-N 3.37Å; L172-V222 HydrophobicContact CD1-CB 4.4Å; L172-V222 HydrophobicContact CD1-CG2 4.1Å; L172-M454 HydrophobicContact CD1-CE 4.48Å; L172-M454 HydrophobicContact CD2-CE 3.55Å; L172-M454 HydrophobicContact CD2-SD 3.57Å; L172-M454 VanDerWaalsContact CD2-SD 3.57Å; L172-M454 HydrophobicContact CG-CE 3.59Å; L172-M454 HydrophobicContact CG-SD 4.15Å
173	T	94.4	Very high	93.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-35.1	-176.8	-50.8	0	0	0	0	112	T169 F170 E175 L176 W177 A181 A185 M454	T169-T173 WeakPolarHBondContact O-CB 3.2Å; T169-T173 PolarHBondContact O-N 3.31Å; T169-T173 PolarHBondContact O-OG1 3.19Å; F170-T173 PolarHBondContact O-N 2.87Å; T173-E175 PolarHBondContact O-N 3.38Å; T173-L176 PolarHBondContact O-N 3.04Å; T173-L176 VanDerWaalsContact O-N 3.13Å; T173-W177 PolarHBondContact O-N 3.45Å; T173-W177 VanDerWaalsContact O-N 3.14Å; T173-A181 HydrophobicContact CG2-CB 4.07Å; T173-A185 HydrophobicContact CG2-CB 3.99Å; T173-A185 WeakPolarHBondContact OG1-CB 3.44Å; T173-M454 WeakPolarHBondContact OG1-CG 3.5Å
174	R	94.4	Very high	93.6	Very high	82 Å²	82	28.5 Å²	28.5	31%	0.309	15%	0.148	S	C	.	.	H	α-helix	trans	-62.1	-29.3	174.8	-174.1	-174.5	70.7	178	0.1	112.8	F170 L172 L176 Q179	F170-R174 VanDerWaalsContact O-CB 3.23Å; F170-R174 WeakPolarHBondContact O-CB 3.45Å; F170-R174 PolarHBondContact O-N 3Å; L172-R174 VanDerWaalsContact C-N 3.34Å; L172-R174 PolarHBondContact O-N 3.34Å; R174-L176 VanDerWaalsContact C-N 3.33Å; R174-Q179 HydrophobicContact CG-CG 4.09Å
175	E	92.3	Very high	93.7	Very high	15 Å²	15	25.3 Å²	25.3	7%	0.07	13%	0.132	C	C	.	.	H	α-helix	trans	-75.9	-22.5	176.9	-71.9	-66	165.9	0	0	113.2	L171 L172 T173 Y219 V222 K223 K226	L171-E175 PolarHBondContact O-N 2.84Å; L172-E175 PolarHBondContact O-N 3.37Å; T173-E175 PolarHBondContact O-N 3.38Å; E175-Y219 HydrophobicContact CG-CD2 4.24Å; E175-Y219 HydrophobicContact CG-CE2 3.92Å; E175-V222 HydrophobicContact CB-CG1 4.16Å; E175-K223 WeakPolarHBondContact OE1-CD 3.48Å; E175-K223 IonicContact OE1-NZ 2.75Å; E175-K223 PolarHBondContact OE1-NZ 2.94Å; E175-K223 IonicContact OE2-NZ 3.66Å; E175-K226 PolarHBondContact O-NZ 3.45Å; E175-K226 IonicContact OE2-NZ 3.57Å; E175-K226 PolarHBondContact OE2-NZ 3.28Å
176	L	89.1	Confident	93.7	Very high	9 Å²	9	25.3 Å²	25.3	5%	0.047	13%	0.132	C	C	.	.	H	α-helix	trans	-87.9	-37.7	-178.3	-59.1	170.5	0	0	0	113.2	T173 R174 E423 R424 V427 M454	T173-L176 PolarHBondContact O-N 3.04Å; T173-L176 VanDerWaalsContact O-N 3.13Å; R174-L176 VanDerWaalsContact C-N 3.33Å; L176-E423 HydrophobicContact CD2-CB 3.97Å; L176-E423 HydrophobicContact CD2-CG 3.65Å; L176-R424 PolarHBondContact O-NH2 2.7Å; L176-V427 HydrophobicContact CD1-CG2 3.56Å; L176-V427 HydrophobicContact CD2-CG2 3.56Å; L176-V427 HydrophobicContact CG-CG2 4.21Å; L176-M454 HydrophobicContact CD1-CE 3.43Å; L176-M454 VanDerWaalsContact CD1-CE 3.43Å
177	W	89.4	Confident	93.7	Very high	43 Å²	43	27.3 Å²	27.3	16%	0.163	15%	0.145	C	C	.	.	S	Bend	trans	-137.4	-128.3	-173.7	-145.4	-88.6	0	0	0	110.9	T173 A181 F415 R424 V458	T173-W177 PolarHBondContact O-N 3.45Å; T173-W177 VanDerWaalsContact O-N 3.14Å; W177-A181 HydrophobicContact CB-CB 4.17Å; W177-F415 HydrophobicContact CH2-CB 4.4Å; W177-R424 VanDerWaalsContact CZ3-CZ 3.4Å; W177-V458 HydrophobicContact CB-CG2 4.3Å; W177-V458 HydrophobicContact CD2-CG1 3.91Å; W177-V458 HydrophobicContact CE3-CG1 3.76Å; W177-V458 HydrophobicContact CG-CG1 4.45Å; W177-V458 HydrophobicContact CH2-CG1 4.36Å; W177-V458 HydrophobicContact CZ3-CG1 3.99Å
178	N	90.7	Very high	93.8	Very high	79 Å²	79	24.3 Å²	24.3	42%	0.422	13%	0.13	S	C	.	.			trans	-110.8	166.2	-177.2	-64.8	-18.3	0	0	0	111.5	G180 A181 G182	N178-G180 PolarHBondContact O-N 3.49Å; N178-A181 PolarHBondContact O-N 3.39Å; N178-G182 PolarHBondContact O-N 3.19Å
179	Q	90.1	Very high	93.8	Very high	84 Å²	84	24.2 Å²	24.2	39%	0.393	13%	0.129	S	C	.	.	H	α-helix	trans	-57.3	-34.4	175.3	-74.1	-177.2	-8.9	0	0	112.9	R174 G182 L183	R174-Q179 HydrophobicContact CG-CG 4.09Å; Q179-G182 PolarHBondContact O-N 3.44Å; Q179-G182 VanDerWaalsContact O-N 3.16Å; Q179-L183 WeakPolarHBondContact O-CG 3.49Å; Q179-L183 PolarHBondContact O-N 3.14Å
180	G	90.9	Very high	93.7	Very high	43 Å²	43	24.3 Å²	24.3	44%	0.443	13%	0.13	S	C	.	.	H	α-helix	trans	-60	-48.9	177.3	0	0	0	0	0	112.9	N178 G182 L183 L184	N178-G180 PolarHBondContact O-N 3.49Å; G180-G182 VanDerWaalsContact C-N 3.25Å; G180-G182 PolarHBondContact O-N 2.93Å; G180-L183 PolarHBondContact O-N 3.17Å; G180-L184 PolarHBondContact O-N 2.97Å
181	A	92.8	Very high	93.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-37.9	173.6	0	0	0	0	0	111.7	T173 W177 N178 L184 A185 A457 V458 S461	T173-A181 HydrophobicContact CG2-CB 4.07Å; W177-A181 HydrophobicContact CB-CB 4.17Å; N178-A181 PolarHBondContact O-N 3.39Å; A181-L184 PolarHBondContact O-N 3.13Å; A181-A185 WeakPolarHBondContact O-CB 3.46Å; A181-A185 PolarHBondContact O-N 3.32Å; A181-A457 WeakPolarHBondContact O-CB 3.48Å; A181-V458 HydrophobicContact CB-CG2 4.43Å; A181-S461 PolarHBondContact N-OG 3.49Å
182	G	94	Very high	93.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-46.3	176.1	0	0	0	0	0	113.6	F170 N178 Q179 G180 L184 A185 A186	F170-G182 VanDerWaalsContact CD2-C 3.46Å; N178-G182 PolarHBondContact O-N 3.19Å; Q179-G182 PolarHBondContact O-N 3.44Å; Q179-G182 VanDerWaalsContact O-N 3.16Å; G180-G182 VanDerWaalsContact C-N 3.25Å; G180-G182 PolarHBondContact O-N 2.93Å; G182-L184 VanDerWaalsContact C-N 3.34Å; G182-A185 PolarHBondContact O-N 3.14Å; G182-A186 PolarHBondContact O-N 3.19Å; G182-A186 VanDerWaalsContact O-N 3.1Å
183	L	95.2	Very high	93.7	Very high	27 Å²	27	23.6 Å²	23.6	14%	0.141	13%	0.126	C	C	.	.	H	α-helix	trans	-64.3	-42	178.7	-70.5	174.4	0	0	0	111	I60 L61 F170 Q179 G180 A186 C187	I60-L183 HydrophobicContact CB-CD2 4.3Å; I60-L183 HydrophobicContact CD1-CD1 4.18Å; I60-L183 HydrophobicContact CG2-CB 4.37Å; I60-L183 HydrophobicContact CG2-CD2 4.08Å; L61-L183 HydrophobicContact CD1-CD2 4.42Å; L61-L183 HydrophobicContact CD2-CD2 4.02Å; L61-L183 HydrophobicContact CG-CD2 3.82Å; F170-L183 HydrophobicContact CD2-CD2 3.96Å; F170-L183 HydrophobicContact CD2-CG 4.3Å; F170-L183 HydrophobicContact CE2-CD2 3.75Å; F170-L183 HydrophobicContact CE2-CG 3.96Å; Q179-L183 WeakPolarHBondContact O-CG 3.49Å; Q179-L183 PolarHBondContact O-N 3.14Å; G180-L183 PolarHBondContact O-N 3.17Å; L183-A186 PolarHBondContact O-N 3.16Å; L183-C187 PolarHBondContact O-N 3.28Å; L183-C187 PolarHBondContact O-SG 3.35Å; L183-C187 VanDerWaalsContact O-SG 3.34Å
184	L	94.8	Very high	93.5	Very high	30 Å²	30	23.6 Å²	23.6	16%	0.157	13%	0.126	C	C	.	.	H	α-helix	trans	-65.3	-41.3	178.4	-167.9	66.8	0	0	0	112	G180 A181 G182 A186 C187 F188 A457 F460 F464	G180-L184 PolarHBondContact O-N 2.97Å; A181-L184 PolarHBondContact O-N 3.13Å; G182-L184 VanDerWaalsContact C-N 3.34Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-A186 PolarHBondContact O-N 3.19Å; L184-C187 PolarHBondContact O-N 3.25Å; L184-F188 HydrophobicContact CD1-CE1 4.2Å; L184-F188 HydrophobicContact CD1-CE2 4.3Å; L184-F188 HydrophobicContact CD1-CZ 3.89Å; L184-F188 HydrophobicContact CD2-CE2 3.88Å; L184-F188 HydrophobicContact CD2-CZ 3.96Å; L184-F188 HydrophobicContact CG-CD2 4.22Å; L184-F188 HydrophobicContact CG-CE1 4.39Å; L184-F188 HydrophobicContact CG-CE2 3.63Å; L184-F188 HydrophobicContact CG-CZ 3.72Å; L184-F188 WeakPolarHBondContact O-CD2 3.5Å; L184-F188 WeakPolarHBondContact O-CG 3.37Å; L184-F188 PolarHBondContact O-N 3.42Å; L184-A457 HydrophobicContact CB-CB 4.15Å; L184-A457 HydrophobicContact CD2-CB 4.35Å; L184-A457 HydrophobicContact CG-CB 4.3Å; L184-F460 HydrophobicContact CD2-CB 3.35Å; L184-F460 HydrophobicContact CD2-CG 4.24Å; L184-F464 HydrophobicContact CD2-CE2 4.41Å
185	A	95.6	Very high	93.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.1	-39.3	175.9	0	0	0	0	0	112.4	T169 T173 A181 G182 F188 I189 A457	T169-A185 HydrophobicContact CG2-CB 4.01Å; T173-A185 HydrophobicContact CG2-CB 3.99Å; T173-A185 WeakPolarHBondContact OG1-CB 3.44Å; A181-A185 WeakPolarHBondContact O-CB 3.46Å; A181-A185 PolarHBondContact O-N 3.32Å; G182-A185 PolarHBondContact O-N 3.14Å; A185-F188 PolarHBondContact O-N 3.1Å; A185-I189 WeakPolarHBondContact O-CG2 3.23Å; A185-I189 PolarHBondContact O-N 3.36Å; A185-A457 HydrophobicContact CB-CB 3.62Å
186	A	96.1	Very high	93.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.1	-41.2	175.6	0	0	0	0	0	112.3	L61 A166 F170 G182 L183 L184 A190	L61-A186 HydrophobicContact CD2-CB 3.88Å; A166-A186 HydrophobicContact CB-CB 4.49Å; A166-A186 WeakPolarHBondContact O-CB 3.42Å; F170-A186 HydrophobicContact CB-CB 4.03Å; G182-A186 PolarHBondContact O-N 3.19Å; G182-A186 VanDerWaalsContact O-N 3.1Å; L183-A186 PolarHBondContact O-N 3.16Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-A186 PolarHBondContact O-N 3.19Å; A186-A190 WeakPolarHBondContact O-CB 3.48Å; A186-A190 PolarHBondContact O-N 2.88Å
187	C	95.9	Very high	93.5	Very high	44 Å²	44	20 Å²	20	30%	0.297	12%	0.115	S	C	.	.	H	α-helix	trans	-64.4	-39.6	174.7	-67.7	0	0	0	0	112.2	L183 L184	L183-C187 PolarHBondContact O-N 3.28Å; L183-C187 PolarHBondContact O-SG 3.35Å; L183-C187 VanDerWaalsContact O-SG 3.34Å; L184-C187 PolarHBondContact O-N 3.25Å
188	F	96.1	Very high	93.4	Very high	5 Å²	5	19.6 Å²	19.6	2%	0.022	11%	0.114	C	C	.	.	H	α-helix	trans	-65	-51.7	177.5	-69.7	-30.1	0	0	0	112.8	L184 A185 A190 I191 V192 L405 C453 A457 F460 L531 F534	L184-F188 HydrophobicContact CD1-CE1 4.2Å; L184-F188 HydrophobicContact CD1-CE2 4.3Å; L184-F188 HydrophobicContact CD1-CZ 3.89Å; L184-F188 HydrophobicContact CD2-CE2 3.88Å; L184-F188 HydrophobicContact CD2-CZ 3.96Å; L184-F188 HydrophobicContact CG-CD2 4.22Å; L184-F188 HydrophobicContact CG-CE1 4.39Å; L184-F188 HydrophobicContact CG-CE2 3.63Å; L184-F188 HydrophobicContact CG-CZ 3.72Å; L184-F188 WeakPolarHBondContact O-CD2 3.5Å; L184-F188 WeakPolarHBondContact O-CG 3.37Å; L184-F188 PolarHBondContact O-N 3.42Å; A185-F188 PolarHBondContact O-N 3.1Å; F188-A190 PolarHBondContact O-N 3.37Å; F188-I191 PolarHBondContact O-N 3.27Å; F188-V192 WeakPolarHBondContact O-CB 3.39Å; F188-V192 PolarHBondContact O-N 2.95Å; F188-L405 HydrophobicContact CD1-CD2 4.17Å; F188-L405 HydrophobicContact CD2-CD2 3.91Å; F188-L405 HydrophobicContact CE1-CD2 4.22Å; F188-L405 HydrophobicContact CE2-CD2 3.96Å; F188-L405 HydrophobicContact CG-CD2 4.02Å; F188-L405 HydrophobicContact CZ-CD2 4.13Å; F188-C453 HydrophobicContact CB-CB 4.12Å; F188-A457 HydrophobicContact CD2-CB 4.05Å; F188-A457 HydrophobicContact CE2-CB 4.1Å; F188-F460 AromaticContact CE2-CD2 3.97Å; F188-F460 HydrophobicContact CE2-CD2 3.97Å; F188-F460 AromaticContact CZ-CD2 3.79Å; F188-F460 HydrophobicContact CZ-CD2 3.79Å; F188-F460 HydrophobicContact CZ-CE2 4.13Å; F188-F460 HydrophobicContact CZ-CG 4.46Å; F188-L531 HydrophobicContact CE1-CD2 3.43Å; F188-L531 VanDerWaalsContact CE1-CD2 3.43Å; F188-L531 HydrophobicContact CZ-CD2 3.5Å; F188-F534 HydrophobicContact CD1-CD1 4.14Å; F188-F534 AromaticContact CD1-CE1 3.7Å; F188-F534 HydrophobicContact CD1-CE1 3.7Å; F188-F534 HydrophobicContact CD1-CZ 4.36Å; F188-F534 HydrophobicContact CE1-CD1 4.3Å; F188-F534 HydrophobicContact CE1-CE1 4.29Å
189	I	95.6	Very high	93.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-68.4	-23	-175.9	-162	166.4	0	0	0	113	T165 A166 T169 A185 I191 V192 Y195 P450 C453	T165-I189 HydrophobicContact CG2-CD1 3.75Å; T165-I189 HydrophobicContact CG2-CG1 4.38Å; A166-I189 HydrophobicContact CB-CG2 4.14Å; T169-I189 HydrophobicContact CG2-CD1 4.33Å; T169-I189 HydrophobicContact CG2-CG2 4.13Å; T169-I189 WeakPolarHBondContact OG1-CD1 3.48Å; A185-I189 WeakPolarHBondContact O-CG2 3.23Å; A185-I189 PolarHBondContact O-N 3.36Å; I189-I191 VanDerWaalsContact C-N 3.33Å; I189-I191 PolarHBondContact O-N 2.89Å; I189-V192 HydrophobicContact CG1-CG1 4.31Å; I189-Y195 HydrophobicContact CG1-CD1 4.35Å; I189-P450 HydrophobicContact CD1-CB 3.96Å; I189-P450 HydrophobicContact CD1-CG 4.2Å; I189-C453 HydrophobicContact CB-CB 4.3Å
190	A	95.2	Very high	93.6	Very high	2 Å²	2	12.2 Å²	12.2	2%	0.017	8%	0.078	C	C	.	.	H	α-helix	trans	-62.1	-40.4	176.9	0	0	0	0	0	112.3	A64 G68 R72 A186 F188	A64-A190 HydrophobicContact CB-CB 4.48Å; A64-A190 WeakPolarHBondContact O-CB 3.45Å; G68-A190 WeakPolarHBondContact CA-O 3.39Å; R72-A190 PolarHBondContact NH1-O 3.03Å; A186-A190 WeakPolarHBondContact O-CB 3.48Å; A186-A190 PolarHBondContact O-N 2.88Å; F188-A190 PolarHBondContact O-N 3.37Å
191	I	95.6	Very high	93.6	Very high	31 Å²	31	10.2 Å²	10.2	16%	0.159	6%	0.057	C	C	.	.	H	α-helix	trans	-111.3	-4.9	-172.7	63.9	171.8	0	0	0	114.6	A67 F188 I189 P193 I196 F534 A535 C538	A67-I191 HydrophobicContact CB-CG2 4.41Å; F188-I191 PolarHBondContact O-N 3.27Å; I189-I191 VanDerWaalsContact C-N 3.33Å; I189-I191 PolarHBondContact O-N 2.89Å; I191-P193 WeakPolarHBondContact O-CD 3.28Å; I191-I196 WeakPolarHBondContact O-CD1 3.36Å; I191-F534 HydrophobicContact CD1-CD1 4.12Å; I191-F534 HydrophobicContact CD1-CE1 3.79Å; I191-F534 HydrophobicContact CG1-CE1 3.88Å; I191-F534 HydrophobicContact CG1-CZ 4.49Å; I191-A535 HydrophobicContact CD1-CB 4.21Å; I191-C538 HydrophobicContact CB-CB 4.41Å; I191-C538 HydrophobicContact CD1-CB 4.37Å; I191-C538 HydrophobicContact CG1-CB 4.41Å; I191-C538 WeakPolarHBondContact O-CB 3.17Å
192	V	95.4	Very high	93.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.057	C	C	.	.			trans	-62.4	126	-175.4	65.5	0	0	0	0	112.5	F188 I189 G194 Y195 I196 L402 L405 T449	F188-V192 WeakPolarHBondContact O-CB 3.39Å; F188-V192 PolarHBondContact O-N 2.95Å; I189-V192 HydrophobicContact CG1-CG1 4.31Å; V192-G194 VanDerWaalsContact C-N 3.35Å; V192-G194 PolarHBondContact O-N 3.48Å; V192-Y195 PolarHBondContact O-N 2.84Å; V192-I196 WeakPolarHBondContact O-CG1 3.49Å; V192-I196 PolarHBondContact O-N 2.94Å; V192-I196 VanDerWaalsContact O-N 3.16Å; V192-L402 HydrophobicContact CG2-CD2 3.9Å; V192-L405 HydrophobicContact CG2-CD1 4.11Å; V192-T449 HydrophobicContact CB-CG2 4.19Å; V192-T449 HydrophobicContact CG1-CG2 3.35Å; V192-T449 HydrophobicContact CG2-CG2 3.74Å
193	P	94	Very high	93.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.2	-37.5	-176.2	-26.6	32.4	0	0	0	114.4	I191 Y195 I196 S197 D401 C538 V541 Y546	I191-P193 WeakPolarHBondContact O-CD 3.28Å; P193-Y195 PolarHBondContact O-N 2.82Å; P193-I196 PolarHBondContact O-N 3.28Å; P193-S197 PolarHBondContact O-N 3.21Å; P193-D401 VanDerWaalsContact CD-O 3.29Å; P193-D401 WeakPolarHBondContact CD-O 3.05Å; P193-C538 WeakPolarHBondContact CD-SG 3.42Å; P193-C538 HydrophobicContact CG-CB 4.13Å; P193-V541 HydrophobicContact CB-CB 4.28Å; P193-V541 HydrophobicContact CB-CG1 3.7Å; P193-V541 HydrophobicContact CG-CB 4.1Å; P193-V541 HydrophobicContact CG-CG1 4.07Å; P193-Y546 HydrophobicContact CB-CD2 4.37Å; P193-Y546 HydrophobicContact CB-CE2 3.83Å
194	G	90.4	Very high	93	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.01	5%	0.051	C	C	.	.	H	α-helix	trans	-55.2	-36.3	178.8	0	0	0	0	0	113.3	V192 S197 D401	V192-G194 VanDerWaalsContact C-N 3.35Å; V192-G194 PolarHBondContact O-N 3.48Å; G194-S197 PolarHBondContact O-OG 3.02Å; G194-D401 PolarHBondContact N-O 3.35Å
195	Y	93.6	Very high	92.8	Very high	3 Å²	3	8.2 Å²	8.2	1%	0.012	5%	0.046	C	C	.	.	H	α-helix	trans	-83.7	-35.2	174.5	-178.5	-133.6	0	0	0	112.7	S162 T165 I189 V192 P193 S197 S199 G208 I211 L446	S162-Y195 WeakPolarHBondContact OG-CE1 3.5Å; T165-Y195 HydrophobicContact CG2-CE1 4.04Å; T165-Y195 PolarHBondContact OG1-OH 2.93Å; T165-Y195 VanDerWaalsContact OG1-OH 3.1Å; I189-Y195 HydrophobicContact CG1-CD1 4.35Å; V192-Y195 PolarHBondContact O-N 2.84Å; P193-Y195 PolarHBondContact O-N 2.82Å; Y195-S197 VanDerWaalsContact C-N 3.3Å; Y195-S197 PolarHBondContact O-N 3.34Å; Y195-S199 WeakPolarHBondContact O-CB 3.29Å; Y195-S199 PolarHBondContact O-N 3.45Å; Y195-S199 PolarHBondContact O-OG 3.36Å; Y195-G208 PolarHBondContact OH-O 3.34Å; Y195-I211 HydrophobicContact CD2-CB 4.34Å; Y195-I211 HydrophobicContact CD2-CG1 4.17Å; Y195-I211 HydrophobicContact CD2-CG2 4.21Å; Y195-I211 HydrophobicContact CE2-CB 3.65Å; Y195-I211 HydrophobicContact CE2-CG1 3.79Å; Y195-I211 HydrophobicContact CE2-CG2 3.83Å; Y195-L446 HydrophobicContact CD2-CD1 3.83Å
196	I	93.3	Very high	92.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.5	-34.8	179.7	-68.3	169.9	0	0	0	112.1	R72 I191 V192 P193 R198 S199 V200 T542	R72-I196 HydrophobicContact CG-CG1 4.49Å; R72-I196 HydrophobicContact CG-CG2 4.33Å; I191-I196 WeakPolarHBondContact O-CD1 3.36Å; V192-I196 WeakPolarHBondContact O-CG1 3.49Å; V192-I196 PolarHBondContact O-N 2.94Å; V192-I196 VanDerWaalsContact O-N 3.16Å; P193-I196 PolarHBondContact O-N 3.28Å; I196-R198 PolarHBondContact O-N 3.33Å; I196-S199 WeakPolarHBondContact CA-OG 3.32Å; I196-S199 CarbonylContact O-C 3.51Å; I196-S199 PolarHBondContact O-N 3.09Å; I196-V200 PolarHBondContact O-N 3.4Å; I196-V200 VanDerWaalsContact O-N 3.11Å; I196-T542 HydrophobicContact CD1-CG2 4.4Å; I196-T542 HydrophobicContact CG2-CG2 3.61Å
197	S	89.2	Confident	92.1	Very high	26 Å²	26	9.6 Å²	9.6	18%	0.182	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-37.7	-178.1	67	0	0	0	0	114	P193 G194 Y195	P193-S197 PolarHBondContact O-N 3.21Å; G194-S197 PolarHBondContact O-OG 3.02Å; Y195-S197 VanDerWaalsContact C-N 3.3Å; Y195-S197 PolarHBondContact O-N 3.34Å
198	R	87.9	Confident	91.4	Very high	35 Å²	35	7.6 Å²	7.6	13%	0.132	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	18.3	177.9	-60.9	-166	-178.2	-114.2	-10.9	114.2	I196 E207 E389 L446	I196-R198 PolarHBondContact O-N 3.33Å; R198-E207 HydrophobicContact CB-CB 4.37Å; R198-E389 IonicContact CZ-OE1 2.66Å; R198-E389 IonicContact CZ-OE2 3.8Å; R198-E389 IonicContact NH1-OE1 2.61Å; R198-E389 PolarHBondContact NH1-OE1 2.67Å; R198-E389 IonicContact NH1-OE2 3.7Å; R198-E389 IonicContact NH2-OE1 3.24Å; R198-E389 PolarHBondContact NH2-OE1 2.92Å; R198-E389 IonicContact NH2-OE2 3.64Å; R198-L446 HydrophobicContact CB-CD1 4.33Å
199	S	92	Very high	91.2	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	18.7	176.1	64.5	0	0	0	0	113.1	R72 Y195 I196	R72-S199 WeakPolarHBondContact CD-O 3.47Å; R72-S199 PolarHBondContact NE-O 3.49Å; R72-S199 PolarHBondContact NE-OG 3.35Å; R72-S199 PolarHBondContact NH2-OG 2.93Å; R72-S199 VanDerWaalsContact NH2-OG 3.14Å; Y195-S199 WeakPolarHBondContact O-CB 3.29Å; Y195-S199 PolarHBondContact O-N 3.45Å; Y195-S199 PolarHBondContact O-OG 3.36Å; I196-S199 WeakPolarHBondContact CA-OG 3.32Å; I196-S199 CarbonylContact O-C 3.51Å; I196-S199 PolarHBondContact O-N 3.09Å
200	V	92	Very high	91.1	Very high	9 Å²	9	7.4 Å²	7.4	6%	0.055	4%	0.04	C	C	.	.	S	Bend	trans	-64.3	148.1	173.8	70.4	0	0	0	0	110.6	R72 A75 I196 G202 S203	R72-V200 WeakPolarHBondContact O-CG2 3.26Å; A75-V200 HydrophobicContact CB-CG2 4.17Å; I196-V200 PolarHBondContact O-N 3.4Å; I196-V200 VanDerWaalsContact O-N 3.11Å; V200-G202 PolarHBondContact O-N 3Å; V200-S203 PolarHBondContact O-N 3.19Å
201	A	91.4	Very high	91	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	130.9	174.5	0	0	0	0	0	110	R72 L73 V76 P159	R72-A201 VanDerWaalsContact O-CB 3.26Å; R72-A201 WeakPolarHBondContact O-CB 3.41Å; R72-A201 PolarHBondContact O-N 3.5Å; L73-A201 HydrophobicContact CD2-CB 3.97Å; V76-A201 HydrophobicContact CG2-CB 3.62Å; P159-A201 HydrophobicContact CG-CB 3.76Å
202	G	87.2	Confident	91	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	-18.7	-173.1	0	0	0	0	0	114.8	I82 I83 H84 V155 V200 F204	I82-G202 WeakPolarHBondContact O-CA 3.25Å; I83-G202 WeakPolarHBondContact CA-O 3.44Å; H84-G202 PolarHBondContact N-O 3.44Å; V155-G202 PolarHBondContact O-N 2.66Å; V200-G202 PolarHBondContact O-N 3Å; G202-F204 PolarHBondContact O-N 3.16Å
203	S	89.9	Confident	91	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.014	4%	0.039	C	C	.	.			trans	-86.2	92	169.6	-176.6	0	0	0	0	109.5	V200 D205	V200-S203 PolarHBondContact O-N 3.19Å; S203-D205 VanDerWaalsContact C-N 3.31Å; S203-D205 PolarHBondContact O-N 3.45Å
204	F	92.4	Very high	91	Very high	3 Å²	3	7.6 Å²	7.6	1%	0.013	4%	0.039	C	C	.	.			trans	-90.9	64.1	178.5	-175.7	-112.2	0	0	0	110.8	P88 N91 T95 L130 A134 C154 L157 G202	P88-F204 HydrophobicContact CB-CB 4.08Å; P88-F204 WeakPolarHBondContact CB-O 3.33Å; N91-F204 HydrophobicContact CB-CD1 3.5Å; N91-F204 VanDerWaalsContact CB-CD1 3.5Å; N91-F204 HydrophobicContact CB-CE1 3.57Å; N91-F204 PolarHBondContact ND2-O 2.88Å; T95-F204 WeakPolarHBondContact OG1-CE1 3.41Å; L130-F204 HydrophobicContact CD1-CD2 4.21Å; L130-F204 HydrophobicContact CD1-CE2 3.69Å; L130-F204 HydrophobicContact CD1-CZ 3.94Å; L130-F204 HydrophobicContact CD2-CD1 4.13Å; L130-F204 HydrophobicContact CD2-CD2 4.44Å; L130-F204 HydrophobicContact CD2-CE1 3.85Å; L130-F204 HydrophobicContact CD2-CE2 4.23Å; L130-F204 HydrophobicContact CD2-CG 4.42Å; L130-F204 HydrophobicContact CD2-CZ 3.91Å; L130-F204 HydrophobicContact CG-CE1 4.02Å; L130-F204 HydrophobicContact CG-CE2 3.88Å; L130-F204 HydrophobicContact CG-CZ 3.58Å; A134-F204 HydrophobicContact CB-CE2 4.01Å; A134-F204 HydrophobicContact CB-CZ 3.82Å; C154-F204 HydrophobicContact CB-CB 4.44Å; C154-F204 HydrophobicContact CB-CD1 4.18Å; C154-F204 HydrophobicContact CB-CD2 3.83Å; C154-F204 HydrophobicContact CB-CE1 4.39Å; C154-F204 HydrophobicContact CB-CE2 4.01Å; C154-F204 HydrophobicContact CB-CG 3.91Å; C154-F204 HydrophobicContact CB-CZ 4.31Å; C154-F204 WeakPolarHBondContact O-CD2 3.34Å; L157-F204 HydrophobicContact CB-CD2 4.34Å; L157-F204 HydrophobicContact CB-CE2 4.32Å; L157-F204 HydrophobicContact CD2-CD2 4.04Å; L157-F204 HydrophobicContact CD2-CE2 3.48Å; L157-F204 VanDerWaalsContact CD2-CE2 3.48Å; G202-F204 PolarHBondContact O-N 3.16Å
205	D	90.3	Very high	91.2	Very high	10 Å²	10	7.5 Å²	7.5	5%	0.053	4%	0.039	C	C	.	.			trans	-107.4	162.8	176.3	-152.5	-0.2	0	0	0	112.2	P88 S203 E207 G208	P88-D205 HydrophobicContact CG-CB 4.39Å; S203-D205 VanDerWaalsContact C-N 3.31Å; S203-D205 PolarHBondContact O-N 3.45Å; D205-E207 PolarHBondContact O-N 3.28Å; D205-E207 VanDerWaalsContact OD2-OE2 3.06Å; D205-G208 PolarHBondContact O-N 3.2Å
206	N	89.6	Confident	91.4	Very high	26 Å²	26	10.6 Å²	10.6	14%	0.139	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-30.7	-173.5	-63	-54.5	0	0	0	112.3	L130 G208 I209 A210	L130-N206 WeakPolarHBondContact CB-OD1 3.07Å; L130-N206 WeakPolarHBondContact CD2-OD1 3.39Å; N206-G208 PolarHBondContact O-N 3.36Å; N206-I209 PolarHBondContact O-N 2.93Å; N206-A210 WeakPolarHBondContact O-CB 3.17Å; N206-A210 PolarHBondContact O-N 2.94Å
207	E	86.6	Confident	91.5	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.014	5%	0.052	C	C	.	.	H	α-helix	trans	-53.3	-36.4	179.8	-81.1	79	175.9	0	0	113.1	R198 D205 I209 A210 I211 R443 L446	R198-E207 HydrophobicContact CB-CB 4.37Å; D205-E207 PolarHBondContact O-N 3.28Å; D205-E207 VanDerWaalsContact OD2-OE2 3.06Å; E207-I209 PolarHBondContact O-N 3.29Å; E207-A210 PolarHBondContact O-N 3.22Å; E207-I211 PolarHBondContact O-N 3.15Å; E207-R443 IonicContact OE1-CZ 3.72Å; E207-R443 IonicContact OE1-NE 2.8Å; E207-R443 PolarHBondContact OE1-NE 3.44Å; E207-R443 VanDerWaalsContact OE1-NE 3.13Å; E207-R443 IonicContact OE1-NH2 3.81Å; E207-R443 PolarHBondContact OE1-NH2 2.95Å; E207-L446 HydrophobicContact CB-CD2 3.59Å; E207-L446 HydrophobicContact CG-CD2 3.39Å
208	G	82.3	Confident	91.8	Very high	3 Å²	3	9.3 Å²	9.3	3%	0.031	4%	0.043	C	C	.	.	H	α-helix	trans	-62.7	-38.9	-177.7	0	0	0	0	0	113.4	Y195 D205 N206	Y195-G208 PolarHBondContact OH-O 3.34Å; D205-G208 PolarHBondContact O-N 3.2Å; N206-G208 PolarHBondContact O-N 3.36Å
209	I	92.3	Very high	92.2	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.01	4%	0.041	C	C	.	.	H	α-helix	trans	-83	-36.7	173.2	-65.5	-175.2	0	0	0	110.7	L130 T133 L157 F161 N206 E207 I211 F212 A213 Y242 A246	L130-I209 HydrophobicContact CD1-CD1 3.49Å; L130-I209 VanDerWaalsContact CD1-CD1 3.49Å; L130-I209 HydrophobicContact CD1-CG1 3.98Å; T133-I209 HydrophobicContact CG2-CD1 3.89Å; L157-I209 HydrophobicContact CD2-CD1 3.94Å; L157-I209 HydrophobicContact CD2-CG1 4.22Å; F161-I209 HydrophobicContact CD1-CB 4.31Å; F161-I209 HydrophobicContact CD1-CG1 3.92Å; F161-I209 HydrophobicContact CD1-CG2 4.3Å; F161-I209 HydrophobicContact CD2-CG1 4.21Å; F161-I209 HydrophobicContact CE1-CB 4.46Å; F161-I209 HydrophobicContact CE1-CD1 4.42Å; F161-I209 HydrophobicContact CE1-CG1 4.01Å; F161-I209 HydrophobicContact CE1-CG2 4.08Å; F161-I209 HydrophobicContact CE2-CD1 4.44Å; F161-I209 HydrophobicContact CE2-CG1 4.3Å; F161-I209 HydrophobicContact CG-CG1 4.03Å; F161-I209 HydrophobicContact CZ-CD1 4.26Å; F161-I209 HydrophobicContact CZ-CG1 4.21Å; N206-I209 PolarHBondContact O-N 2.93Å; E207-I209 PolarHBondContact O-N 3.29Å; I209-I211 VanDerWaalsContact C-N 3.32Å; I209-I211 PolarHBondContact O-N 3.3Å; I209-F212 WeakPolarHBondContact O-CB 3.24Å; I209-F212 PolarHBondContact O-N 3Å; I209-F212 VanDerWaalsContact O-N 3.16Å; I209-A213 PolarHBondContact O-N 3.03Å; I209-Y242 HydrophobicContact CG2-CE1 3.64Å; I209-Y242 WeakPolarHBondContact CG2-OH 3.47Å; I209-A246 HydrophobicContact CG2-CB 4.2Å
210	A	92.3	Very high	92.4	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-58.6	-41.4	-172.1	0	0	0	0	0	112.9	N206 E207 A213 L214 M243 W247	N206-A210 WeakPolarHBondContact O-CB 3.17Å; N206-A210 PolarHBondContact O-N 2.94Å; E207-A210 PolarHBondContact O-N 3.22Å; A210-A213 PolarHBondContact O-N 2.83Å; A210-L214 WeakPolarHBondContact O-CB 3.32Å; A210-L214 PolarHBondContact O-N 2.84Å; A210-M243 HydrophobicContact CB-SD 4.42Å; A210-W247 HydrophobicContact CB-CB 3.52Å; A210-W247 HydrophobicContact CB-CD2 3.82Å; A210-W247 HydrophobicContact CB-CE3 3.72Å; A210-W247 HydrophobicContact CB-CG 3.75Å
211	I	93.8	Very high	92.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-68.2	-37	-179.9	-60.6	-58.2	0	0	0	111.8	T165 Y195 E207 I209 Q215 L446 P450	T165-I211 HydrophobicContact CG2-CG2 3.86Å; Y195-I211 HydrophobicContact CD2-CB 4.34Å; Y195-I211 HydrophobicContact CD2-CG1 4.17Å; Y195-I211 HydrophobicContact CD2-CG2 4.21Å; Y195-I211 HydrophobicContact CE2-CB 3.65Å; Y195-I211 HydrophobicContact CE2-CG1 3.79Å; Y195-I211 HydrophobicContact CE2-CG2 3.83Å; E207-I211 PolarHBondContact O-N 3.15Å; I209-I211 VanDerWaalsContact C-N 3.32Å; I209-I211 PolarHBondContact O-N 3.3Å; I211-Q215 HydrophobicContact CG2-CG 4.47Å; I211-Q215 WeakPolarHBondContact O-CB 3.06Å; I211-Q215 VanDerWaalsContact O-CG 3.32Å; I211-Q215 WeakPolarHBondContact O-CG 3.24Å; I211-Q215 PolarHBondContact O-N 3.39Å; I211-L446 HydrophobicContact CD1-CD2 3.83Å; I211-L446 HydrophobicContact CD1-CG 3.79Å; I211-L446 HydrophobicContact CG1-CD1 4.42Å; I211-L446 HydrophobicContact CG1-CD2 3.81Å; I211-L446 HydrophobicContact CG1-CG 3.88Å; I211-P450 HydrophobicContact CG2-CG 3.87Å
212	F	95.1	Very high	92.8	Very high	36 Å²	36	8.9 Å²	8.9	16%	0.158	4%	0.042	C	C	.	.	H	α-helix	trans	-59.9	-52.8	171	162.9	-108.6	0	0	0	110.7	F161 L164 T165 I209 L214 Q215 F216 Y242	F161-F212 HydrophobicContact CD1-CB 4.11Å; F161-F212 AromaticContact CD1-CD1 3.72Å; F161-F212 HydrophobicContact CD1-CD1 3.72Å; F161-F212 HydrophobicContact CD1-CE1 4.46Å; F161-F212 HydrophobicContact CD1-CG 4.04Å; F161-F212 AromaticContact CE1-CD1 3.73Å; F161-F212 HydrophobicContact CE1-CD1 3.73Å; F161-F212 HydrophobicContact CE1-CE1 4.11Å; F161-F212 HydrophobicContact CE1-CG 4.48Å; L164-F212 HydrophobicContact CB-CD2 3.63Å; L164-F212 HydrophobicContact CB-CE2 3.73Å; L164-F212 HydrophobicContact CB-CG 4.29Å; L164-F212 HydrophobicContact CB-CZ 4.44Å; T165-F212 WeakPolarHBondContact OG1-CA 3.39Å; T165-F212 WeakPolarHBondContact OG1-CB 3.24Å; T165-F212 PolarHBondContact OG1-N 2.98Å; I209-F212 WeakPolarHBondContact O-CB 3.24Å; I209-F212 PolarHBondContact O-N 3Å; I209-F212 VanDerWaalsContact O-N 3.16Å; F212-L214 VanDerWaalsContact C-N 3.3Å; F212-L214 PolarHBondContact O-N 3.48Å; F212-Q215 PolarHBondContact O-N 3.43Å; F212-F216 HydrophobicContact CE2-CB 4.4Å; F212-F216 WeakPolarHBondContact O-CB 3.4Å; F212-F216 PolarHBondContact O-N 2.92Å; F212-Y242 HydrophobicContact CD1-CE1 4.47Å; F212-Y242 HydrophobicContact CE1-CE1 4.45Å
213	A	95.3	Very high	93.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.3	-39.2	-178.3	0	0	0	0	0	111.9	I209 A210 F216 T217 Y242 M243	I209-A213 PolarHBondContact O-N 3.03Å; A210-A213 PolarHBondContact O-N 2.83Å; A213-F216 PolarHBondContact O-N 3.5Å; A213-T217 VanDerWaalsContact O-CB 3.3Å; A213-T217 WeakPolarHBondContact O-CB 3.38Å; A213-T217 PolarHBondContact O-N 3.34Å; A213-T217 PolarHBondContact O-OG1 3.34Å; A213-Y242 HydrophobicContact CB-CD1 3.79Å; A213-Y242 HydrophobicContact CB-CE1 4.03Å; A213-M243 HydrophobicContact CB-CB 4.12Å; A213-M243 HydrophobicContact CB-SD 3.77Å
214	L	94.9	Very high	93.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.5	-51.9	176.4	-179.3	148.2	0	0	0	111.7	A210 F212 F216 T217 Y218 M243 F252 I253	A210-L214 WeakPolarHBondContact O-CB 3.32Å; A210-L214 PolarHBondContact O-N 2.84Å; F212-L214 VanDerWaalsContact C-N 3.3Å; F212-L214 PolarHBondContact O-N 3.48Å; L214-F216 VanDerWaalsContact C-N 3.3Å; L214-F216 PolarHBondContact O-N 3.44Å; L214-T217 PolarHBondContact O-N 2.78Å; L214-Y218 HydrophobicContact CD1-CE2 4.49Å; L214-Y218 HydrophobicContact CD2-CD2 3.69Å; L214-Y218 HydrophobicContact CD2-CE2 3.38Å; L214-Y218 HydrophobicContact CG-CD2 4.3Å; L214-Y218 HydrophobicContact CG-CE2 3.82Å; L214-Y218 PolarHBondContact O-N 3.31Å; L214-M243 HydrophobicContact CB-CE 3.89Å; L214-M243 HydrophobicContact CB-SD 4.4Å; L214-M243 HydrophobicContact CD1-CE 4.07Å; L214-M243 HydrophobicContact CG-CE 4.48Å; L214-F252 HydrophobicContact CD1-CD1 4.31Å; L214-I253 HydrophobicContact CB-CD1 4.47Å; L214-I253 HydrophobicContact CG-CD1 4.33Å
215	Q	94.5	Very high	93.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.5	-37.8	179.2	-70.4	-67.7	92	0	0	111.9	S168 T169 I211 F212 Y218 Y219 P450	S168-Q215 VanDerWaalsContact OG-C 3.24Å; T169-Q215 PolarHBondContact OG1-NE2 2.99Å; I211-Q215 HydrophobicContact CG2-CG 4.47Å; I211-Q215 WeakPolarHBondContact O-CB 3.06Å; I211-Q215 VanDerWaalsContact O-CG 3.32Å; I211-Q215 WeakPolarHBondContact O-CG 3.24Å; I211-Q215 PolarHBondContact O-N 3.39Å; F212-Q215 PolarHBondContact O-N 3.43Å; Q215-Y218 PolarHBondContact O-N 3.35Å; Q215-Y219 WeakPolarHBondContact O-CB 3.37Å; Q215-Y219 PolarHBondContact O-N 3.5Å; Q215-P450 VanDerWaalsContact CD-CB 3.4Å; Q215-P450 HydrophobicContact CG-CB 4.1Å; Q215-P450 HydrophobicContact CG-CG 4.43Å
216	F	96.3	Very high	93.5	Very high	67 Å²	67	14.4 Å²	14.4	29%	0.294	7%	0.066	S	C	.	.	H	α-helix	trans	-70.2	-37.9	179.5	-167.2	-115.1	0	0	0	111.9	S168 F212 A213 L214 Y219 L220 S239	S168-F216 WeakPolarHBondContact OG-CA 3.49Å; S168-F216 PolarHBondContact OG-N 3.37Å; F212-F216 HydrophobicContact CE2-CB 4.4Å; F212-F216 WeakPolarHBondContact O-CB 3.4Å; F212-F216 PolarHBondContact O-N 2.92Å; A213-F216 PolarHBondContact O-N 3.5Å; L214-F216 VanDerWaalsContact C-N 3.3Å; L214-F216 PolarHBondContact O-N 3.44Å; F216-Y219 HydrophobicContact CD2-CD1 4.13Å; F216-Y219 HydrophobicContact CE2-CD1 4.04Å; F216-Y219 HydrophobicContact CE2-CE1 4.35Å; F216-Y219 WeakPolarHBondContact O-CB 3.45Å; F216-Y219 PolarHBondContact O-N 3.45Å; F216-L220 HydrophobicContact CD1-CD1 3.81Å; F216-L220 HydrophobicContact CE1-CD1 3.49Å; F216-L220 VanDerWaalsContact CE1-CD1 3.49Å; F216-L220 HydrophobicContact CE1-CG 4.33Å; F216-L220 HydrophobicContact CZ-CD1 3.97Å; F216-L220 HydrophobicContact CZ-CG 4.4Å; F216-L220 WeakPolarHBondContact O-CG 3.46Å; F216-L220 PolarHBondContact O-N 3.41Å; F216-S239 WeakPolarHBondContact CD1-OG 3.28Å
217	T	96.6	Very high	93.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.4	-43.2	174.4	-57.4	0	0	0	0	110.9	A213 L214 L220 W221 S239 I253	A213-T217 VanDerWaalsContact O-CB 3.3Å; A213-T217 WeakPolarHBondContact O-CB 3.38Å; A213-T217 PolarHBondContact O-N 3.34Å; A213-T217 PolarHBondContact O-OG1 3.34Å; L214-T217 PolarHBondContact O-N 2.78Å; T217-L220 PolarHBondContact O-N 3.03Å; T217-W221 WeakPolarHBondContact O-CB 3.48Å; T217-W221 PolarHBondContact O-N 3.2Å; T217-S239 PolarHBondContact N-OG 3.41Å; T217-S239 PolarHBondContact OG1-OG 3.1Å; T217-I253 HydrophobicContact CG2-CD1 4.15Å; T217-I253 HydrophobicContact CG2-CG2 4.16Å
218	Y	95.8	Very high	93.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.1	-39	175.3	-69.4	-14.7	0	0	0	113	L214 Q215 W221 V222 F252 I253 L256 F426 Y430	L214-Y218 HydrophobicContact CD1-CE2 4.49Å; L214-Y218 HydrophobicContact CD2-CD2 3.69Å; L214-Y218 HydrophobicContact CD2-CE2 3.38Å; L214-Y218 HydrophobicContact CG-CD2 4.3Å; L214-Y218 HydrophobicContact CG-CE2 3.82Å; L214-Y218 PolarHBondContact O-N 3.31Å; Q215-Y218 PolarHBondContact O-N 3.35Å; Y218-W221 PolarHBondContact O-N 3.34Å; Y218-V222 WeakPolarHBondContact O-CB 3.44Å; Y218-V222 WeakPolarHBondContact O-CG2 3.31Å; Y218-V222 PolarHBondContact O-N 2.95Å; Y218-F252 VanDerWaalsContact OH-CD1 3.23Å; Y218-F252 WeakPolarHBondContact OH-CD1 3.31Å; Y218-F252 WeakPolarHBondContact OH-CE1 3.39Å; Y218-I253 HydrophobicContact CE1-CB 4.35Å; Y218-I253 HydrophobicContact CE1-CD1 4.35Å; Y218-I253 HydrophobicContact CE1-CG1 3.89Å; Y218-I253 HydrophobicContact CE1-CG2 4.12Å; Y218-L256 HydrophobicContact CE1-CD2 4.21Å; Y218-L256 HydrophobicContact CE2-CD2 4.33Å; Y218-L256 VanDerWaalsContact OH-CD2 3.3Å; Y218-L256 WeakPolarHBondContact OH-CD2 3.13Å; Y218-F426 HydrophobicContact CD1-CE1 4.13Å; Y218-F426 AromaticContact CD1-CZ 3.51Å; Y218-F426 HydrophobicContact CD1-CZ 3.51Å; Y218-F426 HydrophobicContact CD2-CE1 4.3Å; Y218-F426 HydrophobicContact CD2-CZ 4.27Å; Y218-F426 AromaticContact CE1-CZ 3.76Å; Y218-F426 HydrophobicContact CE1-CZ 3.76Å; Y218-F426 HydrophobicContact CE2-CZ 4.47Å; Y218-F426 AromaticContact CG-CE1 3.92Å; Y218-F426 HydrophobicContact CG-CE1 3.92Å; Y218-F426 AromaticContact CG-CZ 3.78Å; Y218-F426 HydrophobicContact CG-CZ 3.78Å; Y218-Y430 HydrophobicContact CD2-CD1 4.36Å; Y218-Y430 AromaticContact CD2-CE1 3.98Å; Y218-Y430 HydrophobicContact CD2-CE1 3.98Å; Y218-Y430 HydrophobicContact CE2-CD1 4.16Å; Y218-Y430 HydrophobicContact CE2-CD2 4.31Å; Y218-Y430 AromaticContact CE2-CE1 3.78Å; Y218-Y430 HydrophobicContact CE2-CE1 3.78Å; Y218-Y430 HydrophobicContact CE2-CE2 4.03Å; Y218-Y430 HydrophobicContact CE2-CG 4.41Å; Y218-Y430 AromaticContact CE2-CZ 3.74Å
219	Y	96.3	Very high	94.3	Very high	22 Å²	22	19 Å²	19	9%	0.086	10%	0.099	C	C	.	.	H	α-helix	trans	-58.2	-50.4	172.3	162.7	-111.5	0	0	0	111.7	L171 E175 Q215 F216 W221 V222 K223	L171-Y219 HydrophobicContact CB-CD1 4.44Å; L171-Y219 HydrophobicContact CB-CD2 3.83Å; L171-Y219 HydrophobicContact CB-CE1 4.49Å; L171-Y219 HydrophobicContact CB-CE2 3.88Å; L171-Y219 HydrophobicContact CB-CG 4.12Å; L171-Y219 HydrophobicContact CD1-CE1 4.27Å; E175-Y219 HydrophobicContact CG-CD2 4.24Å; E175-Y219 HydrophobicContact CG-CE2 3.92Å; Q215-Y219 WeakPolarHBondContact O-CB 3.37Å; Q215-Y219 PolarHBondContact O-N 3.5Å; F216-Y219 HydrophobicContact CD2-CD1 4.13Å; F216-Y219 HydrophobicContact CE2-CD1 4.04Å; F216-Y219 HydrophobicContact CE2-CE1 4.35Å; F216-Y219 WeakPolarHBondContact O-CB 3.45Å; F216-Y219 PolarHBondContact O-N 3.45Å; Y219-W221 PolarHBondContact O-N 2.85Å; Y219-V222 PolarHBondContact O-N 3.16Å; Y219-K223 WeakPolarHBondContact O-CB 3.39Å; Y219-K223 PolarHBondContact O-N 3.16Å
220	L	96.4	Very high	94.5	Very high	11 Å²	11	22.1 Å²	22.1	6%	0.058	12%	0.118	C	C	.	.	H	α-helix	trans	-66.6	-36.4	-179.6	-71.5	170.2	0	0	0	112.4	F216 T217 K223 S224 W232 C236	F216-L220 HydrophobicContact CD1-CD1 3.81Å; F216-L220 HydrophobicContact CE1-CD1 3.49Å; F216-L220 VanDerWaalsContact CE1-CD1 3.49Å; F216-L220 HydrophobicContact CE1-CG 4.33Å; F216-L220 HydrophobicContact CZ-CD1 3.97Å; F216-L220 HydrophobicContact CZ-CG 4.4Å; F216-L220 WeakPolarHBondContact O-CG 3.46Å; F216-L220 PolarHBondContact O-N 3.41Å; T217-L220 PolarHBondContact O-N 3.03Å; L220-K223 PolarHBondContact O-N 3.07Å; L220-S224 WeakPolarHBondContact O-CB 3.4Å; L220-S224 PolarHBondContact O-N 2.67Å; L220-W232 HydrophobicContact CD2-CE3 3.89Å; L220-W232 HydrophobicContact CD2-CZ3 4.17Å; L220-C236 HydrophobicContact CB-CB 3.84Å
221	W	96.2	Very high	94.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.1	-53.4	173.1	175.2	-110.9	0	0	0	111.6	T217 Y218 Y219 K223 S224 V225 I257 H260 V261 A277 Y278 F281 F426	T217-W221 WeakPolarHBondContact O-CB 3.48Å; T217-W221 PolarHBondContact O-N 3.2Å; Y218-W221 PolarHBondContact O-N 3.34Å; Y219-W221 PolarHBondContact O-N 2.85Å; W221-K223 VanDerWaalsContact C-N 3.29Å; W221-K223 PolarHBondContact O-N 2.94Å; W221-S224 WeakPolarHBondContact O-CB 3.22Å; W221-S224 PolarHBondContact O-N 2.83Å; W221-S224 VanDerWaalsContact O-N 3.11Å; W221-V225 HydrophobicContact CD2-CG2 4.13Å; W221-V225 HydrophobicContact CH2-CG2 4.14Å; W221-V225 HydrophobicContact CZ2-CG2 3.65Å; W221-V225 WeakPolarHBondContact O-CG2 3.36Å; W221-V225 PolarHBondContact O-N 3.39Å; W221-I257 HydrophobicContact CD2-CD1 4.25Å; W221-I257 HydrophobicContact CD2-CG1 4.28Å; W221-I257 HydrophobicContact CD2-CG2 4.04Å; W221-I257 HydrophobicContact CE3-CD1 4.41Å; W221-I257 HydrophobicContact CE3-CG2 4.12Å; W221-I257 HydrophobicContact CG-CD1 4.34Å; W221-I257 HydrophobicContact CG-CG1 4.36Å; W221-I257 HydrophobicContact CH2-CG2 3.64Å; W221-I257 HydrophobicContact CZ2-CG2 3.52Å; W221-I257 HydrophobicContact CZ3-CG2 3.93Å; W221-H260 AromaticContact CE2-ND1 3.93Å; W221-H260 AromaticContact CZ2-ND1 3.97Å; W221-H260 AromaticContact NE1-CE1 3.84Å; W221-H260 AromaticContact NE1-ND1 3.26Å; W221-H260 PolarHBondContact NE1-ND1 3.33Å; W221-V261 HydrophobicContact CH2-CG2 4.16Å; W221-V261 HydrophobicContact CZ2-CG2 3.86Å; W221-A277 HydrophobicContact CH2-CB 4.41Å; W221-A277 HydrophobicContact CZ3-CB 4.28Å; W221-Y278 AromaticContact CH2-CD2 3.92Å; W221-Y278 HydrophobicContact CH2-CD2 3.92Å; W221-Y278 HydrophobicContact CH2-CG 4.44Å; W221-F281 HydrophobicContact CE3-CG 4.4Å; W221-F281 HydrophobicContact CZ3-CB 3.98Å; W221-F281 HydrophobicContact CZ3-CD1 4.38Å; W221-F281 HydrophobicContact CZ3-CG 4.11Å; W221-F426 AromaticContact CD1-CD2 3.91Å; W221-F426 AromaticContact CD1-CE2 3.82Å; W221-F426 AromaticContact NE1-CD2 3.89Å
222	V	95.1	Very high	94.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-42.8	178.3	167.3	0	0	0	0	110.8	L172 E175 Y218 Y219 S224 V225 K226 E423 F426	L172-V222 HydrophobicContact CD1-CB 4.4Å; L172-V222 HydrophobicContact CD1-CG2 4.1Å; E175-V222 HydrophobicContact CB-CG1 4.16Å; Y218-V222 WeakPolarHBondContact O-CB 3.44Å; Y218-V222 WeakPolarHBondContact O-CG2 3.31Å; Y218-V222 PolarHBondContact O-N 2.95Å; Y219-V222 PolarHBondContact O-N 3.16Å; V222-S224 VanDerWaalsContact C-N 3.35Å; V222-S224 PolarHBondContact O-N 3.36Å; V222-V225 PolarHBondContact O-N 2.99Å; V222-K226 WeakPolarHBondContact O-CB 3.5Å; V222-K226 PolarHBondContact O-N 3.36Å; V222-E423 HydrophobicContact CG1-CB 3.64Å; V222-E423 HydrophobicContact CG1-CG 4.36Å; V222-E423 HydrophobicContact CG2-CB 4.46Å; V222-F426 HydrophobicContact CG2-CD1 3.87Å; V222-F426 HydrophobicContact CG2-CE1 4.32Å
223	K	94.3	Very high	94.8	Very high	43 Å²	43	30.9 Å²	30.9	19%	0.187	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-42.7	176.5	-169.9	62.4	169.5	-170.9	0	112	E175 Y219 L220 W221 K226 T227 W232	E175-K223 WeakPolarHBondContact OE1-CD 3.48Å; E175-K223 IonicContact OE1-NZ 2.75Å; E175-K223 PolarHBondContact OE1-NZ 2.94Å; E175-K223 IonicContact OE2-NZ 3.66Å; Y219-K223 WeakPolarHBondContact O-CB 3.39Å; Y219-K223 PolarHBondContact O-N 3.16Å; L220-K223 PolarHBondContact O-N 3.07Å; W221-K223 VanDerWaalsContact C-N 3.29Å; W221-K223 PolarHBondContact O-N 2.94Å; K223-K226 PolarHBondContact O-N 2.81Å; K223-T227 WeakPolarHBondContact O-CB 3.31Å; K223-T227 PolarHBondContact O-N 3.22Å; K223-T227 PolarHBondContact O-OG1 3.26Å; K223-W232 HydrophobicContact CG-CD2 3.81Å; K223-W232 HydrophobicContact CG-CE3 3.94Å; K223-W232 HydrophobicContact CG-CG 4.18Å; K223-W232 HydrophobicContact CG-CZ2 4.47Å; K223-W232 HydrophobicContact CG-CZ3 4.33Å
224	S	95.3	Very high	94.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.3	-43.4	178.1	-178.5	0	0	0	0	112	L220 W221 V222 K226 G228 T233 A277	L220-S224 WeakPolarHBondContact O-CB 3.4Å; L220-S224 PolarHBondContact O-N 2.67Å; W221-S224 WeakPolarHBondContact O-CB 3.22Å; W221-S224 PolarHBondContact O-N 2.83Å; W221-S224 VanDerWaalsContact O-N 3.11Å; V222-S224 VanDerWaalsContact C-N 3.35Å; V222-S224 PolarHBondContact O-N 3.36Å; S224-K226 PolarHBondContact O-N 3.32Å; S224-G228 VanDerWaalsContact O-CA 3.28Å; S224-G228 WeakPolarHBondContact O-CA 3.2Å; S224-G228 PolarHBondContact O-N 2.67Å; S224-T233 PolarHBondContact OG-OG1 3.47Å; S224-A277 WeakPolarHBondContact OG-CB 3.3Å
225	V	93.7	Very high	94.8	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-41.3	176.7	173.2	0	0	0	0	111.4	W221 V222 V274 A277 D422	W221-V225 HydrophobicContact CD2-CG2 4.13Å; W221-V225 HydrophobicContact CH2-CG2 4.14Å; W221-V225 HydrophobicContact CZ2-CG2 3.65Å; W221-V225 WeakPolarHBondContact O-CG2 3.36Å; W221-V225 PolarHBondContact O-N 3.39Å; V222-V225 PolarHBondContact O-N 2.99Å; V225-V274 HydrophobicContact CG1-CG2 4.3Å; V225-A277 HydrophobicContact CG2-CB 4.41Å; V225-D422 HydrophobicContact CG1-CB 4.41Å
226	K	92.1	Very high	94.9	Very high	84 Å²	84	35.7 Å²	35.7	37%	0.365	19%	0.185	S	C	.	.	H	α-helix	trans	-66.8	-48.2	-179.6	-169.1	172	-176.4	174.9	0	112.4	E175 V222 K223 S224 R273	E175-K226 PolarHBondContact O-NZ 3.45Å; E175-K226 IonicContact OE2-NZ 3.57Å; E175-K226 PolarHBondContact OE2-NZ 3.28Å; V222-K226 WeakPolarHBondContact O-CB 3.5Å; V222-K226 PolarHBondContact O-N 3.36Å; K223-K226 PolarHBondContact O-N 2.81Å; S224-K226 PolarHBondContact O-N 3.32Å; K226-R273 PolarHBondContact O-NH1 3.49Å
227	T	92.1	Very high	94.9	Very high	71 Å²	71	32.5 Å²	32.5	44%	0.436	17%	0.171	S	C	.	.	H	α-helix	trans	-81.5	-33.4	-177.6	-56.7	0	0	0	0	112.7	K223 S229	K223-T227 WeakPolarHBondContact O-CB 3.31Å; K223-T227 PolarHBondContact O-N 3.22Å; K223-T227 PolarHBondContact O-OG1 3.26Å; T227-S229 VanDerWaalsContact C-N 3.29Å; T227-S229 PolarHBondContact O-N 2.86Å
228	G	89.9	Confident	94.9	Very high	14 Å²	14	37.3 Å²	37.3	14%	0.144	20%	0.196	C	C	.	.			trans	69.6	22.1	-175	0	0	0	0	0	114.3	S224	S224-G228 VanDerWaalsContact O-CA 3.28Å; S224-G228 WeakPolarHBondContact O-CA 3.2Å; S224-G228 PolarHBondContact O-N 2.67Å
229	S	93.3	Very high	94.9	Very high	44 Å²	44	37.8 Å²	37.8	31%	0.308	20%	0.2	S	C	.	.			trans	-99.9	136.6	-179.4	166.6	0	0	0	0	111.8	T227 F231 W232 T233	T227-S229 VanDerWaalsContact C-N 3.29Å; T227-S229 PolarHBondContact O-N 2.86Å; S229-F231 PolarHBondContact O-N 3.13Å; S229-F231 PolarHBondContact OG-N 3.28Å; S229-W232 PolarHBondContact O-N 3.16Å; S229-T233 PolarHBondContact O-N 3.39Å; S229-T233 PolarHBondContact O-OG1 3.03Å
230	V	94.7	Very high	94.9	Very high	67 Å²	67	36.9 Å²	36.9	41%	0.406	20%	0.196	S	C	.	.	H	α-helix	trans	-60.1	-32.7	177.4	175.1	0	0	0	0	111.9	W232 T233 I234 I276 T280	V230-W232 PolarHBondContact O-N 3.42Å; V230-T233 WeakPolarHBondContact O-CB 3.4Å; V230-T233 PolarHBondContact O-N 2.94Å; V230-T233 VanDerWaalsContact O-N 3.12Å; V230-I234 HydrophobicContact CG1-CD1 3.83Å; V230-I234 HydrophobicContact CG1-CG1 4.17Å; V230-I234 WeakPolarHBondContact O-CG1 3.32Å; V230-I234 PolarHBondContact O-N 2.95Å; V230-I276 HydrophobicContact CG2-CG2 3.61Å; V230-T280 HydrophobicContact CG1-CG2 4.24Å
231	F	95.9	Very high	95	Very high	144 Å²	144	39.6 Å²	39.6	63%	0.632	21%	0.208	S	C	*	.	H	α-helix	trans	-58.9	-48.3	178.6	172.8	-99.8	0	0	0	111.8	S229 T233 I234 G235	S229-F231 PolarHBondContact O-N 3.13Å; S229-F231 PolarHBondContact OG-N 3.28Å; F231-T233 VanDerWaalsContact C-N 3.25Å; F231-T233 PolarHBondContact O-N 3.25Å; F231-I234 PolarHBondContact O-N 3.3Å; F231-G235 PolarHBondContact O-N 2.99Å
232	W	95.8	Very high	95	Very high	75 Å²	75	42.5 Å²	42.5	28%	0.284	22%	0.219	S	C	.	.	H	α-helix	trans	-65.7	-32.1	177	-65.8	113	0	0	0	111.8	L220 K223 S229 V230 C236	L220-W232 HydrophobicContact CD2-CE3 3.89Å; L220-W232 HydrophobicContact CD2-CZ3 4.17Å; K223-W232 HydrophobicContact CG-CD2 3.81Å; K223-W232 HydrophobicContact CG-CE3 3.94Å; K223-W232 HydrophobicContact CG-CG 4.18Å; K223-W232 HydrophobicContact CG-CZ2 4.47Å; K223-W232 HydrophobicContact CG-CZ3 4.33Å; S229-W232 PolarHBondContact O-N 3.16Å; V230-W232 PolarHBondContact O-N 3.42Å; W232-C236 WeakPolarHBondContact O-CB 3.38Å; W232-C236 PolarHBondContact O-N 2.94Å
233	T	95.9	Very high	94.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.9	-44.8	175	-45.1	0	0	0	0	112.1	S224 S229 V230 F231 G235 C236 C237 A277 T280 F281	S224-T233 PolarHBondContact OG-OG1 3.47Å; S229-T233 PolarHBondContact O-N 3.39Å; S229-T233 PolarHBondContact O-OG1 3.03Å; V230-T233 WeakPolarHBondContact O-CB 3.4Å; V230-T233 PolarHBondContact O-N 2.94Å; V230-T233 VanDerWaalsContact O-N 3.12Å; F231-T233 VanDerWaalsContact C-N 3.25Å; F231-T233 PolarHBondContact O-N 3.25Å; T233-G235 VanDerWaalsContact C-N 3.3Å; T233-G235 PolarHBondContact O-N 3.08Å; T233-C236 CarbonylContact O-C 3.54Å; T233-C236 WeakPolarHBondContact O-CA 3.34Å; T233-C236 VanDerWaalsContact O-CB 3.26Å; T233-C236 WeakPolarHBondContact O-CB 3.4Å; T233-C236 PolarHBondContact O-N 3.06Å; T233-C236 VanDerWaalsContact O-N 3.08Å; T233-C237 PolarHBondContact O-N 3.32Å; T233-C237 PolarHBondContact O-SG 3.03Å; T233-A277 WeakPolarHBondContact CG2-O 3.21Å; T233-T280 HydrophobicContact CG2-CG2 4.06Å; T233-F281 HydrophobicContact CG2-CB 3.79Å
234	I	96.3	Very high	95	Very high	76 Å²	76	40.3 Å²	40.3	39%	0.39	21%	0.209	S	C	.	.	H	α-helix	trans	-61.9	-42.4	175.7	-67.2	170.6	0	0	0	110	V230 F231 C236 C237 L238	V230-I234 HydrophobicContact CG1-CD1 3.83Å; V230-I234 HydrophobicContact CG1-CG1 4.17Å; V230-I234 WeakPolarHBondContact O-CG1 3.32Å; V230-I234 PolarHBondContact O-N 2.95Å; F231-I234 PolarHBondContact O-N 3.3Å; I234-C236 VanDerWaalsContact C-N 3.29Å; I234-C236 PolarHBondContact O-N 3.3Å; I234-C237 WeakPolarHBondContact O-CB 3.48Å; I234-C237 PolarHBondContact O-N 3.22Å; I234-C237 VanDerWaalsContact O-N 3.13Å; I234-L238 HydrophobicContact CG2-CD1 4.43Å; I234-L238 WeakPolarHBondContact O-CG 3.35Å; I234-L238 PolarHBondContact O-N 3.04Å
235	G	95.6	Very high	95	Very high	25 Å²	25	41 Å²	41	26%	0.258	21%	0.214	S	C	.	.	H	α-helix	trans	-56.2	-44.1	171.6	0	0	0	0	0	112.3	F231 T233 L238 S239	F231-G235 PolarHBondContact O-N 2.99Å; T233-G235 VanDerWaalsContact C-N 3.3Å; T233-G235 PolarHBondContact O-N 3.08Å; G235-L238 PolarHBondContact O-N 3.49Å; G235-S239 PolarHBondContact O-N 3.44Å
236	C	96.3	Very high	94.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-42.3	174.4	-170.8	0	0	0	0	112	L220 W232 T233 I234 L238 S239 Y240	L220-C236 HydrophobicContact CB-CB 3.84Å; W232-C236 WeakPolarHBondContact O-CB 3.38Å; W232-C236 PolarHBondContact O-N 2.94Å; T233-C236 CarbonylContact O-C 3.54Å; T233-C236 WeakPolarHBondContact O-CA 3.34Å; T233-C236 VanDerWaalsContact O-CB 3.26Å; T233-C236 WeakPolarHBondContact O-CB 3.4Å; T233-C236 PolarHBondContact O-N 3.06Å; T233-C236 VanDerWaalsContact O-N 3.08Å; I234-C236 VanDerWaalsContact C-N 3.29Å; I234-C236 PolarHBondContact O-N 3.3Å; C236-L238 PolarHBondContact O-N 3.34Å; C236-S239 PolarHBondContact O-N 3.15Å; C236-Y240 WeakPolarHBondContact O-CB 3.18Å; C236-Y240 PolarHBondContact O-N 2.91Å
237	C	96.6	Very high	94.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-40	177.4	-62.2	0	0	0	0	112.8	T233 I234 Y240 F241 F281 V284 L288	T233-C237 PolarHBondContact O-N 3.32Å; T233-C237 PolarHBondContact O-SG 3.03Å; I234-C237 WeakPolarHBondContact O-CB 3.48Å; I234-C237 PolarHBondContact O-N 3.22Å; I234-C237 VanDerWaalsContact O-N 3.13Å; C237-Y240 PolarHBondContact O-N 3.34Å; C237-F241 WeakPolarHBondContact O-CB 3.37Å; C237-F241 PolarHBondContact O-N 3.47Å; C237-F281 VanDerWaalsContact SG-CA 3.6Å; C237-V284 HydrophobicContact CB-CB 4.17Å; C237-V284 HydrophobicContact CB-CG1 3.71Å; C237-L288 HydrophobicContact CB-CD1 4.17Å
238	L	96.2	Very high	94.8	Very high	102 Å²	102	36 Å²	36	53%	0.534	19%	0.19	S	C	.	.	H	α-helix	trans	-66.5	-41.1	175.9	-67.8	175	0	0	0	111.4	I234 G235 C236 Y240 F241 Y242 L288	I234-L238 HydrophobicContact CG2-CD1 4.43Å; I234-L238 WeakPolarHBondContact O-CG 3.35Å; I234-L238 PolarHBondContact O-N 3.04Å; G235-L238 PolarHBondContact O-N 3.49Å; C236-L238 PolarHBondContact O-N 3.34Å; L238-Y240 VanDerWaalsContact C-N 3.35Å; L238-F241 PolarHBondContact O-N 3.03Å; L238-Y242 PolarHBondContact O-N 2.84Å; L238-L288 HydrophobicContact CD2-CD1 4.32Å
239	S	96.2	Very high	94.6	Very high	10 Å²	10	35.8 Å²	35.8	7%	0.07	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-41.1	173	-175.5	0	0	0	0	112	F216 T217 G235 C236 Y242 M243	F216-S239 WeakPolarHBondContact CD1-OG 3.28Å; T217-S239 PolarHBondContact N-OG 3.41Å; T217-S239 PolarHBondContact OG1-OG 3.1Å; G235-S239 PolarHBondContact O-N 3.44Å; C236-S239 PolarHBondContact O-N 3.15Å; S239-Y242 WeakPolarHBondContact O-CB 3.41Å; S239-Y242 PolarHBondContact O-N 2.91Å; S239-M243 PolarHBondContact O-N 3.43Å
240	Y	96.3	Very high	94.7	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-41.9	175	175.3	-108.2	0	0	0	111.7	C236 C237 L238 Y242 M243 V244 I253 I254 F281	C236-Y240 WeakPolarHBondContact O-CB 3.18Å; C236-Y240 PolarHBondContact O-N 2.91Å; C237-Y240 PolarHBondContact O-N 3.34Å; L238-Y240 VanDerWaalsContact C-N 3.35Å; Y240-Y242 VanDerWaalsContact C-N 3.34Å; Y240-Y242 PolarHBondContact O-N 3.32Å; Y240-M243 WeakPolarHBondContact O-CB 3.49Å; Y240-M243 PolarHBondContact O-N 2.74Å; Y240-M243 VanDerWaalsContact O-N 3.16Å; Y240-V244 HydrophobicContact CD1-CG2 4.13Å; Y240-V244 HydrophobicContact CD2-CG2 4.3Å; Y240-V244 HydrophobicContact CE1-CG2 3.73Å; Y240-V244 HydrophobicContact CE2-CG2 3.92Å; Y240-V244 HydrophobicContact CG-CG2 4.41Å; Y240-V244 VanDerWaalsContact O-CG2 3.24Å; Y240-V244 WeakPolarHBondContact O-CG2 3.33Å; Y240-V244 PolarHBondContact O-N 3.41Å; Y240-I253 HydrophobicContact CD2-CB 4.45Å; Y240-I253 HydrophobicContact CD2-CG2 3.95Å; Y240-I253 HydrophobicContact CE2-CB 4.31Å; Y240-I253 HydrophobicContact CE2-CG2 4.15Å; Y240-I254 HydrophobicContact CE2-CB 4.35Å; Y240-I254 WeakPolarHBondContact OH-CB 3.38Å; Y240-F281 HydrophobicContact CD1-CZ 4.43Å; Y240-F281 HydrophobicContact CD2-CZ 4.25Å; Y240-F281 HydrophobicContact CG-CE2 4.15Å; Y240-F281 HydrophobicContact CG-CZ 4.13Å
241	F	96.6	Very high	94.6	Very high	68 Å²	68	31 Å²	31	30%	0.298	16%	0.157	S	C	.	.	H	α-helix	trans	-59.4	-44.5	173.6	174.1	-115.1	0	0	0	112	C237 L238 M243 V244 S245 L288 Q291 V292	C237-F241 WeakPolarHBondContact O-CB 3.37Å; C237-F241 PolarHBondContact O-N 3.47Å; L238-F241 PolarHBondContact O-N 3.03Å; F241-M243 VanDerWaalsContact C-N 3.31Å; F241-M243 PolarHBondContact O-N 2.99Å; F241-V244 PolarHBondContact O-N 3.21Å; F241-S245 PolarHBondContact O-N 3.26Å; F241-L288 HydrophobicContact CB-CB 3.94Å; F241-L288 HydrophobicContact CB-CD1 4.07Å; F241-L288 HydrophobicContact CD2-CB 3.8Å; F241-L288 WeakPolarHBondContact CD2-O 3.26Å; F241-L288 WeakPolarHBondContact CE2-O 3.49Å; F241-L288 HydrophobicContact CG-CB 4.04Å; F241-Q291 HydrophobicContact CE2-CB 4.19Å; F241-V292 HydrophobicContact CE2-CG2 3.91Å
242	Y	96.1	Very high	94.5	Very high	60 Å²	60	25.8 Å²	25.8	24%	0.235	13%	0.134	C	C	.	.	H	α-helix	trans	-58.8	-44.4	173.8	-179.4	-114.7	0	0	0	111.5	T133 I209 F212 A213 L238 S239 Y240 S245 A246	T133-Y242 PolarHBondContact OG1-OH 2.95Å; I209-Y242 HydrophobicContact CG2-CE1 3.64Å; I209-Y242 WeakPolarHBondContact CG2-OH 3.47Å; F212-Y242 HydrophobicContact CD1-CE1 4.47Å; F212-Y242 HydrophobicContact CE1-CE1 4.45Å; A213-Y242 HydrophobicContact CB-CD1 3.79Å; A213-Y242 HydrophobicContact CB-CE1 4.03Å; L238-Y242 PolarHBondContact O-N 2.84Å; S239-Y242 WeakPolarHBondContact O-CB 3.41Å; S239-Y242 PolarHBondContact O-N 2.91Å; Y240-Y242 VanDerWaalsContact C-N 3.34Å; Y240-Y242 PolarHBondContact O-N 3.32Å; Y242-S245 PolarHBondContact O-N 3.04Å; Y242-S245 PolarHBondContact O-OG 3.39Å; Y242-A246 WeakPolarHBondContact O-CB 3.37Å; Y242-A246 PolarHBondContact O-N 2.99Å
243	M	95	Very high	94.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60	-46.6	175.3	-180	64.5	169.3	0	0	112.9	A210 A213 L214 S239 Y240 F241 S245 A246 W247 I253	A210-M243 HydrophobicContact CB-SD 4.42Å; A213-M243 HydrophobicContact CB-CB 4.12Å; A213-M243 HydrophobicContact CB-SD 3.77Å; L214-M243 HydrophobicContact CB-CE 3.89Å; L214-M243 HydrophobicContact CB-SD 4.4Å; L214-M243 HydrophobicContact CD1-CE 4.07Å; L214-M243 HydrophobicContact CG-CE 4.48Å; S239-M243 PolarHBondContact O-N 3.43Å; Y240-M243 WeakPolarHBondContact O-CB 3.49Å; Y240-M243 PolarHBondContact O-N 2.74Å; Y240-M243 VanDerWaalsContact O-N 3.16Å; F241-M243 VanDerWaalsContact C-N 3.31Å; F241-M243 PolarHBondContact O-N 2.99Å; M243-S245 PolarHBondContact O-N 2.9Å; M243-A246 PolarHBondContact O-N 3.05Å; M243-A246 VanDerWaalsContact O-N 3.07Å; M243-W247 HydrophobicContact CE-CE3 3.46Å; M243-W247 VanDerWaalsContact CE-CE3 3.46Å; M243-W247 HydrophobicContact CE-CZ3 4.01Å; M243-W247 PolarHBondContact O-N 2.99Å; M243-I253 HydrophobicContact CE-CD1 4.06Å; M243-I253 HydrophobicContact CG-CD1 3.75Å
244	V	95.5	Very high	94.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.1	-38.3	176.3	176	0	0	0	0	110.7	Y127 Y240 F241 A246 Y250 V292 V295	Y127-V244 WeakPolarHBondContact CD1-O 3.38Å; Y127-V244 WeakPolarHBondContact CE1-O 3.05Å; Y240-V244 HydrophobicContact CD1-CG2 4.13Å; Y240-V244 HydrophobicContact CD2-CG2 4.3Å; Y240-V244 HydrophobicContact CE1-CG2 3.73Å; Y240-V244 HydrophobicContact CE2-CG2 3.92Å; Y240-V244 HydrophobicContact CG-CG2 4.41Å; Y240-V244 VanDerWaalsContact O-CG2 3.24Å; Y240-V244 WeakPolarHBondContact O-CG2 3.33Å; Y240-V244 PolarHBondContact O-N 3.41Å; F241-V244 PolarHBondContact O-N 3.21Å; V244-A246 VanDerWaalsContact C-N 3.32Å; V244-A246 PolarHBondContact O-N 3.42Å; V244-Y250 HydrophobicContact CB-CG 4.25Å; V244-Y250 HydrophobicContact CG1-CD1 4.31Å; V244-Y250 HydrophobicContact CG1-CD2 4.39Å; V244-Y250 HydrophobicContact CG1-CG 4.28Å; V244-Y250 HydrophobicContact CG2-CD2 3.75Å; V244-Y250 HydrophobicContact CG2-CG 3.73Å; V244-V292 HydrophobicContact CG1-CG2 4.07Å; V244-V295 HydrophobicContact CG1-CG2 3.82Å
245	S	94.6	Very high	94.3	Very high	14 Å²	14	21.2 Å²	21.2	10%	0.098	12%	0.116	C	C	.	.	H	α-helix	trans	-73	-22.7	177.8	79.2	0	0	0	0	113.7	Y127 G129 F241 Y242 M243	Y127-S245 CarbonylContact C-O 3.6Å; Y127-S245 VanDerWaalsContact C-O 3.3Å; Y127-S245 VanDerWaalsContact CB-O 3.31Å; Y127-S245 WeakPolarHBondContact CB-O 2.88Å; G129-S245 VanDerWaalsContact CA-O 3.31Å; G129-S245 WeakPolarHBondContact CA-O 3.48Å; G129-S245 PolarHBondContact N-O 3.4Å; F241-S245 PolarHBondContact O-N 3.26Å; Y242-S245 PolarHBondContact O-N 3.04Å; Y242-S245 PolarHBondContact O-OG 3.39Å; M243-S245 PolarHBondContact O-N 2.9Å
246	A	92	Very high	94.2	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-96.6	-41.2	-173.7	0	0	0	0	0	113.2	I209 Y242 M243 V244	I209-A246 HydrophobicContact CG2-CB 4.2Å; Y242-A246 WeakPolarHBondContact O-CB 3.37Å; Y242-A246 PolarHBondContact O-N 2.99Å; M243-A246 PolarHBondContact O-N 3.05Å; M243-A246 VanDerWaalsContact O-N 3.07Å; V244-A246 VanDerWaalsContact C-N 3.32Å; V244-A246 PolarHBondContact O-N 3.42Å
247	W	93.3	Very high	94.2	Very high	35 Å²	35	20.2 Å²	20.2	13%	0.133	11%	0.105	C	C	.	.			trans	-150.5	143	-173.5	-175.7	57.4	0	0	0	113.8	A210 M243 G249 Y250 T447	A210-W247 HydrophobicContact CB-CB 3.52Å; A210-W247 HydrophobicContact CB-CD2 3.82Å; A210-W247 HydrophobicContact CB-CE3 3.72Å; A210-W247 HydrophobicContact CB-CG 3.75Å; M243-W247 HydrophobicContact CE-CE3 3.46Å; M243-W247 VanDerWaalsContact CE-CE3 3.46Å; M243-W247 HydrophobicContact CE-CZ3 4.01Å; M243-W247 PolarHBondContact O-N 2.99Å; W247-G249 VanDerWaalsContact CD2-N 3.33Å; W247-G249 VanDerWaalsContact CE3-CA 3.41Å; W247-G249 VanDerWaalsContact CZ3-CA 3.49Å; W247-G249 PolarHBondContact O-N 2.78Å; W247-G249 VanDerWaalsContact O-N 3.08Å; W247-Y250 WeakPolarHBondContact O-CD1 3.37Å; W247-Y250 PolarHBondContact O-N 3.21Å; W247-T447 HydrophobicContact CH2-CG2 3.67Å; W247-T447 HydrophobicContact CZ3-CG2 4.11Å
248	G	88.1	Confident	94.2	Very high	18 Å²	18	20.3 Å²	20.3	19%	0.186	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.3	178.1	0	0	0	0	0	115.4	Y127 Y250	Y127-G248 WeakPolarHBondContact OH-CA 3.1Å; G248-Y250 PolarHBondContact O-N 3.33Å
249	G	87.1	Confident	94.1	Very high	9 Å²	9	18.8 Å²	18.8	9%	0.093	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	7.1	174.1	0	0	0	0	0	114.7	W247 V251 F252	W247-G249 VanDerWaalsContact CD2-N 3.33Å; W247-G249 VanDerWaalsContact CE3-CA 3.41Å; W247-G249 VanDerWaalsContact CZ3-CA 3.49Å; W247-G249 PolarHBondContact O-N 2.78Å; W247-G249 VanDerWaalsContact O-N 3.08Å; G249-V251 PolarHBondContact O-N 3.06Å; G249-F252 VanDerWaalsContact O-CB 3.24Å; G249-F252 WeakPolarHBondContact O-CB 3.43Å; G249-F252 PolarHBondContact O-N 3.26Å
250	Y	93.9	Very high	94	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-57.2	-26	168.2	76.5	-89.6	0	0	0	112.6	Y127 V244 W247 G248 F252 I253 I254 V295 H305	Y127-Y250 HydrophobicContact CE1-CE1 4.26Å; V244-Y250 HydrophobicContact CB-CG 4.25Å; V244-Y250 HydrophobicContact CG1-CD1 4.31Å; V244-Y250 HydrophobicContact CG1-CD2 4.39Å; V244-Y250 HydrophobicContact CG1-CG 4.28Å; V244-Y250 HydrophobicContact CG2-CD2 3.75Å; V244-Y250 HydrophobicContact CG2-CG 3.73Å; W247-Y250 WeakPolarHBondContact O-CD1 3.37Å; W247-Y250 PolarHBondContact O-N 3.21Å; G248-Y250 PolarHBondContact O-N 3.33Å; Y250-F252 PolarHBondContact O-N 3.43Å; Y250-I253 PolarHBondContact O-N 3.39Å; Y250-I253 VanDerWaalsContact O-N 3.15Å; Y250-I254 PolarHBondContact O-N 2.94Å; Y250-V295 HydrophobicContact CE1-CG2 4.22Å; Y250-H305 AromaticContact CE2-NE2 3.26Å; Y250-H305 VanDerWaalsContact CE2-NE2 3.26Å; Y250-H305 WeakPolarHBondContact CE2-NE2 3.46Å; Y250-H305 AromaticContact CZ-NE2 3.96Å
251	V	93.3	Very high	94	Very high	9 Å²	9	18.3 Å²	18.3	6%	0.055	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-31.4	172.4	-179.3	0	0	0	0	111.6	G249 I254 N255 E304 F368	G249-V251 PolarHBondContact O-N 3.06Å; V251-I254 WeakPolarHBondContact O-CG2 3.35Å; V251-N255 WeakPolarHBondContact CG1-ND2 3.36Å; V251-N255 WeakPolarHBondContact O-CB 3.41Å; V251-N255 PolarHBondContact O-N 3.47Å; V251-N255 PolarHBondContact O-ND2 3.22Å; V251-E304 HydrophobicContact CG1-CB 4.1Å; V251-F368 HydrophobicContact CB-CE1 4.27Å; V251-F368 HydrophobicContact CB-CZ 3.86Å; V251-F368 HydrophobicContact CG1-CE1 4.17Å; V251-F368 HydrophobicContact CG1-CE2 4.4Å; V251-F368 HydrophobicContact CG1-CZ 4Å; V251-F368 HydrophobicContact CG2-CE2 4.21Å; V251-F368 HydrophobicContact CG2-CZ 3.9Å
252	F	93.3	Very high	93.9	Very high	33 Å²	33	18.9 Å²	18.9	15%	0.145	10%	0.096	C	C	.	.	H	α-helix	trans	-68.2	-44.9	174.9	-177.7	-111.4	0	0	0	111.6	L214 Y218 G249 Y250 N255 L256 Y430 F437	L214-F252 HydrophobicContact CD1-CD1 4.31Å; Y218-F252 VanDerWaalsContact OH-CD1 3.23Å; Y218-F252 WeakPolarHBondContact OH-CD1 3.31Å; Y218-F252 WeakPolarHBondContact OH-CE1 3.39Å; G249-F252 VanDerWaalsContact O-CB 3.24Å; G249-F252 WeakPolarHBondContact O-CB 3.43Å; G249-F252 PolarHBondContact O-N 3.26Å; Y250-F252 PolarHBondContact O-N 3.43Å; F252-N255 PolarHBondContact O-N 3.44Å; F252-L256 HydrophobicContact CE1-CD2 4.24Å; F252-L256 HydrophobicContact CZ-CD2 4.37Å; F252-L256 VanDerWaalsContact O-CB 3.3Å; F252-L256 WeakPolarHBondContact O-CB 3.48Å; F252-L256 PolarHBondContact O-N 3.42Å; F252-Y430 AromaticContact CE1-CD2 3.88Å; F252-Y430 HydrophobicContact CE1-CD2 3.88Å; F252-Y430 AromaticContact CE1-CE2 3.59Å; F252-Y430 HydrophobicContact CE1-CE2 3.59Å; F252-Y430 AromaticContact CZ-CD2 3.82Å; F252-Y430 HydrophobicContact CZ-CD2 3.82Å; F252-Y430 AromaticContact CZ-CE2 3.83Å; F252-Y430 HydrophobicContact CZ-CE2 3.83Å; F252-F437 HydrophobicContact CD2-CD2 4.44Å; F252-F437 HydrophobicContact CD2-CE2 4.43Å; F252-F437 AromaticContact CE2-CD2 3.98Å; F252-F437 HydrophobicContact CE2-CD2 3.98Å; F252-F437 HydrophobicContact CE2-CE2 4.16Å
253	I	94.4	Very high	93.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.6	-48.5	179.3	-61.6	-172	0	0	0	110.9	L214 T217 Y218 Y240 M243 Y250 N255 L256 I257	L214-I253 HydrophobicContact CB-CD1 4.47Å; L214-I253 HydrophobicContact CG-CD1 4.33Å; T217-I253 HydrophobicContact CG2-CD1 4.15Å; T217-I253 HydrophobicContact CG2-CG2 4.16Å; Y218-I253 HydrophobicContact CE1-CB 4.35Å; Y218-I253 HydrophobicContact CE1-CD1 4.35Å; Y218-I253 HydrophobicContact CE1-CG1 3.89Å; Y218-I253 HydrophobicContact CE1-CG2 4.12Å; Y240-I253 HydrophobicContact CD2-CB 4.45Å; Y240-I253 HydrophobicContact CD2-CG2 3.95Å; Y240-I253 HydrophobicContact CE2-CB 4.31Å; Y240-I253 HydrophobicContact CE2-CG2 4.15Å; M243-I253 HydrophobicContact CE-CD1 4.06Å; M243-I253 HydrophobicContact CG-CD1 3.75Å; Y250-I253 PolarHBondContact O-N 3.39Å; Y250-I253 VanDerWaalsContact O-N 3.15Å; I253-N255 PolarHBondContact O-N 2.84Å; I253-L256 PolarHBondContact O-N 3.38Å; I253-I257 HydrophobicContact CG2-CD1 3.58Å; I253-I257 HydrophobicContact CG2-CG1 4.27Å; I253-I257 WeakPolarHBondContact O-CG1 3.28Å; I253-I257 PolarHBondContact O-N 2.89Å
254	I	95	Very high	93.6	Very high	13 Å²	13	16.9 Å²	16.9	7%	0.067	9%	0.092	C	C	.	.	H	α-helix	trans	-70	-16.5	-175.8	-162.5	56.9	0	0	0	112.9	Y240 Y250 V251 P258 F281 A308	Y240-I254 HydrophobicContact CE2-CB 4.35Å; Y240-I254 WeakPolarHBondContact OH-CB 3.38Å; Y250-I254 PolarHBondContact O-N 2.94Å; V251-I254 WeakPolarHBondContact O-CG2 3.35Å; I254-P258 WeakPolarHBondContact O-CD 3.27Å; I254-P258 WeakPolarHBondContact O-CG 3.28Å; I254-F281 HydrophobicContact CD1-CE1 3.99Å; I254-A308 HydrophobicContact CD1-CB 4.02Å; I254-A308 HydrophobicContact CG1-CB 3.99Å
255	N	94.6	Very high	93.3	Very high	43 Å²	43	17.6 Å²	17.6	23%	0.23	10%	0.096	C	C	.	.	H	α-helix	trans	-93.1	-33.4	171.7	-79.2	-53.5	0	0	0	112.7	V251 F252 I253 P258 L259 E304 A307	V251-N255 WeakPolarHBondContact CG1-ND2 3.36Å; V251-N255 WeakPolarHBondContact O-CB 3.41Å; V251-N255 PolarHBondContact O-N 3.47Å; V251-N255 PolarHBondContact O-ND2 3.22Å; F252-N255 PolarHBondContact O-N 3.44Å; I253-N255 PolarHBondContact O-N 2.84Å; N255-P258 WeakPolarHBondContact O-CD 3.44Å; N255-L259 VanDerWaalsContact O-CB 3.31Å; N255-L259 WeakPolarHBondContact O-CB 3.49Å; N255-L259 PolarHBondContact O-N 3.26Å; N255-E304 PolarHBondContact ND2-O 2.95Å; N255-E304 PolarHBondContact OD1-O 3.02Å; N255-E304 VanDerWaalsContact OD1-O 3.08Å; N255-A307 WeakPolarHBondContact OD1-CB 3.39Å
256	L	95	Very high	93	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-72	-39.4	179.1	-173.9	66	0	0	0	112.9	Y218 F252 I253 L259 H260 F426 L429 Y430	Y218-L256 HydrophobicContact CE1-CD2 4.21Å; Y218-L256 HydrophobicContact CE2-CD2 4.33Å; Y218-L256 VanDerWaalsContact OH-CD2 3.3Å; Y218-L256 WeakPolarHBondContact OH-CD2 3.13Å; F252-L256 HydrophobicContact CE1-CD2 4.24Å; F252-L256 HydrophobicContact CZ-CD2 4.37Å; F252-L256 VanDerWaalsContact O-CB 3.3Å; F252-L256 WeakPolarHBondContact O-CB 3.48Å; F252-L256 PolarHBondContact O-N 3.42Å; I253-L256 PolarHBondContact O-N 3.38Å; L256-L259 HydrophobicContact CD1-CD2 4.46Å; L256-L259 PolarHBondContact O-N 2.97Å; L256-H260 PolarHBondContact O-N 3.46Å; L256-F426 HydrophobicContact CD2-CE2 3.99Å; L256-F426 HydrophobicContact CD2-CZ 3.96Å; L256-F426 HydrophobicContact CG-CE2 4.04Å; L256-L429 HydrophobicContact CD1-CB 4.34Å; L256-Y430 HydrophobicContact CD2-CD2 3.85Å; L256-Y430 HydrophobicContact CD2-CG 4Å
257	I	95.4	Very high	92.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-49.4	179.3	-69	172.6	0	0	0	111.8	W221 I253 L259 H260 V261 Y278 F281 F426	W221-I257 HydrophobicContact CD2-CD1 4.25Å; W221-I257 HydrophobicContact CD2-CG1 4.28Å; W221-I257 HydrophobicContact CD2-CG2 4.04Å; W221-I257 HydrophobicContact CE3-CD1 4.41Å; W221-I257 HydrophobicContact CE3-CG2 4.12Å; W221-I257 HydrophobicContact CG-CD1 4.34Å; W221-I257 HydrophobicContact CG-CG1 4.36Å; W221-I257 HydrophobicContact CH2-CG2 3.64Å; W221-I257 HydrophobicContact CZ2-CG2 3.52Å; W221-I257 HydrophobicContact CZ3-CG2 3.93Å; I253-I257 HydrophobicContact CG2-CD1 3.58Å; I253-I257 HydrophobicContact CG2-CG1 4.27Å; I253-I257 WeakPolarHBondContact O-CG1 3.28Å; I253-I257 PolarHBondContact O-N 2.89Å; I257-L259 VanDerWaalsContact C-N 3.32Å; I257-L259 PolarHBondContact O-N 3.07Å; I257-H260 WeakPolarHBondContact O-CB 3.16Å; I257-H260 PolarHBondContact O-N 3.47Å; I257-V261 PolarHBondContact O-N 2.93Å; I257-Y278 HydrophobicContact CG2-CD2 3.86Å; I257-Y278 HydrophobicContact CG2-CE2 3.92Å; I257-F281 HydrophobicContact CB-CE1 4.38Å; I257-F281 HydrophobicContact CD1-CD1 4.41Å; I257-F281 HydrophobicContact CD1-CE1 3.61Å; I257-F281 HydrophobicContact CD1-CE2 4.05Å; I257-F281 HydrophobicContact CD1-CZ 3.4Å; I257-F281 HydrophobicContact CG2-CD1 4.14Å; I257-F281 HydrophobicContact CG2-CE1 4.03Å; I257-F426 HydrophobicContact CG1-CE2 4.46Å
258	P	95.5	Very high	92.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-60.9	-38.9	172.7	-22.8	32.7	0	0	0	113	I254 N255 H260 V261 F262 Y278 A308 V311	I254-P258 WeakPolarHBondContact O-CD 3.27Å; I254-P258 WeakPolarHBondContact O-CG 3.28Å; N255-P258 WeakPolarHBondContact O-CD 3.44Å; P258-H260 VanDerWaalsContact C-N 3.29Å; P258-H260 PolarHBondContact O-N 3.47Å; P258-V261 PolarHBondContact O-N 3.34Å; P258-F262 VanDerWaalsContact O-CB 3.24Å; P258-F262 WeakPolarHBondContact O-CB 3.1Å; P258-F262 PolarHBondContact O-N 3.06Å; P258-Y278 HydrophobicContact CB-CE2 4.3Å; P258-Y278 WeakPolarHBondContact CB-OH 3.33Å; P258-Y278 HydrophobicContact CG-CE2 4.07Å; P258-Y278 WeakPolarHBondContact CG-OH 3.38Å; P258-A308 HydrophobicContact CG-CB 3.73Å; P258-V311 HydrophobicContact CB-CB 3.95Å; P258-V311 HydrophobicContact CB-CG1 4.32Å; P258-V311 HydrophobicContact CB-CG2 3.8Å
259	L	95.1	Very high	92.4	Very high	71 Å²	71	35.2 Å²	35.2	37%	0.372	17%	0.173	S	C	.	.	H	α-helix	trans	-60.2	-40.9	176.3	-179.2	63.3	0	0	0	111.4	N255 L256 I257 F262 A263 L429	N255-L259 VanDerWaalsContact O-CB 3.31Å; N255-L259 WeakPolarHBondContact O-CB 3.49Å; N255-L259 PolarHBondContact O-N 3.26Å; L256-L259 HydrophobicContact CD1-CD2 4.46Å; L256-L259 PolarHBondContact O-N 2.97Å; I257-L259 VanDerWaalsContact C-N 3.32Å; I257-L259 PolarHBondContact O-N 3.07Å; L259-F262 PolarHBondContact O-N 3.15Å; L259-A263 WeakPolarHBondContact O-CB 3.45Å; L259-A263 PolarHBondContact O-N 2.88Å; L259-L429 HydrophobicContact CG-CD1 4.46Å
260	H	95.1	Very high	92.5	Very high	2 Å²	2	37 Å²	37	1%	0.009	18%	0.177	C	C	.	.	H	α-helix	trans	-62.6	-48.7	173.6	168.3	-124.7	0	0	0	112.6	W221 L256 I257 P258 F262 A263 L264 D422 F426 L429	W221-H260 AromaticContact CE2-ND1 3.93Å; W221-H260 AromaticContact CZ2-ND1 3.97Å; W221-H260 AromaticContact NE1-CE1 3.84Å; W221-H260 AromaticContact NE1-ND1 3.26Å; W221-H260 PolarHBondContact NE1-ND1 3.33Å; L256-H260 PolarHBondContact O-N 3.46Å; I257-H260 WeakPolarHBondContact O-CB 3.16Å; I257-H260 PolarHBondContact O-N 3.47Å; P258-H260 VanDerWaalsContact C-N 3.29Å; P258-H260 PolarHBondContact O-N 3.47Å; H260-F262 VanDerWaalsContact C-N 3.32Å; H260-F262 PolarHBondContact O-N 3.36Å; H260-A263 PolarHBondContact O-N 2.86Å; H260-L264 WeakPolarHBondContact NE2-CD1 3.5Å; H260-L264 WeakPolarHBondContact O-CG 3.36Å; H260-L264 PolarHBondContact O-N 2.89Å; H260-D422 PolarHBondContact NE2-O 2.98Å; H260-F426 HydrophobicContact CB-CD2 3.75Å; H260-F426 PolarHBondContact CD2-N 3.35Å; H260-F426 AromaticContact CG-CD2 3.69Å; H260-F426 AromaticContact ND1-CD2 3.82Å; H260-L429 HydrophobicContact CB-CD1 4.26Å
261	V	95	Very high	92.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-42.1	177.9	174.2	0	0	0	0	111	W221 I257 P258 L264 L265 V274 Y278 V311 L315	W221-V261 HydrophobicContact CH2-CG2 4.16Å; W221-V261 HydrophobicContact CZ2-CG2 3.86Å; I257-V261 PolarHBondContact O-N 2.93Å; P258-V261 PolarHBondContact O-N 3.34Å; V261-L264 WeakPolarHBondContact O-CB 3.27Å; V261-L264 PolarHBondContact O-N 3.46Å; V261-L265 WeakPolarHBondContact O-CG 3.18Å; V261-L265 PolarHBondContact O-N 3.22Å; V261-V274 HydrophobicContact CG1-CG1 4.13Å; V261-V274 HydrophobicContact CG2-CG1 4.19Å; V261-Y278 HydrophobicContact CB-CD2 4.34Å; V261-Y278 HydrophobicContact CG1-CD1 4.49Å; V261-Y278 HydrophobicContact CG1-CG 4.33Å; V261-Y278 HydrophobicContact CG2-CD2 3.59Å; V261-Y278 HydrophobicContact CG2-CE2 4.21Å; V261-Y278 HydrophobicContact CG2-CG 3.88Å; V261-V311 HydrophobicContact CB-CG1 4.11Å; V261-V311 HydrophobicContact CG1-CG1 3.89Å; V261-L315 HydrophobicContact CG1-CD1 4.16Å; V261-L315 HydrophobicContact CG1-CD2 4.36Å
262	F	93.8	Very high	92	Very high	80 Å²	80	46.8 Å²	46.8	35%	0.351	22%	0.218	S	C	.	.	H	α-helix	trans	-61.8	-43.9	176.3	-176.5	-107.9	0	0	0	112	P258 L259 H260 L264 L265 L266 V311 L314	P258-F262 VanDerWaalsContact O-CB 3.24Å; P258-F262 WeakPolarHBondContact O-CB 3.1Å; P258-F262 PolarHBondContact O-N 3.06Å; L259-F262 PolarHBondContact O-N 3.15Å; H260-F262 VanDerWaalsContact C-N 3.32Å; H260-F262 PolarHBondContact O-N 3.36Å; F262-L264 VanDerWaalsContact C-N 3.34Å; F262-L264 PolarHBondContact O-N 2.95Å; F262-L265 WeakPolarHBondContact O-CB 3.47Å; F262-L265 PolarHBondContact O-N 3.21Å; F262-L265 VanDerWaalsContact O-N 3.16Å; F262-L266 HydrophobicContact CD1-CD1 4.05Å; F262-L266 HydrophobicContact CD1-CG 4.47Å; F262-L266 HydrophobicContact CE1-CD1 3.6Å; F262-L266 HydrophobicContact CE1-CG 4.14Å; F262-L266 HydrophobicContact CZ-CD1 4.12Å; F262-L266 HydrophobicContact CZ-CD2 4.27Å; F262-L266 HydrophobicContact CZ-CG 4.28Å; F262-L266 PolarHBondContact O-N 3.04Å; F262-V311 HydrophobicContact CB-CG2 4.08Å; F262-L314 HydrophobicContact CD2-CD2 3.87Å; F262-L314 HydrophobicContact CE2-CD2 3.83Å
263	A	93	Very high	92.1	Very high	16 Å²	16	50.2 Å²	50.2	13%	0.132	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-39.9	174.5	0	0	0	0	0	112.3	L259 H260 L265 L266 M267 V425 L429	L259-A263 WeakPolarHBondContact O-CB 3.45Å; L259-A263 PolarHBondContact O-N 2.88Å; H260-A263 PolarHBondContact O-N 2.86Å; A263-L265 VanDerWaalsContact C-N 3.3Å; A263-L265 PolarHBondContact O-N 3.15Å; A263-L266 PolarHBondContact O-N 2.96Å; A263-M267 VanDerWaalsContact O-CG 3.29Å; A263-M267 WeakPolarHBondContact O-CG 3.28Å; A263-M267 PolarHBondContact O-N 2.91Å; A263-V425 HydrophobicContact CB-CG1 4.24Å; A263-L429 HydrophobicContact CB-CD1 3.66Å
264	L	92.1	Very high	92	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-36.7	174	-71.1	179.4	0	0	0	112.3	H260 V261 F262 M267 Q268 R269 V274 D422 V425	H260-L264 WeakPolarHBondContact NE2-CD1 3.5Å; H260-L264 WeakPolarHBondContact O-CG 3.36Å; H260-L264 PolarHBondContact O-N 2.89Å; V261-L264 WeakPolarHBondContact O-CB 3.27Å; V261-L264 PolarHBondContact O-N 3.46Å; F262-L264 VanDerWaalsContact C-N 3.34Å; F262-L264 PolarHBondContact O-N 2.95Å; L264-M267 PolarHBondContact O-N 3.4Å; L264-Q268 PolarHBondContact O-N 3.09Å; L264-R269 HydrophobicContact CD2-CB 4.35Å; L264-R269 PolarHBondContact O-N 3.49Å; L264-V274 HydrophobicContact CD1-CG1 4.34Å; L264-V274 HydrophobicContact CD1-CG2 4.09Å; L264-D422 HydrophobicContact CD2-CB 4.41Å; L264-V425 HydrophobicContact CD2-CB 4.31Å; L264-V425 HydrophobicContact CD2-CG1 4.39Å; L264-V425 HydrophobicContact CD2-CG2 4.34Å
265	L	89.5	Confident	92	Very high	16 Å²	16	52.7 Å²	52.7	8%	0.084	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-43.7	174	-66.2	178	0	0	0	111.6	V261 F262 A263 M267 Q268 Y270 L314 L315 Y318	V261-L265 WeakPolarHBondContact O-CG 3.18Å; V261-L265 PolarHBondContact O-N 3.22Å; F262-L265 WeakPolarHBondContact O-CB 3.47Å; F262-L265 PolarHBondContact O-N 3.21Å; F262-L265 VanDerWaalsContact O-N 3.16Å; A263-L265 VanDerWaalsContact C-N 3.3Å; A263-L265 PolarHBondContact O-N 3.15Å; L265-M267 VanDerWaalsContact C-N 3.34Å; L265-M267 PolarHBondContact O-N 2.79Å; L265-Q268 PolarHBondContact O-N 3.2Å; L265-Q268 VanDerWaalsContact O-N 3.09Å; L265-Y270 HydrophobicContact CD2-CD2 3.74Å; L265-Y270 HydrophobicContact CD2-CG 4.32Å; L265-L314 HydrophobicContact CD1-CD2 4.18Å; L265-L314 HydrophobicContact CD1-CG 4.36Å; L265-L315 HydrophobicContact CD1-CD1 4.19Å; L265-L315 HydrophobicContact CD2-CD1 3.96Å; L265-L315 HydrophobicContact CG-CD1 4.47Å; L265-Y318 HydrophobicContact CD2-CD1 4.15Å; L265-Y318 HydrophobicContact CD2-CD2 4.16Å; L265-Y318 HydrophobicContact CD2-CE1 4.33Å; L265-Y318 HydrophobicContact CD2-CE2 4.3Å; L265-Y318 HydrophobicContact CD2-CG 4.08Å
266	L	89.2	Confident	92	Very high	121 Å²	121	53.6 Å²	53.6	63%	0.634	24%	0.244	S	C	*	.	H	α-helix	trans	-64.2	-38.1	177.2	-68.8	-179.6	0	0	0	112.6	F262 A263 Q268	F262-L266 HydrophobicContact CD1-CD1 4.05Å; F262-L266 HydrophobicContact CD1-CG 4.47Å; F262-L266 HydrophobicContact CE1-CD1 3.6Å; F262-L266 HydrophobicContact CE1-CG 4.14Å; F262-L266 HydrophobicContact CZ-CD1 4.12Å; F262-L266 HydrophobicContact CZ-CD2 4.27Å; F262-L266 HydrophobicContact CZ-CG 4.28Å; F262-L266 PolarHBondContact O-N 3.04Å; A263-L266 PolarHBondContact O-N 2.96Å; L266-Q268 PolarHBondContact O-N 3.43Å; L266-Q268 VanDerWaalsContact O-N 3.16Å
267	M	88.6	Confident	92	Very high	76 Å²	76	53.4 Å²	53.4	37%	0.374	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	4.1	175.4	-65.8	176.8	74	0	0	113.4	A263 L264 L265 R269 I420 V425	A263-M267 VanDerWaalsContact O-CG 3.29Å; A263-M267 WeakPolarHBondContact O-CG 3.28Å; A263-M267 PolarHBondContact O-N 2.91Å; L264-M267 PolarHBondContact O-N 3.4Å; L265-M267 VanDerWaalsContact C-N 3.34Å; L265-M267 PolarHBondContact O-N 2.79Å; M267-R269 HydrophobicContact CB-CG 4.37Å; M267-R269 PolarHBondContact O-N 2.8Å; M267-R269 VanDerWaalsContact O-N 3.16Å; M267-I420 HydrophobicContact CE-CD1 4.11Å; M267-I420 HydrophobicContact CE-CG2 3.74Å; M267-V425 HydrophobicContact CE-CG2 4Å; M267-V425 HydrophobicContact SD-CG1 4.09Å; M267-V425 HydrophobicContact SD-CG2 3.79Å
268	Q	85.4	Confident	92.1	Very high	140 Å²	140	53.5 Å²	53.5	65%	0.654	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	23.4	-175.7	-56.3	-177	-5.9	0	0	113.9	L264 L265 L266 Y270	L264-Q268 PolarHBondContact O-N 3.09Å; L265-Q268 PolarHBondContact O-N 3.2Å; L265-Q268 VanDerWaalsContact O-N 3.09Å; L266-Q268 PolarHBondContact O-N 3.43Å; L266-Q268 VanDerWaalsContact O-N 3.16Å; Q268-Y270 VanDerWaalsContact C-N 3.32Å; Q268-Y270 PolarHBondContact O-N 3.44Å
269	R	86.9	Confident	92.1	Very high	101 Å²	101	54.1 Å²	54.1	38%	0.381	25%	0.247	S	C	.	.			trans	-97	45.6	179.1	-71.2	-176.5	173.3	-121.5	2.4	111.7	L264 M267 D422	L264-R269 HydrophobicContact CD2-CB 4.35Å; L264-R269 PolarHBondContact O-N 3.49Å; M267-R269 HydrophobicContact CB-CG 4.37Å; M267-R269 PolarHBondContact O-N 2.8Å; M267-R269 VanDerWaalsContact O-N 3.16Å; R269-D422 IonicContact NH1-OD1 3.19Å
270	Y	87.6	Confident	92.1	Very high	46 Å²	46	52.3 Å²	52.3	18%	0.18	24%	0.239	C	C	.	.			trans	-75.1	130.2	174.3	174.4	-99.8	0	0	0	110.8	L265 Q268 Y275 L315 Y318 A319 Q322	L265-Y270 HydrophobicContact CD2-CD2 3.74Å; L265-Y270 HydrophobicContact CD2-CG 4.32Å; Q268-Y270 VanDerWaalsContact C-N 3.32Å; Q268-Y270 PolarHBondContact O-N 3.44Å; Y270-Y275 WeakPolarHBondContact OH-CB 3.47Å; Y270-L315 HydrophobicContact CD2-CD1 4.07Å; Y270-L315 HydrophobicContact CE2-CD1 3.76Å; Y270-Y318 VanDerWaalsContact CB-CE1 3.48Å; Y270-Y318 AromaticContact CD1-CD1 4Å; Y270-Y318 HydrophobicContact CD1-CD1 4Å; Y270-Y318 AromaticContact CD1-CE1 3.61Å; Y270-Y318 HydrophobicContact CD1-CE1 3.61Å; Y270-Y318 AromaticContact CD2-CD1 3.86Å; Y270-Y318 HydrophobicContact CD2-CD1 3.86Å; Y270-Y318 AromaticContact CD2-CE1 3.96Å; Y270-Y318 HydrophobicContact CD2-CE1 3.96Å; Y270-Y318 HydrophobicContact CE1-CD1 4.3Å; Y270-Y318 HydrophobicContact CE1-CE1 4.31Å; Y270-Y318 HydrophobicContact CE2-CD1 4.17Å; Y270-Y318 AromaticContact CG-CD1 3.75Å; Y270-Y318 HydrophobicContact CG-CD1 3.75Å; Y270-Y318 AromaticContact CG-CE1 3.39Å; Y270-Y318 HydrophobicContact CG-CE1 3.39Å; Y270-A319 VanDerWaalsContact OH-CB 3.24Å; Y270-A319 WeakPolarHBondContact OH-CB 3.49Å; Y270-Q322 HydrophobicContact CD1-CG 4.42Å; Y270-Q322 HydrophobicContact CE1-CG 4.28Å
271	S	87.9	Confident	92.2	Very high	35 Å²	35	52.2 Å²	52.2	25%	0.245	24%	0.239	C	C	.	.			trans	-132.7	151.2	173.4	-172.3	0	0	0	0	110.3	R273 V274 Y275	S271-R273 PolarHBondContact O-N 3.28Å; S271-R273 VanDerWaalsContact O-N 3.13Å; S271-V274 PolarHBondContact O-N 3.47Å; S271-Y275 PolarHBondContact O-N 2.81Å
272	R	90.7	Very high	92.2	Very high	183 Å²	183	54 Å²	54	69%	0.691	25%	0.246	S	C	*	.	H	α-helix	trans	-56.6	-29.2	174	-63.8	-175.2	-177	179.9	1.5	111.9	Y275 I276	R272-Y275 WeakPolarHBondContact O-CB 3.2Å; R272-Y275 PolarHBondContact O-N 3.34Å; R272-I276 WeakPolarHBondContact O-CG1 3.39Å; R272-I276 PolarHBondContact O-N 3.07Å
273	R	93.6	Very high	92.3	Very high	104 Å²	104	54.6 Å²	54.6	39%	0.392	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-45	175.5	-61.2	-180	-69.2	173	1.9	112.3	K226 S271 Y275 I276 A277 D422	K226-R273 PolarHBondContact O-NH1 3.49Å; S271-R273 PolarHBondContact O-N 3.28Å; S271-R273 VanDerWaalsContact O-N 3.13Å; R273-Y275 VanDerWaalsContact C-N 3.31Å; R273-Y275 PolarHBondContact O-N 3.1Å; R273-I276 PolarHBondContact O-N 2.91Å; R273-A277 WeakPolarHBondContact O-CB 3.15Å; R273-A277 PolarHBondContact O-N 2.62Å; R273-D422 IonicContact NH2-OD2 3.52Å
274	V	93.3	Very high	92.5	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-39.8	178.2	179.7	0	0	0	0	110.3	V225 V261 L264 S271 Y278	V225-V274 HydrophobicContact CG1-CG2 4.3Å; V261-V274 HydrophobicContact CG1-CG1 4.13Å; V261-V274 HydrophobicContact CG2-CG1 4.19Å; L264-V274 HydrophobicContact CD1-CG1 4.34Å; L264-V274 HydrophobicContact CD1-CG2 4.09Å; S271-V274 PolarHBondContact O-N 3.47Å; V274-Y278 WeakPolarHBondContact O-CB 3.31Å; V274-Y278 PolarHBondContact O-N 2.95Å
275	Y	94.7	Very high	92.6	Very high	64 Å²	64	55.9 Å²	55.9	25%	0.251	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-51.4	175.5	179.5	-92.1	0	0	0	112.6	Y270 S271 R272 R273 A277 S279 L315 Q316 A319	Y270-Y275 WeakPolarHBondContact OH-CB 3.47Å; S271-Y275 PolarHBondContact O-N 2.81Å; R272-Y275 WeakPolarHBondContact O-CB 3.2Å; R272-Y275 PolarHBondContact O-N 3.34Å; R273-Y275 VanDerWaalsContact C-N 3.31Å; R273-Y275 PolarHBondContact O-N 3.1Å; Y275-A277 VanDerWaalsContact C-N 3.33Å; Y275-A277 PolarHBondContact O-N 3.27Å; Y275-S279 WeakPolarHBondContact O-CB 3.48Å; Y275-S279 PolarHBondContact O-N 3.43Å; Y275-L315 HydrophobicContact CD2-CD2 4.13Å; Y275-L315 HydrophobicContact CD2-CG 3.97Å; Y275-Q316 PolarHBondContact OH-NE2 2.97Å; Y275-Q316 PolarHBondContact OH-OE1 2.91Å; Y275-A319 HydrophobicContact CD2-CB 3.68Å; Y275-A319 HydrophobicContact CE2-CB 3.64Å
276	I	95	Very high	92.9	Very high	62 Å²	62	57.1 Å²	57.1	32%	0.318	27%	0.265	S	S	.	.	H	α-helix	trans	-60.3	-45	179.6	-65.9	165.7	0	0	0	110.6	V230 R272 R273 T280	V230-I276 HydrophobicContact CG2-CG2 3.61Å; R272-I276 WeakPolarHBondContact O-CG1 3.39Å; R272-I276 PolarHBondContact O-N 3.07Å; R273-I276 PolarHBondContact O-N 2.91Å; I276-T280 VanDerWaalsContact O-CB 3.29Å; I276-T280 WeakPolarHBondContact O-CB 3.41Å; I276-T280 PolarHBondContact O-N 3.11Å; I276-T280 PolarHBondContact O-OG1 3.5Å
277	A	95.2	Very high	93.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-52.9	-179.7	0	0	0	0	0	112.2	W221 S224 V225 T233 R273 Y275 F281	W221-A277 HydrophobicContact CH2-CB 4.41Å; W221-A277 HydrophobicContact CZ3-CB 4.28Å; S224-A277 WeakPolarHBondContact OG-CB 3.3Å; V225-A277 HydrophobicContact CG2-CB 4.41Å; T233-A277 WeakPolarHBondContact CG2-O 3.21Å; R273-A277 WeakPolarHBondContact O-CB 3.15Å; R273-A277 PolarHBondContact O-N 2.62Å; Y275-A277 VanDerWaalsContact C-N 3.33Å; Y275-A277 PolarHBondContact O-N 3.27Å; A277-F281 WeakPolarHBondContact O-CB 3.49Å; A277-F281 PolarHBondContact O-N 3.35Å
278	Y	96.1	Very high	93.5	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-71.7	-42.6	-175.1	-175.1	-103.7	0	0	0	113.2	W221 I257 P258 V261 V274 T280 F281 Y282 A308 V311 F312 L315	W221-Y278 AromaticContact CH2-CD2 3.92Å; W221-Y278 HydrophobicContact CH2-CD2 3.92Å; W221-Y278 HydrophobicContact CH2-CG 4.44Å; I257-Y278 HydrophobicContact CG2-CD2 3.86Å; I257-Y278 HydrophobicContact CG2-CE2 3.92Å; P258-Y278 HydrophobicContact CB-CE2 4.3Å; P258-Y278 WeakPolarHBondContact CB-OH 3.33Å; P258-Y278 HydrophobicContact CG-CE2 4.07Å; P258-Y278 WeakPolarHBondContact CG-OH 3.38Å; V261-Y278 HydrophobicContact CB-CD2 4.34Å; V261-Y278 HydrophobicContact CG1-CD1 4.49Å; V261-Y278 HydrophobicContact CG1-CG 4.33Å; V261-Y278 HydrophobicContact CG2-CD2 3.59Å; V261-Y278 HydrophobicContact CG2-CE2 4.21Å; V261-Y278 HydrophobicContact CG2-CG 3.88Å; V274-Y278 WeakPolarHBondContact O-CB 3.31Å; V274-Y278 PolarHBondContact O-N 2.95Å; Y278-T280 PolarHBondContact O-N 2.64Å; Y278-F281 PolarHBondContact O-N 3.12Å; Y278-Y282 WeakPolarHBondContact O-CB 3.31Å; Y278-Y282 PolarHBondContact O-N 3.39Å; Y278-A308 WeakPolarHBondContact OH-CA 3.42Å; Y278-A308 PolarHBondContact OH-O 3.45Å; Y278-V311 HydrophobicContact CE1-CB 4.37Å; Y278-V311 HydrophobicContact CE1-CG1 3.91Å; Y278-F312 HydrophobicContact CE1-CB 4.01Å; Y278-L315 HydrophobicContact CD1-CD2 3.47Å; Y278-L315 VanDerWaalsContact CD1-CD2 3.47Å; Y278-L315 HydrophobicContact CE1-CD2 4.38Å; Y278-L315 HydrophobicContact CG-CD2 4.11Å
279	S	96.1	Very high	93.9	Very high	14 Å²	14	47.9 Å²	47.9	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-62.1	-46.7	-178.7	-174.7	0	0	0	0	111.2	Y275 Y282 I283 Q316	Y275-S279 WeakPolarHBondContact O-CB 3.48Å; Y275-S279 PolarHBondContact O-N 3.43Å; S279-Y282 PolarHBondContact O-N 3.39Å; S279-I283 WeakPolarHBondContact O-CG1 3.5Å; S279-I283 PolarHBondContact O-N 3.38Å; S279-Q316 PolarHBondContact OG-NE2 2.88Å
280	T	95.8	Very high	94.3	Very high	33 Å²	33	45.1 Å²	45.1	20%	0.202	21%	0.213	C	C	.	.	H	α-helix	trans	-67.5	-40.7	177.2	-49	0	0	0	0	111.3	V230 T233 I276 Y278 Y282 V284	V230-T280 HydrophobicContact CG1-CG2 4.24Å; T233-T280 HydrophobicContact CG2-CG2 4.06Å; I276-T280 VanDerWaalsContact O-CB 3.29Å; I276-T280 WeakPolarHBondContact O-CB 3.41Å; I276-T280 PolarHBondContact O-N 3.11Å; I276-T280 PolarHBondContact O-OG1 3.5Å; Y278-T280 PolarHBondContact O-N 2.64Å; T280-Y282 PolarHBondContact O-N 3.29Å; T280-V284 HydrophobicContact CG2-CG2 4.21Å; T280-V284 WeakPolarHBondContact O-CB 3.35Å; T280-V284 WeakPolarHBondContact O-CG2 3.19Å; T280-V284 PolarHBondContact O-N 2.95Å; T280-V284 VanDerWaalsContact O-N 3.09Å
281	F	96.4	Very high	94.6	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-47.5	177	173	-100	0	0	0	111.9	W221 T233 C237 Y240 I254 I257 A277 Y278 G285	W221-F281 HydrophobicContact CE3-CG 4.4Å; W221-F281 HydrophobicContact CZ3-CB 3.98Å; W221-F281 HydrophobicContact CZ3-CD1 4.38Å; W221-F281 HydrophobicContact CZ3-CG 4.11Å; T233-F281 HydrophobicContact CG2-CB 3.79Å; C237-F281 VanDerWaalsContact SG-CA 3.6Å; Y240-F281 HydrophobicContact CD1-CZ 4.43Å; Y240-F281 HydrophobicContact CD2-CZ 4.25Å; Y240-F281 HydrophobicContact CG-CE2 4.15Å; Y240-F281 HydrophobicContact CG-CZ 4.13Å; I254-F281 HydrophobicContact CD1-CE1 3.99Å; I257-F281 HydrophobicContact CB-CE1 4.38Å; I257-F281 HydrophobicContact CD1-CD1 4.41Å; I257-F281 HydrophobicContact CD1-CE1 3.61Å; I257-F281 HydrophobicContact CD1-CE2 4.05Å; I257-F281 HydrophobicContact CD1-CZ 3.4Å; I257-F281 HydrophobicContact CG2-CD1 4.14Å; I257-F281 HydrophobicContact CG2-CE1 4.03Å; A277-F281 WeakPolarHBondContact O-CB 3.49Å; A277-F281 PolarHBondContact O-N 3.35Å; Y278-F281 PolarHBondContact O-N 3.12Å; F281-G285 VanDerWaalsContact O-CA 3.28Å; F281-G285 WeakPolarHBondContact O-CA 3.31Å; F281-G285 PolarHBondContact O-N 3.48Å
282	Y	95.8	Very high	94.9	Very high	36 Å²	36	47.5 Å²	47.5	14%	0.141	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-49.8	-178.5	178	-110	0	0	0	111.9	Y278 S279 T280 L286 A308 A309 F312	Y278-Y282 WeakPolarHBondContact O-CB 3.31Å; Y278-Y282 PolarHBondContact O-N 3.39Å; S279-Y282 PolarHBondContact O-N 3.39Å; T280-Y282 PolarHBondContact O-N 3.29Å; Y282-L286 HydrophobicContact CE1-CD2 4.44Å; Y282-L286 WeakPolarHBondContact O-CB 3.47Å; Y282-L286 PolarHBondContact O-N 2.99Å; Y282-A308 HydrophobicContact CD2-CB 3.89Å; Y282-A308 HydrophobicContact CE2-CB 3.71Å; Y282-A309 WeakPolarHBondContact OH-CA 3.39Å; Y282-A309 WeakPolarHBondContact OH-CB 3.33Å; Y282-F312 HydrophobicContact CD1-CB 3.79Å; Y282-F312 AromaticContact CD1-CD1 3.88Å; Y282-F312 HydrophobicContact CD1-CD1 3.88Å; Y282-F312 AromaticContact CD1-CD2 3.36Å; Y282-F312 HydrophobicContact CD1-CD2 3.36Å; Y282-F312 HydrophobicContact CD1-CE1 4.29Å; Y282-F312 AromaticContact CD1-CE2 3.81Å; Y282-F312 HydrophobicContact CD1-CE2 3.81Å; Y282-F312 AromaticContact CD1-CG 3.39Å; Y282-F312 HydrophobicContact CD1-CG 3.39Å; Y282-F312 HydrophobicContact CD1-CZ 4.25Å; Y282-F312 HydrophobicContact CE1-CB 3.92Å; Y282-F312 AromaticContact CE1-CD1 3.75Å; Y282-F312 HydrophobicContact CE1-CD1 3.75Å; Y282-F312 HydrophobicContact CE1-CD2 4.1Å; Y282-F312 HydrophobicContact CE1-CE1 4.27Å; Y282-F312 AromaticContact CE1-CG 3.65Å; Y282-F312 HydrophobicContact CE1-CG 3.65Å; Y282-F312 HydrophobicContact CG-CB 4.21Å; Y282-F312 AromaticContact CG-CD2 4Å; Y282-F312 HydrophobicContact CG-CD2 4Å; Y282-F312 HydrophobicContact CG-CG 4.18Å
283	I	95.9	Very high	95	Very high	93 Å²	93	42.1 Å²	42.1	48%	0.477	21%	0.211	S	C	.	.	H	α-helix	trans	-65.1	-51	-176.2	-64.2	168.6	0	0	0	111.2	S279 I287 F312	S279-I283 WeakPolarHBondContact O-CG1 3.5Å; S279-I283 PolarHBondContact O-N 3.38Å; I283-I287 PolarHBondContact O-N 2.84Å; I283-F312 HydrophobicContact CD1-CE2 4.26Å; I283-F312 HydrophobicContact CD1-CZ 4.18Å; I283-F312 HydrophobicContact CG1-CE2 4.2Å; I283-F312 HydrophobicContact CG1-CZ 4.24Å
284	V	96.4	Very high	94.9	Very high	44 Å²	44	40.4 Å²	40.4	27%	0.267	21%	0.207	S	C	.	.	H	α-helix	trans	-73.4	-38.3	-176.8	180	0	0	0	0	110.8	C237 T280 L286 I287 L288	C237-V284 HydrophobicContact CB-CB 4.17Å; C237-V284 HydrophobicContact CB-CG1 3.71Å; T280-V284 HydrophobicContact CG2-CG2 4.21Å; T280-V284 WeakPolarHBondContact O-CB 3.35Å; T280-V284 WeakPolarHBondContact O-CG2 3.19Å; T280-V284 PolarHBondContact O-N 2.95Å; T280-V284 VanDerWaalsContact O-N 3.09Å; V284-L286 VanDerWaalsContact C-N 3.35Å; V284-L286 PolarHBondContact O-N 3.47Å; V284-I287 VanDerWaalsContact O-CG2 3.26Å; V284-I287 WeakPolarHBondContact O-CG2 3.39Å; V284-L288 HydrophobicContact CG1-CD1 3.86Å; V284-L288 HydrophobicContact CG1-CG 4.37Å; V284-L288 WeakPolarHBondContact O-CB 3.16Å; V284-L288 VanDerWaalsContact O-CG 3.23Å; V284-L288 WeakPolarHBondContact O-CG 3.44Å; V284-L288 PolarHBondContact O-N 2.95Å; V284-L288 VanDerWaalsContact O-N 3.14Å
285	G	94.9	Very high	94.8	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-39.4	175.5	0	0	0	0	0	112.6	F281 S289	F281-G285 VanDerWaalsContact O-CA 3.28Å; F281-G285 WeakPolarHBondContact O-CA 3.31Å; F281-G285 PolarHBondContact O-N 3.48Å; G285-S289 WeakPolarHBondContact O-CB 3.32Å; G285-S289 PolarHBondContact O-N 3.21Å; G285-S289 PolarHBondContact O-OG 2.73Å
286	L	94.9	Very high	94.7	Very high	41 Å²	41	38.3 Å²	38.3	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-65.2	-47.5	178.3	-177.8	67.8	0	0	0	112.2	Y282 V284 L288 S289 M290 P299	Y282-L286 HydrophobicContact CE1-CD2 4.44Å; Y282-L286 WeakPolarHBondContact O-CB 3.47Å; Y282-L286 PolarHBondContact O-N 2.99Å; V284-L286 VanDerWaalsContact C-N 3.35Å; V284-L286 PolarHBondContact O-N 3.47Å; L286-L288 VanDerWaalsContact C-N 3.32Å; L286-L288 PolarHBondContact O-N 3.45Å; L286-S289 PolarHBondContact O-N 3.31Å; L286-S289 PolarHBondContact O-OG 2.68Å; L286-M290 HydrophobicContact CD1-CE 3.53Å; L286-M290 HydrophobicContact CD2-CE 4.2Å; L286-M290 HydrophobicContact CG-CE 3.62Å; L286-M290 WeakPolarHBondContact O-CG 2.85Å; L286-M290 PolarHBondContact O-N 3.23Å; L286-P299 HydrophobicContact CD1-CB 3.49Å; L286-P299 VanDerWaalsContact CD1-CB 3.49Å
287	I	96.3	Very high	94.6	Very high	103 Å²	103	42.4 Å²	42.4	53%	0.528	22%	0.22	S	C	.	.	H	α-helix	trans	-67.6	-34.7	-179.8	-168.1	170.4	0	0	0	112.1	I283 V284 Q291	I283-I287 PolarHBondContact O-N 2.84Å; V284-I287 VanDerWaalsContact O-CG2 3.26Å; V284-I287 WeakPolarHBondContact O-CG2 3.39Å; I287-Q291 WeakPolarHBondContact O-CG 3.24Å; I287-Q291 PolarHBondContact O-NE2 3.35Å
288	L	95.1	Very high	94.4	Very high	39 Å²	39	45.8 Å²	45.8	20%	0.204	24%	0.236	C	C	.	.	H	α-helix	trans	-71.3	-42.3	177.1	-71.9	175.2	0	0	0	111.7	C237 L238 F241 V284 L286 M290 Q291	C237-L288 HydrophobicContact CB-CD1 4.17Å; L238-L288 HydrophobicContact CD2-CD1 4.32Å; F241-L288 HydrophobicContact CB-CB 3.94Å; F241-L288 HydrophobicContact CB-CD1 4.07Å; F241-L288 HydrophobicContact CD2-CB 3.8Å; F241-L288 WeakPolarHBondContact CD2-O 3.26Å; F241-L288 WeakPolarHBondContact CE2-O 3.49Å; F241-L288 HydrophobicContact CG-CB 4.04Å; V284-L288 HydrophobicContact CG1-CD1 3.86Å; V284-L288 HydrophobicContact CG1-CG 4.37Å; V284-L288 WeakPolarHBondContact O-CB 3.16Å; V284-L288 VanDerWaalsContact O-CG 3.23Å; V284-L288 WeakPolarHBondContact O-CG 3.44Å; V284-L288 PolarHBondContact O-N 2.95Å; V284-L288 VanDerWaalsContact O-N 3.14Å; L286-L288 VanDerWaalsContact C-N 3.32Å; L286-L288 PolarHBondContact O-N 3.45Å; L288-M290 VanDerWaalsContact C-N 3.26Å; L288-M290 PolarHBondContact O-N 2.96Å; L288-Q291 WeakPolarHBondContact O-CB 2.94Å; L288-Q291 PolarHBondContact O-N 3.17Å; L288-Q291 VanDerWaalsContact O-N 3.09Å
289	S	94.4	Very high	94.2	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-33.7	179.8	67.4	0	0	0	0	112.5	G285 L286 Q291 V292	G285-S289 WeakPolarHBondContact O-CB 3.32Å; G285-S289 PolarHBondContact O-N 3.21Å; G285-S289 PolarHBondContact O-OG 2.73Å; L286-S289 PolarHBondContact O-N 3.31Å; L286-S289 PolarHBondContact O-OG 2.68Å; S289-Q291 PolarHBondContact O-N 3.25Å; S289-V292 PolarHBondContact O-N 3.41Å
290	M	94.6	Very high	93.9	Very high	42 Å²	42	50.1 Å²	50.1	21%	0.207	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.5	175.5	-70.5	176.7	-174	0	0	114.5	L286 L288 V292 G296 P299 I300	L286-M290 HydrophobicContact CD1-CE 3.53Å; L286-M290 HydrophobicContact CD2-CE 4.2Å; L286-M290 HydrophobicContact CG-CE 3.62Å; L286-M290 WeakPolarHBondContact O-CG 2.85Å; L286-M290 PolarHBondContact O-N 3.23Å; L288-M290 VanDerWaalsContact C-N 3.26Å; L288-M290 PolarHBondContact O-N 2.96Å; M290-V292 VanDerWaalsContact C-N 3.26Å; M290-V292 PolarHBondContact O-N 2.79Å; M290-G296 WeakPolarHBondContact CA-O 3.33Å; M290-P299 HydrophobicContact CE-CB 4.21Å; M290-P299 HydrophobicContact CG-CG 4.39Å; M290-I300 HydrophobicContact CE-CD1 3.29Å; M290-I300 HydrophobicContact CE-CG1 3.45Å; M290-I300 VanDerWaalsContact CE-CG1 3.45Å; M290-I300 HydrophobicContact SD-CD1 4.26Å
291	Q	94.1	Very high	93.6	Very high	126 Å²	126	56.3 Å²	56.3	59%	0.589	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-20.3	179.7	-57.4	-54.4	-47.2	0	0	112.8	F241 I287 L288 S289 P293	F241-Q291 HydrophobicContact CE2-CB 4.19Å; I287-Q291 WeakPolarHBondContact O-CG 3.24Å; I287-Q291 PolarHBondContact O-NE2 3.35Å; L288-Q291 WeakPolarHBondContact O-CB 2.94Å; L288-Q291 PolarHBondContact O-N 3.17Å; L288-Q291 VanDerWaalsContact O-N 3.09Å; S289-Q291 PolarHBondContact O-N 3.25Å; Q291-P293 WeakPolarHBondContact O-CD 3.5Å
292	V	93.6	Very high	93.3	Very high	6 Å²	6	57.2 Å²	57.2	4%	0.036	28%	0.283	C	S	.	.	S	Bend	trans	-76.2	118.1	178	-179.1	0	0	0	0	108.5	F241 V244 S289 M290 F294 V295 G296	F241-V292 HydrophobicContact CE2-CG2 3.91Å; V244-V292 HydrophobicContact CG1-CG2 4.07Å; S289-V292 PolarHBondContact O-N 3.41Å; M290-V292 VanDerWaalsContact C-N 3.26Å; M290-V292 PolarHBondContact O-N 2.79Å; V292-F294 HydrophobicContact CG1-CB 4.42Å; V292-F294 PolarHBondContact O-N 3.26Å; V292-F294 VanDerWaalsContact O-N 3.15Å; V292-V295 HydrophobicContact CB-CB 4.22Å; V292-V295 HydrophobicContact CB-CG2 4.05Å; V292-V295 HydrophobicContact CG1-CG2 4.12Å; V292-V295 PolarHBondContact O-N 2.84Å; V292-G296 PolarHBondContact O-N 2.91Å
293	P	92.1	Very high	93.1	Very high	70 Å²	70	56.2 Å²	56.2	46%	0.455	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-36.3	-172.9	-28.1	35.6	0	0	0	114.2	L107 Q291 V295	L107-P293 HydrophobicContact CD1-CG 4.06Å; Q291-P293 WeakPolarHBondContact O-CD 3.5Å; P293-V295 VanDerWaalsContact C-N 3.3Å; P293-V295 PolarHBondContact O-N 3.3Å
294	F	91.6	Very high	92.7	Very high	68 Å²	68	52.4 Å²	52.4	30%	0.298	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-33.2	177.6	-175.8	-113.2	0	0	0	113.3	G124 Y127 V292 Q298	G124-F294 WeakPolarHBondContact O-CA 3.18Å; G124-F294 WeakPolarHBondContact O-CD2 3.21Å; Y127-F294 HydrophobicContact CD1-CD1 4.18Å; Y127-F294 HydrophobicContact CD2-CD1 4.3Å; Y127-F294 HydrophobicContact CD2-CE1 4.37Å; Y127-F294 AromaticContact CE1-CD1 3.61Å; Y127-F294 HydrophobicContact CE1-CD1 3.61Å; Y127-F294 HydrophobicContact CE1-CE1 4.16Å; Y127-F294 AromaticContact CE2-CD1 3.73Å; Y127-F294 HydrophobicContact CE2-CD1 3.73Å; Y127-F294 AromaticContact CE2-CE1 3.53Å; Y127-F294 HydrophobicContact CE2-CE1 3.53Å; Y127-F294 AromaticContact CZ-CD1 3.35Å; Y127-F294 AromaticContact CZ-CE1 3.41Å; Y127-F294 VanDerWaalsContact CZ-CE1 3.41Å; Y127-F294 VanDerWaalsContact OH-CE1 3.31Å; Y127-F294 WeakPolarHBondContact OH-CE1 3.28Å; V292-F294 HydrophobicContact CG1-CB 4.42Å; V292-F294 PolarHBondContact O-N 3.26Å; V292-F294 VanDerWaalsContact O-N 3.15Å; F294-Q298 PolarHBondContact O-NE2 3.42Å
295	V	92.5	Very high	92.5	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.012	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-46.5	178.8	176.7	0	0	0	0	110	Y127 V244 Y250 V292 P293 F297 Q298 P299	Y127-V295 HydrophobicContact CE1-CG2 4.23Å; V244-V295 HydrophobicContact CG1-CG2 3.82Å; Y250-V295 HydrophobicContact CE1-CG2 4.22Å; V292-V295 HydrophobicContact CB-CB 4.22Å; V292-V295 HydrophobicContact CB-CG2 4.05Å; V292-V295 HydrophobicContact CG1-CG2 4.12Å; V292-V295 PolarHBondContact O-N 2.84Å; P293-V295 VanDerWaalsContact C-N 3.3Å; P293-V295 PolarHBondContact O-N 3.3Å; V295-F297 PolarHBondContact O-N 3.38Å; V295-F297 VanDerWaalsContact O-N 3.15Å; V295-Q298 HydrophobicContact CG1-CB 4.43Å; V295-Q298 WeakPolarHBondContact O-CB 3.39Å; V295-Q298 WeakPolarHBondContact O-CG 3.42Å; V295-Q298 PolarHBondContact O-N 3.33Å; V295-P299 HydrophobicContact CG1-CG 3.64Å
296	G	92.1	Very high	92.3	Very high	20 Å²	20	52 Å²	52	21%	0.206	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	-120	178.6	0	0	0	0	0	112.3	M290 V292	M290-G296 WeakPolarHBondContact CA-O 3.33Å; V292-G296 PolarHBondContact O-N 2.91Å
297	F	92.9	Very high	92.1	Very high	148 Å²	148	52.1 Å²	52.1	65%	0.649	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	11.7	-179.3	-58.7	-67.9	0	0	0	114.6	V295 P299 I300 R301	V295-F297 PolarHBondContact O-N 3.38Å; V295-F297 VanDerWaalsContact O-N 3.15Å; F297-P299 VanDerWaalsContact C-N 3.32Å; F297-I300 PolarHBondContact O-N 2.7Å; F297-R301 PolarHBondContact O-N 2.86Å; F297-R301 VanDerWaalsContact O-N 3.09Å
298	Q	90.6	Very high	91.9	Very high	70 Å²	70	47.3 Å²	47.3	33%	0.327	24%	0.239	S	C	.	.	H	α-helix	trans	-54.3	-40	176.2	-70.9	172.4	4.4	0	0	113.4	F294 V295 I300 R301 T302	F294-Q298 PolarHBondContact O-NE2 3.42Å; V295-Q298 HydrophobicContact CG1-CB 4.43Å; V295-Q298 WeakPolarHBondContact O-CB 3.39Å; V295-Q298 WeakPolarHBondContact O-CG 3.42Å; V295-Q298 PolarHBondContact O-N 3.33Å; Q298-I300 PolarHBondContact O-N 3.08Å; Q298-R301 PolarHBondContact O-N 3.04Å; Q298-T302 HydrophobicContact CB-CG2 3.91Å; Q298-T302 HydrophobicContact CG-CG2 4.11Å; Q298-T302 WeakPolarHBondContact O-CB 3.5Å; Q298-T302 WeakPolarHBondContact O-CG2 3.29Å; Q298-T302 PolarHBondContact O-N 3.19Å; Q298-T302 PolarHBondContact O-OG1 3.18Å
299	P	91.4	Very high	91.8	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-18.6	-179	-26.7	37.1	0	0	0	115.2	L286 M290 V295 F297 H305	L286-P299 HydrophobicContact CD1-CB 3.49Å; L286-P299 VanDerWaalsContact CD1-CB 3.49Å; M290-P299 HydrophobicContact CE-CB 4.21Å; M290-P299 HydrophobicContact CG-CG 4.39Å; V295-P299 HydrophobicContact CG1-CG 3.64Å; F297-P299 VanDerWaalsContact C-N 3.32Å; P299-H305 WeakPolarHBondContact O-CB 3.3Å
300	I	91	Very high	91.7	Very high	99 Å²	99	47.3 Å²	47.3	51%	0.508	25%	0.246	S	C	.	.	H	α-helix	trans	-97.5	-44	173.8	-67.6	163.1	0	0	0	111	M290 F297 Q298	M290-I300 HydrophobicContact CE-CD1 3.29Å; M290-I300 HydrophobicContact CE-CG1 3.45Å; M290-I300 VanDerWaalsContact CE-CG1 3.45Å; M290-I300 HydrophobicContact SD-CD1 4.26Å; F297-I300 PolarHBondContact O-N 2.7Å; Q298-I300 PolarHBondContact O-N 3.08Å
301	R	89.5	Confident	91.7	Very high	162 Å²	162	46 Å²	46	61%	0.611	24%	0.241	S	C	*	.	H	α-helix	trans	-84.8	-19.9	-168.8	-67.6	-174.1	67.2	-173.2	-0.4	114.1	F297 Q298 I361 A362	F297-R301 PolarHBondContact O-N 2.86Å; F297-R301 VanDerWaalsContact O-N 3.09Å; Q298-R301 PolarHBondContact O-N 3.04Å; R301-I361 CarbonylContact O-C 3.54Å; R301-I361 WeakPolarHBondContact O-CA 3.39Å; R301-I361 WeakPolarHBondContact O-CG2 3.31Å; R301-A362 PolarHBondContact O-N 3.15Å
302	T	90.6	Very high	91.7	Very high	21 Å²	21	42 Å²	42	13%	0.129	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-97.9	142.9	-173.9	60.7	0	0	0	0	112	Q298 E304 H305	Q298-T302 HydrophobicContact CB-CG2 3.91Å; Q298-T302 HydrophobicContact CG-CG2 4.11Å; Q298-T302 WeakPolarHBondContact O-CB 3.5Å; Q298-T302 WeakPolarHBondContact O-CG2 3.29Å; Q298-T302 PolarHBondContact O-N 3.19Å; Q298-T302 PolarHBondContact O-OG1 3.18Å; T302-E304 PolarHBondContact O-N 3.32Å; T302-E304 VanDerWaalsContact O-N 3.16Å; T302-H305 PolarHBondContact O-N 3.26Å; T302-H305 PolarHBondContact OG1-ND1 3.4Å
303	S	89.8	Confident	91.7	Very high	14 Å²	14	43.8 Å²	43.8	10%	0.098	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-62.4	-20.6	176.4	-173.3	0	0	0	0	113.7	H305 M306 A362 W364	S303-H305 VanDerWaalsContact C-N 3.26Å; S303-H305 PolarHBondContact O-N 2.96Å; S303-M306 PolarHBondContact O-N 3.27Å; S303-A362 PolarHBondContact N-O 3.11Å; S303-W364 PolarHBondContact OG-NE1 3.42Å
304	E	89.3	Confident	91.6	Very high	14 Å²	14	41.1 Å²	41.1	7%	0.065	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-66.9	-24.9	-175	-64.3	167.2	-164.5	0	0	113.2	V251 N255 T302 W364 S365 F368	V251-E304 HydrophobicContact CG1-CB 4.1Å; N255-E304 PolarHBondContact ND2-O 2.95Å; N255-E304 PolarHBondContact OD1-O 3.02Å; N255-E304 VanDerWaalsContact OD1-O 3.08Å; T302-E304 PolarHBondContact O-N 3.32Å; T302-E304 VanDerWaalsContact O-N 3.16Å; E304-W364 HydrophobicContact CG-CE3 4.13Å; E304-W364 HydrophobicContact CG-CZ3 4.49Å; E304-S365 WeakPolarHBondContact OE1-CB 3.25Å; E304-S365 PolarHBondContact OE1-N 3.04Å; E304-S365 PolarHBondContact OE1-OG 3.27Å; E304-F368 HydrophobicContact CG-CD2 4.35Å; E304-F368 WeakPolarHBondContact OE1-CD2 3.34Å; E304-F368 WeakPolarHBondContact OE2-CD2 3.24Å; E304-F368 WeakPolarHBondContact OE2-CE2 3.28Å
305	H	92.3	Very high	91.6	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.037	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-101.6	-4.7	-177.1	-62.7	85.5	0	0	0	113	Y250 P299 T302 S303 A307 A308 A309	Y250-H305 AromaticContact CE2-NE2 3.26Å; Y250-H305 VanDerWaalsContact CE2-NE2 3.26Å; Y250-H305 WeakPolarHBondContact CE2-NE2 3.46Å; Y250-H305 AromaticContact CZ-NE2 3.96Å; P299-H305 WeakPolarHBondContact O-CB 3.3Å; T302-H305 PolarHBondContact O-N 3.26Å; T302-H305 PolarHBondContact OG1-ND1 3.4Å; S303-H305 VanDerWaalsContact C-N 3.26Å; S303-H305 PolarHBondContact O-N 2.96Å; H305-A307 VanDerWaalsContact C-N 3.26Å; H305-A307 PolarHBondContact O-N 3.26Å; H305-A308 WeakPolarHBondContact O-CB 3.45Å; H305-A308 PolarHBondContact O-N 3.25Å; H305-A308 VanDerWaalsContact O-N 3.12Å; H305-A309 PolarHBondContact O-N 3.32Å
306	M	89.7	Confident	91.6	Very high	28 Å²	28	40.7 Å²	40.7	14%	0.138	22%	0.217	C	C	.	.	H	α-helix	trans	-68.7	-24.7	-173.4	-67.4	-55.4	-61.3	0	0	113.2	S303 A308 A309 G310 V352 I361	S303-M306 PolarHBondContact O-N 3.27Å; M306-A308 VanDerWaalsContact C-N 3.26Å; M306-A308 PolarHBondContact O-N 2.92Å; M306-A309 HydrophobicContact CE-CB 4.5Å; M306-A309 PolarHBondContact O-N 3.19Å; M306-G310 PolarHBondContact O-N 3.03Å; M306-V352 HydrophobicContact CB-CG1 4.12Å; M306-V352 HydrophobicContact CE-CG1 4.3Å; M306-V352 HydrophobicContact CE-CG2 3.83Å; M306-V352 HydrophobicContact CG-CG1 4.49Å; M306-I361 HydrophobicContact CE-CD1 3.51Å; M306-I361 HydrophobicContact CG-CD1 4.17Å; M306-I361 HydrophobicContact CG-CG2 4.29Å; M306-I361 HydrophobicContact SD-CD1 3.66Å; M306-I361 HydrophobicContact SD-CG1 4.5Å
307	A	91.1	Very high	91.5	Very high	44 Å²	44	41.1 Å²	41.1	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-59.7	-39.5	172.8	0	0	0	0	0	111.5	N255 H305 V311	N255-A307 WeakPolarHBondContact OD1-CB 3.39Å; H305-A307 VanDerWaalsContact C-N 3.26Å; H305-A307 PolarHBondContact O-N 3.26Å; A307-V311 WeakPolarHBondContact O-CB 3.38Å; A307-V311 VanDerWaalsContact O-CG2 3.31Å; A307-V311 WeakPolarHBondContact O-CG2 3.29Å; A307-V311 PolarHBondContact O-N 2.92Å
308	A	92.7	Very high	91.3	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-68.2	-45	177.9	0	0	0	0	0	112	I254 P258 Y278 Y282 H305 M306 G310 F312	I254-A308 HydrophobicContact CD1-CB 4.02Å; I254-A308 HydrophobicContact CG1-CB 3.99Å; P258-A308 HydrophobicContact CG-CB 3.73Å; Y278-A308 WeakPolarHBondContact OH-CA 3.42Å; Y278-A308 PolarHBondContact OH-O 3.45Å; Y282-A308 HydrophobicContact CD2-CB 3.89Å; Y282-A308 HydrophobicContact CE2-CB 3.71Å; H305-A308 WeakPolarHBondContact O-CB 3.45Å; H305-A308 PolarHBondContact O-N 3.25Å; H305-A308 VanDerWaalsContact O-N 3.12Å; M306-A308 VanDerWaalsContact C-N 3.26Å; M306-A308 PolarHBondContact O-N 2.92Å; A308-G310 PolarHBondContact O-N 3.29Å; A308-F312 VanDerWaalsContact O-CB 3.24Å; A308-F312 WeakPolarHBondContact O-CB 3.49Å; A308-F312 PolarHBondContact O-N 3.45Å
309	A	92.6	Very high	91.2	Very high	28 Å²	28	32.7 Å²	32.7	23%	0.231	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-42.1	175.6	0	0	0	0	0	112.2	Y282 H305 M306 F312 A313	Y282-A309 WeakPolarHBondContact OH-CA 3.39Å; Y282-A309 WeakPolarHBondContact OH-CB 3.33Å; H305-A309 PolarHBondContact O-N 3.32Å; M306-A309 HydrophobicContact CE-CB 4.5Å; M306-A309 PolarHBondContact O-N 3.19Å; A309-F312 PolarHBondContact O-N 3.49Å; A309-A313 PolarHBondContact O-N 2.96Å
310	G	91.8	Very high	91	Very high	14 Å²	14	38.3 Å²	38.3	14%	0.144	21%	0.208	C	C	.	.	H	α-helix	trans	-65.3	-47.2	-179.8	0	0	0	0	0	112.8	M306 A308 F312 A313 L314	M306-G310 PolarHBondContact O-N 3.03Å; A308-G310 PolarHBondContact O-N 3.29Å; G310-F312 VanDerWaalsContact C-N 3.31Å; G310-F312 PolarHBondContact O-N 3.01Å; G310-A313 PolarHBondContact O-N 3.49Å; G310-L314 WeakPolarHBondContact O-CB 3.33Å; G310-L314 PolarHBondContact O-N 3.02Å
311	V	93.8	Very high	90.7	Very high	14 Å²	14	35.1 Å²	35.1	9%	0.085	19%	0.191	C	C	.	.	H	α-helix	trans	-67.1	-34.5	176.2	174.9	0	0	0	0	111	P258 V261 F262 Y278 A307 L314 L315	P258-V311 HydrophobicContact CB-CB 3.95Å; P258-V311 HydrophobicContact CB-CG1 4.32Å; P258-V311 HydrophobicContact CB-CG2 3.8Å; V261-V311 HydrophobicContact CB-CG1 4.11Å; V261-V311 HydrophobicContact CG1-CG1 3.89Å; F262-V311 HydrophobicContact CB-CG2 4.08Å; Y278-V311 HydrophobicContact CE1-CB 4.37Å; Y278-V311 HydrophobicContact CE1-CG1 3.91Å; A307-V311 WeakPolarHBondContact O-CB 3.38Å; A307-V311 VanDerWaalsContact O-CG2 3.31Å; A307-V311 WeakPolarHBondContact O-CG2 3.29Å; A307-V311 PolarHBondContact O-N 2.92Å; V311-L314 PolarHBondContact O-N 3.09Å; V311-L315 WeakPolarHBondContact O-CB 3.36Å; V311-L315 PolarHBondContact O-N 3.42Å
312	F	94.7	Very high	90.4	Very high	42 Å²	42	29.9 Å²	29.9	18%	0.184	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-51.5	173	177.7	-99.5	0	0	0	111.9	Y278 Y282 I283 A308 A309 G310 L314 L315 Q316	Y278-F312 HydrophobicContact CE1-CB 4.01Å; Y282-F312 HydrophobicContact CD1-CB 3.79Å; Y282-F312 AromaticContact CD1-CD1 3.88Å; Y282-F312 HydrophobicContact CD1-CD1 3.88Å; Y282-F312 AromaticContact CD1-CD2 3.36Å; Y282-F312 HydrophobicContact CD1-CD2 3.36Å; Y282-F312 HydrophobicContact CD1-CE1 4.29Å; Y282-F312 AromaticContact CD1-CE2 3.81Å; Y282-F312 HydrophobicContact CD1-CE2 3.81Å; Y282-F312 AromaticContact CD1-CG 3.39Å; Y282-F312 HydrophobicContact CD1-CG 3.39Å; Y282-F312 HydrophobicContact CD1-CZ 4.25Å; Y282-F312 HydrophobicContact CE1-CB 3.92Å; Y282-F312 AromaticContact CE1-CD1 3.75Å; Y282-F312 HydrophobicContact CE1-CD1 3.75Å; Y282-F312 HydrophobicContact CE1-CD2 4.1Å; Y282-F312 HydrophobicContact CE1-CE1 4.27Å; Y282-F312 AromaticContact CE1-CG 3.65Å; Y282-F312 HydrophobicContact CE1-CG 3.65Å; Y282-F312 HydrophobicContact CG-CB 4.21Å; Y282-F312 AromaticContact CG-CD2 4Å; Y282-F312 HydrophobicContact CG-CD2 4Å; Y282-F312 HydrophobicContact CG-CG 4.18Å; I283-F312 HydrophobicContact CD1-CE2 4.26Å; I283-F312 HydrophobicContact CD1-CZ 4.18Å; I283-F312 HydrophobicContact CG1-CE2 4.2Å; I283-F312 HydrophobicContact CG1-CZ 4.24Å; A308-F312 VanDerWaalsContact O-CB 3.24Å; A308-F312 WeakPolarHBondContact O-CB 3.49Å; A308-F312 PolarHBondContact O-N 3.45Å; A309-F312 PolarHBondContact O-N 3.49Å; G310-F312 VanDerWaalsContact C-N 3.31Å; G310-F312 PolarHBondContact O-N 3.01Å; F312-L314 VanDerWaalsContact C-N 3.35Å; F312-L314 PolarHBondContact O-N 3.24Å; F312-L315 PolarHBondContact O-N 3.16Å; F312-Q316 HydrophobicContact CE1-CG 4.22Å; F312-Q316 HydrophobicContact CZ-CG 4.24Å; F312-Q316 WeakPolarHBondContact O-CG 3.3Å; F312-Q316 PolarHBondContact O-N 3.4Å
313	A	93.2	Very high	90.1	Very high	43 Å²	43	35 Å²	35	36%	0.355	19%	0.192	S	C	.	.	H	α-helix	trans	-60.3	-43.8	177.4	0	0	0	0	0	112.1	A309 G310 L315 Q316 A317 V348	A309-A313 PolarHBondContact O-N 2.96Å; G310-A313 PolarHBondContact O-N 3.49Å; A313-L315 VanDerWaalsContact C-N 3.33Å; A313-L315 PolarHBondContact O-N 3.5Å; A313-Q316 PolarHBondContact O-N 2.95Å; A313-A317 PolarHBondContact O-N 3.24Å; A313-A317 VanDerWaalsContact O-N 3.09Å; A313-V348 HydrophobicContact CB-CG2 3.9Å
314	L	90.8	Very high	89.7	Confident	15 Å²	15	37 Å²	37	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-41.9	176.3	-179.2	63.6	0	0	0	111.8	F262 L265 G310 V311 F312 A317 Y318 A345	F262-L314 HydrophobicContact CD2-CD2 3.87Å; F262-L314 HydrophobicContact CE2-CD2 3.83Å; L265-L314 HydrophobicContact CD1-CD2 4.18Å; L265-L314 HydrophobicContact CD1-CG 4.36Å; G310-L314 WeakPolarHBondContact O-CB 3.33Å; G310-L314 PolarHBondContact O-N 3.02Å; V311-L314 PolarHBondContact O-N 3.09Å; F312-L314 VanDerWaalsContact C-N 3.35Å; F312-L314 PolarHBondContact O-N 3.24Å; L314-A317 PolarHBondContact O-N 2.97Å; L314-Y318 WeakPolarHBondContact O-CB 3.35Å; L314-Y318 PolarHBondContact O-N 2.99Å; L314-A345 HydrophobicContact CD1-CB 3.94Å
315	L	91.9	Very high	89	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.9	-37	-179.9	-170.6	70.7	0	0	0	111.9	V261 L265 Y270 Y275 Y278 V311 F312 A313 Y318 A319	V261-L315 HydrophobicContact CG1-CD1 4.16Å; V261-L315 HydrophobicContact CG1-CD2 4.36Å; L265-L315 HydrophobicContact CD1-CD1 4.19Å; L265-L315 HydrophobicContact CD2-CD1 3.96Å; L265-L315 HydrophobicContact CG-CD1 4.47Å; Y270-L315 HydrophobicContact CD2-CD1 4.07Å; Y270-L315 HydrophobicContact CE2-CD1 3.76Å; Y275-L315 HydrophobicContact CD2-CD2 4.13Å; Y275-L315 HydrophobicContact CD2-CG 3.97Å; Y278-L315 HydrophobicContact CD1-CD2 3.47Å; Y278-L315 VanDerWaalsContact CD1-CD2 3.47Å; Y278-L315 HydrophobicContact CE1-CD2 4.38Å; Y278-L315 HydrophobicContact CG-CD2 4.11Å; V311-L315 WeakPolarHBondContact O-CB 3.36Å; V311-L315 PolarHBondContact O-N 3.42Å; F312-L315 PolarHBondContact O-N 3.16Å; A313-L315 VanDerWaalsContact C-N 3.33Å; A313-L315 PolarHBondContact O-N 3.5Å; L315-Y318 PolarHBondContact O-N 3.26Å; L315-A319 VanDerWaalsContact O-CB 3.28Å; L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 3.46Å
316	Q	92.8	Very high	88	Confident	60 Å²	60	45.2 Å²	45.2	28%	0.28	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-47.5	173.5	-64.9	-61.5	-10.1	0	0	111.4	Y275 S279 F312 A313 Y318 A319 F320	Y275-Q316 PolarHBondContact OH-NE2 2.97Å; Y275-Q316 PolarHBondContact OH-OE1 2.91Å; S279-Q316 PolarHBondContact OG-NE2 2.88Å; F312-Q316 HydrophobicContact CE1-CG 4.22Å; F312-Q316 HydrophobicContact CZ-CG 4.24Å; F312-Q316 WeakPolarHBondContact O-CG 3.3Å; F312-Q316 PolarHBondContact O-N 3.4Å; A313-Q316 PolarHBondContact O-N 2.95Å; Q316-Y318 PolarHBondContact O-N 3.45Å; Q316-A319 PolarHBondContact O-N 3.16Å; Q316-F320 WeakPolarHBondContact O-CB 3.4Å; Q316-F320 PolarHBondContact O-N 3.34Å
317	A	89.5	Confident	87.4	Confident	30 Å²	30	53 Å²	53	25%	0.248	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-45.2	176.3	0	0	0	0	0	111.5	A313 L314 A319 F320 L321 A344	A313-A317 PolarHBondContact O-N 3.24Å; A313-A317 VanDerWaalsContact O-N 3.09Å; L314-A317 PolarHBondContact O-N 2.97Å; A317-A319 PolarHBondContact O-N 3.28Å; A317-F320 PolarHBondContact O-N 3.45Å; A317-L321 WeakPolarHBondContact O-CB 3.19Å; A317-L321 VanDerWaalsContact O-CG 3.29Å; A317-L321 WeakPolarHBondContact O-CG 3.23Å; A317-L321 PolarHBondContact O-N 3.21Å; A317-A344 HydrophobicContact CB-CB 3.86Å
318	Y	87.8	Confident	86.7	Confident	23 Å²	23	54.6 Å²	54.6	9%	0.09	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-46.1	178.1	-168.4	-76.4	0	0	0	111.7	L265 Y270 L314 L315 Q316 F320 L321 Q322 F337 I341	L265-Y318 HydrophobicContact CD2-CD1 4.15Å; L265-Y318 HydrophobicContact CD2-CD2 4.16Å; L265-Y318 HydrophobicContact CD2-CE1 4.33Å; L265-Y318 HydrophobicContact CD2-CE2 4.3Å; L265-Y318 HydrophobicContact CD2-CG 4.08Å; Y270-Y318 VanDerWaalsContact CB-CE1 3.48Å; Y270-Y318 AromaticContact CD1-CD1 4Å; Y270-Y318 HydrophobicContact CD1-CD1 4Å; Y270-Y318 AromaticContact CD1-CE1 3.61Å; Y270-Y318 HydrophobicContact CD1-CE1 3.61Å; Y270-Y318 AromaticContact CD2-CD1 3.86Å; Y270-Y318 HydrophobicContact CD2-CD1 3.86Å; Y270-Y318 AromaticContact CD2-CE1 3.96Å; Y270-Y318 HydrophobicContact CD2-CE1 3.96Å; Y270-Y318 HydrophobicContact CE1-CD1 4.3Å; Y270-Y318 HydrophobicContact CE1-CE1 4.31Å; Y270-Y318 HydrophobicContact CE2-CD1 4.17Å; Y270-Y318 AromaticContact CG-CD1 3.75Å; Y270-Y318 HydrophobicContact CG-CD1 3.75Å; Y270-Y318 AromaticContact CG-CE1 3.39Å; Y270-Y318 HydrophobicContact CG-CE1 3.39Å; L314-Y318 WeakPolarHBondContact O-CB 3.35Å; L314-Y318 PolarHBondContact O-N 2.99Å; L315-Y318 PolarHBondContact O-N 3.26Å; Q316-Y318 PolarHBondContact O-N 3.45Å; Y318-F320 PolarHBondContact O-N 3.42Å; Y318-L321 PolarHBondContact O-N 3.41Å; Y318-Q322 VanDerWaalsContact O-CB 3.28Å; Y318-Q322 WeakPolarHBondContact O-CB 3.5Å; Y318-Q322 PolarHBondContact O-N 2.93Å; Y318-F337 HydrophobicContact CE1-CZ 4.3Å; Y318-F337 HydrophobicContact CE2-CZ 4.03Å; Y318-F337 AromaticContact CZ-CZ 3.8Å; Y318-I341 HydrophobicContact CD2-CD1 3.48Å; Y318-I341 VanDerWaalsContact CD2-CD1 3.48Å; Y318-I341 HydrophobicContact CD2-CG1 3.96Å; Y318-I341 HydrophobicContact CD2-CG2 4.4Å; Y318-I341 HydrophobicContact CE2-CD1 3.45Å; Y318-I341 VanDerWaalsContact CE2-CD1 3.45Å; Y318-I341 HydrophobicContact CE2-CG1 4.41Å; Y318-I341 HydrophobicContact CG-CD1 4.44Å
319	A	89	Confident	86	Confident	17 Å²	17	59 Å²	59	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-41.6	178.8	0	0	0	0	0	112	Y270 Y275 L315 Q316 A317 Q322 Y323	Y270-A319 VanDerWaalsContact OH-CB 3.24Å; Y270-A319 WeakPolarHBondContact OH-CB 3.49Å; Y275-A319 HydrophobicContact CD2-CB 3.68Å; Y275-A319 HydrophobicContact CE2-CB 3.64Å; L315-A319 VanDerWaalsContact O-CB 3.28Å; L315-A319 WeakPolarHBondContact O-CB 3.42Å; L315-A319 PolarHBondContact O-N 3.46Å; Q316-A319 PolarHBondContact O-N 3.16Å; A317-A319 PolarHBondContact O-N 3.28Å; A319-Q322 PolarHBondContact O-N 3.28Å; A319-Y323 WeakPolarHBondContact O-CB 3.44Å; A319-Y323 PolarHBondContact O-N 3.31Å
320	F	88	Confident	85.1	Confident	127 Å²	127	68 Å²	68	56%	0.557	33%	0.326	S	S	*	.	H	α-helix	trans	-65.5	-45.6	177.4	-178.7	-105.9	0	0	0	112.1	Q316 A317 Y318 Q322 Y323 L324	Q316-F320 WeakPolarHBondContact O-CB 3.4Å; Q316-F320 PolarHBondContact O-N 3.34Å; A317-F320 PolarHBondContact O-N 3.45Å; Y318-F320 PolarHBondContact O-N 3.42Å; F320-Q322 VanDerWaalsContact C-N 3.34Å; F320-Q322 PolarHBondContact O-N 3.34Å; F320-Y323 WeakPolarHBondContact O-CB 3.36Å; F320-Y323 PolarHBondContact O-N 3.04Å; F320-L324 HydrophobicContact CD1-CD1 4.08Å; F320-L324 HydrophobicContact CE1-CD1 3.62Å; F320-L324 HydrophobicContact CE1-CG 4.33Å; F320-L324 HydrophobicContact CZ-CD1 4.06Å; F320-L324 HydrophobicContact CZ-CG 4.42Å; F320-L324 WeakPolarHBondContact O-CG 3.49Å; F320-L324 PolarHBondContact O-N 2.92Å
321	L	83.6	Confident	84.1	Confident	32 Å²	32	76 Å²	76	17%	0.168	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-42.5	175.4	-69.5	173.6	0	0	0	111.3	A317 Y318 Y323 L324 K325 F333 F337 I341	A317-L321 WeakPolarHBondContact O-CB 3.19Å; A317-L321 VanDerWaalsContact O-CG 3.29Å; A317-L321 WeakPolarHBondContact O-CG 3.23Å; A317-L321 PolarHBondContact O-N 3.21Å; Y318-L321 PolarHBondContact O-N 3.41Å; L321-Y323 VanDerWaalsContact C-N 3.29Å; L321-Y323 PolarHBondContact O-N 3.25Å; L321-L324 WeakPolarHBondContact O-CB 3.46Å; L321-L324 PolarHBondContact O-N 2.89Å; L321-L324 VanDerWaalsContact O-N 3.16Å; L321-K325 PolarHBondContact O-N 3.48Å; L321-K325 VanDerWaalsContact O-N 3.1Å; L321-F333 VanDerWaalsContact O-CE2 3.28Å; L321-F333 WeakPolarHBondContact O-CE2 3.04Å; L321-F333 WeakPolarHBondContact O-CZ 3.35Å; L321-F337 HydrophobicContact CB-CD2 3.96Å; L321-F337 HydrophobicContact CB-CE2 4.13Å; L321-I341 HydrophobicContact CD1-CG1 3.72Å
322	Q	82.7	Confident	83	Confident	51 Å²	51	80.9 Å²	80.9	24%	0.238	38%	0.382	C	S	.	.	H	α-helix	trans	-63.9	-33.7	175.5	-173.6	71.4	4.5	0	0	112.1	Y270 Y318 A319 F320 K325 F337	Y270-Q322 HydrophobicContact CD1-CG 4.42Å; Y270-Q322 HydrophobicContact CE1-CG 4.28Å; Y318-Q322 VanDerWaalsContact O-CB 3.28Å; Y318-Q322 WeakPolarHBondContact O-CB 3.5Å; Y318-Q322 PolarHBondContact O-N 2.93Å; A319-Q322 PolarHBondContact O-N 3.28Å; F320-Q322 VanDerWaalsContact C-N 3.34Å; F320-Q322 PolarHBondContact O-N 3.34Å; Q322-K325 WeakPolarHBondContact O-CB 3.08Å; Q322-K325 PolarHBondContact O-N 3.41Å; Q322-F337 HydrophobicContact CB-CE2 4.47Å
323	Y	84.6	Confident	82	Confident	130 Å²	130	79.4 Å²	79.4	51%	0.51	38%	0.375	S	S	.	.	H	α-helix	trans	-66.5	-38.5	173	172.4	-104.5	0	0	0	112.2	A319 F320 L321 K325 D326	A319-Y323 WeakPolarHBondContact O-CB 3.44Å; A319-Y323 PolarHBondContact O-N 3.31Å; F320-Y323 WeakPolarHBondContact O-CB 3.36Å; F320-Y323 PolarHBondContact O-N 3.04Å; L321-Y323 VanDerWaalsContact C-N 3.29Å; L321-Y323 PolarHBondContact O-N 3.25Å; Y323-K325 PolarHBondContact O-N 3.24Å; Y323-D326 PolarHBondContact O-N 2.97Å
324	L	82.6	Confident	81.1	Confident	55 Å²	55	83.5 Å²	83.5	29%	0.288	39%	0.387	S	S	.	.	H	α-helix	trans	-65	-27.1	174	-68.2	175	0	0	0	112.4	F320 L321 D326 R327 L328 F333	F320-L324 HydrophobicContact CD1-CD1 4.08Å; F320-L324 HydrophobicContact CE1-CD1 3.62Å; F320-L324 HydrophobicContact CE1-CG 4.33Å; F320-L324 HydrophobicContact CZ-CD1 4.06Å; F320-L324 HydrophobicContact CZ-CG 4.42Å; F320-L324 WeakPolarHBondContact O-CG 3.49Å; F320-L324 PolarHBondContact O-N 2.92Å; L321-L324 WeakPolarHBondContact O-CB 3.46Å; L321-L324 PolarHBondContact O-N 2.89Å; L321-L324 VanDerWaalsContact O-N 3.16Å; L324-D326 PolarHBondContact O-N 3.38Å; L324-R327 PolarHBondContact O-N 2.91Å; L324-L328 HydrophobicContact CB-CD1 4.45Å; L324-L328 WeakPolarHBondContact O-CD1 3.23Å; L324-L328 PolarHBondContact O-N 3.24Å; L324-L328 VanDerWaalsContact O-N 3.13Å; L324-F333 HydrophobicContact CB-CE2 4.19Å
325	K	74.8	Confident	80.3	Confident	86 Å²	86	87.6 Å²	87.6	37%	0.374	41%	0.413	S	S	.	.	H	α-helix	trans	-53.8	-41.9	174.2	-168.3	170.1	-174.6	177.4	0	112.9	L321 Q322 Y323 R327 F333	L321-K325 PolarHBondContact O-N 3.48Å; L321-K325 VanDerWaalsContact O-N 3.1Å; Q322-K325 WeakPolarHBondContact O-CB 3.08Å; Q322-K325 PolarHBondContact O-N 3.41Å; Y323-K325 PolarHBondContact O-N 3.24Å; K325-R327 PolarHBondContact O-N 3.38Å; K325-F333 HydrophobicContact CB-CD1 4.01Å; K325-F333 HydrophobicContact CB-CD2 4.32Å; K325-F333 HydrophobicContact CB-CE1 3.37Å; K325-F333 HydrophobicContact CB-CE2 3.73Å; K325-F333 HydrophobicContact CB-CG 4.44Å; K325-F333 HydrophobicContact CB-CZ 3.2Å; K325-F333 HydrophobicContact CD-CD1 4.11Å; K325-F333 HydrophobicContact CD-CE1 3.5Å; K325-F333 HydrophobicContact CD-CZ 4.15Å; K325-F333 HydrophobicContact CG-CD1 3.56Å; K325-F333 HydrophobicContact CG-CE1 3.24Å; K325-F333 HydrophobicContact CG-CE2 4.37Å; K325-F333 HydrophobicContact CG-CG 4.25Å; K325-F333 HydrophobicContact CG-CZ 3.69Å
326	D	70.2	Confident	79.5	Confident	109 Å²	109	92.4 Å²	92.4	58%	0.583	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.5	-174.9	-66	-16.9	0	0	0	111.5	Y323 L324	Y323-D326 PolarHBondContact O-N 2.97Å; L324-D326 PolarHBondContact O-N 3.38Å
327	R	76.6	Confident	78.7	Confident	191 Å²	191	90.5 Å²	90.5	72%	0.721	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-14.2	-177.5	-65.6	-69.1	-169.8	167.2	0.6	114.3	L324 K325	L324-R327 PolarHBondContact O-N 2.91Å; K325-R327 PolarHBondContact O-N 3.38Å
328	L	77.7	Confident	78.1	Confident	78 Å²	78	95 Å²	95	41%	0.408	44%	0.443	S	S	.	.	S	Bend	trans	-112.8	158	-175.9	-88.4	77.5	0	0	0	113.1	L324 F333	L324-L328 HydrophobicContact CB-CD1 4.45Å; L324-L328 WeakPolarHBondContact O-CD1 3.23Å; L324-L328 PolarHBondContact O-N 3.24Å; L324-L328 VanDerWaalsContact O-N 3.13Å; L328-F333 HydrophobicContact CB-CB 4.45Å; L328-F333 HydrophobicContact CB-CD2 4.21Å
329	T	77.9	Confident	77.8	Confident	95 Å²	95	99.2 Å²	99.2	58%	0.583	47%	0.467	S	S	*	.			trans	-63	134.8	174.7	7.4	0	0	0	0	112.2	Q331 E332 F333	T329-Q331 VanDerWaalsContact C-N 3.3Å; T329-Q331 PolarHBondContact O-N 3.15Å; T329-Q331 VanDerWaalsContact O-N 3.16Å; T329-E332 PolarHBondContact O-N 3.38Å; T329-E332 PolarHBondContact OG1-OE2 2.86Å; T329-F333 WeakPolarHBondContact O-CB 3.5Å; T329-F333 PolarHBondContact O-N 3.04Å
330	R	72.8	Confident	77.4	Confident	217 Å²	217	99.4 Å²	99.4	82%	0.819	47%	0.47	S	S	*	.	H	α-helix	trans	-56.9	-33.2	-170.8	-116.3	-178.6	-174.6	173.6	1.4	115.1	Q334	R330-Q334 PolarHBondContact O-N 3.31Å
331	Q	70.4	Confident	77.1	Confident	180 Å²	180	94.9 Å²	94.9	84%	0.841	45%	0.451	S	S	*	.	H	α-helix	trans	-76.2	-43	-174.7	-80.8	-179	-21	0	0	113.2	T329 F333	T329-Q331 VanDerWaalsContact C-N 3.3Å; T329-Q331 PolarHBondContact O-N 3.15Å; T329-Q331 VanDerWaalsContact O-N 3.16Å; Q331-F333 VanDerWaalsContact C-N 3.34Å
332	E	70.6	Confident	77	Confident	117 Å²	117	97.1 Å²	97.1	55%	0.547	47%	0.469	S	S	.	.	H	α-helix	trans	-75.8	-29.4	177.5	-64.5	163.7	146.4	0	0	111.2	T329 T335 L336	T329-E332 PolarHBondContact O-N 3.38Å; T329-E332 PolarHBondContact OG1-OE2 2.86Å; E332-T335 PolarHBondContact O-OG1 3.29Å; E332-L336 WeakPolarHBondContact O-CB 3.47Å; E332-L336 WeakPolarHBondContact O-CG 3.26Å; E332-L336 PolarHBondContact O-N 2.65Å
333	F	74.3	Confident	77.1	Confident	11 Å²	11	99.6 Å²	99.6	5%	0.048	48%	0.484	C	S	.	.	H	α-helix	trans	-71.1	-36.9	-177.5	-174.8	-92	0	0	0	113.5	L321 L324 K325 L328 T329 Q331 T335 L336 F337	L321-F333 VanDerWaalsContact O-CE2 3.28Å; L321-F333 WeakPolarHBondContact O-CE2 3.04Å; L321-F333 WeakPolarHBondContact O-CZ 3.35Å; L324-F333 HydrophobicContact CB-CE2 4.19Å; K325-F333 HydrophobicContact CB-CD1 4.01Å; K325-F333 HydrophobicContact CB-CD2 4.32Å; K325-F333 HydrophobicContact CB-CE1 3.37Å; K325-F333 HydrophobicContact CB-CE2 3.73Å; K325-F333 HydrophobicContact CB-CG 4.44Å; K325-F333 HydrophobicContact CB-CZ 3.2Å; K325-F333 HydrophobicContact CD-CD1 4.11Å; K325-F333 HydrophobicContact CD-CE1 3.5Å; K325-F333 HydrophobicContact CD-CZ 4.15Å; K325-F333 HydrophobicContact CG-CD1 3.56Å; K325-F333 HydrophobicContact CG-CE1 3.24Å; K325-F333 HydrophobicContact CG-CE2 4.37Å; K325-F333 HydrophobicContact CG-CG 4.25Å; K325-F333 HydrophobicContact CG-CZ 3.69Å; L328-F333 HydrophobicContact CB-CB 4.45Å; L328-F333 HydrophobicContact CB-CD2 4.21Å; T329-F333 WeakPolarHBondContact O-CB 3.5Å; T329-F333 PolarHBondContact O-N 3.04Å; Q331-F333 VanDerWaalsContact C-N 3.34Å; F333-T335 PolarHBondContact O-N 2.95Å; F333-L336 PolarHBondContact O-N 3.14Å; F333-F337 HydrophobicContact CD1-CB 4.07Å; F333-F337 HydrophobicContact CE1-CB 3.59Å; F333-F337 AromaticContact CE1-CD2 3.51Å; F333-F337 HydrophobicContact CE1-CD2 3.51Å; F333-F337 HydrophobicContact CE1-CE2 4.26Å; F333-F337 AromaticContact CE1-CG 3.67Å; F333-F337 HydrophobicContact CE1-CG 3.67Å; F333-F337 HydrophobicContact CE2-CD2 4.41Å; F333-F337 HydrophobicContact CZ-CB 3.88Å; F333-F337 AromaticContact CZ-CD2 3.33Å; F333-F337 HydrophobicContact CZ-CD2 3.33Å; F333-F337 HydrophobicContact CZ-CE2 4.09Å; F333-F337 AromaticContact CZ-CG 3.91Å; F333-F337 HydrophobicContact CZ-CG 3.91Å; F333-F337 WeakPolarHBondContact O-CB 3.47Å; F333-F337 PolarHBondContact O-N 2.96Å
334	Q	73.9	Confident	77.1	Confident	129 Å²	129	94.3 Å²	94.3	60%	0.603	47%	0.467	S	S	*	.	H	α-helix	trans	-63.1	-44.8	-177	-91.7	-175.2	-34.7	0	0	112.7	R330 F337 F338	R330-Q334 PolarHBondContact O-N 3.31Å; Q334-F337 PolarHBondContact O-N 3.45Å; Q334-F338 WeakPolarHBondContact O-CD2 3.4Å; Q334-F338 PolarHBondContact O-N 3.38Å
335	T	74.7	Confident	77.2	Confident	102 Å²	102	93.4 Å²	93.4	63%	0.626	47%	0.468	S	S	*	.	H	α-helix	trans	-68.1	-43.9	177.1	34.7	0	0	0	0	111.6	E332 F333 F337 L339	E332-T335 PolarHBondContact O-OG1 3.29Å; F333-T335 PolarHBondContact O-N 2.95Å; T335-F337 VanDerWaalsContact C-N 3.32Å; T335-F337 PolarHBondContact O-N 2.95Å; T335-L339 WeakPolarHBondContact O-CB 3.46Å; T335-L339 PolarHBondContact O-N 3.11Å; T335-L339 VanDerWaalsContact O-N 3.07Å
336	L	74.7	Confident	77.9	Confident	101 Å²	101	92.4 Å²	92.4	53%	0.529	47%	0.47	S	S	.	.	H	α-helix	trans	-64.2	-33.7	175.6	-80.2	167.7	0	0	0	113.3	E332 F333 G340	E332-L336 WeakPolarHBondContact O-CB 3.47Å; E332-L336 WeakPolarHBondContact O-CG 3.26Å; E332-L336 PolarHBondContact O-N 2.65Å; F333-L336 PolarHBondContact O-N 3.14Å; L336-G340 WeakPolarHBondContact O-CA 3.2Å; L336-G340 PolarHBondContact O-N 3.49Å
337	F	76.3	Confident	78.9	Confident	19 Å²	19	91.6 Å²	91.6	8%	0.083	47%	0.465	C	S	.	.	H	α-helix	trans	-71.3	-50.6	-179	-178	-102.8	0	0	0	112.2	Y318 L321 Q322 F333 Q334 T335 G340 I341	Y318-F337 HydrophobicContact CE1-CZ 4.3Å; Y318-F337 HydrophobicContact CE2-CZ 4.03Å; Y318-F337 AromaticContact CZ-CZ 3.8Å; L321-F337 HydrophobicContact CB-CD2 3.96Å; L321-F337 HydrophobicContact CB-CE2 4.13Å; Q322-F337 HydrophobicContact CB-CE2 4.47Å; F333-F337 HydrophobicContact CD1-CB 4.07Å; F333-F337 HydrophobicContact CE1-CB 3.59Å; F333-F337 AromaticContact CE1-CD2 3.51Å; F333-F337 HydrophobicContact CE1-CD2 3.51Å; F333-F337 HydrophobicContact CE1-CE2 4.26Å; F333-F337 AromaticContact CE1-CG 3.67Å; F333-F337 HydrophobicContact CE1-CG 3.67Å; F333-F337 HydrophobicContact CE2-CD2 4.41Å; F333-F337 HydrophobicContact CZ-CB 3.88Å; F333-F337 AromaticContact CZ-CD2 3.33Å; F333-F337 HydrophobicContact CZ-CD2 3.33Å; F333-F337 HydrophobicContact CZ-CE2 4.09Å; F333-F337 AromaticContact CZ-CG 3.91Å; F333-F337 HydrophobicContact CZ-CG 3.91Å; F333-F337 WeakPolarHBondContact O-CB 3.47Å; F333-F337 PolarHBondContact O-N 2.96Å; Q334-F337 PolarHBondContact O-N 3.45Å; T335-F337 VanDerWaalsContact C-N 3.32Å; T335-F337 PolarHBondContact O-N 2.95Å; F337-G340 PolarHBondContact O-N 3.24Å; F337-I341 HydrophobicContact CD1-CD1 3.72Å; F337-I341 HydrophobicContact CD2-CD1 3.97Å; F337-I341 HydrophobicContact CE1-CD1 3.34Å; F337-I341 HydrophobicContact CE2-CD1 3.64Å; F337-I341 HydrophobicContact CG-CD1 4.04Å; F337-I341 HydrophobicContact CZ-CD1 3.32Å; F337-I341 WeakPolarHBondContact O-CB 3.4Å; F337-I341 WeakPolarHBondContact O-CG1 3.4Å; F337-I341 PolarHBondContact O-N 3.06Å
338	F	76.9	Confident	79.5	Confident	124 Å²	124	84.2 Å²	84.2	54%	0.544	44%	0.441	S	S	.	.	H	α-helix	trans	-65.4	-41.8	177.6	-82.4	-73.8	0	0	0	111.6	Q334 S342	Q334-F338 WeakPolarHBondContact O-CD2 3.4Å; Q334-F338 PolarHBondContact O-N 3.38Å; F338-S342 VanDerWaalsContact O-CB 3.25Å; F338-S342 WeakPolarHBondContact O-CB 3.19Å; F338-S342 PolarHBondContact O-N 3.32Å
339	L	80.7	Confident	80	Confident	113 Å²	113	87 Å²	87	59%	0.592	45%	0.45	S	S	*	.	H	α-helix	trans	-64.4	-44.7	175.3	-176.2	65.5	0	0	0	111.4	T335 S342 L343	T335-L339 WeakPolarHBondContact O-CB 3.46Å; T335-L339 PolarHBondContact O-N 3.11Å; T335-L339 VanDerWaalsContact O-N 3.07Å; L339-S342 PolarHBondContact O-N 2.97Å; L339-L343 WeakPolarHBondContact O-CB 3.36Å; L339-L343 PolarHBondContact O-N 3.21Å
340	G	81.4	Confident	80.7	Confident	20 Å²	20	87.3 Å²	87.3	21%	0.206	45%	0.448	C	S	.	.	H	α-helix	trans	-64.7	-41.9	-178.8	0	0	0	0	0	113.1	L336 F337 A344	L336-G340 WeakPolarHBondContact O-CA 3.2Å; L336-G340 PolarHBondContact O-N 3.49Å; F337-G340 PolarHBondContact O-N 3.24Å; G340-A344 VanDerWaalsContact O-CB 3.27Å; G340-A344 WeakPolarHBondContact O-CB 3.16Å; G340-A344 PolarHBondContact O-N 3.49Å
341	I	81	Confident	81.5	Confident	33 Å²	33	80.2 Å²	80.2	17%	0.169	43%	0.429	C	S	.	.	H	α-helix	trans	-67.8	-44.8	175.6	-68.4	164.9	0	0	0	110.7	Y318 L321 F337 L343 A344 A345	Y318-I341 HydrophobicContact CD2-CD1 3.48Å; Y318-I341 VanDerWaalsContact CD2-CD1 3.48Å; Y318-I341 HydrophobicContact CD2-CG1 3.96Å; Y318-I341 HydrophobicContact CD2-CG2 4.4Å; Y318-I341 HydrophobicContact CE2-CD1 3.45Å; Y318-I341 VanDerWaalsContact CE2-CD1 3.45Å; Y318-I341 HydrophobicContact CE2-CG1 4.41Å; Y318-I341 HydrophobicContact CG-CD1 4.44Å; L321-I341 HydrophobicContact CD1-CG1 3.72Å; F337-I341 HydrophobicContact CD1-CD1 3.72Å; F337-I341 HydrophobicContact CD2-CD1 3.97Å; F337-I341 HydrophobicContact CE1-CD1 3.34Å; F337-I341 HydrophobicContact CE2-CD1 3.64Å; F337-I341 HydrophobicContact CG-CD1 4.04Å; F337-I341 HydrophobicContact CZ-CD1 3.32Å; F337-I341 WeakPolarHBondContact O-CB 3.4Å; F337-I341 WeakPolarHBondContact O-CG1 3.4Å; F337-I341 PolarHBondContact O-N 3.06Å; I341-L343 VanDerWaalsContact C-N 3.33Å; I341-L343 PolarHBondContact O-N 3.08Å; I341-A344 PolarHBondContact O-N 3.46Å; I341-A345 WeakPolarHBondContact O-CB 3.3Å; I341-A345 PolarHBondContact O-N 3.41Å
342	S	81.5	Confident	82.4	Confident	78 Å²	78	73.2 Å²	73.2	55%	0.545	40%	0.398	S	S	.	.	H	α-helix	trans	-62	-42.5	178.4	-178.7	0	0	0	0	111.4	F338 L339 A345 C346	F338-S342 VanDerWaalsContact O-CB 3.25Å; F338-S342 WeakPolarHBondContact O-CB 3.19Å; F338-S342 PolarHBondContact O-N 3.32Å; L339-S342 PolarHBondContact O-N 2.97Å; S342-A345 PolarHBondContact O-N 3.35Å; S342-C346 VanDerWaalsContact O-CB 3.28Å; S342-C346 WeakPolarHBondContact O-CB 3.41Å; S342-C346 PolarHBondContact O-N 2.96Å
343	L	86.5	Confident	83.3	Confident	104 Å²	104	71.6 Å²	71.6	55%	0.545	39%	0.393	S	S	.	.	H	α-helix	trans	-64.2	-47.1	175.7	-167	84.6	0	0	0	111.3	L339 I341 A345 C346 I347	L339-L343 WeakPolarHBondContact O-CB 3.36Å; L339-L343 PolarHBondContact O-N 3.21Å; I341-L343 VanDerWaalsContact C-N 3.33Å; I341-L343 PolarHBondContact O-N 3.08Å; L343-A345 PolarHBondContact O-N 3.23Å; L343-C346 PolarHBondContact O-N 2.73Å; L343-I347 HydrophobicContact CD2-CD1 4.08Å; L343-I347 HydrophobicContact CG-CD1 3.88Å; L343-I347 HydrophobicContact CG-CG1 4.49Å; L343-I347 WeakPolarHBondContact O-CB 3.08Å; L343-I347 VanDerWaalsContact O-CG1 3.25Å; L343-I347 WeakPolarHBondContact O-CG1 3.33Å; L343-I347 PolarHBondContact O-N 3.02Å
344	A	84.5	Confident	84.2	Confident	18 Å²	18	78.3 Å²	78.3	15%	0.149	42%	0.419	C	S	.	.	H	α-helix	trans	-61.2	-44.1	178.3	0	0	0	0	0	111.8	A317 G340 I341 I347 V348	A317-A344 HydrophobicContact CB-CB 3.86Å; G340-A344 VanDerWaalsContact O-CB 3.27Å; G340-A344 WeakPolarHBondContact O-CB 3.16Å; G340-A344 PolarHBondContact O-N 3.49Å; I341-A344 PolarHBondContact O-N 3.46Å; A344-I347 PolarHBondContact O-N 2.83Å; A344-V348 VanDerWaalsContact O-CG2 3.28Å; A344-V348 WeakPolarHBondContact O-CG2 3.29Å; A344-V348 PolarHBondContact O-N 3.46Å
345	A	84.9	Confident	85	Confident	37 Å²	37	74.9 Å²	74.9	31%	0.306	40%	0.404	S	S	.	.	H	α-helix	trans	-62	-43.3	175.3	0	0	0	0	0	111.8	L314 I341 S342 L343 V348 F349	L314-A345 HydrophobicContact CD1-CB 3.94Å; I341-A345 WeakPolarHBondContact O-CB 3.3Å; I341-A345 PolarHBondContact O-N 3.41Å; S342-A345 PolarHBondContact O-N 3.35Å; L343-A345 PolarHBondContact O-N 3.23Å; A345-V348 PolarHBondContact O-N 3.32Å; A345-F349 WeakPolarHBondContact O-CB 3.4Å; A345-F349 PolarHBondContact O-N 3.25Å
346	C	88.4	Confident	85.7	Confident	64 Å²	64	71.9 Å²	71.9	43%	0.432	39%	0.385	S	S	.	.	H	α-helix	trans	-63.1	-45.3	177.2	-171.8	0	0	0	0	111.8	S342 L343 V348 F349 L350	S342-C346 VanDerWaalsContact O-CB 3.28Å; S342-C346 WeakPolarHBondContact O-CB 3.41Å; S342-C346 PolarHBondContact O-N 2.96Å; L343-C346 PolarHBondContact O-N 2.73Å; C346-V348 PolarHBondContact O-N 3.43Å; C346-F349 PolarHBondContact O-N 3.01Å; C346-L350 WeakPolarHBondContact O-CB 3.45Å; C346-L350 WeakPolarHBondContact O-CG 3.42Å; C346-L350 PolarHBondContact O-N 3.42Å
347	I	90.9	Very high	86.5	Confident	93 Å²	93	77 Å²	77	48%	0.477	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-47.5	177.3	-70.2	166.1	0	0	0	110.6	L343 A344 F349 L350 T351	L343-I347 HydrophobicContact CD2-CD1 4.08Å; L343-I347 HydrophobicContact CG-CD1 3.88Å; L343-I347 HydrophobicContact CG-CG1 4.49Å; L343-I347 WeakPolarHBondContact O-CB 3.08Å; L343-I347 VanDerWaalsContact O-CG1 3.25Å; L343-I347 WeakPolarHBondContact O-CG1 3.33Å; L343-I347 PolarHBondContact O-N 3.02Å; A344-I347 PolarHBondContact O-N 2.83Å; I347-F349 VanDerWaalsContact C-N 3.33Å; I347-F349 PolarHBondContact O-N 3.46Å; I347-L350 PolarHBondContact O-N 2.98Å; I347-T351 VanDerWaalsContact O-CB 3.31Å; I347-T351 WeakPolarHBondContact O-CB 3.44Å; I347-T351 PolarHBondContact O-N 2.99Å; I347-T351 PolarHBondContact O-OG1 3.19Å
348	V	89.3	Confident	87.2	Confident	35 Å²	35	78.8 Å²	78.8	21%	0.212	41%	0.412	C	S	.	.	H	α-helix	trans	-59.4	-46.8	177.8	169.9	0	0	0	0	110.3	A313 A344 A345 C346 T351 V352	A313-V348 HydrophobicContact CB-CG2 3.9Å; A344-V348 VanDerWaalsContact O-CG2 3.28Å; A344-V348 WeakPolarHBondContact O-CG2 3.29Å; A344-V348 PolarHBondContact O-N 3.46Å; A345-V348 PolarHBondContact O-N 3.32Å; C346-V348 PolarHBondContact O-N 3.43Å; V348-T351 PolarHBondContact O-N 3.46Å; V348-V352 WeakPolarHBondContact O-CG2 3.44Å; V348-V352 PolarHBondContact O-N 3.28Å
349	F	89.6	Confident	87.8	Confident	136 Å²	136	75.6 Å²	75.6	60%	0.596	41%	0.414	S	S	*	.	H	α-helix	trans	-62.7	-48.2	-179.6	-174.5	-109.2	0	0	0	112.7	A345 C346 I347 T351 V352 I353	A345-F349 WeakPolarHBondContact O-CB 3.4Å; A345-F349 PolarHBondContact O-N 3.25Å; C346-F349 PolarHBondContact O-N 3.01Å; I347-F349 VanDerWaalsContact C-N 3.33Å; I347-F349 PolarHBondContact O-N 3.46Å; F349-T351 VanDerWaalsContact C-N 3.3Å; F349-T351 PolarHBondContact O-N 3.45Å; F349-V352 PolarHBondContact O-N 3.21Å; F349-I353 HydrophobicContact CD1-CD1 3.72Å; F349-I353 HydrophobicContact CE1-CD1 3.27Å; F349-I353 HydrophobicContact CE1-CG1 4.47Å; F349-I353 HydrophobicContact CE2-CD1 4.13Å; F349-I353 HydrophobicContact CG-CD1 4.33Å; F349-I353 HydrophobicContact CZ-CD1 3.51Å; F349-I353 HydrophobicContact CZ-CG1 4.47Å; F349-I353 WeakPolarHBondContact O-CG1 3.2Å; F349-I353 PolarHBondContact O-N 3.06Å
350	L	91.3	Very high	88.2	Confident	103 Å²	103	78.6 Å²	78.6	54%	0.539	42%	0.419	S	S	.	.	H	α-helix	trans	-63	-37.3	177.1	-69.7	174.5	0	0	0	111.9	C346 I347 I353 Y354	C346-L350 WeakPolarHBondContact O-CB 3.45Å; C346-L350 WeakPolarHBondContact O-CG 3.42Å; C346-L350 PolarHBondContact O-N 3.42Å; I347-L350 PolarHBondContact O-N 2.98Å; L350-I353 PolarHBondContact O-N 2.91Å; L350-Y354 VanDerWaalsContact O-CB 3.24Å; L350-Y354 WeakPolarHBondContact O-CB 3.4Å; L350-Y354 PolarHBondContact O-N 3.3Å
351	T	89.6	Confident	88.6	Confident	67 Å²	67	78.1 Å²	78.1	41%	0.411	41%	0.412	S	S	.	.	H	α-helix	trans	-64.6	-45.1	177.3	-55.5	0	0	0	0	111.1	I347 V348 F349 I353 Y354 L355	I347-T351 VanDerWaalsContact O-CB 3.31Å; I347-T351 WeakPolarHBondContact O-CB 3.44Å; I347-T351 PolarHBondContact O-N 2.99Å; I347-T351 PolarHBondContact O-OG1 3.19Å; V348-T351 PolarHBondContact O-N 3.46Å; F349-T351 VanDerWaalsContact C-N 3.3Å; F349-T351 PolarHBondContact O-N 3.45Å; T351-I353 PolarHBondContact O-N 3.11Å; T351-Y354 PolarHBondContact O-N 2.9Å; T351-L355 HydrophobicContact CG2-CD1 3.93Å; T351-L355 HydrophobicContact CG2-CG 4.33Å; T351-L355 WeakPolarHBondContact O-CB 3.43Å; T351-L355 VanDerWaalsContact O-CG 3.28Å; T351-L355 WeakPolarHBondContact O-CG 3.45Å; T351-L355 PolarHBondContact O-N 3.09Å
352	V	89.1	Confident	88.9	Confident	34 Å²	34	78.4 Å²	78.4	21%	0.206	42%	0.419	C	S	.	.	H	α-helix	trans	-62.5	-44	177.6	173.6	0	0	0	0	111.1	M306 V348 F349 T356	M306-V352 HydrophobicContact CB-CG1 4.12Å; M306-V352 HydrophobicContact CE-CG1 4.3Å; M306-V352 HydrophobicContact CE-CG2 3.83Å; M306-V352 HydrophobicContact CG-CG1 4.49Å; V348-V352 WeakPolarHBondContact O-CG2 3.44Å; V348-V352 PolarHBondContact O-N 3.28Å; F349-V352 PolarHBondContact O-N 3.21Å; V352-T356 WeakPolarHBondContact O-CB 3.5Å; V352-T356 PolarHBondContact O-N 3.44Å; V352-T356 PolarHBondContact O-OG1 3.17Å
353	I	90.2	Very high	89.3	Confident	83 Å²	83	79.3 Å²	79.3	43%	0.426	42%	0.423	S	S	.	.	H	α-helix	trans	-62.3	-48.3	176.6	-69.4	173.5	0	0	0	110.7	F349 L350 T351 L355 T356 Y357	F349-I353 HydrophobicContact CD1-CD1 3.72Å; F349-I353 HydrophobicContact CE1-CD1 3.27Å; F349-I353 HydrophobicContact CE1-CG1 4.47Å; F349-I353 HydrophobicContact CE2-CD1 4.13Å; F349-I353 HydrophobicContact CG-CD1 4.33Å; F349-I353 HydrophobicContact CZ-CD1 3.51Å; F349-I353 HydrophobicContact CZ-CG1 4.47Å; F349-I353 WeakPolarHBondContact O-CG1 3.2Å; F349-I353 PolarHBondContact O-N 3.06Å; L350-I353 PolarHBondContact O-N 2.91Å; T351-I353 PolarHBondContact O-N 3.11Å; I353-L355 PolarHBondContact O-N 2.85Å; I353-T356 PolarHBondContact O-N 3.49Å; I353-Y357 WeakPolarHBondContact O-CB 3.36Å; I353-Y357 PolarHBondContact O-N 2.74Å
354	Y	92.3	Very high	89.4	Confident	152 Å²	152	80.7 Å²	80.7	60%	0.596	42%	0.421	S	S	*	.	H	α-helix	trans	-60.5	-45.9	-179.3	179.5	-100.9	0	0	0	111.8	L350 T351 T356 Y357 T358	L350-Y354 VanDerWaalsContact O-CB 3.24Å; L350-Y354 WeakPolarHBondContact O-CB 3.4Å; L350-Y354 PolarHBondContact O-N 3.3Å; T351-Y354 PolarHBondContact O-N 2.9Å; Y354-T356 VanDerWaalsContact C-N 3.31Å; Y354-T356 PolarHBondContact O-N 2.91Å; Y354-Y357 PolarHBondContact O-N 3.19Å; Y354-T358 HydrophobicContact CD1-CG2 4.29Å; Y354-T358 HydrophobicContact CD2-CG2 4.13Å; Y354-T358 HydrophobicContact CE1-CG2 3.92Å; Y354-T358 HydrophobicContact CE2-CG2 3.75Å; Y354-T358 HydrophobicContact CG-CG2 4.39Å; Y354-T358 WeakPolarHBondContact O-CB 3.48Å; Y354-T358 VanDerWaalsContact O-CG2 3.26Å; Y354-T358 WeakPolarHBondContact O-CG2 3.21Å; Y354-T358 PolarHBondContact O-N 2.98Å; Y354-T358 PolarHBondContact O-OG1 3.37Å
355	L	90.5	Very high	89.5	Confident	57 Å²	57	82.2 Å²	82.2	30%	0.298	43%	0.43	S	S	.	.	H	α-helix	trans	-66.6	-31.9	178.5	-70.9	176.5	0	0	0	113.3	T351 I353 T358 Y360 I361	T351-L355 HydrophobicContact CG2-CD1 3.93Å; T351-L355 HydrophobicContact CG2-CG 4.33Å; T351-L355 WeakPolarHBondContact O-CB 3.43Å; T351-L355 VanDerWaalsContact O-CG 3.28Å; T351-L355 WeakPolarHBondContact O-CG 3.45Å; T351-L355 PolarHBondContact O-N 3.09Å; I353-L355 PolarHBondContact O-N 2.85Å; L355-T358 WeakPolarHBondContact CA-OG1 3.4Å; L355-T358 PolarHBondContact O-OG1 3.11Å; L355-Y360 HydrophobicContact CD2-CD2 4.2Å; L355-Y360 PolarHBondContact O-N 3.34Å; L355-I361 HydrophobicContact CB-CD1 3.5Å; L355-I361 HydrophobicContact CB-CG1 4.03Å; L355-I361 HydrophobicContact CD1-CD1 4.18Å; L355-I361 PolarHBondContact O-N 3.03Å; L355-I361 VanDerWaalsContact O-N 3.11Å
356	T	90.4	Very high	89.2	Confident	38 Å²	38	81.6 Å²	81.6	23%	0.233	43%	0.427	C	S	.	.	H	α-helix	trans	-74.4	-43.4	175.4	-51.4	0	0	0	0	111	V352 I353 Y354 G359	V352-T356 WeakPolarHBondContact O-CB 3.5Å; V352-T356 PolarHBondContact O-N 3.44Å; V352-T356 PolarHBondContact O-OG1 3.17Å; I353-T356 PolarHBondContact O-N 3.49Å; Y354-T356 VanDerWaalsContact C-N 3.31Å; Y354-T356 PolarHBondContact O-N 2.91Å; T356-G359 PolarHBondContact O-N 2.93Å
357	Y	90.8	Very high	88.8	Confident	209 Å²	209	84.1 Å²	84.1	82%	0.82	43%	0.428	S	S	*	.	H	α-helix	trans	-68.4	-37.6	179.8	-177.2	-99.8	0	0	0	112.9	I353 Y354 G359	I353-Y357 WeakPolarHBondContact O-CB 3.36Å; I353-Y357 PolarHBondContact O-N 2.74Å; Y354-Y357 PolarHBondContact O-N 3.19Å; Y357-G359 PolarHBondContact O-N 3.35Å
358	T	91.1	Very high	88.6	Confident	56 Å²	56	82.7 Å²	82.7	34%	0.344	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.9	176	50.8	0	0	0	0	113.6	Y354 L355 Y360	Y354-T358 HydrophobicContact CD1-CG2 4.29Å; Y354-T358 HydrophobicContact CD2-CG2 4.13Å; Y354-T358 HydrophobicContact CE1-CG2 3.92Å; Y354-T358 HydrophobicContact CE2-CG2 3.75Å; Y354-T358 HydrophobicContact CG-CG2 4.39Å; Y354-T358 WeakPolarHBondContact O-CB 3.48Å; Y354-T358 VanDerWaalsContact O-CG2 3.26Å; Y354-T358 WeakPolarHBondContact O-CG2 3.21Å; Y354-T358 PolarHBondContact O-N 2.98Å; Y354-T358 PolarHBondContact O-OG1 3.37Å; L355-T358 WeakPolarHBondContact CA-OG1 3.4Å; L355-T358 PolarHBondContact O-OG1 3.11Å; T358-Y360 VanDerWaalsContact C-N 3.35Å; T358-Y360 WeakPolarHBondContact OG1-CD2 3.28Å
359	G	88.9	Confident	88.6	Confident	58 Å²	58	84.4 Å²	84.4	60%	0.598	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	5.6	175.6	0	0	0	0	0	115.2	T356 Y357 I361	T356-G359 PolarHBondContact O-N 2.93Å; Y357-G359 PolarHBondContact O-N 3.35Å; G359-I361 VanDerWaalsContact C-N 3.3Å
360	Y	89.1	Confident	88.4	Confident	176 Å²	176	78.5 Å²	78.5	69%	0.69	40%	0.397	S	S	*	.	S	Bend	trans	-65.5	-37.8	170.4	-74	-65.3	0	0	0	111.4	L355 T358	L355-Y360 HydrophobicContact CD2-CD2 4.2Å; L355-Y360 PolarHBondContact O-N 3.34Å; T358-Y360 VanDerWaalsContact C-N 3.35Å; T358-Y360 WeakPolarHBondContact OG1-CD2 3.28Å
361	I	90.3	Very high	88.2	Confident	10 Å²	10	74.6 Å²	74.6	5%	0.051	38%	0.377	C	S	.	.	S	Bend	trans	-99.3	125.5	171.7	-61.5	170.5	0	0	0	108.3	R301 M306 L355 G359	R301-I361 CarbonylContact O-C 3.54Å; R301-I361 WeakPolarHBondContact O-CA 3.39Å; R301-I361 WeakPolarHBondContact O-CG2 3.31Å; M306-I361 HydrophobicContact CE-CD1 3.51Å; M306-I361 HydrophobicContact CG-CD1 4.17Å; M306-I361 HydrophobicContact CG-CG2 4.29Å; M306-I361 HydrophobicContact SD-CD1 3.66Å; M306-I361 HydrophobicContact SD-CG1 4.5Å; L355-I361 HydrophobicContact CB-CD1 3.5Å; L355-I361 HydrophobicContact CB-CG1 4.03Å; L355-I361 HydrophobicContact CD1-CD1 4.18Å; L355-I361 PolarHBondContact O-N 3.03Å; L355-I361 VanDerWaalsContact O-N 3.11Å; G359-I361 VanDerWaalsContact C-N 3.3Å
362	A	88.3	Confident	88.1	Confident	39 Å²	39	80.1 Å²	80.1	32%	0.322	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-66.4	140.2	173.9	0	0	0	0	0	110.6	R301 S303	R301-A362 PolarHBondContact O-N 3.15Å; S303-A362 PolarHBondContact N-O 3.11Å
363	P	90.1	Very high	88	Confident	96 Å²	96	81.3 Å²	81.3	62%	0.623	40%	0.395	S	S	*	.			trans	-65.8	174.2	177.3	30.2	-36	0	0	0	111.6
364	W	88.4	Confident	87.6	Confident	134 Å²	134	82.1 Å²	82.1	51%	0.508	40%	0.404	S	S	.	.			trans	-54.3	137.8	174.9	-61.2	76	0	0	0	111	S303 E304 F368 Y369	S303-W364 PolarHBondContact OG-NE1 3.42Å; E304-W364 HydrophobicContact CG-CE3 4.13Å; E304-W364 HydrophobicContact CG-CZ3 4.49Å; W364-F368 HydrophobicContact CE3-CB 4.38Å; W364-Y369 HydrophobicContact CB-CD2 4.32Å
365	S	85.4	Confident	87.2	Confident	50 Å²	50	76.3 Å²	76.3	35%	0.35	39%	0.39	S	S	.	.			trans	-68.7	150.1	172.3	64	0	0	0	0	110.8	E304 R367 F368 Y369	E304-S365 WeakPolarHBondContact OE1-CB 3.25Å; E304-S365 PolarHBondContact OE1-N 3.04Å; E304-S365 PolarHBondContact OE1-OG 3.27Å; S365-R367 PolarHBondContact O-N 3.02Å; S365-R367 VanDerWaalsContact O-N 3.1Å; S365-F368 PolarHBondContact O-N 3Å; S365-F368 VanDerWaalsContact O-N 3.11Å; S365-F368 VanDerWaalsContact OG-CD2 3.26Å; S365-F368 WeakPolarHBondContact OG-CD2 3.34Å; S365-Y369 WeakPolarHBondContact O-CB 3.47Å; S365-Y369 PolarHBondContact O-N 2.89Å
366	G	79.9	Confident	87	Confident	23 Å²	23	77 Å²	77	24%	0.237	39%	0.39	C	S	.	.	H	α-helix	trans	-56.1	-32.3	-174.8	0	0	0	0	0	114.2	S370	G366-S370 WeakPolarHBondContact O-CB 3.45Å; G366-S370 PolarHBondContact O-N 3.48Å; G366-S370 PolarHBondContact O-OG 2.98Å
367	R	80.3	Confident	86.5	Confident	118 Å²	118	75.7 Å²	75.7	45%	0.445	38%	0.382	S	S	.	.	H	α-helix	trans	-70.7	-39	178.6	-175.3	-179.2	178	173.9	5.6	113.3	S365 S370	S365-R367 PolarHBondContact O-N 3.02Å; S365-R367 VanDerWaalsContact O-N 3.1Å; R367-S370 PolarHBondContact O-OG 3Å
368	F	85.8	Confident	85.9	Confident	63 Å²	63	73.7 Å²	73.7	28%	0.276	38%	0.378	S	S	.	.	H	α-helix	trans	-79.8	-34.1	175.2	-71.7	-68.2	0	0	0	111	V251 E304 W364 S365 S370 L371	V251-F368 HydrophobicContact CB-CE1 4.27Å; V251-F368 HydrophobicContact CB-CZ 3.86Å; V251-F368 HydrophobicContact CG1-CE1 4.17Å; V251-F368 HydrophobicContact CG1-CE2 4.4Å; V251-F368 HydrophobicContact CG1-CZ 4Å; V251-F368 HydrophobicContact CG2-CE2 4.21Å; V251-F368 HydrophobicContact CG2-CZ 3.9Å; E304-F368 HydrophobicContact CG-CD2 4.35Å; E304-F368 WeakPolarHBondContact OE1-CD2 3.34Å; E304-F368 WeakPolarHBondContact OE2-CD2 3.24Å; E304-F368 WeakPolarHBondContact OE2-CE2 3.28Å; W364-F368 HydrophobicContact CE3-CB 4.38Å; S365-F368 PolarHBondContact O-N 3Å; S365-F368 VanDerWaalsContact O-N 3.11Å; S365-F368 VanDerWaalsContact OG-CD2 3.26Å; S365-F368 WeakPolarHBondContact OG-CD2 3.34Å; F368-S370 VanDerWaalsContact C-N 3.31Å; F368-S370 PolarHBondContact O-N 3.34Å; F368-L371 HydrophobicContact CD1-CD1 4.27Å; F368-L371 WeakPolarHBondContact O-CB 3.39Å; F368-L371 PolarHBondContact O-N 2.9Å; F368-L371 VanDerWaalsContact O-N 3.16Å
369	Y	88.4	Confident	85.4	Confident	70 Å²	70	77.1 Å²	77.1	28%	0.275	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-35.6	175.9	-170.6	-102.1	0	0	0	112.3	W364 S365 L371 W372 D373 Y376	W364-Y369 HydrophobicContact CB-CD2 4.32Å; S365-Y369 WeakPolarHBondContact O-CB 3.47Å; S365-Y369 PolarHBondContact O-N 2.89Å; Y369-L371 PolarHBondContact O-N 3.22Å; Y369-W372 HydrophobicContact CD2-CE3 4.24Å; Y369-W372 AromaticContact CE2-CE3 3.52Å; Y369-W372 HydrophobicContact CE2-CE3 3.52Å; Y369-W372 AromaticContact CE2-CZ3 3.77Å; Y369-W372 HydrophobicContact CE2-CZ3 3.77Å; Y369-W372 AromaticContact CZ-CE3 3.79Å; Y369-W372 AromaticContact CZ-CZ3 3.83Å; Y369-W372 PolarHBondContact O-N 3.45Å; Y369-W372 WeakPolarHBondContact OH-CZ3 3.21Å; Y369-D373 HydrophobicContact CD1-CB 4.3Å; Y369-D373 HydrophobicContact CE1-CB 3.73Å; Y369-D373 PolarHBondContact O-N 2.99Å; Y369-Y376 AromaticContact CD1-CD1 3.84Å; Y369-Y376 HydrophobicContact CD1-CD1 3.84Å; Y369-Y376 HydrophobicContact CD1-CD2 4.08Å; Y369-Y376 HydrophobicContact CD1-CE1 4.31Å; Y369-Y376 AromaticContact CD1-CG 3.72Å; Y369-Y376 HydrophobicContact CD1-CG 3.72Å; Y369-Y376 HydrophobicContact CE1-CD1 4.33Å; Y369-Y376 AromaticContact CE1-CD2 3.72Å; Y369-Y376 HydrophobicContact CE1-CD2 3.72Å; Y369-Y376 HydrophobicContact CE1-CE2 4.27Å; Y369-Y376 AromaticContact CE1-CG 3.75Å; Y369-Y376 HydrophobicContact CE1-CG 3.75Å
370	S	86.1	Confident	85	Confident	13 Å²	13	80 Å²	80	9%	0.091	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.7	175.9	60.6	0	0	0	0	114.5	G366 R367 F368 W372 D373	G366-S370 WeakPolarHBondContact O-CB 3.45Å; G366-S370 PolarHBondContact O-N 3.48Å; G366-S370 PolarHBondContact O-OG 2.98Å; R367-S370 PolarHBondContact O-OG 3Å; F368-S370 VanDerWaalsContact C-N 3.31Å; F368-S370 PolarHBondContact O-N 3.34Å; S370-W372 VanDerWaalsContact C-N 3.3Å; S370-D373 WeakPolarHBondContact CA-O 3.35Å; S370-D373 CarbonylContact O-C 3.54Å
371	L	86.4	Confident	84.7	Confident	21 Å²	21	73.5 Å²	73.5	11%	0.11	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-20.7	172.8	-61.1	175.3	0	0	0	112.1	F368 Y369 F437 V440 M441 L444	F368-L371 HydrophobicContact CD1-CD1 4.27Å; F368-L371 WeakPolarHBondContact O-CB 3.39Å; F368-L371 PolarHBondContact O-N 2.9Å; F368-L371 VanDerWaalsContact O-N 3.16Å; Y369-L371 PolarHBondContact O-N 3.22Å; L371-F437 HydrophobicContact CB-CD1 4.39Å; L371-F437 HydrophobicContact CB-CE1 4.29Å; L371-F437 HydrophobicContact CD1-CD1 4.27Å; L371-F437 HydrophobicContact CD1-CE1 4.38Å; L371-V440 HydrophobicContact CD2-CG1 4.28Å; L371-M441 HydrophobicContact CD2-CB 4.05Å; L371-M441 HydrophobicContact CD2-SD 3.89Å; L371-L444 HydrophobicContact CD1-CD1 4Å; L371-L444 HydrophobicContact CD2-CD1 3.89Å
372	W	87.8	Confident	84.4	Confident	183 Å²	183	74.3 Å²	74.3	69%	0.693	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-53.4	175	-176.5	71.3	0	0	0	111	Y369 S370	Y369-W372 HydrophobicContact CD2-CE3 4.24Å; Y369-W372 AromaticContact CE2-CE3 3.52Å; Y369-W372 HydrophobicContact CE2-CE3 3.52Å; Y369-W372 AromaticContact CE2-CZ3 3.77Å; Y369-W372 HydrophobicContact CE2-CZ3 3.77Å; Y369-W372 AromaticContact CZ-CE3 3.79Å; Y369-W372 AromaticContact CZ-CZ3 3.83Å; Y369-W372 PolarHBondContact O-N 3.45Å; Y369-W372 WeakPolarHBondContact OH-CZ3 3.21Å; S370-W372 VanDerWaalsContact C-N 3.3Å
373	D	88	Confident	84.1	Confident	58 Å²	58	72.9 Å²	72.9	31%	0.31	36%	0.36	S	S	.	.			trans	-101.6	96.4	173.1	-176.4	-4.6	0	0	0	110.4	Y369 S370 G375 Y376	Y369-D373 HydrophobicContact CD1-CB 4.3Å; Y369-D373 HydrophobicContact CE1-CB 3.73Å; Y369-D373 PolarHBondContact O-N 2.99Å; S370-D373 WeakPolarHBondContact CA-O 3.35Å; S370-D373 CarbonylContact O-C 3.54Å; D373-G375 PolarHBondContact O-N 3.39Å; D373-G375 PolarHBondContact OD1-N 3.48Å; D373-Y376 PolarHBondContact O-N 3.28Å; D373-Y376 PolarHBondContact OD1-N 3.07Å
374	T	82.4	Confident	83.7	Confident	101 Å²	101	69.6 Å²	69.6	62%	0.62	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-15.1	-176.9	56.7	0	0	0	0	113.8	V440	T374-V440 HydrophobicContact CG2-CG1 3.75Å
375	G	82.4	Confident	83.5	Confident	29 Å²	29	63.8 Å²	63.8	30%	0.299	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-26	176.6	0	0	0	0	0	113.7	D373 A377 K378 I379	D373-G375 PolarHBondContact O-N 3.39Å; D373-G375 PolarHBondContact OD1-N 3.48Å; G375-A377 PolarHBondContact O-N 3Å; G375-K378 PolarHBondContact O-N 3.04Å; G375-I379 PolarHBondContact O-N 2.93Å
376	Y	85.9	Confident	83.3	Confident	73 Å²	73	62.4 Å²	62.4	29%	0.286	31%	0.308	S	S	.	.	H	α-helix	trans	-59.1	-47.4	-170.3	-175	-95.7	0	0	0	113.4	Y369 D373 K378 I379 H380 I381	Y369-Y376 AromaticContact CD1-CD1 3.84Å; Y369-Y376 HydrophobicContact CD1-CD1 3.84Å; Y369-Y376 HydrophobicContact CD1-CD2 4.08Å; Y369-Y376 HydrophobicContact CD1-CE1 4.31Å; Y369-Y376 AromaticContact CD1-CG 3.72Å; Y369-Y376 HydrophobicContact CD1-CG 3.72Å; Y369-Y376 HydrophobicContact CE1-CD1 4.33Å; Y369-Y376 AromaticContact CE1-CD2 3.72Å; Y369-Y376 HydrophobicContact CE1-CD2 3.72Å; Y369-Y376 HydrophobicContact CE1-CE2 4.27Å; Y369-Y376 AromaticContact CE1-CG 3.75Å; Y369-Y376 HydrophobicContact CE1-CG 3.75Å; D373-Y376 PolarHBondContact O-N 3.28Å; D373-Y376 PolarHBondContact OD1-N 3.07Å; Y376-K378 VanDerWaalsContact C-N 3.32Å; Y376-K378 PolarHBondContact O-N 2.76Å; Y376-I379 PolarHBondContact O-N 3.36Å; Y376-H380 AromaticContact CD2-CD2 3.44Å; Y376-H380 VanDerWaalsContact CD2-CD2 3.44Å; Y376-H380 WeakPolarHBondContact CD2-CD2 3.25Å; Y376-H380 HydrophobicContact CE1-CB 4.25Å; Y376-H380 HydrophobicContact CE2-CB 4.2Å; Y376-H380 AromaticContact CE2-CD2 3.4Å; Y376-H380 VanDerWaalsContact CE2-CD2 3.4Å; Y376-H380 WeakPolarHBondContact CE2-CD2 3.34Å; Y376-H380 AromaticContact CE2-CG 3.93Å; Y376-H380 PolarHBondContact O-N 3.45Å; Y376-I381 HydrophobicContact CE1-CD1 4.15Å; Y376-I381 HydrophobicContact CE1-CG1 4.49Å
377	A	80.3	Confident	83.5	Confident	10 Å²	10	63.1 Å²	63.1	8%	0.083	31%	0.307	C	S	.	.	H	α-helix	trans	-60.4	-41.7	-177.2	0	0	0	0	0	112.1	G375 I379 I381 I384	G375-A377 PolarHBondContact O-N 3Å; A377-I379 VanDerWaalsContact C-N 3.31Å; A377-I379 PolarHBondContact O-N 3.04Å; A377-I381 CarbonylContact O-C 3.58Å; A377-I381 PolarHBondContact O-N 3.27Å; A377-I381 VanDerWaalsContact O-N 3.14Å; A377-I384 HydrophobicContact CB-CB 4.11Å; A377-I384 HydrophobicContact CB-CG2 3.92Å
378	K	78.4	Confident	83.5	Confident	166 Å²	166	62.1 Å²	62.1	72%	0.722	32%	0.319	S	S	*	.	H	α-helix	trans	-68.3	-31.6	-177.2	-171.1	175.3	178.9	-179.8	0	112.7	G375 Y376 A385	G375-K378 PolarHBondContact O-N 3.04Å; Y376-K378 VanDerWaalsContact C-N 3.32Å; Y376-K378 PolarHBondContact O-N 2.76Å; K378-A385 HydrophobicContact CB-CB 4.32Å
379	I	81.6	Confident	83.1	Confident	128 Å²	128	60.9 Å²	60.9	66%	0.656	31%	0.313	S	S	*	.	H	α-helix	trans	-88.5	-46.8	-175.4	-61.8	170.8	0	0	0	111.2	G375 Y376 A377	G375-I379 PolarHBondContact O-N 2.93Å; Y376-I379 PolarHBondContact O-N 3.36Å; A377-I379 VanDerWaalsContact C-N 3.31Å; A377-I379 PolarHBondContact O-N 3.04Å
380	H	80.5	Confident	82.9	Confident	118 Å²	118	59.4 Å²	59.4	55%	0.546	31%	0.309	S	S	.	.	H	α-helix	trans	-102.1	-28.7	-168	-66	-68.2	0	0	0	114.2	Y376	Y376-H380 AromaticContact CD2-CD2 3.44Å; Y376-H380 VanDerWaalsContact CD2-CD2 3.44Å; Y376-H380 WeakPolarHBondContact CD2-CD2 3.25Å; Y376-H380 HydrophobicContact CE1-CB 4.25Å; Y376-H380 HydrophobicContact CE2-CB 4.2Å; Y376-H380 AromaticContact CE2-CD2 3.4Å; Y376-H380 VanDerWaalsContact CE2-CD2 3.4Å; Y376-H380 WeakPolarHBondContact CE2-CD2 3.34Å; Y376-H380 AromaticContact CE2-CG 3.93Å; Y376-H380 PolarHBondContact O-N 3.45Å
381	I	81.3	Confident	82.8	Confident	41 Å²	41	63.1 Å²	63.1	21%	0.21	33%	0.325	C	S	.	.			trans	-137.3	78.2	-175.5	-48.5	179.3	0	0	0	109.5	Y376 A377 I383 I384	Y376-I381 HydrophobicContact CE1-CD1 4.15Å; Y376-I381 HydrophobicContact CE1-CG1 4.49Å; A377-I381 CarbonylContact O-C 3.58Å; A377-I381 PolarHBondContact O-N 3.27Å; A377-I381 VanDerWaalsContact O-N 3.14Å; I381-I383 HydrophobicContact CG2-CB 4.5Å; I381-I383 PolarHBondContact O-N 2.94Å; I381-I384 HydrophobicContact CB-CD1 4.01Å; I381-I384 HydrophobicContact CB-CG1 4.3Å; I381-I384 HydrophobicContact CD1-CD1 4.06Å; I381-I384 HydrophobicContact CG2-CD1 3.81Å; I381-I384 HydrophobicContact CG2-CG1 3.78Å; I381-I384 PolarHBondContact O-N 3.38Å
382	P	83.8	Confident	82.9	Confident	26 Å²	26	66 Å²	66	17%	0.169	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-23.4	-172.7	24	-34.1	0	0	0	113.3	I384 A385 S386 W661 R664 I665	P382-I384 VanDerWaalsContact C-N 3.33Å; P382-I384 PolarHBondContact O-N 3.48Å; P382-A385 PolarHBondContact O-N 3.04Å; P382-S386 WeakPolarHBondContact O-CB 3.35Å; P382-S386 PolarHBondContact O-N 3.46Å; P382-W661 HydrophobicContact CB-CZ3 4.39Å; P382-R664 HydrophobicContact CB-CB 4.45Å; P382-I665 HydrophobicContact CB-CG1 4.49Å; P382-I665 HydrophobicContact CG-CG1 4.21Å
383	I	83.9	Confident	83	Confident	9 Å²	9	58.2 Å²	58.2	5%	0.046	32%	0.318	C	S	.	.	H	α-helix	trans	-58.4	-43.8	175.2	-62.7	172	0	0	0	111.1	I381 A385 S386 T609 N612 I615 I665	I381-I383 HydrophobicContact CG2-CB 4.5Å; I381-I383 PolarHBondContact O-N 2.94Å; I383-A385 PolarHBondContact O-N 2.9Å; I383-S386 PolarHBondContact O-N 2.82Å; I383-S386 PolarHBondContact O-OG 3.23Å; I383-T609 HydrophobicContact CG2-CG2 4.03Å; I383-N612 HydrophobicContact CD1-CB 3.72Å; I383-N612 VanDerWaalsContact CD1-CG 3.44Å; I383-N612 WeakPolarHBondContact CD1-OD1 3.21Å; I383-I615 HydrophobicContact CD1-CD1 4.28Å; I383-I665 HydrophobicContact CD1-CG2 4.01Å; I383-I665 HydrophobicContact CG1-CD1 3.71Å; I383-I665 HydrophobicContact CG1-CG1 3.71Å; I383-I665 HydrophobicContact CG1-CG2 4.01Å
384	I	81.3	Confident	83.3	Confident	28 Å²	28	59.3 Å²	59.3	14%	0.144	33%	0.326	C	S	.	.	H	α-helix	trans	-66.1	-42.7	179.8	-60.9	173.9	0	0	0	110	A377 I381 P382 S386 H390	A377-I384 HydrophobicContact CB-CB 4.11Å; A377-I384 HydrophobicContact CB-CG2 3.92Å; I381-I384 HydrophobicContact CB-CD1 4.01Å; I381-I384 HydrophobicContact CB-CG1 4.3Å; I381-I384 HydrophobicContact CD1-CD1 4.06Å; I381-I384 HydrophobicContact CG2-CD1 3.81Å; I381-I384 HydrophobicContact CG2-CG1 3.78Å; I381-I384 PolarHBondContact O-N 3.38Å; P382-I384 VanDerWaalsContact C-N 3.33Å; P382-I384 PolarHBondContact O-N 3.48Å; I384-S386 VanDerWaalsContact C-N 3.27Å; I384-S386 PolarHBondContact O-N 2.98Å; I384-H390 WeakPolarHBondContact O-CB 3.23Å; I384-H390 PolarHBondContact O-CD2 3.37Å
385	A	83.4	Confident	83.8	Confident	11 Å²	11	64 Å²	64	9%	0.091	33%	0.333	C	S	.	.	H	α-helix	trans	-71.9	-20.8	179.6	0	0	0	0	0	113.7	K378 P382 I383 V387 Q391 W661	K378-A385 HydrophobicContact CB-CB 4.32Å; P382-A385 PolarHBondContact O-N 3.04Å; I383-A385 PolarHBondContact O-N 2.9Å; A385-V387 VanDerWaalsContact C-N 3.32Å; A385-V387 PolarHBondContact O-N 3.36Å; A385-Q391 PolarHBondContact O-NE2 2.93Å; A385-Q391 VanDerWaalsContact O-NE2 3.12Å; A385-W661 HydrophobicContact CB-CH2 4.31Å
386	S	82.6	Confident	84.4	Confident	22 Å²	22	66.1 Å²	66.1	15%	0.154	34%	0.34	C	S	.	.	H	α-helix	trans	-71	-25.3	-178.1	74.3	0	0	0	0	113.7	P382 I383 I384 S388	P382-S386 WeakPolarHBondContact O-CB 3.35Å; P382-S386 PolarHBondContact O-N 3.46Å; I383-S386 PolarHBondContact O-N 2.82Å; I383-S386 PolarHBondContact O-OG 3.23Å; I384-S386 VanDerWaalsContact C-N 3.27Å; I384-S386 PolarHBondContact O-N 2.98Å; S386-S388 PolarHBondContact O-N 2.92Å
387	V	82.5	Confident	84.6	Confident	37 Å²	37	64.5 Å²	64.5	22%	0.224	34%	0.339	C	S	.	.	S	Bend	trans	-75.1	124.8	178.6	-166.2	0	0	0	0	109.4	A385 E389 H390 W589	A385-V387 VanDerWaalsContact C-N 3.32Å; A385-V387 PolarHBondContact O-N 3.36Å; V387-E389 HydrophobicContact CG1-CB 4Å; V387-E389 HydrophobicContact CG1-CG 4.01Å; V387-E389 PolarHBondContact O-N 3.5Å; V387-E389 VanDerWaalsContact O-N 3.14Å; V387-H390 PolarHBondContact O-N 3.41Å; V387-H390 VanDerWaalsContact O-N 3.1Å; V387-W589 HydrophobicContact CG2-CH2 4.06Å
388	S	80.3	Confident	85.3	Confident	98 Å²	98	65.9 Å²	65.9	69%	0.685	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-57.9	-29.8	179.8	56.6	0	0	0	0	113	S386 H390 Q391	S386-S388 PolarHBondContact O-N 2.92Å; S388-H390 VanDerWaalsContact C-N 3.27Å; S388-H390 PolarHBondContact O-N 3.32Å; S388-Q391 WeakPolarHBondContact O-CB 3.47Å; S388-Q391 WeakPolarHBondContact O-CG 3.5Å; S388-Q391 PolarHBondContact O-N 3.45Å
389	E	78.4	Confident	86	Confident	36 Å²	36	62.6 Å²	62.6	17%	0.168	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-68.1	-21.9	179.9	-54.3	-171.7	155.5	0	0	114.7	R198 V387 Q391 M441 R443	R198-E389 IonicContact CZ-OE1 2.66Å; R198-E389 IonicContact CZ-OE2 3.8Å; R198-E389 IonicContact NH1-OE1 2.61Å; R198-E389 PolarHBondContact NH1-OE1 2.67Å; R198-E389 IonicContact NH1-OE2 3.7Å; R198-E389 IonicContact NH2-OE1 3.24Å; R198-E389 PolarHBondContact NH2-OE1 2.92Å; R198-E389 IonicContact NH2-OE2 3.64Å; V387-E389 HydrophobicContact CG1-CB 4Å; V387-E389 HydrophobicContact CG1-CG 4.01Å; V387-E389 PolarHBondContact O-N 3.5Å; V387-E389 VanDerWaalsContact O-N 3.14Å; E389-Q391 VanDerWaalsContact C-N 3.3Å; E389-M441 WeakPolarHBondContact O-CG 3.5Å; E389-R443 HydrophobicContact CB-CB 4.25Å; E389-R443 PolarHBondContact O-N 3.39Å; E389-R443 VanDerWaalsContact OE2-CD 3.29Å; E389-R443 WeakPolarHBondContact OE2-CD 3.3Å; E389-R443 IonicContact OE2-CZ 3.23Å; E389-R443 IonicContact OE2-NE 2.73Å; E389-R443 IonicContact OE2-NH1 3.72Å; E389-R443 PolarHBondContact OE2-NH1 3.36Å
390	H	83.6	Confident	86.7	Confident	39 Å²	39	59.3 Å²	59.3	18%	0.181	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-85.4	-3	-179.5	-75.2	-53	0	0	0	113.1	I384 V387 S388 M441	I384-H390 WeakPolarHBondContact O-CB 3.23Å; I384-H390 PolarHBondContact O-CD2 3.37Å; V387-H390 PolarHBondContact O-N 3.41Å; V387-H390 VanDerWaalsContact O-N 3.1Å; S388-H390 VanDerWaalsContact C-N 3.27Å; S388-H390 PolarHBondContact O-N 3.32Å; H390-M441 WeakPolarHBondContact CE1-CE 3.44Å; H390-M441 WeakPolarHBondContact ND1-CE 3.47Å; H390-M441 PolarHBondContact ND1-SD 3.47Å
391	Q	85	Confident	87.3	Confident	91 Å²	91	54.4 Å²	54.4	43%	0.425	29%	0.288	S	S	.	.	S	Bend	trans	-73.7	155.9	177.8	-62.5	-62.1	-35.1	0	0	111.6	A385 S388 E389 V442	A385-Q391 PolarHBondContact O-NE2 2.93Å; A385-Q391 VanDerWaalsContact O-NE2 3.12Å; S388-Q391 WeakPolarHBondContact O-CB 3.47Å; S388-Q391 WeakPolarHBondContact O-CG 3.5Å; S388-Q391 PolarHBondContact O-N 3.45Å; E389-Q391 VanDerWaalsContact C-N 3.3Å; Q391-V442 VanDerWaalsContact O-CG2 3.24Å; Q391-V442 WeakPolarHBondContact O-CG2 3.36Å; Q391-V442 PolarHBondContact O-N 3.41Å
392	P	88.5	Confident	87.9	Confident	83 Å²	83	52.6 Å²	52.6	54%	0.539	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-69.5	149.8	175.7	28.5	-34.8	0	0	0	112.2	V440	P392-V440 WeakPolarHBondContact CA-O 3.48Å
393	T	89.9	Confident	88.4	Confident	18 Å²	18	52.7 Å²	52.7	11%	0.11	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-80.8	137.5	177.5	50	0	0	0	0	111.8	F398 A438 G439 V442	T393-F398 WeakPolarHBondContact OG1-CE2 3.2Å; T393-A438 WeakPolarHBondContact CG2-O 3.14Å; T393-A438 PolarHBondContact OG1-O 2.92Å; T393-G439 WeakPolarHBondContact OG1-CA 3.48Å; T393-G439 PolarHBondContact OG1-O 3.35Å; T393-V442 VanDerWaalsContact CG2-CA 3.42Å; T393-V442 HydrophobicContact CG2-CB 3.95Å; T393-V442 HydrophobicContact CG2-CG1 4.49Å; T393-V442 HydrophobicContact CG2-CG2 3.51Å
394	T	92.7	Very high	88.9	Confident	81 Å²	81	53.1 Å²	53.1	50%	0.497	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-86.8	160.2	166.8	67.2	0	0	0	0	110.8	V396 S397 F398	T394-V396 PolarHBondContact O-N 2.74Å; T394-S397 WeakPolarHBondContact O-CB 3.46Å; T394-S397 PolarHBondContact O-N 3.01Å; T394-S397 VanDerWaalsContact O-N 3.11Å; T394-F398 PolarHBondContact O-N 3.31Å
395	W	93.9	Very high	89.5	Confident	199 Å²	199	51.8 Å²	51.8	75%	0.754	27%	0.272	S	S	*	.	H	α-helix	trans	-59.5	-26.7	175.7	71	-93	0	0	0	112.9	S397 F398 F399	W395-S397 VanDerWaalsContact C-N 3.33Å; W395-S397 PolarHBondContact O-N 3.45Å; W395-F398 PolarHBondContact O-N 3.41Å; W395-F399 PolarHBondContact O-N 2.84Å
396	V	94	Very high	90	Very high	75 Å²	75	53.3 Å²	53.3	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-44.1	176.4	-178.8	0	0	0	0	110	T394 F399 F400	T394-V396 PolarHBondContact O-N 2.74Å; V396-F399 PolarHBondContact O-N 2.96Å; V396-F400 WeakPolarHBondContact O-CB 3.45Å; V396-F400 PolarHBondContact O-N 3.3Å
397	S	91.8	Very high	90.5	Very high	38 Å²	38	56.7 Å²	56.7	27%	0.266	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-43.3	176.2	-55.4	0	0	0	0	111.8	T394 W395 F399 F400 D401	T394-S397 WeakPolarHBondContact O-CB 3.46Å; T394-S397 PolarHBondContact O-N 3.01Å; T394-S397 VanDerWaalsContact O-N 3.11Å; W395-S397 VanDerWaalsContact C-N 3.33Å; W395-S397 PolarHBondContact O-N 3.45Å; S397-F399 VanDerWaalsContact C-N 3.32Å; S397-F399 PolarHBondContact O-N 3.5Å; S397-F400 PolarHBondContact O-N 2.97Å; S397-D401 PolarHBondContact O-N 3.24Å
398	F	93.3	Very high	91.1	Very high	40 Å²	40	56.4 Å²	56.4	18%	0.175	30%	0.302	C	S	.	.	H	α-helix	trans	-57	-44.4	175.3	-78.9	-74.3	0	0	0	112.8	T393 T394 W395 L402 V406 A438 M445 L448	T393-F398 WeakPolarHBondContact OG1-CE2 3.2Å; T394-F398 PolarHBondContact O-N 3.31Å; W395-F398 PolarHBondContact O-N 3.41Å; F398-L402 WeakPolarHBondContact O-CB 3.32Å; F398-L402 PolarHBondContact O-N 3.47Å; F398-V406 HydrophobicContact CB-CG2 4.46Å; F398-A438 HydrophobicContact CE1-CB 4.25Å; F398-A438 HydrophobicContact CZ-CB 4.3Å; F398-M445 HydrophobicContact CD1-CE 4.04Å; F398-L448 HydrophobicContact CD1-CD2 4.21Å; F398-L448 HydrophobicContact CE1-CD2 3.61Å
399	F	94.9	Very high	91.7	Very high	96 Å²	96	53 Å²	53	42%	0.421	28%	0.275	S	S	.	.	H	α-helix	trans	-73.9	-38.2	178.8	-169.8	-98.1	0	0	0	112.4	W395 V396 S397 D401 H403 V406	W395-F399 PolarHBondContact O-N 2.84Å; V396-F399 PolarHBondContact O-N 2.96Å; S397-F399 VanDerWaalsContact C-N 3.32Å; S397-F399 PolarHBondContact O-N 3.5Å; F399-D401 VanDerWaalsContact C-N 3.34Å; F399-D401 PolarHBondContact O-N 2.92Å; F399-H403 WeakPolarHBondContact O-CA 3.31Å; F399-H403 PolarHBondContact O-N 3.49Å; F399-V406 HydrophobicContact CD2-CG1 4.16Å
400	F	94.4	Very high	92.5	Very high	60 Å²	60	54.5 Å²	54.5	26%	0.263	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-41.8	179.8	-170.9	-104.7	0	0	0	111.9	V396 S397 H537 W540 V541 A545 Y546	V396-F400 WeakPolarHBondContact O-CB 3.45Å; V396-F400 PolarHBondContact O-N 3.3Å; S397-F400 PolarHBondContact O-N 2.97Å; F400-H537 PolarHBondContact O-NE2 2.68Å; F400-W540 AromaticContact CE2-CZ3 3.97Å; F400-W540 HydrophobicContact CE2-CZ3 3.97Å; F400-V541 HydrophobicContact CD1-CG1 4.11Å; F400-V541 HydrophobicContact CD2-CG2 4.34Å; F400-V541 HydrophobicContact CE1-CG1 3.45Å; F400-V541 VanDerWaalsContact CE1-CG1 3.45Å; F400-V541 HydrophobicContact CE1-CG2 4.34Å; F400-V541 HydrophobicContact CE2-CG1 4.46Å; F400-V541 HydrophobicContact CE2-CG2 3.93Å; F400-V541 HydrophobicContact CZ-CB 4.31Å; F400-V541 HydrophobicContact CZ-CG1 3.65Å; F400-V541 HydrophobicContact CZ-CG2 3.92Å; F400-A545 HydrophobicContact CE1-CB 3.96Å; F400-A545 HydrophobicContact CZ-CB 3.74Å; F400-Y546 HydrophobicContact CE1-CE2 4.31Å
401	D	93.4	Very high	93	Very high	15 Å²	15	54.8 Å²	54.8	8%	0.08	30%	0.296	C	S	.	.	H	α-helix	trans	-86.6	-25.4	-174.4	-66.2	14.1	0	0	0	113.6	P193 G194 S397 F399 M445 Y546	P193-D401 VanDerWaalsContact CD-O 3.29Å; P193-D401 WeakPolarHBondContact CD-O 3.05Å; G194-D401 PolarHBondContact N-O 3.35Å; S397-D401 PolarHBondContact O-N 3.24Å; F399-D401 VanDerWaalsContact C-N 3.34Å; F399-D401 PolarHBondContact O-N 2.92Å; D401-M445 HydrophobicContact CB-CE 3.3Å; D401-M445 HydrophobicContact CB-SD 4.31Å; D401-M445 VanDerWaalsContact OD2-CE 3.31Å; D401-M445 WeakPolarHBondContact OD2-CE 3.25Å; D401-Y546 PolarHBondContact OD1-OH 3.31Å
402	L	93.6	Very high	93.3	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-121.5	-12.7	-169.2	-58.6	170.8	0	0	0	114.4	V192 F398 I404 L405 V406 M445 T449 V452	V192-L402 HydrophobicContact CG2-CD2 3.9Å; F398-L402 WeakPolarHBondContact O-CB 3.32Å; F398-L402 PolarHBondContact O-N 3.47Å; L402-I404 PolarHBondContact O-N 2.88Å; L402-I404 VanDerWaalsContact O-N 3.14Å; L402-L405 HydrophobicContact CB-CB 4.39Å; L402-L405 VanDerWaalsContact O-CB 3.28Å; L402-L405 WeakPolarHBondContact O-CB 3.43Å; L402-L405 WeakPolarHBondContact O-CG 3.31Å; L402-L405 PolarHBondContact O-N 2.83Å; L402-V406 HydrophobicContact CB-CB 4.22Å; L402-M445 HydrophobicContact CD1-CE 3.96Å; L402-M445 HydrophobicContact CG-CE 4.05Å; L402-T449 HydrophobicContact CD2-CG2 4.32Å; L402-V452 HydrophobicContact CD1-CG1 4.23Å; L402-V452 HydrophobicContact CD1-CG2 4.32Å; L402-V452 HydrophobicContact CD2-CG1 4.18Å
403	H	94.6	Very high	93.6	Very high	29 Å²	29	48 Å²	48	13%	0.134	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	43.3	-114.1	177.8	-167.1	72.4	0	0	0	113.5	F399 L405 V406 F534 H537	F399-H403 WeakPolarHBondContact O-CA 3.31Å; F399-H403 PolarHBondContact O-N 3.49Å; H403-L405 VanDerWaalsContact C-N 3.28Å; H403-L405 PolarHBondContact O-N 3.47Å; H403-V406 WeakPolarHBondContact O-CG1 2.85Å; H403-F534 HydrophobicContact CB-CD2 4.08Å; H403-H537 AromaticContact CG-CD2 3.87Å; H403-H537 AromaticContact CG-CG 3.71Å; H403-H537 AromaticContact ND1-CD2 3.96Å; H403-H537 AromaticContact ND1-CE1 3.85Å; H403-H537 AromaticContact ND1-CG 3.49Å; H403-H537 AromaticContact ND1-ND1 3.43Å; H403-H537 PolarHBondContact ND1-ND1 3.26Å
404	I	94.3	Very high	93.8	Very high	17 Å²	17	54.1 Å²	54.1	9%	0.087	28%	0.279	C	S	.	.	H	α-helix	trans	-69.8	-21.2	-179.5	61.3	169.7	0	0	0	114.1	L402 V406 C407 T408 F460 L530 L531 F534	L402-I404 PolarHBondContact O-N 2.88Å; L402-I404 VanDerWaalsContact O-N 3.14Å; I404-V406 VanDerWaalsContact C-N 3.31Å; I404-V406 PolarHBondContact O-N 3.31Å; I404-C407 PolarHBondContact O-N 3.16Å; I404-T408 PolarHBondContact O-N 3.34Å; I404-T408 PolarHBondContact O-OG1 3.26Å; I404-F460 HydrophobicContact CD1-CE2 4.1Å; I404-F460 HydrophobicContact CD1-CZ 3.83Å; I404-L530 HydrophobicContact CD1-CB 4.45Å; I404-L530 HydrophobicContact CG2-CD2 4.45Å; I404-L531 HydrophobicContact CD1-CD2 4.31Å; I404-F534 HydrophobicContact CD1-CB 3.56Å; I404-F534 HydrophobicContact CD1-CD2 4.27Å; I404-F534 HydrophobicContact CD1-CG 3.97Å; I404-F534 HydrophobicContact CG1-CB 3.82Å; I404-F534 HydrophobicContact CG1-CD2 3.73Å; I404-F534 HydrophobicContact CG1-CG 3.95Å
405	L	94	Very high	93.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70.1	-32.8	-173.3	-52.1	177.3	0	0	0	110.8	F188 V192 L402 H403 C407 T408 F409 V452 S456 F534	F188-L405 HydrophobicContact CD1-CD2 4.17Å; F188-L405 HydrophobicContact CD2-CD2 3.91Å; F188-L405 HydrophobicContact CE1-CD2 4.22Å; F188-L405 HydrophobicContact CE2-CD2 3.96Å; F188-L405 HydrophobicContact CG-CD2 4.02Å; F188-L405 HydrophobicContact CZ-CD2 4.13Å; V192-L405 HydrophobicContact CG2-CD1 4.11Å; L402-L405 HydrophobicContact CB-CB 4.39Å; L402-L405 VanDerWaalsContact O-CB 3.28Å; L402-L405 WeakPolarHBondContact O-CB 3.43Å; L402-L405 WeakPolarHBondContact O-CG 3.31Å; L402-L405 PolarHBondContact O-N 2.83Å; H403-L405 VanDerWaalsContact C-N 3.28Å; H403-L405 PolarHBondContact O-N 3.47Å; L405-C407 VanDerWaalsContact C-N 3.28Å; L405-C407 PolarHBondContact O-N 3.39Å; L405-T408 PolarHBondContact O-N 2.98Å; L405-T408 PolarHBondContact O-OG1 2.96Å; L405-F409 WeakPolarHBondContact O-CB 3.41Å; L405-F409 PolarHBondContact O-N 3.48Å; L405-V452 HydrophobicContact CB-CG1 3.58Å; L405-V452 HydrophobicContact CD1-CG1 4.5Å; L405-S456 WeakPolarHBondContact CD2-OG 3.28Å; L405-F534 HydrophobicContact CD1-CE2 3.73Å; L405-F534 HydrophobicContact CD1-CZ 3.72Å; L405-F534 HydrophobicContact CD2-CE2 4.29Å; L405-F534 HydrophobicContact CD2-CZ 4.38Å; L405-F534 HydrophobicContact CG-CD2 4.39Å; L405-F534 HydrophobicContact CG-CE2 3.72Å; L405-F534 HydrophobicContact CG-CZ 4.09Å
406	V	94.3	Very high	93.6	Very high	44 Å²	44	43.9 Å²	43.9	27%	0.267	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-33.7	178.1	78.2	0	0	0	0	112.1	F398 F399 L402 H403 I404 P410	F398-V406 HydrophobicContact CB-CG2 4.46Å; F399-V406 HydrophobicContact CD2-CG1 4.16Å; L402-V406 HydrophobicContact CB-CB 4.22Å; H403-V406 WeakPolarHBondContact O-CG1 2.85Å; I404-V406 VanDerWaalsContact C-N 3.31Å; I404-V406 PolarHBondContact O-N 3.31Å; V406-P410 WeakPolarHBondContact O-CD 3.38Å
407	C	93.5	Very high	93.5	Very high	92 Å²	92	44.2 Å²	44.2	62%	0.622	23%	0.232	S	C	*	.	H	α-helix	trans	-78	-35.2	179.8	-59.9	0	0	0	0	112.4	I404 L405 P410	I404-C407 PolarHBondContact O-N 3.16Å; L405-C407 VanDerWaalsContact C-N 3.28Å; L405-C407 PolarHBondContact O-N 3.39Å; C407-P410 WeakPolarHBondContact O-CD 3.48Å
408	T	93.9	Very high	93.4	Very high	32 Å²	32	49 Å²	49	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-90.1	-18.3	-176.7	51.7	0	0	0	0	113.2	I404 L405 A411 G412 S456 F460	I404-T408 PolarHBondContact O-N 3.34Å; I404-T408 PolarHBondContact O-OG1 3.26Å; L405-T408 PolarHBondContact O-N 2.98Å; L405-T408 PolarHBondContact O-OG1 2.96Å; T408-A411 WeakPolarHBondContact O-CB 3.43Å; T408-A411 PolarHBondContact O-N 3.34Å; T408-G412 PolarHBondContact O-N 3.04Å; T408-G412 VanDerWaalsContact O-N 3.07Å; T408-S456 PolarHBondContact OG1-OG 2.93Å; T408-F460 HydrophobicContact CG2-CE2 3.81Å; T408-F460 HydrophobicContact CG2-CZ 3.87Å
409	F	93.6	Very high	93.2	Very high	26 Å²	26	51.3 Å²	51.3	11%	0.114	26%	0.262	C	S	.	.	H	α-helix	trans	-53.8	-48.4	176.8	156.8	-98.2	0	0	0	114	L405 A411 G412 L413 A431 V435 V452 L455	L405-F409 WeakPolarHBondContact O-CB 3.41Å; L405-F409 PolarHBondContact O-N 3.48Å; F409-A411 VanDerWaalsContact C-N 3.29Å; F409-A411 PolarHBondContact O-N 3.03Å; F409-G412 PolarHBondContact O-N 3.19Å; F409-L413 PolarHBondContact O-N 3.14Å; F409-A431 HydrophobicContact CE2-CB 3.96Å; F409-A431 HydrophobicContact CZ-CB 4.11Å; F409-V435 HydrophobicContact CE1-CG2 3.8Å; F409-V435 HydrophobicContact CE2-CG2 4.45Å; F409-V435 HydrophobicContact CZ-CG2 3.52Å; F409-V452 HydrophobicContact CB-CG1 4.29Å; F409-V452 HydrophobicContact CD2-CB 4.41Å; F409-V452 HydrophobicContact CD2-CG2 3.9Å; F409-V452 HydrophobicContact CE2-CG2 4.25Å; F409-V452 HydrophobicContact CG-CG2 4.29Å; F409-L455 HydrophobicContact CD2-CB 4.08Å; F409-L455 HydrophobicContact CD2-CD1 3.71Å; F409-L455 HydrophobicContact CE2-CD1 3.47Å; F409-L455 VanDerWaalsContact CE2-CD1 3.47Å; F409-L455 HydrophobicContact CZ-CD1 4.47Å
410	P	94.9	Very high	92.9	Very high	68 Å²	68	50.3 Å²	50.3	44%	0.442	26%	0.261	S	S	.	.	H	α-helix	trans	-64.5	-33.9	179.7	-22.1	34.7	0	0	0	112.7	V406 C407 L413 W414	V406-P410 WeakPolarHBondContact O-CD 3.38Å; C407-P410 WeakPolarHBondContact O-CD 3.48Å; P410-L413 WeakPolarHBondContact O-CB 3.28Å; P410-L413 PolarHBondContact O-N 3.08Å; P410-W414 WeakPolarHBondContact O-CB 3.36Å; P410-W414 PolarHBondContact O-N 2.91Å
411	A	93.9	Very high	92.6	Very high	44 Å²	44	50.5 Å²	50.5	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-65.7	-42.2	174.9	0	0	0	0	0	111.2	T408 F409 W414 F415 A459	T408-A411 WeakPolarHBondContact O-CB 3.43Å; T408-A411 PolarHBondContact O-N 3.34Å; F409-A411 VanDerWaalsContact C-N 3.29Å; F409-A411 PolarHBondContact O-N 3.03Å; A411-W414 WeakPolarHBondContact O-CB 3.43Å; A411-W414 PolarHBondContact O-N 2.78Å; A411-F415 WeakPolarHBondContact O-CD2 3.27Å; A411-F415 PolarHBondContact O-N 3.49Å; A411-A459 HydrophobicContact CB-CB 4.49Å
412	G	92.5	Very high	92.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-45	173	0	0	0	0	0	112.8	T408 F409 W414 F415 C416 L455	T408-G412 PolarHBondContact O-N 3.04Å; T408-G412 VanDerWaalsContact O-N 3.07Å; F409-G412 PolarHBondContact O-N 3.19Å; G412-W414 VanDerWaalsContact C-N 3.3Å; G412-W414 PolarHBondContact O-N 3.37Å; G412-F415 PolarHBondContact O-N 2.74Å; G412-C416 PolarHBondContact O-N 3.34Å; G412-C416 VanDerWaalsContact O-N 3.08Å; G412-L455 WeakPolarHBondContact CA-O 3.46Å
413	L	93.8	Very high	92.3	Very high	32 Å²	32	51.2 Å²	51.2	17%	0.168	27%	0.268	C	S	.	.	H	α-helix	trans	-57.7	-44.3	174.4	-170.2	90.9	0	0	0	111.1	F409 P410 F415 C416 I417 A431 L455	F409-L413 PolarHBondContact O-N 3.14Å; P410-L413 WeakPolarHBondContact O-CB 3.28Å; P410-L413 PolarHBondContact O-N 3.08Å; L413-F415 PolarHBondContact O-N 2.97Å; L413-C416 WeakPolarHBondContact O-CB 3.37Å; L413-C416 PolarHBondContact O-N 3.34Å; L413-I417 HydrophobicContact CD2-CD1 4Å; L413-I417 HydrophobicContact CG-CD1 4Å; L413-I417 WeakPolarHBondContact O-CG1 3.42Å; L413-I417 PolarHBondContact O-N 2.85Å; L413-A431 HydrophobicContact CD1-CB 3.49Å; L413-A431 VanDerWaalsContact CD1-CB 3.49Å; L413-L455 HydrophobicContact CB-CD1 4.24Å; L413-L455 HydrophobicContact CD1-CD1 3.88Å
414	W	94.8	Very high	92.1	Very high	146 Å²	146	51.6 Å²	51.6	55%	0.553	27%	0.268	S	S	*	.	H	α-helix	trans	-62.3	-41.3	179	-172.1	87.6	0	0	0	112.3	P410 A411 G412 C416 I417 K418	P410-W414 WeakPolarHBondContact O-CB 3.36Å; P410-W414 PolarHBondContact O-N 2.91Å; A411-W414 WeakPolarHBondContact O-CB 3.43Å; A411-W414 PolarHBondContact O-N 2.78Å; G412-W414 VanDerWaalsContact C-N 3.3Å; G412-W414 PolarHBondContact O-N 3.37Å; W414-C416 VanDerWaalsContact C-N 3.34Å; W414-C416 PolarHBondContact O-N 2.8Å; W414-I417 PolarHBondContact O-N 3.47Å; W414-K418 HydrophobicContact CH2-CD 3.76Å; W414-K418 HydrophobicContact CZ2-CD 4.47Å; W414-K418 HydrophobicContact CZ3-CD 3.82Å; W414-K418 WeakPolarHBondContact O-CB 3.36Å; W414-K418 PolarHBondContact O-N 2.99Å
415	F	92.1	Very high	92.1	Very high	60 Å²	60	51.5 Å²	51.5	26%	0.263	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-38.2	174.1	-68.7	-51.9	0	0	0	113	W177 A411 G412 L413 I417 K418 N419 A459	W177-F415 HydrophobicContact CH2-CB 4.4Å; A411-F415 WeakPolarHBondContact O-CD2 3.27Å; A411-F415 PolarHBondContact O-N 3.49Å; G412-F415 PolarHBondContact O-N 2.74Å; L413-F415 PolarHBondContact O-N 2.97Å; F415-I417 VanDerWaalsContact C-N 3.35Å; F415-K418 PolarHBondContact O-N 3.27Å; F415-N419 PolarHBondContact O-N 3.03Å; F415-A459 HydrophobicContact CD2-CB 4.46Å; F415-A459 HydrophobicContact CE2-CB 4.43Å
416	C	89.5	Confident	92.1	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-38.2	173.9	-71.7	0	0	0	0	112.4	G412 L413 W414 N419 L455	G412-C416 PolarHBondContact O-N 3.34Å; G412-C416 VanDerWaalsContact O-N 3.08Å; L413-C416 WeakPolarHBondContact O-CB 3.37Å; L413-C416 PolarHBondContact O-N 3.34Å; W414-C416 VanDerWaalsContact C-N 3.34Å; W414-C416 PolarHBondContact O-N 2.8Å; C416-N419 CarbonylContact O-C 3.52Å; C416-L455 HydrophobicContact CB-CD2 4.42Å; C416-L455 WeakPolarHBondContact SG-CD2 3.38Å
417	I	91.5	Very high	92	Very high	82 Å²	82	49.5 Å²	49.5	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-72.6	-37.5	178	-67.6	168.1	0	0	0	111.4	L413 W414 F415 N419 I420	L413-I417 HydrophobicContact CD2-CD1 4Å; L413-I417 HydrophobicContact CG-CD1 4Å; L413-I417 WeakPolarHBondContact O-CG1 3.42Å; L413-I417 PolarHBondContact O-N 2.85Å; W414-I417 PolarHBondContact O-N 3.47Å; F415-I417 VanDerWaalsContact C-N 3.35Å; I417-N419 VanDerWaalsContact C-N 3.31Å; I417-N419 PolarHBondContact O-N 3.3Å; I417-I420 WeakPolarHBondContact O-CG1 3.13Å
418	K	91.4	Very high	92.1	Very high	140 Å²	140	45.8 Å²	45.8	61%	0.609	23%	0.231	S	C	*	.	H	α-helix	trans	-61	-42.2	179.3	-173	176.3	-178.3	179	0	111.9	W414 F415	W414-K418 HydrophobicContact CH2-CD 3.76Å; W414-K418 HydrophobicContact CZ2-CD 4.47Å; W414-K418 HydrophobicContact CZ3-CD 3.82Å; W414-K418 WeakPolarHBondContact O-CB 3.36Å; W414-K418 PolarHBondContact O-N 2.99Å; F415-K418 PolarHBondContact O-N 3.27Å
419	N	88	Confident	92.1	Very high	87 Å²	87	46 Å²	46	47%	0.465	23%	0.231	S	C	.	.	S	Bend	trans	-109.6	79.2	-177.9	-73.9	-13.3	0	0	0	109.6	F415 C416 I417 N421 R424	F415-N419 PolarHBondContact O-N 3.03Å; C416-N419 CarbonylContact O-C 3.52Å; I417-N419 VanDerWaalsContact C-N 3.31Å; I417-N419 PolarHBondContact O-N 3.3Å; N419-N421 PolarHBondContact O-N 3.17Å; N419-R424 WeakPolarHBondContact O-CD 3.3Å; N419-R424 PolarHBondContact O-NH1 3.04Å
420	I	88.1	Confident	92.2	Very high	76 Å²	76	44.9 Å²	44.9	39%	0.39	23%	0.226	S	C	.	.			trans	-70.7	123.8	-174.5	-60	-174.5	0	0	0	111.8	M267 I417 V425	M267-I420 HydrophobicContact CE-CD1 4.11Å; M267-I420 HydrophobicContact CE-CG2 3.74Å; I417-I420 WeakPolarHBondContact O-CG1 3.13Å; I420-V425 HydrophobicContact CG2-CG2 3.93Å
421	N	89.7	Confident	92.2	Very high	64 Å²	64	41.6 Å²	41.6	34%	0.342	21%	0.205	S	C	.	.			trans	-133.1	165	165.6	-156.3	3	0	0	0	110.7	N419 E423 R424 V425	N419-N421 PolarHBondContact O-N 3.17Å; N421-E423 WeakPolarHBondContact CB-OE1 3.38Å; N421-E423 VanDerWaalsContact CG-OE1 3.26Å; N421-E423 PolarHBondContact ND2-OE1 3.38Å; N421-E423 PolarHBondContact ND2-OE2 3.38Å; N421-E423 VanDerWaalsContact ND2-OE2 3.09Å; N421-E423 PolarHBondContact O-N 2.98Å; N421-R424 HydrophobicContact CB-CG 4.17Å; N421-R424 PolarHBondContact O-N 2.86Å; N421-V425 WeakPolarHBondContact O-CG2 3.18Å; N421-V425 PolarHBondContact O-N 2.97Å; N421-V425 VanDerWaalsContact O-N 3.08Å
422	D	88.9	Confident	92.2	Very high	18 Å²	18	44.5 Å²	44.5	10%	0.096	21%	0.213	C	C	.	.	H	α-helix	trans	-56.6	-39	-175	-61.5	-10.6	0	0	0	111.5	V225 H260 L264 R269 R273	V225-D422 HydrophobicContact CG1-CB 4.41Å; H260-D422 PolarHBondContact NE2-O 2.98Å; L264-D422 HydrophobicContact CD2-CB 4.41Å; R269-D422 IonicContact NH1-OD1 3.19Å; R273-D422 IonicContact NH2-OD2 3.52Å
423	E	90.5	Very high	92.3	Very high	14 Å²	14	45.6 Å²	45.6	7%	0.065	22%	0.221	C	C	.	.	H	α-helix	trans	-76.5	-26.2	175.9	68.1	-78.2	179.2	0	0	114.3	L176 V222 N421 F426 V427	L176-E423 HydrophobicContact CD2-CB 3.97Å; L176-E423 HydrophobicContact CD2-CG 3.65Å; V222-E423 HydrophobicContact CG1-CB 3.64Å; V222-E423 HydrophobicContact CG1-CG 4.36Å; V222-E423 HydrophobicContact CG2-CB 4.46Å; N421-E423 WeakPolarHBondContact CB-OE1 3.38Å; N421-E423 VanDerWaalsContact CG-OE1 3.26Å; N421-E423 PolarHBondContact ND2-OE1 3.38Å; N421-E423 PolarHBondContact ND2-OE2 3.38Å; N421-E423 VanDerWaalsContact ND2-OE2 3.09Å; N421-E423 PolarHBondContact O-N 2.98Å; E423-F426 WeakPolarHBondContact O-CB 3.3Å; E423-F426 PolarHBondContact O-N 3.41Å; E423-V427 PolarHBondContact O-N 2.8Å
424	R	91.4	Very high	92.3	Very high	37 Å²	37	44.1 Å²	44.1	14%	0.14	21%	0.213	C	C	.	.	H	α-helix	trans	-77.7	-31.9	-179.3	-63.9	172.4	-177.8	-153.3	-6.1	111.2	L176 W177 N419 N421 F426 V427 S428	L176-R424 PolarHBondContact O-NH2 2.7Å; W177-R424 VanDerWaalsContact CZ3-CZ 3.4Å; N419-R424 WeakPolarHBondContact O-CD 3.3Å; N419-R424 PolarHBondContact O-NH1 3.04Å; N421-R424 HydrophobicContact CB-CG 4.17Å; N421-R424 PolarHBondContact O-N 2.86Å; R424-F426 VanDerWaalsContact C-N 3.26Å; R424-F426 PolarHBondContact O-N 3.26Å; R424-V427 PolarHBondContact O-N 3.36Å; R424-S428 PolarHBondContact O-N 3.2Å; R424-S428 PolarHBondContact O-OG 3.25Å
425	V	93.3	Very high	92.3	Very high	14 Å²	14	39.9 Å²	39.9	9%	0.085	20%	0.203	C	C	.	.	H	α-helix	trans	-57.8	-42.3	168.9	178.5	0	0	0	0	110.5	A263 L264 M267 I420 N421 V427 S428 L429	A263-V425 HydrophobicContact CB-CG1 4.24Å; L264-V425 HydrophobicContact CD2-CB 4.31Å; L264-V425 HydrophobicContact CD2-CG1 4.39Å; L264-V425 HydrophobicContact CD2-CG2 4.34Å; M267-V425 HydrophobicContact CE-CG2 4Å; M267-V425 HydrophobicContact SD-CG1 4.09Å; M267-V425 HydrophobicContact SD-CG2 3.79Å; I420-V425 HydrophobicContact CG2-CG2 3.93Å; N421-V425 WeakPolarHBondContact O-CG2 3.18Å; N421-V425 PolarHBondContact O-N 2.97Å; N421-V425 VanDerWaalsContact O-N 3.08Å; V425-V427 PolarHBondContact O-N 3.13Å; V425-S428 PolarHBondContact O-N 3.18Å; V425-L429 HydrophobicContact CG1-CD1 4.03Å; V425-L429 WeakPolarHBondContact O-CG 3.48Å; V425-L429 PolarHBondContact O-N 2.96Å
426	F	94.1	Very high	92.4	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-48.4	176.1	177.3	-101.6	0	0	0	111.7	Y218 W221 V222 L256 I257 H260 E423 R424 L429 Y430	Y218-F426 HydrophobicContact CD1-CE1 4.13Å; Y218-F426 AromaticContact CD1-CZ 3.51Å; Y218-F426 HydrophobicContact CD1-CZ 3.51Å; Y218-F426 HydrophobicContact CD2-CE1 4.3Å; Y218-F426 HydrophobicContact CD2-CZ 4.27Å; Y218-F426 AromaticContact CE1-CZ 3.76Å; Y218-F426 HydrophobicContact CE1-CZ 3.76Å; Y218-F426 HydrophobicContact CE2-CZ 4.47Å; Y218-F426 AromaticContact CG-CE1 3.92Å; Y218-F426 HydrophobicContact CG-CE1 3.92Å; Y218-F426 AromaticContact CG-CZ 3.78Å; Y218-F426 HydrophobicContact CG-CZ 3.78Å; W221-F426 AromaticContact CD1-CD2 3.91Å; W221-F426 AromaticContact CD1-CE2 3.82Å; W221-F426 AromaticContact NE1-CD2 3.89Å; V222-F426 HydrophobicContact CG2-CD1 3.87Å; V222-F426 HydrophobicContact CG2-CE1 4.32Å; L256-F426 HydrophobicContact CD2-CE2 3.99Å; L256-F426 HydrophobicContact CD2-CZ 3.96Å; L256-F426 HydrophobicContact CG-CE2 4.04Å; I257-F426 HydrophobicContact CG1-CE2 4.46Å; H260-F426 HydrophobicContact CB-CD2 3.75Å; H260-F426 PolarHBondContact CD2-N 3.35Å; H260-F426 AromaticContact CG-CD2 3.69Å; H260-F426 AromaticContact ND1-CD2 3.82Å; E423-F426 WeakPolarHBondContact O-CB 3.3Å; E423-F426 PolarHBondContact O-N 3.41Å; R424-F426 VanDerWaalsContact C-N 3.26Å; R424-F426 PolarHBondContact O-N 3.26Å; F426-L429 PolarHBondContact O-N 3.27Å; F426-Y430 WeakPolarHBondContact O-CB 3.47Å; F426-Y430 PolarHBondContact O-N 2.95Å
427	V	93.4	Very high	92.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-38.3	-178.7	179	0	0	0	0	112.1	L176 E423 R424 V425 Y430 A431 V451 M454 L455	L176-V427 HydrophobicContact CD1-CG2 3.56Å; L176-V427 HydrophobicContact CD2-CG2 3.56Å; L176-V427 HydrophobicContact CG-CG2 4.21Å; E423-V427 PolarHBondContact O-N 2.8Å; R424-V427 PolarHBondContact O-N 3.36Å; V425-V427 PolarHBondContact O-N 3.13Å; V427-Y430 PolarHBondContact O-N 3.17Å; V427-A431 WeakPolarHBondContact O-CB 3.25Å; V427-A431 PolarHBondContact O-N 3.42Å; V427-V451 HydrophobicContact CG1-CG2 4.35Å; V427-M454 HydrophobicContact CG2-CE 4.41Å; V427-L455 HydrophobicContact CG1-CD2 3.86Å; V427-L455 HydrophobicContact CG1-CG 4.3Å
428	S	93.8	Very high	92.6	Very high	14 Å²	14	41.4 Å²	41.4	10%	0.098	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-43	175.9	-65.1	0	0	0	0	111.9	R424 V425 A431 I432	R424-S428 PolarHBondContact O-N 3.2Å; R424-S428 PolarHBondContact O-OG 3.25Å; V425-S428 PolarHBondContact O-N 3.18Å; S428-A431 PolarHBondContact O-N 2.75Å; S428-I432 VanDerWaalsContact O-CG1 3.3Å; S428-I432 WeakPolarHBondContact O-CG1 3.47Å; S428-I432 PolarHBondContact O-N 3.04Å; S428-I432 VanDerWaalsContact O-N 3.07Å
429	L	94.7	Very high	92.6	Very high	37 Å²	37	36.2 Å²	36.2	19%	0.194	19%	0.19	C	C	.	.	H	α-helix	trans	-65.8	-43.3	175.4	-69.3	169.7	0	0	0	111.5	L256 L259 H260 A263 V425 F426 A431 I432 S433	L256-L429 HydrophobicContact CD1-CB 4.34Å; L259-L429 HydrophobicContact CG-CD1 4.46Å; H260-L429 HydrophobicContact CB-CD1 4.26Å; A263-L429 HydrophobicContact CB-CD1 3.66Å; V425-L429 HydrophobicContact CG1-CD1 4.03Å; V425-L429 WeakPolarHBondContact O-CG 3.48Å; V425-L429 PolarHBondContact O-N 2.96Å; F426-L429 PolarHBondContact O-N 3.27Å; L429-A431 VanDerWaalsContact C-N 3.32Å; L429-A431 PolarHBondContact O-N 2.72Å; L429-I432 PolarHBondContact O-N 2.88Å; L429-S433 WeakPolarHBondContact O-CB 3.35Å; L429-S433 PolarHBondContact O-N 3.07Å; L429-S433 PolarHBondContact O-OG 3.26Å
430	Y	95.3	Very high	92.8	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-56	-48	174.8	179.1	-155.2	0	0	0	111.3	Y218 F252 L256 F426 V427 S433 A434 T447 V451	Y218-Y430 HydrophobicContact CD2-CD1 4.36Å; Y218-Y430 AromaticContact CD2-CE1 3.98Å; Y218-Y430 HydrophobicContact CD2-CE1 3.98Å; Y218-Y430 HydrophobicContact CE2-CD1 4.16Å; Y218-Y430 HydrophobicContact CE2-CD2 4.31Å; Y218-Y430 AromaticContact CE2-CE1 3.78Å; Y218-Y430 HydrophobicContact CE2-CE1 3.78Å; Y218-Y430 HydrophobicContact CE2-CE2 4.03Å; Y218-Y430 HydrophobicContact CE2-CG 4.41Å; Y218-Y430 AromaticContact CE2-CZ 3.74Å; F252-Y430 AromaticContact CE1-CD2 3.88Å; F252-Y430 HydrophobicContact CE1-CD2 3.88Å; F252-Y430 AromaticContact CE1-CE2 3.59Å; F252-Y430 HydrophobicContact CE1-CE2 3.59Å; F252-Y430 AromaticContact CZ-CD2 3.82Å; F252-Y430 HydrophobicContact CZ-CD2 3.82Å; F252-Y430 AromaticContact CZ-CE2 3.83Å; F252-Y430 HydrophobicContact CZ-CE2 3.83Å; L256-Y430 HydrophobicContact CD2-CD2 3.85Å; L256-Y430 HydrophobicContact CD2-CG 4Å; F426-Y430 WeakPolarHBondContact O-CB 3.47Å; F426-Y430 PolarHBondContact O-N 2.95Å; V427-Y430 PolarHBondContact O-N 3.17Å; Y430-S433 PolarHBondContact O-N 2.92Å; Y430-A434 HydrophobicContact CD2-CB 4.2Å; Y430-A434 HydrophobicContact CE2-CB 4.04Å; Y430-A434 WeakPolarHBondContact O-CB 3.47Å; Y430-A434 PolarHBondContact O-N 3.41Å; Y430-T447 PolarHBondContact OH-O 2.74Å; Y430-V451 HydrophobicContact CD1-CB 3.75Å; Y430-V451 HydrophobicContact CD1-CG2 3.8Å; Y430-V451 HydrophobicContact CE1-CB 3.54Å; Y430-V451 HydrophobicContact CE1-CG1 4.33Å; Y430-V451 HydrophobicContact CE1-CG2 4.12Å; Y430-V451 HydrophobicContact CE2-CB 4.48Å; Y430-V451 HydrophobicContact CE2-CG1 4.44Å; Y430-V451 HydrophobicContact CG-CB 4.35Å; Y430-V451 HydrophobicContact CG-CG2 4.29Å
431	A	94.9	Very high	92.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.4	-48.1	179.6	0	0	0	0	0	112.4	F409 L413 V427 S428 L429 A434 V435 V451 L455	F409-A431 HydrophobicContact CE2-CB 3.96Å; F409-A431 HydrophobicContact CZ-CB 4.11Å; L413-A431 HydrophobicContact CD1-CB 3.49Å; L413-A431 VanDerWaalsContact CD1-CB 3.49Å; V427-A431 WeakPolarHBondContact O-CB 3.25Å; V427-A431 PolarHBondContact O-N 3.42Å; S428-A431 PolarHBondContact O-N 2.75Å; L429-A431 VanDerWaalsContact C-N 3.32Å; L429-A431 PolarHBondContact O-N 2.72Å; A431-A434 PolarHBondContact O-N 3.18Å; A431-V435 WeakPolarHBondContact O-CB 3.49Å; A431-V435 VanDerWaalsContact O-CG2 3.24Å; A431-V435 WeakPolarHBondContact O-CG2 3.12Å; A431-V435 PolarHBondContact O-N 3.18Å; A431-V451 HydrophobicContact CB-CG2 3.74Å; A431-L455 HydrophobicContact CB-CD1 3.75Å
432	I	94.8	Very high	92.7	Very high	104 Å²	104	29.8 Å²	29.8	53%	0.533	16%	0.159	S	C	.	.	H	α-helix	trans	-64.5	-47.3	-178.7	-66.4	165.3	0	0	0	110.6	S428 L429 V435 Y436	S428-I432 VanDerWaalsContact O-CG1 3.3Å; S428-I432 WeakPolarHBondContact O-CG1 3.47Å; S428-I432 PolarHBondContact O-N 3.04Å; S428-I432 VanDerWaalsContact O-N 3.07Å; L429-I432 PolarHBondContact O-N 2.88Å; I432-V435 PolarHBondContact O-N 3.08Å; I432-Y436 PolarHBondContact O-N 3.41Å
433	S	94	Very high	92.6	Very high	24 Å²	24	30.9 Å²	30.9	17%	0.168	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-45	178.6	-64.1	0	0	0	0	111.9	L429 Y430 V435 Y436 F437	L429-S433 WeakPolarHBondContact O-CB 3.35Å; L429-S433 PolarHBondContact O-N 3.07Å; L429-S433 PolarHBondContact O-OG 3.26Å; Y430-S433 PolarHBondContact O-N 2.92Å; S433-V435 PolarHBondContact O-N 3.43Å; S433-Y436 PolarHBondContact O-N 2.96Å; S433-F437 WeakPolarHBondContact O-CD2 3.41Å; S433-F437 PolarHBondContact O-N 3.14Å; S433-F437 VanDerWaalsContact O-N 3.08Å
434	A	94.2	Very high	92.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-38.2	-179	0	0	0	0	0	112.7	Y430 A431 F437 A438 L448 V451	Y430-A434 HydrophobicContact CD2-CB 4.2Å; Y430-A434 HydrophobicContact CE2-CB 4.04Å; Y430-A434 WeakPolarHBondContact O-CB 3.47Å; Y430-A434 PolarHBondContact O-N 3.41Å; A431-A434 PolarHBondContact O-N 3.18Å; A434-F437 PolarHBondContact O-N 3.17Å; A434-A438 VanDerWaalsContact O-CB 3.23Å; A434-A438 WeakPolarHBondContact O-CB 3.17Å; A434-A438 PolarHBondContact O-N 2.67Å; A434-L448 HydrophobicContact CB-CB 4.37Å; A434-L448 HydrophobicContact CB-CD1 3.96Å; A434-V451 HydrophobicContact CB-CG1 4.13Å
435	V	94.9	Very high	92.4	Very high	57 Å²	57	30.1 Å²	30.1	35%	0.345	16%	0.161	S	C	.	.	H	α-helix	trans	-63.4	-43.7	176.2	168.5	0	0	0	0	111.1	F409 A431 I432 S433 G439 L448	F409-V435 HydrophobicContact CE1-CG2 3.8Å; F409-V435 HydrophobicContact CE2-CG2 4.45Å; F409-V435 HydrophobicContact CZ-CG2 3.52Å; A431-V435 WeakPolarHBondContact O-CB 3.49Å; A431-V435 VanDerWaalsContact O-CG2 3.24Å; A431-V435 WeakPolarHBondContact O-CG2 3.12Å; A431-V435 PolarHBondContact O-N 3.18Å; I432-V435 PolarHBondContact O-N 3.08Å; S433-V435 PolarHBondContact O-N 3.43Å; V435-G439 PolarHBondContact O-N 3.05Å; V435-L448 HydrophobicContact CB-CD1 4.43Å; V435-L448 HydrophobicContact CG2-CD1 3.57Å
436	Y	94.4	Very high	92.2	Very high	121 Å²	121	29.9 Å²	29.9	48%	0.475	16%	0.159	S	C	.	.	H	α-helix	trans	-60.3	-51.9	177	175.2	-96.4	0	0	0	111.5	I432 S433 A438 G439 V440	I432-Y436 PolarHBondContact O-N 3.41Å; S433-Y436 PolarHBondContact O-N 2.96Å; Y436-A438 PolarHBondContact O-N 3.3Å; Y436-G439 PolarHBondContact O-N 3.16Å; Y436-G439 VanDerWaalsContact O-N 3.13Å; Y436-V440 HydrophobicContact CE1-CG2 4.29Å; Y436-V440 HydrophobicContact CE2-CG2 4.47Å; Y436-V440 PolarHBondContact O-N 3.41Å
437	F	93	Very high	92.1	Very high	59 Å²	59	30 Å²	30	26%	0.259	16%	0.16	S	C	.	.	H	α-helix	trans	-66	-37.9	-177.9	-73.9	-55	0	0	0	113.3	F252 L371 S433 A434 G439 V440 M441 L444	F252-F437 HydrophobicContact CD2-CD2 4.44Å; F252-F437 HydrophobicContact CD2-CE2 4.43Å; F252-F437 AromaticContact CE2-CD2 3.98Å; F252-F437 HydrophobicContact CE2-CD2 3.98Å; F252-F437 HydrophobicContact CE2-CE2 4.16Å; L371-F437 HydrophobicContact CB-CD1 4.39Å; L371-F437 HydrophobicContact CB-CE1 4.29Å; L371-F437 HydrophobicContact CD1-CD1 4.27Å; L371-F437 HydrophobicContact CD1-CE1 4.38Å; S433-F437 WeakPolarHBondContact O-CD2 3.41Å; S433-F437 PolarHBondContact O-N 3.14Å; S433-F437 VanDerWaalsContact O-N 3.08Å; A434-F437 PolarHBondContact O-N 3.17Å; F437-G439 VanDerWaalsContact C-N 3.3Å; F437-G439 PolarHBondContact O-N 3.47Å; F437-V440 PolarHBondContact O-N 2.87Å; F437-M441 PolarHBondContact O-N 3.5Å; F437-M441 VanDerWaalsContact O-N 3.14Å; F437-L444 HydrophobicContact CB-CB 4.47Å; F437-L444 HydrophobicContact CB-CD1 3.88Å; F437-L444 HydrophobicContact CG-CD1 4.49Å
438	A	92.1	Very high	92.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-34.8	173.6	0	0	0	0	0	112	T393 F398 A434 Y436 V440 L448	T393-A438 WeakPolarHBondContact CG2-O 3.14Å; T393-A438 PolarHBondContact OG1-O 2.92Å; F398-A438 HydrophobicContact CE1-CB 4.25Å; F398-A438 HydrophobicContact CZ-CB 4.3Å; A434-A438 VanDerWaalsContact O-CB 3.23Å; A434-A438 WeakPolarHBondContact O-CB 3.17Å; A434-A438 PolarHBondContact O-N 2.67Å; Y436-A438 PolarHBondContact O-N 3.3Å; A438-V440 VanDerWaalsContact C-N 3.32Å; A438-V440 PolarHBondContact O-N 3.39Å; A438-L448 HydrophobicContact CB-CB 3.9Å; A438-L448 HydrophobicContact CB-CD2 3.71Å; A438-L448 HydrophobicContact CB-CG 4.39Å
439	G	91.6	Very high	92.2	Very high	31 Å²	31	29.5 Å²	29.5	32%	0.32	16%	0.156	S	C	.	.	H	α-helix	trans	-64.7	-34.3	175.8	0	0	0	0	0	113.7	T393 V435 Y436 F437	T393-G439 WeakPolarHBondContact OG1-CA 3.48Å; T393-G439 PolarHBondContact OG1-O 3.35Å; V435-G439 PolarHBondContact O-N 3.05Å; Y436-G439 PolarHBondContact O-N 3.16Å; Y436-G439 VanDerWaalsContact O-N 3.13Å; F437-G439 VanDerWaalsContact C-N 3.3Å; F437-G439 PolarHBondContact O-N 3.47Å
440	V	90.9	Very high	92.2	Very high	26 Å²	26	27.8 Å²	27.8	16%	0.158	15%	0.147	C	C	.	.	H	α-helix	trans	-80.1	-32.9	179.9	176.1	0	0	0	0	112.2	L371 T374 P392 Y436 F437 A438	L371-V440 HydrophobicContact CD2-CG1 4.28Å; T374-V440 HydrophobicContact CG2-CG1 3.75Å; P392-V440 WeakPolarHBondContact CA-O 3.48Å; Y436-V440 HydrophobicContact CE1-CG2 4.29Å; Y436-V440 HydrophobicContact CE2-CG2 4.47Å; Y436-V440 PolarHBondContact O-N 3.41Å; F437-V440 PolarHBondContact O-N 2.87Å; A438-V440 VanDerWaalsContact C-N 3.32Å; A438-V440 PolarHBondContact O-N 3.39Å
441	M	89.2	Confident	92.2	Very high	10 Å²	10	27.7 Å²	27.7	5%	0.049	15%	0.147	C	C	.	.			trans	-144.6	125.5	-171.7	178.2	168.9	160.2	0	0	112.8	L371 E389 H390 F437 R443 L444	L371-M441 HydrophobicContact CD2-CB 4.05Å; L371-M441 HydrophobicContact CD2-SD 3.89Å; E389-M441 WeakPolarHBondContact O-CG 3.5Å; H390-M441 WeakPolarHBondContact CE1-CE 3.44Å; H390-M441 WeakPolarHBondContact ND1-CE 3.47Å; H390-M441 PolarHBondContact ND1-SD 3.47Å; F437-M441 PolarHBondContact O-N 3.5Å; F437-M441 VanDerWaalsContact O-N 3.14Å; M441-R443 HydrophobicContact CE-CB 3.48Å; M441-R443 VanDerWaalsContact CE-CB 3.48Å; M441-R443 HydrophobicContact CE-CG 4.24Å; M441-R443 HydrophobicContact CG-CB 4.35Å; M441-R443 PolarHBondContact O-N 2.89Å; M441-L444 HydrophobicContact CB-CD1 4.14Å; M441-L444 HydrophobicContact CB-CG 4.39Å; M441-L444 HydrophobicContact CG-CD1 4.49Å; M441-L444 HydrophobicContact CG-CG 4.4Å; M441-L444 PolarHBondContact O-N 3.18Å; M441-L444 VanDerWaalsContact O-N 3.09Å; M441-L444 HydrophobicContact SD-CD1 4.3Å; M441-L444 HydrophobicContact SD-CG 4.4Å
442	V	88	Confident	92.2	Very high	55 Å²	55	27.9 Å²	27.9	33%	0.333	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-56.2	-43.4	-177.8	174.8	0	0	0	0	113.1	Q391 T393 L444 M445	Q391-V442 VanDerWaalsContact O-CG2 3.24Å; Q391-V442 WeakPolarHBondContact O-CG2 3.36Å; Q391-V442 PolarHBondContact O-N 3.41Å; T393-V442 VanDerWaalsContact CG2-CA 3.42Å; T393-V442 HydrophobicContact CG2-CB 3.95Å; T393-V442 HydrophobicContact CG2-CG1 4.49Å; T393-V442 HydrophobicContact CG2-CG2 3.51Å; V442-L444 PolarHBondContact O-N 3.23Å; V442-M445 WeakPolarHBondContact O-CB 3.46Å; V442-M445 PolarHBondContact O-N 3.07Å; V442-M445 VanDerWaalsContact O-N 3.15Å
443	R	85.8	Confident	92.2	Very high	42 Å²	42	22.9 Å²	22.9	16%	0.158	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-59.8	-30.5	-179.8	-165.3	-177.6	-178.5	145.7	-3.3	113.4	E207 E389 M441 M445	E207-R443 IonicContact OE1-CZ 3.72Å; E207-R443 IonicContact OE1-NE 2.8Å; E207-R443 PolarHBondContact OE1-NE 3.44Å; E207-R443 VanDerWaalsContact OE1-NE 3.13Å; E207-R443 IonicContact OE1-NH2 3.81Å; E207-R443 PolarHBondContact OE1-NH2 2.95Å; E389-R443 HydrophobicContact CB-CB 4.25Å; E389-R443 PolarHBondContact O-N 3.39Å; E389-R443 VanDerWaalsContact OE2-CD 3.29Å; E389-R443 WeakPolarHBondContact OE2-CD 3.3Å; E389-R443 IonicContact OE2-CZ 3.23Å; E389-R443 IonicContact OE2-NE 2.73Å; E389-R443 IonicContact OE2-NH1 3.72Å; E389-R443 PolarHBondContact OE2-NH1 3.36Å; M441-R443 HydrophobicContact CE-CB 3.48Å; M441-R443 VanDerWaalsContact CE-CB 3.48Å; M441-R443 HydrophobicContact CE-CG 4.24Å; M441-R443 HydrophobicContact CG-CB 4.35Å; M441-R443 PolarHBondContact O-N 2.89Å; R443-M445 PolarHBondContact O-N 3.27Å
444	L	88.3	Confident	92.3	Very high	30 Å²	30	21.9 Å²	21.9	16%	0.157	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-77.3	-7.6	-176.6	-69.2	173.9	0	0	0	113.1	L371 F437 M441 V442 L446 T447 L448	L371-L444 HydrophobicContact CD1-CD1 4Å; L371-L444 HydrophobicContact CD2-CD1 3.89Å; F437-L444 HydrophobicContact CB-CB 4.47Å; F437-L444 HydrophobicContact CB-CD1 3.88Å; F437-L444 HydrophobicContact CG-CD1 4.49Å; M441-L444 HydrophobicContact CB-CD1 4.14Å; M441-L444 HydrophobicContact CB-CG 4.39Å; M441-L444 HydrophobicContact CG-CD1 4.49Å; M441-L444 HydrophobicContact CG-CG 4.4Å; M441-L444 PolarHBondContact O-N 3.18Å; M441-L444 VanDerWaalsContact O-N 3.09Å; M441-L444 HydrophobicContact SD-CD1 4.3Å; M441-L444 HydrophobicContact SD-CG 4.4Å; V442-L444 PolarHBondContact O-N 3.23Å; L444-L446 PolarHBondContact O-N 3.05Å; L444-L446 VanDerWaalsContact O-N 3.17Å; L444-T447 PolarHBondContact O-N 3.41Å; L444-T447 PolarHBondContact O-OG1 2.96Å; L444-L448 PolarHBondContact O-N 3.39Å
445	M	88.8	Confident	92.3	Very high	5 Å²	5	22 Å²	22	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-56.9	-28.3	171	-170.5	158.3	-174.2	0	0	113.3	F398 D401 L402 V442 R443 T447 L448 T449	F398-M445 HydrophobicContact CD1-CE 4.04Å; D401-M445 HydrophobicContact CB-CE 3.3Å; D401-M445 HydrophobicContact CB-SD 4.31Å; D401-M445 VanDerWaalsContact OD2-CE 3.31Å; D401-M445 WeakPolarHBondContact OD2-CE 3.25Å; L402-M445 HydrophobicContact CD1-CE 3.96Å; L402-M445 HydrophobicContact CG-CE 4.05Å; V442-M445 WeakPolarHBondContact O-CB 3.46Å; V442-M445 PolarHBondContact O-N 3.07Å; V442-M445 VanDerWaalsContact O-N 3.15Å; R443-M445 PolarHBondContact O-N 3.27Å; M445-T447 VanDerWaalsContact C-N 3.27Å; M445-T447 PolarHBondContact O-N 3.23Å; M445-L448 PolarHBondContact O-N 3.03Å; M445-T449 PolarHBondContact O-N 2.79Å; M445-T449 VanDerWaalsContact O-N 3.14Å; M445-T449 PolarHBondContact O-OG1 3.42Å
446	L	90.8	Very high	92.4	Very high	9 Å²	9	19.2 Å²	19.2	5%	0.047	10%	0.099	C	C	.	.	H	α-helix	trans	-58.1	-39.9	172.8	-171.7	77.4	0	0	0	112.2	Y195 R198 E207 I211 L444 P450	Y195-L446 HydrophobicContact CD2-CD1 3.83Å; R198-L446 HydrophobicContact CB-CD1 4.33Å; E207-L446 HydrophobicContact CB-CD2 3.59Å; E207-L446 HydrophobicContact CG-CD2 3.39Å; I211-L446 HydrophobicContact CD1-CD2 3.83Å; I211-L446 HydrophobicContact CD1-CG 3.79Å; I211-L446 HydrophobicContact CG1-CD1 4.42Å; I211-L446 HydrophobicContact CG1-CD2 3.81Å; I211-L446 HydrophobicContact CG1-CG 3.88Å; L444-L446 PolarHBondContact O-N 3.05Å; L444-L446 VanDerWaalsContact O-N 3.17Å; L446-P450 VanDerWaalsContact O-CD 3.3Å; L446-P450 WeakPolarHBondContact O-CD 3.48Å
447	T	91.3	Very high	92.4	Very high	4 Å²	4	13.5 Å²	13.5	3%	0.025	8%	0.076	C	C	.	.	H	α-helix	trans	-78.7	-21.7	180	66.1	0	0	0	0	113.2	W247 Y430 L444 M445 P450	W247-T447 HydrophobicContact CH2-CG2 3.67Å; W247-T447 HydrophobicContact CZ3-CG2 4.11Å; Y430-T447 PolarHBondContact OH-O 2.74Å; L444-T447 PolarHBondContact O-N 3.41Å; L444-T447 PolarHBondContact O-OG1 2.96Å; M445-T447 VanDerWaalsContact C-N 3.27Å; M445-T447 PolarHBondContact O-N 3.23Å; T447-P450 WeakPolarHBondContact O-CD 3.32Å
448	L	94.2	Very high	92.5	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-75.3	-34.7	173.7	173.2	66.1	0	0	0	112.1	F398 A434 V435 A438 L444 M445 V451 V452	F398-L448 HydrophobicContact CD1-CD2 4.21Å; F398-L448 HydrophobicContact CE1-CD2 3.61Å; A434-L448 HydrophobicContact CB-CB 4.37Å; A434-L448 HydrophobicContact CB-CD1 3.96Å; V435-L448 HydrophobicContact CB-CD1 4.43Å; V435-L448 HydrophobicContact CG2-CD1 3.57Å; A438-L448 HydrophobicContact CB-CB 3.9Å; A438-L448 HydrophobicContact CB-CD2 3.71Å; A438-L448 HydrophobicContact CB-CG 4.39Å; L444-L448 PolarHBondContact O-N 3.39Å; M445-L448 PolarHBondContact O-N 3.03Å; L448-V451 HydrophobicContact CD1-CG1 3.88Å; L448-V451 WeakPolarHBondContact O-CG1 3.47Å; L448-V451 PolarHBondContact O-N 3.02Å; L448-V452 HydrophobicContact CD1-CG2 3.67Å; L448-V452 HydrophobicContact CD2-CG2 4.35Å; L448-V452 HydrophobicContact CG-CG2 3.7Å; L448-V452 WeakPolarHBondContact O-CG2 3.38Å; L448-V452 PolarHBondContact O-N 3.31Å; L448-V452 VanDerWaalsContact O-N 3.17Å
449	T	94.6	Very high	92.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-53.9	-44.4	-172	-62.2	0	0	0	0	113.9	V192 L402 M445 V451 V452 C453	V192-T449 HydrophobicContact CB-CG2 4.19Å; V192-T449 HydrophobicContact CG1-CG2 3.35Å; V192-T449 HydrophobicContact CG2-CG2 3.74Å; L402-T449 HydrophobicContact CD2-CG2 4.32Å; M445-T449 PolarHBondContact O-N 2.79Å; M445-T449 VanDerWaalsContact O-N 3.14Å; M445-T449 PolarHBondContact O-OG1 3.42Å; T449-V451 PolarHBondContact O-N 3.49Å; T449-V452 PolarHBondContact O-N 2.72Å; T449-C453 PolarHBondContact O-N 2.85Å; T449-C453 VanDerWaalsContact O-N 3.08Å; T449-C453 PolarHBondContact O-SG 3.45Å
450	P	94.5	Very high	92.7	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.006	5%	0.052	C	C	.	.	H	α-helix	trans	-63.7	-42.5	-180	-21.3	31.9	0	0	0	114	I189 I211 Q215 L446 T447 V452 C453 M454	I189-P450 HydrophobicContact CD1-CB 3.96Å; I189-P450 HydrophobicContact CD1-CG 4.2Å; I211-P450 HydrophobicContact CG2-CG 3.87Å; Q215-P450 VanDerWaalsContact CD-CB 3.4Å; Q215-P450 HydrophobicContact CG-CB 4.1Å; Q215-P450 HydrophobicContact CG-CG 4.43Å; L446-P450 VanDerWaalsContact O-CD 3.3Å; L446-P450 WeakPolarHBondContact O-CD 3.48Å; T447-P450 WeakPolarHBondContact O-CD 3.32Å; P450-V452 VanDerWaalsContact C-N 3.34Å; P450-V452 PolarHBondContact O-N 3.35Å; P450-C453 PolarHBondContact O-N 2.9Å; P450-M454 VanDerWaalsContact O-CG 3.23Å; P450-M454 WeakPolarHBondContact O-CG 3.41Å; P450-M454 PolarHBondContact O-N 2.75Å
451	V	95	Very high	92.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-69.1	-34.6	-179.8	63.5	0	0	0	0	112.1	V427 Y430 A431 A434 L448 T449 M454 L455	V427-V451 HydrophobicContact CG1-CG2 4.35Å; Y430-V451 HydrophobicContact CD1-CB 3.75Å; Y430-V451 HydrophobicContact CD1-CG2 3.8Å; Y430-V451 HydrophobicContact CE1-CB 3.54Å; Y430-V451 HydrophobicContact CE1-CG1 4.33Å; Y430-V451 HydrophobicContact CE1-CG2 4.12Å; Y430-V451 HydrophobicContact CE2-CB 4.48Å; Y430-V451 HydrophobicContact CE2-CG1 4.44Å; Y430-V451 HydrophobicContact CG-CB 4.35Å; Y430-V451 HydrophobicContact CG-CG2 4.29Å; A431-V451 HydrophobicContact CB-CG2 3.74Å; A434-V451 HydrophobicContact CB-CG1 4.13Å; L448-V451 HydrophobicContact CD1-CG1 3.88Å; L448-V451 WeakPolarHBondContact O-CG1 3.47Å; L448-V451 PolarHBondContact O-N 3.02Å; T449-V451 PolarHBondContact O-N 3.49Å; V451-M454 PolarHBondContact O-N 3.06Å; V451-L455 HydrophobicContact CG2-CD1 3.98Å; V451-L455 HydrophobicContact CG2-CG 4.32Å; V451-L455 WeakPolarHBondContact O-CB 3.36Å; V451-L455 WeakPolarHBondContact O-CG 3.35Å; V451-L455 PolarHBondContact O-N 2.7Å
452	V	95.8	Very high	92.9	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.018	5%	0.054	C	C	.	.	H	α-helix	trans	-62.8	-45.7	173.7	170.4	0	0	0	0	110.9	L402 L405 F409 L448 T449 P450 M454 L455 S456	L402-V452 HydrophobicContact CD1-CG1 4.23Å; L402-V452 HydrophobicContact CD1-CG2 4.32Å; L402-V452 HydrophobicContact CD2-CG1 4.18Å; L405-V452 HydrophobicContact CB-CG1 3.58Å; L405-V452 HydrophobicContact CD1-CG1 4.5Å; F409-V452 HydrophobicContact CB-CG1 4.29Å; F409-V452 HydrophobicContact CD2-CB 4.41Å; F409-V452 HydrophobicContact CD2-CG2 3.9Å; F409-V452 HydrophobicContact CE2-CG2 4.25Å; F409-V452 HydrophobicContact CG-CG2 4.29Å; L448-V452 HydrophobicContact CD1-CG2 3.67Å; L448-V452 HydrophobicContact CD2-CG2 4.35Å; L448-V452 HydrophobicContact CG-CG2 3.7Å; L448-V452 WeakPolarHBondContact O-CG2 3.38Å; L448-V452 PolarHBondContact O-N 3.31Å; L448-V452 VanDerWaalsContact O-N 3.17Å; T449-V452 PolarHBondContact O-N 2.72Å; P450-V452 VanDerWaalsContact C-N 3.34Å; P450-V452 PolarHBondContact O-N 3.35Å; V452-M454 VanDerWaalsContact C-N 3.33Å; V452-M454 PolarHBondContact O-N 3.02Å; V452-L455 PolarHBondContact O-N 3.36Å; V452-S456 WeakPolarHBondContact O-CB 3.45Å; V452-S456 PolarHBondContact O-N 2.73Å
453	C	95.9	Very high	93	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60.6	-42.7	177.1	-65.4	0	0	0	0	111.7	F188 I189 T449 P450 A457	F188-C453 HydrophobicContact CB-CB 4.12Å; I189-C453 HydrophobicContact CB-CB 4.3Å; T449-C453 PolarHBondContact O-N 2.85Å; T449-C453 VanDerWaalsContact O-N 3.08Å; T449-C453 PolarHBondContact O-SG 3.45Å; P450-C453 PolarHBondContact O-N 2.9Å; C453-A457 WeakPolarHBondContact O-CB 3.15Å; C453-A457 PolarHBondContact O-N 3.21Å
454	M	95	Very high	93.2	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-64.2	-49.9	178.9	-67.5	167.4	54.9	0	0	112.3	T169 L172 T173 L176 V427 P450 V451 V452 A457 V458	T169-M454 HydrophobicContact CG2-CG 4.02Å; L172-M454 HydrophobicContact CD1-CE 4.48Å; L172-M454 HydrophobicContact CD2-CE 3.55Å; L172-M454 HydrophobicContact CD2-SD 3.57Å; L172-M454 VanDerWaalsContact CD2-SD 3.57Å; L172-M454 HydrophobicContact CG-CE 3.59Å; L172-M454 HydrophobicContact CG-SD 4.15Å; T173-M454 WeakPolarHBondContact OG1-CG 3.5Å; L176-M454 HydrophobicContact CD1-CE 3.43Å; L176-M454 VanDerWaalsContact CD1-CE 3.43Å; V427-M454 HydrophobicContact CG2-CE 4.41Å; P450-M454 VanDerWaalsContact O-CG 3.23Å; P450-M454 WeakPolarHBondContact O-CG 3.41Å; P450-M454 PolarHBondContact O-N 2.75Å; V451-M454 PolarHBondContact O-N 3.06Å; V452-M454 VanDerWaalsContact C-N 3.33Å; V452-M454 PolarHBondContact O-N 3.02Å; M454-A457 PolarHBondContact O-N 2.81Å; M454-V458 WeakPolarHBondContact O-CG2 3.48Å; M454-V458 PolarHBondContact O-N 3.35Å
455	L	95.1	Very high	93.2	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-71.1	-39.5	-176.9	-71	176.7	0	0	0	112.2	F409 G412 L413 C416 V427 A431 V451 V452 A457 V458 A459	F409-L455 HydrophobicContact CD2-CB 4.08Å; F409-L455 HydrophobicContact CD2-CD1 3.71Å; F409-L455 HydrophobicContact CE2-CD1 3.47Å; F409-L455 VanDerWaalsContact CE2-CD1 3.47Å; F409-L455 HydrophobicContact CZ-CD1 4.47Å; G412-L455 WeakPolarHBondContact CA-O 3.46Å; L413-L455 HydrophobicContact CB-CD1 4.24Å; L413-L455 HydrophobicContact CD1-CD1 3.88Å; C416-L455 HydrophobicContact CB-CD2 4.42Å; C416-L455 WeakPolarHBondContact SG-CD2 3.38Å; V427-L455 HydrophobicContact CG1-CD2 3.86Å; V427-L455 HydrophobicContact CG1-CG 4.3Å; A431-L455 HydrophobicContact CB-CD1 3.75Å; V451-L455 HydrophobicContact CG2-CD1 3.98Å; V451-L455 HydrophobicContact CG2-CG 4.32Å; V451-L455 WeakPolarHBondContact O-CB 3.36Å; V451-L455 WeakPolarHBondContact O-CG 3.35Å; V451-L455 PolarHBondContact O-N 2.7Å; V452-L455 PolarHBondContact O-N 3.36Å; L455-A457 VanDerWaalsContact C-N 3.3Å; L455-A457 PolarHBondContact O-N 3.34Å; L455-V458 PolarHBondContact O-N 3.08Å; L455-A459 PolarHBondContact O-N 2.88Å
456	S	95.8	Very high	93.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.6	-42.1	172.2	-177.3	0	0	0	0	110.8	L405 T408 V452 V458 A459 F460	L405-S456 WeakPolarHBondContact CD2-OG 3.28Å; T408-S456 PolarHBondContact OG1-OG 2.93Å; V452-S456 WeakPolarHBondContact O-CB 3.45Å; V452-S456 PolarHBondContact O-N 2.73Å; S456-V458 VanDerWaalsContact C-N 3.35Å; S456-V458 PolarHBondContact O-N 3.48Å; S456-A459 WeakPolarHBondContact O-CB 3.21Å; S456-A459 PolarHBondContact O-N 2.9Å; S456-A459 VanDerWaalsContact O-N 3.17Å; S456-F460 VanDerWaalsContact O-CD2 3.29Å; S456-F460 WeakPolarHBondContact O-CD2 3.38Å; S456-F460 PolarHBondContact O-N 2.9Å; S456-F460 WeakPolarHBondContact OG-CE2 3.45Å
457	A	95.6	Very high	92.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.1	-37.8	175.7	0	0	0	0	0	113.3	A181 L184 A185 F188 C453 M454 L455 S461	A181-A457 WeakPolarHBondContact O-CB 3.48Å; L184-A457 HydrophobicContact CB-CB 4.15Å; L184-A457 HydrophobicContact CD2-CB 4.35Å; L184-A457 HydrophobicContact CG-CB 4.3Å; A185-A457 HydrophobicContact CB-CB 3.62Å; F188-A457 HydrophobicContact CD2-CB 4.05Å; F188-A457 HydrophobicContact CE2-CB 4.1Å; C453-A457 WeakPolarHBondContact O-CB 3.15Å; C453-A457 PolarHBondContact O-N 3.21Å; M454-A457 PolarHBondContact O-N 2.81Å; L455-A457 VanDerWaalsContact C-N 3.3Å; L455-A457 PolarHBondContact O-N 3.34Å; A457-S461 WeakPolarHBondContact O-CB 3.43Å; A457-S461 PolarHBondContact O-N 3.06Å
458	V	94.1	Very high	92.1	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-42.7	173	170.9	0	0	0	0	110.9	W177 A181 M454 L455 S456 S461 S462	W177-V458 HydrophobicContact CB-CG2 4.3Å; W177-V458 HydrophobicContact CD2-CG1 3.91Å; W177-V458 HydrophobicContact CE3-CG1 3.76Å; W177-V458 HydrophobicContact CG-CG1 4.45Å; W177-V458 HydrophobicContact CH2-CG1 4.36Å; W177-V458 HydrophobicContact CZ3-CG1 3.99Å; A181-V458 HydrophobicContact CB-CG2 4.43Å; M454-V458 WeakPolarHBondContact O-CG2 3.48Å; M454-V458 PolarHBondContact O-N 3.35Å; L455-V458 PolarHBondContact O-N 3.08Å; S456-V458 VanDerWaalsContact C-N 3.35Å; S456-V458 PolarHBondContact O-N 3.48Å; V458-S461 PolarHBondContact O-N 3.21Å; V458-S462 WeakPolarHBondContact O-CB 3.43Å; V458-S462 PolarHBondContact O-N 2.96Å; V458-S462 PolarHBondContact O-OG 3.08Å
459	A	94.4	Very high	90.7	Very high	6 Å²	6	26.5 Å²	26.5	5%	0.05	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-52.9	176.8	0	0	0	0	0	112	A411 F415 L455 S456 S461 S462 V463	A411-A459 HydrophobicContact CB-CB 4.49Å; F415-A459 HydrophobicContact CD2-CB 4.46Å; F415-A459 HydrophobicContact CE2-CB 4.43Å; L455-A459 PolarHBondContact O-N 2.88Å; S456-A459 WeakPolarHBondContact O-CB 3.21Å; S456-A459 PolarHBondContact O-N 2.9Å; S456-A459 VanDerWaalsContact O-N 3.17Å; A459-S461 PolarHBondContact O-N 2.92Å; A459-S462 PolarHBondContact O-N 3.27Å; A459-V463 WeakPolarHBondContact O-CG2 3.41Å; A459-V463 PolarHBondContact O-N 3.33Å; A459-V463 VanDerWaalsContact O-N 3.11Å
460	F	93.7	Very high	88.6	Confident	3 Å²	3	32.7 Å²	32.7	1%	0.013	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-41.5	177.3	-83.3	-72.2	0	0	0	112.3	L184 F188 I404 T408 S456 S462 V463 F464 M527 L531	L184-F460 HydrophobicContact CD2-CB 3.35Å; L184-F460 HydrophobicContact CD2-CG 4.24Å; F188-F460 AromaticContact CE2-CD2 3.97Å; F188-F460 HydrophobicContact CE2-CD2 3.97Å; F188-F460 AromaticContact CZ-CD2 3.79Å; F188-F460 HydrophobicContact CZ-CD2 3.79Å; F188-F460 HydrophobicContact CZ-CE2 4.13Å; F188-F460 HydrophobicContact CZ-CG 4.46Å; I404-F460 HydrophobicContact CD1-CE2 4.1Å; I404-F460 HydrophobicContact CD1-CZ 3.83Å; T408-F460 HydrophobicContact CG2-CE2 3.81Å; T408-F460 HydrophobicContact CG2-CZ 3.87Å; S456-F460 VanDerWaalsContact O-CD2 3.29Å; S456-F460 WeakPolarHBondContact O-CD2 3.38Å; S456-F460 PolarHBondContact O-N 2.9Å; S456-F460 WeakPolarHBondContact OG-CE2 3.45Å; F460-S462 VanDerWaalsContact C-N 3.27Å; F460-S462 PolarHBondContact O-N 3.48Å; F460-V463 PolarHBondContact O-N 3.42Å; F460-F464 HydrophobicContact CB-CD2 4.44Å; F460-F464 HydrophobicContact CB-CE2 4.18Å; F460-F464 HydrophobicContact CD1-CE2 4.43Å; F460-F464 WeakPolarHBondContact O-CD2 3.46Å; F460-F464 WeakPolarHBondContact O-CG 3.48Å; F460-F464 PolarHBondContact O-N 3.38Å; F460-M527 HydrophobicContact CD1-SD 3.95Å; F460-M527 HydrophobicContact CE1-SD 3.62Å; F460-L531 HydrophobicContact CE1-CD2 4.39Å; F460-L531 HydrophobicContact CZ-CD2 4.44Å
461	S	93.5	Very high	86.3	Confident	14 Å²	14	37.2 Å²	37.2	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-36.3	176.8	-175.1	0	0	0	0	112.1	A181 A457 V458 A459 F464 E465	A181-S461 PolarHBondContact N-OG 3.49Å; A457-S461 WeakPolarHBondContact O-CB 3.43Å; A457-S461 PolarHBondContact O-N 3.06Å; V458-S461 PolarHBondContact O-N 3.21Å; A459-S461 PolarHBondContact O-N 2.92Å; S461-F464 PolarHBondContact O-N 3.41Å; S461-E465 VanDerWaalsContact O-CB 3.28Å; S461-E465 WeakPolarHBondContact O-CB 3.39Å; S461-E465 PolarHBondContact O-N 3.37Å
462	S	90	Very high	83.7	Confident	20 Å²	20	42.2 Å²	42.2	14%	0.14	23%	0.228	C	C	.	.	H	α-helix	trans	-70.8	-37	179.3	-57	0	0	0	0	111.3	V458 A459 F460 H466	V458-S462 WeakPolarHBondContact O-CB 3.43Å; V458-S462 PolarHBondContact O-N 2.96Å; V458-S462 PolarHBondContact O-OG 3.08Å; A459-S462 PolarHBondContact O-N 3.27Å; F460-S462 VanDerWaalsContact C-N 3.27Å; F460-S462 PolarHBondContact O-N 3.48Å; S462-H466 PolarHBondContact O-N 3.29Å; S462-H466 VanDerWaalsContact O-N 3.15Å
463	V	91.1	Very high	81.1	Confident	36 Å²	36	51.3 Å²	51.3	22%	0.218	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-49.5	171.9	175.3	0	0	0	0	110.2	A459 F460 E465 H466 Y467 V523 M527	A459-V463 WeakPolarHBondContact O-CG2 3.41Å; A459-V463 PolarHBondContact O-N 3.33Å; A459-V463 VanDerWaalsContact O-N 3.11Å; F460-V463 PolarHBondContact O-N 3.42Å; V463-E465 VanDerWaalsContact C-N 3.31Å; V463-E465 PolarHBondContact O-N 3.47Å; V463-H466 PolarHBondContact O-N 2.9Å; V463-Y467 HydrophobicContact CG1-CD2 3.65Å; V463-Y467 HydrophobicContact CG1-CE2 3.99Å; V463-Y467 WeakPolarHBondContact O-CD2 3.36Å; V463-Y467 PolarHBondContact O-N 3.26Å; V463-V523 HydrophobicContact CG1-CG1 4.13Å; V463-M527 HydrophobicContact CG1-CG 3.81Å; V463-M527 HydrophobicContact CG1-SD 4.2Å
464	F	90	Very high	78.3	Confident	42 Å²	42	61.6 Å²	61.6	18%	0.184	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-38	177.8	-69	-49.5	0	0	0	112.6	L184 F460 S461 H466 M468 M527 L531	L184-F464 HydrophobicContact CD2-CE2 4.41Å; F460-F464 HydrophobicContact CB-CD2 4.44Å; F460-F464 HydrophobicContact CB-CE2 4.18Å; F460-F464 HydrophobicContact CD1-CE2 4.43Å; F460-F464 WeakPolarHBondContact O-CD2 3.46Å; F460-F464 WeakPolarHBondContact O-CG 3.48Å; F460-F464 PolarHBondContact O-N 3.38Å; S461-F464 PolarHBondContact O-N 3.41Å; F464-H466 VanDerWaalsContact C-N 3.34Å; F464-H466 PolarHBondContact O-N 2.96Å; F464-M468 HydrophobicContact CB-CG 4.44Å; F464-M468 HydrophobicContact CB-SD 3.95Å; F464-M468 HydrophobicContact CD1-CG 4.16Å; F464-M468 HydrophobicContact CD1-SD 3.51Å; F464-M468 VanDerWaalsContact CD1-SD 3.51Å; F464-M468 HydrophobicContact CE1-SD 4.31Å; F464-M468 HydrophobicContact CG-SD 3.99Å; F464-M468 WeakPolarHBondContact O-CA 3.36Å; F464-M468 WeakPolarHBondContact O-CB 3.28Å; F464-M468 PolarHBondContact O-N 3.04Å; F464-M527 HydrophobicContact CE1-CB 3.7Å; F464-M527 HydrophobicContact CE1-CG 4.42Å; F464-M527 HydrophobicContact CZ-CB 3.83Å; F464-L531 HydrophobicContact CE2-CD1 4.18Å; F464-L531 HydrophobicContact CZ-CD1 3.88Å
465	E	87.9	Confident	75.3	Confident	112 Å²	112	69.4 Å²	69.4	52%	0.523	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-38.8	177	-173.5	168.4	-169.6	0	0	112.4	S461 V463	S461-E465 VanDerWaalsContact O-CB 3.28Å; S461-E465 WeakPolarHBondContact O-CB 3.39Å; S461-E465 PolarHBondContact O-N 3.37Å; V463-E465 VanDerWaalsContact C-N 3.31Å; V463-E465 PolarHBondContact O-N 3.47Å
466	H	86.4	Confident	72.1	Confident	97 Å²	97	78.2 Å²	78.2	45%	0.449	38%	0.381	S	S	.	.	H	α-helix	trans	-78.1	-38.1	-179.4	-168.2	78.2	0	0	0	113.4	S462 V463 F464 E512	S462-H466 PolarHBondContact O-N 3.29Å; S462-H466 VanDerWaalsContact O-N 3.15Å; V463-H466 PolarHBondContact O-N 2.9Å; F464-H466 VanDerWaalsContact C-N 3.34Å; F464-H466 PolarHBondContact O-N 2.96Å; H466-E512 IonicContact CE1-OE2 3.84Å
467	Y	84.4	Confident	69	Low	61 Å²	61	83.5 Å²	83.5	24%	0.239	42%	0.415	C	S	.	.	H	α-helix	trans	-98.8	-23.4	-173.6	-64.2	-74.1	0	0	0	114.8	V463 L515 K520 V523	V463-Y467 HydrophobicContact CG1-CD2 3.65Å; V463-Y467 HydrophobicContact CG1-CE2 3.99Å; V463-Y467 WeakPolarHBondContact O-CD2 3.36Å; V463-Y467 PolarHBondContact O-N 3.26Å; Y467-L515 HydrophobicContact CE1-CD2 3.96Å; Y467-K520 HydrophobicContact CD1-CG 4.32Å; Y467-V523 HydrophobicContact CD1-CB 4.31Å; Y467-V523 HydrophobicContact CD1-CG1 4.27Å; Y467-V523 HydrophobicContact CD2-CB 4.48Å; Y467-V523 HydrophobicContact CD2-CG1 3.61Å; Y467-V523 HydrophobicContact CE1-CG1 4.47Å; Y467-V523 HydrophobicContact CE1-CG2 4.38Å; Y467-V523 HydrophobicContact CE2-CG1 3.85Å; Y467-V523 HydrophobicContact CG-CB 4.25Å; Y467-V523 HydrophobicContact CG-CG1 3.85Å
468	M	78.1	Confident	66.1	Low	115 Å²	115	89.2 Å²	89.2	57%	0.567	45%	0.452	S	S	*	.	S	Bend	trans	-95.4	-6.6	176.1	-59.6	-179.3	62.7	0	0	113.8	F464 D470 T524	F464-M468 HydrophobicContact CB-CG 4.44Å; F464-M468 HydrophobicContact CB-SD 3.95Å; F464-M468 HydrophobicContact CD1-CG 4.16Å; F464-M468 HydrophobicContact CD1-SD 3.51Å; F464-M468 VanDerWaalsContact CD1-SD 3.51Å; F464-M468 HydrophobicContact CE1-SD 4.31Å; F464-M468 HydrophobicContact CG-SD 3.99Å; F464-M468 WeakPolarHBondContact O-CA 3.36Å; F464-M468 WeakPolarHBondContact O-CB 3.28Å; F464-M468 PolarHBondContact O-N 3.04Å; M468-D470 PolarHBondContact O-N 3.32Å; M468-T524 HydrophobicContact CG-CG2 3.76Å; M468-T524 HydrophobicContact SD-CG2 3.98Å
469	G	64.7	Low	63	Low	39 Å²	39	93.7 Å²	93.7	40%	0.402	49%	0.49	S	S	.	.			trans	-67	114.2	176.7	0	0	0	0	0	111.5
470	D	49.4	Very low	59.8	Low	130 Å²	130	102.6 Å²	102.6	70%	0.695	53%	0.53	S	S	*	.			trans	-63.6	132.4	168.4	-83.4	-27.6	0	0	0	110.4	M468 T472	M468-D470 PolarHBondContact O-N 3.32Å; D470-T472 VanDerWaalsContact CB-OG1 3.25Å; D470-T472 WeakPolarHBondContact CB-OG1 3.44Å; D470-T472 PolarHBondContact O-N 3.5Å
471	D	47.1	Very low	56.8	Low	97 Å²	97	110.2 Å²	110.2	52%	0.519	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-62	-6.9	171.7	-68.8	-55.7	0	0	0	112.7	K473 R474 K520	D471-K473 VanDerWaalsContact C-N 3.27Å; D471-K473 PolarHBondContact O-N 2.88Å; D471-R474 PolarHBondContact O-N 3.28Å; D471-R474 VanDerWaalsContact O-N 3.16Å; D471-K520 IonicContact OD1-NZ 2.68Å; D471-K520 IonicContact OD2-NZ 2.85Å; D471-K520 PolarHBondContact OD2-NZ 3.04Å
472	T	40.3	Very low	53.6	Low	104 Å²	104	115.2 Å²	115.2	64%	0.638	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-68.3	-15.8	179.8	51.4	0	0	0	0	114.9	D470	D470-T472 VanDerWaalsContact CB-OG1 3.25Å; D470-T472 WeakPolarHBondContact CB-OG1 3.44Å; D470-T472 PolarHBondContact O-N 3.5Å
473	K	40.4	Very low	50.7	Low	195 Å²	195	119.4 Å²	119.4	85%	0.848	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-84.1	-10.8	173	-78.5	-177.2	-179.5	173.8	0	114	D471	D471-K473 VanDerWaalsContact C-N 3.27Å; D471-K473 PolarHBondContact O-N 2.88Å
474	R	38.1	Very low	47.7	Very low	216 Å²	216	125.1 Å²	125.1	82%	0.815	67%	0.665	S	S	*	*	S	Bend	trans	-89.4	-11.2	178.9	-81	178.6	170.4	173	-4.2	113.9	D471 K476	D471-R474 PolarHBondContact O-N 3.28Å; D471-R474 VanDerWaalsContact O-N 3.16Å; R474-K476 PolarHBondContact O-N 2.71Å
475	E	31.5	Very low	44.9	Very low	165 Å²	165	132.4 Å²	132.4	77%	0.771	70%	0.699	S	S	*	*			trans	-93.5	39.2	178.2	-69.2	-171.7	158.4	0	0	114.4	P477	E475-P477 WeakPolarHBondContact O-CD 3.4Å
476	K	27.2	Very low	42	Very low	187 Å²	187	134.5 Å²	134.5	81%	0.813	71%	0.714	S	S	*	*			trans	-103.3	102.3	158.4	-74.7	-169.6	178.5	-173.7	0	108.1	R474	R474-K476 PolarHBondContact O-N 2.71Å
477	P	31.1	Very low	39.3	Very low	111 Å²	111	137.7 Å²	137.7	72%	0.721	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-61.1	148.9	169	25.9	-30.2	0	0	0	109.1	E475	E475-P477 WeakPolarHBondContact O-CD 3.4Å
478	P	34.2	Very low	36.8	Very low	120 Å²	120	143.9 Å²	143.9	78%	0.779	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-60.9	139.5	178.2	25.1	-31.1	0	0	0	109.7	E480	P478-E480 PolarHBondContact O-N 3.11Å; P478-E480 VanDerWaalsContact O-N 3.16Å
479	A	29.1	Very low	34.5	Very low	97 Å²	97	149.9 Å²	149.9	80%	0.802	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-55.6	118.4	172.4	0	0	0	0	0	109.1	D481	A479-D481 PolarHBondContact O-N 3.24Å
480	E	28.5	Very low	32.6	Very low	193 Å²	193	155.7 Å²	155.7	90%	0.902	80%	0.801	S	S	*	*			trans	-67.4	116	164	-75.5	-178.1	155.1	0	0	107.8	P478 S482	P478-E480 PolarHBondContact O-N 3.11Å; P478-E480 VanDerWaalsContact O-N 3.16Å; E480-S482 PolarHBondContact O-N 3.28Å
481	D	29.3	Very low	31.5	Very low	164 Å²	164	154.8 Å²	154.8	88%	0.877	81%	0.805	S	S	*	*			trans	-66.5	121.1	162.9	-87.3	-32.8	0	0	0	108.4	A479	A479-D481 PolarHBondContact O-N 3.24Å
482	S	27.4	Very low	30.5	Very low	118 Å²	118	153 Å²	153	83%	0.825	81%	0.809	S	S	*	*			trans	-72.7	124	170.4	53.6	0	0	0	0	111.1	E480	E480-S482 PolarHBondContact O-N 3.28Å
483	S	28.4	Very low	29.9	Very low	108 Å²	108	155.9 Å²	155.9	76%	0.755	82%	0.82	S	S	*	*			trans	-153.3	107.5	148.7	62	0	0	0	0	111
484	D	29	Very low	29.6	Very low	157 Å²	157	153.8 Å²	153.8	84%	0.84	82%	0.818	S	S	*	*			trans	19	123.9	147.6	-55.3	-29.9	0	0	0	120
485	E	29.7	Very low	29.4	Very low	194 Å²	194	154.2 Å²	154.2	91%	0.907	82%	0.821	S	S	*	*				179.5	147	97.8	-96.4	-168.1	164.9	0	0	111.8
486	D	28	Very low	29.5	Very low	156 Å²	156	152.7 Å²	152.7	83%	0.834	82%	0.818	S	S	*	*			trans	-56.3	138.1	173.7	-73.2	-59.1	0	0	0	113.5
487	D	29.2	Very low	29.7	Very low	164 Å²	164	153 Å²	153	88%	0.877	82%	0.819	S	S	*	*				179.1	144.9	112	-115.5	-31.1	0	0	0	114.9
488	K	32.1	Very low	29.6	Very low	192 Å²	192	152.5 Å²	152.5	84%	0.835	83%	0.825	S	S	*	*			trans	-80.3	136.2	176.3	-74.7	168.8	172.7	165.3	0	112
489	R	29.2	Very low	29.5	Very low	241 Å²	241	150.6 Å²	150.6	91%	0.909	83%	0.827	S	S	*	*				154.5	123.4	123.7	-91.3	172.6	162.4	168.1	-4.9	113.9
490	N	26.1	Very low	29.7	Very low	161 Å²	161	155.2 Å²	155.2	86%	0.861	83%	0.829	S	S	*	*			trans	31.4	129.9	135.9	-104.5	5.4	0	0	0	122.6
491	S	25.3	Very low	29.8	Very low	111 Å²	111	152.9 Å²	152.9	78%	0.776	83%	0.828	S	S	*	*				73.5	113.7	127.1	166.2	0	0	0	0	120.3
492	G	26.3	Very low	29.9	Very low	58 Å²	58	156 Å²	156	60%	0.598	83%	0.827	S	S	*	*				95.9	109.1	129.6	0	0	0	0	0	116.9
493	N	28.7	Very low	30	Very low	165 Å²	165	159.8 Å²	159.8	88%	0.882	83%	0.829	S	S	*	*				163.5	134	115.4	-84.8	-21.2	0	0	0	112.7
494	L	33	Very low	29.9	Very low	151 Å²	151	163.4 Å²	163.4	79%	0.791	83%	0.833	S	S	*	*			trans	-45	147.2	159	-75.9	68.9	0	0	0	112.1
495	Y	34.6	Very low	29.8	Very low	225 Å²	225	161.7 Å²	161.7	88%	0.882	83%	0.829	S	S	*	*				-165.5	133.8	116.9	-106.3	-76.5	0	0	0	111.7
496	D	32.7	Very low	29.7	Very low	134 Å²	134	157.5 Å²	157.5	72%	0.717	82%	0.82	S	S	*	*			trans	-50.9	147.8	171.5	-70.6	-51.5	0	0	0	114.9
497	K	32.1	Very low	29.9	Very low	192 Å²	192	158.6 Å²	158.6	84%	0.835	82%	0.82	S	S	*	*				158.5	128	91.6	-126.3	162.8	-169	176.8	0	112.9
498	A	29.4	Very low	29.8	Very low	102 Å²	102	159.2 Å²	159.2	84%	0.843	82%	0.818	S	S	*	*			trans	52.3	115.8	135	0	0	0	0	0	121.5
499	G	32.1	Very low	29.6	Very low	80 Å²	80	159.3 Å²	159.3	83%	0.825	82%	0.821	S	S	*	*			trans	173.1	85.1	155.4	0	0	0	0	0	113.4
500	K	32.5	Very low	29.6	Very low	193 Å²	193	157 Å²	157	84%	0.839	82%	0.818	S	S	*	*			trans	-58.1	135.9	176	-76.1	173	174.2	170.4	0	112.4
501	V	30.9	Very low	29.9	Very low	144 Å²	144	153.8 Å²	153.8	87%	0.873	81%	0.814	S	S	*	*				-137.5	115.7	129.5	-176.6	0	0	0	0	108.4	K503	V501-K503 PolarHBondContact O-N 3.24Å
502	R	30.9	Very low	30.5	Very low	229 Å²	229	156.3 Å²	156.3	86%	0.864	81%	0.813	S	S	*	*			trans	-61	119.9	172.1	-82.7	174.9	166.6	168.9	-6.2	109.3
503	K	29	Very low	31.2	Very low	199 Å²	199	162.1 Å²	162.1	87%	0.865	83%	0.825	S	S	*	*			trans	-108.9	119.1	151.3	-146.2	175.7	-173.8	-179.3	0	106.6	V501 V505	V501-K503 PolarHBondContact O-N 3.24Å; K503-V505 PolarHBondContact O-N 2.91Å; K503-V505 VanDerWaalsContact O-N 3.11Å
504	H	26.8	Very low	32.2	Very low	183 Å²	183	157.6 Å²	157.6	85%	0.847	82%	0.817	S	S	*	*			trans	-48.7	116.7	173.9	-113	-96.6	0	0	0	108.8	S506	H504-S506 VanDerWaalsContact C-N 3.29Å; H504-S506 PolarHBondContact O-N 3.38Å
505	V	28.2	Very low	33.3	Very low	122 Å²	122	153.4 Å²	153.4	74%	0.739	80%	0.795	S	S	*	*			trans	-63.6	99.5	157.3	176	0	0	0	0	104.4	K503 E507	K503-V505 PolarHBondContact O-N 2.91Å; K503-V505 VanDerWaalsContact O-N 3.11Å; V505-E507 PolarHBondContact O-N 3.43Å
506	S	27.5	Very low	35.1	Very low	105 Å²	105	144.3 Å²	144.3	73%	0.734	77%	0.769	S	S	*	*			trans	-57.2	126.1	158.3	50.2	0	0	0	0	106.2	H504 Q508	H504-S506 VanDerWaalsContact C-N 3.29Å; H504-S506 PolarHBondContact O-N 3.38Å; S506-Q508 PolarHBondContact O-N 2.84Å
507	E	30.7	Very low	37.2	Very low	179 Å²	179	143 Å²	143	84%	0.836	77%	0.768	S	S	*	*			trans	-28.6	125.6	175.7	-75	163.2	124	0	0	111.9	V505 E509	V505-E507 PolarHBondContact O-N 3.43Å; E507-E509 PolarHBondContact O-N 3.26Å
508	Q	26.8	Very low	39.7	Very low	178 Å²	178	139.8 Å²	139.8	83%	0.832	76%	0.76	S	S	*	*			trans	-42.6	109.8	151.2	-79.4	164	-54.6	0	0	107.1	S506 K510	S506-Q508 PolarHBondContact O-N 2.84Å; Q508-K510 VanDerWaalsContact C-N 3.34Å; Q508-K510 PolarHBondContact O-N 3.02Å
509	E	29.7	Very low	42.3	Very low	193 Å²	193	138.9 Å²	138.9	90%	0.902	74%	0.74	S	S	*	*			trans	-52.3	110.4	159.1	-80.3	-177.6	154.1	0	0	105.5	E507 A511	E507-E509 PolarHBondContact O-N 3.26Å; E509-A511 PolarHBondContact O-N 2.86Å
510	K	28.9	Very low	44.9	Very low	194 Å²	194	136.8 Å²	136.8	84%	0.843	71%	0.709	S	S	*	*			trans	-44.5	116.6	174.6	-74.5	174.4	174	178.4	0	107.6	Q508 E512	Q508-K510 VanDerWaalsContact C-N 3.34Å; Q508-K510 PolarHBondContact O-N 3.02Å; K510-E512 PolarHBondContact O-N 3.46Å
511	A	31.5	Very low	47.4	Very low	93 Å²	93	130.8 Å²	130.8	77%	0.769	69%	0.691	S	S	*	*			trans	-49.9	113.6	156.1	0	0	0	0	0	106.2	E509 E513	E509-A511 PolarHBondContact O-N 2.86Å; A511-E513 PolarHBondContact O-N 3.04Å
512	E	37.9	Very low	50.3	Low	163 Å²	163	129.4 Å²	129.4	76%	0.762	68%	0.677	S	S	*	*			trans	-50.8	118.5	174.5	-77.8	-177	151.1	0	0	107.9	H466 K510 G514	H466-E512 IonicContact CE1-OE2 3.84Å; K510-E512 PolarHBondContact O-N 3.46Å; E512-G514 PolarHBondContact O-N 3.45Å
513	E	41.8	Very low	53.1	Low	181 Å²	181	119.9 Å²	119.9	85%	0.846	65%	0.645	S	S	*	*			trans	-48.1	113.9	169.8	-69.6	172.8	154.3	0	0	107.9	A511 L515	A511-E513 PolarHBondContact O-N 3.04Å; E513-L515 PolarHBondContact O-N 2.72Å
514	G	48.4	Very low	55.9	Low	69 Å²	69	112 Å²	112	71%	0.711	61%	0.613	S	S	*	*			trans	-55.5	114.1	179.5	0	0	0	0	0	109.6	E512 G516	E512-G514 PolarHBondContact O-N 3.45Å; G514-G516 PolarHBondContact O-N 3.04Å
515	L	57.6	Low	58.9	Low	64 Å²	64	109 Å²	109	34%	0.335	60%	0.601	S	S	.	*			trans	-51.3	129.4	170.8	-78.9	91.7	0	0	0	108.4	Y467 E513 I519	Y467-L515 HydrophobicContact CE1-CD2 3.96Å; E513-L515 PolarHBondContact O-N 2.72Å; L515-I519 HydrophobicContact CB-CB 4.42Å; L515-I519 HydrophobicContact CD2-CB 4.23Å; L515-I519 HydrophobicContact CD2-CD1 4.43Å; L515-I519 HydrophobicContact CD2-CG2 3.56Å
516	G	70.7	Confident	62	Low	33 Å²	33	107 Å²	107	34%	0.34	59%	0.586	S	S	.	*			trans	-51.9	145.2	-178.6	0	0	0	0	0	111.6	G514 N518 I519 K520	G514-G516 PolarHBondContact O-N 3.04Å; G516-N518 PolarHBondContact O-N 2.88Å; G516-I519 PolarHBondContact O-N 3.49Å; G516-K520 PolarHBondContact O-N 2.72Å
517	P	77.9	Confident	65	Low	106 Å²	106	103.5 Å²	103.5	69%	0.688	56%	0.558	S	S	*	*	H	α-helix	trans	-54.8	-28	-174.8	17.9	-30.2	0	0	0	113.3	K520 S521	P517-K520 PolarHBondContact O-N 3.04Å; P517-S521 WeakPolarHBondContact O-CB 3.34Å; P517-S521 PolarHBondContact O-N 3.47Å
518	N	83.9	Confident	67.9	Low	126 Å²	126	99.4 Å²	99.4	67%	0.674	54%	0.541	S	S	*	.	H	α-helix	trans	-63.2	-39.4	173.8	-63.2	-18	0	0	0	112.9	G516 S521 I522	G516-N518 PolarHBondContact O-N 2.88Å; N518-S521 PolarHBondContact O-N 3.33Å; N518-I522 WeakPolarHBondContact O-CB 3.24Å; N518-I522 WeakPolarHBondContact O-CD1 3.36Å; N518-I522 WeakPolarHBondContact O-CG1 3.26Å; N518-I522 PolarHBondContact O-N 3.47Å
519	I	85.4	Confident	71.2	Confident	82 Å²	82	96.1 Å²	96.1	42%	0.421	53%	0.527	S	S	.	.	H	α-helix	trans	-71.1	-42.6	179.2	-57.1	171.4	0	0	0	110	L515 G516 S521 I522 V523	L515-I519 HydrophobicContact CB-CB 4.42Å; L515-I519 HydrophobicContact CD2-CB 4.23Å; L515-I519 HydrophobicContact CD2-CD1 4.43Å; L515-I519 HydrophobicContact CD2-CG2 3.56Å; G516-I519 PolarHBondContact O-N 3.49Å; I519-S521 VanDerWaalsContact C-N 3.29Å; I519-S521 PolarHBondContact O-N 3.28Å; I519-I522 PolarHBondContact O-N 3.07Å; I519-V523 HydrophobicContact CG2-CG2 4.12Å; I519-V523 WeakPolarHBondContact O-CB 3.33Å; I519-V523 VanDerWaalsContact O-CG2 3.28Å; I519-V523 WeakPolarHBondContact O-CG2 3.45Å; I519-V523 PolarHBondContact O-N 3.2Å
520	K	84.8	Confident	74.2	Confident	37 Å²	37	89.6 Å²	89.6	16%	0.161	50%	0.498	C	S	.	.	H	α-helix	trans	-56	-45.1	174.6	-65.4	-174.4	-178.8	-176.6	0	111.2	Y467 D471 G516 P517 T524	Y467-K520 HydrophobicContact CD1-CG 4.32Å; D471-K520 IonicContact OD1-NZ 2.68Å; D471-K520 IonicContact OD2-NZ 2.85Å; D471-K520 PolarHBondContact OD2-NZ 3.04Å; G516-K520 PolarHBondContact O-N 2.72Å; P517-K520 PolarHBondContact O-N 3.04Å; K520-T524 WeakPolarHBondContact O-CB 3.47Å; K520-T524 PolarHBondContact O-N 3.09Å; K520-T524 VanDerWaalsContact O-N 3.07Å; K520-T524 PolarHBondContact O-OG1 2.81Å
521	S	86.1	Confident	77.3	Confident	66 Å²	66	81.8 Å²	81.8	46%	0.462	47%	0.466	S	S	.	.	H	α-helix	trans	-65.3	-46.8	176.7	-174.8	0	0	0	0	112.8	P517 N518 I519 V523 T524 M525	P517-S521 WeakPolarHBondContact O-CB 3.34Å; P517-S521 PolarHBondContact O-N 3.47Å; N518-S521 PolarHBondContact O-N 3.33Å; I519-S521 VanDerWaalsContact C-N 3.29Å; I519-S521 PolarHBondContact O-N 3.28Å; S521-V523 PolarHBondContact O-N 3.2Å; S521-T524 PolarHBondContact O-N 2.88Å; S521-M525 WeakPolarHBondContact O-CG 3.39Å; S521-M525 PolarHBondContact O-N 2.62Å
522	I	90.6	Very high	80.3	Confident	115 Å²	115	83.1 Å²	83.1	59%	0.59	46%	0.458	S	S	*	.	H	α-helix	trans	-60.1	-45.9	178	-72.9	166.7	0	0	0	111.3	N518 I519 T524 M525 L526	N518-I522 WeakPolarHBondContact O-CB 3.24Å; N518-I522 WeakPolarHBondContact O-CD1 3.36Å; N518-I522 WeakPolarHBondContact O-CG1 3.26Å; N518-I522 PolarHBondContact O-N 3.47Å; I519-I522 PolarHBondContact O-N 3.07Å; I522-T524 VanDerWaalsContact C-N 3.34Å; I522-T524 PolarHBondContact O-N 3.2Å; I522-M525 PolarHBondContact O-N 3.38Å; I522-L526 WeakPolarHBondContact O-CB 3.39Å; I522-L526 PolarHBondContact O-N 3.45Å
523	V	89.9	Confident	83	Confident	30 Å²	30	80.4 Å²	80.4	18%	0.182	45%	0.446	C	S	.	.	H	α-helix	trans	-63.3	-42.9	179.3	173	0	0	0	0	110.7	V463 Y467 I519 S521 M525 L526 M527	V463-V523 HydrophobicContact CG1-CG1 4.13Å; Y467-V523 HydrophobicContact CD1-CB 4.31Å; Y467-V523 HydrophobicContact CD1-CG1 4.27Å; Y467-V523 HydrophobicContact CD2-CB 4.48Å; Y467-V523 HydrophobicContact CD2-CG1 3.61Å; Y467-V523 HydrophobicContact CE1-CG1 4.47Å; Y467-V523 HydrophobicContact CE1-CG2 4.38Å; Y467-V523 HydrophobicContact CE2-CG1 3.85Å; Y467-V523 HydrophobicContact CG-CB 4.25Å; Y467-V523 HydrophobicContact CG-CG1 3.85Å; I519-V523 HydrophobicContact CG2-CG2 4.12Å; I519-V523 WeakPolarHBondContact O-CB 3.33Å; I519-V523 VanDerWaalsContact O-CG2 3.28Å; I519-V523 WeakPolarHBondContact O-CG2 3.45Å; I519-V523 PolarHBondContact O-N 3.2Å; S521-V523 PolarHBondContact O-N 3.2Å; V523-M525 PolarHBondContact O-N 2.88Å; V523-L526 PolarHBondContact O-N 3.46Å; V523-M527 WeakPolarHBondContact O-CG 3.43Å; V523-M527 PolarHBondContact O-N 3.31Å
524	T	88.2	Confident	85.6	Confident	32 Å²	32	72 Å²	72	20%	0.196	41%	0.407	C	S	.	.	H	α-helix	trans	-63	-44.1	178.1	-54.3	0	0	0	0	111.4	M468 K520 S521 I522 M527 L528	M468-T524 HydrophobicContact CG-CG2 3.76Å; M468-T524 HydrophobicContact SD-CG2 3.98Å; K520-T524 WeakPolarHBondContact O-CB 3.47Å; K520-T524 PolarHBondContact O-N 3.09Å; K520-T524 VanDerWaalsContact O-N 3.07Å; K520-T524 PolarHBondContact O-OG1 2.81Å; S521-T524 PolarHBondContact O-N 2.88Å; I522-T524 VanDerWaalsContact C-N 3.34Å; I522-T524 PolarHBondContact O-N 3.2Å; T524-M527 PolarHBondContact O-N 3.11Å; T524-L528 PolarHBondContact O-N 3.06Å
525	M	90	Very high	87.9	Confident	122 Å²	122	70.3 Å²	70.3	60%	0.601	39%	0.386	S	S	*	.	H	α-helix	trans	-64.7	-39.8	176.2	-73.7	-64.4	173.1	0	0	112.5	S521 I522 V523 L528 M529	S521-M525 WeakPolarHBondContact O-CG 3.39Å; S521-M525 PolarHBondContact O-N 2.62Å; I522-M525 PolarHBondContact O-N 3.38Å; V523-M525 PolarHBondContact O-N 2.88Å; M525-L528 PolarHBondContact O-N 3.31Å; M525-M529 WeakPolarHBondContact O-CB 3.47Å; M525-M529 PolarHBondContact O-N 3.45Å
526	L	92.9	Very high	89.7	Confident	80 Å²	80	71.8 Å²	71.8	42%	0.419	40%	0.398	S	S	.	.	H	α-helix	trans	-61.7	-46.3	175.5	179	63.2	0	0	0	111.3	I522 V523 L528 M529 L530	I522-L526 WeakPolarHBondContact O-CB 3.39Å; I522-L526 PolarHBondContact O-N 3.45Å; V523-L526 PolarHBondContact O-N 3.46Å; L526-L528 VanDerWaalsContact C-N 3.34Å; L526-L528 PolarHBondContact O-N 3.18Å; L526-M529 HydrophobicContact CD1-CE 3.71Å; L526-M529 PolarHBondContact O-N 3.39Å; L526-L530 WeakPolarHBondContact O-CG 3.25Å; L526-L530 PolarHBondContact O-N 2.71Å
527	M	91.4	Very high	90.9	Very high	30 Å²	30	71.7 Å²	71.7	15%	0.148	39%	0.388	C	S	.	.	H	α-helix	trans	-62.5	-42.2	177	-68.1	-57.9	103.5	0	0	111.4	F460 V463 F464 V523 T524 M529 L530 L531	F460-M527 HydrophobicContact CD1-SD 3.95Å; F460-M527 HydrophobicContact CE1-SD 3.62Å; V463-M527 HydrophobicContact CG1-CG 3.81Å; V463-M527 HydrophobicContact CG1-SD 4.2Å; F464-M527 HydrophobicContact CE1-CB 3.7Å; F464-M527 HydrophobicContact CE1-CG 4.42Å; F464-M527 HydrophobicContact CZ-CB 3.83Å; V523-M527 WeakPolarHBondContact O-CG 3.43Å; V523-M527 PolarHBondContact O-N 3.31Å; T524-M527 PolarHBondContact O-N 3.11Å; M527-M529 VanDerWaalsContact C-N 3.35Å; M527-M529 PolarHBondContact O-N 2.96Å; M527-L530 HydrophobicContact CE-CD1 3.73Å; M527-L530 PolarHBondContact O-N 2.78Å; M527-L530 HydrophobicContact SD-CD1 4.37Å; M527-L531 WeakPolarHBondContact O-CG 3.5Å; M527-L531 PolarHBondContact O-N 3.38Å; M527-L531 VanDerWaalsContact O-N 3.08Å
528	L	92.2	Very high	91.7	Very high	93 Å²	93	66.7 Å²	66.7	49%	0.487	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-41.3	176.6	-169.8	67	0	0	0	111.9	T524 M525 L526 L530 L531 M532	T524-L528 PolarHBondContact O-N 3.06Å; M525-L528 PolarHBondContact O-N 3.31Å; L526-L528 VanDerWaalsContact C-N 3.34Å; L526-L528 PolarHBondContact O-N 3.18Å; L528-L530 VanDerWaalsContact C-N 3.34Å; L528-L530 PolarHBondContact O-N 3.25Å; L528-L531 PolarHBondContact O-N 2.9Å; L528-M532 WeakPolarHBondContact O-CG 3.49Å; L528-M532 PolarHBondContact O-N 2.99Å
529	M	94.3	Very high	92.3	Very high	109 Å²	109	63.9 Å²	63.9	54%	0.537	34%	0.343	S	S	.	.	H	α-helix	trans	-60.8	-41.6	175.4	-175.1	178.4	65.5	0	0	111.8	M525 L526 M527 L531 M532 M533	M525-M529 WeakPolarHBondContact O-CB 3.47Å; M525-M529 PolarHBondContact O-N 3.45Å; L526-M529 HydrophobicContact CD1-CE 3.71Å; L526-M529 PolarHBondContact O-N 3.39Å; M527-M529 VanDerWaalsContact C-N 3.35Å; M527-M529 PolarHBondContact O-N 2.96Å; M529-L531 VanDerWaalsContact C-N 3.35Å; M529-L531 PolarHBondContact O-N 3.09Å; M529-M532 PolarHBondContact O-N 3.43Å; M529-M533 WeakPolarHBondContact O-CG 3.36Å; M529-M533 PolarHBondContact O-N 2.93Å
530	L	94.1	Very high	92.7	Very high	56 Å²	56	66.9 Å²	66.9	29%	0.293	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-40.6	175.4	-68.3	175.2	0	0	0	112.1	I404 L526 M527 L528 M532 M533 F534	I404-L530 HydrophobicContact CD1-CB 4.45Å; I404-L530 HydrophobicContact CG2-CD2 4.45Å; L526-L530 WeakPolarHBondContact O-CG 3.25Å; L526-L530 PolarHBondContact O-N 2.71Å; M527-L530 HydrophobicContact CE-CD1 3.73Å; M527-L530 PolarHBondContact O-N 2.78Å; M527-L530 HydrophobicContact SD-CD1 4.37Å; L528-L530 VanDerWaalsContact C-N 3.34Å; L528-L530 PolarHBondContact O-N 3.25Å; L530-M532 VanDerWaalsContact C-N 3.33Å; L530-M532 PolarHBondContact O-N 3.08Å; L530-M533 PolarHBondContact O-N 3.49Å; L530-F534 WeakPolarHBondContact O-CB 3Å; L530-F534 PolarHBondContact O-N 3.45Å
531	L	94.4	Very high	93.2	Very high	30 Å²	30	65.1 Å²	65.1	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-37.8	175.7	-63.9	175.1	0	0	0	112.1	F188 I404 F460 F464 M527 L528 M529 F534 A535	F188-L531 HydrophobicContact CE1-CD2 3.43Å; F188-L531 VanDerWaalsContact CE1-CD2 3.43Å; F188-L531 HydrophobicContact CZ-CD2 3.5Å; I404-L531 HydrophobicContact CD1-CD2 4.31Å; F460-L531 HydrophobicContact CE1-CD2 4.39Å; F460-L531 HydrophobicContact CZ-CD2 4.44Å; F464-L531 HydrophobicContact CE2-CD1 4.18Å; F464-L531 HydrophobicContact CZ-CD1 3.88Å; M527-L531 WeakPolarHBondContact O-CG 3.5Å; M527-L531 PolarHBondContact O-N 3.38Å; M527-L531 VanDerWaalsContact O-N 3.08Å; L528-L531 PolarHBondContact O-N 2.9Å; M529-L531 VanDerWaalsContact C-N 3.35Å; M529-L531 PolarHBondContact O-N 3.09Å; L531-F534 WeakPolarHBondContact O-CB 3.27Å; L531-F534 PolarHBondContact O-N 3.5Å; L531-A535 PolarHBondContact O-N 3.5Å
532	M	94.3	Very high	93.6	Very high	122 Å²	122	62 Å²	62	60%	0.601	32%	0.32	S	S	*	.	H	α-helix	trans	-66	-45.2	174.9	-69	-60.8	-66.9	0	0	111.6	L528 M529 L530 F534 A535 V536	L528-M532 WeakPolarHBondContact O-CG 3.49Å; L528-M532 PolarHBondContact O-N 2.99Å; M529-M532 PolarHBondContact O-N 3.43Å; L530-M532 VanDerWaalsContact C-N 3.33Å; L530-M532 PolarHBondContact O-N 3.08Å; M532-F534 VanDerWaalsContact C-N 3.29Å; M532-F534 PolarHBondContact O-N 3.3Å; M532-A535 PolarHBondContact O-N 2.85Å; M532-V536 WeakPolarHBondContact O-CG2 3.26Å; M532-V536 PolarHBondContact O-N 3.47Å
533	M	95.1	Very high	93.6	Very high	105 Å²	105	57.5 Å²	57.5	52%	0.517	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-40.2	174.9	-71.2	-61.9	-65.2	0	0	111.7	M529 L530 V536 H537	M529-M533 WeakPolarHBondContact O-CG 3.36Å; M529-M533 PolarHBondContact O-N 2.93Å; L530-M533 PolarHBondContact O-N 3.49Å; M533-V536 PolarHBondContact O-N 2.96Å; M533-H537 WeakPolarHBondContact O-CB 3.4Å; M533-H537 PolarHBondContact O-N 2.99Å
534	F	95.7	Very high	93.5	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-58.9	-48.1	173.6	174.5	-105.7	0	0	0	112.2	F188 I191 H403 I404 L405 L530 L531 M532 V536 H537 C538	F188-F534 HydrophobicContact CD1-CD1 4.14Å; F188-F534 AromaticContact CD1-CE1 3.7Å; F188-F534 HydrophobicContact CD1-CE1 3.7Å; F188-F534 HydrophobicContact CD1-CZ 4.36Å; F188-F534 HydrophobicContact CE1-CD1 4.3Å; F188-F534 HydrophobicContact CE1-CE1 4.29Å; I191-F534 HydrophobicContact CD1-CD1 4.12Å; I191-F534 HydrophobicContact CD1-CE1 3.79Å; I191-F534 HydrophobicContact CG1-CE1 3.88Å; I191-F534 HydrophobicContact CG1-CZ 4.49Å; H403-F534 HydrophobicContact CB-CD2 4.08Å; I404-F534 HydrophobicContact CD1-CB 3.56Å; I404-F534 HydrophobicContact CD1-CD2 4.27Å; I404-F534 HydrophobicContact CD1-CG 3.97Å; I404-F534 HydrophobicContact CG1-CB 3.82Å; I404-F534 HydrophobicContact CG1-CD2 3.73Å; I404-F534 HydrophobicContact CG1-CG 3.95Å; L405-F534 HydrophobicContact CD1-CE2 3.73Å; L405-F534 HydrophobicContact CD1-CZ 3.72Å; L405-F534 HydrophobicContact CD2-CE2 4.29Å; L405-F534 HydrophobicContact CD2-CZ 4.38Å; L405-F534 HydrophobicContact CG-CD2 4.39Å; L405-F534 HydrophobicContact CG-CE2 3.72Å; L405-F534 HydrophobicContact CG-CZ 4.09Å; L530-F534 WeakPolarHBondContact O-CB 3Å; L530-F534 PolarHBondContact O-N 3.45Å; L531-F534 WeakPolarHBondContact O-CB 3.27Å; L531-F534 PolarHBondContact O-N 3.5Å; M532-F534 VanDerWaalsContact C-N 3.29Å; M532-F534 PolarHBondContact O-N 3.3Å; F534-V536 VanDerWaalsContact C-N 3.34Å; F534-V536 PolarHBondContact O-N 3.49Å; F534-H537 PolarHBondContact O-N 3.5Å; F534-C538 WeakPolarHBondContact CE2-SG 3.28Å; F534-C538 WeakPolarHBondContact CZ-SG 3.45Å; F534-C538 WeakPolarHBondContact O-CB 3.43Å; F534-C538 PolarHBondContact O-N 2.81Å; F534-C538 PolarHBondContact O-SG 3.33Å
535	A	95.6	Very high	93.5	Very high	35 Å²	35	61.1 Å²	61.1	29%	0.289	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-41.1	179.2	0	0	0	0	0	112.6	I191 L531 M532 T539	I191-A535 HydrophobicContact CD1-CB 4.21Å; L531-A535 PolarHBondContact O-N 3.5Å; M532-A535 PolarHBondContact O-N 2.85Å; A535-T539 WeakPolarHBondContact O-CB 3.38Å; A535-T539 PolarHBondContact O-N 3.15Å; A535-T539 VanDerWaalsContact O-N 3.08Å; A535-T539 PolarHBondContact O-OG1 3.31Å
536	V	96	Very high	93.4	Very high	94 Å²	94	58.1 Å²	58.1	57%	0.57	31%	0.305	S	S	*	.	H	α-helix	trans	-65.2	-47	176.6	174.7	0	0	0	0	111	M532 M533 F534 C538 T539 W540	M532-V536 WeakPolarHBondContact O-CG2 3.26Å; M532-V536 PolarHBondContact O-N 3.47Å; M533-V536 PolarHBondContact O-N 2.96Å; F534-V536 VanDerWaalsContact C-N 3.34Å; F534-V536 PolarHBondContact O-N 3.49Å; V536-C538 PolarHBondContact O-N 3.4Å; V536-T539 PolarHBondContact O-N 3.18Å; V536-W540 WeakPolarHBondContact O-CB 3.29Å; V536-W540 PolarHBondContact O-N 3.32Å
537	H	96.2	Very high	93.1	Very high	32 Å²	32	54.4 Å²	54.4	15%	0.148	29%	0.286	C	S	.	.	H	α-helix	trans	-57.6	-49.1	176.1	177	91.2	0	0	0	111.4	F400 H403 M533 F534 T539 W540 V541	F400-H537 PolarHBondContact O-NE2 2.68Å; H403-H537 AromaticContact CG-CD2 3.87Å; H403-H537 AromaticContact CG-CG 3.71Å; H403-H537 AromaticContact ND1-CD2 3.96Å; H403-H537 AromaticContact ND1-CE1 3.85Å; H403-H537 AromaticContact ND1-CG 3.49Å; H403-H537 AromaticContact ND1-ND1 3.43Å; H403-H537 PolarHBondContact ND1-ND1 3.26Å; M533-H537 WeakPolarHBondContact O-CB 3.4Å; M533-H537 PolarHBondContact O-N 2.99Å; F534-H537 PolarHBondContact O-N 3.5Å; H537-T539 VanDerWaalsContact C-N 3.31Å; H537-T539 PolarHBondContact O-N 3.09Å; H537-W540 PolarHBondContact O-N 3.45Å; H537-V541 WeakPolarHBondContact NE2-CG2 3.42Å; H537-V541 WeakPolarHBondContact O-CG2 3.42Å; H537-V541 PolarHBondContact O-N 2.92Å
538	C	95.4	Very high	92.5	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.007	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-42.9	-179.3	-67.4	0	0	0	0	112.3	I191 P193 F534 V536 T542	I191-C538 HydrophobicContact CB-CB 4.41Å; I191-C538 HydrophobicContact CD1-CB 4.37Å; I191-C538 HydrophobicContact CG1-CB 4.41Å; I191-C538 WeakPolarHBondContact O-CB 3.17Å; P193-C538 WeakPolarHBondContact CD-SG 3.42Å; P193-C538 HydrophobicContact CG-CB 4.13Å; F534-C538 WeakPolarHBondContact CE2-SG 3.28Å; F534-C538 WeakPolarHBondContact CZ-SG 3.45Å; F534-C538 WeakPolarHBondContact O-CB 3.43Å; F534-C538 PolarHBondContact O-N 2.81Å; F534-C538 PolarHBondContact O-SG 3.33Å; V536-C538 PolarHBondContact O-N 3.4Å; C538-T542 VanDerWaalsContact O-CB 3.32Å; C538-T542 WeakPolarHBondContact O-CB 3.29Å; C538-T542 PolarHBondContact O-N 3.2Å; C538-T542 PolarHBondContact O-OG1 3.5Å
539	T	95	Very high	92	Very high	67 Å²	67	52.5 Å²	52.5	41%	0.411	28%	0.283	S	S	.	.	H	α-helix	trans	-66.5	-43.8	178.2	-53.7	0	0	0	0	111.1	F74 A535 V536 H537 T542 S543	F74-T539 HydrophobicContact CZ-CG2 4.16Å; A535-T539 WeakPolarHBondContact O-CB 3.38Å; A535-T539 PolarHBondContact O-N 3.15Å; A535-T539 VanDerWaalsContact O-N 3.08Å; A535-T539 PolarHBondContact O-OG1 3.31Å; V536-T539 PolarHBondContact O-N 3.18Å; H537-T539 VanDerWaalsContact C-N 3.31Å; H537-T539 PolarHBondContact O-N 3.09Å; T539-T542 PolarHBondContact O-N 3Å; T539-S543 WeakPolarHBondContact O-CB 3.02Å; T539-S543 PolarHBondContact O-N 3.48Å
540	W	95.3	Very high	91.4	Very high	145 Å²	145	49 Å²	49	55%	0.549	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-46.1	178.4	179.8	92.2	0	0	0	112.2	F400 V536 H537 S543 N544	F400-W540 AromaticContact CE2-CZ3 3.97Å; F400-W540 HydrophobicContact CE2-CZ3 3.97Å; V536-W540 WeakPolarHBondContact O-CB 3.29Å; V536-W540 PolarHBondContact O-N 3.32Å; H537-W540 PolarHBondContact O-N 3.45Å; W540-S543 PolarHBondContact O-N 3.11Å; W540-N544 VanDerWaalsContact CD1-ND2 3.29Å; W540-N544 VanDerWaalsContact CE2-ND2 3.3Å; W540-N544 PolarHBondContact NE1-ND2 2.8Å; W540-N544 WeakPolarHBondContact O-CB 3.06Å; W540-N544 PolarHBondContact O-N 2.97Å
541	V	95.3	Very high	90.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-47.2	177.9	171	0	0	0	0	110.7	P193 F400 H537 S543 N544 A545 Y546	P193-V541 HydrophobicContact CB-CB 4.28Å; P193-V541 HydrophobicContact CB-CG1 3.7Å; P193-V541 HydrophobicContact CG-CB 4.1Å; P193-V541 HydrophobicContact CG-CG1 4.07Å; F400-V541 HydrophobicContact CD1-CG1 4.11Å; F400-V541 HydrophobicContact CD2-CG2 4.34Å; F400-V541 HydrophobicContact CE1-CG1 3.45Å; F400-V541 VanDerWaalsContact CE1-CG1 3.45Å; F400-V541 HydrophobicContact CE1-CG2 4.34Å; F400-V541 HydrophobicContact CE2-CG1 4.46Å; F400-V541 HydrophobicContact CE2-CG2 3.93Å; F400-V541 HydrophobicContact CZ-CB 4.31Å; F400-V541 HydrophobicContact CZ-CG1 3.65Å; F400-V541 HydrophobicContact CZ-CG2 3.92Å; H537-V541 WeakPolarHBondContact NE2-CG2 3.42Å; H537-V541 WeakPolarHBondContact O-CG2 3.42Å; H537-V541 PolarHBondContact O-N 2.92Å; V541-S543 VanDerWaalsContact C-N 3.32Å; V541-S543 PolarHBondContact O-N 3.27Å; V541-N544 PolarHBondContact O-N 3.22Å; V541-A545 HydrophobicContact CG1-CB 4.44Å; V541-A545 WeakPolarHBondContact O-CB 3.41Å; V541-A545 PolarHBondContact O-N 3.01Å; V541-Y546 HydrophobicContact CG1-CD2 3.79Å; V541-Y546 HydrophobicContact CG1-CE2 3.45Å; V541-Y546 VanDerWaalsContact CG1-CE2 3.45Å
542	T	93.4	Very high	90.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	25%	0.25	C	C	.	.	I	π-helix	trans	-61.3	-43.8	178.7	-57.2	0	0	0	0	111.4	S71 F74 I196 C538 T539 S547	S71-T542 WeakPolarHBondContact O-CG2 3.45Å; F74-T542 HydrophobicContact CD2-CG2 3.8Å; F74-T542 HydrophobicContact CE2-CG2 4.13Å; I196-T542 HydrophobicContact CD1-CG2 4.4Å; I196-T542 HydrophobicContact CG2-CG2 3.61Å; C538-T542 VanDerWaalsContact O-CB 3.32Å; C538-T542 WeakPolarHBondContact O-CB 3.29Å; C538-T542 PolarHBondContact O-N 3.2Å; C538-T542 PolarHBondContact O-OG1 3.5Å; T539-T542 PolarHBondContact O-N 3Å; T542-S547 VanDerWaalsContact O-CB 3.3Å; T542-S547 WeakPolarHBondContact O-CB 3.01Å; T542-S547 PolarHBondContact O-N 3.45Å; T542-S547 PolarHBondContact O-OG 2.9Å
543	S	90.6	Very high	89.9	Confident	20 Å²	20	41 Å²	41	14%	0.14	23%	0.23	C	C	.	.	I	π-helix	trans	-63.8	-39.7	177.8	165.8	0	0	0	0	112.9	R78 T539 W540 V541 S547	R78-S543 VanDerWaalsContact CZ-O 3.32Å; R78-S543 PolarHBondContact NH1-O 3.45Å; R78-S543 PolarHBondContact NH2-O 3.22Å; R78-S543 PolarHBondContact NH2-OG 3.13Å; T539-S543 WeakPolarHBondContact O-CB 3.02Å; T539-S543 PolarHBondContact O-N 3.48Å; W540-S543 PolarHBondContact O-N 3.11Å; V541-S543 VanDerWaalsContact C-N 3.32Å; V541-S543 PolarHBondContact O-N 3.27Å; S543-S547 VanDerWaalsContact C-OG 3.3Å; S543-S547 WeakPolarHBondContact CA-OG 3.16Å; S543-S547 PolarHBondContact O-OG 2.92Å
544	N	88.6	Confident	89.3	Confident	92 Å²	92	37.7 Å²	37.7	49%	0.492	22%	0.219	S	C	.	.	I	π-helix	trans	-106.2	-28.3	-166.4	-65.5	-16.2	0	0	0	114	W540 V541	W540-N544 VanDerWaalsContact CD1-ND2 3.29Å; W540-N544 VanDerWaalsContact CE2-ND2 3.3Å; W540-N544 PolarHBondContact NE1-ND2 2.8Å; W540-N544 WeakPolarHBondContact O-CB 3.06Å; W540-N544 PolarHBondContact O-N 2.97Å; V541-N544 PolarHBondContact O-N 3.22Å
545	A	87.6	Confident	88.6	Confident	46 Å²	46	40.1 Å²	40.1	38%	0.38	24%	0.236	S	C	.	.	I	π-helix	trans	-104.2	-50.7	-175.5	0	0	0	0	0	113	F400 V541	F400-A545 HydrophobicContact CE1-CB 3.96Å; F400-A545 HydrophobicContact CZ-CB 3.74Å; V541-A545 HydrophobicContact CG1-CB 4.44Å; V541-A545 WeakPolarHBondContact O-CB 3.41Å; V541-A545 PolarHBondContact O-N 3.01Å
546	Y	88.7	Confident	88	Confident	58 Å²	58	45.4 Å²	45.4	23%	0.227	25%	0.25	C	C	.	.	I	π-helix	trans	-93.9	-14.5	-169.6	-61.2	-53.7	0	0	0	115.1	P193 F400 D401 V541 S548	P193-Y546 HydrophobicContact CB-CD2 4.37Å; P193-Y546 HydrophobicContact CB-CE2 3.83Å; F400-Y546 HydrophobicContact CE1-CE2 4.31Å; D401-Y546 PolarHBondContact OD1-OH 3.31Å; V541-Y546 HydrophobicContact CG1-CD2 3.79Å; V541-Y546 HydrophobicContact CG1-CE2 3.45Å; V541-Y546 VanDerWaalsContact CG1-CE2 3.45Å; Y546-S548 VanDerWaalsContact C-N 3.31Å; Y546-S548 PolarHBondContact O-N 3.45Å
547	S	85.2	Confident	87.4	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.021	24%	0.238	C	C	.	.			trans	-94.1	42.9	-179.4	54.2	0	0	0	0	113.8	R78 T542 S543	R78-S547 PolarHBondContact NH1-OG 2.66Å; T542-S547 VanDerWaalsContact O-CB 3.3Å; T542-S547 WeakPolarHBondContact O-CB 3.01Å; T542-S547 PolarHBondContact O-N 3.45Å; T542-S547 PolarHBondContact O-OG 2.9Å; S543-S547 VanDerWaalsContact C-OG 3.3Å; S543-S547 WeakPolarHBondContact CA-OG 3.16Å; S543-S547 PolarHBondContact O-OG 2.92Å
548	S	80.5	Confident	86.8	Confident	79 Å²	79	52 Å²	52	55%	0.552	28%	0.276	S	S	*	.			trans	-114.5	120.8	175.5	-171.5	0	0	0	0	111.2	Y546	Y546-S548 VanDerWaalsContact C-N 3.31Å; Y546-S548 PolarHBondContact O-N 3.45Å
549	P	81.9	Confident	86.4	Confident	3 Å²	3	59 Å²	59	2%	0.019	31%	0.313	C	S	.	.			trans	-71.2	144.7	174.5	30.9	-34	0	0	0	111.3	F79 H84 V552	F79-P549 HydrophobicContact CD1-CG 3.62Å; F79-P549 HydrophobicContact CD2-CG 3.76Å; F79-P549 HydrophobicContact CE1-CG 3.37Å; F79-P549 HydrophobicContact CE2-CG 3.6Å; F79-P549 HydrophobicContact CG-CG 3.77Å; F79-P549 HydrophobicContact CZ-CG 3.38Å; H84-P549 WeakPolarHBondContact ND1-CB 3.44Å; P549-V552 HydrophobicContact CG-CB 4.37Å
550	S	80.6	Confident	85.9	Confident	36 Å²	36	58.4 Å²	58.4	25%	0.252	32%	0.321	S	S	.	.	S	Bend	trans	-86.3	-17.3	175.7	-37.4	0	0	0	0	113.5
551	V	83.2	Confident	85.6	Confident	1 Å²	1	55 Å²	55	1%	0.006	32%	0.316	C	S	.	.	S	Bend	trans	-78.7	-38	-178.2	176.4	0	0	0	0	111.6	I82 F568 R569 M598	I82-V551 HydrophobicContact CD1-CB 4.16Å; I82-V551 HydrophobicContact CD1-CG1 4.14Å; V551-F568 WeakPolarHBondContact O-CD2 3.23Å; V551-R569 HydrophobicContact CG1-CG 3.62Å; V551-M598 HydrophobicContact CB-CE 4.32Å; V551-M598 HydrophobicContact CG1-CE 3.59Å; V551-M598 HydrophobicContact CG2-CE 3.69Å
552	V	83.9	Confident	85	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.042	33%	0.329	C	S	.	.	S	Bend	trans	-119	118.8	-172.5	175.8	0	0	0	0	107.6	F79 I82 P549 I564	F79-V552 HydrophobicContact CD1-CG1 4.16Å; F79-V552 HydrophobicContact CE1-CG1 4.18Å; I82-V552 HydrophobicContact CD1-CG2 4.47Å; P549-V552 HydrophobicContact CG-CB 4.37Å; V552-I564 HydrophobicContact CG1-CB 4.45Å; V552-I564 HydrophobicContact CG1-CG2 3.06Å
553	L	83.9	Confident	84.6	Confident	33 Å²	33	62.2 Å²	62.2	17%	0.173	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.9	-179.7	-58.6	175.7	0	0	0	109.2	L565 F568 I649 Y651 L750	L553-L565 HydrophobicContact CB-CB 4.21Å; L553-L565 PolarHBondContact N-O 3.21Å; L553-L565 PolarHBondContact O-N 3.17Å; L553-F568 HydrophobicContact CD1-CE2 4.23Å; L553-F568 HydrophobicContact CG-CE2 4.44Å; L553-I649 HydrophobicContact CD1-CD1 4.23Å; L553-Y651 HydrophobicContact CD1-CD2 3.69Å; L553-Y651 HydrophobicContact CD1-CE2 3.91Å; L553-Y651 HydrophobicContact CD1-CG 4.36Å; L553-Y651 HydrophobicContact CD2-CD2 4.25Å; L553-Y651 HydrophobicContact CD2-CE2 3.78Å; L553-L750 HydrophobicContact CD1-CD1 3.51Å
554	A	82.6	Confident	84.4	Confident	35 Å²	35	65.5 Å²	65.5	29%	0.289	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.5	174.7	0	0	0	0	0	110	F79 Y556 R562	F79-A554 HydrophobicContact CE1-CB 4.18Å; F79-A554 HydrophobicContact CZ-CB 4.15Å; A554-Y556 HydrophobicContact CB-CE2 4.31Å; A554-R562 HydrophobicContact CB-CG 4.49Å
555	S	81.9	Confident	84.4	Confident	55 Å²	55	62.2 Å²	62.2	39%	0.385	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.3	167.9	-174.9	0	0	0	0	109.5	N563	S555-N563 PolarHBondContact N-O 3.27Å; S555-N563 PolarHBondContact O-N 3.33Å; S555-N563 VanDerWaalsContact O-O 3.09Å
556	Y	83.2	Confident	84.7	Confident	146 Å²	146	62.3 Å²	62.3	57%	0.573	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.2	178.1	-66.6	-89.2	0	0	0	109.2	A554 R562	A554-Y556 HydrophobicContact CB-CE2 4.31Å; Y556-R562 HydrophobicContact CD1-CB 4.14Å; Y556-R562 HydrophobicContact CD1-CG 4.25Å; Y556-R562 HydrophobicContact CE1-CB 4.01Å; Y556-R562 HydrophobicContact CE1-CG 3.86Å
557	N	82.7	Confident	84.9	Confident	60 Å²	60	59.7 Å²	59.7	32%	0.321	33%	0.33	S	S	.	.			trans	-75	163.8	173.2	-62.4	-34.3	0	0	0	110.3	D559 G560 T561 N563	N557-D559 PolarHBondContact O-N 3.19Å; N557-D559 VanDerWaalsContact O-N 3.14Å; N557-G560 PolarHBondContact O-N 2.88Å; N557-T561 WeakPolarHBondContact CB-OG1 3.46Å; N557-T561 PolarHBondContact N-O 2.89Å; N557-T561 PolarHBondContact ND2-OG1 3.32Å; N557-N563 PolarHBondContact ND2-ND2 2.98Å; N557-N563 VanDerWaalsContact ND2-ND2 3.11Å; N557-N563 PolarHBondContact ND2-OD1 3.43Å
558	H	83.8	Confident	85.3	Confident	203 Å²	203	59.7 Å²	59.7	94%	0.94	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.4	176.9	-72.1	-68.8	0	0	0	113.5	G560	H558-G560 PolarHBondContact O-N 2.83Å
559	D	86.9	Confident	86	Confident	148 Å²	148	58.8 Å²	58.8	79%	0.791	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	0.3	178.9	-55.6	-29	0	0	0	113.3	N557 T561	N557-D559 PolarHBondContact O-N 3.19Å; N557-D559 VanDerWaalsContact O-N 3.14Å; D559-T561 PolarHBondContact O-N 3.14Å
560	G	85.1	Confident	86.6	Confident	56 Å²	56	62.5 Å²	62.5	58%	0.577	33%	0.331	S	S	*	.	S	Bend	trans	80.2	-0.7	-175.6	0	0	0	0	0	114.3	N557 H558	N557-G560 PolarHBondContact O-N 2.88Å; H558-G560 PolarHBondContact O-N 2.83Å
561	T	87.3	Confident	87.4	Confident	72 Å²	72	60.8 Å²	60.8	44%	0.442	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-67.9	136.7	172.1	54.1	0	0	0	0	110.4	N557 D559	N557-T561 WeakPolarHBondContact CB-OG1 3.46Å; N557-T561 PolarHBondContact N-O 2.89Å; N557-T561 PolarHBondContact ND2-OG1 3.32Å; D559-T561 PolarHBondContact O-N 3.14Å
562	R	83.2	Confident	88.1	Confident	74 Å²	74	60.8 Å²	60.8	28%	0.279	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.2	-175.9	-177	-175.2	176.2	-160.1	0.6	109.8	R78 F79 A554 Y556	R78-R562 PolarHBondContact O-NH1 3.49Å; R78-R562 PolarHBondContact O-NH2 3.03Å; F79-R562 VanDerWaalsContact CG-NH2 3.33Å; A554-R562 HydrophobicContact CB-CG 4.49Å; Y556-R562 HydrophobicContact CD1-CB 4.14Å; Y556-R562 HydrophobicContact CD1-CG 4.25Å; Y556-R562 HydrophobicContact CE1-CB 4.01Å; Y556-R562 HydrophobicContact CE1-CG 3.86Å
563	N	85.8	Confident	88.7	Confident	79 Å²	79	66.6 Å²	66.6	42%	0.422	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.8	172.9	-71.7	-5.6	0	0	0	109.1	S555 N557	S555-N563 PolarHBondContact N-O 3.27Å; S555-N563 PolarHBondContact O-N 3.33Å; S555-N563 VanDerWaalsContact O-O 3.09Å; N557-N563 PolarHBondContact ND2-ND2 2.98Å; N557-N563 VanDerWaalsContact ND2-ND2 3.11Å; N557-N563 PolarHBondContact ND2-OD1 3.43Å
564	I	86.6	Confident	89.4	Confident	89 Å²	89	67.6 Å²	67.6	46%	0.456	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.4	-177.3	-63.9	-178.8	0	0	0	107.8	V552	V552-I564 HydrophobicContact CG1-CB 4.45Å; V552-I564 HydrophobicContact CG1-CG2 3.06Å
565	L	88.7	Confident	90.1	Very high	24 Å²	24	65.9 Å²	65.9	13%	0.126	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122	175.3	-50.7	174.8	0	0	0	108.4	L553 I649 H748	L553-L565 HydrophobicContact CB-CB 4.21Å; L553-L565 PolarHBondContact N-O 3.21Å; L553-L565 PolarHBondContact O-N 3.17Å; L565-I649 HydrophobicContact CD1-CD1 3.9Å; L565-I649 HydrophobicContact CD1-CG2 4.34Å; L565-H748 WeakPolarHBondContact CD2-NE2 3.46Å
566	D	92.1	Very high	90.8	Very high	48 Å²	48	68.8 Å²	68.8	26%	0.257	33%	0.331	S	S	.	.			trans	-127.8	32.8	-171.8	-164.7	25.1	0	0	0	113	F568 R569 E570	D566-F568 PolarHBondContact O-N 2.89Å; D566-R569 VanDerWaalsContact CG-NH2 3.35Å; D566-R569 PolarHBondContact O-N 3.36Å; D566-R569 WeakPolarHBondContact OD1-CB 3.47Å; D566-R569 VanDerWaalsContact OD1-CG 3.25Å; D566-R569 WeakPolarHBondContact OD1-CG 3.31Å; D566-R569 IonicContact OD1-CZ 2.66Å; D566-R569 IonicContact OD1-NE 3.73Å; D566-R569 PolarHBondContact OD1-NE 3.29Å; D566-R569 IonicContact OD1-NH2 3.8Å; D566-R569 IonicContact OD2-CZ 2.73Å; D566-R569 IonicContact OD2-NE 2.86Å; D566-R569 PolarHBondContact OD2-NE 3.46Å; D566-R569 IonicContact OD2-NH2 3.68Å; D566-R569 PolarHBondContact OD2-NH2 2.9Å; D566-E570 PolarHBondContact O-N 3.15Å; D566-E570 VanDerWaalsContact O-N 3.11Å
567	D	94.1	Very high	91.4	Very high	2 Å²	2	67.6 Å²	67.6	1%	0.011	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-31.2	-177.6	-64.8	-81	0	0	0	113.3	A571 S746 E747 H748 L750	D567-A571 VanDerWaalsContact O-CB 3.31Å; D567-A571 WeakPolarHBondContact O-CB 3.29Å; D567-A571 PolarHBondContact O-N 2.98Å; D567-S746 WeakPolarHBondContact CB-OG 3.24Å; D567-S746 VanDerWaalsContact CG-OG 3.31Å; D567-S746 VanDerWaalsContact OD1-CB 3.26Å; D567-S746 WeakPolarHBondContact OD1-CB 3.4Å; D567-S746 PolarHBondContact OD1-OG 3.26Å; D567-E747 PolarHBondContact OD1-N 3.2Å; D567-H748 IonicContact OD1-CG 2.93Å; D567-H748 PolarHBondContact OD1-N 3.06Å; D567-H748 IonicContact OD1-ND1 3.9Å; D567-H748 PolarHBondContact OD1-ND1 3.18Å; D567-H748 IonicContact OD2-CG 3.36Å; D567-H748 IonicContact OD2-ND1 3.8Å; D567-H748 PolarHBondContact OD2-ND1 3.14Å; D567-L750 HydrophobicContact CB-CB 3.59Å; D567-L750 HydrophobicContact CB-CD1 4.26Å; D567-L750 HydrophobicContact CB-CG 4.33Å
568	F	93.9	Very high	92.2	Very high	3 Å²	3	69.4 Å²	69.4	1%	0.013	34%	0.341	C	S	.	.	H	α-helix	trans	-63	-52.8	177.4	-72.8	-77.7	0	0	0	111.4	V551 L553 D566 E570 A571 Y572 I644 L750 V751	V551-F568 WeakPolarHBondContact O-CD2 3.23Å; L553-F568 HydrophobicContact CD1-CE2 4.23Å; L553-F568 HydrophobicContact CG-CE2 4.44Å; D566-F568 PolarHBondContact O-N 2.89Å; F568-E570 VanDerWaalsContact C-N 3.33Å; F568-E570 PolarHBondContact O-N 3.35Å; F568-A571 PolarHBondContact O-N 3.42Å; F568-Y572 HydrophobicContact CB-CD2 4.36Å; F568-Y572 HydrophobicContact CB-CE2 4.06Å; F568-Y572 HydrophobicContact CD1-CE2 4.23Å; F568-Y572 WeakPolarHBondContact O-CB 3.36Å; F568-Y572 WeakPolarHBondContact O-CD2 3.35Å; F568-Y572 PolarHBondContact O-N 2.9Å; F568-I644 HydrophobicContact CD1-CD1 4.39Å; F568-I644 HydrophobicContact CE1-CD1 3.57Å; F568-I644 HydrophobicContact CE1-CG1 3.99Å; F568-I644 HydrophobicContact CZ-CD1 4.45Å; F568-L750 HydrophobicContact CD1-CD2 4.24Å; F568-L750 HydrophobicContact CD2-CD2 4.04Å; F568-L750 HydrophobicContact CE1-CD2 3.76Å; F568-L750 HydrophobicContact CE2-CD1 4.15Å; F568-L750 HydrophobicContact CE2-CD2 3.53Å; F568-L750 HydrophobicContact CG-CD2 4.37Å; F568-L750 HydrophobicContact CZ-CD2 3.38Å; F568-V751 HydrophobicContact CD1-CG2 3.95Å; F568-V751 HydrophobicContact CE1-CG2 4.35Å; F568-V751 HydrophobicContact CG-CG2 4.44Å
569	R	93.7	Very high	92.8	Very high	61 Å²	61	60.4 Å²	60.4	23%	0.23	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-39.6	-179.5	-64.9	-167.6	-67.9	180	2.4	110.5	E80 V551 D566 A571 Y572 Y573 M598	E80-R569 IonicContact OE1-NH1 2.68Å; E80-R569 IonicContact OE1-NH2 3.57Å; E80-R569 IonicContact OE2-CZ 3.27Å; E80-R569 IonicContact OE2-NH1 3.69Å; E80-R569 PolarHBondContact OE2-NH1 3.08Å; E80-R569 IonicContact OE2-NH2 2.83Å; V551-R569 HydrophobicContact CG1-CG 3.62Å; D566-R569 VanDerWaalsContact CG-NH2 3.35Å; D566-R569 PolarHBondContact O-N 3.36Å; D566-R569 WeakPolarHBondContact OD1-CB 3.47Å; D566-R569 VanDerWaalsContact OD1-CG 3.25Å; D566-R569 WeakPolarHBondContact OD1-CG 3.31Å; D566-R569 IonicContact OD1-CZ 2.66Å; D566-R569 IonicContact OD1-NE 3.73Å; D566-R569 PolarHBondContact OD1-NE 3.29Å; D566-R569 IonicContact OD1-NH2 3.8Å; D566-R569 IonicContact OD2-CZ 2.73Å; D566-R569 IonicContact OD2-NE 2.86Å; D566-R569 PolarHBondContact OD2-NE 3.46Å; D566-R569 IonicContact OD2-NH2 3.68Å; D566-R569 PolarHBondContact OD2-NH2 2.9Å; R569-A571 PolarHBondContact O-N 3.1Å; R569-Y572 PolarHBondContact O-N 2.88Å; R569-Y573 WeakPolarHBondContact O-CB 3.37Å; R569-Y573 PolarHBondContact O-N 3.18Å; R569-M598 HydrophobicContact CG-SD 4.18Å
570	E	96.4	Very high	93.3	Very high	80 Å²	80	58.8 Å²	58.8	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-53.9	-54.5	174.6	-171.9	-165.4	178.6	0	0	111.4	D566 F568 Y573 W574 F744 E747	D566-E570 PolarHBondContact O-N 3.15Å; D566-E570 VanDerWaalsContact O-N 3.11Å; F568-E570 VanDerWaalsContact C-N 3.33Å; F568-E570 PolarHBondContact O-N 3.35Å; E570-Y573 PolarHBondContact O-N 3.03Å; E570-W574 PolarHBondContact O-N 3.16Å; E570-F744 HydrophobicContact CG-CZ 4Å; E570-E747 PolarHBondContact OE2-N 3.2Å
571	A	96.8	Very high	93.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.2	-43	-177.6	0	0	0	0	0	112.8	D567 F568 R569 Y573 W574 L575 F744 V751 I753	D567-A571 VanDerWaalsContact O-CB 3.31Å; D567-A571 WeakPolarHBondContact O-CB 3.29Å; D567-A571 PolarHBondContact O-N 2.98Å; F568-A571 PolarHBondContact O-N 3.42Å; R569-A571 PolarHBondContact O-N 3.1Å; A571-Y573 VanDerWaalsContact C-N 3.3Å; A571-Y573 PolarHBondContact O-N 3.33Å; A571-W574 PolarHBondContact O-N 2.85Å; A571-L575 WeakPolarHBondContact O-CB 3.48Å; A571-L575 PolarHBondContact O-N 2.92Å; A571-F744 HydrophobicContact CB-CD1 4.2Å; A571-F744 HydrophobicContact CB-CE1 3.77Å; A571-V751 HydrophobicContact CB-CB 3.57Å; A571-V751 HydrophobicContact CB-CG1 3.49Å; A571-V751 VanDerWaalsContact CB-CG1 3.49Å; A571-V751 HydrophobicContact CB-CG2 4.08Å; A571-I753 HydrophobicContact CB-CD1 4.3Å
572	Y	96.5	Very high	94.1	Very high	1 Å²	1	64.5 Å²	64.5	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-34.9	176.6	-65.2	-37.1	0	0	0	112.1	F568 R569 L575 R576 Q594 I595 M598 A599 L642	F568-Y572 HydrophobicContact CB-CD2 4.36Å; F568-Y572 HydrophobicContact CB-CE2 4.06Å; F568-Y572 HydrophobicContact CD1-CE2 4.23Å; F568-Y572 WeakPolarHBondContact O-CB 3.36Å; F568-Y572 WeakPolarHBondContact O-CD2 3.35Å; F568-Y572 PolarHBondContact O-N 2.9Å; R569-Y572 PolarHBondContact O-N 2.88Å; Y572-L575 PolarHBondContact O-N 3.07Å; Y572-R576 WeakPolarHBondContact O-CB 3.38Å; Y572-R576 PolarHBondContact O-N 3.35Å; Y572-Q594 HydrophobicContact CE2-CB 4.12Å; Y572-Q594 PolarHBondContact OH-OE1 2.95Å; Y572-I595 HydrophobicContact CD1-CG1 4.22Å; Y572-I595 HydrophobicContact CE1-CG1 3.62Å; Y572-M598 HydrophobicContact CD2-CB 4.12Å; Y572-M598 HydrophobicContact CD2-CG 4.43Å; Y572-M598 HydrophobicContact CD2-SD 3.55Å; Y572-M598 VanDerWaalsContact CD2-SD 3.55Å; Y572-M598 HydrophobicContact CE2-SD 4.14Å; Y572-M598 HydrophobicContact CG-CB 4.29Å; Y572-A599 HydrophobicContact CD1-CB 4.39Å; Y572-A599 WeakPolarHBondContact O-CA 3.37Å; Y572-A599 WeakPolarHBondContact O-CB 3.42Å; Y572-L642 HydrophobicContact CD1-CD1 4.12Å; Y572-L642 HydrophobicContact CE1-CD1 3.77Å
573	Y	97.1	Very high	94.7	Very high	130 Å²	130	61.1 Å²	61.1	51%	0.51	29%	0.286	S	S	.	.	H	α-helix	trans	-72.7	-39.3	177.9	-159	-102.8	0	0	0	112.2	R569 E570 A571 L575 R576 Q577	R569-Y573 WeakPolarHBondContact O-CB 3.37Å; R569-Y573 PolarHBondContact O-N 3.18Å; E570-Y573 PolarHBondContact O-N 3.03Å; A571-Y573 VanDerWaalsContact C-N 3.3Å; A571-Y573 PolarHBondContact O-N 3.33Å; Y573-L575 VanDerWaalsContact C-N 3.3Å; Y573-L575 PolarHBondContact O-N 3.38Å; Y573-R576 WeakPolarHBondContact O-CB 3.39Å; Y573-R576 PolarHBondContact O-N 2.86Å; Y573-R576 VanDerWaalsContact O-N 3.17Å; Y573-Q577 HydrophobicContact CD1-CG 4.28Å; Y573-Q577 HydrophobicContact CE1-CG 4.03Å; Y573-Q577 PolarHBondContact O-N 3.1Å; Y573-Q577 PolarHBondContact OH-NE2 3.14Å
574	W	97.9	Very high	95.2	Very high	53 Å²	53	60.8 Å²	60.8	20%	0.201	28%	0.279	C	S	.	.	H	α-helix	trans	-56.9	-46.6	169.2	180	92.3	0	0	0	110.8	E570 A571 R576 Q577 N578 T579 Y640 A743 F744 I753	E570-W574 PolarHBondContact O-N 3.16Å; A571-W574 PolarHBondContact O-N 2.85Å; W574-R576 PolarHBondContact O-N 2.8Å; W574-Q577 PolarHBondContact O-N 3.35Å; W574-N578 HydrophobicContact CD2-CB 4.23Å; W574-N578 HydrophobicContact CG-CB 4.42Å; W574-N578 HydrophobicContact CZ2-CB 4.32Å; W574-N578 VanDerWaalsContact O-CB 3.28Å; W574-N578 WeakPolarHBondContact O-CB 3.49Å; W574-N578 PolarHBondContact O-N 3.35Å; W574-T579 HydrophobicContact CH2-CG2 4.41Å; W574-T579 HydrophobicContact CZ3-CG2 4.04Å; W574-Y640 HydrophobicContact CH2-CE1 4.31Å; W574-A743 HydrophobicContact CH2-CB 3.84Å; W574-F744 HydrophobicContact CB-CD2 4.31Å; W574-F744 HydrophobicContact CB-CE2 4.29Å; W574-F744 HydrophobicContact CB-CG 4.47Å; W574-F744 HydrophobicContact CB-CZ 4.45Å; W574-F744 AromaticContact CD1-CD2 3.55Å; W574-F744 AromaticContact CD1-CE2 3.91Å; W574-F744 HydrophobicContact CD2-CB 3.74Å; W574-F744 AromaticContact CD2-CD2 3.93Å; W574-F744 HydrophobicContact CD2-CD2 3.93Å; W574-F744 AromaticContact CD2-CG 3.81Å; W574-F744 HydrophobicContact CD2-CG 3.81Å; W574-F744 AromaticContact CE2-CD2 3.99Å; W574-F744 HydrophobicContact CE3-CB 3.81Å; W574-F744 HydrophobicContact CE3-CG 4.17Å; W574-F744 HydrophobicContact CG-CB 4.38Å; W574-F744 AromaticContact CG-CD2 3.68Å; W574-F744 HydrophobicContact CG-CD2 3.68Å; W574-F744 HydrophobicContact CG-CE2 4.07Å; W574-F744 AromaticContact CG-CG 3.93Å; W574-F744 HydrophobicContact CG-CG 3.93Å; W574-F744 HydrophobicContact CH2-CB 4.01Å; W574-F744 HydrophobicContact CZ2-CB 3.91Å; W574-F744 HydrophobicContact CZ3-CB 3.96Å; W574-F744 AromaticContact NE1-CD2 3.72Å; W574-I753 HydrophobicContact CE3-CD1 3.7Å; W574-I753 HydrophobicContact CZ3-CB 4.44Å; W574-I753 HydrophobicContact CZ3-CD1 3.98Å; W574-I753 HydrophobicContact CZ3-CG2 4.07Å
575	L	97.4	Very high	95.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-35.9	178.8	-163.1	69.2	0	0	0	111.5	A571 Y572 Y573 T579 V585 I595 A599 R601 Y640 L642 I753	A571-L575 WeakPolarHBondContact O-CB 3.48Å; A571-L575 PolarHBondContact O-N 2.92Å; Y572-L575 PolarHBondContact O-N 3.07Å; Y573-L575 VanDerWaalsContact C-N 3.3Å; Y573-L575 PolarHBondContact O-N 3.38Å; L575-T579 HydrophobicContact CD1-CG2 3.69Å; L575-T579 HydrophobicContact CG-CG2 4.42Å; L575-T579 PolarHBondContact O-OG1 3Å; L575-V585 HydrophobicContact CD1-CG2 4.26Å; L575-V585 HydrophobicContact CD2-CG1 4.13Å; L575-V585 HydrophobicContact CD2-CG2 3.7Å; L575-V585 HydrophobicContact CG-CG2 4.29Å; L575-I595 HydrophobicContact CD2-CG2 4.41Å; L575-A599 HydrophobicContact CB-CB 4.14Å; L575-A599 HydrophobicContact CD2-CB 3.9Å; L575-A599 HydrophobicContact CG-CB 4.36Å; L575-R601 HydrophobicContact CG-CG 4.34Å; L575-R601 PolarHBondContact O-NH2 2.97Å; L575-Y640 HydrophobicContact CD1-CG 4.46Å; L575-L642 HydrophobicContact CD2-CD1 4.46Å; L575-I753 HydrophobicContact CB-CD1 4.39Å; L575-I753 HydrophobicContact CD1-CD1 4.22Å; L575-I753 HydrophobicContact CD1-CG2 4.24Å
576	R	96.9	Very high	96.2	Very high	115 Å²	115	55.4 Å²	55.4	43%	0.434	25%	0.251	S	S	.	.	H	α-helix	trans	-68.9	-38.4	177.5	-174.1	170.8	176.6	166.4	-2.9	114.3	Y572 Y573 W574 M598 A599 R601	Y572-R576 WeakPolarHBondContact O-CB 3.38Å; Y572-R576 PolarHBondContact O-N 3.35Å; Y573-R576 WeakPolarHBondContact O-CB 3.39Å; Y573-R576 PolarHBondContact O-N 2.86Å; Y573-R576 VanDerWaalsContact O-N 3.17Å; W574-R576 PolarHBondContact O-N 2.8Å; R576-M598 WeakPolarHBondContact CD-O 3.4Å; R576-M598 PolarHBondContact NH1-O 3.22Å; R576-A599 WeakPolarHBondContact CA-O 3.41Å; R576-A599 VanDerWaalsContact CB-O 3.28Å; R576-A599 WeakPolarHBondContact CB-O 3.33Å; R576-A599 WeakPolarHBondContact CG-O 3.34Å; R576-R601 PolarHBondContact O-NH1 3.35Å; R576-R601 PolarHBondContact O-NH2 3.24Å
577	Q	97.3	Very high	96.4	Very high	121 Å²	121	53.3 Å²	53.3	57%	0.565	24%	0.24	S	C	*	.	H	α-helix	trans	-99	-25.6	-172	-65.7	-159.8	-17.2	0	0	114	Y573 W574	Y573-Q577 HydrophobicContact CD1-CG 4.28Å; Y573-Q577 HydrophobicContact CE1-CG 4.03Å; Y573-Q577 PolarHBondContact O-N 3.1Å; Y573-Q577 PolarHBondContact OH-NE2 3.14Å; W574-Q577 PolarHBondContact O-N 3.35Å
578	N	97.6	Very high	96.5	Very high	99 Å²	99	53.5 Å²	53.5	53%	0.529	24%	0.24	S	C	.	.	H	α-helix	trans	-110.2	-0.6	-168.5	-63.7	51	0	0	0	113.8	W574	W574-N578 HydrophobicContact CD2-CB 4.23Å; W574-N578 HydrophobicContact CG-CB 4.42Å; W574-N578 HydrophobicContact CZ2-CB 4.32Å; W574-N578 VanDerWaalsContact O-CB 3.28Å; W574-N578 WeakPolarHBondContact O-CB 3.49Å; W574-N578 PolarHBondContact O-N 3.35Å
579	T	97.2	Very high	96.5	Very high	14 Å²	14	54.4 Å²	54.4	9%	0.086	24%	0.244	C	C	.	.	S	Bend	trans	-113.8	161.4	176.7	73	0	0	0	0	111.8	W574 L575 R601 Y640	W574-T579 HydrophobicContact CH2-CG2 4.41Å; W574-T579 HydrophobicContact CZ3-CG2 4.04Å; L575-T579 HydrophobicContact CD1-CG2 3.69Å; L575-T579 HydrophobicContact CG-CG2 4.42Å; L575-T579 PolarHBondContact O-OG1 3Å; T579-R601 PolarHBondContact O-NH2 3.49Å; T579-R601 PolarHBondContact OG1-NE 2.95Å; T579-R601 PolarHBondContact OG1-NH2 2.75Å; T579-Y640 HydrophobicContact CG2-CD2 4.32Å; T579-Y640 HydrophobicContact CG2-CE1 4.18Å; T579-Y640 HydrophobicContact CG2-CE2 3.71Å
580	D	96.8	Very high	96.4	Very high	113 Å²	113	52.7 Å²	52.7	60%	0.604	24%	0.239	S	C	*	.			trans	-60.2	148	173.3	-166.1	-2	0	0	0	111.1	H582 A583 R601	D580-H582 PolarHBondContact O-N 3.47Å; D580-A583 HydrophobicContact CB-CB 4.39Å; D580-A583 WeakPolarHBondContact O-CB 3.21Å; D580-A583 PolarHBondContact O-N 3.19Å; D580-A583 VanDerWaalsContact O-N 3.07Å; D580-R601 WeakPolarHBondContact O-CD 3.24Å; D580-R601 PolarHBondContact O-NE 3.43Å
581	E	94.1	Very high	96.2	Very high	138 Å²	138	49 Å²	49	65%	0.645	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-30.8	-178.2	-66.2	-169.4	173.8	0	0	112.2
582	H	95.5	Very high	96.1	Very high	111 Å²	111	49 Å²	49	51%	0.514	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	12.2	178.1	-59.9	-63.9	0	0	0	113.8	D580 R584	D580-H582 PolarHBondContact O-N 3.47Å; H582-R584 VanDerWaalsContact O-CD 3.25Å; H582-R584 WeakPolarHBondContact O-CD 3.44Å; H582-R584 PolarHBondContact O-N 3.13Å; H582-R584 PolarHBondContact O-NE 3.01Å
583	A	96.6	Very high	96	Very high	2 Å²	2	50 Å²	50	2%	0.017	23%	0.225	C	C	.	.			trans	-62.6	134.9	177.3	0	0	0	0	0	111.1	D580 T602 Y640	D580-A583 HydrophobicContact CB-CB 4.39Å; D580-A583 WeakPolarHBondContact O-CB 3.21Å; D580-A583 PolarHBondContact O-N 3.19Å; D580-A583 VanDerWaalsContact O-N 3.07Å; A583-T602 PolarHBondContact O-N 3.3Å; A583-Y640 HydrophobicContact CB-CD2 4.02Å; A583-Y640 HydrophobicContact CB-CE2 3.93Å
584	R	97	Very high	95.9	Very high	73 Å²	73	43.9 Å²	43.9	28%	0.275	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.8	179.5	-57.7	87.8	176.9	179.3	0.7	110.8	Y116 H582 T602 L604 D637 D639 Y640	Y116-R584 HydrophobicContact CD1-CG 4.32Å; Y116-R584 HydrophobicContact CG-CG 4.41Å; H582-R584 VanDerWaalsContact O-CD 3.25Å; H582-R584 WeakPolarHBondContact O-CD 3.44Å; H582-R584 PolarHBondContact O-N 3.13Å; H582-R584 PolarHBondContact O-NE 3.01Å; R584-T602 WeakPolarHBondContact CA-O 3.43Å; R584-T602 HydrophobicContact CG-CG2 4.21Å; R584-L604 HydrophobicContact CB-CD1 3.97Å; R584-D637 WeakPolarHBondContact CD-O 3.4Å; R584-D639 WeakPolarHBondContact CD-OD2 3.4Å; R584-D639 PolarHBondContact N-OD2 2.93Å; R584-D639 IonicContact NH1-OD2 3.25Å; R584-D639 PolarHBondContact NH1-OD2 3.31Å; R584-D639 PolarHBondContact O-N 3.48Å; R584-D639 VanDerWaalsContact O-N 3.15Å; R584-Y640 PolarHBondContact O-N 3Å
585	V	97.5	Very high	95.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.9	-174.2	-174	0	0	0	0	108.8	L575 I595 R601 T602 Y640 L642	L575-V585 HydrophobicContact CD1-CG2 4.26Å; L575-V585 HydrophobicContact CD2-CG1 4.13Å; L575-V585 HydrophobicContact CD2-CG2 3.7Å; L575-V585 HydrophobicContact CG-CG2 4.29Å; V585-I595 HydrophobicContact CB-CG2 4.42Å; V585-I595 HydrophobicContact CG1-CD1 4.36Å; V585-I595 HydrophobicContact CG1-CG2 4.47Å; V585-R601 HydrophobicContact CG2-CB 3.94Å; V585-T602 PolarHBondContact N-O 3.13Å; V585-Y640 WeakPolarHBondContact CA-O 3.32Å; V585-L642 HydrophobicContact CG1-CB 4.02Å
586	M	97.4	Very high	95.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.9	171.6	-174	177.1	71.5	0	0	109.5	L604 V618 A621 M622 M633 V638 Y640 V641 L642	M586-L604 HydrophobicContact CB-CD2 4.39Å; M586-L604 HydrophobicContact CG-CD2 4.4Å; M586-V618 HydrophobicContact CG-CG1 4.01Å; M586-V618 HydrophobicContact CG-CG2 4.36Å; M586-V618 HydrophobicContact SD-CG1 4.31Å; M586-V618 HydrophobicContact SD-CG2 4.47Å; M586-A621 HydrophobicContact CE-CB 4.35Å; M586-A621 HydrophobicContact SD-CB 4.22Å; M586-M622 HydrophobicContact CE-CE 3.87Å; M586-M622 HydrophobicContact CE-SD 4.18Å; M586-M622 HydrophobicContact CG-CE 4.16Å; M586-M633 HydrophobicContact CE-CG 3.65Å; M586-M633 HydrophobicContact CE-SD 3.61Å; M586-M633 HydrophobicContact SD-CG 4.12Å; M586-V638 HydrophobicContact CB-CG1 3.64Å; M586-V638 HydrophobicContact CB-CG2 4.09Å; M586-V638 HydrophobicContact SD-CG2 4.29Å; M586-Y640 PolarHBondContact N-O 2.91Å; M586-V641 HydrophobicContact CE-CB 4.47Å; M586-V641 HydrophobicContact CE-CG1 3.81Å; M586-V641 HydrophobicContact CE-CG2 3.83Å; M586-V641 WeakPolarHBondContact O-CA 3.27Å; M586-L642 PolarHBondContact O-N 3.39Å
587	S	96.6	Very high	95.3	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.021	18%	0.184	C	C	.	.			trans	-143.7	172.2	174.8	66.1	0	0	0	0	109.7	I595	S587-I595 WeakPolarHBondContact OG-CD1 3.41Å
588	W	96.2	Very high	95.1	Very high	6 Å²	6	32.5 Å²	32.5	2%	0.023	16%	0.163	C	C	.	.			trans	-65.3	157.5	165.4	-165.4	-120.1	0	0	0	111.5	D590 Y591 I615 M662 I665	W588-D590 VanDerWaalsContact C-N 3.33Å; W588-D590 VanDerWaalsContact CD1-CG 3.45Å; W588-D590 PolarHBondContact NE1-OD1 3.3Å; W588-D590 PolarHBondContact O-N 2.74Å; W588-Y591 HydrophobicContact CB-CD2 4.26Å; W588-Y591 HydrophobicContact CB-CE2 4.31Å; W588-Y591 PolarHBondContact O-N 2.95Å; W588-I615 HydrophobicContact CH2-CG2 4.1Å; W588-I615 HydrophobicContact CZ3-CG2 4.24Å; W588-M662 HydrophobicContact CB-CE 3.99Å; W588-M662 HydrophobicContact CD2-CE 3.72Å; W588-M662 HydrophobicContact CD2-CG 3.96Å; W588-M662 HydrophobicContact CD2-SD 4.22Å; W588-M662 HydrophobicContact CE3-CB 4.47Å; W588-M662 HydrophobicContact CE3-CE 4.02Å; W588-M662 HydrophobicContact CE3-CG 3.72Å; W588-M662 HydrophobicContact CE3-SD 3.91Å; W588-M662 HydrophobicContact CG-CE 3.72Å; W588-M662 HydrophobicContact CH2-CB 3.94Å; W588-M662 HydrophobicContact CH2-CG 3.69Å; W588-M662 HydrophobicContact CZ2-CG 3.87Å; W588-M662 HydrophobicContact CZ3-CB 3.92Å; W588-M662 HydrophobicContact CZ3-CG 3.6Å; W588-M662 HydrophobicContact CZ3-SD 4.29Å; W588-I665 HydrophobicContact CH2-CD1 3.75Å; W588-I665 HydrophobicContact CZ2-CD1 3.8Å
589	W	94.3	Very high	95	Very high	23 Å²	23	27.8 Å²	27.8	9%	0.087	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-64.9	-32.3	-169.7	61.4	-95.4	0	0	0	113.6	V387 Y591 G592 V605 D606 N607 T609	V387-W589 HydrophobicContact CG2-CH2 4.06Å; W589-Y591 PolarHBondContact O-N 3.27Å; W589-G592 PolarHBondContact O-N 3.36Å; W589-V605 HydrophobicContact CB-CG1 3.49Å; W589-V605 VanDerWaalsContact CB-CG1 3.49Å; W589-D606 CarbonylContact O-C 3.56Å; W589-N607 WeakPolarHBondContact CZ3-OD1 3.39Å; W589-N607 WeakPolarHBondContact O-CA 3.48Å; W589-N607 PolarHBondContact O-N 2.89Å; W589-T609 HydrophobicContact CD2-CG2 4.02Å; W589-T609 HydrophobicContact CE3-CG2 3.86Å; W589-T609 HydrophobicContact CG-CG2 4.43Å; W589-T609 HydrophobicContact CZ3-CG2 4.33Å
590	D	90.6	Very high	94.9	Very high	25 Å²	25	29.7 Å²	29.7	13%	0.134	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-50.9	-36	178.5	-51.5	-9.1	0	0	0	113.1	F86 W588 K658	F86-D590 WeakPolarHBondContact CD1-O 3.19Å; W588-D590 VanDerWaalsContact C-N 3.33Å; W588-D590 VanDerWaalsContact CD1-CG 3.45Å; W588-D590 PolarHBondContact NE1-OD1 3.3Å; W588-D590 PolarHBondContact O-N 2.74Å; D590-K658 VanDerWaalsContact OD2-CD 3.29Å; D590-K658 WeakPolarHBondContact OD2-CD 3.04Å; D590-K658 IonicContact OD2-NZ 3.88Å; D590-K658 PolarHBondContact OD2-NZ 2.82Å
591	Y	93.8	Very high	94.8	Very high	3 Å²	3	25.1 Å²	25.1	1%	0.012	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-95.3	-5.1	-170	-50.1	-61.1	0	0	0	113.8	F86 W588 W589 Y593 Q594 I595 I644 D655 K658	F86-Y591 HydrophobicContact CD1-CD1 4.26Å; F86-Y591 AromaticContact CE1-CD1 3.71Å; F86-Y591 HydrophobicContact CE1-CD1 3.71Å; F86-Y591 AromaticContact CE1-CE1 3.8Å; F86-Y591 HydrophobicContact CE1-CE1 3.8Å; F86-Y591 HydrophobicContact CZ-CE1 4.21Å; W588-Y591 HydrophobicContact CB-CD2 4.26Å; W588-Y591 HydrophobicContact CB-CE2 4.31Å; W588-Y591 PolarHBondContact O-N 2.95Å; W589-Y591 PolarHBondContact O-N 3.27Å; Y591-Y593 PolarHBondContact O-N 3.32Å; Y591-Q594 PolarHBondContact O-N 3.27Å; Y591-Q594 VanDerWaalsContact O-N 3.09Å; Y591-I595 WeakPolarHBondContact O-CG1 3.34Å; Y591-I595 PolarHBondContact O-N 3.07Å; Y591-I644 HydrophobicContact CD1-CD1 3.68Å; Y591-I644 HydrophobicContact CD2-CD1 3.85Å; Y591-I644 HydrophobicContact CE1-CD1 3.26Å; Y591-I644 HydrophobicContact CE2-CD1 3.43Å; Y591-I644 VanDerWaalsContact CE2-CD1 3.43Å; Y591-I644 HydrophobicContact CG-CD1 3.95Å; Y591-I644 WeakPolarHBondContact OH-CD1 3.49Å; Y591-D655 WeakPolarHBondContact CE2-OD1 3.31Å; Y591-K658 PolarHBondContact OH-NZ 3.45Å
592	G	93.9	Very high	95	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-56	-47.2	-171.7	0	0	0	0	0	113.2	W589 Q594 I595 A596 D606	W589-G592 PolarHBondContact O-N 3.36Å; G592-Q594 PolarHBondContact O-N 3.5Å; G592-I595 PolarHBondContact O-N 2.83Å; G592-A596 WeakPolarHBondContact O-CB 3.31Å; G592-A596 PolarHBondContact O-N 3.29Å; G592-D606 WeakPolarHBondContact CA-OD1 3.2Å
593	Y	94.8	Very high	95	Very high	20 Å²	20	14 Å²	14	8%	0.078	7%	0.07	C	C	.	.	H	α-helix	trans	-65	-37.9	177.9	-70.6	-23.4	0	0	0	113.1	F90 R120 Y591 G597 D606 N607 N608	F90-Y593 HydrophobicContact CB-CD1 3.55Å; F90-Y593 HydrophobicContact CB-CD2 3.73Å; F90-Y593 HydrophobicContact CB-CE1 3.52Å; F90-Y593 HydrophobicContact CB-CE2 3.69Å; F90-Y593 HydrophobicContact CB-CG 3.66Å; F90-Y593 HydrophobicContact CD1-CE1 4.43Å; F90-Y593 HydrophobicContact CD2-CD1 4.12Å; F90-Y593 AromaticContact CD2-CE1 3.65Å; F90-Y593 HydrophobicContact CD2-CE1 3.65Å; F90-Y593 HydrophobicContact CE2-CE1 4.5Å; F90-Y593 HydrophobicContact CG-CD1 4.09Å; F90-Y593 AromaticContact CG-CE1 3.61Å; F90-Y593 HydrophobicContact CG-CE1 3.61Å; F90-Y593 HydrophobicContact CG-CE2 4.27Å; F90-Y593 AromaticContact CG-CZ 3.71Å; R120-Y593 PolarHBondContact NH1-OH 3.14Å; R120-Y593 VanDerWaalsContact NH1-OH 3.14Å; Y591-Y593 PolarHBondContact O-N 3.32Å; Y593-G597 PolarHBondContact O-N 2.86Å; Y593-D606 WeakPolarHBondContact CD1-OD1 3.41Å; Y593-D606 VanDerWaalsContact CD1-OD2 3.32Å; Y593-D606 WeakPolarHBondContact CD1-OD2 3.26Å; Y593-D606 VanDerWaalsContact CE1-OD1 3.31Å; Y593-D606 WeakPolarHBondContact CE1-OD1 3.41Å; Y593-D606 WeakPolarHBondContact CE1-OD2 3.34Å; Y593-D606 PolarHBondContact N-OD1 3.38Å; Y593-N607 HydrophobicContact CD1-CB 4.28Å; Y593-N607 HydrophobicContact CD2-CB 3.35Å; Y593-N607 HydrophobicContact CE1-CB 4.33Å; Y593-N607 HydrophobicContact CE2-CB 3.45Å; Y593-N607 VanDerWaalsContact CE2-CB 3.45Å; Y593-N607 HydrophobicContact CG-CB 3.81Å; Y593-N608 VanDerWaalsContact OH-CB 3.29Å; Y593-N608 WeakPolarHBondContact OH-CB 3.12Å
594	Q	93.8	Very high	94.9	Very high	3 Å²	3	13.9 Å²	13.9	1%	0.014	7%	0.07	C	C	.	.	H	α-helix	trans	-68.3	-41.3	178	-74.8	-173.4	-12.7	0	0	111.7	E85 F86 W89 Y572 Y591 G592 G597 M598	E85-Q594 PolarHBondContact O-NE2 2.85Å; F86-Q594 HydrophobicContact CD1-CG 3.93Å; W89-Q594 HydrophobicContact CG-CG 4.28Å; Y572-Q594 HydrophobicContact CE2-CB 4.12Å; Y572-Q594 PolarHBondContact OH-OE1 2.95Å; Y591-Q594 PolarHBondContact O-N 3.27Å; Y591-Q594 VanDerWaalsContact O-N 3.09Å; G592-Q594 PolarHBondContact O-N 3.5Å; Q594-G597 PolarHBondContact O-N 3.49Å; Q594-M598 WeakPolarHBondContact O-CB 3.29Å; Q594-M598 PolarHBondContact O-N 2.84Å
595	I	95.5	Very high	94.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-64.3	-48.2	176.5	-65.2	165.6	0	0	0	109.9	Y572 L575 V585 S587 Y591 G592 G597 A599 N600 T603 L642	Y572-I595 HydrophobicContact CD1-CG1 4.22Å; Y572-I595 HydrophobicContact CE1-CG1 3.62Å; L575-I595 HydrophobicContact CD2-CG2 4.41Å; V585-I595 HydrophobicContact CB-CG2 4.42Å; V585-I595 HydrophobicContact CG1-CD1 4.36Å; V585-I595 HydrophobicContact CG1-CG2 4.47Å; S587-I595 WeakPolarHBondContact OG-CD1 3.41Å; Y591-I595 WeakPolarHBondContact O-CG1 3.34Å; Y591-I595 PolarHBondContact O-N 3.07Å; G592-I595 PolarHBondContact O-N 2.83Å; I595-G597 VanDerWaalsContact C-N 3.29Å; I595-G597 PolarHBondContact O-N 3.11Å; I595-A599 HydrophobicContact CG2-CB 4.19Å; I595-A599 CarbonylContact O-C 3.03Å; I595-A599 WeakPolarHBondContact O-CA 3.41Å; I595-A599 VanDerWaalsContact O-CB 3.27Å; I595-A599 WeakPolarHBondContact O-CB 3.43Å; I595-A599 PolarHBondContact O-N 2.9Å; I595-N600 PolarHBondContact O-N 2.96Å; I595-T603 HydrophobicContact CB-CG2 3.79Å; I595-T603 HydrophobicContact CG2-CG2 3.58Å; I595-L642 HydrophobicContact CD1-CD1 4.41Å
596	A	93.4	Very high	94.5	Very high	5 Å²	5	10.6 Å²	10.6	4%	0.041	6%	0.058	C	C	.	.	I	π-helix	trans	-64.5	-33.9	178.4	0	0	0	0	0	112.6	G592	G592-A596 WeakPolarHBondContact O-CB 3.31Å; G592-A596 PolarHBondContact O-N 3.29Å
597	G	90.8	Very high	94.2	Very high	21 Å²	21	11.6 Å²	11.6	22%	0.216	6%	0.063	C	C	.	.	I	π-helix	trans	-78.8	-50.7	179.9	0	0	0	0	0	114.3	Y593 Q594 I595	Y593-G597 PolarHBondContact O-N 2.86Å; Q594-G597 PolarHBondContact O-N 3.49Å; I595-G597 VanDerWaalsContact C-N 3.29Å; I595-G597 PolarHBondContact O-N 3.11Å
598	M	93.3	Very high	93.8	Very high	24 Å²	24	13.9 Å²	13.9	12%	0.118	8%	0.075	C	C	.	.	I	π-helix	trans	-89.4	-52.6	-175.7	-64.5	-169.6	-170.9	0	0	112.7	W89 V551 R569 Y572 R576 Q594 N600	W89-M598 HydrophobicContact CD2-CE 4.36Å; W89-M598 HydrophobicContact CD2-CG 4.47Å; W89-M598 VanDerWaalsContact CE2-CE 3.46Å; W89-M598 HydrophobicContact CE3-CG 4.21Å; W89-M598 HydrophobicContact CH2-CE 3.6Å; W89-M598 HydrophobicContact CH2-CG 3.87Å; W89-M598 HydrophobicContact CH2-SD 4.49Å; W89-M598 HydrophobicContact CZ2-CE 3.05Å; W89-M598 HydrophobicContact CZ2-CG 4.18Å; W89-M598 HydrophobicContact CZ2-SD 4.41Å; W89-M598 HydrophobicContact CZ3-CE 4.43Å; W89-M598 HydrophobicContact CZ3-CG 3.88Å; V551-M598 HydrophobicContact CB-CE 4.32Å; V551-M598 HydrophobicContact CG1-CE 3.59Å; V551-M598 HydrophobicContact CG2-CE 3.69Å; R569-M598 HydrophobicContact CG-SD 4.18Å; Y572-M598 HydrophobicContact CD2-CB 4.12Å; Y572-M598 HydrophobicContact CD2-CG 4.43Å; Y572-M598 HydrophobicContact CD2-SD 3.55Å; Y572-M598 VanDerWaalsContact CD2-SD 3.55Å; Y572-M598 HydrophobicContact CE2-SD 4.14Å; Y572-M598 HydrophobicContact CG-CB 4.29Å; R576-M598 WeakPolarHBondContact CD-O 3.4Å; R576-M598 PolarHBondContact NH1-O 3.22Å; Q594-M598 WeakPolarHBondContact O-CB 3.29Å; Q594-M598 PolarHBondContact O-N 2.84Å; M598-N600 VanDerWaalsContact C-N 3.34Å
599	A	95.2	Very high	93.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	I	π-helix	trans	-78	-22.4	-176.6	0	0	0	0	0	112.4	Y572 L575 R576 I595 R601	Y572-A599 HydrophobicContact CD1-CB 4.39Å; Y572-A599 WeakPolarHBondContact O-CA 3.37Å; Y572-A599 WeakPolarHBondContact O-CB 3.42Å; L575-A599 HydrophobicContact CB-CB 4.14Å; L575-A599 HydrophobicContact CD2-CB 3.9Å; L575-A599 HydrophobicContact CG-CB 4.36Å; R576-A599 WeakPolarHBondContact CA-O 3.41Å; R576-A599 VanDerWaalsContact CB-O 3.28Å; R576-A599 WeakPolarHBondContact CB-O 3.33Å; R576-A599 WeakPolarHBondContact CG-O 3.34Å; I595-A599 HydrophobicContact CG2-CB 4.19Å; I595-A599 CarbonylContact O-C 3.03Å; I595-A599 WeakPolarHBondContact O-CA 3.41Å; I595-A599 VanDerWaalsContact O-CB 3.27Å; I595-A599 WeakPolarHBondContact O-CB 3.43Å; I595-A599 PolarHBondContact O-N 2.9Å; A599-R601 PolarHBondContact O-N 3.3Å; A599-R601 PolarHBondContact O-NH1 2.94Å
600	N	95.5	Very high	93.2	Very high	53 Å²	53	20.6 Å²	20.6	28%	0.283	11%	0.106	S	C	.	.			trans	51.4	55.2	-178.7	-169.1	21.5	0	0	0	111.3	R113 I595 M598	R113-N600 PolarHBondContact NH1-OD1 3.41Å; I595-N600 PolarHBondContact O-N 2.96Å; M598-N600 VanDerWaalsContact C-N 3.34Å
601	R	96.1	Very high	93.2	Very high	17 Å²	17	21.2 Å²	21.2	6%	0.064	11%	0.109	C	C	.	.			trans	-130.6	160.7	176.6	-72.1	-59.4	-178.4	-78	1.3	111.2	L575 R576 T579 D580 V585 A599	L575-R601 HydrophobicContact CG-CG 4.34Å; L575-R601 PolarHBondContact O-NH2 2.97Å; R576-R601 PolarHBondContact O-NH1 3.35Å; R576-R601 PolarHBondContact O-NH2 3.24Å; T579-R601 PolarHBondContact O-NH2 3.49Å; T579-R601 PolarHBondContact OG1-NE 2.95Å; T579-R601 PolarHBondContact OG1-NH2 2.75Å; D580-R601 WeakPolarHBondContact O-CD 3.24Å; D580-R601 PolarHBondContact O-NE 3.43Å; V585-R601 HydrophobicContact CG2-CB 3.94Å; A599-R601 PolarHBondContact O-N 3.3Å; A599-R601 PolarHBondContact O-NH1 2.94Å
602	T	96.8	Very high	93.1	Very high	15 Å²	15	23.9 Å²	23.9	9%	0.092	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.4	-176.2	-59.5	0	0	0	0	110.9	R113 Y116 A583 R584 V585	R113-T602 VanDerWaalsContact O-CA 3.23Å; R113-T602 WeakPolarHBondContact O-CA 3.44Å; Y116-T602 HydrophobicContact CD2-CG2 4.45Å; Y116-T602 HydrophobicContact CG-CG2 4.34Å; A583-T602 PolarHBondContact O-N 3.3Å; R584-T602 WeakPolarHBondContact CA-O 3.43Å; R584-T602 HydrophobicContact CG-CG2 4.21Å; V585-T602 PolarHBondContact N-O 3.13Å
603	T	96.4	Very high	93	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	144.4	178.1	58	0	0	0	0	111.6	R113 W115 Y116 I595	R113-T603 PolarHBondContact O-N 3.27Å; W115-T603 PolarHBondContact N-O 3.3Å; W115-T603 VanDerWaalsContact N-O 3.09Å; Y116-T603 PolarHBondContact N-O 3.09Å; I595-T603 HydrophobicContact CB-CG2 3.79Å; I595-T603 HydrophobicContact CG2-CG2 3.58Å
604	L	95.2	Very high	93	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.139	C	C	.	.	S	Bend	trans	-80.3	-39.5	177.5	-85.6	70.9	0	0	0	112.4	W115 R584 M586 H614 L636 V638	W115-L604 WeakPolarHBondContact CA-O 3.4Å; R584-L604 HydrophobicContact CB-CD1 3.97Å; M586-L604 HydrophobicContact CB-CD2 4.39Å; M586-L604 HydrophobicContact CG-CD2 4.4Å; L604-H614 PolarHBondContact O-CD2 3.01Å; L604-H614 PolarHBondContact O-NE2 3.02Å; L604-L636 HydrophobicContact CD2-CB 3.84Å; L604-L636 HydrophobicContact CD2-CD1 3.96Å; L604-L636 HydrophobicContact CD2-CG 4.49Å; L604-V638 HydrophobicContact CD1-CG2 4.19Å; L604-V638 HydrophobicContact CD2-CG2 3.38Å; L604-V638 HydrophobicContact CG-CG2 4.43Å
605	V	94.5	Very high	93.1	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	14%	0.139	C	C	.	.	S	Bend	trans	-130.2	148.3	-178.6	175.5	0	0	0	0	107.7	W115 W589 I615 V618	W115-V605 HydrophobicContact CH2-CG1 4.25Å; W115-V605 HydrophobicContact CZ2-CG1 4.48Å; W589-V605 HydrophobicContact CB-CG1 3.49Å; W589-V605 VanDerWaalsContact CB-CG1 3.49Å; V605-I615 HydrophobicContact CG1-CG1 3.68Å; V605-V618 HydrophobicContact CB-CG2 4.5Å; V605-V618 HydrophobicContact CG2-CB 4.14Å; V605-V618 HydrophobicContact CG2-CG2 3.44Å; V605-V618 VanDerWaalsContact CG2-CG2 3.44Å
606	D	90.4	Very high	93	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.139	C	C	.	.			trans	-131.4	169.3	-174.5	-151.6	3.7	0	0	0	112.2	W115 W589 G592 Y593 N608	W115-D606 HydrophobicContact CZ2-CB 4.17Å; W589-D606 CarbonylContact O-C 3.56Å; G592-D606 WeakPolarHBondContact CA-OD1 3.2Å; Y593-D606 WeakPolarHBondContact CD1-OD1 3.41Å; Y593-D606 VanDerWaalsContact CD1-OD2 3.32Å; Y593-D606 WeakPolarHBondContact CD1-OD2 3.26Å; Y593-D606 VanDerWaalsContact CE1-OD1 3.31Å; Y593-D606 WeakPolarHBondContact CE1-OD1 3.41Å; Y593-D606 WeakPolarHBondContact CE1-OD2 3.34Å; Y593-D606 PolarHBondContact N-OD1 3.38Å; D606-N608 PolarHBondContact O-N 2.86Å
607	N	90.3	Very high	93.1	Very high	21 Å²	21	28.2 Å²	28.2	11%	0.112	15%	0.15	C	C	.	.	S	Bend	trans	-66.7	-26.2	-175.3	-148.6	9.4	0	0	0	112.7	D87 W589 Y593 T609	D87-N607 PolarHBondContact OD1-ND2 3.37Å; W589-N607 WeakPolarHBondContact CZ3-OD1 3.39Å; W589-N607 WeakPolarHBondContact O-CA 3.48Å; W589-N607 PolarHBondContact O-N 2.89Å; Y593-N607 HydrophobicContact CD1-CB 4.28Å; Y593-N607 HydrophobicContact CD2-CB 3.35Å; Y593-N607 HydrophobicContact CE1-CB 4.33Å; Y593-N607 HydrophobicContact CE2-CB 3.45Å; Y593-N607 VanDerWaalsContact CE2-CB 3.45Å; Y593-N607 HydrophobicContact CG-CB 3.81Å; N607-T609 PolarHBondContact O-N 2.97Å
608	N	89.1	Confident	93.4	Very high	50 Å²	50	27.2 Å²	27.2	27%	0.267	14%	0.14	S	C	.	.	S	Bend	trans	-77.8	99.3	172.3	178.5	33	0	0	0	111.3	W115 R120 Y593 D606 W610	W115-N608 WeakPolarHBondContact CZ2-O 3.18Å; R120-N608 VanDerWaalsContact CZ-ND2 3.3Å; R120-N608 VanDerWaalsContact NH1-CB 3.34Å; R120-N608 PolarHBondContact NH2-ND2 3.31Å; R120-N608 VanDerWaalsContact NH2-ND2 3.19Å; Y593-N608 VanDerWaalsContact OH-CB 3.29Å; Y593-N608 WeakPolarHBondContact OH-CB 3.12Å; D606-N608 PolarHBondContact O-N 2.86Å; N608-W610 VanDerWaalsContact C-N 3.26Å; N608-W610 PolarHBondContact O-N 3.42Å
609	T	88.8	Confident	93.5	Very high	47 Å²	47	26.1 Å²	26.1	29%	0.288	14%	0.135	S	C	.	.			trans	-78.1	58.4	-173.5	54.2	0	0	0	0	114.3	I383 W589 N607 I615	I383-T609 HydrophobicContact CG2-CG2 4.03Å; W589-T609 HydrophobicContact CD2-CG2 4.02Å; W589-T609 HydrophobicContact CE3-CG2 3.86Å; W589-T609 HydrophobicContact CG-CG2 4.43Å; W589-T609 HydrophobicContact CZ3-CG2 4.33Å; N607-T609 PolarHBondContact O-N 2.97Å; T609-I615 HydrophobicContact CG2-CD1 3.61Å
610	W	88.5	Confident	93.5	Very high	124 Å²	124	27.9 Å²	27.9	47%	0.47	14%	0.142	S	C	.	.			trans	-81.8	-23.2	-177.9	71	-90.3	0	0	0	114.3	W115 L118 N608	W115-W610 HydrophobicContact CB-CZ2 4.5Å; W115-W610 AromaticContact CD1-NE1 3.51Å; W115-W610 AromaticContact CD2-CE2 3.82Å; W115-W610 HydrophobicContact CD2-CZ2 4.07Å; W115-W610 AromaticContact CD2-NE1 3.18Å; W115-W610 AromaticContact CE2-CD1 3.54Å; W115-W610 AromaticContact CE2-NE1 3.12Å; W115-W610 AromaticContact CE3-CE2 4Å; W115-W610 HydrophobicContact CE3-CZ2 4.04Å; W115-W610 AromaticContact CE3-NE1 3.77Å; W115-W610 HydrophobicContact CG-CZ2 4.24Å; W115-W610 AromaticContact CG-NE1 3.5Å; W115-W610 AromaticContact CZ2-CD1 3.76Å; W115-W610 AromaticContact CZ2-NE1 3.75Å; W115-W610 AromaticContact NE1-CD1 3.65Å; W115-W610 AromaticContact NE1-NE1 3.23Å; L118-W610 HydrophobicContact CD2-CH2 3.79Å; L118-W610 HydrophobicContact CD2-CZ2 4.36Å; N608-W610 VanDerWaalsContact C-N 3.26Å; N608-W610 PolarHBondContact O-N 3.42Å
611	N	92.1	Very high	93.5	Very high	38 Å²	38	25.3 Å²	25.3	20%	0.203	13%	0.129	C	C	.	.			trans	-124.9	99.7	177.1	-176.8	-10.9	0	0	0	111.2	W115 S613 H614 I615	W115-N611 HydrophobicContact CE3-CB 4.43Å; W115-N611 HydrophobicContact CH2-CB 4.37Å; W115-N611 HydrophobicContact CZ3-CB 3.79Å; N611-S613 PolarHBondContact OD1-N 3.33Å; N611-H614 HydrophobicContact CB-CB 4.45Å; N611-H614 PolarHBondContact OD1-N 2.82Å; N611-I615 WeakPolarHBondContact O-CG1 3.41Å; N611-I615 PolarHBondContact O-N 3.23Å
612	N	90.6	Very high	93.6	Very high	58 Å²	58	24.6 Å²	24.6	31%	0.31	13%	0.126	S	C	.	.	H	α-helix	trans	-68.5	-38	-175.1	-63	-19.1	0	0	0	113	I383 H614 I615 A616	I383-N612 HydrophobicContact CD1-CB 3.72Å; I383-N612 VanDerWaalsContact CD1-CG 3.44Å; I383-N612 WeakPolarHBondContact CD1-OD1 3.21Å; N612-H614 VanDerWaalsContact C-N 3.28Å; N612-H614 PolarHBondContact O-N 3.4Å; N612-I615 PolarHBondContact O-N 2.86Å; N612-A616 WeakPolarHBondContact O-CB 3.48Å; N612-A616 PolarHBondContact O-N 3.19Å
613	S	92.8	Very high	93.5	Very high	51 Å²	51	24 Å²	24	36%	0.357	12%	0.122	S	C	.	.	H	α-helix	trans	-65.1	-34.3	-178.1	-50.7	0	0	0	0	111.7	N611 A616 L617 E669	N611-S613 PolarHBondContact OD1-N 3.33Å; S613-A616 WeakPolarHBondContact O-CB 3.34Å; S613-A616 PolarHBondContact O-N 2.87Å; S613-L617 WeakPolarHBondContact O-CG 3.44Å; S613-L617 PolarHBondContact O-N 3.14Å; S613-E669 PolarHBondContact OG-OE2 2.76Å
614	H	94.4	Very high	93.5	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.056	13%	0.128	C	C	.	.	H	α-helix	trans	-70.5	-37.1	175.5	-159.5	66.3	0	0	0	112.4	W115 Y116 L604 N611 N612 A616 L617 V618	W115-H614 AromaticContact CE3-CD2 3.8Å; W115-H614 HydrophobicContact CZ3-CB 3.96Å; W115-H614 AromaticContact CZ3-CD2 3.87Å; Y116-H614 PolarHBondContact O-NE2 3.25Å; L604-H614 PolarHBondContact O-CD2 3.01Å; L604-H614 PolarHBondContact O-NE2 3.02Å; N611-H614 HydrophobicContact CB-CB 4.45Å; N611-H614 PolarHBondContact OD1-N 2.82Å; N612-H614 VanDerWaalsContact C-N 3.28Å; N612-H614 PolarHBondContact O-N 3.4Å; H614-A616 VanDerWaalsContact C-N 3.32Å; H614-L617 WeakPolarHBondContact O-CB 3.49Å; H614-L617 PolarHBondContact O-N 3.4Å; H614-V618 PolarHBondContact O-N 3.2Å
615	I	95	Very high	93.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-41.6	171.5	-58.3	166.9	0	0	0	110	W115 I383 W588 V605 T609 N611 N612 L617 V618 G619 I665	W115-I615 HydrophobicContact CH2-CD1 4.19Å; W115-I615 HydrophobicContact CH2-CG1 3.97Å; I383-I615 HydrophobicContact CD1-CD1 4.28Å; W588-I615 HydrophobicContact CH2-CG2 4.1Å; W588-I615 HydrophobicContact CZ3-CG2 4.24Å; V605-I615 HydrophobicContact CG1-CG1 3.68Å; T609-I615 HydrophobicContact CG2-CD1 3.61Å; N611-I615 WeakPolarHBondContact O-CG1 3.41Å; N611-I615 PolarHBondContact O-N 3.23Å; N612-I615 PolarHBondContact O-N 2.86Å; I615-L617 VanDerWaalsContact C-N 3.3Å; I615-L617 PolarHBondContact O-N 3.39Å; I615-V618 PolarHBondContact O-N 2.8Å; I615-G619 PolarHBondContact O-N 3.43Å; I615-I665 HydrophobicContact CG2-CG2 4.17Å
616	A	94.4	Very high	93.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-35	176.8	0	0	0	0	0	112.3	N612 S613 H614 G619 K620 I665 E669	N612-A616 WeakPolarHBondContact O-CB 3.48Å; N612-A616 PolarHBondContact O-N 3.19Å; S613-A616 WeakPolarHBondContact O-CB 3.34Å; S613-A616 PolarHBondContact O-N 2.87Å; H614-A616 VanDerWaalsContact C-N 3.32Å; A616-G619 PolarHBondContact O-N 2.69Å; A616-K620 VanDerWaalsContact O-CB 3.23Å; A616-K620 WeakPolarHBondContact O-CB 3.47Å; A616-K620 PolarHBondContact O-N 2.92Å; A616-I665 HydrophobicContact CB-CG2 4.2Å; A616-E669 HydrophobicContact CB-CB 3.81Å; A616-E669 HydrophobicContact CB-CG 3.64Å
617	L	95.4	Very high	93.7	Very high	55 Å²	55	32.5 Å²	32.5	29%	0.288	17%	0.174	S	C	.	.	H	α-helix	trans	-63.1	-43.9	172.2	-73.6	174.1	0	0	0	112.3	S613 H614 I615 K620 A621	S613-L617 WeakPolarHBondContact O-CG 3.44Å; S613-L617 PolarHBondContact O-N 3.14Å; H614-L617 WeakPolarHBondContact O-CB 3.49Å; H614-L617 PolarHBondContact O-N 3.4Å; I615-L617 VanDerWaalsContact C-N 3.3Å; I615-L617 PolarHBondContact O-N 3.39Å; L617-K620 PolarHBondContact O-N 3.05Å; L617-A621 PolarHBondContact O-N 3.43Å
618	V	95.9	Very high	93.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-66.3	-43.3	174.6	173.4	0	0	0	0	111	M586 V605 H614 I615 K620 A621 M622	M586-V618 HydrophobicContact CG-CG1 4.01Å; M586-V618 HydrophobicContact CG-CG2 4.36Å; M586-V618 HydrophobicContact SD-CG1 4.31Å; M586-V618 HydrophobicContact SD-CG2 4.47Å; V605-V618 HydrophobicContact CB-CG2 4.5Å; V605-V618 HydrophobicContact CG2-CB 4.14Å; V605-V618 HydrophobicContact CG2-CG2 3.44Å; V605-V618 VanDerWaalsContact CG2-CG2 3.44Å; H614-V618 PolarHBondContact O-N 3.2Å; I615-V618 PolarHBondContact O-N 2.8Å; V618-K620 VanDerWaalsContact C-N 3.26Å; V618-K620 PolarHBondContact O-N 2.82Å; V618-A621 PolarHBondContact O-N 3.28Å; V618-M622 HydrophobicContact CG1-CG 4.32Å; V618-M622 VanDerWaalsContact O-CG 3.3Å; V618-M622 WeakPolarHBondContact O-CG 3.49Å; V618-M622 PolarHBondContact O-N 3.43Å
619	G	95.6	Very high	94.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.9	-40.2	173.9	0	0	0	0	0	112.2	I615 A616 M622 S623	I615-G619 PolarHBondContact O-N 3.43Å; A616-G619 PolarHBondContact O-N 2.69Å; G619-M622 PolarHBondContact O-N 3.09Å; G619-S623 WeakPolarHBondContact O-CB 3.48Å; G619-S623 PolarHBondContact O-N 2.84Å; G619-S623 PolarHBondContact O-OG 3.29Å
620	K	95.9	Very high	94.6	Very high	37 Å²	37	29.4 Å²	29.4	16%	0.161	16%	0.159	C	C	.	.	H	α-helix	trans	-66	-43.7	175.3	177.7	172.6	175.9	-178.7	0	112.1	A616 L617 V618 M622 S623 S624 I632 A666 H670 D673 I674	A616-K620 VanDerWaalsContact O-CB 3.23Å; A616-K620 WeakPolarHBondContact O-CB 3.47Å; A616-K620 PolarHBondContact O-N 2.92Å; L617-K620 PolarHBondContact O-N 3.05Å; V618-K620 VanDerWaalsContact C-N 3.26Å; V618-K620 PolarHBondContact O-N 2.82Å; K620-M622 VanDerWaalsContact C-N 3.33Å; K620-M622 PolarHBondContact O-N 3.21Å; K620-S623 PolarHBondContact O-N 2.8Å; K620-S624 VanDerWaalsContact O-CB 3.23Å; K620-S624 WeakPolarHBondContact O-CB 3.4Å; K620-S624 PolarHBondContact O-N 3.39Å; K620-S624 PolarHBondContact O-OG 3.5Å; K620-I632 HydrophobicContact CB-CD1 4.42Å; K620-I632 HydrophobicContact CD-CD1 4.06Å; K620-I632 HydrophobicContact CG-CD1 3.77Å; K620-A666 HydrophobicContact CB-CB 4.15Å; K620-H670 HydrophobicContact CD-CB 4.34Å; K620-D673 WeakPolarHBondContact CE-OD2 3.46Å; K620-D673 IonicContact NZ-OD2 2.64Å; K620-D673 PolarHBondContact NZ-OD2 3.24Å; K620-I674 HydrophobicContact CB-CD1 3.77Å; K620-I674 HydrophobicContact CG-CD1 3.64Å
621	A	96.2	Very high	94.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-43.1	174.6	0	0	0	0	0	111.6	M586 L617 V618 S623 A629 I632	M586-A621 HydrophobicContact CE-CB 4.35Å; M586-A621 HydrophobicContact SD-CB 4.22Å; L617-A621 PolarHBondContact O-N 3.43Å; V618-A621 PolarHBondContact O-N 3.28Å; A621-S623 PolarHBondContact O-N 2.99Å; A621-A629 WeakPolarHBondContact O-CB 3.21Å; A621-I632 HydrophobicContact CB-CB 4.23Å; A621-I632 HydrophobicContact CB-CD1 4.39Å; A621-I632 HydrophobicContact CB-CG2 3.96Å
622	M	96.3	Very high	95.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-69.8	-30.7	-179.4	-68.7	-62.4	-168.8	0	0	113.5	M586 V618 G619 K620 V641 M662 C699 M701 M704	M586-M622 HydrophobicContact CE-CE 3.87Å; M586-M622 HydrophobicContact CE-SD 4.18Å; M586-M622 HydrophobicContact CG-CE 4.16Å; V618-M622 HydrophobicContact CG1-CG 4.32Å; V618-M622 VanDerWaalsContact O-CG 3.3Å; V618-M622 WeakPolarHBondContact O-CG 3.49Å; V618-M622 PolarHBondContact O-N 3.43Å; G619-M622 PolarHBondContact O-N 3.09Å; K620-M622 VanDerWaalsContact C-N 3.33Å; K620-M622 PolarHBondContact O-N 3.21Å; M622-V641 HydrophobicContact CE-CG1 3.76Å; M622-V641 HydrophobicContact SD-CG1 4.32Å; M622-M662 HydrophobicContact CB-SD 3.99Å; M622-M662 HydrophobicContact CG-SD 4.36Å; M622-C699 PolarHBondContact O-SG 3.11Å; M622-M701 HydrophobicContact CB-CE 4.01Å; M622-M701 HydrophobicContact CG-CE 4.06Å; M622-M701 VanDerWaalsContact O-CB 3.29Å; M622-M701 WeakPolarHBondContact O-CB 3.34Å; M622-M701 PolarHBondContact O-N 2.88Å; M622-M701 HydrophobicContact SD-CE 3.71Å; M622-M704 HydrophobicContact SD-CE 3.67Å
623	S	96.2	Very high	95.4	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-97.5	-9.9	-176.7	56.5	0	0	0	0	115.1	G619 K620 A621 I674 Y679 C699	G619-S623 WeakPolarHBondContact O-CB 3.48Å; G619-S623 PolarHBondContact O-N 2.84Å; G619-S623 PolarHBondContact O-OG 3.29Å; K620-S623 PolarHBondContact O-N 2.8Å; A621-S623 PolarHBondContact O-N 2.99Å; S623-I674 WeakPolarHBondContact OG-CD1 3.41Å; S623-Y679 PolarHBondContact O-OH 2.87Å; S623-C699 VanDerWaalsContact C-SG 3.59Å; S623-C699 VanDerWaalsContact CA-SG 3.56Å; S623-C699 PolarHBondContact O-SG 2.83Å; S623-C699 VanDerWaalsContact O-SG 3.37Å
624	S	96.2	Very high	95.5	Very high	16 Å²	16	29 Å²	29	11%	0.112	15%	0.151	C	C	.	.	S	Bend	trans	-84.3	174	179.2	-63.2	0	0	0	0	113.4	K620 L700	K620-S624 VanDerWaalsContact O-CB 3.23Å; K620-S624 WeakPolarHBondContact O-CB 3.4Å; K620-S624 PolarHBondContact O-N 3.39Å; K620-S624 PolarHBondContact O-OG 3.5Å; S624-L700 WeakPolarHBondContact O-CB 3.39Å; S624-L700 PolarHBondContact O-N 2.76Å
625	N	95.5	Very high	95.5	Very high	87 Å²	87	32.6 Å²	32.6	47%	0.465	18%	0.177	S	C	.	.			trans	-67.8	165.7	167.4	71.1	17.8	0	0	0	111.6	S627 A628 A629	N625-S627 VanDerWaalsContact C-N 3.31Å; N625-S627 PolarHBondContact O-N 3.12Å; N625-S627 PolarHBondContact OD1-N 3.35Å; N625-A628 PolarHBondContact O-N 3.14Å; N625-A628 VanDerWaalsContact OD1-CB 3.31Å; N625-A628 WeakPolarHBondContact OD1-CB 3.49Å; N625-A628 PolarHBondContact OD1-N 3.36Å; N625-A629 VanDerWaalsContact O-CB 3.25Å; N625-A629 WeakPolarHBondContact O-CB 3.27Å; N625-A629 PolarHBondContact O-N 2.6Å
626	E	94.3	Very high	95.5	Very high	16 Å²	16	33.3 Å²	33.3	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-35.5	-174.6	-170.5	177.2	169.9	0	0	113.8	Y630 L700 K703 K738 H739	E626-Y630 WeakPolarHBondContact O-CB 3.38Å; E626-Y630 PolarHBondContact O-N 3.01Å; E626-L700 HydrophobicContact CB-CD1 4.29Å; E626-L700 HydrophobicContact CG-CD1 4.16Å; E626-K703 IonicContact OE2-NZ 2.88Å; E626-K703 PolarHBondContact OE2-NZ 3.49Å; E626-K738 WeakPolarHBondContact OE1-CA 3.49Å; E626-K738 PolarHBondContact OE1-N 3.45Å; E626-H739 HydrophobicContact CG-CB 4.45Å; E626-H739 PolarHBondContact OE1-N 3Å
627	S	93.7	Very high	95.6	Very high	66 Å²	66	36.5 Å²	36.5	46%	0.462	20%	0.198	S	C	.	.	H	α-helix	trans	-69	-51.3	-179.1	-54.8	0	0	0	0	112.3	N625 A629 Y630 E631	N625-S627 VanDerWaalsContact C-N 3.31Å; N625-S627 PolarHBondContact O-N 3.12Å; N625-S627 PolarHBondContact OD1-N 3.35Å; S627-A629 VanDerWaalsContact C-N 3.34Å; S627-A629 PolarHBondContact O-N 2.94Å; S627-Y630 PolarHBondContact O-N 3.34Å; S627-E631 PolarHBondContact O-N 3.16Å; S627-E631 VanDerWaalsContact O-N 3.14Å
628	A	94.9	Very high	95.6	Very high	36 Å²	36	34 Å²	34	30%	0.298	19%	0.185	S	C	.	.	H	α-helix	trans	-66.5	-38.8	179.6	0	0	0	0	0	111.4	N625 Y630 E631 I632	N625-A628 PolarHBondContact O-N 3.14Å; N625-A628 VanDerWaalsContact OD1-CB 3.31Å; N625-A628 WeakPolarHBondContact OD1-CB 3.49Å; N625-A628 PolarHBondContact OD1-N 3.36Å; A628-Y630 VanDerWaalsContact C-N 3.33Å; A628-Y630 PolarHBondContact O-N 2.79Å; A628-E631 PolarHBondContact O-N 3.25Å; A628-I632 WeakPolarHBondContact O-CG1 3.28Å; A628-I632 PolarHBondContact O-N 2.99Å
629	A	95.9	Very high	95.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-37.4	174.8	0	0	0	0	0	112.2	A621 N625 S627 I632 M633 L700	A621-A629 WeakPolarHBondContact O-CB 3.21Å; N625-A629 VanDerWaalsContact O-CB 3.25Å; N625-A629 WeakPolarHBondContact O-CB 3.27Å; N625-A629 PolarHBondContact O-N 2.6Å; S627-A629 VanDerWaalsContact C-N 3.34Å; S627-A629 PolarHBondContact O-N 2.94Å; A629-I632 PolarHBondContact O-N 3.19Å; A629-M633 HydrophobicContact CB-CE 4.29Å; A629-M633 WeakPolarHBondContact O-CB 3.34Å; A629-M633 WeakPolarHBondContact O-CG 3.41Å; A629-M633 PolarHBondContact O-N 3.45Å; A629-L700 HydrophobicContact CB-CB 4.33Å; A629-L700 HydrophobicContact CB-CD2 3.6Å; A629-L700 HydrophobicContact CB-CG 4.4Å
630	Y	96.3	Very high	95.8	Very high	16 Å²	16	37.9 Å²	37.9	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-39.9	176.1	-176.9	-109.9	0	0	0	112.4	E626 S627 A628 I632 M633 R634 H739 V756 K757 L759	E626-Y630 WeakPolarHBondContact O-CB 3.38Å; E626-Y630 PolarHBondContact O-N 3.01Å; S627-Y630 PolarHBondContact O-N 3.34Å; A628-Y630 VanDerWaalsContact C-N 3.33Å; A628-Y630 PolarHBondContact O-N 2.79Å; Y630-I632 VanDerWaalsContact C-N 3.33Å; Y630-I632 PolarHBondContact O-N 3.01Å; Y630-M633 PolarHBondContact O-N 3.48Å; Y630-R634 HydrophobicContact CD1-CG 4.13Å; Y630-R634 HydrophobicContact CD2-CG 4.23Å; Y630-R634 HydrophobicContact CE1-CG 3.8Å; Y630-R634 HydrophobicContact CE2-CG 3.94Å; Y630-R634 HydrophobicContact CG-CG 4.35Å; Y630-R634 WeakPolarHBondContact O-CB 3.39Å; Y630-R634 WeakPolarHBondContact O-CG 3.32Å; Y630-R634 PolarHBondContact O-N 3.4Å; Y630-H739 HydrophobicContact CD1-CB 4.4Å; Y630-H739 AromaticContact CD1-CG 3.96Å; Y630-H739 AromaticContact CD1-ND1 3.84Å; Y630-H739 HydrophobicContact CD2-CB 3.48Å; Y630-H739 VanDerWaalsContact CD2-CB 3.48Å; Y630-H739 AromaticContact CD2-CG 3.96Å; Y630-H739 AromaticContact CE1-ND1 3.77Å; Y630-H739 HydrophobicContact CE2-CB 3.81Å; Y630-H739 HydrophobicContact CG-CB 3.79Å; Y630-H739 AromaticContact CG-CG 3.78Å; Y630-H739 AromaticContact CZ-ND1 3.97Å; Y630-V756 HydrophobicContact CD2-CG1 3.93Å; Y630-V756 HydrophobicContact CE2-CG1 3.57Å; Y630-K757 WeakPolarHBondContact CE2-O 3.5Å; Y630-K757 PolarHBondContact OH-O 3.07Å; Y630-L759 HydrophobicContact CE1-CD2 4.24Å
631	E	95.6	Very high	95.9	Very high	142 Å²	142	36.1 Å²	36.1	66%	0.664	20%	0.196	S	C	*	.	H	α-helix	trans	-59.8	-43.4	174.2	-70	176.6	-172.3	0	0	112	S627 A628 R634 S635	S627-E631 PolarHBondContact O-N 3.16Å; S627-E631 VanDerWaalsContact O-N 3.14Å; A628-E631 PolarHBondContact O-N 3.25Å; E631-R634 PolarHBondContact O-N 3.18Å; E631-S635 PolarHBondContact O-N 3.09Å
632	I	95.8	Very high	96	Very high	24 Å²	24	36.1 Å²	36.1	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-67.6	-45	177	-61	167.8	0	0	0	111.2	K620 A621 A628 A629 Y630 R634 S635 L636	K620-I632 HydrophobicContact CB-CD1 4.42Å; K620-I632 HydrophobicContact CD-CD1 4.06Å; K620-I632 HydrophobicContact CG-CD1 3.77Å; A621-I632 HydrophobicContact CB-CB 4.23Å; A621-I632 HydrophobicContact CB-CD1 4.39Å; A621-I632 HydrophobicContact CB-CG2 3.96Å; A628-I632 WeakPolarHBondContact O-CG1 3.28Å; A628-I632 PolarHBondContact O-N 2.99Å; A629-I632 PolarHBondContact O-N 3.19Å; Y630-I632 VanDerWaalsContact C-N 3.33Å; Y630-I632 PolarHBondContact O-N 3.01Å; I632-R634 PolarHBondContact O-N 3.44Å; I632-S635 PolarHBondContact O-N 3.32Å; I632-S635 PolarHBondContact O-OG 2.74Å; I632-L636 HydrophobicContact CG2-CD1 3.98Å; I632-L636 WeakPolarHBondContact O-CG 3.44Å; I632-L636 PolarHBondContact O-N 3.46Å; I632-L636 VanDerWaalsContact O-N 3.13Å
633	M	96.3	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-35.5	176.6	-75.5	-174.1	-70.7	0	0	111.7	M586 A629 Y630 D637 V638 V641 L700 L740 V756	M586-M633 HydrophobicContact CE-CG 3.65Å; M586-M633 HydrophobicContact CE-SD 3.61Å; M586-M633 HydrophobicContact SD-CG 4.12Å; A629-M633 HydrophobicContact CB-CE 4.29Å; A629-M633 WeakPolarHBondContact O-CB 3.34Å; A629-M633 WeakPolarHBondContact O-CG 3.41Å; A629-M633 PolarHBondContact O-N 3.45Å; Y630-M633 PolarHBondContact O-N 3.48Å; M633-D637 PolarHBondContact O-N 3.3Å; M633-V638 HydrophobicContact CB-CB 4.08Å; M633-V638 HydrophobicContact CB-CG2 4.36Å; M633-V638 HydrophobicContact CG-CB 4.35Å; M633-V638 HydrophobicContact CG-CG2 4.45Å; M633-V638 WeakPolarHBondContact O-CB 3.42Å; M633-V638 PolarHBondContact O-N 3.37Å; M633-V641 HydrophobicContact SD-CG2 3.6Å; M633-V641 VanDerWaalsContact SD-CG2 3.6Å; M633-L700 HydrophobicContact CE-CD2 4.06Å; M633-L740 HydrophobicContact CE-CD2 4.21Å; M633-V756 HydrophobicContact SD-CG2 3.9Å
634	R	94.9	Very high	96	Very high	97 Å²	97	36 Å²	36	37%	0.366	20%	0.195	S	C	.	.	H	α-helix	trans	-74	-36.8	176.7	-73.2	-62.2	-57.1	157.5	8.6	113	Y630 E631 I632 L636 D637	Y630-R634 HydrophobicContact CD1-CG 4.13Å; Y630-R634 HydrophobicContact CD2-CG 4.23Å; Y630-R634 HydrophobicContact CE1-CG 3.8Å; Y630-R634 HydrophobicContact CE2-CG 3.94Å; Y630-R634 HydrophobicContact CG-CG 4.35Å; Y630-R634 WeakPolarHBondContact O-CB 3.39Å; Y630-R634 WeakPolarHBondContact O-CG 3.32Å; Y630-R634 PolarHBondContact O-N 3.4Å; E631-R634 PolarHBondContact O-N 3.18Å; I632-R634 PolarHBondContact O-N 3.44Å; R634-L636 PolarHBondContact O-N 3.11Å; R634-D637 PolarHBondContact O-N 3.14Å
635	S	94.9	Very high	96	Very high	88 Å²	88	35.2 Å²	35.2	62%	0.615	19%	0.19	S	C	*	.	H	α-helix	trans	-69.4	-24.1	176.7	68.4	0	0	0	0	112.8	E631 I632	E631-S635 PolarHBondContact O-N 3.09Å; I632-S635 PolarHBondContact O-N 3.32Å; I632-S635 PolarHBondContact O-OG 2.74Å
636	L	95.1	Very high	95.9	Very high	16 Å²	16	31 Å²	31	8%	0.084	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	10.9	176.7	-61.3	174.8	0	0	0	113.6	Y116 L604 I632 R634 V638	Y116-L636 VanDerWaalsContact CE1-O 3.27Å; Y116-L636 WeakPolarHBondContact CE1-O 3.47Å; L604-L636 HydrophobicContact CD2-CB 3.84Å; L604-L636 HydrophobicContact CD2-CD1 3.96Å; L604-L636 HydrophobicContact CD2-CG 4.49Å; I632-L636 HydrophobicContact CG2-CD1 3.98Å; I632-L636 WeakPolarHBondContact O-CG 3.44Å; I632-L636 PolarHBondContact O-N 3.46Å; I632-L636 VanDerWaalsContact O-N 3.13Å; R634-L636 PolarHBondContact O-N 3.11Å; L636-V638 VanDerWaalsContact C-N 3.28Å; L636-V638 HydrophobicContact CB-CG2 4.12Å; L636-V638 PolarHBondContact O-N 3.14Å
637	D	95.9	Very high	95.7	Very high	67 Å²	67	30.3 Å²	30.3	36%	0.358	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	43.1	-178.6	-64.4	-47.9	0	0	0	114.6	Y116 R584 M633 R634	Y116-D637 HydrophobicContact CE1-CB 4.09Å; Y116-D637 PolarHBondContact OH-OD2 3.26Å; R584-D637 WeakPolarHBondContact CD-O 3.4Å; M633-D637 PolarHBondContact O-N 3.3Å; R634-D637 PolarHBondContact O-N 3.14Å
638	V	96.8	Very high	95.5	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	15%	0.146	C	C	.	.			trans	-74.2	129.1	178.6	179.7	0	0	0	0	110.8	M586 L604 M633 L636 Y640 V641 V756	M586-V638 HydrophobicContact CB-CG1 3.64Å; M586-V638 HydrophobicContact CB-CG2 4.09Å; M586-V638 HydrophobicContact SD-CG2 4.29Å; L604-V638 HydrophobicContact CD1-CG2 4.19Å; L604-V638 HydrophobicContact CD2-CG2 3.38Å; L604-V638 HydrophobicContact CG-CG2 4.43Å; M633-V638 HydrophobicContact CB-CB 4.08Å; M633-V638 HydrophobicContact CB-CG2 4.36Å; M633-V638 HydrophobicContact CG-CB 4.35Å; M633-V638 HydrophobicContact CG-CG2 4.45Å; M633-V638 WeakPolarHBondContact O-CB 3.42Å; M633-V638 PolarHBondContact O-N 3.37Å; L636-V638 VanDerWaalsContact C-N 3.28Å; L636-V638 HydrophobicContact CB-CG2 4.12Å; L636-V638 PolarHBondContact O-N 3.14Å; V638-Y640 VanDerWaalsContact CG1-O 3.28Å; V638-Y640 WeakPolarHBondContact CG1-O 3.42Å; V638-V641 HydrophobicContact CG1-CG2 4.16Å; V638-V756 HydrophobicContact CG1-CG2 4.06Å; V638-V756 WeakPolarHBondContact O-CB 3.39Å
639	D	97.1	Very high	95.2	Very high	56 Å²	56	28.1 Å²	28.1	30%	0.299	14%	0.142	S	C	.	.			trans	-98.3	-42.3	175.9	-65.1	-55.5	0	0	0	112	R584 V756	R584-D639 WeakPolarHBondContact CD-OD2 3.4Å; R584-D639 PolarHBondContact N-OD2 2.93Å; R584-D639 IonicContact NH1-OD2 3.25Å; R584-D639 PolarHBondContact NH1-OD2 3.31Å; R584-D639 PolarHBondContact O-N 3.48Å; R584-D639 VanDerWaalsContact O-N 3.15Å; D639-V756 PolarHBondContact O-N 3.24Å
640	Y	98.1	Very high	94.9	Very high	26 Å²	26	29.9 Å²	29.9	10%	0.102	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.9	-177.3	-65.8	-85.8	0	0	0	111.8	W574 L575 T579 A583 R584 V585 M586 V638 A743 I753 Y754 K755	W574-Y640 HydrophobicContact CH2-CE1 4.31Å; L575-Y640 HydrophobicContact CD1-CG 4.46Å; T579-Y640 HydrophobicContact CG2-CD2 4.32Å; T579-Y640 HydrophobicContact CG2-CE1 4.18Å; T579-Y640 HydrophobicContact CG2-CE2 3.71Å; A583-Y640 HydrophobicContact CB-CD2 4.02Å; A583-Y640 HydrophobicContact CB-CE2 3.93Å; R584-Y640 PolarHBondContact O-N 3Å; V585-Y640 WeakPolarHBondContact CA-O 3.32Å; M586-Y640 PolarHBondContact N-O 2.91Å; V638-Y640 VanDerWaalsContact CG1-O 3.28Å; V638-Y640 WeakPolarHBondContact CG1-O 3.42Å; Y640-A743 HydrophobicContact CE1-CB 4.24Å; Y640-I753 HydrophobicContact CD1-CG2 3.91Å; Y640-I753 HydrophobicContact CG-CG2 4.48Å; Y640-Y754 CarbonylContact C-O 3.52Å; Y640-Y754 VanDerWaalsContact CA-O 3.27Å; Y640-Y754 WeakPolarHBondContact CA-O 3.37Å; Y640-K755 HydrophobicContact CD1-CB 4.12Å; Y640-K755 HydrophobicContact CD1-CG 4.38Å; Y640-K755 HydrophobicContact CE1-CB 3.98Å; Y640-K755 HydrophobicContact CE1-CD 4.18Å; Y640-K755 HydrophobicContact CE1-CG 4.02Å
641	V	97.9	Very high	94.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.2	173.4	-170.1	0	0	0	0	108.4	M586 M622 M633 V638 I643 M704 I753 Y754 V756	M586-V641 HydrophobicContact CE-CB 4.47Å; M586-V641 HydrophobicContact CE-CG1 3.81Å; M586-V641 HydrophobicContact CE-CG2 3.83Å; M586-V641 WeakPolarHBondContact O-CA 3.27Å; M622-V641 HydrophobicContact CE-CG1 3.76Å; M622-V641 HydrophobicContact SD-CG1 4.32Å; M633-V641 HydrophobicContact SD-CG2 3.6Å; M633-V641 VanDerWaalsContact SD-CG2 3.6Å; V638-V641 HydrophobicContact CG1-CG2 4.16Å; V641-I643 HydrophobicContact CG1-CG2 4.5Å; V641-M704 HydrophobicContact CB-SD 4.38Å; V641-M704 HydrophobicContact CG1-CE 4.07Å; V641-M704 HydrophobicContact CG1-SD 3.87Å; V641-I753 WeakPolarHBondContact O-CA 3.35Å; V641-Y754 PolarHBondContact N-O 3Å; V641-Y754 PolarHBondContact O-N 3.06Å; V641-V756 HydrophobicContact CG2-CG2 3.97Å
642	L	97.6	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.7	177.7	-174	154.8	0	0	0	109.2	Y572 L575 V585 M586 I595 I644 V751 I753	Y572-L642 HydrophobicContact CD1-CD1 4.12Å; Y572-L642 HydrophobicContact CE1-CD1 3.77Å; L575-L642 HydrophobicContact CD2-CD1 4.46Å; V585-L642 HydrophobicContact CG1-CB 4.02Å; M586-L642 PolarHBondContact O-N 3.39Å; I595-L642 HydrophobicContact CD1-CD1 4.41Å; L642-I644 HydrophobicContact CD2-CD1 4.38Å; L642-I644 HydrophobicContact CD2-CG1 4.41Å; L642-V751 HydrophobicContact CD1-CG1 4.04Å; L642-V751 HydrophobicContact CD2-CG1 4.02Å; L642-V751 HydrophobicContact CG-CG1 3.89Å; L642-I753 HydrophobicContact CD1-CD1 4.46Å; L642-I753 HydrophobicContact CD1-CG1 4.28Å; L642-I753 HydrophobicContact CG-CG1 4.33Å
643	I	97.1	Very high	93.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	152.8	173.8	56.8	151.9	0	0	0	111	V641 M701 M704 S705 R752 Y754	V641-I643 HydrophobicContact CG1-CG2 4.5Å; I643-M701 HydrophobicContact CB-SD 4.46Å; I643-M701 HydrophobicContact CG2-CE 4.04Å; I643-M701 HydrophobicContact CG2-SD 3.9Å; I643-M704 HydrophobicContact CD1-CB 3.56Å; I643-M704 HydrophobicContact CG1-CB 4.39Å; I643-M704 HydrophobicContact CG2-CE 3.9Å; I643-S705 VanDerWaalsContact CD1-CA 3.5Å; I643-S705 VanDerWaalsContact CD1-N 3.33Å; I643-S705 WeakPolarHBondContact CD1-OG 3.43Å; I643-R752 HydrophobicContact CD1-CB 4.37Å; I643-R752 HydrophobicContact CG1-CB 4.03Å; I643-R752 PolarHBondContact N-O 2.84Å; I643-R752 PolarHBondContact O-N 3.33Å; I643-Y754 HydrophobicContact CD1-CE2 3.99Å; I643-Y754 HydrophobicContact CG1-CD2 4.38Å; I643-Y754 HydrophobicContact CG1-CE2 4.05Å
644	I	96.2	Very high	93.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.1	175.1	-73.9	147.8	0	0	0	110.2	F568 Y591 L642 Y651 D654 D655 L750 V751	F568-I644 HydrophobicContact CD1-CD1 4.39Å; F568-I644 HydrophobicContact CE1-CD1 3.57Å; F568-I644 HydrophobicContact CE1-CG1 3.99Å; F568-I644 HydrophobicContact CZ-CD1 4.45Å; Y591-I644 HydrophobicContact CD1-CD1 3.68Å; Y591-I644 HydrophobicContact CD2-CD1 3.85Å; Y591-I644 HydrophobicContact CE1-CD1 3.26Å; Y591-I644 HydrophobicContact CE2-CD1 3.43Å; Y591-I644 VanDerWaalsContact CE2-CD1 3.43Å; Y591-I644 HydrophobicContact CG-CD1 3.95Å; Y591-I644 WeakPolarHBondContact OH-CD1 3.49Å; L642-I644 HydrophobicContact CD2-CD1 4.38Å; L642-I644 HydrophobicContact CD2-CG1 4.41Å; I644-Y651 HydrophobicContact CG2-CD1 4.44Å; I644-Y651 HydrophobicContact CG2-CE1 4.38Å; I644-D654 HydrophobicContact CG2-CB 4.41Å; I644-D655 PolarHBondContact N-OD2 3.39Å; I644-D655 PolarHBondContact O-N 3.34Å; I644-D655 VanDerWaalsContact O-N 3.07Å; I644-L750 CarbonylContact C-O 3.48Å; I644-L750 VanDerWaalsContact CA-O 3.32Å; I644-L750 WeakPolarHBondContact CA-O 3.4Å; I644-L750 HydrophobicContact CG2-CD2 3.96Å; I644-V751 HydrophobicContact CG1-CG2 4.19Å
645	F	96.1	Very high	93.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.156	C	C	.	.			trans	-124.1	111.1	-176.7	172.3	-119.2	0	0	0	110.5	V648 Y706 F709 W749 L750	F645-V648 HydrophobicContact CE1-CG2 4.2Å; F645-Y706 AromaticContact CE2-CD1 3.9Å; F645-Y706 HydrophobicContact CE2-CD1 3.9Å; F645-Y706 AromaticContact CE2-CE1 3.67Å; F645-Y706 HydrophobicContact CE2-CE1 3.67Å; F645-Y706 HydrophobicContact CZ-CD1 4.07Å; F645-Y706 HydrophobicContact CZ-CE1 4.09Å; F645-F709 AromaticContact CE1-CD2 3.72Å; F645-F709 HydrophobicContact CE1-CD2 3.72Å; F645-F709 AromaticContact CE1-CE2 3.77Å; F645-F709 HydrophobicContact CE1-CE2 3.77Å; F645-F709 HydrophobicContact CE1-CG 4.29Å; F645-F709 HydrophobicContact CE1-CZ 4.37Å; F645-F709 HydrophobicContact CZ-CD1 4.17Å; F645-F709 AromaticContact CZ-CD2 3.81Å; F645-F709 HydrophobicContact CZ-CD2 3.81Å; F645-F709 HydrophobicContact CZ-CE1 4.08Å; F645-F709 AromaticContact CZ-CE2 3.72Å; F645-F709 HydrophobicContact CZ-CE2 3.72Å; F645-F709 HydrophobicContact CZ-CG 4.04Å; F645-F709 AromaticContact CZ-CZ 3.86Å; F645-F709 HydrophobicContact CZ-CZ 3.86Å; F645-W749 HydrophobicContact CD1-CB 4.43Å; F645-W749 WeakPolarHBondContact CD1-O 3.43Å; F645-W749 VanDerWaalsContact O-O 3.04Å; F645-L750 PolarHBondContact N-O 3.43Å; F645-L750 WeakPolarHBondContact O-CA 3.37Å
646	G	92.6	Very high	93.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.128	C	C	.	.			trans	-92.2	2.2	-175.5	0	0	0	0	0	115.2	V648 I649 G650 Y651 D654 T725	G646-V648 VanDerWaalsContact C-N 3.35Å; G646-V648 PolarHBondContact O-N 3.33Å; G646-I649 PolarHBondContact O-N 2.84Å; G646-G650 WeakPolarHBondContact O-CA 3.5Å; G646-G650 PolarHBondContact O-N 3.47Å; G646-Y651 PolarHBondContact O-N 3.45Å; G646-D654 VanDerWaalsContact N-CB 3.31Å; G646-D654 PolarHBondContact N-OD2 2.98Å; G646-D654 VanDerWaalsContact N-OD2 3.16Å; G646-T725 VanDerWaalsContact O-CG2 3.29Å; G646-T725 WeakPolarHBondContact O-CG2 3.5Å
647	G	90.4	Very high	93.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-25.1	-163.1	0	0	0	0	0	115.6	D723 R724	G647-D723 WeakPolarHBondContact CA-OD1 3.38Å; G647-R724 WeakPolarHBondContact O-CB 3.45Å; G647-R724 PolarHBondContact O-N 3.12Å
648	V	90.5	Very high	93.2	Very high	13 Å²	13	22.1 Å²	22.1	8%	0.079	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-45.8	178.4	170.8	0	0	0	0	112.1	F645 G646 F709 L714 R724 H748 W749	F645-V648 HydrophobicContact CE1-CG2 4.2Å; G646-V648 VanDerWaalsContact C-N 3.35Å; G646-V648 PolarHBondContact O-N 3.33Å; V648-F709 HydrophobicContact CG2-CD2 4.43Å; V648-F709 HydrophobicContact CG2-CE2 3.71Å; V648-L714 HydrophobicContact CG1-CD1 4.38Å; V648-L714 HydrophobicContact CG1-CD2 3.96Å; V648-R724 WeakPolarHBondContact O-CD 3.2Å; V648-H748 WeakPolarHBondContact CB-O 3.39Å; V648-W749 HydrophobicContact CG2-CB 3.96Å; V648-W749 HydrophobicContact CG2-CD2 4.36Å; V648-W749 HydrophobicContact CG2-CE3 4.23Å; V648-W749 HydrophobicContact CG2-CG 4.29Å
649	I	89.2	Confident	93.2	Very high	43 Å²	43	22 Å²	22	22%	0.221	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-19.1	-173.3	60.4	167.9	0	0	0	113.1	L553 L565 G646 H748 L750	L553-I649 HydrophobicContact CD1-CD1 4.23Å; L565-I649 HydrophobicContact CD1-CD1 3.9Å; L565-I649 HydrophobicContact CD1-CG2 4.34Å; G646-I649 PolarHBondContact O-N 2.84Å; I649-H748 HydrophobicContact CG2-CB 3.85Å; I649-L750 HydrophobicContact CD1-CD1 3.61Å; I649-L750 HydrophobicContact CD1-CG 4.46Å
650	G	88	Confident	93.1	Very high	37 Å²	37	21 Å²	21	38%	0.381	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	30.2	-173.3	0	0	0	0	0	113.8	G646 S652 T725	G646-G650 WeakPolarHBondContact O-CA 3.5Å; G646-G650 PolarHBondContact O-N 3.47Å; G650-S652 PolarHBondContact O-N 3.48Å; G650-T725 VanDerWaalsContact C-CG2 3.43Å; G650-T725 VanDerWaalsContact CA-CG2 3.49Å
651	Y	90.1	Very high	92.9	Very high	50 Å²	50	23 Å²	23	20%	0.196	14%	0.135	C	C	.	.			trans	-76.8	117.2	178.1	-178.4	-109.8	0	0	0	111.1	L553 I644 G646 G653 D654 T725	L553-Y651 HydrophobicContact CD1-CD2 3.69Å; L553-Y651 HydrophobicContact CD1-CE2 3.91Å; L553-Y651 HydrophobicContact CD1-CG 4.36Å; L553-Y651 HydrophobicContact CD2-CD2 4.25Å; L553-Y651 HydrophobicContact CD2-CE2 3.78Å; I644-Y651 HydrophobicContact CG2-CD1 4.44Å; I644-Y651 HydrophobicContact CG2-CE1 4.38Å; G646-Y651 PolarHBondContact O-N 3.45Å; Y651-G653 WeakPolarHBondContact CE1-O 3.18Å; Y651-G653 PolarHBondContact O-N 3.06Å; Y651-D654 HydrophobicContact CD1-CB 4.46Å; Y651-T725 VanDerWaalsContact O-CG2 3.23Å; Y651-T725 WeakPolarHBondContact O-CG2 3.43Å
652	S	85.4	Confident	92.8	Very high	91 Å²	91	23 Å²	23	64%	0.636	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-27.1	-174.5	54.5	0	0	0	0	114.1	G650 D654 N657	G650-S652 PolarHBondContact O-N 3.48Å; S652-D654 PolarHBondContact O-N 3.49Å; S652-D654 VanDerWaalsContact O-N 3.16Å; S652-N657 PolarHBondContact O-ND2 2.79Å
653	G	85.6	Confident	92.7	Very high	27 Å²	27	23 Å²	23	28%	0.278	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	30.8	-175.1	0	0	0	0	0	115	Y651	Y651-G653 WeakPolarHBondContact CE1-O 3.18Å; Y651-G653 PolarHBondContact O-N 3.06Å
654	D	93.2	Very high	92.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-84.8	167.7	-175.7	85.1	-20.3	0	0	0	113.9	I644 G646 Y651 S652 I656 N657 K658 R726	I644-D654 HydrophobicContact CG2-CB 4.41Å; G646-D654 VanDerWaalsContact N-CB 3.31Å; G646-D654 PolarHBondContact N-OD2 2.98Å; G646-D654 VanDerWaalsContact N-OD2 3.16Å; Y651-D654 HydrophobicContact CD1-CB 4.46Å; S652-D654 PolarHBondContact O-N 3.49Å; S652-D654 VanDerWaalsContact O-N 3.16Å; D654-I656 PolarHBondContact O-N 3.19Å; D654-I656 PolarHBondContact OD1-N 2.67Å; D654-N657 PolarHBondContact O-N 3.02Å; D654-N657 PolarHBondContact OD1-N 3.35Å; D654-N657 VanDerWaalsContact OD1-N 3.12Å; D654-K658 WeakPolarHBondContact O-CE 3.47Å; D654-K658 PolarHBondContact O-N 2.66Å; D654-R726 VanDerWaalsContact CG-NH1 3.3Å; D654-R726 IonicContact OD1-NH1 3.76Å; D654-R726 PolarHBondContact OD1-NH1 3.41Å; D654-R726 IonicContact OD2-CZ 3.15Å; D654-R726 IonicContact OD2-NH1 2.84Å; D654-R726 PolarHBondContact OD2-NH1 3.48Å; D654-R726 IonicContact OD2-NH2 2.75Å
655	D	95.2	Very high	92.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-71.5	-16.9	-174.2	-74.8	-34.2	0	0	0	113.4	Y591 I644 K658 F659 M662 M701	Y591-D655 WeakPolarHBondContact CE2-OD1 3.31Å; I644-D655 PolarHBondContact N-OD2 3.39Å; I644-D655 PolarHBondContact O-N 3.34Å; I644-D655 VanDerWaalsContact O-N 3.07Å; D655-K658 CarbonylContact O-C 3.6Å; D655-K658 PolarHBondContact O-N 2.91Å; D655-K658 WeakPolarHBondContact OD1-CE 3.44Å; D655-K658 IonicContact OD1-NZ 3.91Å; D655-K658 PolarHBondContact OD1-NZ 2.98Å; D655-F659 WeakPolarHBondContact O-CA 3.23Å; D655-F659 WeakPolarHBondContact O-CB 3.32Å; D655-F659 PolarHBondContact O-N 3.49Å; D655-M662 HydrophobicContact CB-CE 4.07Å; D655-M701 HydrophobicContact CB-CE 4.11Å; D655-M701 HydrophobicContact CB-SD 4Å
656	I	94.8	Very high	92.3	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-73.6	-41	175	-62.6	-66.4	0	0	0	111	D654 K658 F659 V688 M701 Y706	D654-I656 PolarHBondContact O-N 3.19Å; D654-I656 PolarHBondContact OD1-N 2.67Å; I656-K658 VanDerWaalsContact C-N 3.26Å; I656-K658 PolarHBondContact O-N 3.05Å; I656-F659 WeakPolarHBondContact O-CB 3.4Å; I656-F659 PolarHBondContact O-N 2.96Å; I656-V688 HydrophobicContact CG2-CG1 4.4Å; I656-M701 HydrophobicContact CD1-CG 3.86Å; I656-Y706 HydrophobicContact CD1-CE2 4.48Å
657	N	93.1	Very high	92.4	Very high	78 Å²	78	29.6 Å²	29.6	42%	0.417	16%	0.162	S	C	.	.	H	α-helix	trans	-68.1	-28.2	174	-74.5	-22.4	0	0	0	112.5	S652 D654	S652-N657 PolarHBondContact O-ND2 2.79Å; D654-N657 PolarHBondContact O-N 3.02Å; D654-N657 PolarHBondContact OD1-N 3.35Å; D654-N657 VanDerWaalsContact OD1-N 3.12Å
658	K	93.4	Very high	92.4	Very high	34 Å²	34	32.3 Å²	32.3	15%	0.148	19%	0.19	C	C	.	.	H	α-helix	trans	-86	-10	174.8	-66.3	-178.1	-76.1	146.5	0	113.9	D590 Y591 D654 D655 I656 L660 W661 M662	D590-K658 VanDerWaalsContact OD2-CD 3.29Å; D590-K658 WeakPolarHBondContact OD2-CD 3.04Å; D590-K658 IonicContact OD2-NZ 3.88Å; D590-K658 PolarHBondContact OD2-NZ 2.82Å; Y591-K658 PolarHBondContact OH-NZ 3.45Å; D654-K658 WeakPolarHBondContact O-CE 3.47Å; D654-K658 PolarHBondContact O-N 2.66Å; D655-K658 CarbonylContact O-C 3.6Å; D655-K658 PolarHBondContact O-N 2.91Å; D655-K658 WeakPolarHBondContact OD1-CE 3.44Å; D655-K658 IonicContact OD1-NZ 3.91Å; D655-K658 PolarHBondContact OD1-NZ 2.98Å; I656-K658 VanDerWaalsContact C-N 3.26Å; I656-K658 PolarHBondContact O-N 3.05Å; K658-L660 VanDerWaalsContact C-N 3.27Å; K658-L660 PolarHBondContact O-N 3.26Å; K658-L660 VanDerWaalsContact O-N 3.16Å; K658-W661 WeakPolarHBondContact O-CB 3.47Å; K658-W661 PolarHBondContact O-N 3.25Å; K658-M662 PolarHBondContact O-N 3.06Å
659	F	95.6	Very high	92.4	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-54.1	-40.5	-172.8	178.2	-107.3	0	0	0	113.4	D655 I656 W661 M662 V663 Y679 F686 L696 C699 M701	D655-F659 WeakPolarHBondContact O-CA 3.23Å; D655-F659 WeakPolarHBondContact O-CB 3.32Å; D655-F659 PolarHBondContact O-N 3.49Å; I656-F659 WeakPolarHBondContact O-CB 3.4Å; I656-F659 PolarHBondContact O-N 2.96Å; F659-W661 PolarHBondContact O-N 3.28Å; F659-M662 WeakPolarHBondContact O-CA 3.44Å; F659-M662 VanDerWaalsContact O-CB 3.27Å; F659-M662 WeakPolarHBondContact O-CB 3.27Å; F659-M662 PolarHBondContact O-N 3.43Å; F659-V663 HydrophobicContact CD1-CG2 4.13Å; F659-V663 HydrophobicContact CE1-CG2 3.6Å; F659-V663 HydrophobicContact CE2-CG2 4.27Å; F659-V663 HydrophobicContact CZ-CG2 3.67Å; F659-V663 PolarHBondContact O-N 3.36Å; F659-V663 VanDerWaalsContact O-N 3.08Å; F659-Y679 AromaticContact CE1-CD1 3.71Å; F659-Y679 HydrophobicContact CE1-CD1 3.71Å; F659-Y679 HydrophobicContact CE1-CE1 4.01Å; F659-Y679 HydrophobicContact CE1-CG 4.12Å; F659-Y679 AromaticContact CZ-CD1 3.95Å; F659-Y679 HydrophobicContact CZ-CD1 3.95Å; F659-Y679 AromaticContact CZ-CE1 3.75Å; F659-Y679 HydrophobicContact CZ-CE1 3.75Å; F659-F686 HydrophobicContact CD1-CE2 4.09Å; F659-F686 HydrophobicContact CD1-CZ 4.11Å; F659-L696 HydrophobicContact CD1-CD1 4.08Å; F659-L696 HydrophobicContact CE1-CD1 3.65Å; F659-L696 HydrophobicContact CZ-CD1 4.24Å; F659-C699 VanDerWaalsContact CE2-SG 3.52Å; F659-C699 VanDerWaalsContact CZ-SG 3.52Å; F659-M701 HydrophobicContact CD2-CB 3.81Å; F659-M701 HydrophobicContact CD2-CG 3.82Å; F659-M701 HydrophobicContact CE2-CB 3.78Å; F659-M701 HydrophobicContact CE2-CG 4.32Å
660	L	94.3	Very high	92.6	Very high	33 Å²	33	36.5 Å²	36.5	17%	0.173	21%	0.208	C	C	.	.	H	α-helix	trans	-64.6	-29.5	-178	-160.4	64.1	0	0	0	112.4	K658 V663 R664 E676 F680	K658-L660 VanDerWaalsContact C-N 3.27Å; K658-L660 PolarHBondContact O-N 3.26Å; K658-L660 VanDerWaalsContact O-N 3.16Å; L660-V663 PolarHBondContact O-N 3.16Å; L660-R664 WeakPolarHBondContact O-CG 3.44Å; L660-R664 PolarHBondContact O-N 3.28Å; L660-E676 HydrophobicContact CD1-CG 3.8Å; L660-F680 HydrophobicContact CD1-CZ 4.01Å; L660-F680 HydrophobicContact CD2-CZ 4.04Å
661	W	94.3	Very high	92.8	Very high	68 Å²	68	38.4 Å²	38.4	26%	0.258	21%	0.214	S	C	.	.	H	α-helix	trans	-69.2	-37.5	171.7	-69.3	114.6	0	0	0	112	P382 A385 K658 F659 V663 R664 I665	P382-W661 HydrophobicContact CB-CZ3 4.39Å; A385-W661 HydrophobicContact CB-CH2 4.31Å; K658-W661 WeakPolarHBondContact O-CB 3.47Å; K658-W661 PolarHBondContact O-N 3.25Å; F659-W661 PolarHBondContact O-N 3.28Å; W661-V663 VanDerWaalsContact C-N 3.28Å; W661-V663 PolarHBondContact O-N 3.07Å; W661-R664 PolarHBondContact O-N 3.42Å; W661-I665 WeakPolarHBondContact O-CB 3.25Å; W661-I665 WeakPolarHBondContact O-CD1 3.23Å; W661-I665 WeakPolarHBondContact O-CG1 3.1Å; W661-I665 PolarHBondContact O-N 2.99Å
662	M	95.3	Very high	92.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-42.4	174.2	-48.3	-172.9	-176	0	0	110.9	W588 M622 D655 K658 F659 A666 M701	W588-M662 HydrophobicContact CB-CE 3.99Å; W588-M662 HydrophobicContact CD2-CE 3.72Å; W588-M662 HydrophobicContact CD2-CG 3.96Å; W588-M662 HydrophobicContact CD2-SD 4.22Å; W588-M662 HydrophobicContact CE3-CB 4.47Å; W588-M662 HydrophobicContact CE3-CE 4.02Å; W588-M662 HydrophobicContact CE3-CG 3.72Å; W588-M662 HydrophobicContact CE3-SD 3.91Å; W588-M662 HydrophobicContact CG-CE 3.72Å; W588-M662 HydrophobicContact CH2-CB 3.94Å; W588-M662 HydrophobicContact CH2-CG 3.69Å; W588-M662 HydrophobicContact CZ2-CG 3.87Å; W588-M662 HydrophobicContact CZ3-CB 3.92Å; W588-M662 HydrophobicContact CZ3-CG 3.6Å; W588-M662 HydrophobicContact CZ3-SD 4.29Å; M622-M662 HydrophobicContact CB-SD 3.99Å; M622-M662 HydrophobicContact CG-SD 4.36Å; D655-M662 HydrophobicContact CB-CE 4.07Å; K658-M662 PolarHBondContact O-N 3.06Å; F659-M662 WeakPolarHBondContact O-CA 3.44Å; F659-M662 VanDerWaalsContact O-CB 3.27Å; F659-M662 WeakPolarHBondContact O-CB 3.27Å; F659-M662 PolarHBondContact O-N 3.43Å; M662-A666 VanDerWaalsContact O-CB 3.28Å; M662-A666 WeakPolarHBondContact O-CB 3.3Å; M662-A666 PolarHBondContact O-N 3.42Å; M662-M701 HydrophobicContact CE-CE 3.89Å; M662-M701 HydrophobicContact SD-CE 3.76Å
663	V	95.5	Very high	93.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-49.7	176.7	174.2	0	0	0	0	111.4	F659 L660 W661 I665 A666 E667 I674 E676 Y679	F659-V663 HydrophobicContact CD1-CG2 4.13Å; F659-V663 HydrophobicContact CE1-CG2 3.6Å; F659-V663 HydrophobicContact CE2-CG2 4.27Å; F659-V663 HydrophobicContact CZ-CG2 3.67Å; F659-V663 PolarHBondContact O-N 3.36Å; F659-V663 VanDerWaalsContact O-N 3.08Å; L660-V663 PolarHBondContact O-N 3.16Å; W661-V663 VanDerWaalsContact C-N 3.28Å; W661-V663 PolarHBondContact O-N 3.07Å; V663-I665 PolarHBondContact O-N 3.27Å; V663-A666 PolarHBondContact O-N 3.44Å; V663-E667 WeakPolarHBondContact O-CB 3.45Å; V663-E667 PolarHBondContact O-N 3.36Å; V663-I674 HydrophobicContact CG1-CG2 3.77Å; V663-E676 HydrophobicContact CG1-CB 4.11Å; V663-E676 HydrophobicContact CG1-CG 4.38Å; V663-Y679 HydrophobicContact CB-CD2 4.49Å; V663-Y679 HydrophobicContact CB-CE2 4.3Å; V663-Y679 HydrophobicContact CG1-CD2 3.71Å; V663-Y679 HydrophobicContact CG1-CE2 3.53Å; V663-Y679 HydrophobicContact CG2-CD2 3.94Å; V663-Y679 HydrophobicContact CG2-CE2 3.7Å; V663-Y679 HydrophobicContact CG2-CG 4.47Å
664	R	93.8	Very high	93.6	Very high	75 Å²	75	44.5 Å²	44.5	28%	0.283	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-41.5	-180	-74.4	174.8	-174.9	145.9	6.1	113.4	P382 L660 W661 A666 E667 G668 E676	P382-R664 HydrophobicContact CB-CB 4.45Å; L660-R664 WeakPolarHBondContact O-CG 3.44Å; L660-R664 PolarHBondContact O-N 3.28Å; W661-R664 PolarHBondContact O-N 3.42Å; R664-A666 VanDerWaalsContact C-N 3.35Å; R664-E667 PolarHBondContact O-N 3.08Å; R664-G668 PolarHBondContact O-N 3.32Å; R664-E676 WeakPolarHBondContact CG-OE2 3.49Å; R664-E676 IonicContact CZ-OE1 3.93Å; R664-E676 IonicContact CZ-OE2 3.63Å; R664-E676 VanDerWaalsContact NE-CD 3.34Å; R664-E676 IonicContact NE-OE1 3.06Å; R664-E676 PolarHBondContact NE-OE1 2.88Å; R664-E676 VanDerWaalsContact NE-OE1 3.15Å; R664-E676 IonicContact NE-OE2 3.43Å; R664-E676 PolarHBondContact NE-OE2 3.16Å; R664-E676 IonicContact NH2-OE1 3.55Å; R664-E676 PolarHBondContact NH2-OE1 2.82Å; R664-E676 IonicContact NH2-OE2 3.64Å
665	I	93.4	Very high	93.7	Very high	6 Å²	6	51 Å²	51	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-67.2	-40.7	178.3	-65.6	164.2	0	0	0	110	P382 I383 W588 I615 A616 W661 V663	P382-I665 HydrophobicContact CB-CG1 4.49Å; P382-I665 HydrophobicContact CG-CG1 4.21Å; I383-I665 HydrophobicContact CD1-CG2 4.01Å; I383-I665 HydrophobicContact CG1-CD1 3.71Å; I383-I665 HydrophobicContact CG1-CG1 3.71Å; I383-I665 HydrophobicContact CG1-CG2 4.01Å; W588-I665 HydrophobicContact CH2-CD1 3.75Å; W588-I665 HydrophobicContact CZ2-CD1 3.8Å; I615-I665 HydrophobicContact CG2-CG2 4.17Å; A616-I665 HydrophobicContact CB-CG2 4.2Å; W661-I665 WeakPolarHBondContact O-CB 3.25Å; W661-I665 WeakPolarHBondContact O-CD1 3.23Å; W661-I665 WeakPolarHBondContact O-CG1 3.1Å; W661-I665 PolarHBondContact O-N 2.99Å; V663-I665 PolarHBondContact O-N 3.27Å
666	A	94.8	Very high	93.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.1	-40.1	176.1	0	0	0	0	0	112.7	K620 M662 V663 R664 G668 E669 H670 I674	K620-A666 HydrophobicContact CB-CB 4.15Å; M662-A666 VanDerWaalsContact O-CB 3.28Å; M662-A666 WeakPolarHBondContact O-CB 3.3Å; M662-A666 PolarHBondContact O-N 3.42Å; V663-A666 PolarHBondContact O-N 3.44Å; R664-A666 VanDerWaalsContact C-N 3.35Å; A666-G668 VanDerWaalsContact C-N 3.32Å; A666-G668 PolarHBondContact O-N 3.47Å; A666-E669 PolarHBondContact O-N 3.3Å; A666-H670 WeakPolarHBondContact O-CA 3.28Å; A666-H670 WeakPolarHBondContact O-CB 3.39Å; A666-H670 PolarHBondContact O-N 2.89Å; A666-I674 HydrophobicContact CB-CD1 3.66Å
667	E	94.4	Very high	93.6	Very high	58 Å²	58	56.3 Å²	56.3	27%	0.271	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-36.7	176.6	178.1	169.9	-164	0	0	112.1	V663 R664 E669 H670 P671 I674 E676	V663-E667 WeakPolarHBondContact O-CB 3.45Å; V663-E667 PolarHBondContact O-N 3.36Å; R664-E667 PolarHBondContact O-N 3.08Å; E667-E669 VanDerWaalsContact C-N 3.3Å; E667-E669 PolarHBondContact O-N 3.09Å; E667-H670 CarbonylContact O-C 3.21Å; E667-H670 PolarHBondContact O-N 3.38Å; E667-P671 VanDerWaalsContact O-CA 3.31Å; E667-P671 WeakPolarHBondContact O-CA 3.29Å; E667-P671 WeakPolarHBondContact O-CB 3.27Å; E667-P671 WeakPolarHBondContact O-CD 3.27Å; E667-P671 VanDerWaalsContact O-N 3.13Å; E667-I674 HydrophobicContact CB-CG2 4.47Å; E667-E676 WeakPolarHBondContact OE2-CB 3.21Å; E667-E676 PolarHBondContact OE2-N 3Å
668	G	90.3	Very high	93.7	Very high	57 Å²	57	55.3 Å²	55.3	59%	0.588	28%	0.28	S	S	*	.	H	α-helix	trans	-58	-39.1	178.5	0	0	0	0	0	113.8	R664 A666	R664-G668 PolarHBondContact O-N 3.32Å; A666-G668 VanDerWaalsContact C-N 3.32Å; A666-G668 PolarHBondContact O-N 3.47Å
669	E	91.7	Very high	93.8	Very high	94 Å²	94	54.1 Å²	54.1	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-95.8	-29.5	179	-64.3	-76.3	133.9	0	0	112.6	S613 A616 A666 E667 P671	S613-E669 PolarHBondContact OG-OE2 2.76Å; A616-E669 HydrophobicContact CB-CB 3.81Å; A616-E669 HydrophobicContact CB-CG 3.64Å; A666-E669 PolarHBondContact O-N 3.3Å; E667-E669 VanDerWaalsContact C-N 3.3Å; E667-E669 PolarHBondContact O-N 3.09Å; E669-P671 VanDerWaalsContact C-CD 3.47Å; E669-P671 WeakPolarHBondContact O-CD 3.3Å
670	H	93.1	Very high	93.8	Very high	50 Å²	50	56.7 Å²	56.7	23%	0.231	29%	0.286	C	S	.	.			trans	-128.6	62.7	-174.9	-58.1	-54.3	0	0	0	113.1	K620 A666 E667 K672 D673 I674	K620-H670 HydrophobicContact CD-CB 4.34Å; A666-H670 WeakPolarHBondContact O-CA 3.28Å; A666-H670 WeakPolarHBondContact O-CB 3.39Å; A666-H670 PolarHBondContact O-N 2.89Å; E667-H670 CarbonylContact O-C 3.21Å; E667-H670 PolarHBondContact O-N 3.38Å; H670-K672 PolarHBondContact O-N 2.91Å; H670-K672 VanDerWaalsContact O-N 3.12Å; H670-D673 PolarHBondContact O-N 3.14Å; H670-I674 PolarHBondContact O-N 3.48Å
671	P	91.6	Very high	93.8	Very high	78 Å²	78	55.6 Å²	55.6	51%	0.506	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.9	-172.3	27.6	-36.3	0	0	0	114.3	E667 E669	E667-P671 VanDerWaalsContact O-CA 3.31Å; E667-P671 WeakPolarHBondContact O-CA 3.29Å; E667-P671 WeakPolarHBondContact O-CB 3.27Å; E667-P671 WeakPolarHBondContact O-CD 3.27Å; E667-P671 VanDerWaalsContact O-N 3.13Å; E669-P671 VanDerWaalsContact C-CD 3.47Å; E669-P671 WeakPolarHBondContact O-CD 3.3Å
672	K	92.1	Very high	93.7	Very high	192 Å²	192	59.1 Å²	59.1	84%	0.835	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-25.7	179.1	-64.9	179.1	-176.6	174	0	112.8	H670	H670-K672 PolarHBondContact O-N 2.91Å; H670-K672 VanDerWaalsContact O-N 3.12Å
673	D	91.9	Very high	93.5	Very high	100 Å²	100	66.4 Å²	66.4	54%	0.535	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-37.6	-170.8	-57.9	-34.9	0	0	0	111.6	K620 H670	K620-D673 WeakPolarHBondContact CE-OD2 3.46Å; K620-D673 IonicContact NZ-OD2 2.64Å; K620-D673 PolarHBondContact NZ-OD2 3.24Å; H670-D673 PolarHBondContact O-N 3.14Å
674	I	94.7	Very high	93.3	Very high	4 Å²	4	68.9 Å²	68.9	2%	0.021	37%	0.372	C	S	.	.			trans	-124.5	134.1	-177.8	-70	167.2	0	0	0	109	K620 S623 V663 A666 E667 H670 Y679	K620-I674 HydrophobicContact CB-CD1 3.77Å; K620-I674 HydrophobicContact CG-CD1 3.64Å; S623-I674 WeakPolarHBondContact OG-CD1 3.41Å; V663-I674 HydrophobicContact CG1-CG2 3.77Å; A666-I674 HydrophobicContact CB-CD1 3.66Å; E667-I674 HydrophobicContact CB-CG2 4.47Å; H670-I674 PolarHBondContact O-N 3.48Å; I674-Y679 HydrophobicContact CG2-CE2 4.1Å
675	R	94.5	Very high	93.2	Very high	135 Å²	135	69.6 Å²	69.6	51%	0.509	38%	0.378	S	S	.	.			trans	-130.8	128.5	174.7	-65.5	-178.6	-74.8	-157.2	-8.8	109.7	S677 D678 Y679	R675-S677 PolarHBondContact O-N 3.16Å; R675-D678 IonicContact CZ-OD2 3.8Å; R675-D678 IonicContact NE-OD1 3.49Å; R675-D678 IonicContact NE-OD2 3.4Å; R675-D678 PolarHBondContact NE-OD2 3.34Å; R675-D678 IonicContact NH2-OD2 3.05Å; R675-D678 PolarHBondContact NH2-OD2 2.8Å; R675-D678 PolarHBondContact O-N 3.42Å; R675-Y679 WeakPolarHBondContact O-CD2 3.31Å; R675-Y679 WeakPolarHBondContact O-CE2 3.49Å
676	E	94.1	Very high	93.2	Very high	41 Å²	41	72.6 Å²	72.6	19%	0.192	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-57.7	-38.5	179.9	-172.9	-177.5	164.1	0	0	112	L660 V663 R664 E667 D678 Y679 F680	L660-E676 HydrophobicContact CD1-CG 3.8Å; V663-E676 HydrophobicContact CG1-CB 4.11Å; V663-E676 HydrophobicContact CG1-CG 4.38Å; R664-E676 WeakPolarHBondContact CG-OE2 3.49Å; R664-E676 IonicContact CZ-OE1 3.93Å; R664-E676 IonicContact CZ-OE2 3.63Å; R664-E676 VanDerWaalsContact NE-CD 3.34Å; R664-E676 IonicContact NE-OE1 3.06Å; R664-E676 PolarHBondContact NE-OE1 2.88Å; R664-E676 VanDerWaalsContact NE-OE1 3.15Å; R664-E676 IonicContact NE-OE2 3.43Å; R664-E676 PolarHBondContact NE-OE2 3.16Å; R664-E676 IonicContact NH2-OE1 3.55Å; R664-E676 PolarHBondContact NH2-OE1 2.82Å; R664-E676 IonicContact NH2-OE2 3.64Å; E667-E676 WeakPolarHBondContact OE2-CB 3.21Å; E667-E676 PolarHBondContact OE2-N 3Å; E676-D678 PolarHBondContact O-N 2.85Å; E676-D678 VanDerWaalsContact O-N 3.13Å; E676-Y679 PolarHBondContact O-N 2.66Å; E676-F680 HydrophobicContact CG-CE2 3.75Å; E676-F680 HydrophobicContact CG-CZ 4.37Å; E676-F680 WeakPolarHBondContact O-CD2 3.44Å
677	S	94.4	Very high	93.1	Very high	79 Å²	79	76.7 Å²	76.7	55%	0.552	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-56.8	-30.1	179.6	58.6	0	0	0	0	114.1	R675 Y679 F680	R675-S677 PolarHBondContact O-N 3.16Å; S677-Y679 PolarHBondContact O-N 3.12Å; S677-F680 PolarHBondContact O-N 3.33Å
678	D	94.8	Very high	93.1	Very high	56 Å²	56	74.1 Å²	74.1	30%	0.299	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-73.6	-15.4	-173	-67.1	-10.2	0	0	0	112.2	R675 E676 S693 T695	R675-D678 IonicContact CZ-OD2 3.8Å; R675-D678 IonicContact NE-OD1 3.49Å; R675-D678 IonicContact NE-OD2 3.4Å; R675-D678 PolarHBondContact NE-OD2 3.34Å; R675-D678 IonicContact NH2-OD2 3.05Å; R675-D678 PolarHBondContact NH2-OD2 2.8Å; R675-D678 PolarHBondContact O-N 3.42Å; E676-D678 PolarHBondContact O-N 2.85Å; E676-D678 VanDerWaalsContact O-N 3.13Å; D678-S693 WeakPolarHBondContact O-CB 3Å; D678-S693 PolarHBondContact O-OG 3.21Å; D678-T695 HydrophobicContact CB-CG2 4.37Å; D678-T695 WeakPolarHBondContact O-CB 3.47Å; D678-T695 PolarHBondContact O-OG1 3.27Å
679	Y	95.4	Very high	93.3	Very high	10 Å²	10	73 Å²	73	4%	0.039	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-92.6	-11.3	178.2	-60.1	-81.5	0	0	0	113.9	S623 F659 V663 I674 R675 E676 S677 T695 L696	S623-Y679 PolarHBondContact O-OH 2.87Å; F659-Y679 AromaticContact CE1-CD1 3.71Å; F659-Y679 HydrophobicContact CE1-CD1 3.71Å; F659-Y679 HydrophobicContact CE1-CE1 4.01Å; F659-Y679 HydrophobicContact CE1-CG 4.12Å; F659-Y679 AromaticContact CZ-CD1 3.95Å; F659-Y679 HydrophobicContact CZ-CD1 3.95Å; F659-Y679 AromaticContact CZ-CE1 3.75Å; F659-Y679 HydrophobicContact CZ-CE1 3.75Å; V663-Y679 HydrophobicContact CB-CD2 4.49Å; V663-Y679 HydrophobicContact CB-CE2 4.3Å; V663-Y679 HydrophobicContact CG1-CD2 3.71Å; V663-Y679 HydrophobicContact CG1-CE2 3.53Å; V663-Y679 HydrophobicContact CG2-CD2 3.94Å; V663-Y679 HydrophobicContact CG2-CE2 3.7Å; V663-Y679 HydrophobicContact CG2-CG 4.47Å; I674-Y679 HydrophobicContact CG2-CE2 4.1Å; R675-Y679 WeakPolarHBondContact O-CD2 3.31Å; R675-Y679 WeakPolarHBondContact O-CE2 3.49Å; E676-Y679 PolarHBondContact O-N 2.66Å; S677-Y679 PolarHBondContact O-N 3.12Å; Y679-T695 HydrophobicContact CD1-CG2 4.27Å; Y679-T695 HydrophobicContact CE1-CG2 3.94Å; Y679-L696 HydrophobicContact CD1-CB 4.2Å; Y679-L696 HydrophobicContact CD1-CD1 4.27Å
680	F	95	Very high	93.3	Very high	54 Å²	54	76 Å²	76	24%	0.237	39%	0.387	C	S	.	.	S	Bend	trans	-87.3	157	176.6	-66.8	-66.5	0	0	0	111.8	L660 E676 S677 F686	L660-F680 HydrophobicContact CD1-CZ 4.01Å; L660-F680 HydrophobicContact CD2-CZ 4.04Å; E676-F680 HydrophobicContact CG-CE2 3.75Å; E676-F680 HydrophobicContact CG-CZ 4.37Å; E676-F680 WeakPolarHBondContact O-CD2 3.44Å; S677-F680 PolarHBondContact O-N 3.33Å; F680-F686 HydrophobicContact CD1-CB 3.97Å; F680-F686 HydrophobicContact CE1-CB 3.86Å
681	T	94.3	Very high	93.3	Very high	11 Å²	11	75.9 Å²	75.9	7%	0.067	40%	0.395	C	S	.	.			trans	-66.7	165.2	167.8	68.3	0	0	0	0	110.5	Q683 G684 E685 R687 A691	T681-Q683 PolarHBondContact O-N 3.48Å; T681-Q683 PolarHBondContact OG1-N 3.24Å; T681-G684 PolarHBondContact O-N 3.28Å; T681-E685 WeakPolarHBondContact CG2-O 3.49Å; T681-E685 PolarHBondContact N-O 2.89Å; T681-E685 PolarHBondContact OG1-N 3.3Å; T681-E685 VanDerWaalsContact OG1-N 3.13Å; T681-E685 PolarHBondContact OG1-O 3.46Å; T681-R687 HydrophobicContact CG2-CB 4.27Å; T681-A691 WeakPolarHBondContact CG2-O 3.4Å
682	P	91.9	Very high	93.3	Very high	142 Å²	142	72.5 Å²	72.5	92%	0.922	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-17.1	172.8	-25.7	35.5	0	0	0	114.4
683	Q	91.1	Very high	93.5	Very high	153 Å²	153	63.9 Å²	63.9	72%	0.715	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-6.6	176.1	-65.5	173.5	-15.3	0	0	112.9	T681 E685	T681-Q683 PolarHBondContact O-N 3.48Å; T681-Q683 PolarHBondContact OG1-N 3.24Å; Q683-E685 HydrophobicContact CB-CG 4.47Å
684	G	91.4	Very high	93.6	Very high	52 Å²	52	63.5 Å²	63.5	54%	0.536	34%	0.341	S	S	.	.	S	Bend	trans	86	14.9	-177.7	0	0	0	0	0	114.6	T681	T681-G684 PolarHBondContact O-N 3.28Å
685	E	92.9	Very high	93.5	Very high	90 Å²	90	66.3 Å²	66.3	42%	0.421	36%	0.359	S	S	.	.			trans	-94.4	145	179.8	-59.2	-177.9	166.3	0	0	111.4	T681 Q683 R687	T681-E685 WeakPolarHBondContact CG2-O 3.49Å; T681-E685 PolarHBondContact N-O 2.89Å; T681-E685 PolarHBondContact OG1-N 3.3Å; T681-E685 VanDerWaalsContact OG1-N 3.13Å; T681-E685 PolarHBondContact OG1-O 3.46Å; Q683-E685 HydrophobicContact CB-CG 4.47Å; E685-R687 HydrophobicContact CB-CG 4.22Å; E685-R687 VanDerWaalsContact OE2-CD 3.22Å; E685-R687 WeakPolarHBondContact OE2-CD 3.46Å; E685-R687 IonicContact OE2-NH1 2.67Å
686	F	93.8	Very high	93.6	Very high	69 Å²	69	60.1 Å²	60.1	30%	0.303	34%	0.336	S	S	.	.			trans	-94	109.5	170.4	-177.3	-104.2	0	0	0	109.7	F659 F680 L696	F659-F686 HydrophobicContact CD1-CE2 4.09Å; F659-F686 HydrophobicContact CD1-CZ 4.11Å; F680-F686 HydrophobicContact CD1-CB 3.97Å; F680-F686 HydrophobicContact CE1-CB 3.86Å; F686-L696 HydrophobicContact CD2-CD2 4.15Å; F686-L696 HydrophobicContact CE2-CD1 3.96Å; F686-L696 HydrophobicContact CE2-CD2 3.59Å; F686-L696 HydrophobicContact CE2-CG 4.43Å; F686-L696 HydrophobicContact CZ-CD1 4.25Å; F686-L696 HydrophobicContact CZ-CD2 4.01Å
687	R	92.7	Very high	93.6	Very high	85 Å²	85	59.1 Å²	59.1	32%	0.321	33%	0.332	S	S	.	.			trans	-134	142.4	-173.9	-73.5	174.9	53.7	160.2	-0.5	112.1	T681 E685 D689 A691 G692 L696	T681-R687 HydrophobicContact CG2-CB 4.27Å; E685-R687 HydrophobicContact CB-CG 4.22Å; E685-R687 VanDerWaalsContact OE2-CD 3.22Å; E685-R687 WeakPolarHBondContact OE2-CD 3.46Å; E685-R687 IonicContact OE2-NH1 2.67Å; R687-D689 IonicContact CZ-OD1 3.27Å; R687-D689 IonicContact CZ-OD2 2.78Å; R687-D689 VanDerWaalsContact CZ-OD2 3.27Å; R687-D689 IonicContact NE-OD1 3.23Å; R687-D689 PolarHBondContact NE-OD1 3.5Å; R687-D689 IonicContact NE-OD2 3.57Å; R687-D689 PolarHBondContact NE-OD2 3.03Å; R687-D689 VanDerWaalsContact NH2-CG 3.32Å; R687-D689 IonicContact NH2-OD1 3.51Å; R687-D689 PolarHBondContact NH2-OD1 3Å; R687-D689 IonicContact NH2-OD2 2.63Å; R687-D689 PolarHBondContact NH2-OD2 3.47Å; R687-A691 VanDerWaalsContact NH2-CB 3.3Å; R687-G692 VanDerWaalsContact O-CA 3.23Å; R687-G692 WeakPolarHBondContact O-CA 3.23Å; R687-L696 VanDerWaalsContact O-CD2 3.31Å; R687-L696 WeakPolarHBondContact O-CD2 3.31Å
688	V	94.1	Very high	93.6	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.024	33%	0.33	C	S	.	.			trans	-102.4	-4.5	-179	-64.2	0	0	0	0	113.7	I656 Y702 R726 A728 G731	I656-V688 HydrophobicContact CG2-CG1 4.4Å; V688-Y702 HydrophobicContact CB-CE2 4.17Å; V688-Y702 HydrophobicContact CG1-CE2 4.5Å; V688-Y702 PolarHBondContact O-OH 3.15Å; V688-R726 HydrophobicContact CG2-CB 4.02Å; V688-R726 HydrophobicContact CG2-CG 4.15Å; V688-A728 HydrophobicContact CG2-CB 4.04Å; V688-G731 PolarHBondContact O-N 2.79Å; V688-G731 VanDerWaalsContact O-N 3.08Å
689	D	93	Very high	93.6	Very high	33 Å²	33	57.3 Å²	57.3	18%	0.176	32%	0.316	C	S	.	.	S	Bend	trans	-83	-170.6	179.3	66.6	7	0	0	0	112.1	R687 A691 G692 E729 G731	R687-D689 IonicContact CZ-OD1 3.27Å; R687-D689 IonicContact CZ-OD2 2.78Å; R687-D689 VanDerWaalsContact CZ-OD2 3.27Å; R687-D689 IonicContact NE-OD1 3.23Å; R687-D689 PolarHBondContact NE-OD1 3.5Å; R687-D689 IonicContact NE-OD2 3.57Å; R687-D689 PolarHBondContact NE-OD2 3.03Å; R687-D689 VanDerWaalsContact NH2-CG 3.32Å; R687-D689 IonicContact NH2-OD1 3.51Å; R687-D689 PolarHBondContact NH2-OD1 3Å; R687-D689 IonicContact NH2-OD2 2.63Å; R687-D689 PolarHBondContact NH2-OD2 3.47Å; D689-A691 PolarHBondContact O-N 2.61Å; D689-A691 VanDerWaalsContact O-N 3.11Å; D689-A691 PolarHBondContact OD1-N 2.94Å; D689-A691 VanDerWaalsContact OD1-N 3.11Å; D689-G692 PolarHBondContact O-N 3.12Å; D689-G692 PolarHBondContact OD1-N 3.35Å; D689-E729 VanDerWaalsContact CA-O 3.24Å; D689-E729 WeakPolarHBondContact CA-O 3.29Å; D689-E729 WeakPolarHBondContact CB-O 3.46Å; D689-G731 VanDerWaalsContact C-CA 3.46Å
690	K	91.8	Very high	93.7	Very high	157 Å²	157	56.8 Å²	56.8	68%	0.683	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-20.6	-178.2	-65.5	179.9	-177.2	167.2	0	113.8
691	A	92.9	Very high	93.7	Very high	48 Å²	48	54.3 Å²	54.3	40%	0.397	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-7.4	177.2	0	0	0	0	0	112.7	T681 R687 D689	T681-A691 WeakPolarHBondContact CG2-O 3.4Å; R687-A691 VanDerWaalsContact NH2-CB 3.3Å; D689-A691 PolarHBondContact O-N 2.61Å; D689-A691 VanDerWaalsContact O-N 3.11Å; D689-A691 PolarHBondContact OD1-N 2.94Å; D689-A691 VanDerWaalsContact OD1-N 3.11Å
692	G	92.4	Very high	93.8	Very high	8 Å²	8	53.9 Å²	53.9	8%	0.082	30%	0.3	C	S	.	.	S	Bend	trans	-57.2	156	173.9	0	0	0	0	0	112.6	R687 D689 L697	R687-G692 VanDerWaalsContact O-CA 3.23Å; R687-G692 WeakPolarHBondContact O-CA 3.23Å; D689-G692 PolarHBondContact O-N 3.12Å; D689-G692 PolarHBondContact OD1-N 3.35Å; G692-L697 VanDerWaalsContact O-CD1 3.23Å; G692-L697 WeakPolarHBondContact O-CD1 3.31Å
693	S	95.6	Very high	94	Very high	11 Å²	11	48.5 Å²	48.5	8%	0.077	26%	0.262	C	S	.	.			trans	-60	135.3	179.9	172.6	0	0	0	0	111.4	D678 T695 L696 L697	D678-S693 WeakPolarHBondContact O-CB 3Å; D678-S693 PolarHBondContact O-OG 3.21Å; S693-T695 PolarHBondContact O-N 2.75Å; S693-T695 VanDerWaalsContact O-N 3.1Å; S693-T695 PolarHBondContact OG-N 2.75Å; S693-L696 WeakPolarHBondContact O-CA 3.36Å; S693-L696 WeakPolarHBondContact O-CB 2.93Å; S693-L696 PolarHBondContact O-N 3.44Å; S693-L697 WeakPolarHBondContact O-CD1 3.45Å; S693-L697 PolarHBondContact O-N 2.83Å
694	P	94.2	Very high	94.3	Very high	92 Å²	92	41.2 Å²	41.2	60%	0.597	23%	0.228	S	C	*	.	H	α-helix	trans	-59.3	-25	175.3	26.5	-35.1	0	0	0	112.5	N698	P694-N698 WeakPolarHBondContact O-CB 3.49Å; P694-N698 PolarHBondContact O-N 3.37Å; P694-N698 PolarHBondContact O-ND2 2.94Å
695	T	94.3	Very high	94.4	Very high	62 Å²	62	38.8 Å²	38.8	38%	0.38	20%	0.203	S	C	.	.	H	α-helix	trans	-66.5	-44.1	172.9	-51.5	0	0	0	0	110.9	D678 Y679 S693 N698 C699	D678-T695 HydrophobicContact CB-CG2 4.37Å; D678-T695 WeakPolarHBondContact O-CB 3.47Å; D678-T695 PolarHBondContact O-OG1 3.27Å; Y679-T695 HydrophobicContact CD1-CG2 4.27Å; Y679-T695 HydrophobicContact CE1-CG2 3.94Å; S693-T695 PolarHBondContact O-N 2.75Å; S693-T695 VanDerWaalsContact O-N 3.1Å; S693-T695 PolarHBondContact OG-N 2.75Å; T695-N698 PolarHBondContact O-N 2.82Å; T695-C699 PolarHBondContact O-N 2.66Å
696	L	95.1	Very high	94.6	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-46.4	176.2	178	63.6	0	0	0	111.7	F659 Y679 F686 R687 S693 N698 C699 Y702	F659-L696 HydrophobicContact CD1-CD1 4.08Å; F659-L696 HydrophobicContact CE1-CD1 3.65Å; F659-L696 HydrophobicContact CZ-CD1 4.24Å; Y679-L696 HydrophobicContact CD1-CB 4.2Å; Y679-L696 HydrophobicContact CD1-CD1 4.27Å; F686-L696 HydrophobicContact CD2-CD2 4.15Å; F686-L696 HydrophobicContact CE2-CD1 3.96Å; F686-L696 HydrophobicContact CE2-CD2 3.59Å; F686-L696 HydrophobicContact CE2-CG 4.43Å; F686-L696 HydrophobicContact CZ-CD1 4.25Å; F686-L696 HydrophobicContact CZ-CD2 4.01Å; R687-L696 VanDerWaalsContact O-CD2 3.31Å; R687-L696 WeakPolarHBondContact O-CD2 3.31Å; S693-L696 WeakPolarHBondContact O-CA 3.36Å; S693-L696 WeakPolarHBondContact O-CB 2.93Å; S693-L696 PolarHBondContact O-N 3.44Å; L696-N698 PolarHBondContact O-N 2.81Å; L696-C699 WeakPolarHBondContact O-CB 3.38Å; L696-C699 PolarHBondContact O-N 2.84Å; L696-C699 VanDerWaalsContact O-N 3.12Å; L696-Y702 HydrophobicContact CG-CD2 4.39Å; L696-Y702 WeakPolarHBondContact O-CB 3.18Å
697	L	94.4	Very high	94.7	Very high	21 Å²	21	33 Å²	33	11%	0.11	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-20.5	-179	-76.2	97	0	0	0	113.7	G692 S693 Y702 N732	G692-L697 VanDerWaalsContact O-CD1 3.23Å; G692-L697 WeakPolarHBondContact O-CD1 3.31Å; S693-L697 WeakPolarHBondContact O-CD1 3.45Å; S693-L697 PolarHBondContact O-N 2.83Å; L697-Y702 HydrophobicContact CB-CE1 4.43Å; L697-Y702 HydrophobicContact CG-CE1 4.34Å; L697-Y702 HydrophobicContact CG-CE2 4.41Å; L697-Y702 WeakPolarHBondContact O-CD1 3.36Å; L697-N732 HydrophobicContact CD2-CB 3.87Å
698	N	94.5	Very high	94.8	Very high	95 Å²	95	35.6 Å²	35.6	51%	0.508	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-0.9	175.8	-69.8	-55.4	0	0	0	113.9	P694 T695 L696	P694-N698 WeakPolarHBondContact O-CB 3.49Å; P694-N698 PolarHBondContact O-N 3.37Å; P694-N698 PolarHBondContact O-ND2 2.94Å; T695-N698 PolarHBondContact O-N 2.82Å; L696-N698 PolarHBondContact O-N 2.81Å
699	C	95.4	Very high	94.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	18%	0.184	C	C	.	.	S	Bend	trans	-63.3	145.8	175.8	173.6	0	0	0	0	111.2	M622 S623 F659 T695 L696 M701 Y702 K703	M622-C699 PolarHBondContact O-SG 3.11Å; S623-C699 VanDerWaalsContact C-SG 3.59Å; S623-C699 VanDerWaalsContact CA-SG 3.56Å; S623-C699 PolarHBondContact O-SG 2.83Å; S623-C699 VanDerWaalsContact O-SG 3.37Å; F659-C699 VanDerWaalsContact CE2-SG 3.52Å; F659-C699 VanDerWaalsContact CZ-SG 3.52Å; T695-C699 PolarHBondContact O-N 2.66Å; L696-C699 WeakPolarHBondContact O-CB 3.38Å; L696-C699 PolarHBondContact O-N 2.84Å; L696-C699 VanDerWaalsContact O-N 3.12Å; C699-M701 PolarHBondContact O-N 3.19Å; C699-M701 PolarHBondContact SG-N 3.02Å; C699-Y702 PolarHBondContact O-N 3.42Å; C699-K703 WeakPolarHBondContact O-CG 3.46Å; C699-K703 PolarHBondContact O-N 3.02Å
700	L	96.3	Very high	94.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.6	-47.5	177.5	-172.8	70.8	0	0	0	111.5	S624 E626 A629 M633 Y702 K703 M704 L740	S624-L700 WeakPolarHBondContact O-CB 3.39Å; S624-L700 PolarHBondContact O-N 2.76Å; E626-L700 HydrophobicContact CB-CD1 4.29Å; E626-L700 HydrophobicContact CG-CD1 4.16Å; A629-L700 HydrophobicContact CB-CB 4.33Å; A629-L700 HydrophobicContact CB-CD2 3.6Å; A629-L700 HydrophobicContact CB-CG 4.4Å; M633-L700 HydrophobicContact CE-CD2 4.06Å; L700-Y702 PolarHBondContact O-N 3.35Å; L700-K703 PolarHBondContact O-N 3.45Å; L700-M704 HydrophobicContact CD1-CG 4.25Å; L700-M704 HydrophobicContact CD1-SD 4.25Å; L700-M704 HydrophobicContact CD2-CE 3.81Å; L700-M704 HydrophobicContact CD2-SD 4.01Å; L700-M704 HydrophobicContact CG-CE 3.67Å; L700-M704 HydrophobicContact CG-CG 4.15Å; L700-M704 HydrophobicContact CG-SD 3.84Å; L700-M704 WeakPolarHBondContact O-CB 3.17Å; L700-M704 VanDerWaalsContact O-CG 3.3Å; L700-M704 WeakPolarHBondContact O-CG 3.39Å; L700-M704 PolarHBondContact O-N 3.46Å; L700-L740 HydrophobicContact CD1-CD1 3.76Å
701	M	96.3	Very high	94.6	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-56.4	-48.9	178.7	-177.5	60	71.4	0	0	111.9	M622 I643 D655 I656 F659 M662 C699 K703 M704 S705	M622-M701 HydrophobicContact CB-CE 4.01Å; M622-M701 HydrophobicContact CG-CE 4.06Å; M622-M701 VanDerWaalsContact O-CB 3.29Å; M622-M701 WeakPolarHBondContact O-CB 3.34Å; M622-M701 PolarHBondContact O-N 2.88Å; M622-M701 HydrophobicContact SD-CE 3.71Å; I643-M701 HydrophobicContact CB-SD 4.46Å; I643-M701 HydrophobicContact CG2-CE 4.04Å; I643-M701 HydrophobicContact CG2-SD 3.9Å; D655-M701 HydrophobicContact CB-CE 4.11Å; D655-M701 HydrophobicContact CB-SD 4Å; I656-M701 HydrophobicContact CD1-CG 3.86Å; F659-M701 HydrophobicContact CD2-CB 3.81Å; F659-M701 HydrophobicContact CD2-CG 3.82Å; F659-M701 HydrophobicContact CE2-CB 3.78Å; F659-M701 HydrophobicContact CE2-CG 4.32Å; M662-M701 HydrophobicContact CE-CE 3.89Å; M662-M701 HydrophobicContact SD-CE 3.76Å; C699-M701 PolarHBondContact O-N 3.19Å; C699-M701 PolarHBondContact SG-N 3.02Å; M701-K703 VanDerWaalsContact C-N 3.33Å; M701-K703 PolarHBondContact O-N 3.27Å; M701-M704 PolarHBondContact O-N 3.39Å; M701-S705 PolarHBondContact O-N 3.03Å; M701-S705 PolarHBondContact O-OG 3.2Å
702	Y	96.1	Very high	94.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-58.9	-46.1	177.7	-174.7	-83.5	0	0	0	111.3	V688 L696 L697 C699 L700 M704 Y706 G731 N732 I735	V688-Y702 HydrophobicContact CB-CE2 4.17Å; V688-Y702 HydrophobicContact CG1-CE2 4.5Å; V688-Y702 PolarHBondContact O-OH 3.15Å; L696-Y702 HydrophobicContact CG-CD2 4.39Å; L696-Y702 WeakPolarHBondContact O-CB 3.18Å; L697-Y702 HydrophobicContact CB-CE1 4.43Å; L697-Y702 HydrophobicContact CG-CE1 4.34Å; L697-Y702 HydrophobicContact CG-CE2 4.41Å; L697-Y702 WeakPolarHBondContact O-CD1 3.36Å; C699-Y702 PolarHBondContact O-N 3.42Å; L700-Y702 PolarHBondContact O-N 3.35Å; Y702-M704 PolarHBondContact O-N 3.07Å; Y702-Y706 HydrophobicContact CD1-CD2 4Å; Y702-Y706 AromaticContact CD2-CD2 3.6Å; Y702-Y706 HydrophobicContact CD2-CD2 3.6Å; Y702-Y706 AromaticContact CD2-CE2 3.54Å; Y702-Y706 HydrophobicContact CD2-CE2 3.54Å; Y702-Y706 AromaticContact CE1-CD2 3.92Å; Y702-Y706 HydrophobicContact CE1-CD2 3.92Å; Y702-Y706 AromaticContact CE2-CD2 3.54Å; Y702-Y706 HydrophobicContact CE2-CD2 3.54Å; Y702-Y706 AromaticContact CE2-CE2 3.4Å; Y702-Y706 HydrophobicContact CE2-CE2 3.4Å; Y702-Y706 VanDerWaalsContact CE2-CE2 3.4Å; Y702-Y706 AromaticContact CG-CD2 3.84Å; Y702-Y706 HydrophobicContact CG-CD2 3.84Å; Y702-Y706 HydrophobicContact CG-CE2 4.24Å; Y702-Y706 AromaticContact CZ-CD2 3.71Å; Y702-Y706 AromaticContact CZ-CE2 3.99Å; Y702-Y706 WeakPolarHBondContact O-CD2 3.43Å; Y702-Y706 PolarHBondContact O-N 2.93Å; Y702-Y706 VanDerWaalsContact O-N 3.07Å; Y702-G731 PolarHBondContact OH-N 2.75Å; Y702-N732 HydrophobicContact CE1-CB 4.2Å; Y702-N732 PolarHBondContact OH-N 3.48Å; Y702-I735 HydrophobicContact CD1-CD1 4.14Å; Y702-I735 HydrophobicContact CE1-CD1 4Å
703	K	95.9	Very high	94.2	Very high	30 Å²	30	39 Å²	39	13%	0.13	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-42.2	179	-69.7	-177.2	70.2	-179.8	0	112.3	E626 C699 L700 M701 Y707 I735 K736 F737	E626-K703 IonicContact OE2-NZ 2.88Å; E626-K703 PolarHBondContact OE2-NZ 3.49Å; C699-K703 WeakPolarHBondContact O-CG 3.46Å; C699-K703 PolarHBondContact O-N 3.02Å; L700-K703 PolarHBondContact O-N 3.45Å; M701-K703 VanDerWaalsContact C-N 3.33Å; M701-K703 PolarHBondContact O-N 3.27Å; K703-Y707 PolarHBondContact O-N 3.22Å; K703-I735 HydrophobicContact CB-CG2 3.74Å; K703-I735 HydrophobicContact CD-CG2 4.33Å; K703-I735 HydrophobicContact CG-CG2 3.77Å; K703-K736 WeakPolarHBondContact CE-O 3.15Å; K703-K736 PolarHBondContact NZ-O 3.14Å; K703-F737 HydrophobicContact CB-CE1 3.75Å; K703-F737 HydrophobicContact CB-CZ 4.17Å; K703-F737 VanDerWaalsContact O-CZ 3.25Å; K703-F737 WeakPolarHBondContact O-CZ 3.48Å
704	M	96.2	Very high	93.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-51.4	177.3	-68.6	-172.7	-54.8	0	0	111	M622 V641 I643 L700 M701 Y702 Y706 F737 L740 Y754	M622-M704 HydrophobicContact SD-CE 3.67Å; V641-M704 HydrophobicContact CB-SD 4.38Å; V641-M704 HydrophobicContact CG1-CE 4.07Å; V641-M704 HydrophobicContact CG1-SD 3.87Å; I643-M704 HydrophobicContact CD1-CB 3.56Å; I643-M704 HydrophobicContact CG1-CB 4.39Å; I643-M704 HydrophobicContact CG2-CE 3.9Å; L700-M704 HydrophobicContact CD1-CG 4.25Å; L700-M704 HydrophobicContact CD1-SD 4.25Å; L700-M704 HydrophobicContact CD2-CE 3.81Å; L700-M704 HydrophobicContact CD2-SD 4.01Å; L700-M704 HydrophobicContact CG-CE 3.67Å; L700-M704 HydrophobicContact CG-CG 4.15Å; L700-M704 HydrophobicContact CG-SD 3.84Å; L700-M704 WeakPolarHBondContact O-CB 3.17Å; L700-M704 VanDerWaalsContact O-CG 3.3Å; L700-M704 WeakPolarHBondContact O-CG 3.39Å; L700-M704 PolarHBondContact O-N 3.46Å; M701-M704 PolarHBondContact O-N 3.39Å; Y702-M704 PolarHBondContact O-N 3.07Å; M704-Y706 PolarHBondContact O-N 3.06Å; M704-F737 HydrophobicContact CG-CE1 4.15Å; M704-F737 HydrophobicContact CG-CZ 4.12Å; M704-L740 HydrophobicContact CG-CD1 3.93Å; M704-L740 HydrophobicContact SD-CD1 3.7Å; M704-Y754 HydrophobicContact CB-CD2 4.18Å; M704-Y754 HydrophobicContact CB-CE2 3.89Å; M704-Y754 HydrophobicContact CG-CD2 4.2Å; M704-Y754 HydrophobicContact CG-CE2 4.34Å; M704-Y754 PolarHBondContact O-OH 3.44Å; M704-Y754 HydrophobicContact SD-CD2 4.32Å
705	S	95	Very high	92.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-40.5	-176.9	-56.3	0	0	0	0	112.9	I643 M701 R752	I643-S705 VanDerWaalsContact CD1-CA 3.5Å; I643-S705 VanDerWaalsContact CD1-N 3.33Å; I643-S705 WeakPolarHBondContact CD1-OG 3.43Å; M701-S705 PolarHBondContact O-N 3.03Å; M701-S705 PolarHBondContact O-OG 3.2Å; S705-R752 PolarHBondContact O-NH1 3.1Å
706	Y	96.2	Very high	91.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	11.3	-173.2	-64.1	-65.6	0	0	0	115.4	F645 I656 Y702 M704 R708 F709 D723 R726 I730	F645-Y706 AromaticContact CE2-CD1 3.9Å; F645-Y706 HydrophobicContact CE2-CD1 3.9Å; F645-Y706 AromaticContact CE2-CE1 3.67Å; F645-Y706 HydrophobicContact CE2-CE1 3.67Å; F645-Y706 HydrophobicContact CZ-CD1 4.07Å; F645-Y706 HydrophobicContact CZ-CE1 4.09Å; I656-Y706 HydrophobicContact CD1-CE2 4.48Å; Y702-Y706 HydrophobicContact CD1-CD2 4Å; Y702-Y706 AromaticContact CD2-CD2 3.6Å; Y702-Y706 HydrophobicContact CD2-CD2 3.6Å; Y702-Y706 AromaticContact CD2-CE2 3.54Å; Y702-Y706 HydrophobicContact CD2-CE2 3.54Å; Y702-Y706 AromaticContact CE1-CD2 3.92Å; Y702-Y706 HydrophobicContact CE1-CD2 3.92Å; Y702-Y706 AromaticContact CE2-CD2 3.54Å; Y702-Y706 HydrophobicContact CE2-CD2 3.54Å; Y702-Y706 AromaticContact CE2-CE2 3.4Å; Y702-Y706 HydrophobicContact CE2-CE2 3.4Å; Y702-Y706 VanDerWaalsContact CE2-CE2 3.4Å; Y702-Y706 AromaticContact CG-CD2 3.84Å; Y702-Y706 HydrophobicContact CG-CD2 3.84Å; Y702-Y706 HydrophobicContact CG-CE2 4.24Å; Y702-Y706 AromaticContact CZ-CD2 3.71Å; Y702-Y706 AromaticContact CZ-CE2 3.99Å; Y702-Y706 WeakPolarHBondContact O-CD2 3.43Å; Y702-Y706 PolarHBondContact O-N 2.93Å; Y702-Y706 VanDerWaalsContact O-N 3.07Å; M704-Y706 PolarHBondContact O-N 3.06Å; Y706-R708 PolarHBondContact O-N 2.91Å; Y706-F709 HydrophobicContact CD1-CB 4.32Å; Y706-F709 AromaticContact CD1-CD1 3.65Å; Y706-F709 HydrophobicContact CD1-CD1 3.65Å; Y706-F709 HydrophobicContact CD1-CE1 4.3Å; Y706-F709 HydrophobicContact CD1-CG 4.2Å; Y706-F709 HydrophobicContact CE1-CD1 4.13Å; Y706-F709 HydrophobicContact CE1-CE1 4.34Å; Y706-F709 WeakPolarHBondContact O-CB 3.19Å; Y706-F709 PolarHBondContact O-N 3.08Å; Y706-D723 VanDerWaalsContact CE1-OD2 3.29Å; Y706-D723 WeakPolarHBondContact CE1-OD2 3.41Å; Y706-D723 PolarHBondContact OH-OD2 2.75Å; Y706-R726 VanDerWaalsContact CZ-NH2 3.28Å; Y706-R726 PolarHBondContact OH-NE 2.64Å; Y706-R726 PolarHBondContact OH-NH2 3.23Å; Y706-I730 HydrophobicContact CD1-CG2 3.67Å; Y706-I730 HydrophobicContact CE1-CG2 3.54Å; Y706-I730 HydrophobicContact CG-CG2 4.26Å
707	Y	96.2	Very high	90.7	Very high	38 Å²	38	60 Å²	60	15%	0.149	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	124.7	177.8	-178.2	-113.2	0	0	0	111.5	K703 F709 I735 F737 E742 R752 Y754	K703-Y707 PolarHBondContact O-N 3.22Å; Y707-F709 PolarHBondContact O-N 3.21Å; Y707-I735 WeakPolarHBondContact CD2-O 3.25Å; Y707-I735 VanDerWaalsContact CE2-O 3.29Å; Y707-I735 WeakPolarHBondContact CE2-O 3.38Å; Y707-F737 HydrophobicContact CD1-CE2 4.14Å; Y707-F737 AromaticContact CD2-CD2 3.7Å; Y707-F737 HydrophobicContact CD2-CD2 3.7Å; Y707-F737 AromaticContact CD2-CE2 3.35Å; Y707-F737 HydrophobicContact CD2-CE2 3.35Å; Y707-F737 HydrophobicContact CD2-CZ 4.28Å; Y707-F737 AromaticContact CE2-CD2 3.84Å; Y707-F737 HydrophobicContact CE2-CD2 3.84Å; Y707-F737 AromaticContact CE2-CE2 3.98Å; Y707-F737 HydrophobicContact CE2-CE2 3.98Å; Y707-F737 HydrophobicContact CG-CD2 4.15Å; Y707-F737 AromaticContact CG-CE2 3.45Å; Y707-F737 HydrophobicContact CG-CE2 3.45Å; Y707-F737 VanDerWaalsContact CG-CE2 3.45Å; Y707-F737 HydrophobicContact CG-CZ 4.35Å; Y707-E742 HydrophobicContact CD1-CB 4.31Å; Y707-E742 WeakPolarHBondContact CD1-OE2 3.29Å; Y707-E742 HydrophobicContact CE1-CB 4.11Å; Y707-E742 VanDerWaalsContact CE1-OE2 3.31Å; Y707-E742 WeakPolarHBondContact CE1-OE2 3.45Å; Y707-R752 PolarHBondContact O-NH1 3.21Å; Y707-R752 PolarHBondContact O-NH2 3.45Å; Y707-Y754 HydrophobicContact CD1-CE1 4.37Å
708	R	94.4	Very high	90.4	Very high	140 Å²	140	60.7 Å²	60.7	53%	0.528	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	8.1	-174.9	-63.4	179.6	177.4	-159.1	0.3	115.9	Y706 G710	Y706-R708 PolarHBondContact O-N 2.91Å; R708-G710 VanDerWaalsContact C-N 3.29Å; R708-G710 PolarHBondContact O-N 3.28Å
709	F	94.4	Very high	90	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-72.2	-24.5	178.9	-170.9	-110	0	0	0	112.8	F645 V648 Y706 Y707 E711 M712 G721 F722 D723 I730 W749	F645-F709 AromaticContact CE1-CD2 3.72Å; F645-F709 HydrophobicContact CE1-CD2 3.72Å; F645-F709 AromaticContact CE1-CE2 3.77Å; F645-F709 HydrophobicContact CE1-CE2 3.77Å; F645-F709 HydrophobicContact CE1-CG 4.29Å; F645-F709 HydrophobicContact CE1-CZ 4.37Å; F645-F709 HydrophobicContact CZ-CD1 4.17Å; F645-F709 AromaticContact CZ-CD2 3.81Å; F645-F709 HydrophobicContact CZ-CD2 3.81Å; F645-F709 HydrophobicContact CZ-CE1 4.08Å; F645-F709 AromaticContact CZ-CE2 3.72Å; F645-F709 HydrophobicContact CZ-CE2 3.72Å; F645-F709 HydrophobicContact CZ-CG 4.04Å; F645-F709 AromaticContact CZ-CZ 3.86Å; F645-F709 HydrophobicContact CZ-CZ 3.86Å; V648-F709 HydrophobicContact CG2-CD2 4.43Å; V648-F709 HydrophobicContact CG2-CE2 3.71Å; Y706-F709 HydrophobicContact CD1-CB 4.32Å; Y706-F709 AromaticContact CD1-CD1 3.65Å; Y706-F709 HydrophobicContact CD1-CD1 3.65Å; Y706-F709 HydrophobicContact CD1-CE1 4.3Å; Y706-F709 HydrophobicContact CD1-CG 4.2Å; Y706-F709 HydrophobicContact CE1-CD1 4.13Å; Y706-F709 HydrophobicContact CE1-CE1 4.34Å; Y706-F709 WeakPolarHBondContact O-CB 3.19Å; Y706-F709 PolarHBondContact O-N 3.08Å; Y707-F709 PolarHBondContact O-N 3.21Å; F709-E711 PolarHBondContact O-N 3.43Å; F709-M712 HydrophobicContact CD2-CB 4.26Å; F709-M712 WeakPolarHBondContact O-CB 3.15Å; F709-M712 PolarHBondContact O-N 2.88Å; F709-M712 VanDerWaalsContact O-N 3.08Å; F709-G721 VanDerWaalsContact O-CA 3.29Å; F709-G721 WeakPolarHBondContact O-CA 3.17Å; F709-F722 VanDerWaalsContact CZ-O 3.28Å; F709-F722 WeakPolarHBondContact CZ-O 3.34Å; F709-D723 HydrophobicContact CE1-CB 4.39Å; F709-I730 HydrophobicContact CB-CD1 4.49Å; F709-I730 HydrophobicContact CD1-CD1 4.01Å; F709-I730 HydrophobicContact CD1-CG2 3.98Å; F709-I730 HydrophobicContact CE1-CG2 4.23Å; F709-W749 HydrophobicContact CB-CZ3 4.32Å; F709-W749 AromaticContact CD2-CE3 3.91Å; F709-W749 HydrophobicContact CD2-CE3 3.91Å; F709-W749 AromaticContact CD2-CZ3 3.75Å; F709-W749 HydrophobicContact CD2-CZ3 3.75Å
710	G	91.4	Very high	89.7	Confident	6 Å²	6	61.1 Å²	61.1	6%	0.062	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-64.6	-19.8	178.1	0	0	0	0	0	115.7	R708 I730	R708-G710 VanDerWaalsContact C-N 3.29Å; R708-G710 PolarHBondContact O-N 3.28Å; G710-I730 VanDerWaalsContact CA-CD1 3.43Å
711	E	89.5	Confident	89.4	Confident	152 Å²	152	61.1 Å²	61.1	71%	0.71	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-93.6	-13.5	177	-61.9	175.7	-173.5	0	0	112	F709 Q713	F709-E711 PolarHBondContact O-N 3.43Å; E711-Q713 PolarHBondContact O-N 3.33Å
712	M	88.9	Confident	89.2	Confident	65 Å²	65	63.5 Å²	63.5	32%	0.32	29%	0.294	S	S	.	.			trans	-79.7	121.2	-177.2	-170.3	63.3	175.7	0	0	110.2	F709 L714 G721 W749	F709-M712 HydrophobicContact CD2-CB 4.26Å; F709-M712 WeakPolarHBondContact O-CB 3.15Å; F709-M712 PolarHBondContact O-N 2.88Å; F709-M712 VanDerWaalsContact O-N 3.08Å; M712-L714 HydrophobicContact CE-CD2 4.14Å; M712-G721 PolarHBondContact O-N 2.87Å; M712-W749 HydrophobicContact CB-CH2 3.92Å; M712-W749 HydrophobicContact CB-CZ3 4.05Å; M712-W749 HydrophobicContact CG-CH2 4.04Å; M712-W749 HydrophobicContact CG-CZ3 4.21Å; M712-W749 HydrophobicContact SD-CH2 4.08Å; M712-W749 HydrophobicContact SD-CZ2 4.08Å
713	Q	87.3	Confident	89.1	Confident	96 Å²	96	63.4 Å²	63.4	45%	0.449	29%	0.294	S	S	.	.			trans	-121.9	114.9	175.6	-171.2	176.7	6	0	0	109	E711 D715 T718 P720	E711-Q713 PolarHBondContact O-N 3.33Å; Q713-D715 WeakPolarHBondContact CG-O 3.29Å; Q713-D715 PolarHBondContact NE2-O 2.62Å; Q713-T718 PolarHBondContact NE2-O 3.49Å; Q713-P720 HydrophobicContact CB-CB 4.3Å
714	L	77.8	Confident	88.8	Confident	70 Å²	70	68.5 Å²	68.5	37%	0.366	31%	0.312	S	S	.	.	S	Bend	trans	-81.5	-51.9	-176.9	-72.7	161.5	0	0	0	111.6	V648 M712 R724	V648-L714 HydrophobicContact CG1-CD1 4.38Å; V648-L714 HydrophobicContact CG1-CD2 3.96Å; M712-L714 HydrophobicContact CE-CD2 4.14Å; L714-R724 HydrophobicContact CD1-CG 4.44Å
715	D	75.4	Confident	88.5	Confident	97 Å²	97	70 Å²	70	52%	0.519	32%	0.321	S	S	.	.	S	Bend	trans	-113.9	147.8	177.8	-61.2	-47.9	0	0	0	110.6	Q713 R717 T718	Q713-D715 WeakPolarHBondContact CG-O 3.29Å; Q713-D715 PolarHBondContact NE2-O 2.62Å; D715-R717 PolarHBondContact O-N 3.03Å; D715-R717 VanDerWaalsContact O-N 3.08Å; D715-T718 HydrophobicContact CB-CG2 4.27Å; D715-T718 WeakPolarHBondContact CB-OG1 3.42Å; D715-T718 PolarHBondContact N-OG1 2.9Å; D715-T718 PolarHBondContact O-N 3.35Å; D715-T718 VanDerWaalsContact O-N 3.14Å; D715-T718 PolarHBondContact O-OG1 2.86Å
716	F	69.7	Low	88.4	Confident	200 Å²	200	72.2 Å²	72.2	88%	0.877	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.6	173.2	-170.2	-96.5	0	0	0	112.8
717	R	84.2	Confident	88.2	Confident	245 Å²	245	78 Å²	78	93%	0.925	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-16.7	-179.2	-64.8	-174.7	-179.2	-176.2	1.2	114.1	D715	D715-R717 PolarHBondContact O-N 3.03Å; D715-R717 VanDerWaalsContact O-N 3.08Å
718	T	86.6	Confident	88	Confident	35 Å²	35	77.1 Å²	77.1	22%	0.215	36%	0.361	C	S	.	.	S	Bend	trans	-94	144	178.6	49.5	0	0	0	0	110.4	Q713 D715	Q713-T718 PolarHBondContact NE2-O 3.49Å; D715-T718 HydrophobicContact CB-CG2 4.27Å; D715-T718 WeakPolarHBondContact CB-OG1 3.42Å; D715-T718 PolarHBondContact N-OG1 2.9Å; D715-T718 PolarHBondContact O-N 3.35Å; D715-T718 VanDerWaalsContact O-N 3.14Å; D715-T718 PolarHBondContact O-OG1 2.86Å
719	P	87.4	Confident	88	Confident	55 Å²	55	73.8 Å²	73.8	36%	0.357	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-59	151.7	173.2	-22.9	33.4	0	0	0	111.7	F722	P719-F722 WeakPolarHBondContact O-CB 3.29Å
720	P	89.4	Confident	88	Confident	50 Å²	50	73.7 Å²	73.7	33%	0.325	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	137	171.7	27.8	-33.8	0	0	0	110.5	Q713 K733	Q713-P720 HydrophobicContact CB-CB 4.3Å; P720-K733 PolarHBondContact O-NZ 3.13Å
721	G	89.3	Confident	87.9	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	39	-175.2	0	0	0	0	0	114	F709 M712 I730	F709-G721 VanDerWaalsContact O-CA 3.29Å; F709-G721 WeakPolarHBondContact O-CA 3.17Å; M712-G721 PolarHBondContact O-N 2.87Å; G721-I730 WeakPolarHBondContact O-CG1 3.44Å; G721-I730 PolarHBondContact O-N 3.49Å
722	F	92.9	Very high	88.1	Confident	52 Å²	52	69.3 Å²	69.3	23%	0.228	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.4	176.7	-170.1	-91.5	0	0	0	111.6	F709 P719 N727	F709-F722 VanDerWaalsContact CZ-O 3.28Å; F709-F722 WeakPolarHBondContact CZ-O 3.34Å; P719-F722 WeakPolarHBondContact O-CB 3.29Å; F722-N727 HydrophobicContact CZ-CB 4.35Å
723	D	92.5	Very high	88.1	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.6	177.7	-167.4	-41.7	0	0	0	111.5	G647 Y706 F709 T725 R726 N727 A728	G647-D723 WeakPolarHBondContact CA-OD1 3.38Å; Y706-D723 VanDerWaalsContact CE1-OD2 3.29Å; Y706-D723 WeakPolarHBondContact CE1-OD2 3.41Å; Y706-D723 PolarHBondContact OH-OD2 2.75Å; F709-D723 HydrophobicContact CE1-CB 4.39Å; D723-T725 PolarHBondContact O-N 3.2Å; D723-T725 PolarHBondContact OD1-N 3.17Å; D723-T725 PolarHBondContact OD1-OG1 3.28Å; D723-R726 HydrophobicContact CB-CB 4.49Å; D723-R726 IonicContact OD1-CZ 2.75Å; D723-R726 PolarHBondContact OD1-N 3.02Å; D723-R726 IonicContact OD1-NE 3.27Å; D723-R726 IonicContact OD2-CZ 2.74Å; D723-R726 IonicContact OD2-NE 2.99Å; D723-R726 PolarHBondContact OD2-NE 3.07Å; D723-R726 IonicContact OD2-NH1 3.55Å; D723-R726 IonicContact OD2-NH2 2.67Å; D723-R726 PolarHBondContact OD2-NH2 3.21Å; D723-N727 WeakPolarHBondContact O-CA 3.28Å; D723-N727 PolarHBondContact O-N 3.28Å; D723-A728 PolarHBondContact N-O 3.29Å; D723-A728 PolarHBondContact O-N 3.42Å
724	R	90.6	Very high	88.3	Confident	137 Å²	137	70.2 Å²	70.2	52%	0.517	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-25	-178	-64.2	-175.4	75.2	177.4	-1.2	114.2	G647 V648 L714 N727	G647-R724 WeakPolarHBondContact O-CB 3.45Å; G647-R724 PolarHBondContact O-N 3.12Å; V648-R724 WeakPolarHBondContact O-CD 3.2Å; L714-R724 HydrophobicContact CD1-CG 4.44Å; R724-N727 PolarHBondContact O-OD1 2.94Å
725	T	90.4	Very high	89.1	Confident	32 Å²	32	67.4 Å²	67.4	20%	0.196	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-42.1	-178.8	58.5	0	0	0	0	111.1	G646 G650 Y651 D723	G646-T725 VanDerWaalsContact O-CG2 3.29Å; G646-T725 WeakPolarHBondContact O-CG2 3.5Å; G650-T725 VanDerWaalsContact C-CG2 3.43Å; G650-T725 VanDerWaalsContact CA-CG2 3.49Å; Y651-T725 VanDerWaalsContact O-CG2 3.23Å; Y651-T725 WeakPolarHBondContact O-CG2 3.43Å; D723-T725 PolarHBondContact O-N 3.2Å; D723-T725 PolarHBondContact OD1-N 3.17Å; D723-T725 PolarHBondContact OD1-OG1 3.28Å
726	R	92.6	Very high	89.9	Confident	45 Å²	45	71 Å²	71	17%	0.17	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.2	178.7	-81.3	76.7	72.5	173.1	12	113.2	D654 V688 Y706 D723 A728	D654-R726 VanDerWaalsContact CG-NH1 3.3Å; D654-R726 IonicContact OD1-NH1 3.76Å; D654-R726 PolarHBondContact OD1-NH1 3.41Å; D654-R726 IonicContact OD2-CZ 3.15Å; D654-R726 IonicContact OD2-NH1 2.84Å; D654-R726 PolarHBondContact OD2-NH1 3.48Å; D654-R726 IonicContact OD2-NH2 2.75Å; V688-R726 HydrophobicContact CG2-CB 4.02Å; V688-R726 HydrophobicContact CG2-CG 4.15Å; Y706-R726 VanDerWaalsContact CZ-NH2 3.28Å; Y706-R726 PolarHBondContact OH-NE 2.64Å; Y706-R726 PolarHBondContact OH-NH2 3.23Å; D723-R726 HydrophobicContact CB-CB 4.49Å; D723-R726 IonicContact OD1-CZ 2.75Å; D723-R726 PolarHBondContact OD1-N 3.02Å; D723-R726 IonicContact OD1-NE 3.27Å; D723-R726 IonicContact OD2-CZ 2.74Å; D723-R726 IonicContact OD2-NE 2.99Å; D723-R726 PolarHBondContact OD2-NE 3.07Å; D723-R726 IonicContact OD2-NH1 3.55Å; D723-R726 IonicContact OD2-NH2 2.67Å; D723-R726 PolarHBondContact OD2-NH2 3.21Å; R726-A728 VanDerWaalsContact C-N 3.25Å; R726-A728 HydrophobicContact CB-CB 4.43Å; R726-A728 PolarHBondContact O-N 3.45Å
727	N	92.1	Very high	91.1	Very high	121 Å²	121	62.9 Å²	62.9	65%	0.647	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	43.8	-174.2	-64.9	-53.5	0	0	0	112.9	F722 D723 R724	F722-N727 HydrophobicContact CZ-CB 4.35Å; D723-N727 WeakPolarHBondContact O-CA 3.28Å; D723-N727 PolarHBondContact O-N 3.28Å; R724-N727 PolarHBondContact O-OD1 2.94Å
728	A	91.8	Very high	91.5	Very high	20 Å²	20	57 Å²	57	17%	0.165	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.6	-175	0	0	0	0	0	111.9	V688 D723 R726	V688-A728 HydrophobicContact CG2-CB 4.04Å; D723-A728 PolarHBondContact N-O 3.29Å; D723-A728 PolarHBondContact O-N 3.42Å; R726-A728 VanDerWaalsContact C-N 3.25Å; R726-A728 HydrophobicContact CB-CB 4.43Å; R726-A728 PolarHBondContact O-N 3.45Å
729	E	93.9	Very high	91.8	Very high	70 Å²	70	56.4 Å²	56.4	33%	0.327	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	131.2	168.8	-174.3	-174	169.9	0	0	109.4	D689 K733	D689-E729 VanDerWaalsContact CA-O 3.24Å; D689-E729 WeakPolarHBondContact CA-O 3.29Å; D689-E729 WeakPolarHBondContact CB-O 3.46Å; E729-K733 WeakPolarHBondContact OE1-CE 3.41Å; E729-K733 IonicContact OE1-NZ 3.97Å; E729-K733 PolarHBondContact OE1-NZ 3.06Å
730	I	94.2	Very high	92.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.261	C	S	.	.			trans	-63	142.1	-179.1	64.2	-178.5	0	0	0	112.3	Y706 F709 G710 G721 K733	Y706-I730 HydrophobicContact CD1-CG2 3.67Å; Y706-I730 HydrophobicContact CE1-CG2 3.54Å; Y706-I730 HydrophobicContact CG-CG2 4.26Å; F709-I730 HydrophobicContact CB-CD1 4.49Å; F709-I730 HydrophobicContact CD1-CD1 4.01Å; F709-I730 HydrophobicContact CD1-CG2 3.98Å; F709-I730 HydrophobicContact CE1-CG2 4.23Å; G710-I730 VanDerWaalsContact CA-CD1 3.43Å; G721-I730 WeakPolarHBondContact O-CG1 3.44Å; G721-I730 PolarHBondContact O-N 3.49Å; I730-K733 HydrophobicContact CD1-CG 4.29Å; I730-K733 HydrophobicContact CG1-CG 4.07Å
731	G	90.4	Very high	92.5	Very high	16 Å²	16	55.5 Å²	55.5	17%	0.165	27%	0.265	C	S	.	.	S	Bend	trans	-72.2	-47.2	180	0	0	0	0	0	113.9	V688 D689 Y702	V688-G731 PolarHBondContact O-N 2.79Å; V688-G731 VanDerWaalsContact O-N 3.08Å; D689-G731 VanDerWaalsContact C-CA 3.46Å; Y702-G731 PolarHBondContact OH-N 2.75Å
732	N	92.8	Very high	92.9	Very high	50 Å²	50	58.5 Å²	58.5	27%	0.267	28%	0.279	S	S	.	.			trans	-108.1	106.9	-179.3	-173.9	11	0	0	0	111	L697 Y702 D734	L697-N732 HydrophobicContact CD2-CB 3.87Å; Y702-N732 HydrophobicContact CE1-CB 4.2Å; Y702-N732 PolarHBondContact OH-N 3.48Å; N732-D734 PolarHBondContact OD1-N 3.23Å
733	K	89.8	Confident	93.1	Very high	55 Å²	55	57.9 Å²	57.9	24%	0.239	28%	0.283	C	S	.	.			trans	-83.2	-32.7	-178	-60.4	-163.4	-178.1	-156.9	0	113.5	P720 E729 I730	P720-K733 PolarHBondContact O-NZ 3.13Å; E729-K733 WeakPolarHBondContact OE1-CE 3.41Å; E729-K733 IonicContact OE1-NZ 3.97Å; E729-K733 PolarHBondContact OE1-NZ 3.06Å; I730-K733 HydrophobicContact CD1-CG 4.29Å; I730-K733 HydrophobicContact CG1-CG 4.07Å
734	D	91	Very high	93.3	Very high	124 Å²	124	59.5 Å²	59.5	66%	0.663	29%	0.29	S	S	*	.			trans	-106	80.7	-170.9	-68	-15.6	0	0	0	111.2	N732	N732-D734 PolarHBondContact OD1-N 3.23Å
735	I	93.3	Very high	93.7	Very high	11 Å²	11	54.4 Å²	54.4	6%	0.056	27%	0.274	C	S	.	.			trans	-95.2	130.9	-179.1	-52.8	-177.5	0	0	0	110.4	Y702 K703 Y707	Y702-I735 HydrophobicContact CD1-CD1 4.14Å; Y702-I735 HydrophobicContact CE1-CD1 4Å; K703-I735 HydrophobicContact CB-CG2 3.74Å; K703-I735 HydrophobicContact CD-CG2 4.33Å; K703-I735 HydrophobicContact CG-CG2 3.77Å; Y707-I735 WeakPolarHBondContact CD2-O 3.25Å; Y707-I735 VanDerWaalsContact CE2-O 3.29Å; Y707-I735 WeakPolarHBondContact CE2-O 3.38Å
736	K	93.2	Very high	93.9	Very high	173 Å²	173	53 Å²	53	75%	0.752	27%	0.266	S	S	*	.			trans	-125.5	141.1	173.3	-63.3	-179.7	-175.3	174	0	110.8	K703	K703-K736 WeakPolarHBondContact CE-O 3.15Å; K703-K736 PolarHBondContact NZ-O 3.14Å
737	F	93.9	Very high	94	Very high	29 Å²	29	57.8 Å²	57.8	13%	0.127	29%	0.29	C	S	.	.			trans	-98.2	143.6	173.3	-65.6	-66.5	0	0	0	111.3	K703 M704 Y707 L740 Y754	K703-F737 HydrophobicContact CB-CE1 3.75Å; K703-F737 HydrophobicContact CB-CZ 4.17Å; K703-F737 VanDerWaalsContact O-CZ 3.25Å; K703-F737 WeakPolarHBondContact O-CZ 3.48Å; M704-F737 HydrophobicContact CG-CE1 4.15Å; M704-F737 HydrophobicContact CG-CZ 4.12Å; Y707-F737 HydrophobicContact CD1-CE2 4.14Å; Y707-F737 AromaticContact CD2-CD2 3.7Å; Y707-F737 HydrophobicContact CD2-CD2 3.7Å; Y707-F737 AromaticContact CD2-CE2 3.35Å; Y707-F737 HydrophobicContact CD2-CE2 3.35Å; Y707-F737 HydrophobicContact CD2-CZ 4.28Å; Y707-F737 AromaticContact CE2-CD2 3.84Å; Y707-F737 HydrophobicContact CE2-CD2 3.84Å; Y707-F737 AromaticContact CE2-CE2 3.98Å; Y707-F737 HydrophobicContact CE2-CE2 3.98Å; Y707-F737 HydrophobicContact CG-CD2 4.15Å; Y707-F737 AromaticContact CG-CE2 3.45Å; Y707-F737 HydrophobicContact CG-CE2 3.45Å; Y707-F737 VanDerWaalsContact CG-CE2 3.45Å; Y707-F737 HydrophobicContact CG-CZ 4.35Å; F737-L740 HydrophobicContact CB-CB 4.06Å; F737-L740 WeakPolarHBondContact CB-O 3.4Å; F737-L740 HydrophobicContact CD1-CB 3.95Å; F737-L740 HydrophobicContact CD1-CD1 4.23Å; F737-L740 HydrophobicContact CD1-CG 4.5Å; F737-L740 HydrophobicContact CD2-CB 4.47Å; F737-L740 HydrophobicContact CE1-CD1 4.17Å; F737-L740 HydrophobicContact CG-CB 3.92Å; F737-Y754 HydrophobicContact CE2-CD1 4.16Å; F737-Y754 AromaticContact CE2-CE1 3.67Å; F737-Y754 HydrophobicContact CE2-CE1 3.67Å; F737-Y754 HydrophobicContact CZ-CE1 4.14Å
738	K	92.5	Very high	94	Very high	121 Å²	121	54.6 Å²	54.6	53%	0.526	27%	0.271	S	S	.	.	S	Bend	trans	-96.8	-49	170.8	-174	177.8	174.7	-169.6	0	110.3	E626 E760	E626-K738 WeakPolarHBondContact OE1-CA 3.49Å; E626-K738 PolarHBondContact OE1-N 3.45Å; K738-E760 WeakPolarHBondContact CE-OE1 3.14Å; K738-E760 IonicContact NZ-OE1 3.74Å
739	H	94	Very high	94.2	Very high	23 Å²	23	56.4 Å²	56.4	11%	0.106	27%	0.274	C	S	.	.	S	Bend	trans	-105.9	-10.4	-171	-61.6	-65.8	0	0	0	114.3	E626 Y630 K757	E626-H739 HydrophobicContact CG-CB 4.45Å; E626-H739 PolarHBondContact OE1-N 3Å; Y630-H739 HydrophobicContact CD1-CB 4.4Å; Y630-H739 AromaticContact CD1-CG 3.96Å; Y630-H739 AromaticContact CD1-ND1 3.84Å; Y630-H739 HydrophobicContact CD2-CB 3.48Å; Y630-H739 VanDerWaalsContact CD2-CB 3.48Å; Y630-H739 AromaticContact CD2-CG 3.96Å; Y630-H739 AromaticContact CE1-ND1 3.77Å; Y630-H739 HydrophobicContact CE2-CB 3.81Å; Y630-H739 HydrophobicContact CG-CB 3.79Å; Y630-H739 AromaticContact CG-CG 3.78Å; Y630-H739 AromaticContact CZ-ND1 3.97Å; H739-K757 VanDerWaalsContact O-CB 3.27Å; H739-K757 WeakPolarHBondContact O-CB 3.05Å; H739-K757 WeakPolarHBondContact O-CG 3.23Å; H739-K757 PolarHBondContact O-N 3.39Å
740	L	95.4	Very high	94.2	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	157	174.4	-63.5	-179.3	0	0	0	112.2	M633 L700 M704 F737 V756 K757	M633-L740 HydrophobicContact CE-CD2 4.21Å; L700-L740 HydrophobicContact CD1-CD1 3.76Å; M704-L740 HydrophobicContact CG-CD1 3.93Å; M704-L740 HydrophobicContact SD-CD1 3.7Å; F737-L740 HydrophobicContact CB-CB 4.06Å; F737-L740 WeakPolarHBondContact CB-O 3.4Å; F737-L740 HydrophobicContact CD1-CB 3.95Å; F737-L740 HydrophobicContact CD1-CD1 4.23Å; F737-L740 HydrophobicContact CD1-CG 4.5Å; F737-L740 HydrophobicContact CD2-CB 4.47Å; F737-L740 HydrophobicContact CE1-CD1 4.17Å; F737-L740 HydrophobicContact CG-CB 3.92Å; L740-V756 HydrophobicContact CD2-CB 4.35Å; L740-V756 HydrophobicContact CD2-CG2 3.89Å; L740-K757 VanDerWaalsContact O-CE 3.27Å; L740-K757 WeakPolarHBondContact O-CE 3.23Å; L740-K757 PolarHBondContact O-NZ 2.99Å; L740-K757 VanDerWaalsContact O-NZ 3.16Å
741	E	96.1	Very high	94.4	Very high	86 Å²	86	53.1 Å²	53.1	40%	0.402	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.6	163.4	56.3	-167.8	-166.2	0	0	110.6	A743 Y754 K755 K757	E741-A743 PolarHBondContact O-N 3.01Å; E741-Y754 CarbonylContact O-C 3.56Å; E741-Y754 WeakPolarHBondContact O-CA 3.31Å; E741-K755 HydrophobicContact CG-CB 3.94Å; E741-K755 PolarHBondContact N-O 3.13Å; E741-K755 PolarHBondContact O-N 3.45Å; E741-K757 HydrophobicContact CG-CG 4.27Å; E741-K757 VanDerWaalsContact OE2-CE 3.27Å; E741-K757 WeakPolarHBondContact OE2-CE 3.41Å
742	E	97.3	Very high	94.7	Very high	63 Å²	63	52.5 Å²	52.5	29%	0.294	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	123.7	173.4	-176.7	173.3	-145	0	0	109	Y707 T745 R752 Y754	Y707-E742 HydrophobicContact CD1-CB 4.31Å; Y707-E742 WeakPolarHBondContact CD1-OE2 3.29Å; Y707-E742 HydrophobicContact CE1-CB 4.11Å; Y707-E742 VanDerWaalsContact CE1-OE2 3.31Å; Y707-E742 WeakPolarHBondContact CE1-OE2 3.45Å; E742-T745 PolarHBondContact OE1-OG1 3.06Å; E742-R752 IonicContact OE1-CZ 2.7Å; E742-R752 IonicContact OE1-NE 3.13Å; E742-R752 IonicContact OE1-NH2 3.32Å; E742-R752 PolarHBondContact OE1-NH2 2.62Å; E742-Y754 HydrophobicContact CB-CD1 4.25Å; E742-Y754 HydrophobicContact CB-CE1 3.93Å; E742-Y754 HydrophobicContact CG-CE1 4.3Å
743	A	97	Very high	95	Very high	38 Å²	38	50.1 Å²	50.1	31%	0.314	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-40.3	-178.6	0	0	0	0	0	111.8	W574 Y640 E741 I753 K755	W574-A743 HydrophobicContact CH2-CB 3.84Å; Y640-A743 HydrophobicContact CE1-CB 4.24Å; E741-A743 PolarHBondContact O-N 3.01Å; A743-I753 WeakPolarHBondContact CB-O 3.42Å; A743-I753 PolarHBondContact N-O 3.31Å; A743-K755 HydrophobicContact CB-CB 4.09Å
744	F	97.9	Very high	95.4	Very high	34 Å²	34	47.5 Å²	47.5	15%	0.149	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	144.7	177.6	179.4	-95.6	0	0	0	110.4	E570 A571 W574 I753	E570-F744 HydrophobicContact CG-CZ 4Å; A571-F744 HydrophobicContact CB-CD1 4.2Å; A571-F744 HydrophobicContact CB-CE1 3.77Å; W574-F744 HydrophobicContact CB-CD2 4.31Å; W574-F744 HydrophobicContact CB-CE2 4.29Å; W574-F744 HydrophobicContact CB-CG 4.47Å; W574-F744 HydrophobicContact CB-CZ 4.45Å; W574-F744 AromaticContact CD1-CD2 3.55Å; W574-F744 AromaticContact CD1-CE2 3.91Å; W574-F744 HydrophobicContact CD2-CB 3.74Å; W574-F744 AromaticContact CD2-CD2 3.93Å; W574-F744 HydrophobicContact CD2-CD2 3.93Å; W574-F744 AromaticContact CD2-CG 3.81Å; W574-F744 HydrophobicContact CD2-CG 3.81Å; W574-F744 AromaticContact CE2-CD2 3.99Å; W574-F744 HydrophobicContact CE3-CB 3.81Å; W574-F744 HydrophobicContact CE3-CG 4.17Å; W574-F744 HydrophobicContact CG-CB 4.38Å; W574-F744 AromaticContact CG-CD2 3.68Å; W574-F744 HydrophobicContact CG-CD2 3.68Å; W574-F744 HydrophobicContact CG-CE2 4.07Å; W574-F744 AromaticContact CG-CG 3.93Å; W574-F744 HydrophobicContact CG-CG 3.93Å; W574-F744 HydrophobicContact CH2-CB 4.01Å; W574-F744 HydrophobicContact CZ2-CB 3.91Å; W574-F744 HydrophobicContact CZ3-CB 3.96Å; W574-F744 AromaticContact NE1-CD2 3.72Å; F744-I753 HydrophobicContact CB-CB 4.21Å; F744-I753 HydrophobicContact CB-CD1 4.3Å; F744-I753 HydrophobicContact CD1-CD1 4Å; F744-I753 HydrophobicContact CD1-CG1 4.41Å; F744-I753 PolarHBondContact N-O 3.08Å; F744-I753 VanDerWaalsContact N-O 3.11Å; F744-I753 PolarHBondContact O-N 3.33Å
745	T	97.3	Very high	95.7	Very high	30 Å²	30	45.5 Å²	45.5	18%	0.184	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	130	170.1	-73.1	0	0	0	0	106.7	E742 W749 R752	E742-T745 PolarHBondContact OE1-OG1 3.06Å; T745-W749 HydrophobicContact CG2-CB 3.95Å; T745-W749 HydrophobicContact CG2-CD2 4.27Å; T745-W749 HydrophobicContact CG2-CG 3.67Å; T745-R752 HydrophobicContact CG2-CG 4.19Å; T745-R752 PolarHBondContact OG1-NE 2.97Å
746	S	96.3	Very high	95.8	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.021	21%	0.214	C	C	.	.			trans	-65.6	167.7	-177.4	79.9	0	0	0	0	112.5	D567 H748 W749 L750 V751	D567-S746 WeakPolarHBondContact CB-OG 3.24Å; D567-S746 VanDerWaalsContact CG-OG 3.31Å; D567-S746 VanDerWaalsContact OD1-CB 3.26Å; D567-S746 WeakPolarHBondContact OD1-CB 3.4Å; D567-S746 PolarHBondContact OD1-OG 3.26Å; S746-H748 VanDerWaalsContact C-N 3.31Å; S746-H748 PolarHBondContact O-N 3.34Å; S746-W749 PolarHBondContact O-N 2.99Å; S746-W749 PolarHBondContact OG-N 3.08Å; S746-L750 PolarHBondContact OG-N 3.49Å; S746-V751 PolarHBondContact N-O 3.23Å; S746-V751 PolarHBondContact OG-N 3.06Å
747	E	94	Very high	95.9	Very high	146 Å²	146	40.6 Å²	40.6	68%	0.682	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-47.7	-177.9	-175.2	176.9	-168.3	0	0	112.9	D567 E570 W749	D567-E747 PolarHBondContact OD1-N 3.2Å; E570-E747 PolarHBondContact OE2-N 3.2Å; E747-W749 VanDerWaalsContact C-N 3.34Å
748	H	92.9	Very high	95.8	Very high	53 Å²	53	48.1 Å²	48.1	25%	0.245	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	14.6	-178.6	-53.7	85.8	0	0	0	113.4	L565 D567 V648 I649 S746 L750	L565-H748 WeakPolarHBondContact CD2-NE2 3.46Å; D567-H748 IonicContact OD1-CG 2.93Å; D567-H748 PolarHBondContact OD1-N 3.06Å; D567-H748 IonicContact OD1-ND1 3.9Å; D567-H748 PolarHBondContact OD1-ND1 3.18Å; D567-H748 IonicContact OD2-CG 3.36Å; D567-H748 IonicContact OD2-ND1 3.8Å; D567-H748 PolarHBondContact OD2-ND1 3.14Å; V648-H748 WeakPolarHBondContact CB-O 3.39Å; I649-H748 HydrophobicContact CG2-CB 3.85Å; S746-H748 VanDerWaalsContact C-N 3.31Å; S746-H748 PolarHBondContact O-N 3.34Å; H748-L750 PolarHBondContact O-N 3.19Å
749	W	94.7	Very high	95.5	Very high	59 Å²	59	48.2 Å²	48.2	22%	0.223	23%	0.23	C	C	.	.	S	Bend	trans	57.1	26.5	-177.6	-59.8	15	0	0	0	113.6	F645 V648 F709 M712 T745 S746 E747	F645-W749 HydrophobicContact CD1-CB 4.43Å; F645-W749 WeakPolarHBondContact CD1-O 3.43Å; F645-W749 VanDerWaalsContact O-O 3.04Å; V648-W749 HydrophobicContact CG2-CB 3.96Å; V648-W749 HydrophobicContact CG2-CD2 4.36Å; V648-W749 HydrophobicContact CG2-CE3 4.23Å; V648-W749 HydrophobicContact CG2-CG 4.29Å; F709-W749 HydrophobicContact CB-CZ3 4.32Å; F709-W749 AromaticContact CD2-CE3 3.91Å; F709-W749 HydrophobicContact CD2-CE3 3.91Å; F709-W749 AromaticContact CD2-CZ3 3.75Å; F709-W749 HydrophobicContact CD2-CZ3 3.75Å; M712-W749 HydrophobicContact CB-CH2 3.92Å; M712-W749 HydrophobicContact CB-CZ3 4.05Å; M712-W749 HydrophobicContact CG-CH2 4.04Å; M712-W749 HydrophobicContact CG-CZ3 4.21Å; M712-W749 HydrophobicContact SD-CH2 4.08Å; M712-W749 HydrophobicContact SD-CZ2 4.08Å; T745-W749 HydrophobicContact CG2-CB 3.95Å; T745-W749 HydrophobicContact CG2-CD2 4.27Å; T745-W749 HydrophobicContact CG2-CG 3.67Å; S746-W749 PolarHBondContact O-N 2.99Å; S746-W749 PolarHBondContact OG-N 3.08Å; E747-W749 VanDerWaalsContact C-N 3.34Å
750	L	94.9	Very high	95	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	25%	0.247	C	C	.	.			trans	-72.9	-45.1	-178.7	-164.6	156.2	0	0	0	111.1	L553 D567 F568 I644 F645 I649 S746 H748	L553-L750 HydrophobicContact CD1-CD1 3.51Å; D567-L750 HydrophobicContact CB-CB 3.59Å; D567-L750 HydrophobicContact CB-CD1 4.26Å; D567-L750 HydrophobicContact CB-CG 4.33Å; F568-L750 HydrophobicContact CD1-CD2 4.24Å; F568-L750 HydrophobicContact CD2-CD2 4.04Å; F568-L750 HydrophobicContact CE1-CD2 3.76Å; F568-L750 HydrophobicContact CE2-CD1 4.15Å; F568-L750 HydrophobicContact CE2-CD2 3.53Å; F568-L750 HydrophobicContact CG-CD2 4.37Å; F568-L750 HydrophobicContact CZ-CD2 3.38Å; I644-L750 CarbonylContact C-O 3.48Å; I644-L750 VanDerWaalsContact CA-O 3.32Å; I644-L750 WeakPolarHBondContact CA-O 3.4Å; I644-L750 HydrophobicContact CG2-CD2 3.96Å; F645-L750 PolarHBondContact N-O 3.43Å; F645-L750 WeakPolarHBondContact O-CA 3.37Å; I649-L750 HydrophobicContact CD1-CD1 3.61Å; I649-L750 HydrophobicContact CD1-CG 4.46Å; S746-L750 PolarHBondContact OG-N 3.49Å; H748-L750 PolarHBondContact O-N 3.19Å
751	V	96.9	Very high	94.7	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.7	178.2	-173	0	0	0	0	109.1	F568 A571 L642 I644 S746 I753	F568-V751 HydrophobicContact CD1-CG2 3.95Å; F568-V751 HydrophobicContact CE1-CG2 4.35Å; F568-V751 HydrophobicContact CG-CG2 4.44Å; A571-V751 HydrophobicContact CB-CB 3.57Å; A571-V751 HydrophobicContact CB-CG1 3.49Å; A571-V751 VanDerWaalsContact CB-CG1 3.49Å; A571-V751 HydrophobicContact CB-CG2 4.08Å; L642-V751 HydrophobicContact CD1-CG1 4.04Å; L642-V751 HydrophobicContact CD2-CG1 4.02Å; L642-V751 HydrophobicContact CG-CG1 3.89Å; I644-V751 HydrophobicContact CG1-CG2 4.19Å; S746-V751 PolarHBondContact N-O 3.23Å; S746-V751 PolarHBondContact OG-N 3.06Å; V751-I753 HydrophobicContact CG1-CG1 4.45Å
752	R	97.6	Very high	94.2	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.2	177.5	-47.4	-172.1	73.3	173.7	1.1	109.9	I643 S705 Y707 E742 T745 Y754	I643-R752 HydrophobicContact CD1-CB 4.37Å; I643-R752 HydrophobicContact CG1-CB 4.03Å; I643-R752 PolarHBondContact N-O 2.84Å; I643-R752 PolarHBondContact O-N 3.33Å; S705-R752 PolarHBondContact O-NH1 3.1Å; Y707-R752 PolarHBondContact O-NH1 3.21Å; Y707-R752 PolarHBondContact O-NH2 3.45Å; E742-R752 IonicContact OE1-CZ 2.7Å; E742-R752 IonicContact OE1-NE 3.13Å; E742-R752 IonicContact OE1-NH2 3.32Å; E742-R752 PolarHBondContact OE1-NH2 2.62Å; T745-R752 HydrophobicContact CG2-CG 4.19Å; T745-R752 PolarHBondContact OG1-NE 2.97Å; R752-Y754 HydrophobicContact CB-CE2 3.75Å; R752-Y754 PolarHBondContact NE-OH 3.41Å; R752-Y754 VanDerWaalsContact NE-OH 3.09Å; R752-Y754 PolarHBondContact NH2-OH 2.9Å
753	I	98.2	Very high	93.5	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120	-178.2	-52.2	174	0	0	0	108.3	A571 W574 L575 Y640 V641 L642 A743 F744 V751	A571-I753 HydrophobicContact CB-CD1 4.3Å; W574-I753 HydrophobicContact CE3-CD1 3.7Å; W574-I753 HydrophobicContact CZ3-CB 4.44Å; W574-I753 HydrophobicContact CZ3-CD1 3.98Å; W574-I753 HydrophobicContact CZ3-CG2 4.07Å; L575-I753 HydrophobicContact CB-CD1 4.39Å; L575-I753 HydrophobicContact CD1-CD1 4.22Å; L575-I753 HydrophobicContact CD1-CG2 4.24Å; Y640-I753 HydrophobicContact CD1-CG2 3.91Å; Y640-I753 HydrophobicContact CG-CG2 4.48Å; V641-I753 WeakPolarHBondContact O-CA 3.35Å; L642-I753 HydrophobicContact CD1-CD1 4.46Å; L642-I753 HydrophobicContact CD1-CG1 4.28Å; L642-I753 HydrophobicContact CG-CG1 4.33Å; A743-I753 WeakPolarHBondContact CB-O 3.42Å; A743-I753 PolarHBondContact N-O 3.31Å; F744-I753 HydrophobicContact CB-CB 4.21Å; F744-I753 HydrophobicContact CB-CD1 4.3Å; F744-I753 HydrophobicContact CD1-CD1 4Å; F744-I753 HydrophobicContact CD1-CG1 4.41Å; F744-I753 PolarHBondContact N-O 3.08Å; F744-I753 VanDerWaalsContact N-O 3.11Å; F744-I753 PolarHBondContact O-N 3.33Å; V751-I753 HydrophobicContact CG1-CG1 4.45Å
754	Y	98.1	Very high	92.7	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.2	176.4	-65.9	-85.4	0	0	0	110.1	Y640 V641 I643 M704 Y707 F737 E741 E742 R752	Y640-Y754 CarbonylContact C-O 3.52Å; Y640-Y754 VanDerWaalsContact CA-O 3.27Å; Y640-Y754 WeakPolarHBondContact CA-O 3.37Å; V641-Y754 PolarHBondContact N-O 3Å; V641-Y754 PolarHBondContact O-N 3.06Å; I643-Y754 HydrophobicContact CD1-CE2 3.99Å; I643-Y754 HydrophobicContact CG1-CD2 4.38Å; I643-Y754 HydrophobicContact CG1-CE2 4.05Å; M704-Y754 HydrophobicContact CB-CD2 4.18Å; M704-Y754 HydrophobicContact CB-CE2 3.89Å; M704-Y754 HydrophobicContact CG-CD2 4.2Å; M704-Y754 HydrophobicContact CG-CE2 4.34Å; M704-Y754 PolarHBondContact O-OH 3.44Å; M704-Y754 HydrophobicContact SD-CD2 4.32Å; Y707-Y754 HydrophobicContact CD1-CE1 4.37Å; F737-Y754 HydrophobicContact CE2-CD1 4.16Å; F737-Y754 AromaticContact CE2-CE1 3.67Å; F737-Y754 HydrophobicContact CE2-CE1 3.67Å; F737-Y754 HydrophobicContact CZ-CE1 4.14Å; E741-Y754 CarbonylContact O-C 3.56Å; E741-Y754 WeakPolarHBondContact O-CA 3.31Å; E742-Y754 HydrophobicContact CB-CD1 4.25Å; E742-Y754 HydrophobicContact CB-CE1 3.93Å; E742-Y754 HydrophobicContact CG-CE1 4.3Å; R752-Y754 HydrophobicContact CB-CE2 3.75Å; R752-Y754 PolarHBondContact NE-OH 3.41Å; R752-Y754 VanDerWaalsContact NE-OH 3.09Å; R752-Y754 PolarHBondContact NH2-OH 2.9Å
755	K	97.8	Very high	92	Very high	83 Å²	83	76.6 Å²	76.6	36%	0.361	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.4	172.7	-175	176.1	-178.4	179	0	110	Y640 E741 A743	Y640-K755 HydrophobicContact CD1-CB 4.12Å; Y640-K755 HydrophobicContact CD1-CG 4.38Å; Y640-K755 HydrophobicContact CE1-CB 3.98Å; Y640-K755 HydrophobicContact CE1-CD 4.18Å; Y640-K755 HydrophobicContact CE1-CG 4.02Å; E741-K755 HydrophobicContact CG-CB 3.94Å; E741-K755 PolarHBondContact N-O 3.13Å; E741-K755 PolarHBondContact O-N 3.45Å; A743-K755 HydrophobicContact CB-CB 4.09Å
756	V	96.9	Very high	91.1	Very high	13 Å²	13	83.3 Å²	83.3	8%	0.079	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.4	175.1	-176	0	0	0	0	108.9	Y630 M633 V638 D639 V641 L740	Y630-V756 HydrophobicContact CD2-CG1 3.93Å; Y630-V756 HydrophobicContact CE2-CG1 3.57Å; M633-V756 HydrophobicContact SD-CG2 3.9Å; V638-V756 HydrophobicContact CG1-CG2 4.06Å; V638-V756 WeakPolarHBondContact O-CB 3.39Å; D639-V756 PolarHBondContact O-N 3.24Å; V641-V756 HydrophobicContact CG2-CG2 3.97Å; L740-V756 HydrophobicContact CD2-CB 4.35Å; L740-V756 HydrophobicContact CD2-CG2 3.89Å
757	K	94.3	Very high	90.4	Very high	68 Å²	68	89 Å²	89	30%	0.296	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-72.3	149.9	179.6	-67.8	179	-179.5	162.7	0	110.9	Y630 H739 L740 E741	Y630-K757 WeakPolarHBondContact CE2-O 3.5Å; Y630-K757 PolarHBondContact OH-O 3.07Å; H739-K757 VanDerWaalsContact O-CB 3.27Å; H739-K757 WeakPolarHBondContact O-CB 3.05Å; H739-K757 WeakPolarHBondContact O-CG 3.23Å; H739-K757 PolarHBondContact O-N 3.39Å; L740-K757 VanDerWaalsContact O-CE 3.27Å; L740-K757 WeakPolarHBondContact O-CE 3.23Å; L740-K757 PolarHBondContact O-NZ 2.99Å; L740-K757 VanDerWaalsContact O-NZ 3.16Å; E741-K757 HydrophobicContact CG-CG 4.27Å; E741-K757 VanDerWaalsContact OE2-CE 3.27Å; E741-K757 WeakPolarHBondContact OE2-CE 3.41Å
758	K	90.9	Very high	89.8	Confident	186 Å²	186	91.5 Å²	91.5	81%	0.809	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-64	162.2	166.8	-61.3	-173.6	179.9	-174.8	0	110.1
759	L	86.6	Confident	89.2	Confident	124 Å²	124	95.8 Å²	95.8	65%	0.649	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-51.1	145.6	175.2	-71.8	169.7	0	0	0	110.8	Y630 N761	Y630-L759 HydrophobicContact CE1-CD2 4.24Å; L759-N761 PolarHBondContact O-N 3.11Å
760	E	84.4	Confident	88.5	Confident	98 Å²	98	103.7 Å²	103.7	46%	0.458	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-56.1	133.7	174	-68.5	-173.6	-177.4	0	0	109.1	K738 R762	K738-E760 WeakPolarHBondContact CE-OE1 3.14Å; K738-E760 IonicContact NZ-OE1 3.74Å; E760-R762 PolarHBondContact O-N 2.85Å; E760-R762 VanDerWaalsContact O-N 3.09Å
761	N	88.4	Confident	87.3	Confident	153 Å²	153	107.1 Å²	107.1	82%	0.818	52%	0.516	S	S	*	.	S	Bend	trans	-59.2	-27.4	-177	-172.5	29.5	0	0	0	112.1	L759	L759-N761 PolarHBondContact O-N 3.11Å
762	R	85.9	Confident	86.2	Confident	206 Å²	206	113 Å²	113	78%	0.777	55%	0.552	S	S	*	*	S	Bend	trans	-152.5	141.9	178.4	-58.2	-177.6	-177.5	-175.9	-2.3	109.6	E760	E760-R762 PolarHBondContact O-N 2.85Å; E760-R762 VanDerWaalsContact O-N 3.09Å
763	E	82.4	Confident	84.8	Confident	192 Å²	192	118 Å²	118	90%	0.897	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-69.4	129.1	172	-65.9	175.8	-176.8	0	0	110.7
764	A	80.1	Confident	83.1	Confident	75 Å²	75	123.8 Å²	123.8	62%	0.62	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-87.8	150.4	172.7	0	0	0	0	0	110.7	D766	A764-D766 PolarHBondContact O-N 2.96Å
765	L	82.9	Confident	81.5	Confident	116 Å²	116	133.2 Å²	133.2	61%	0.607	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-70.1	126	170.4	-67.5	168.3	0	0	0	109.7	H767 L769	L765-H767 WeakPolarHBondContact CB-O 3.4Å; L765-H767 PolarHBondContact O-N 3.48Å; L765-L769 HydrophobicContact CD1-CD2 3.89Å; L765-L769 HydrophobicContact CD1-CG 4.27Å
766	D	79.6	Confident	80.3	Confident	172 Å²	172	138 Å²	138	92%	0.92	68%	0.682	S	S	*	*	S	Bend	trans	-61.6	-25	176.7	-67.6	-33.2	0	0	0	113.1	A764	A764-D766 PolarHBondContact O-N 2.96Å
767	H	81.6	Confident	79.3	Confident	123 Å²	123	146.9 Å²	146.9	57%	0.569	72%	0.719	S	S	*	*	S	Bend	trans	-115.7	149.4	179.5	62.7	-81.1	0	0	0	111.2	L765 L769	L765-H767 WeakPolarHBondContact CB-O 3.4Å; L765-H767 PolarHBondContact O-N 3.48Å; H767-L769 PolarHBondContact O-N 2.99Å
768	K	80.8	Confident	78.8	Confident	197 Å²	197	148.7 Å²	148.7	86%	0.857	73%	0.725	S	S	*	*			trans	-63.7	139.1	170.2	-68.4	176.4	-177.9	165.7	0	109	R770	K768-R770 PolarHBondContact O-N 3.11Å
769	L	81	Confident	78.3	Confident	143 Å²	143	144.7 Å²	144.7	75%	0.749	72%	0.716	S	S	*	*			trans	-45.9	126.7	175.7	-74.6	160	0	0	0	111.3	L765 H767 S771	L765-L769 HydrophobicContact CD1-CD2 3.89Å; L765-L769 HydrophobicContact CD1-CG 4.27Å; H767-L769 PolarHBondContact O-N 2.99Å; L769-S771 PolarHBondContact O-N 3.27Å
770	R	79.1	Confident	78	Confident	226 Å²	226	143.1 Å²	143.1	85%	0.853	72%	0.715	S	S	*	*			trans	-57.2	120.2	-179.2	-172.7	176.8	-179.4	176.7	0.7	110.3	K768 V772	K768-R770 PolarHBondContact O-N 3.11Å; R770-V772 HydrophobicContact CG-CG2 4.29Å
771	S	70.6	Confident	77.9	Confident	72 Å²	72	144.6 Å²	144.6	50%	0.503	72%	0.721	S	S	.	*			trans	-108.8	107	175.3	-171.8	0	0	0	0	109.7	L769 V773	L769-S771 PolarHBondContact O-N 3.27Å; S771-V773 PolarHBondContact OG-O 3.23Å
772	V	72.9	Confident	77.9	Confident	125 Å²	125	143.7 Å²	143.7	76%	0.758	71%	0.709	S	S	*	*			trans	-83.5	-16	179.9	-176.7	0	0	0	0	112	R770	R770-V772 HydrophobicContact CG-CG2 4.29Å
773	V	69.1	Low	78	Confident	105 Å²	105	137.8 Å²	137.8	64%	0.636	70%	0.696	S	S	*	*	S	Bend	trans	-115.9	138.2	-178.2	-174.9	0	0	0	0	110.3	S771 R775	S771-V773 PolarHBondContact OG-O 3.23Å; V773-R775 PolarHBondContact O-N 2.81Å
774	S	61.3	Low	78.2	Confident	122 Å²	122	133.2 Å²	133.2	85%	0.853	69%	0.691	S	S	*	*			trans	-55.8	103.7	169.8	168.4	0	0	0	0	110.2
775	R	64.9	Low	78.5	Confident	199 Å²	199	139.5 Å²	139.5	75%	0.751	70%	0.704	S	S	*	*			trans	-97.9	119.3	175.7	-75.4	-178.8	174	179	0.9	109.1	V773 K777	V773-R775 PolarHBondContact O-N 2.81Å; R775-K777 PolarHBondContact O-N 2.67Å; R775-K777 VanDerWaalsContact O-N 3.09Å
776	Q	73.1	Confident	78.3	Confident	183 Å²	183	140.8 Å²	140.8	86%	0.855	70%	0.701	S	S	*	*			trans	-59.8	113.5	162.8	-72.5	-175	-14.3	0	0	109.1	Y778	Q776-Y778 PolarHBondContact O-N 3.24Å
777	K	75.5	Confident	78.6	Confident	199 Å²	199	140.8 Å²	140.8	87%	0.865	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-69.5	117.8	-179.9	-166.7	177.5	-178.1	-176.8	0	108.9	R775 T779	R775-K777 PolarHBondContact O-N 2.67Å; R775-K777 VanDerWaalsContact O-N 3.09Å; K777-T779 PolarHBondContact O-N 2.63Å
778	Y	83.1	Confident	78.6	Confident	106 Å²	106	142.4 Å²	142.4	42%	0.416	69%	0.694	S	S	.	*	P	Polyproline II helix	trans	-65	126.3	178.5	172.8	-102.7	0	0	0	110.4	Q776 K781 H790	Q776-Y778 PolarHBondContact O-N 3.24Å; Y778-K781 PolarHBondContact OH-N 3.12Å; Y778-H790 HydrophobicContact CD2-CB 4.31Å; Y778-H790 AromaticContact CD2-CD2 3.48Å; Y778-H790 VanDerWaalsContact CD2-CD2 3.48Å; Y778-H790 WeakPolarHBondContact CD2-CD2 3.48Å; Y778-H790 HydrophobicContact CE1-CB 4Å; Y778-H790 HydrophobicContact CE2-CB 3.46Å; Y778-H790 VanDerWaalsContact CE2-CB 3.46Å; Y778-H790 AromaticContact CE2-CD2 3.34Å; Y778-H790 WeakPolarHBondContact CE2-CD2 3.23Å; Y778-H790 AromaticContact CE2-CG 3.38Å; Y778-H790 AromaticContact CZ-CG 3.82Å; Y778-H790 VanDerWaalsContact OH-CB 3.23Å; Y778-H790 WeakPolarHBondContact OH-CB 3.34Å
779	T	81.4	Confident	78.8	Confident	102 Å²	102	135.8 Å²	135.8	63%	0.626	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-83.6	129.3	172.2	52	0	0	0	0	110	K777 K781	K777-T779 PolarHBondContact O-N 2.63Å; T779-K781 PolarHBondContact O-N 3.28Å; T779-K781 VanDerWaalsContact O-N 3.12Å
780	S	79.5	Confident	78.9	Confident	91 Å²	91	134.3 Å²	134.3	64%	0.636	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-62.2	116.4	179.2	-179.2	0	0	0	0	110.3	K782	S780-K782 VanDerWaalsContact C-N 3.27Å; S780-K782 WeakPolarHBondContact OG-CB 3.24Å; S780-K782 PolarHBondContact OG-N 3.21Å
781	K	83	Confident	79.2	Confident	130 Å²	130	128.7 Å²	128.7	57%	0.565	66%	0.656	S	S	*	*			trans	-93.7	18.7	168.3	-61.7	-173.2	179.3	-176.1	0	112.2	Y778 T779	Y778-K781 PolarHBondContact OH-N 3.12Å; T779-K781 PolarHBondContact O-N 3.28Å; T779-K781 VanDerWaalsContact O-N 3.12Å
782	K	88.1	Confident	79.6	Confident	133 Å²	133	133.8 Å²	133.8	58%	0.578	67%	0.669	S	S	*	*			trans	-85.8	121.9	180	-165.8	-175.4	-73.9	178.7	0	108.9	S780 R786	S780-K782 VanDerWaalsContact C-N 3.27Å; S780-K782 WeakPolarHBondContact OG-CB 3.24Å; S780-K782 PolarHBondContact OG-N 3.21Å; K782-R786 WeakPolarHBondContact CA-O 3.06Å
783	T	88.8	Confident	80.2	Confident	82 Å²	82	135 Å²	135	50%	0.503	67%	0.672	S	S	.	*			trans	-119.3	167.8	172.1	65.9	0	0	0	0	109.6	K785 R786	T783-K785 PolarHBondContact O-N 3.41Å; T783-K785 VanDerWaalsContact O-N 3.14Å; T783-R786 PolarHBondContact N-O 3.12Å; T783-R786 CarbonylContact O-C 3.3Å; T783-R786 PolarHBondContact O-N 3.15Å; T783-R786 WeakPolarHBondContact OG1-CB 3.22Å; T783-R786 PolarHBondContact OG1-N 2.98Å
784	A	86.5	Confident	80.8	Confident	96 Å²	96	134.7 Å²	134.7	79%	0.793	66%	0.662	S	S	*	*	S	Bend	trans	-52.9	-35.7	175.8	0	0	0	0	0	112.3	K787	A784-K787 WeakPolarHBondContact O-CE 3.16Å
785	K	86.2	Confident	81.6	Confident	207 Å²	207	136.4 Å²	136.4	90%	0.9	66%	0.661	S	S	*	*	S	Bend	trans	-82.6	-35.2	175.5	-168.4	172.7	-176.8	174.3	0	113.5	T783	T783-K785 PolarHBondContact O-N 3.41Å; T783-K785 VanDerWaalsContact O-N 3.14Å
786	R	78.7	Confident	82.2	Confident	144 Å²	144	132.8 Å²	132.8	54%	0.543	66%	0.661	S	S	.	*			trans	-110.4	86.1	-177.8	-171.8	-178.3	173	170.6	0.4	110.9	K782 T783 R788	K782-R786 WeakPolarHBondContact CA-O 3.06Å; T783-R786 PolarHBondContact N-O 3.12Å; T783-R786 CarbonylContact O-C 3.3Å; T783-R786 PolarHBondContact O-N 3.15Å; T783-R786 WeakPolarHBondContact OG1-CB 3.22Å; T783-R786 PolarHBondContact OG1-N 2.98Å; R786-R788 HydrophobicContact CG-CB 4.47Å; R786-R788 PolarHBondContact O-N 3.46Å
787	K	86.2	Confident	82	Confident	171 Å²	171	132.5 Å²	132.5	74%	0.743	66%	0.664	S	S	*	*			trans	-86.3	31.2	177	-61.4	-177.2	-178.5	178	0	113.8	A784	A784-K787 WeakPolarHBondContact O-CE 3.16Å
788	R	81.6	Confident	81.3	Confident	158 Å²	158	131 Å²	131	60%	0.596	66%	0.657	S	S	*	*			trans	-97.7	121.5	-178.4	-164	178.3	-168.6	-169.7	3.9	111.2	R786	R786-R788 HydrophobicContact CG-CB 4.47Å; R786-R788 PolarHBondContact O-N 3.46Å
789	G	83.3	Confident	79.9	Confident	57 Å²	57	136.6 Å²	136.6	59%	0.588	68%	0.684	S	S	*	*			trans	-70.5	168.5	175.2	0	0	0	0	0	113.7
790	H	83.7	Confident	79	Confident	113 Å²	113	135.6 Å²	135.6	52%	0.523	69%	0.694	S	S	.	*			trans	-111.2	133.5	174.6	179.8	71.8	0	0	0	109.9	Y778	Y778-H790 HydrophobicContact CD2-CB 4.31Å; Y778-H790 AromaticContact CD2-CD2 3.48Å; Y778-H790 VanDerWaalsContact CD2-CD2 3.48Å; Y778-H790 WeakPolarHBondContact CD2-CD2 3.48Å; Y778-H790 HydrophobicContact CE1-CB 4Å; Y778-H790 HydrophobicContact CE2-CB 3.46Å; Y778-H790 VanDerWaalsContact CE2-CB 3.46Å; Y778-H790 AromaticContact CE2-CD2 3.34Å; Y778-H790 WeakPolarHBondContact CE2-CD2 3.23Å; Y778-H790 AromaticContact CE2-CG 3.38Å; Y778-H790 AromaticContact CZ-CG 3.82Å; Y778-H790 VanDerWaalsContact OH-CB 3.23Å; Y778-H790 WeakPolarHBondContact OH-CB 3.34Å
791	I	85.1	Confident	77.8	Confident	107 Å²	107	140 Å²	140	55%	0.549	70%	0.701	S	S	.	*			trans	-123	124.2	176.7	-63.5	170.1	0	0	0	105.4	K794	I791-K794 HydrophobicContact CB-CB 4.04Å; I791-K794 HydrophobicContact CG2-CB 4.16Å
792	K	80.3	Confident	76.5	Confident	179 Å²	179	143.8 Å²	143.8	78%	0.778	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-46.4	-176.6	-71.2	-174.7	176.5	-175	0	111.8	K794	K792-K794 PolarHBondContact O-N 3.41Å
793	N	83.8	Confident	75.1	Confident	152 Å²	152	145.1 Å²	145.1	81%	0.813	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	55	179.9	-160	9.7	0	0	0	111.7
794	K	81.9	Confident	73.5	Confident	97 Å²	97	147 Å²	147	42%	0.422	74%	0.744	S	S	.	*			trans	-92.8	122.3	176.9	-169.2	172.4	-175.9	166	0	110.1	I791 K792 V796	I791-K794 HydrophobicContact CB-CB 4.04Å; I791-K794 HydrophobicContact CG2-CB 4.16Å; K792-K794 PolarHBondContact O-N 3.41Å; K794-V796 PolarHBondContact O-N 3.02Å; K794-V796 VanDerWaalsContact O-N 3.12Å
795	L	78.9	Confident	71.7	Confident	159 Å²	159	152 Å²	152	83%	0.832	75%	0.748	S	S	*	*			trans	-57.4	117.6	170.5	-65.3	171.7	0	0	0	109.8	L797	L795-L797 PolarHBondContact O-N 3.19Å
796	V	77	Confident	69.7	Low	123 Å²	123	155.4 Å²	155.4	75%	0.745	76%	0.763	S	S	*	*			trans	-81.9	104.4	179.9	-174.4	0	0	0	0	108.1	K794 K798	K794-V796 PolarHBondContact O-N 3.02Å; K794-V796 VanDerWaalsContact O-N 3.12Å; V796-K798 PolarHBondContact O-N 3.31Å
797	L	69.5	Low	69.2	Low	177 Å²	177	156 Å²	156	93%	0.927	77%	0.774	S	S	*	*			trans	-65.2	99.5	170.4	-81.5	161.1	0	0	0	109.4	L795	L795-L797 PolarHBondContact O-N 3.19Å
798	K	60.1	Low	68.3	Low	167 Å²	167	155.2 Å²	155.2	73%	0.726	78%	0.775	S	S	*	*			trans	-88.1	105.8	163.6	-75.9	-175.6	177	-179.5	0	108	V796 G800	V796-K798 PolarHBondContact O-N 3.31Å; K798-G800 PolarHBondContact O-N 3.36Å; K798-G800 VanDerWaalsContact O-N 3.15Å
799	K	54.3	Low	67.6	Low	223 Å²	223	155 Å²	155	97%	0.97	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	118.5	168.4	-97.4	-174.7	171.7	-175.6	0	108.1
800	G	62	Low	66.7	Low	81 Å²	81	160.8 Å²	160.8	84%	0.835	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	117.6	1.5	172.2	0	0	0	0	0	118.6	K798	K798-G800 PolarHBondContact O-N 3.36Å; K798-G800 VanDerWaalsContact O-N 3.15Å
801	K	54.5	Low	65.6	Low	183 Å²	183	163.8 Å²	163.8	80%	0.796	81%	0.814	S	S	*	*			trans	-126.5	117.4	171	-87.9	-174.3	173.2	-175.7	0	111.6
802	K	56.9	Low	64.3	Low	211 Å²	211	167.5 Å²	167.5	92%	0.917	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-61.4	134.8	164.7	-102.6	177.9	175.2	175.2	0	108.7
803	L	58.8	Low	63.2	Low	161 Å²	161	166.7 Å²	166.7	84%	0.843	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-62.1	134.4	169.3	-79	150.5	0	0	0	109	K805	L803-K805 PolarHBondContact O-N 2.99Å
804	P	53.4	Low	61.6	Low	121 Å²	121	167.8 Å²	167.8	79%	0.786	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-66	118.8	167.3	27.6	-28.9	0	0	0	107.2	K806	P804-K806 PolarHBondContact O-N 3.09Å
805	K	49.7	Very low	59.9	Low	202 Å²	202	173.8 Å²	173.8	88%	0.878	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-58.9	130.1	168.4	-76.6	-178.4	172.1	-175.4	0	107.5	L803	L803-K805 PolarHBondContact O-N 2.99Å
806	K	43.4	Very low	58.1	Low	277 Å²	277	175.1 Å²	175.1	100%	1.204	88%	0.875	S	S	*	*			trans	-74	0	149.6	-93.1	-169.7	173.8	-173.2	0	107.8	P804	P804-K806 PolarHBondContact O-N 3.09Å

Retrieved 806 of 806 residues in 732.5 ms (Link to these results)

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