A0A087X747_POEFO Loading...

Thyrotropin-releasing hormone-degrading ectoenzyme

Specific inactivation of TRH after its release.

AlphaFold DB , UniProt , Accession A0A087X747, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,013 aa.

						>A0A087X747_POEFO|A0A087X747
MGLNDSSPGAMRNGRGLSDQWAESVVVRPRTTERHITVHKRLVLGFALSIITLIIVTAVAVALSVRFDDCGGRDRGGGRGETGSRGSGGSGRLNGSRGERMGDRGDEEVVQPWKNSRLPGSVRPRHYDLRLAVYMDNFTFSGEVSIELECVNATRFIVLHADRLEVDRVSMAAESGAGGRPANRPGGGVMRIHRHFPFPANQMYVVVLHRELKPGRLYRLNVSFDAAIEDELLGFFRSSYTLQREKRYLAVTQFSPIHARKAFPCFDEPVYKATFSLSLRHDPQYTSLSNMPVDSSWPDEDGWVTNRFARTPRMSTYYLAWAVCNFTYRETQTSSGVAIRLYARPDAVSSGAGDYALHITKRLLGFYEEYFKVQYSLPKLDLLAVPKHPYAAMENWGLSVFVEQKILLDADVSSSSYQMELTMVVVHEICHQWFGDLVTPVWWEDVWLKEGFAHFFEYVGTDFLFPKWNMEKQRFLTDVLHEVMLLDGLGSSHPISQEVEQATDIDRVFDWIAYKKGAALIRMLANVMGQPLFQKGLNDYLLSHMYSNAARDDLWSKLTQAMRSEGRDIDIGEMMDRWTLQMGYPVVTISKNQSEQLPTHYITVTQEHFLYGEEVRNNLSLQWQVPLTVAVGNVSAVCLESLIWINNRTESHRIGQMDDSTWLLGNINQTGYFRVNYDLQNWKLLIQQLHNSPQIISVGNRAGLIDDAFNLARAGYLPQGVPLQLIGYLPEETSFLPWHAASRALYQLDKLLDRTDDYRLFSDYVLKQVASRYHQMGWPTNGPGTEGNILQASYQTEELQRELIMLACSFGNKQCHRQAVAYISDWISSNKNRIPPNIRDIVYCTGVSLMDEDVWEFIWMKFHSTSAVSEKKILLEALTCSDNTFLLNRLLNLSLTSDLVPEQDVIDVIIHVGRNPQGRNLAWKYFRDKWDILNARYGEALFMNSKLIGGVTEFLNTERELNELKEFIQSSGVGAGPALPRALEIVEGNVRWHRLHRRHFYQWLRKPPSSTYG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	29.5	Very low	246 Å²	246	133.9 Å²	133.9	100%	1.212	84%	0.839	S	S	*	*				0	86.2	0	-73.3	170.7	173.9	0	0	105.4
2	G	27.3	Very low	29.2	Very low	70 Å²	70	143.2 Å²	143.2	72%	0.722	85%	0.846	S	S	*	*				70.7	99.6	78	0	0	0	0	0	107.3
3	L	31.1	Very low	29	Very low	172 Å²	172	144.9 Å²	144.9	90%	0.901	85%	0.849	S	S	*	*				-170.5	126.8	72.4	-77.7	148	0	0	0	106.4
4	N	28.6	Very low	28.6	Very low	135 Å²	135	139.8 Å²	139.8	72%	0.722	84%	0.842	S	S	*	*				37.3	135.1	75.2	-89.2	35.9	0	0	0	113.3
5	D	30.8	Very low	28.3	Very low	127 Å²	127	147.3 Å²	147.3	68%	0.679	85%	0.85	S	S	*	*			cis	-168.9	151.7	20.4	-105.1	-42.2	0	0	0	107.5
6	S	29.1	Very low	28.2	Very low	118 Å²	118	142.9 Å²	142.9	83%	0.825	85%	0.846	S	S	*	*				161.1	97	122.5	47.3	0	0	0	0	113.1
7	S	26	Very low	28.1	Very low	110 Å²	110	145.2 Å²	145.2	77%	0.769	85%	0.852	S	S	*	*			trans	-65.3	-170.4	155.3	-46	0	0	0	0	110.9
8	P	40.5	Very low	28.1	Very low	126 Å²	126	142.9 Å²	142.9	82%	0.818	85%	0.845	S	S	*	*			cis	-140.2	170.7	-5.8	33	-11.2	0	0	0	115.8
9	G	24.7	Very low	28.6	Very low	75 Å²	75	143.7 Å²	143.7	77%	0.773	85%	0.845	S	S	*	*				113	122.1	127	0	0	0	0	0	120.6
10	A	25	Very low	28.6	Very low	108 Å²	108	145.2 Å²	145.2	89%	0.893	84%	0.843	S	S	*	*			trans	106.8	128	135.7	0	0	0	0	0	120.5
11	M	25.9	Very low	28.5	Very low	186 Å²	186	150.4 Å²	150.4	92%	0.916	85%	0.849	S	S	*	*			trans	-60.5	147.9	176.9	-60.2	167.1	178	0	0	114.6
12	R	25.8	Very low	28.3	Very low	245 Å²	245	143.2 Å²	143.2	93%	0.925	83%	0.829	S	S	*	*				-174.7	144.7	121.5	-118.8	175.9	167.4	176.8	-4.1	114.3
13	N	26.5	Very low	28.5	Very low	166 Å²	166	148.8 Å²	148.8	89%	0.888	84%	0.836	S	S	*	*			trans	-43	152	171	-68.3	-27.4	0	0	0	116.7
14	G	23.6	Very low	28.3	Very low	73 Å²	73	145.7 Å²	145.7	75%	0.753	83%	0.829	S	S	*	*			trans	169.1	93.1	155.3	0	0	0	0	0	117
15	R	24.4	Very low	28.4	Very low	253 Å²	253	145.8 Å²	145.8	96%	0.955	83%	0.834	S	S	*	*			trans	31.8	129.4	138.6	-67.8	179.2	178.8	-179.4	-1	120.5
16	G	26.5	Very low	28.1	Very low	76 Å²	76	145.6 Å²	145.6	78%	0.784	84%	0.837	S	S	*	*				88.2	96.1	121.6	0	0	0	0	0	116.1
17	L	27.1	Very low	28.2	Very low	183 Å²	183	145.9 Å²	145.9	96%	0.958	83%	0.833	S	S	*	*			trans	-103.1	115.3	153.8	-82.8	162.7	0	0	0	107.6
18	S	27.9	Very low	28.2	Very low	103 Å²	103	151.5 Å²	151.5	72%	0.72	84%	0.838	S	S	*	*			trans	-70.3	154.1	-176.5	60.3	0	0	0	0	112.3	Q20	S18-Q20 PolarHBondContact O-N 2.71Å
19	D	36.4	Very low	27.9	Very low	158 Å²	158	150.9 Å²	150.9	85%	0.845	83%	0.834	S	S	*	*			trans	-37.7	126.2	150.4	-74.5	-47.5	0	0	0	111.4
20	Q	29.5	Very low	28.8	Very low	173 Å²	173	158.3 Å²	158.3	81%	0.808	84%	0.838	S	S	*	*			trans	178.9	79.2	148.4	-105	-178.1	16	0	0	109.4	S18	S18-Q20 PolarHBondContact O-N 2.71Å
21	W	25.7	Very low	29.2	Very low	255 Å²	255	158.8 Å²	158.8	97%	0.966	83%	0.831	S	S	*	*			trans	-153.6	53.4	150.3	-82.2	94.5	0	0	0	108.7
22	A	31	Very low	30.2	Very low	95 Å²	95	154.2 Å²	154.2	79%	0.785	81%	0.813	S	S	*	*			trans	-117.1	81.7	162.9	0	0	0	0	0	106.9
23	E	32.5	Very low	30.8	Very low	188 Å²	188	150.6 Å²	150.6	88%	0.879	81%	0.807	S	S	*	*			trans	176.1	101.1	156.1	-102.6	172.9	-161.1	0	0	109.5
24	S	27.3	Very low	31.5	Very low	106 Å²	106	153.6 Å²	153.6	74%	0.741	81%	0.806	S	S	*	*			trans	-178.7	65.4	144.8	44.1	0	0	0	0	108.8	V26	S24-V26 PolarHBondContact O-N 2.85Å
25	V	29.7	Very low	32.4	Very low	138 Å²	138	156.4 Å²	156.4	84%	0.836	80%	0.799	S	S	*	*			trans	-77.8	99.5	158	176.5	0	0	0	0	106.4	V27	V25-V27 HydrophobicContact CG1-CG2 4.32Å
26	V	25.1	Very low	33.4	Very low	123 Å²	123	148.4 Å²	148.4	75%	0.745	77%	0.774	S	S	*	*			trans	-117.2	101.6	154.8	179.3	0	0	0	0	106.3	S24 R28	S24-V26 PolarHBondContact O-N 2.85Å; V26-R28 PolarHBondContact O-N 3.38Å
27	V	32.2	Very low	34.1	Very low	123 Å²	123	149.2 Å²	149.2	75%	0.745	76%	0.764	S	S	*	*			trans	-55.9	115	160.9	175.8	0	0	0	0	106.5	V25	V25-V27 HydrophobicContact CG1-CG2 4.32Å
28	R	25.9	Very low	35.2	Very low	228 Å²	228	144.7 Å²	144.7	86%	0.86	74%	0.744	S	S	*	*			trans	-61.7	135.3	173.7	-85.5	-175.3	178.9	178.6	0.5	109.2	V26	V26-R28 PolarHBondContact O-N 3.38Å
29	P	32.8	Very low	36.2	Very low	113 Å²	113	145.8 Å²	145.8	73%	0.734	74%	0.738	S	S	*	*			trans	-67.1	145.2	174.6	-6.1	20	0	0	0	110.7	T31	P29-T31 PolarHBondContact O-N 3.28Å; P29-T31 VanDerWaalsContact O-N 3.17Å
30	R	44.2	Very low	36.7	Very low	231 Å²	231	145.4 Å²	145.4	87%	0.872	73%	0.728	S	S	*	*			trans	-40.9	115.3	169.1	-72.3	174.6	167.5	166.9	-5.2	110.9	T32	R30-T32 HydrophobicContact CB-CG2 4.49Å; R30-T32 PolarHBondContact O-N 3.18Å
31	T	33.7	Very low	38	Very low	119 Å²	119	147.2 Å²	147.2	73%	0.73	73%	0.728	S	S	*	*			trans	-82.1	90.2	171.3	46.8	0	0	0	0	109.6	P29	P29-T31 PolarHBondContact O-N 3.28Å; P29-T31 VanDerWaalsContact O-N 3.17Å
32	T	46.5	Very low	39.5	Very low	90 Å²	90	140.5 Å²	140.5	55%	0.552	71%	0.71	S	S	*	*			trans	-82.5	-13.3	-175.3	30.1	0	0	0	0	115.3	R30 I36	R30-T32 HydrophobicContact CB-CG2 4.49Å; R30-T32 PolarHBondContact O-N 3.18Å; T32-I36 WeakPolarHBondContact O-CD1 3.49Å; T32-I36 WeakPolarHBondContact O-CG1 3.09Å
33	E	39.4	Very low	41.2	Very low	169 Å²	169	140.3 Å²	140.3	79%	0.79	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-26.3	-166.7	-73.2	-174.3	152.1	0	0	116.4
34	R	39.4	Very low	42.7	Very low	228 Å²	228	136.9 Å²	136.9	86%	0.86	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-22.2	177.4	-101.6	-178.1	175.4	-178.5	-1.2	114.3
35	H	43.2	Very low	44.8	Very low	132 Å²	132	133.4 Å²	133.4	61%	0.611	67%	0.667	S	S	*	*	H	α-helix	trans	-79.5	-25.4	176.3	-82.8	-85.5	0	0	0	113	T37 V38 H39	H35-T37 VanDerWaalsContact C-N 3.34Å; H35-T37 PolarHBondContact O-N 3.17Å; H35-V38 PolarHBondContact O-N 3.17Å; H35-H39 WeakPolarHBondContact O-CB 3.17Å; H35-H39 PolarHBondContact O-N 3.16Å
36	I	44.9	Very low	46.4	Very low	85 Å²	85	133.7 Å²	133.7	44%	0.436	66%	0.657	S	S	.	*	H	α-helix	trans	-65.1	-34	-178.6	-71.5	166.9	0	0	0	112.5	T32 K40	T32-I36 WeakPolarHBondContact O-CD1 3.49Å; T32-I36 WeakPolarHBondContact O-CG1 3.09Å; I36-K40 HydrophobicContact CG2-CD 4.22Å; I36-K40 HydrophobicContact CG2-CG 4.45Å; I36-K40 WeakPolarHBondContact O-CB 3.27Å; I36-K40 WeakPolarHBondContact O-CG 3.49Å; I36-K40 PolarHBondContact O-N 3.24Å
37	T	41.8	Very low	48.4	Very low	93 Å²	93	130 Å²	130	57%	0.571	64%	0.64	S	S	*	*	H	α-helix	trans	-75.1	-32.1	-179.5	8.8	0	0	0	0	112.9	H35	H35-T37 VanDerWaalsContact C-N 3.34Å; H35-T37 PolarHBondContact O-N 3.17Å
38	V	50.4	Low	50.5	Low	89 Å²	89	129 Å²	129	54%	0.539	63%	0.63	S	S	.	*	H	α-helix	trans	-77.5	-42	174	-179.4	0	0	0	0	110.4	H35 K40 R41 L42	H35-V38 PolarHBondContact O-N 3.17Å; V38-K40 PolarHBondContact O-N 2.99Å; V38-R41 PolarHBondContact O-N 3.13Å; V38-L42 HydrophobicContact CG1-CD1 4.28Å; V38-L42 PolarHBondContact O-N 3.47Å; V38-L42 VanDerWaalsContact O-N 3.1Å
39	H	48.5	Very low	52.5	Low	126 Å²	126	121.7 Å²	121.7	58%	0.583	61%	0.614	S	S	*	*	H	α-helix	trans	-60.3	-41.7	173.5	-109.9	42.5	0	0	0	112.6	H35 R41 L42 V43	H35-H39 WeakPolarHBondContact O-CB 3.17Å; H35-H39 PolarHBondContact O-N 3.16Å; H39-R41 VanDerWaalsContact C-N 3.31Å; H39-R41 PolarHBondContact O-N 3.47Å; H39-L42 PolarHBondContact O-N 3.12Å; H39-V43 WeakPolarHBondContact O-CB 3.4Å; H39-V43 VanDerWaalsContact O-CG2 3.23Å; H39-V43 WeakPolarHBondContact O-CG2 3.37Å; H39-V43 PolarHBondContact O-N 2.79Å
40	K	47	Very low	54.4	Low	150 Å²	150	120.2 Å²	120.2	65%	0.652	60%	0.599	S	S	*	*	H	α-helix	trans	-62.6	-34.9	177.3	-82.4	-178	177.9	-178.1	0	113	I36 V38 L44	I36-K40 HydrophobicContact CG2-CD 4.22Å; I36-K40 HydrophobicContact CG2-CG 4.45Å; I36-K40 WeakPolarHBondContact O-CB 3.27Å; I36-K40 WeakPolarHBondContact O-CG 3.49Å; I36-K40 PolarHBondContact O-N 3.24Å; V38-K40 PolarHBondContact O-N 2.99Å; K40-L44 VanDerWaalsContact O-CB 3.23Å; K40-L44 WeakPolarHBondContact O-CB 3.33Å; K40-L44 PolarHBondContact O-N 3.47Å; K40-L44 VanDerWaalsContact O-N 3.07Å
41	R	57.7	Low	56.2	Low	210 Å²	210	113.7 Å²	113.7	79%	0.792	58%	0.58	S	S	*	*	H	α-helix	trans	-74.1	-37.9	177.1	-72.9	-176.5	177.2	-176.5	-0.4	112.4	V38 H39 G45	V38-R41 PolarHBondContact O-N 3.13Å; H39-R41 VanDerWaalsContact C-N 3.31Å; H39-R41 PolarHBondContact O-N 3.47Å; R41-G45 PolarHBondContact O-N 3.18Å
42	L	56.6	Low	58.3	Low	115 Å²	115	111.9 Å²	111.9	60%	0.602	57%	0.569	S	S	*	*	H	α-helix	trans	-68.8	-44.6	175.8	-106.4	146.1	0	0	0	112.1	V38 H39 L44 G45 F46	V38-L42 HydrophobicContact CG1-CD1 4.28Å; V38-L42 PolarHBondContact O-N 3.47Å; V38-L42 VanDerWaalsContact O-N 3.1Å; H39-L42 PolarHBondContact O-N 3.12Å; L42-L44 VanDerWaalsContact C-N 3.35Å; L42-L44 PolarHBondContact O-N 3.4Å; L42-G45 PolarHBondContact O-N 2.85Å; L42-F46 WeakPolarHBondContact O-CB 3.42Å; L42-F46 PolarHBondContact O-N 3.18Å
43	V	67	Low	59.6	Low	91 Å²	91	113.1 Å²	113.1	55%	0.552	57%	0.572	S	S	*	*	H	α-helix	trans	-65	-38	176	173.9	0	0	0	0	111.3	H39 F46 A47	H39-V43 WeakPolarHBondContact O-CB 3.4Å; H39-V43 VanDerWaalsContact O-CG2 3.23Å; H39-V43 WeakPolarHBondContact O-CG2 3.37Å; H39-V43 PolarHBondContact O-N 2.79Å; V43-F46 PolarHBondContact O-N 2.7Å; V43-A47 VanDerWaalsContact O-CB 3.32Å; V43-A47 WeakPolarHBondContact O-CB 3.35Å; V43-A47 PolarHBondContact O-N 2.98Å
44	L	63.5	Low	61.5	Low	115 Å²	115	110.1 Å²	110.1	60%	0.602	56%	0.56	S	S	*	*	H	α-helix	trans	-66.5	-39.1	174.6	-158.7	80.6	0	0	0	111.9	K40 L42 L48	K40-L44 VanDerWaalsContact O-CB 3.23Å; K40-L44 WeakPolarHBondContact O-CB 3.33Å; K40-L44 PolarHBondContact O-N 3.47Å; K40-L44 VanDerWaalsContact O-N 3.07Å; L42-L44 VanDerWaalsContact C-N 3.35Å; L42-L44 PolarHBondContact O-N 3.4Å; L44-L48 HydrophobicContact CG-CD1 4.46Å; L44-L48 WeakPolarHBondContact O-CB 3.35Å; L44-L48 WeakPolarHBondContact O-CD1 3.19Å; L44-L48 WeakPolarHBondContact O-CG 3.26Å; L44-L48 PolarHBondContact O-N 3.26Å
45	G	71.3	Confident	63.6	Low	33 Å²	33	103.9 Å²	103.9	34%	0.34	54%	0.543	S	S	.	.	H	α-helix	trans	-65.7	-37.5	174.2	0	0	0	0	0	113.2	R41 L42 S49	R41-G45 PolarHBondContact O-N 3.18Å; L42-G45 PolarHBondContact O-N 2.85Å; G45-S49 WeakPolarHBondContact O-CB 3.36Å; G45-S49 PolarHBondContact O-N 3.37Å; G45-S49 VanDerWaalsContact O-N 3.08Å; G45-S49 PolarHBondContact O-OG 3.11Å
46	F	63.5	Low	65.3	Low	144 Å²	144	102.1 Å²	102.1	63%	0.632	54%	0.541	S	S	*	.	H	α-helix	trans	-70.7	-42.6	176.3	-143.6	-94.4	0	0	0	111.7	L42 V43 L48 S49 I50	L42-F46 WeakPolarHBondContact O-CB 3.42Å; L42-F46 PolarHBondContact O-N 3.18Å; V43-F46 PolarHBondContact O-N 2.7Å; F46-L48 PolarHBondContact O-N 2.94Å; F46-S49 PolarHBondContact O-N 3.04Å; F46-I50 HydrophobicContact CD1-CD1 3.79Å; F46-I50 HydrophobicContact CD1-CG1 4.38Å; F46-I50 HydrophobicContact CE1-CD1 4.04Å; F46-I50 WeakPolarHBondContact O-CG1 3.38Å; F46-I50 PolarHBondContact O-N 3.4Å
47	A	68	Low	66.6	Low	46 Å²	46	101.7 Å²	101.7	38%	0.38	54%	0.542	S	S	.	.	H	α-helix	trans	-63	-41.6	175.3	0	0	0	0	0	112.2	V43 S49 I50 I51	V43-A47 VanDerWaalsContact O-CB 3.32Å; V43-A47 WeakPolarHBondContact O-CB 3.35Å; V43-A47 PolarHBondContact O-N 2.98Å; A47-S49 VanDerWaalsContact C-N 3.32Å; A47-S49 PolarHBondContact O-N 2.93Å; A47-I50 PolarHBondContact O-N 2.95Å; A47-I51 VanDerWaalsContact O-CG1 3.29Å; A47-I51 WeakPolarHBondContact O-CG1 3.39Å; A47-I51 PolarHBondContact O-N 2.94Å
48	L	74.4	Confident	68.1	Low	103 Å²	103	100 Å²	100	54%	0.539	54%	0.538	S	S	.	.	H	α-helix	trans	-63.3	-37.6	174.5	-78.7	164.5	0	0	0	112.1	L44 F46 I51 T52	L44-L48 HydrophobicContact CG-CD1 4.46Å; L44-L48 WeakPolarHBondContact O-CB 3.35Å; L44-L48 WeakPolarHBondContact O-CD1 3.19Å; L44-L48 WeakPolarHBondContact O-CG 3.26Å; L44-L48 PolarHBondContact O-N 3.26Å; F46-L48 PolarHBondContact O-N 2.94Å; L48-I51 PolarHBondContact O-N 3.17Å; L48-T52 PolarHBondContact O-N 3.37Å; L48-T52 PolarHBondContact O-OG1 2.92Å
49	S	68.9	Low	69.1	Low	74 Å²	74	99.4 Å²	99.4	52%	0.517	54%	0.535	S	S	.	.	H	α-helix	trans	-69.3	-35.7	177.4	-61.5	0	0	0	0	112.9	G45 F46 A47 T52 L53	G45-S49 WeakPolarHBondContact O-CB 3.36Å; G45-S49 PolarHBondContact O-N 3.37Å; G45-S49 VanDerWaalsContact O-N 3.08Å; G45-S49 PolarHBondContact O-OG 3.11Å; F46-S49 PolarHBondContact O-N 3.04Å; A47-S49 VanDerWaalsContact C-N 3.32Å; A47-S49 PolarHBondContact O-N 2.93Å; S49-T52 VanDerWaalsContact CA-OG1 3.3Å; S49-T52 WeakPolarHBondContact CA-OG1 3.37Å; S49-T52 PolarHBondContact O-OG1 3.37Å; S49-L53 WeakPolarHBondContact O-CB 3.43Å; S49-L53 PolarHBondContact O-N 3.26Å
50	I	73.2	Confident	69.9	Low	81 Å²	81	96 Å²	96	42%	0.415	53%	0.528	S	S	.	.	H	α-helix	trans	-69.6	-41.2	174.3	-69.2	170.9	0	0	0	110.4	F46 A47 L53 I54	F46-I50 HydrophobicContact CD1-CD1 3.79Å; F46-I50 HydrophobicContact CD1-CG1 4.38Å; F46-I50 HydrophobicContact CE1-CD1 4.04Å; F46-I50 WeakPolarHBondContact O-CG1 3.38Å; F46-I50 PolarHBondContact O-N 3.4Å; A47-I50 PolarHBondContact O-N 2.95Å; I50-L53 PolarHBondContact O-N 3.08Å; I50-I54 HydrophobicContact CG2-CD1 3.76Å; I50-I54 HydrophobicContact CG2-CG1 4.39Å; I50-I54 VanDerWaalsContact O-CG1 3.28Å; I50-I54 WeakPolarHBondContact O-CG1 3.22Å; I50-I54 PolarHBondContact O-N 3.43Å
51	I	80.7	Confident	70.9	Confident	94 Å²	94	93.1 Å²	93.1	48%	0.482	52%	0.523	S	S	.	.	H	α-helix	trans	-64.1	-43	177.3	-69.6	167.5	0	0	0	110.8	A47 L48 I54 I55	A47-I51 VanDerWaalsContact O-CG1 3.29Å; A47-I51 WeakPolarHBondContact O-CG1 3.39Å; A47-I51 PolarHBondContact O-N 2.94Å; L48-I51 PolarHBondContact O-N 3.17Å; I51-I54 PolarHBondContact O-N 2.95Å; I51-I55 HydrophobicContact CG2-CD1 3.76Å; I51-I55 HydrophobicContact CG2-CG1 4.45Å; I51-I55 VanDerWaalsContact O-CG1 3.24Å; I51-I55 WeakPolarHBondContact O-CG1 3.44Å; I51-I55 PolarHBondContact O-N 3.24Å
52	T	78.2	Confident	70.7	Confident	82 Å²	82	86.8 Å²	86.8	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-39.7	174.6	39.9	0	0	0	0	112.1	L48 S49 I55 V56	L48-T52 PolarHBondContact O-N 3.37Å; L48-T52 PolarHBondContact O-OG1 2.92Å; S49-T52 VanDerWaalsContact CA-OG1 3.3Å; S49-T52 WeakPolarHBondContact CA-OG1 3.37Å; S49-T52 PolarHBondContact O-OG1 3.37Å; T52-I55 PolarHBondContact O-N 3.17Å; T52-V56 WeakPolarHBondContact O-CB 3.19Å; T52-V56 VanDerWaalsContact O-CG2 3.24Å; T52-V56 WeakPolarHBondContact O-CG2 3.46Å; T52-V56 PolarHBondContact O-N 3.36Å
53	L	73.3	Confident	70.4	Confident	116 Å²	116	88.1 Å²	88.1	61%	0.607	52%	0.522	S	S	*	.	H	α-helix	trans	-61.8	-44.8	175.2	-165.5	78.2	0	0	0	111.6	S49 I50 I55 V56 T57	S49-L53 WeakPolarHBondContact O-CB 3.43Å; S49-L53 PolarHBondContact O-N 3.26Å; I50-L53 PolarHBondContact O-N 3.08Å; L53-I55 PolarHBondContact O-N 2.99Å; L53-V56 PolarHBondContact O-N 3.12Å; L53-T57 WeakPolarHBondContact O-CB 3.47Å; L53-T57 PolarHBondContact O-N 3.4Å; L53-T57 PolarHBondContact O-OG1 2.87Å
54	I	81.1	Confident	69.5	Low	105 Å²	105	88 Å²	88	54%	0.538	53%	0.525	S	S	.	.	H	α-helix	trans	-63.5	-42	177.5	-68.6	167.7	0	0	0	110.9	I50 I51 T57 A58	I50-I54 HydrophobicContact CG2-CD1 3.76Å; I50-I54 HydrophobicContact CG2-CG1 4.39Å; I50-I54 VanDerWaalsContact O-CG1 3.28Å; I50-I54 WeakPolarHBondContact O-CG1 3.22Å; I50-I54 PolarHBondContact O-N 3.43Å; I51-I54 PolarHBondContact O-N 2.95Å; I54-T57 PolarHBondContact O-N 3.46Å; I54-A58 VanDerWaalsContact O-CB 3.28Å; I54-A58 WeakPolarHBondContact O-CB 3.23Å; I54-A58 PolarHBondContact O-N 2.75Å
55	I	83.3	Confident	68.6	Low	97 Å²	97	88 Å²	88	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-63.5	-45.2	176.8	-68.9	166.8	0	0	0	110.7	I51 T52 L53 T57 A58 V59	I51-I55 HydrophobicContact CG2-CD1 3.76Å; I51-I55 HydrophobicContact CG2-CG1 4.45Å; I51-I55 VanDerWaalsContact O-CG1 3.24Å; I51-I55 WeakPolarHBondContact O-CG1 3.44Å; I51-I55 PolarHBondContact O-N 3.24Å; T52-I55 PolarHBondContact O-N 3.17Å; L53-I55 PolarHBondContact O-N 2.99Å; I55-T57 VanDerWaalsContact C-N 3.31Å; I55-T57 PolarHBondContact O-N 3.39Å; I55-A58 PolarHBondContact O-N 3.14Å; I55-V59 HydrophobicContact CG2-CG2 4.35Å; I55-V59 WeakPolarHBondContact O-CB 3.42Å; I55-V59 VanDerWaalsContact O-CG2 3.23Å; I55-V59 WeakPolarHBondContact O-CG2 3.46Å; I55-V59 PolarHBondContact O-N 3.02Å
56	V	78.9	Confident	66.9	Low	96 Å²	96	97 Å²	97	58%	0.582	55%	0.554	S	S	*	*	H	α-helix	trans	-61.9	-41.6	177.6	169.8	0	0	0	0	111	T52 L53 V59 A60	T52-V56 WeakPolarHBondContact O-CB 3.19Å; T52-V56 VanDerWaalsContact O-CG2 3.24Å; T52-V56 WeakPolarHBondContact O-CG2 3.46Å; T52-V56 PolarHBondContact O-N 3.36Å; L53-V56 PolarHBondContact O-N 3.12Å; V56-V59 PolarHBondContact O-N 3.3Å; V56-A60 WeakPolarHBondContact O-CB 3.44Å; V56-A60 PolarHBondContact O-N 3.16Å
57	T	72.1	Confident	65.4	Low	75 Å²	75	98.4 Å²	98.4	46%	0.46	56%	0.56	S	S	.	*	H	α-helix	trans	-69.5	-40.5	179.4	-40.4	0	0	0	0	111.2	L53 I54 I55 A60 V61	L53-T57 WeakPolarHBondContact O-CB 3.47Å; L53-T57 PolarHBondContact O-N 3.4Å; L53-T57 PolarHBondContact O-OG1 2.87Å; I54-T57 PolarHBondContact O-N 3.46Å; I55-T57 VanDerWaalsContact C-N 3.31Å; I55-T57 PolarHBondContact O-N 3.39Å; T57-A60 PolarHBondContact O-N 2.81Å; T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.29Å; T57-V61 PolarHBondContact O-N 2.85Å
58	A	73.2	Confident	63.9	Low	59 Å²	59	102.7 Å²	102.7	49%	0.488	58%	0.576	S	S	.	*	H	α-helix	trans	-66.1	-37.8	175.5	0	0	0	0	0	112.2	I54 I55 V61 A62	I54-A58 VanDerWaalsContact O-CB 3.28Å; I54-A58 WeakPolarHBondContact O-CB 3.23Å; I54-A58 PolarHBondContact O-N 2.75Å; I55-A58 PolarHBondContact O-N 3.14Å; A58-V61 PolarHBondContact O-N 3.46Å; A58-A62 VanDerWaalsContact O-CB 3.24Å; A58-A62 WeakPolarHBondContact O-CB 3.24Å; A58-A62 PolarHBondContact O-N 2.91Å
59	V	71.8	Confident	61.8	Low	76 Å²	76	104.9 Å²	104.9	46%	0.461	59%	0.588	S	S	.	*	H	α-helix	trans	-66.9	-41	173.3	170.4	0	0	0	0	110.7	I55 V56 V61 A62 L63	I55-V59 HydrophobicContact CG2-CG2 4.35Å; I55-V59 WeakPolarHBondContact O-CB 3.42Å; I55-V59 VanDerWaalsContact O-CG2 3.23Å; I55-V59 WeakPolarHBondContact O-CG2 3.46Å; I55-V59 PolarHBondContact O-N 3.02Å; V56-V59 PolarHBondContact O-N 3.3Å; V59-V61 PolarHBondContact O-N 3.03Å; V59-A62 PolarHBondContact O-N 3Å; V59-L63 HydrophobicContact CG1-CD1 3.71Å; V59-L63 HydrophobicContact CG1-CG 4.34Å; V59-L63 WeakPolarHBondContact O-CB 3.39Å; V59-L63 WeakPolarHBondContact O-CG 3.2Å; V59-L63 PolarHBondContact O-N 3.32Å
60	A	64.6	Low	59.8	Low	54 Å²	54	107.7 Å²	107.7	45%	0.446	61%	0.607	S	S	.	*	H	α-helix	trans	-63.4	-40.6	176.2	0	0	0	0	0	112.3	V56 T57 L63 S64	V56-A60 WeakPolarHBondContact O-CB 3.44Å; V56-A60 PolarHBondContact O-N 3.16Å; T57-A60 PolarHBondContact O-N 2.81Å; A60-L63 PolarHBondContact O-N 2.99Å; A60-S64 PolarHBondContact O-N 2.97Å; A60-S64 PolarHBondContact O-OG 3.07Å
61	V	68.2	Low	57.6	Low	90 Å²	90	107.9 Å²	107.9	55%	0.545	63%	0.628	S	S	.	*	H	α-helix	trans	-70.8	-38.5	176	173.5	0	0	0	0	111.6	T57 A58 V59 L63 S64	T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.29Å; T57-V61 PolarHBondContact O-N 2.85Å; A58-V61 PolarHBondContact O-N 3.46Å; V59-V61 PolarHBondContact O-N 3.03Å; V61-L63 VanDerWaalsContact C-N 3.3Å; V61-L63 PolarHBondContact O-N 3.38Å; V61-S64 WeakPolarHBondContact CA-OG 3.42Å; V61-S64 PolarHBondContact O-N 3.21Å; V61-S64 PolarHBondContact O-OG 3.45Å
62	A	52.6	Low	55.2	Low	76 Å²	76	106.9 Å²	106.9	63%	0.628	64%	0.641	S	S	*	*	H	α-helix	trans	-68.5	-28.8	175.8	0	0	0	0	0	113	A58 V59	A58-A62 VanDerWaalsContact O-CB 3.24Å; A58-A62 WeakPolarHBondContact O-CB 3.24Å; A58-A62 PolarHBondContact O-N 2.91Å; V59-A62 PolarHBondContact O-N 3Å
63	L	50.3	Low	53	Low	144 Å²	144	114.1 Å²	114.1	75%	0.754	66%	0.659	S	S	*	*	H	α-helix	trans	-81.8	-16.2	176.6	-73.3	169.4	0	0	0	113.6	V59 A60 V61	V59-L63 HydrophobicContact CG1-CD1 3.71Å; V59-L63 HydrophobicContact CG1-CG 4.34Å; V59-L63 WeakPolarHBondContact O-CB 3.39Å; V59-L63 WeakPolarHBondContact O-CG 3.2Å; V59-L63 PolarHBondContact O-N 3.32Å; A60-L63 PolarHBondContact O-N 2.99Å; V61-L63 VanDerWaalsContact C-N 3.3Å; V61-L63 PolarHBondContact O-N 3.38Å
64	S	49	Very low	51	Low	88 Å²	88	115.4 Å²	115.4	62%	0.615	67%	0.667	S	S	*	*	S	Bend	trans	-97.4	7	-176.3	37.2	0	0	0	0	114.7	A60 V61	A60-S64 PolarHBondContact O-N 2.97Å; A60-S64 PolarHBondContact O-OG 3.07Å; V61-S64 WeakPolarHBondContact CA-OG 3.42Å; V61-S64 PolarHBondContact O-N 3.21Å; V61-S64 PolarHBondContact O-OG 3.45Å
65	V	45.1	Very low	48.6	Very low	114 Å²	114	122.4 Å²	122.4	69%	0.691	69%	0.686	S	S	*	*			trans	-118.5	95.7	174.4	-174.6	0	0	0	0	110.7
66	R	34.1	Very low	46	Very low	224 Å²	224	121.5 Å²	121.5	85%	0.845	70%	0.701	S	S	*	*			trans	-162.4	119	156.5	-108.7	-177.1	-172.2	-175.9	2.2	112.4
67	F	33.5	Very low	43.6	Very low	172 Å²	172	121.2 Å²	121.2	75%	0.754	72%	0.717	S	S	*	*			trans	68.5	137.8	158.3	-73	-90.4	0	0	0	118.6
68	D	34.7	Very low	41.5	Very low	137 Å²	137	121.1 Å²	121.1	73%	0.733	73%	0.732	S	S	*	*			cis	-168.9	162.1	-13	-128.1	6.1	0	0	0	109.3
69	D	31.4	Very low	39.4	Very low	148 Å²	148	130.8 Å²	130.8	79%	0.791	76%	0.756	S	S	*	*			trans	-51.3	154.8	170.9	-90.6	-44.6	0	0	0	116.7
70	C	26.1	Very low	37.3	Very low	134 Å²	134	131 Å²	131	91%	0.905	77%	0.773	S	S	*	*				173	132.6	115.9	-91.4	0	0	0	0	113.4
71	G	28.3	Very low	35.7	Very low	84 Å²	84	137.2 Å²	137.2	87%	0.866	79%	0.793	S	S	*	*			trans	138.4	82.3	147	0	0	0	0	0	116.7
72	G	30.6	Very low	33.8	Very low	73 Å²	73	140 Å²	140	75%	0.753	81%	0.81	S	S	*	*			trans	-93.5	155	164.2	0	0	0	0	0	113.6
73	R	31.4	Very low	32.6	Very low	235 Å²	235	139.7 Å²	139.7	89%	0.887	82%	0.815	S	S	*	*				177.7	124	128.7	-106.3	177.4	172.6	162.9	0.5	114
74	D	31.4	Very low	31.5	Very low	143 Å²	143	137.6 Å²	137.6	77%	0.765	81%	0.812	S	S	*	*			trans	35.9	128.2	133.6	-66.9	-26.9	0	0	0	123.9
75	R	30	Very low	30.5	Very low	251 Å²	251	145 Å²	145	95%	0.947	83%	0.826	S	S	*	*				161.7	134.6	116.2	-87	172.9	179.8	-171.4	0.8	107.3
76	G	28	Very low	29.6	Very low	79 Å²	79	143 Å²	143	81%	0.814	83%	0.828	S	S	*	*			cis	134.9	111.5	13.7	0	0	0	0	0	109
77	G	28.4	Very low	29.3	Very low	89 Å²	89	138.3 Å²	138.3	92%	0.918	83%	0.83	S	S	*	*			trans	80.4	143.6	162	0	0	0	0	0	117
78	G	28.4	Very low	29	Very low	74 Å²	74	133.6 Å²	133.6	76%	0.763	83%	0.83	S	S	*	*			cis	173.1	143.2	0.8	0	0	0	0	0	110.2
79	R	29.9	Very low	28.6	Very low	261 Å²	261	131.1 Å²	131.1	99%	0.985	84%	0.837	S	S	*	*			trans	36	133.7	149.6	-75	179.6	170	176.6	-3.6	121.9
80	G	28	Very low	28.4	Very low	80 Å²	80	130.4 Å²	130.4	83%	0.825	84%	0.844	S	S	*	*			trans	178.7	77.1	149.6	0	0	0	0	0	113.6
81	E	30.5	Very low	28.5	Very low	185 Å²	185	127.1 Å²	127.1	86%	0.864	83%	0.832	S	S	*	*			trans	-78.4	151.5	162.6	-82.9	-177.9	143.1	0	0	111.5
82	T	28.3	Very low	28.4	Very low	149 Å²	149	134.3 Å²	134.3	91%	0.914	83%	0.833	S	S	*	*			trans	150.8	129.1	138.6	41.9	0	0	0	0	106.7
83	G	27.9	Very low	28.3	Very low	70 Å²	70	138 Å²	138	72%	0.722	84%	0.835	S	S	*	*			cis	131.4	97.2	40.6	0	0	0	0	0	105.7
84	S	26.7	Very low	28	Very low	99 Å²	99	135 Å²	135	69%	0.692	84%	0.836	S	S	*	*				77.9	136.1	107.2	116.4	0	0	0	0	117.6
85	R	27.9	Very low	27.8	Very low	244 Å²	244	131.3 Å²	131.3	92%	0.921	83%	0.832	S	S	*	*			trans	79.1	136.9	156.9	-65	168.1	173.8	-174.8	-2.2	116.5
86	G	25.4	Very low	27.6	Very low	71 Å²	71	124.7 Å²	124.7	73%	0.732	83%	0.825	S	S	*	*			cis	159	165.5	4.2	0	0	0	0	0	110.2
87	S	27.6	Very low	27.6	Very low	127 Å²	127	132.8 Å²	132.8	89%	0.888	83%	0.83	S	S	*	*			trans	73	129.7	170	-160	0	0	0	0	116
88	G	28.5	Very low	27.5	Very low	72 Å²	72	132.1 Å²	132.1	74%	0.742	82%	0.824	S	S	*	*			cis	99.2	108.4	31.3	0	0	0	0	0	109.3
89	G	25.9	Very low	27.5	Very low	86 Å²	86	138.1 Å²	138.1	89%	0.887	83%	0.832	S	S	*	*			trans	175.5	110.5	177.7	0	0	0	0	0	114.6
90	S	28	Very low	27.4	Very low	133 Å²	133	137.8 Å²	137.8	93%	0.93	83%	0.831	S	S	*	*			trans	-92.5	150.6	174.3	151.7	0	0	0	0	111
91	G	27.1	Very low	27.5	Very low	64 Å²	64	143.2 Å²	143.2	66%	0.66	84%	0.837	S	S	*	*			trans	133.3	104	144.4	0	0	0	0	0	119.7
92	R	25.9	Very low	27.4	Very low	235 Å²	235	137.7 Å²	137.7	89%	0.887	83%	0.83	S	S	*	*			trans	64.7	118.7	133.5	-70.4	-175.9	175.3	179.6	-1.1	123.2
93	L	28.4	Very low	27.5	Very low	152 Å²	152	138.3 Å²	138.3	80%	0.796	83%	0.827	S	S	*	*				49.7	119.3	124.6	-70	158.2	0	0	0	121.1
94	N	26.6	Very low	27.7	Very low	170 Å²	170	145.7 Å²	145.7	91%	0.909	83%	0.833	S	S	*	*				-167.4	117.8	127.5	-107.4	-13.1	0	0	0	114.3
95	G	26.2	Very low	28	Very low	66 Å²	66	144.3 Å²	144.3	68%	0.68	84%	0.835	S	S	*	*				58.2	104.3	121.9	0	0	0	0	0	124.1
96	S	26.1	Very low	28.3	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	83%	0.83	S	S	*	*				95.1	142.5	119.6	82.8	0	0	0	0	122.7
97	R	28.6	Very low	28.8	Very low	248 Å²	248	144.9 Å²	144.9	94%	0.936	83%	0.834	S	S	*	*			trans	77.5	116.6	170.9	-65.2	178.9	168.1	175.3	-3	114.9
98	G	25.6	Very low	29.5	Very low	76 Å²	76	147.8 Å²	147.8	78%	0.784	83%	0.834	S	S	*	*			cis	136	97.9	12.8	0	0	0	0	0	107.4
99	E	29.2	Very low	30.9	Very low	199 Å²	199	148 Å²	148	93%	0.93	82%	0.82	S	S	*	*			trans	-145.3	112.1	165.7	-109.2	175.4	-175.5	0	0	109.1
100	R	27.5	Very low	33.3	Very low	255 Å²	255	149.4 Å²	149.4	96%	0.962	81%	0.811	S	S	*	*			trans	-72.2	124	172.5	-79.5	176	174.6	178	-2.8	108.3
101	M	29.9	Very low	36.2	Very low	193 Å²	193	146.8 Å²	146.8	95%	0.951	78%	0.784	S	S	*	*			trans	-140.3	101.4	156.8	-144.9	167.9	141.3	0	0	109.6
102	G	28.1	Very low	39.3	Very low	69 Å²	69	144.6 Å²	144.6	71%	0.711	76%	0.759	S	S	*	*			trans	53	77.1	151.2	0	0	0	0	0	118.2	R104	G102-R104 PolarHBondContact O-N 2.71Å
103	D	29.9	Very low	42.5	Very low	162 Å²	162	134 Å²	134	87%	0.866	72%	0.719	S	S	*	*			trans	-67.7	88.9	151.5	-167.6	14.5	0	0	0	107.9
104	R	33.5	Very low	45.5	Very low	225 Å²	225	133 Å²	133	85%	0.849	71%	0.708	S	S	*	*			trans	-86.4	115.6	157.1	-80.3	-175	-179.6	-179.2	0.8	104.5	G102 D106	G102-R104 PolarHBondContact O-N 2.71Å; R104-D106 PolarHBondContact O-N 2.71Å
105	G	31.9	Very low	48.6	Very low	70 Å²	70	129.6 Å²	129.6	72%	0.722	69%	0.69	S	S	*	*			trans	-48.6	104.9	176.4	0	0	0	0	0	110.9	E107	G105-E107 VanDerWaalsContact C-N 3.33Å; G105-E107 PolarHBondContact O-N 3.43Å; G105-E107 VanDerWaalsContact O-N 3.17Å
106	D	33.8	Very low	51.5	Low	152 Å²	152	128.1 Å²	128.1	81%	0.813	67%	0.669	S	S	*	*			trans	-69.4	100.1	155.1	-80.4	-30.5	0	0	0	104.8	R104 E108	R104-D106 PolarHBondContact O-N 2.71Å; D106-E108 PolarHBondContact O-N 2.9Å; D106-E108 VanDerWaalsContact O-N 3.13Å
107	E	37.3	Very low	54.6	Low	176 Å²	176	126.7 Å²	126.7	82%	0.822	65%	0.646	S	S	*	*			trans	-43	122.1	149.8	-71.6	179.4	159.4	0	0	106.2	G105 V109	G105-E107 VanDerWaalsContact C-N 3.33Å; G105-E107 PolarHBondContact O-N 3.43Å; G105-E107 VanDerWaalsContact O-N 3.17Å; E107-V109 VanDerWaalsContact C-N 3.34Å; E107-V109 PolarHBondContact O-N 2.91Å
108	E	42.2	Very low	57.8	Low	188 Å²	188	115.5 Å²	115.5	88%	0.879	61%	0.605	S	S	*	*			trans	-46.5	102.4	174.9	-91.7	-175.4	141.6	0	0	108.2	D106 V110	D106-E108 PolarHBondContact O-N 2.9Å; D106-E108 VanDerWaalsContact O-N 3.13Å; E108-V110 VanDerWaalsContact C-N 3.29Å; E108-V110 PolarHBondContact O-N 3.03Å
109	V	57.3	Low	61.1	Low	76 Å²	76	113.2 Å²	113.2	46%	0.461	58%	0.576	S	S	.	*			trans	-65.7	100.4	178.4	178.7	0	0	0	0	105.2	E107 Q111 F156	E107-V109 VanDerWaalsContact C-N 3.34Å; E107-V109 PolarHBondContact O-N 2.91Å; V109-Q111 PolarHBondContact O-N 2.89Å; V109-F156 HydrophobicContact CG1-CE2 4.15Å; V109-F156 HydrophobicContact CG1-CZ 3.86Å
110	V	75.8	Confident	64.2	Low	115 Å²	115	106 Å²	106	70%	0.697	56%	0.556	S	S	*	*			trans	-46.7	118.7	177	177.9	0	0	0	0	107.1	E108 P112	E108-V110 VanDerWaalsContact C-N 3.29Å; E108-V110 PolarHBondContact O-N 3.03Å; V110-P112 WeakPolarHBondContact O-CD 3.28Å
111	Q	90.6	Very high	67.4	Low	79 Å²	79	94.7 Å²	94.7	37%	0.369	52%	0.515	S	S	.	.			trans	-87.6	97.2	-177.8	-69	179.8	-3.5	0	0	108	V109 W113 K114	V109-Q111 PolarHBondContact O-N 2.89Å; Q111-W113 HydrophobicContact CB-CD2 4.3Å; Q111-W113 HydrophobicContact CB-CH2 4.13Å; Q111-W113 HydrophobicContact CB-CZ2 3.7Å; Q111-W113 HydrophobicContact CG-CH2 4.04Å; Q111-W113 HydrophobicContact CG-CZ2 3.64Å; Q111-W113 PolarHBondContact O-N 3.11Å; Q111-W113 VanDerWaalsContact O-N 3.08Å; Q111-K114 HydrophobicContact CB-CD 4.1Å; Q111-K114 HydrophobicContact CB-CG 4.15Å; Q111-K114 WeakPolarHBondContact O-CB 3.38Å; Q111-K114 PolarHBondContact O-N 3.13Å
112	P	91.1	Very high	70.6	Confident	18 Å²	18	85.6 Å²	85.6	12%	0.117	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-61.2	-26.5	-167.3	21.3	-33.4	0	0	0	114.2	V110 K114 N115 P119 F156 V158	V110-P112 WeakPolarHBondContact O-CD 3.28Å; P112-K114 VanDerWaalsContact C-N 3.25Å; P112-K114 PolarHBondContact O-N 2.97Å; P112-N115 PolarHBondContact O-N 3.41Å; P112-P119 HydrophobicContact CB-CB 4.35Å; P112-P119 HydrophobicContact CB-CG 3.5Å; P112-P119 HydrophobicContact CG-CG 4.46Å; P112-F156 HydrophobicContact CG-CB 3.9Å; P112-F156 HydrophobicContact CG-CD2 3.86Å; P112-F156 HydrophobicContact CG-CG 3.9Å; P112-V158 HydrophobicContact CB-CG2 4.4Å; P112-V158 HydrophobicContact CG-CG2 4.11Å
113	W	92.9	Very high	73.8	Confident	13 Å²	13	85.4 Å²	85.4	5%	0.049	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-75.3	-7	179.5	57.9	84.3	0	0	0	114.4	Q111 N115 F156 V158 F196 F198 N201 M203 V205	Q111-W113 HydrophobicContact CB-CD2 4.3Å; Q111-W113 HydrophobicContact CB-CH2 4.13Å; Q111-W113 HydrophobicContact CB-CZ2 3.7Å; Q111-W113 HydrophobicContact CG-CH2 4.04Å; Q111-W113 HydrophobicContact CG-CZ2 3.64Å; Q111-W113 PolarHBondContact O-N 3.11Å; Q111-W113 VanDerWaalsContact O-N 3.08Å; W113-N115 VanDerWaalsContact C-N 3.31Å; W113-F156 HydrophobicContact CH2-CD1 4.44Å; W113-F156 HydrophobicContact CH2-CE1 4.1Å; W113-F156 AromaticContact CZ3-CD1 3.65Å; W113-F156 HydrophobicContact CZ3-CD1 3.65Å; W113-F156 AromaticContact CZ3-CE1 3.73Å; W113-F156 HydrophobicContact CZ3-CE1 3.73Å; W113-F156 HydrophobicContact CZ3-CG 4.29Å; W113-F156 HydrophobicContact CZ3-CZ 4.43Å; W113-V158 HydrophobicContact CB-CG1 4.01Å; W113-V158 HydrophobicContact CB-CG2 4.25Å; W113-V158 HydrophobicContact CE3-CG2 4.42Å; W113-F196 HydrophobicContact CD2-CZ 4.38Å; W113-F196 AromaticContact CE2-CZ 3.94Å; W113-F196 HydrophobicContact CH2-CZ 4.37Å; W113-F196 AromaticContact CZ2-CZ 3.94Å; W113-F196 HydrophobicContact CZ2-CZ 3.94Å; W113-F198 AromaticContact CD1-CD2 3.81Å; W113-F198 AromaticContact CD1-CG 3.84Å; W113-F198 WeakPolarHBondContact O-CD1 3.48Å; W113-F198 VanDerWaalsContact O-CE1 3.25Å; W113-F198 WeakPolarHBondContact O-CE1 3.36Å; W113-N201 PolarHBondContact O-ND2 3Å; W113-M203 HydrophobicContact CB-SD 4.24Å; W113-V205 HydrophobicContact CB-CG2 3.56Å; W113-V205 HydrophobicContact CD2-CG1 4.05Å; W113-V205 HydrophobicContact CD2-CG2 3.89Å; W113-V205 HydrophobicContact CE3-CB 4.47Å; W113-V205 HydrophobicContact CE3-CG1 3.51Å; W113-V205 HydrophobicContact CE3-CG2 4.1Å; W113-V205 HydrophobicContact CG-CG2 3.65Å; W113-V205 HydrophobicContact CZ3-CG1 3.86Å
114	K	92	Very high	77.1	Confident	129 Å²	129	77.7 Å²	77.7	56%	0.561	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-76	-22.2	172.1	-76.5	-175.7	164.8	164	0	112.6	Q111 P112 N201	Q111-K114 HydrophobicContact CB-CD 4.1Å; Q111-K114 HydrophobicContact CB-CG 4.15Å; Q111-K114 WeakPolarHBondContact O-CB 3.38Å; Q111-K114 PolarHBondContact O-N 3.13Å; P112-K114 VanDerWaalsContact C-N 3.25Å; P112-K114 PolarHBondContact O-N 2.97Å; K114-N201 PolarHBondContact O-ND2 3.18Å
115	N	90.8	Very high	80.1	Confident	100 Å²	100	71.2 Å²	71.2	54%	0.535	38%	0.383	S	S	.	.	S	Bend	trans	-75.2	145.6	172.2	-64	-21.6	0	0	0	109.7	P112 W113 R117 N201 M203	P112-N115 PolarHBondContact O-N 3.41Å; W113-N115 VanDerWaalsContact C-N 3.31Å; N115-R117 VanDerWaalsContact C-N 3.29Å; N115-N201 PolarHBondContact O-ND2 3.23Å; N115-N201 VanDerWaalsContact O-ND2 3.09Å; N115-M203 VanDerWaalsContact O-CE 3.3Å; N115-M203 WeakPolarHBondContact O-CE 3.43Å
116	S	87.6	Confident	83.3	Confident	35 Å²	35	69.3 Å²	69.3	25%	0.245	36%	0.355	C	S	.	.	S	Bend	trans	-72.6	-23.9	178.2	-54.1	0	0	0	0	113	M203 E500 Q501	S116-M203 WeakPolarHBondContact O-CE 3.27Å; S116-E500 WeakPolarHBondContact CB-O 3.2Å; S116-Q501 WeakPolarHBondContact OG-CG 3.32Å
117	R	91.9	Very high	86.4	Confident	83 Å²	83	62 Å²	62	31%	0.313	32%	0.316	S	S	.	.	S	Bend	trans	-93.3	144.6	174.7	-62.4	-63.2	-60.3	-88.1	1	111.5	N115 E268 W442	N115-R117 VanDerWaalsContact C-N 3.29Å; R117-E268 IonicContact CZ-OE2 3.91Å; R117-E268 IonicContact NE-OE1 3.84Å; R117-E268 PolarHBondContact NE-OE1 2.9Å; R117-E268 IonicContact NE-OE2 2.79Å; R117-E268 PolarHBondContact NE-OE2 3.26Å; R117-E268 IonicContact NH2-OE2 3.92Å; R117-E268 PolarHBondContact NH2-OE2 2.68Å; R117-W442 VanDerWaalsContact CZ-CE2 3.44Å; R117-W442 VanDerWaalsContact NH1-CD2 3.33Å; R117-W442 VanDerWaalsContact NH2-CE3 3.34Å
118	L	94.8	Very high	89.3	Confident	12 Å²	12	54.9 Å²	54.9	6%	0.063	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-65.7	146.9	175.7	-66.6	178.7	0	0	0	111.6	V158 H160 M203 F266 E268 Y271	L118-V158 HydrophobicContact CD2-CB 4.46Å; L118-V158 HydrophobicContact CD2-CG1 3.98Å; L118-H160 VanDerWaalsContact CG-CE1 3.47Å; L118-H160 WeakPolarHBondContact CG-CE1 3.5Å; L118-M203 HydrophobicContact CD2-CE 3.94Å; L118-M203 HydrophobicContact CD2-SD 4.36Å; L118-F266 HydrophobicContact CD1-CB 4.05Å; L118-F266 HydrophobicContact CD1-CD1 3.82Å; L118-F266 HydrophobicContact CD1-CG 4.29Å; L118-E268 HydrophobicContact CD1-CG 4.2Å; L118-E268 HydrophobicContact CG-CG 4.41Å; L118-E268 PolarHBondContact N-OE1 3Å; L118-Y271 HydrophobicContact CB-CE2 3.93Å; L118-Y271 HydrophobicContact CD1-CD2 4.19Å; L118-Y271 HydrophobicContact CD1-CE2 3.97Å
119	P	94.9	Very high	92	Very high	29 Å²	29	46 Å²	46	19%	0.188	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-68.8	134.3	175	-17.9	32.3	0	0	0	112	P112 S121 V158 Y271	P112-P119 HydrophobicContact CB-CB 4.35Å; P112-P119 HydrophobicContact CB-CG 3.5Å; P112-P119 HydrophobicContact CG-CG 4.46Å; P119-S121 PolarHBondContact O-N 3.25Å; P119-V158 HydrophobicContact CG-CB 4.22Å; P119-V158 HydrophobicContact CG-CG2 4.14Å; P119-Y271 PolarHBondContact O-OH 3.06Å
120	G	93.7	Very high	94	Very high	48 Å²	48	48.4 Å²	48.4	50%	0.495	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	8.4	174	0	0	0	0	0	115.7
121	S	95.8	Very high	95.1	Very high	17 Å²	17	43.2 Å²	43.2	12%	0.119	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-25	-175.1	54.4	0	0	0	0	114.1	P119 V151 N152	P119-S121 PolarHBondContact O-N 3.25Å; S121-V151 PolarHBondContact O-N 3.48Å; S121-N152 PolarHBondContact O-N 3.41Å; S121-N152 VanDerWaalsContact O-N 3.11Å
122	V	96.7	Very high	95.4	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.2	177.5	-69.8	0	0	0	0	109.7	E149 T154 I157 L212 F266	V122-E149 CarbonylContact C-O 3.58Å; V122-E149 WeakPolarHBondContact CA-O 3.41Å; V122-T154 HydrophobicContact CG1-CG2 3.91Å; V122-I157 HydrophobicContact CG2-CG2 4.47Å; V122-L212 HydrophobicContact CG1-CD1 3.63Å; V122-F266 HydrophobicContact CG2-CE1 3.75Å; V122-F266 HydrophobicContact CG2-CZ 3.83Å
123	R	96.3	Very high	95.8	Very high	65 Å²	65	39.1 Å²	39.1	25%	0.245	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	133.5	-178.7	178	177.4	173.2	-178.7	-1.6	111	E149 V151 Y271	R123-E149 PolarHBondContact N-O 2.86Å; R123-E149 PolarHBondContact O-N 2.89Å; R123-V151 HydrophobicContact CB-CG2 4.15Å; R123-Y271 HydrophobicContact CG-CD1 4.31Å
124	P	97.9	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	143.3	174.7	32.9	-38	0	0	0	111.8	Y127 I146 E147 L148 F266 A273	P124-Y127 HydrophobicContact CB-CE2 3.66Å; P124-Y127 HydrophobicContact CG-CE2 4.18Å; P124-I146 HydrophobicContact CB-CG2 4.09Å; P124-E147 WeakPolarHBondContact CA-O 3.34Å; P124-L148 HydrophobicContact CB-CD2 4.4Å; P124-F266 HydrophobicContact CB-CD2 4.11Å; P124-F266 HydrophobicContact CG-CB 3.93Å; P124-F266 HydrophobicContact CG-CD2 4.03Å; P124-F266 HydrophobicContact CG-CG 3.97Å; P124-A273 HydrophobicContact CB-CB 4.2Å; P124-A273 HydrophobicContact CG-CB 4.4Å
125	R	97.9	Very high	96.1	Very high	89 Å²	89	36.5 Å²	36.5	34%	0.336	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-37.9	173.9	-65.5	-57.8	-169.9	167.5	0.2	111.8	E147 E149 L217 T274	R125-E147 HydrophobicContact CB-CB 4.48Å; R125-E147 HydrophobicContact CB-CG 4.35Å; R125-E147 WeakPolarHBondContact CB-OE1 3.3Å; R125-E147 PolarHBondContact N-O 3.04Å; R125-E149 HydrophobicContact CG-CB 4.21Å; R125-E149 IonicContact CZ-OE2 2.67Å; R125-E149 IonicContact NE-OE2 3Å; R125-E149 PolarHBondContact NE-OE2 2.98Å; R125-E149 IonicContact NH2-OE1 2.87Å; R125-E149 IonicContact NH2-OE2 3.77Å; R125-E149 PolarHBondContact NH2-OE2 3.12Å; R125-L217 HydrophobicContact CG-CD2 4.35Å; R125-T274 PolarHBondContact O-N 3.04Å; R125-T274 PolarHBondContact O-OG1 3.15Å
126	H	98.7	Very high	96.2	Very high	29 Å²	29	38.5 Å²	38.5	13%	0.134	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	147.2	-179.7	-176.8	52.5	0	0	0	112	I146 E147 T274 S276	H126-I146 WeakPolarHBondContact O-CA 3.35Å; H126-E147 HydrophobicContact CB-CB 4.04Å; H126-E147 PolarHBondContact O-N 2.99Å; H126-T274 CarbonylContact C-O 3.5Å; H126-T274 VanDerWaalsContact CA-O 3.31Å; H126-T274 WeakPolarHBondContact CA-O 3.31Å; H126-T274 PolarHBondContact ND1-O 3.1Å; H126-T274 PolarHBondContact ND1-OG1 3.32Å; H126-S276 PolarHBondContact CE1-OG 2.94Å
127	Y	98.8	Very high	96.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.8	170	-65	-99.7	0	0	0	109	P124 V144 I146 F263 C265 F266 A273 T274 F275 S276	P124-Y127 HydrophobicContact CB-CE2 3.66Å; P124-Y127 HydrophobicContact CG-CE2 4.18Å; Y127-V144 HydrophobicContact CD1-CG2 3.91Å; Y127-I146 HydrophobicContact CD1-CB 4.37Å; Y127-I146 HydrophobicContact CD1-CD1 4.1Å; Y127-I146 HydrophobicContact CD1-CG1 3.7Å; Y127-I146 HydrophobicContact CD1-CG2 4.04Å; Y127-I146 HydrophobicContact CE1-CB 4.38Å; Y127-I146 HydrophobicContact CE1-CD1 3.66Å; Y127-I146 HydrophobicContact CE1-CG1 3.75Å; Y127-I146 HydrophobicContact CE1-CG2 3.77Å; Y127-F263 HydrophobicContact CD1-CE2 4.15Å; Y127-F263 HydrophobicContact CE1-CE2 4.27Å; Y127-C265 HydrophobicContact CE1-CB 3.89Å; Y127-F266 WeakPolarHBondContact OH-CD2 3.38Å; Y127-F266 PolarHBondContact OH-N 2.95Å; Y127-F266 VanDerWaalsContact OH-N 3.09Å; Y127-A273 HydrophobicContact CD2-CB 3.63Å; Y127-A273 HydrophobicContact CE2-CB 3.48Å; Y127-A273 VanDerWaalsContact CE2-CB 3.48Å; Y127-T274 PolarHBondContact N-O 3.01Å; Y127-F275 HydrophobicContact CD1-CE1 4.31Å; Y127-F275 AromaticContact CD2-CD1 3.79Å; Y127-F275 HydrophobicContact CD2-CD1 3.79Å; Y127-F275 AromaticContact CD2-CE1 3.29Å; Y127-F275 HydrophobicContact CD2-CE1 3.29Å; Y127-F275 AromaticContact CD2-CZ 3.71Å; Y127-F275 HydrophobicContact CD2-CZ 3.71Å; Y127-F275 AromaticContact CE2-CE1 3.8Å; Y127-F275 HydrophobicContact CE2-CE1 3.8Å; Y127-F275 AromaticContact CE2-CZ 3.9Å; Y127-F275 HydrophobicContact CE2-CZ 3.9Å; Y127-F275 AromaticContact CG-CD1 3.83Å; Y127-F275 HydrophobicContact CG-CD1 3.83Å; Y127-F275 AromaticContact CG-CE1 3.59Å; Y127-F275 HydrophobicContact CG-CE1 3.59Å; Y127-F275 HydrophobicContact CG-CZ 4.45Å; Y127-F275 CarbonylContact O-C 3.59Å; Y127-F275 WeakPolarHBondContact O-CA 3.36Å; Y127-S276 PolarHBondContact O-N 3.42Å
128	D	98.6	Very high	96.8	Very high	25 Å²	25	39.2 Å²	39.2	13%	0.134	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	109.6	162.8	-179.1	4.2	0	0	0	107.2	R130 V144 S145	D128-R130 IonicContact OD1-NE 2.71Å; D128-R130 IonicContact OD2-CZ 3.87Å; D128-R130 IonicContact OD2-NE 3.25Å; D128-R130 IonicContact OD2-NH2 3.32Å; D128-R130 PolarHBondContact OD2-NH2 2.98Å; D128-V144 WeakPolarHBondContact O-CA 3.3Å; D128-S145 PolarHBondContact N-O 3.37Å; D128-S145 PolarHBondContact O-N 2.95Å
129	L	98.5	Very high	96.9	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.5	-174.5	-173.8	62.1	0	0	0	109.6	L131 V144 F224 F263 S276 L277 S278 L319 W321	L129-L131 HydrophobicContact CD1-CD2 3.78Å; L129-L131 HydrophobicContact CD1-CG 4.37Å; L129-L131 HydrophobicContact CD2-CD1 4.12Å; L129-L131 HydrophobicContact CD2-CD2 4.39Å; L129-L131 HydrophobicContact CD2-CG 4.33Å; L129-L131 HydrophobicContact CG-CD1 4.33Å; L129-L131 HydrophobicContact CG-CD2 3.96Å; L129-L131 HydrophobicContact CG-CG 3.98Å; L129-V144 HydrophobicContact CD1-CB 3.8Å; L129-V144 HydrophobicContact CD1-CG2 4.1Å; L129-F224 HydrophobicContact CD1-CZ 4.37Å; L129-F263 HydrophobicContact CD1-CB 3.99Å; L129-F263 HydrophobicContact CD1-CD2 4.45Å; L129-F263 HydrophobicContact CD1-CG 4.25Å; L129-F263 HydrophobicContact CD2-CD1 4.08Å; L129-F263 HydrophobicContact CD2-CD2 4.45Å; L129-F263 HydrophobicContact CD2-CE1 4.43Å; L129-F263 HydrophobicContact CD2-CG 4.12Å; L129-S276 PolarHBondContact N-O 2.96Å; L129-L277 HydrophobicContact CB-CD1 4.01Å; L129-L277 HydrophobicContact CD2-CD1 3.84Å; L129-L277 HydrophobicContact CG-CD1 3.89Å; L129-L277 CarbonylContact O-C 3.5Å; L129-L277 WeakPolarHBondContact O-CA 3.44Å; L129-S278 PolarHBondContact O-N 3.16Å; L129-L319 HydrophobicContact CD2-CD2 4.29Å; L129-W321 HydrophobicContact CD2-CH2 3.97Å; L129-W321 HydrophobicContact CD2-CZ3 3.95Å
130	R	98.6	Very high	97.1	Very high	127 Å²	127	39.4 Å²	39.4	48%	0.479	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.7	177.8	-58.3	-179.7	-170.8	169.6	5.3	108.6	D128 G142 E143 S278	D128-R130 IonicContact OD1-NE 2.71Å; D128-R130 IonicContact OD2-CZ 3.87Å; D128-R130 IonicContact OD2-NE 3.25Å; D128-R130 IonicContact OD2-NH2 3.32Å; D128-R130 PolarHBondContact OD2-NH2 2.98Å; R130-G142 CarbonylContact O-C 3.54Å; R130-G142 VanDerWaalsContact O-CA 3.3Å; R130-G142 WeakPolarHBondContact O-CA 3.37Å; R130-E143 PolarHBondContact N-O 3.28Å; R130-E143 PolarHBondContact O-N 2.88Å; R130-S278 WeakPolarHBondContact CA-O 3.13Å
131	L	98.4	Very high	97.3	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.8	-178.2	-52.1	176.8	0	0	0	110.1	L129 F140 S141 F224 L277 S278 L279 R280 W321	L129-L131 HydrophobicContact CD1-CD2 3.78Å; L129-L131 HydrophobicContact CD1-CG 4.37Å; L129-L131 HydrophobicContact CD2-CD1 4.12Å; L129-L131 HydrophobicContact CD2-CD2 4.39Å; L129-L131 HydrophobicContact CD2-CG 4.33Å; L129-L131 HydrophobicContact CG-CD1 4.33Å; L129-L131 HydrophobicContact CG-CD2 3.96Å; L129-L131 HydrophobicContact CG-CG 3.98Å; L131-F140 HydrophobicContact CD2-CD2 4.43Å; L131-S141 CarbonylContact C-O 3.57Å; L131-S141 WeakPolarHBondContact CA-O 3.41Å; L131-F224 HydrophobicContact CD2-CE2 4.49Å; L131-F224 HydrophobicContact CD2-CZ 4.02Å; L131-L277 HydrophobicContact CD1-CD1 4.19Å; L131-L277 HydrophobicContact CG-CD1 4.38Å; L131-S278 PolarHBondContact N-O 3.23Å; L131-L279 HydrophobicContact CB-CD2 3.8Å; L131-L279 HydrophobicContact CD1-CD2 3.83Å; L131-L279 HydrophobicContact CG-CD2 4.17Å; L131-R280 PolarHBondContact O-N 3.43Å; L131-W321 HydrophobicContact CD1-CD2 4.24Å; L131-W321 HydrophobicContact CD1-CH2 3.85Å; L131-W321 HydrophobicContact CD1-CZ2 3.38Å; L131-W321 HydrophobicContact CD1-CZ3 4.47Å
132	A	98.1	Very high	97.4	Very high	9 Å²	9	38.1 Å²	38.1	7%	0.074	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.3	164.6	0	0	0	0	0	109	Y134 F140 S141 R280	A132-Y134 HydrophobicContact CB-CE2 4.11Å; A132-F140 WeakPolarHBondContact O-CA 3.5Å; A132-F140 WeakPolarHBondContact O-CB 3.44Å; A132-S141 PolarHBondContact N-O 3.39Å; A132-S141 PolarHBondContact O-N 3.2Å; A132-R280 WeakPolarHBondContact CA-O 3.39Å; A132-R280 HydrophobicContact CB-CB 4.11Å; A132-R280 HydrophobicContact CB-CG 4.42Å
133	V	98	Very high	97.5	Very high	2 Å²	2	42 Å²	42	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.6	-171.2	-178.1	0	0	0	0	110	M135 I228 F235 R280 W303 V323	V133-M135 HydrophobicContact CG1-CG 4.43Å; V133-M135 HydrophobicContact CG1-SD 4.05Å; V133-I228 HydrophobicContact CG1-CD1 3.77Å; V133-F235 HydrophobicContact CG1-CE1 4.15Å; V133-F235 HydrophobicContact CG1-CZ 3.95Å; V133-F235 HydrophobicContact CG2-CE1 4Å; V133-F235 HydrophobicContact CG2-CZ 4.05Å; V133-R280 PolarHBondContact N-O 3.01Å; V133-W303 VanDerWaalsContact O-CZ3 3.25Å; V133-W303 WeakPolarHBondContact O-CZ3 3.36Å; V133-V323 HydrophobicContact CB-CG2 4.31Å; V133-V323 HydrophobicContact CG1-CB 4.45Å; V133-V323 HydrophobicContact CG1-CG2 4.18Å; V133-V323 HydrophobicContact CG2-CG2 4.15Å
134	Y	96.9	Very high	97.6	Very high	74 Å²	74	38.9 Å²	38.9	29%	0.29	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	100.3	-177.6	-54.3	-77.1	0	0	0	110.3	A132 N137 F138 T139 W303	A132-Y134 HydrophobicContact CB-CE2 4.11Å; Y134-N137 WeakPolarHBondContact CB-OD1 3.5Å; Y134-N137 PolarHBondContact O-OD1 3.47Å; Y134-F138 VanDerWaalsContact O-CA 3.31Å; Y134-F138 WeakPolarHBondContact O-CA 3.37Å; Y134-F138 PolarHBondContact O-N 2.93Å; Y134-T139 WeakPolarHBondContact CA-O 3.34Å; Y134-T139 WeakPolarHBondContact CB-O 3.48Å; Y134-T139 PolarHBondContact N-O 2.98Å; Y134-T139 PolarHBondContact O-N 2.83Å; Y134-T139 VanDerWaalsContact O-N 3.1Å; Y134-W303 AromaticContact CD1-CH2 3.52Å; Y134-W303 HydrophobicContact CD1-CH2 3.52Å; Y134-W303 HydrophobicContact CD1-CZ2 4.01Å; Y134-W303 HydrophobicContact CD1-CZ3 4.26Å; Y134-W303 AromaticContact CE1-CH2 3.91Å; Y134-W303 HydrophobicContact CE1-CH2 3.91Å; Y134-W303 HydrophobicContact CE1-CZ2 4.22Å; Y134-W303 HydrophobicContact CE1-CZ3 4.39Å; Y134-W303 HydrophobicContact CG-CH2 4.48Å
135	M	95.6	Very high	97.6	Very high	13 Å²	13	39.8 Å²	39.8	6%	0.064	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-20.8	-176.5	-66.9	-62	-69.1	0	0	113.6	V133 F138 I228 A250 Y285 V323	V133-M135 HydrophobicContact CG1-CG 4.43Å; V133-M135 HydrophobicContact CG1-SD 4.05Å; M135-F138 WeakPolarHBondContact O-CD1 3.44Å; M135-F138 WeakPolarHBondContact O-CE1 3.37Å; M135-I228 HydrophobicContact SD-CD1 4.32Å; M135-A250 HydrophobicContact CE-CB 4.32Å; M135-A250 HydrophobicContact SD-CB 3.9Å; M135-Y285 HydrophobicContact CB-CE2 3.95Å; M135-Y285 HydrophobicContact CE-CE1 4.07Å; M135-Y285 HydrophobicContact CG-CD2 4.35Å; M135-Y285 HydrophobicContact CG-CE1 4.09Å; M135-Y285 HydrophobicContact CG-CE2 3.87Å; M135-V323 HydrophobicContact CG-CG1 4.47Å
136	D	93.1	Very high	97.6	Very high	142 Å²	142	35.5 Å²	35.5	76%	0.759	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-36.6	-178	-65.7	-27.2	0	0	0	113.1
137	N	95	Very high	97.6	Very high	97 Å²	97	36.1 Å²	36.1	52%	0.519	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	1.3	178.8	69.8	-7	0	0	0	112.9	Y134 T139	Y134-N137 WeakPolarHBondContact CB-OD1 3.5Å; Y134-N137 PolarHBondContact O-OD1 3.47Å; N137-T139 PolarHBondContact ND2-OG1 3.42Å; N137-T139 PolarHBondContact OD1-N 3.16Å; N137-T139 PolarHBondContact OD1-OG1 3.15Å
138	F	96.8	Very high	97.5	Very high	35 Å²	35	36.1 Å²	36.1	15%	0.154	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	54.6	-178	-54.6	-73.4	0	0	0	112.9	Y134 M135 I228 R237 Y248	Y134-F138 VanDerWaalsContact O-CA 3.31Å; Y134-F138 WeakPolarHBondContact O-CA 3.37Å; Y134-F138 PolarHBondContact O-N 2.93Å; M135-F138 WeakPolarHBondContact O-CD1 3.44Å; M135-F138 WeakPolarHBondContact O-CE1 3.37Å; F138-I228 HydrophobicContact CB-CB 4.25Å; F138-I228 PolarHBondContact O-N 2.91Å; F138-R237 HydrophobicContact CD1-CB 4.28Å; F138-R237 VanDerWaalsContact CD1-CD 3.42Å; F138-R237 HydrophobicContact CD1-CG 4.47Å; F138-R237 VanDerWaalsContact CE2-NH1 3.34Å; F138-Y248 AromaticContact CE1-CD1 3.77Å; F138-Y248 HydrophobicContact CE1-CD1 3.77Å; F138-Y248 HydrophobicContact CE1-CD2 4.28Å; F138-Y248 HydrophobicContact CE1-CE1 4.32Å; F138-Y248 AromaticContact CE1-CG 3.75Å; F138-Y248 HydrophobicContact CE1-CG 3.75Å; F138-Y248 AromaticContact CZ-CD1 3.74Å; F138-Y248 HydrophobicContact CZ-CD1 3.74Å; F138-Y248 AromaticContact CZ-CD2 3.89Å; F138-Y248 HydrophobicContact CZ-CD2 3.89Å; F138-Y248 AromaticContact CZ-CE1 3.86Å; F138-Y248 HydrophobicContact CZ-CE1 3.86Å; F138-Y248 AromaticContact CZ-CE2 4Å; F138-Y248 HydrophobicContact CZ-CE2 4Å; F138-Y248 AromaticContact CZ-CG 3.76Å; F138-Y248 HydrophobicContact CZ-CG 3.76Å; F138-Y248 AromaticContact CZ-CZ 3.99Å
139	T	97.6	Very high	97.5	Very high	44 Å²	44	37 Å²	37	27%	0.27	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	163.9	175.4	62.5	0	0	0	0	110.8	Y134 N137 A226	Y134-T139 WeakPolarHBondContact CA-O 3.34Å; Y134-T139 WeakPolarHBondContact CB-O 3.48Å; Y134-T139 PolarHBondContact N-O 2.98Å; Y134-T139 PolarHBondContact O-N 2.83Å; Y134-T139 VanDerWaalsContact O-N 3.1Å; N137-T139 PolarHBondContact ND2-OG1 3.42Å; N137-T139 PolarHBondContact OD1-N 3.16Å; N137-T139 PolarHBondContact OD1-OG1 3.15Å; T139-A226 CarbonylContact C-O 3.6Å; T139-A226 WeakPolarHBondContact CA-O 3.33Å
140	F	98.1	Very high	97.4	Very high	2 Å²	2	37 Å²	37	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	145.8	170.5	70.3	-75.2	0	0	0	110.9	L131 A132 F224 A226 A227 I228 F235 A262	L131-F140 HydrophobicContact CD2-CD2 4.43Å; A132-F140 WeakPolarHBondContact O-CA 3.5Å; A132-F140 WeakPolarHBondContact O-CB 3.44Å; F140-F224 AromaticContact CE2-CE2 3.91Å; F140-F224 HydrophobicContact CE2-CE2 3.91Å; F140-A226 HydrophobicContact CD1-CB 4.11Å; F140-A226 WeakPolarHBondContact CD1-O 3.01Å; F140-A226 HydrophobicContact CE1-CB 3.4Å; F140-A226 HydrophobicContact CE2-CB 4.3Å; F140-A226 HydrophobicContact CZ-CB 3.5Å; F140-A226 PolarHBondContact N-O 3.39Å; F140-A226 PolarHBondContact O-N 3.45Å; F140-A227 WeakPolarHBondContact CE1-O 3.4Å; F140-I228 HydrophobicContact CB-CG1 4.46Å; F140-I228 HydrophobicContact CD1-CG1 3.77Å; F140-F235 HydrophobicContact CB-CD1 4.5Å; F140-F235 HydrophobicContact CB-CE1 4.14Å; F140-F235 AromaticContact CD1-CD1 3.65Å; F140-F235 HydrophobicContact CD1-CD1 3.65Å; F140-F235 HydrophobicContact CD1-CE1 4.08Å; F140-F235 HydrophobicContact CD2-CD1 4.07Å; F140-F235 HydrophobicContact CD2-CE1 4.38Å; F140-F235 HydrophobicContact CE1-CB 4.43Å; F140-F235 AromaticContact CE1-CD1 3.75Å; F140-F235 HydrophobicContact CE1-CD1 3.75Å; F140-F235 HydrophobicContact CE2-CD1 4.14Å; F140-F235 AromaticContact CG-CD1 3.81Å; F140-F235 HydrophobicContact CG-CD1 3.81Å; F140-F235 AromaticContact CG-CE1 3.96Å; F140-F235 HydrophobicContact CG-CE1 3.96Å; F140-F235 HydrophobicContact CZ-CB 4.38Å; F140-F235 AromaticContact CZ-CD1 4Å; F140-F235 HydrophobicContact CZ-CD1 4Å; F140-A262 VanDerWaalsContact CE2-O 3.31Å; F140-A262 WeakPolarHBondContact CE2-O 3.48Å
141	S	98	Very high	97.3	Very high	30 Å²	30	33.9 Å²	33.9	21%	0.21	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142	175.1	67.1	0	0	0	0	109.2	L131 A132 D225	L131-S141 CarbonylContact C-O 3.57Å; L131-S141 WeakPolarHBondContact CA-O 3.41Å; A132-S141 PolarHBondContact N-O 3.39Å; A132-S141 PolarHBondContact O-N 3.2Å; S141-D225 WeakPolarHBondContact CA-OD1 3.21Å; S141-D225 WeakPolarHBondContact CB-OD1 3.27Å
142	G	97.8	Very high	97.2	Very high	7 Å²	7	38.4 Å²	38.4	7%	0.072	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	148.6	-176.7	0	0	0	0	0	114.4	R130 S223 F224	R130-G142 CarbonylContact O-C 3.54Å; R130-G142 VanDerWaalsContact O-CA 3.3Å; R130-G142 WeakPolarHBondContact O-CA 3.37Å; G142-S223 CarbonylContact O-C 3.56Å; G142-S223 VanDerWaalsContact O-CA 3.28Å; G142-S223 WeakPolarHBondContact O-CA 3.29Å; G142-F224 PolarHBondContact N-O 3.01Å; G142-F224 PolarHBondContact O-N 3.49Å
143	E	98.4	Very high	97.1	Very high	83 Å²	83	40.7 Å²	40.7	39%	0.388	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125	162.5	-173.7	178.9	-172.9	0	0	108.7	R130 V222	R130-E143 PolarHBondContact N-O 3.28Å; R130-E143 PolarHBondContact O-N 2.88Å; E143-V222 WeakPolarHBondContact CA-O 3.43Å
144	V	98.5	Very high	97	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.3	173.9	65.2	0	0	0	0	110.3	Y127 D128 L129 I146 N221 V222 F224 F263	Y127-V144 HydrophobicContact CD1-CG2 3.91Å; D128-V144 WeakPolarHBondContact O-CA 3.3Å; L129-V144 HydrophobicContact CD1-CB 3.8Å; L129-V144 HydrophobicContact CD1-CG2 4.1Å; V144-I146 HydrophobicContact CG2-CD1 4.37Å; V144-I146 HydrophobicContact CG2-CG1 3.79Å; V144-N221 CarbonylContact O-C 3.56Å; V144-N221 VanDerWaalsContact O-CA 3.31Å; V144-N221 WeakPolarHBondContact O-CA 3.26Å; V144-V222 HydrophobicContact CG1-CB 3.87Å; V144-V222 HydrophobicContact CG1-CG2 4.45Å; V144-V222 PolarHBondContact N-O 3.4Å; V144-V222 PolarHBondContact O-N 3.12Å; V144-F224 HydrophobicContact CB-CE1 4.35Å; V144-F224 HydrophobicContact CG1-CE1 4.11Å; V144-F263 HydrophobicContact CG2-CD2 4.32Å
145	S	98.4	Very high	96.9	Very high	19 Å²	19	42.9 Å²	42.9	13%	0.133	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	112.4	169.9	158.9	0	0	0	0	109.1	D128 R219 L220 N221	D128-S145 PolarHBondContact N-O 3.37Å; D128-S145 PolarHBondContact O-N 2.95Å; S145-R219 WeakPolarHBondContact OG-CD 3.48Å; S145-R219 WeakPolarHBondContact OG-CG 3.48Å; S145-L220 CarbonylContact C-O 3.33Å; S145-L220 WeakPolarHBondContact CA-O 3.46Å; S145-N221 WeakPolarHBondContact CB-OD1 3.4Å; S145-N221 PolarHBondContact OG-OD1 3.15Å
146	I	98.4	Very high	96.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.6	-177.7	-44.2	176.9	0	0	0	109.6	P124 H126 Y127 V144 L148 L159 R219 L220	P124-I146 HydrophobicContact CB-CG2 4.09Å; H126-I146 WeakPolarHBondContact O-CA 3.35Å; Y127-I146 HydrophobicContact CD1-CB 4.37Å; Y127-I146 HydrophobicContact CD1-CD1 4.1Å; Y127-I146 HydrophobicContact CD1-CG1 3.7Å; Y127-I146 HydrophobicContact CD1-CG2 4.04Å; Y127-I146 HydrophobicContact CE1-CB 4.38Å; Y127-I146 HydrophobicContact CE1-CD1 3.66Å; Y127-I146 HydrophobicContact CE1-CG1 3.75Å; Y127-I146 HydrophobicContact CE1-CG2 3.77Å; V144-I146 HydrophobicContact CG2-CD1 4.37Å; V144-I146 HydrophobicContact CG2-CG1 3.79Å; I146-L148 HydrophobicContact CB-CD2 4.35Å; I146-L148 HydrophobicContact CB-CG 4.47Å; I146-L148 HydrophobicContact CG2-CD2 3.54Å; I146-L148 HydrophobicContact CG2-CG 4.1Å; I146-L159 HydrophobicContact CD1-CD1 4.29Å; I146-R219 WeakPolarHBondContact O-CA 3.35Å; I146-L220 HydrophobicContact CB-CB 4.46Å; I146-L220 HydrophobicContact CD1-CD2 4.34Å; I146-L220 PolarHBondContact N-O 2.99Å; I146-L220 PolarHBondContact O-N 3.42Å
147	E	98.3	Very high	97.1	Very high	41 Å²	41	36.8 Å²	36.8	19%	0.192	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.9	167.1	-170.8	-175	104.9	0	0	109.2	P124 R125 H126 L217 Y218	P124-E147 WeakPolarHBondContact CA-O 3.34Å; R125-E147 HydrophobicContact CB-CB 4.48Å; R125-E147 HydrophobicContact CB-CG 4.35Å; R125-E147 WeakPolarHBondContact CB-OE1 3.3Å; R125-E147 PolarHBondContact N-O 3.04Å; H126-E147 HydrophobicContact CB-CB 4.04Å; H126-E147 PolarHBondContact O-N 2.99Å; E147-L217 HydrophobicContact CG-CD2 4.48Å; E147-Y218 CarbonylContact C-O 3.48Å; E147-Y218 WeakPolarHBondContact CA-O 3.43Å
148	L	97.3	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.8	-174.6	-61.7	175.9	0	0	0	110.3	P124 I146 I157 L217 Y218 L220 F266	P124-L148 HydrophobicContact CB-CD2 4.4Å; I146-L148 HydrophobicContact CB-CD2 4.35Å; I146-L148 HydrophobicContact CB-CG 4.47Å; I146-L148 HydrophobicContact CG2-CD2 3.54Å; I146-L148 HydrophobicContact CG2-CG 4.1Å; L148-I157 HydrophobicContact CD1-CD1 4.01Å; L148-I157 HydrophobicContact CD1-CG2 4.1Å; L148-L217 CarbonylContact O-C 3.53Å; L148-L217 VanDerWaalsContact O-CA 3.32Å; L148-L217 WeakPolarHBondContact O-CA 3.36Å; L148-Y218 PolarHBondContact N-O 3Å; L148-Y218 PolarHBondContact O-N 2.93Å; L148-L220 HydrophobicContact CD1-CB 3.8Å; L148-L220 HydrophobicContact CD1-CD2 4.26Å; L148-F266 HydrophobicContact CD2-CD2 4.38Å; L148-F266 HydrophobicContact CD2-CE2 3.47Å; L148-F266 VanDerWaalsContact CD2-CE2 3.47Å; L148-F266 HydrophobicContact CD2-CZ 3.78Å
149	E	96.9	Very high	97.3	Very high	45 Å²	45	30.7 Å²	30.7	21%	0.21	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131	164	-174.9	-176.7	177.7	0	0	110.2	V122 R123 R125 V151 L217	V122-E149 CarbonylContact C-O 3.58Å; V122-E149 WeakPolarHBondContact CA-O 3.41Å; R123-E149 PolarHBondContact N-O 2.86Å; R123-E149 PolarHBondContact O-N 2.89Å; R125-E149 HydrophobicContact CG-CB 4.21Å; R125-E149 IonicContact CZ-OE2 2.67Å; R125-E149 IonicContact NE-OE2 3Å; R125-E149 PolarHBondContact NE-OE2 2.98Å; R125-E149 IonicContact NH2-OE1 2.87Å; R125-E149 IonicContact NH2-OE2 3.77Å; R125-E149 PolarHBondContact NH2-OE2 3.12Å; E149-V151 PolarHBondContact O-N 3.18Å; E149-L217 HydrophobicContact CB-CD2 3.88Å; E149-L217 HydrophobicContact CG-CD2 4.32Å
150	C	96.8	Very high	97.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	115.4	169.2	-176.8	0	0	0	0	109.6	N152 L212 K213 P214 G215 R216 Y218	C150-N152 PolarHBondContact SG-O 3.19Å; C150-L212 HydrophobicContact CB-CB 3.89Å; C150-L212 VanDerWaalsContact SG-C 3.59Å; C150-L212 WeakPolarHBondContact SG-CB 3.29Å; C150-K213 VanDerWaalsContact CB-O 3.26Å; C150-K213 WeakPolarHBondContact CB-O 3.5Å; C150-P214 CarbonylContact O-C 3.56Å; C150-P214 WeakPolarHBondContact O-CA 3.17Å; C150-G215 PolarHBondContact O-N 3.25Å; C150-R216 PolarHBondContact N-O 3.39Å; C150-Y218 HydrophobicContact CB-CD2 4.27Å; C150-Y218 HydrophobicContact CB-CE2 3.84Å
151	V	96.6	Very high	97.3	Very high	62 Å²	62	29.3 Å²	29.3	38%	0.376	16%	0.16	S	C	.	.	S	Bend	trans	-84.3	-52.9	175.5	-179	0	0	0	0	109.5	S121 R123 E149 P214	S121-V151 PolarHBondContact O-N 3.48Å; R123-V151 HydrophobicContact CB-CG2 4.15Å; E149-V151 PolarHBondContact O-N 3.18Å; V151-P214 WeakPolarHBondContact O-CB 3.43Å
152	N	95.9	Very high	97.1	Very high	102 Å²	102	29.4 Å²	29.4	55%	0.545	16%	0.158	S	C	.	.	S	Bend	trans	-120.7	145.4	177.7	-66.6	-31.6	0	0	0	109.8	S121 C150 T154	S121-N152 PolarHBondContact O-N 3.41Å; S121-N152 VanDerWaalsContact O-N 3.11Å; C150-N152 PolarHBondContact SG-O 3.19Å; N152-T154 PolarHBondContact O-N 2.94Å
153	A	96.4	Very high	96.9	Very high	57 Å²	57	34.1 Å²	34.1	47%	0.471	17%	0.174	S	C	.	.			trans	-57.4	127.1	-179.7	0	0	0	0	0	110	L212 P214	A153-L212 WeakPolarHBondContact CA-O 3.23Å; A153-P214 HydrophobicContact CB-CG 4.15Å
154	T	95.9	Very high	96.7	Very high	14 Å²	14	31.3 Å²	31.3	9%	0.086	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	149	-176.7	-177.4	0	0	0	0	111.2	V122 N152 F156 E211 L212	V122-T154 HydrophobicContact CG1-CG2 3.91Å; N152-T154 PolarHBondContact O-N 2.94Å; T154-F156 WeakPolarHBondContact CG2-O 3.22Å; T154-F156 PolarHBondContact OG1-N 3.42Å; T154-F156 PolarHBondContact OG1-O 3.07Å; T154-E211 CarbonylContact O-C 3.53Å; T154-E211 VanDerWaalsContact O-CA 3.32Å; T154-E211 WeakPolarHBondContact O-CA 3.34Å; T154-L212 HydrophobicContact CG2-CB 4.49Å; T154-L212 HydrophobicContact CG2-CD1 4.16Å; T154-L212 PolarHBondContact O-N 3.36Å
155	R	95.3	Very high	96.6	Very high	107 Å²	107	38.1 Å²	38.1	40%	0.404	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	0.9	169	71.7	-178.2	83	164.5	8	112.9	L208 E211	R155-L208 PolarHBondContact O-N 3.34Å; R155-E211 HydrophobicContact CB-CG 4.08Å; R155-E211 IonicContact NH2-OE1 3.89Å
156	F	96.3	Very high	96.5	Very high	28 Å²	28	38.7 Å²	38.7	12%	0.123	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.8	-173.6	-53.4	-67.8	0	0	0	110.4	V109 P112 W113 T154 V207	V109-F156 HydrophobicContact CG1-CE2 4.15Å; V109-F156 HydrophobicContact CG1-CZ 3.86Å; P112-F156 HydrophobicContact CG-CB 3.9Å; P112-F156 HydrophobicContact CG-CD2 3.86Å; P112-F156 HydrophobicContact CG-CG 3.9Å; W113-F156 HydrophobicContact CH2-CD1 4.44Å; W113-F156 HydrophobicContact CH2-CE1 4.1Å; W113-F156 AromaticContact CZ3-CD1 3.65Å; W113-F156 HydrophobicContact CZ3-CD1 3.65Å; W113-F156 AromaticContact CZ3-CE1 3.73Å; W113-F156 HydrophobicContact CZ3-CE1 3.73Å; W113-F156 HydrophobicContact CZ3-CG 4.29Å; W113-F156 HydrophobicContact CZ3-CZ 4.43Å; T154-F156 WeakPolarHBondContact CG2-O 3.22Å; T154-F156 PolarHBondContact OG1-N 3.42Å; T154-F156 PolarHBondContact OG1-O 3.07Å; F156-V207 HydrophobicContact CD1-CG1 4.11Å; F156-V207 HydrophobicContact CD1-CG2 4.1Å; F156-V207 HydrophobicContact CE1-CG1 3.91Å; F156-V207 HydrophobicContact CE1-CG2 4.27Å
157	I	97.4	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119	164.3	-54.5	169.5	0	0	0	106	V122 L148 L159 M171 V206 L208 L212 L220 F266	V122-I157 HydrophobicContact CG2-CG2 4.47Å; L148-I157 HydrophobicContact CD1-CD1 4.01Å; L148-I157 HydrophobicContact CD1-CG2 4.1Å; I157-L159 HydrophobicContact CG2-CD2 4.12Å; I157-M171 HydrophobicContact CD1-CG 4.18Å; I157-V206 HydrophobicContact CB-CB 4.25Å; I157-V206 PolarHBondContact N-O 3.37Å; I157-V206 PolarHBondContact O-N 3.46Å; I157-L208 HydrophobicContact CD1-CD1 4.15Å; I157-L208 HydrophobicContact CG1-CD1 4.43Å; I157-L212 HydrophobicContact CD1-CD1 4.3Å; I157-L212 HydrophobicContact CG1-CD1 4.12Å; I157-L220 HydrophobicContact CG2-CD2 4.16Å; I157-F266 HydrophobicContact CG2-CZ 4.16Å
158	V	97.6	Very high	96	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.7	177.8	-173.3	0	0	0	0	106.7	P112 W113 L118 P119 M203 F266	P112-V158 HydrophobicContact CB-CG2 4.4Å; P112-V158 HydrophobicContact CG-CG2 4.11Å; W113-V158 HydrophobicContact CB-CG1 4.01Å; W113-V158 HydrophobicContact CB-CG2 4.25Å; W113-V158 HydrophobicContact CE3-CG2 4.42Å; L118-V158 HydrophobicContact CD2-CB 4.46Å; L118-V158 HydrophobicContact CD2-CG1 3.98Å; P119-V158 HydrophobicContact CG-CB 4.22Å; P119-V158 HydrophobicContact CG-CG2 4.14Å; V158-M203 HydrophobicContact CG1-CB 4.12Å; V158-M203 HydrophobicContact CG1-CG 4.08Å; V158-M203 HydrophobicContact CG1-SD 3.46Å; V158-M203 WeakPolarHBondContact CG1-SD 3.35Å; V158-F266 WeakPolarHBondContact O-CE1 3.45Å
159	L	97.7	Very high	96	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	166.3	178.4	60	154.9	0	0	0	109	I146 I157 M203 Y204 L220 P264 F266	I146-L159 HydrophobicContact CD1-CD1 4.29Å; I157-L159 HydrophobicContact CG2-CD2 4.12Å; L159-M203 CarbonylContact O-C 3.47Å; L159-M203 VanDerWaalsContact O-CA 3.27Å; L159-M203 WeakPolarHBondContact O-CA 3.47Å; L159-Y204 WeakPolarHBondContact CD2-O 3.31Å; L159-Y204 PolarHBondContact N-O 2.85Å; L159-Y204 VanDerWaalsContact N-O 3.14Å; L159-Y204 PolarHBondContact O-N 2.96Å; L159-L220 HydrophobicContact CD2-CD2 4.18Å; L159-P264 HydrophobicContact CD1-CB 3.46Å; L159-P264 VanDerWaalsContact CD1-CB 3.46Å; L159-F266 HydrophobicContact CB-CD2 4.41Å; L159-F266 HydrophobicContact CB-CE2 4.21Å; L159-F266 HydrophobicContact CB-CZ 4.43Å
160	H	98.1	Very high	95.9	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.019	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	142.1	176.6	-63.9	116.3	0	0	0	111.4	L118 Q202 R260 P264 C265 D267	L118-H160 VanDerWaalsContact CG-CE1 3.47Å; L118-H160 WeakPolarHBondContact CG-CE1 3.5Å; H160-Q202 VanDerWaalsContact CA-O 3.3Å; H160-Q202 WeakPolarHBondContact CA-O 3.35Å; H160-R260 HydrophobicContact CB-CB 3.6Å; H160-R260 HydrophobicContact CB-CG 4.44Å; H160-R260 VanDerWaalsContact CD2-CZ 3.42Å; H160-R260 PolarHBondContact CD2-NH1 3.16Å; H160-R260 PolarHBondContact CE1-NH2 3.09Å; H160-R260 VanDerWaalsContact CE1-NH2 3.34Å; H160-R260 VanDerWaalsContact CG-CZ 3.47Å; H160-R260 PolarHBondContact ND1-NH2 3.07Å; H160-R260 PolarHBondContact NE2-NH2 3.47Å; H160-P264 CarbonylContact O-C 3.56Å; H160-P264 VanDerWaalsContact O-CA 3.3Å; H160-P264 WeakPolarHBondContact O-CA 3.43Å; H160-C265 WeakPolarHBondContact CA-O 3.23Å; H160-C265 WeakPolarHBondContact CB-O 3.29Å; H160-C265 PolarHBondContact N-O 3.16Å; H160-C265 PolarHBondContact O-N 2.92Å; H160-D267 HydrophobicContact CB-CB 3.84Å; H160-D267 WeakPolarHBondContact ND1-CB 3.32Å; H160-D267 PolarHBondContact ND1-N 3.02Å
161	A	97	Very high	95.7	Very high	14 Å²	14	51.4 Å²	51.4	12%	0.116	26%	0.258	C	S	.	.			trans	-158.1	133	168.1	0	0	0	0	0	108.7	L164 Q202 P264	A161-L164 HydrophobicContact CB-CD1 4.26Å; A161-Q202 PolarHBondContact N-O 2.95Å; A161-Q202 CarbonylContact O-C 3.35Å; A161-P264 HydrophobicContact CB-CB 4.3Å; A161-P264 HydrophobicContact CB-CG 4.45Å
162	D	94.6	Very high	95.5	Very high	31 Å²	31	49.9 Å²	49.9	17%	0.166	25%	0.252	C	S	.	.			trans	-138.9	132.7	179	-175.5	33.1	0	0	0	110.2	L164 Q202 R260 K261	D162-L164 WeakPolarHBondContact O-CG 3.33Å; D162-L164 PolarHBondContact O-N 3.31Å; D162-Q202 HydrophobicContact CB-CB 4.26Å; D162-Q202 HydrophobicContact CB-CG 4.28Å; D162-Q202 PolarHBondContact OD2-NE2 2.97Å; D162-R260 HydrophobicContact CB-CG 4.03Å; D162-R260 PolarHBondContact N-O 2.88Å; D162-K261 HydrophobicContact CB-CG 4.1Å; D162-K261 WeakPolarHBondContact O-CA 3.28Å; D162-K261 VanDerWaalsContact OD2-CE 3.27Å; D162-K261 WeakPolarHBondContact OD2-CE 3.39Å
163	R	92.3	Very high	94.9	Very high	106 Å²	106	46.3 Å²	46.3	40%	0.4	24%	0.236	S	C	.	.	S	Bend	trans	52.4	34.1	-178.2	-49	-173.2	-168.5	-176.9	7.4	114.9	E231 E939	R163-E231 IonicContact CZ-OE1 3.86Å; R163-E231 IonicContact CZ-OE2 3.99Å; R163-E231 IonicContact NH1-OE1 3.5Å; R163-E231 PolarHBondContact NH1-OE1 3.48Å; R163-E231 IonicContact NH1-OE2 3.64Å; R163-E231 PolarHBondContact NH1-OE2 3.07Å; R163-E231 IonicContact NH2-OE1 3.75Å; R163-E231 IonicContact NH2-OE2 3.67Å; R163-E231 PolarHBondContact NH2-OE2 3.38Å; R163-E939 IonicContact NH2-OE1 2.68Å; R163-E939 PolarHBondContact NH2-OE1 2.85Å
164	L	96	Very high	93.8	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.131	23%	0.228	C	C	.	.			trans	-112.1	133.3	174.4	-57.1	-179.9	0	0	0	110.3	A161 D162 F224 A226 R260 K261 P264	A161-L164 HydrophobicContact CB-CD1 4.26Å; D162-L164 WeakPolarHBondContact O-CG 3.33Å; D162-L164 PolarHBondContact O-N 3.31Å; L164-F224 HydrophobicContact CD1-CD2 4.43Å; L164-F224 HydrophobicContact CD2-CD2 4.16Å; L164-F224 HydrophobicContact CD2-CE2 4.49Å; L164-A226 HydrophobicContact CD2-CB 3.62Å; L164-R260 WeakPolarHBondContact CD1-O 3.35Å; L164-K261 WeakPolarHBondContact CD2-O 3.23Å; L164-P264 HydrophobicContact CD1-CG 3.85Å
165	E	96.6	Very high	92	Very high	143 Å²	143	50.3 Å²	50.3	67%	0.668	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	107.7	170.5	-63.6	-168	167.9	0	0	108.8	F224 D225	E165-F224 CarbonylContact O-C 3.49Å; E165-F224 WeakPolarHBondContact O-CA 3.38Å; E165-F224 VanDerWaalsContact O-CB 3.3Å; E165-F224 WeakPolarHBondContact O-CB 3.48Å; E165-D225 PolarHBondContact N-O 3.12Å; E165-D225 PolarHBondContact O-N 3.1Å
166	V	96.3	Very high	89.7	Confident	31 Å²	31	48.6 Å²	48.6	19%	0.188	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118	-176.9	178.8	0	0	0	0	111	V169 Y204 V222 F224	V166-V169 HydrophobicContact CG1-CG2 3.82Å; V166-Y204 HydrophobicContact CB-CE2 3.88Å; V166-Y204 HydrophobicContact CG1-CE1 4.11Å; V166-Y204 HydrophobicContact CG1-CE2 4.17Å; V166-Y204 WeakPolarHBondContact CG1-OH 3.5Å; V166-Y204 HydrophobicContact CG2-CD2 4.17Å; V166-Y204 HydrophobicContact CG2-CE2 3.82Å; V166-V222 HydrophobicContact CG1-CG1 3.53Å; V166-V222 HydrophobicContact CG2-CG1 4.41Å; V166-F224 HydrophobicContact CG2-CB 4.44Å
167	D	91.9	Very high	87	Confident	90 Å²	90	53 Å²	53	48%	0.481	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-53.5	-177.5	-49.2	-58	0	0	0	113.4	S223	D167-S223 PolarHBondContact N-O 3.02Å
168	R	93.9	Very high	84.2	Confident	181 Å²	181	55.8 Å²	55.8	68%	0.683	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.4	-170.7	-62.3	-177	-69.7	-175	-2.8	110.4	V222 S223	R168-V222 CarbonylContact O-C 3.46Å; R168-V222 VanDerWaalsContact O-CA 3.31Å; R168-V222 WeakPolarHBondContact O-CA 3.42Å; R168-S223 WeakPolarHBondContact CB-OG 3.17Å; R168-S223 PolarHBondContact N-OG 3.35Å; R168-S223 PolarHBondContact O-N 3.46Å
169	V	96.6	Very high	81.2	Confident	21 Å²	21	59.8 Å²	59.8	13%	0.127	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.7	174.6	-171.4	0	0	0	0	108.1	V166 I192 Y204 V206 L220 N221 V222	V166-V169 HydrophobicContact CG1-CG2 3.82Å; V169-I192 HydrophobicContact CB-CD1 4.14Å; V169-I192 HydrophobicContact CG1-CD1 3.75Å; V169-I192 WeakPolarHBondContact O-CD1 3.47Å; V169-Y204 HydrophobicContact CG2-CE1 3.89Å; V169-V206 HydrophobicContact CG1-CG1 4.26Å; V169-V206 HydrophobicContact CG1-CG2 3.9Å; V169-L220 HydrophobicContact CG1-CD1 3.75Å; V169-N221 WeakPolarHBondContact CA-O 3.35Å; V169-V222 HydrophobicContact CG1-CG2 4.48Å; V169-V222 HydrophobicContact CG2-CG1 4.45Å
170	S	95.3	Very high	78.2	Confident	58 Å²	58	70.9 Å²	70.9	41%	0.406	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.6	174.3	68.1	0	0	0	0	111.6	N221	S170-N221 PolarHBondContact N-O 3.25Å; S170-N221 PolarHBondContact O-N 3.07Å
171	M	92.8	Very high	75.2	Confident	3 Å²	3	76.5 Å²	76.5	2%	0.015	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.8	-173.5	-133.7	-69.7	-80.3	0	0	110.5	I157 M190 I192 L208 L212 Y218 R219 L220	I157-M171 HydrophobicContact CD1-CG 4.18Å; M171-M190 HydrophobicContact CB-CB 4.26Å; M171-M190 HydrophobicContact CE-CB 3.7Å; M171-M190 HydrophobicContact CE-CE 4.06Å; M171-M190 HydrophobicContact CE-CG 3.77Å; M171-M190 HydrophobicContact CE-SD 3.17Å; M171-M190 WeakPolarHBondContact CE-SD 3.47Å; M171-M190 PolarHBondContact O-N 2.96Å; M171-I192 HydrophobicContact CB-CD1 4.35Å; M171-I192 HydrophobicContact CB-CG1 4.33Å; M171-L208 HydrophobicContact CB-CD2 4.39Å; M171-L208 HydrophobicContact CE-CD1 3.85Å; M171-L208 HydrophobicContact CE-CD2 4.21Å; M171-L208 HydrophobicContact CG-CD2 4.4Å; M171-L212 HydrophobicContact CE-CD2 3.49Å; M171-L212 VanDerWaalsContact CE-CD2 3.49Å; M171-Y218 HydrophobicContact CE-CD1 3.76Å; M171-Y218 HydrophobicContact CE-CG 4.23Å; M171-Y218 HydrophobicContact SD-CD1 4.24Å; M171-Y218 HydrophobicContact SD-CG 4.39Å; M171-R219 WeakPolarHBondContact CA-O 3.32Å; M171-L220 HydrophobicContact CG-CB 4.43Å; M171-L220 HydrophobicContact CG-CD1 4.09Å
172	A	91	Very high	72.4	Confident	30 Å²	30	80.6 Å²	80.6	25%	0.248	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.2	-179.2	0	0	0	0	0	111.1	Y218 R219	A172-Y218 CarbonylContact O-C 3.58Å; A172-Y218 WeakPolarHBondContact O-CA 3.35Å; A172-R219 PolarHBondContact N-O 3.3Å; A172-R219 PolarHBondContact O-N 2.82Å
173	A	84	Confident	69.6	Low	26 Å²	26	86.6 Å²	86.6	22%	0.215	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	136	168.3	0	0	0	0	0	110.2	G187 G188 Y218	A173-G187 WeakPolarHBondContact O-CA 3.26Å; A173-G188 PolarHBondContact N-O 3.01Å; A173-G188 VanDerWaalsContact N-O 3.16Å; A173-Y218 HydrophobicContact CB-CD1 3.97Å; A173-Y218 HydrophobicContact CB-CE1 3.88Å
174	E	73.8	Confident	67.1	Low	62 Å²	62	92.3 Å²	92.3	29%	0.29	55%	0.549	S	S	.	.			trans	-75.3	134.9	171.1	-68	-150.7	132	0	0	111	G176 L217 R219	E174-G176 PolarHBondContact O-N 2.98Å; E174-L217 HydrophobicContact CB-CB 4.15Å; E174-L217 HydrophobicContact CG-CB 4.26Å; E174-L217 PolarHBondContact N-O 2.84Å; E174-L217 VanDerWaalsContact N-O 3.09Å; E174-R219 IonicContact OE1-CZ 3.31Å; E174-R219 IonicContact OE1-NH1 3.51Å; E174-R219 PolarHBondContact OE1-NH1 3.47Å; E174-R219 IonicContact OE1-NH2 3.44Å; E174-R219 PolarHBondContact OE1-NH2 3.09Å
175	S	57.3	Low	64.4	Low	94 Å²	94	98.2 Å²	98.2	66%	0.657	59%	0.589	S	S	*	*			trans	-71.7	107.8	173	-64.6	0	0	0	0	108.6
176	G	48	Very low	61.7	Low	70 Å²	70	93.9 Å²	93.9	72%	0.722	58%	0.582	S	S	*	*			trans	-55.1	155	-175.6	0	0	0	0	0	114.5	E174 G178	E174-G176 PolarHBondContact O-N 2.98Å; G176-G178 PolarHBondContact O-N 3.28Å
177	A	38.2	Very low	59.5	Low	120 Å²	120	93.8 Å²	93.8	99%	0.992	59%	0.588	S	S	*	*	S	Bend	trans	-61.3	64.6	178	0	0	0	0	0	113.9
178	G	39.6	Very low	58.3	Low	60 Å²	60	91.8 Å²	91.8	62%	0.619	59%	0.588	S	S	*	*	S	Bend	trans	-124.8	65.2	174.1	0	0	0	0	0	110.5	G176 R180	G176-G178 PolarHBondContact O-N 3.28Å; G178-R180 VanDerWaalsContact C-N 3.31Å; G178-R180 PolarHBondContact O-N 3.17Å
179	G	34.3	Very low	57.5	Low	87 Å²	87	89 Å²	89	90%	0.897	59%	0.591	S	S	*	*			trans	35.9	41.1	153.1	0	0	0	0	0	119.7
180	R	34	Very low	57.1	Low	232 Å²	232	89.4 Å²	89.4	88%	0.875	59%	0.592	S	S	*	*			trans	-121.4	135.1	167.1	-76.4	-173	172.8	178.8	-1.2	110.5	G178	G178-R180 VanDerWaalsContact C-N 3.31Å; G178-R180 PolarHBondContact O-N 3.17Å
181	P	35.3	Very low	56.9	Low	122 Å²	122	96.2 Å²	96.2	79%	0.792	61%	0.609	S	S	*	*			trans	-65.7	144	-168.2	-15	28.9	0	0	0	112.7	N183	P181-N183 PolarHBondContact O-N 3.24Å
182	A	39.1	Very low	57	Low	100 Å²	100	98 Å²	98	83%	0.826	62%	0.618	S	S	*	*	S	Bend	trans	-73	54.5	-176.2	0	0	0	0	0	114.5
183	N	36.2	Very low	57.2	Low	157 Å²	157	101.7 Å²	101.7	84%	0.84	63%	0.63	S	S	*	*			trans	-114	25.3	174.8	-88.7	-0.8	0	0	0	114	P181	P181-N183 PolarHBondContact O-N 3.24Å
184	R	38.2	Very low	57.7	Low	227 Å²	227	106.8 Å²	106.8	86%	0.857	64%	0.643	S	S	*	*	S	Bend	trans	-134.2	126.9	164.1	-72.7	-172.6	178.5	-179.6	-0.7	110	G186	R184-G186 PolarHBondContact O-N 2.82Å
185	P	40.4	Very low	58.8	Low	149 Å²	149	107.5 Å²	107.5	97%	0.968	65%	0.646	S	S	*	*			trans	-75	74.5	174.8	31.6	-32	0	0	0	109
186	G	39	Very low	60.7	Low	51 Å²	51	105.5 Å²	105.5	53%	0.526	63%	0.626	S	S	.	*			trans	-137.9	31.2	-162.5	0	0	0	0	0	115.1	R184 G188	R184-G186 PolarHBondContact O-N 2.82Å; G186-G188 PolarHBondContact O-N 3.23Å
187	G	51.6	Low	63	Low	30 Å²	30	106.2 Å²	106.2	31%	0.309	62%	0.618	S	S	.	*	S	Bend	trans	-65.4	118.7	153.8	0	0	0	0	0	107.4	A173 V189	A173-G187 WeakPolarHBondContact O-CA 3.26Å; G187-V189 PolarHBondContact O-N 3.29Å
188	G	64.9	Low	65.7	Low	47 Å²	47	102.9 Å²	102.9	49%	0.485	58%	0.581	S	S	.	*			trans	-62.2	112	-172.7	0	0	0	0	0	111.1	A173 G186 M190	A173-G188 PolarHBondContact N-O 3.01Å; A173-G188 VanDerWaalsContact N-O 3.16Å; G186-G188 PolarHBondContact O-N 3.23Å; G188-M190 PolarHBondContact O-N 3.45Å
189	V	78.6	Confident	68.2	Low	124 Å²	124	105 Å²	105	75%	0.752	58%	0.584	S	S	*	*	B	Isolated β-bridge	trans	-55.8	125	171.7	178.7	0	0	0	0	108.4	G187	G187-V189 PolarHBondContact O-N 3.29Å
190	M	87.3	Confident	70.8	Confident	29 Å²	29	104.8 Å²	104.8	14%	0.143	57%	0.574	C	S	.	*	P	Polyproline II helix	trans	-89.4	127.8	176	-70.3	-157.1	58.3	0	0	109.5	M171 G188 I192 L208 R210 L212 Y218	M171-M190 HydrophobicContact CB-CB 4.26Å; M171-M190 HydrophobicContact CE-CB 3.7Å; M171-M190 HydrophobicContact CE-CE 4.06Å; M171-M190 HydrophobicContact CE-CG 3.77Å; M171-M190 HydrophobicContact CE-SD 3.17Å; M171-M190 WeakPolarHBondContact CE-SD 3.47Å; M171-M190 PolarHBondContact O-N 2.96Å; G188-M190 PolarHBondContact O-N 3.45Å; M190-I192 PolarHBondContact O-N 3.49Å; M190-L208 HydrophobicContact CE-CD1 4.08Å; M190-R210 HydrophobicContact CE-CB 4.46Å; M190-L212 HydrophobicContact CE-CD2 3.82Å; M190-L212 HydrophobicContact SD-CD2 3.72Å; M190-Y218 HydrophobicContact SD-CD1 3.61Å; M190-Y218 HydrophobicContact SD-CE1 3.33Å; M190-Y218 WeakPolarHBondContact SD-CE1 3.5Å
191	R	91.6	Very high	73.5	Confident	201 Å²	201	95.2 Å²	95.2	76%	0.758	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-73.1	118.5	177.6	-74.6	-177.7	159.1	176.4	-6.2	110.1	H209	R191-H209 HydrophobicContact CB-CB 4.19Å; R191-H209 PolarHBondContact O-N 3Å
192	I	95.1	Very high	76.4	Confident	40 Å²	40	91.5 Å²	91.5	21%	0.205	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.7	168.5	-62.1	168.5	0	0	0	107.6	V169 M171 M190 V206 L208	V169-I192 HydrophobicContact CB-CD1 4.14Å; V169-I192 HydrophobicContact CG1-CD1 3.75Å; V169-I192 WeakPolarHBondContact O-CD1 3.47Å; M171-I192 HydrophobicContact CB-CD1 4.35Å; M171-I192 HydrophobicContact CB-CG1 4.33Å; M190-I192 PolarHBondContact O-N 3.49Å; I192-V206 HydrophobicContact CD1-CG1 4.08Å; I192-V206 HydrophobicContact CG1-CG1 4.02Å; I192-V206 HydrophobicContact CG2-CG1 3.92Å; I192-L208 HydrophobicContact CG1-CD2 3.99Å
193	H	94.5	Very high	79.1	Confident	107 Å²	107	86.9 Å²	86.9	50%	0.495	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-47.5	175.1	176.8	52.5	0	0	0	111	V207 H209	H193-V207 HydrophobicContact CB-CG1 4.36Å; H193-V207 WeakPolarHBondContact CB-O 3.5Å; H193-V207 PolarHBondContact N-O 3.28Å; H193-H209 AromaticContact ND1-CE1 3.51Å; H193-H209 AromaticContact ND1-NE2 3.6Å
194	R	95.3	Very high	82	Confident	134 Å²	134	79.9 Å²	79.9	51%	0.506	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	159.3	173.2	61.9	-178.7	-178	-179	0.5	110.4	F196 V207	R194-F196 HydrophobicContact CG-CD1 4.42Å; R194-F196 HydrophobicContact CG-CE1 4.44Å; R194-V207 HydrophobicContact CG-CB 3.91Å; R194-V207 HydrophobicContact CG-CG2 3.89Å; R194-V207 PolarHBondContact N-O 3.12Å; R194-V207 WeakPolarHBondContact O-CB 3.5Å; R194-V207 PolarHBondContact O-N 3.03Å
195	H	96.4	Very high	84.8	Confident	76 Å²	76	69.1 Å²	69.1	35%	0.352	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.3	167	58.3	82	0	0	0	109.8	Y204 V205 V206	H195-Y204 HydrophobicContact CB-CE1 4.04Å; H195-Y204 PolarHBondContact CE1-OH 3.26Å; H195-Y204 AromaticContact ND1-CZ 3.72Å; H195-Y204 PolarHBondContact ND1-OH 3.15Å; H195-V205 CarbonylContact C-O 3.54Å; H195-V205 WeakPolarHBondContact CA-O 3.22Å; H195-V205 WeakPolarHBondContact CB-O 3.31Å; H195-V206 HydrophobicContact CB-CG2 4.21Å
196	F	96.4	Very high	87.6	Confident	52 Å²	52	62 Å²	62	23%	0.228	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	151.5	-177.6	56	-86.3	0	0	0	111.6	W113 R194 V205 V207	W113-F196 HydrophobicContact CD2-CZ 4.38Å; W113-F196 AromaticContact CE2-CZ 3.94Å; W113-F196 HydrophobicContact CH2-CZ 4.37Å; W113-F196 AromaticContact CZ2-CZ 3.94Å; W113-F196 HydrophobicContact CZ2-CZ 3.94Å; R194-F196 HydrophobicContact CG-CD1 4.42Å; R194-F196 HydrophobicContact CG-CE1 4.44Å; F196-V205 HydrophobicContact CD1-CB 4.44Å; F196-V205 HydrophobicContact CD2-CB 4.33Å; F196-V205 HydrophobicContact CD2-CG2 4.5Å; F196-V205 HydrophobicContact CE1-CB 4.02Å; F196-V205 HydrophobicContact CE1-CG1 3.95Å; F196-V205 HydrophobicContact CE2-CB 3.91Å; F196-V205 HydrophobicContact CE2-CG1 4.41Å; F196-V205 HydrophobicContact CE2-CG2 3.9Å; F196-V205 HydrophobicContact CZ-CB 3.74Å; F196-V205 HydrophobicContact CZ-CG1 3.75Å; F196-V205 HydrophobicContact CZ-CG2 4.07Å; F196-V205 PolarHBondContact N-O 2.96Å; F196-V205 PolarHBondContact O-N 2.93Å; F196-V207 HydrophobicContact CE1-CG2 4.14Å
197	P	96.7	Very high	90.3	Very high	86 Å²	86	60 Å²	60	56%	0.558	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	148.1	168.2	31.8	-34.4	0	0	0	111.1	Y204	P197-Y204 HydrophobicContact CB-CD2 4.13Å; P197-Y204 HydrophobicContact CB-CE2 4.42Å
198	F	95.6	Very high	92.4	Very high	50 Å²	50	58.8 Å²	58.8	22%	0.219	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	84	172.2	-172	-105.9	0	0	0	109.2	W113 A200 N201 Q202 M203 V205	W113-F198 AromaticContact CD1-CD2 3.81Å; W113-F198 AromaticContact CD1-CG 3.84Å; W113-F198 WeakPolarHBondContact O-CD1 3.48Å; W113-F198 VanDerWaalsContact O-CE1 3.25Å; W113-F198 WeakPolarHBondContact O-CE1 3.36Å; F198-A200 VanDerWaalsContact C-N 3.29Å; F198-A200 HydrophobicContact CE1-CB 3.93Å; F198-A200 HydrophobicContact CZ-CB 4.06Å; F198-A200 PolarHBondContact O-N 3.41Å; F198-N201 HydrophobicContact CD1-CB 4.09Å; F198-N201 HydrophobicContact CE1-CB 4.17Å; F198-N201 PolarHBondContact O-N 2.92Å; F198-Q202 PolarHBondContact O-N 3.46Å; F198-M203 HydrophobicContact CB-CB 4.35Å; F198-M203 PolarHBondContact N-O 2.91Å; F198-M203 PolarHBondContact O-N 3.33Å; F198-M203 VanDerWaalsContact O-N 3.09Å; F198-V205 HydrophobicContact CB-CG2 4.39Å
199	P	92	Very high	93.8	Very high	105 Å²	105	62 Å²	62	68%	0.682	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-62.7	-29.9	-168.6	-26.5	35.8	0	0	0	114.9	N201 Q202	P199-N201 PolarHBondContact O-N 3.48Å; P199-N201 VanDerWaalsContact O-N 3.13Å; P199-Q202 PolarHBondContact O-N 3.42Å
200	A	89.8	Confident	94.4	Very high	82 Å²	82	65.8 Å²	65.8	68%	0.678	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-56.1	-33.9	-176.8	0	0	0	0	0	113.4	F198	F198-A200 VanDerWaalsContact C-N 3.29Å; F198-A200 HydrophobicContact CE1-CB 3.93Å; F198-A200 HydrophobicContact CZ-CB 4.06Å; F198-A200 PolarHBondContact O-N 3.41Å
201	N	90.8	Very high	94.7	Very high	31 Å²	31	69.3 Å²	69.3	17%	0.166	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-114.2	12.9	175.8	-66.5	-14.8	0	0	0	112.5	W113 K114 N115 F198 P199 M203	W113-N201 PolarHBondContact O-ND2 3Å; K114-N201 PolarHBondContact O-ND2 3.18Å; N115-N201 PolarHBondContact O-ND2 3.23Å; N115-N201 VanDerWaalsContact O-ND2 3.09Å; F198-N201 HydrophobicContact CD1-CB 4.09Å; F198-N201 HydrophobicContact CE1-CB 4.17Å; F198-N201 PolarHBondContact O-N 2.92Å; P199-N201 PolarHBondContact O-N 3.48Å; P199-N201 VanDerWaalsContact O-N 3.13Å; N201-M203 VanDerWaalsContact C-N 3.28Å; N201-M203 HydrophobicContact CB-CE 4.02Å; N201-M203 HydrophobicContact CB-CG 4.03Å; N201-M203 HydrophobicContact CB-SD 3.98Å; N201-M203 WeakPolarHBondContact O-CG 3.43Å; N201-M203 PolarHBondContact O-N 3.43Å
202	Q	94.6	Very high	94.9	Very high	44 Å²	44	59.8 Å²	59.8	21%	0.206	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	43.4	-175	-59.5	171.3	-26.9	0	0	113.1	H160 A161 D162 F198 P199	H160-Q202 VanDerWaalsContact CA-O 3.3Å; H160-Q202 WeakPolarHBondContact CA-O 3.35Å; A161-Q202 PolarHBondContact N-O 2.95Å; A161-Q202 CarbonylContact O-C 3.35Å; D162-Q202 HydrophobicContact CB-CB 4.26Å; D162-Q202 HydrophobicContact CB-CG 4.28Å; D162-Q202 PolarHBondContact OD2-NE2 2.97Å; F198-Q202 PolarHBondContact O-N 3.46Å; P199-Q202 PolarHBondContact O-N 3.42Å
203	M	95.8	Very high	94.8	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	155.8	-176.1	-70.8	-179.7	-177.1	0	0	112.2	W113 N115 S116 L118 V158 L159 F198 N201	W113-M203 HydrophobicContact CB-SD 4.24Å; N115-M203 VanDerWaalsContact O-CE 3.3Å; N115-M203 WeakPolarHBondContact O-CE 3.43Å; S116-M203 WeakPolarHBondContact O-CE 3.27Å; L118-M203 HydrophobicContact CD2-CE 3.94Å; L118-M203 HydrophobicContact CD2-SD 4.36Å; V158-M203 HydrophobicContact CG1-CB 4.12Å; V158-M203 HydrophobicContact CG1-CG 4.08Å; V158-M203 HydrophobicContact CG1-SD 3.46Å; V158-M203 WeakPolarHBondContact CG1-SD 3.35Å; L159-M203 CarbonylContact O-C 3.47Å; L159-M203 VanDerWaalsContact O-CA 3.27Å; L159-M203 WeakPolarHBondContact O-CA 3.47Å; F198-M203 HydrophobicContact CB-CB 4.35Å; F198-M203 PolarHBondContact N-O 2.91Å; F198-M203 PolarHBondContact O-N 3.33Å; F198-M203 VanDerWaalsContact O-N 3.09Å; N201-M203 VanDerWaalsContact C-N 3.28Å; N201-M203 HydrophobicContact CB-CE 4.02Å; N201-M203 HydrophobicContact CB-CG 4.03Å; N201-M203 HydrophobicContact CB-SD 3.98Å; N201-M203 WeakPolarHBondContact O-CG 3.43Å; N201-M203 PolarHBondContact O-N 3.43Å
204	Y	97.6	Very high	94.9	Very high	11 Å²	11	61.9 Å²	61.9	4%	0.043	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.6	168	-162.2	-97	0	0	0	109.4	L159 V166 V169 H195 P197 V206	L159-Y204 WeakPolarHBondContact CD2-O 3.31Å; L159-Y204 PolarHBondContact N-O 2.85Å; L159-Y204 VanDerWaalsContact N-O 3.14Å; L159-Y204 PolarHBondContact O-N 2.96Å; V166-Y204 HydrophobicContact CB-CE2 3.88Å; V166-Y204 HydrophobicContact CG1-CE1 4.11Å; V166-Y204 HydrophobicContact CG1-CE2 4.17Å; V166-Y204 WeakPolarHBondContact CG1-OH 3.5Å; V166-Y204 HydrophobicContact CG2-CD2 4.17Å; V166-Y204 HydrophobicContact CG2-CE2 3.82Å; V169-Y204 HydrophobicContact CG2-CE1 3.89Å; H195-Y204 HydrophobicContact CB-CE1 4.04Å; H195-Y204 PolarHBondContact CE1-OH 3.26Å; H195-Y204 AromaticContact ND1-CZ 3.72Å; H195-Y204 PolarHBondContact ND1-OH 3.15Å; P197-Y204 HydrophobicContact CB-CD2 4.13Å; P197-Y204 HydrophobicContact CB-CE2 4.42Å; Y204-V206 HydrophobicContact CD1-CG2 4.21Å; Y204-V206 HydrophobicContact CE1-CG2 4.23Å
205	V	97.9	Very high	94.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.7	-170.8	-176	0	0	0	0	109.8	W113 H195 F196 F198 V207	W113-V205 HydrophobicContact CB-CG2 3.56Å; W113-V205 HydrophobicContact CD2-CG1 4.05Å; W113-V205 HydrophobicContact CD2-CG2 3.89Å; W113-V205 HydrophobicContact CE3-CB 4.47Å; W113-V205 HydrophobicContact CE3-CG1 3.51Å; W113-V205 HydrophobicContact CE3-CG2 4.1Å; W113-V205 HydrophobicContact CG-CG2 3.65Å; W113-V205 HydrophobicContact CZ3-CG1 3.86Å; H195-V205 CarbonylContact C-O 3.54Å; H195-V205 WeakPolarHBondContact CA-O 3.22Å; H195-V205 WeakPolarHBondContact CB-O 3.31Å; F196-V205 HydrophobicContact CD1-CB 4.44Å; F196-V205 HydrophobicContact CD2-CB 4.33Å; F196-V205 HydrophobicContact CD2-CG2 4.5Å; F196-V205 HydrophobicContact CE1-CB 4.02Å; F196-V205 HydrophobicContact CE1-CG1 3.95Å; F196-V205 HydrophobicContact CE2-CB 3.91Å; F196-V205 HydrophobicContact CE2-CG1 4.41Å; F196-V205 HydrophobicContact CE2-CG2 3.9Å; F196-V205 HydrophobicContact CZ-CB 3.74Å; F196-V205 HydrophobicContact CZ-CG1 3.75Å; F196-V205 HydrophobicContact CZ-CG2 4.07Å; F196-V205 PolarHBondContact N-O 2.96Å; F196-V205 PolarHBondContact O-N 2.93Å; F198-V205 HydrophobicContact CB-CG2 4.39Å; V205-V207 HydrophobicContact CG1-CG2 4.04Å
206	V	97.8	Very high	94.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.8	171.5	-174	0	0	0	0	109	I157 V169 I192 H195 Y204 L208 L220	I157-V206 HydrophobicContact CB-CB 4.25Å; I157-V206 PolarHBondContact N-O 3.37Å; I157-V206 PolarHBondContact O-N 3.46Å; V169-V206 HydrophobicContact CG1-CG1 4.26Å; V169-V206 HydrophobicContact CG1-CG2 3.9Å; I192-V206 HydrophobicContact CD1-CG1 4.08Å; I192-V206 HydrophobicContact CG1-CG1 4.02Å; I192-V206 HydrophobicContact CG2-CG1 3.92Å; H195-V206 HydrophobicContact CB-CG2 4.21Å; Y204-V206 HydrophobicContact CD1-CG2 4.21Å; Y204-V206 HydrophobicContact CE1-CG2 4.23Å; V206-L208 HydrophobicContact CG1-CD2 4.27Å; V206-L220 HydrophobicContact CG2-CD1 4.48Å
207	V	97.1	Very high	94.6	Very high	9 Å²	9	61.8 Å²	61.8	6%	0.055	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.6	179.1	-171.8	0	0	0	0	109.1	F156 H193 R194 F196 V205	F156-V207 HydrophobicContact CD1-CG1 4.11Å; F156-V207 HydrophobicContact CD1-CG2 4.1Å; F156-V207 HydrophobicContact CE1-CG1 3.91Å; F156-V207 HydrophobicContact CE1-CG2 4.27Å; H193-V207 HydrophobicContact CB-CG1 4.36Å; H193-V207 WeakPolarHBondContact CB-O 3.5Å; H193-V207 PolarHBondContact N-O 3.28Å; R194-V207 HydrophobicContact CG-CB 3.91Å; R194-V207 HydrophobicContact CG-CG2 3.89Å; R194-V207 PolarHBondContact N-O 3.12Å; R194-V207 WeakPolarHBondContact O-CB 3.5Å; R194-V207 PolarHBondContact O-N 3.03Å; F196-V207 HydrophobicContact CE1-CG2 4.14Å; V205-V207 HydrophobicContact CG1-CG2 4.04Å
208	L	95.9	Very high	94.5	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	151.5	-178.2	-56.8	173.1	0	0	0	111.3	R155 I157 M171 M190 I192 V206 R210 L212	R155-L208 PolarHBondContact O-N 3.34Å; I157-L208 HydrophobicContact CD1-CD1 4.15Å; I157-L208 HydrophobicContact CG1-CD1 4.43Å; M171-L208 HydrophobicContact CB-CD2 4.39Å; M171-L208 HydrophobicContact CE-CD1 3.85Å; M171-L208 HydrophobicContact CE-CD2 4.21Å; M171-L208 HydrophobicContact CG-CD2 4.4Å; M190-L208 HydrophobicContact CE-CD1 4.08Å; I192-L208 HydrophobicContact CG1-CD2 3.99Å; V206-L208 HydrophobicContact CG1-CD2 4.27Å; L208-R210 VanDerWaalsContact C-N 3.28Å; L208-R210 WeakPolarHBondContact CB-O 3.5Å; L208-R210 PolarHBondContact O-N 2.97Å; L208-L212 HydrophobicContact CD1-CD1 4.2Å; L208-L212 HydrophobicContact CD1-CD2 3.49Å; L208-L212 VanDerWaalsContact CD1-CD2 3.49Å; L208-L212 HydrophobicContact CD1-CG 3.71Å
209	H	93.1	Very high	94.6	Very high	115 Å²	115	59.8 Å²	59.8	53%	0.532	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-24.2	173	-92.8	-75.3	0	0	0	113.7	R191 H193	R191-H209 HydrophobicContact CB-CB 4.19Å; R191-H209 PolarHBondContact O-N 3Å; H193-H209 AromaticContact ND1-CE1 3.51Å; H193-H209 AromaticContact ND1-NE2 3.6Å
210	R	91.9	Very high	94.9	Very high	204 Å²	204	54.8 Å²	54.8	77%	0.77	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.1	-178.7	-65.6	-175.4	179.4	-175.7	-1.1	109.1	M190 L208	M190-R210 HydrophobicContact CE-CB 4.46Å; L208-R210 VanDerWaalsContact C-N 3.28Å; L208-R210 WeakPolarHBondContact CB-O 3.5Å; L208-R210 PolarHBondContact O-N 2.97Å
211	E	93.8	Very high	95.3	Very high	102 Å²	102	52.7 Å²	52.7	48%	0.477	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	141.2	177.2	-67.8	176.5	172.8	0	0	111.7	T154 R155	T154-E211 CarbonylContact O-C 3.53Å; T154-E211 VanDerWaalsContact O-CA 3.32Å; T154-E211 WeakPolarHBondContact O-CA 3.34Å; R155-E211 HydrophobicContact CB-CG 4.08Å; R155-E211 IonicContact NH2-OE1 3.89Å
212	L	94.2	Very high	95.6	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	146	162.3	-56.2	-178.9	0	0	0	109	V122 C150 A153 T154 I157 M171 M190 L208 Y218	V122-L212 HydrophobicContact CG1-CD1 3.63Å; C150-L212 HydrophobicContact CB-CB 3.89Å; C150-L212 VanDerWaalsContact SG-C 3.59Å; C150-L212 WeakPolarHBondContact SG-CB 3.29Å; A153-L212 WeakPolarHBondContact CA-O 3.23Å; T154-L212 HydrophobicContact CG2-CB 4.49Å; T154-L212 HydrophobicContact CG2-CD1 4.16Å; T154-L212 PolarHBondContact O-N 3.36Å; I157-L212 HydrophobicContact CD1-CD1 4.3Å; I157-L212 HydrophobicContact CG1-CD1 4.12Å; M171-L212 HydrophobicContact CE-CD2 3.49Å; M171-L212 VanDerWaalsContact CE-CD2 3.49Å; M190-L212 HydrophobicContact CE-CD2 3.82Å; M190-L212 HydrophobicContact SD-CD2 3.72Å; L208-L212 HydrophobicContact CD1-CD1 4.2Å; L208-L212 HydrophobicContact CD1-CD2 3.49Å; L208-L212 VanDerWaalsContact CD1-CD2 3.49Å; L208-L212 HydrophobicContact CD1-CG 3.71Å; L212-Y218 HydrophobicContact CB-CE2 3.9Å; L212-Y218 HydrophobicContact CD2-CD1 3.72Å; L212-Y218 HydrophobicContact CD2-CD2 3.93Å; L212-Y218 HydrophobicContact CD2-CE1 3.61Å; L212-Y218 HydrophobicContact CD2-CE2 3.83Å; L212-Y218 HydrophobicContact CD2-CG 3.87Å; L212-Y218 HydrophobicContact CG-CE2 4.34Å
213	K	94.4	Very high	95.8	Very high	116 Å²	116	49.8 Å²	49.8	50%	0.504	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-102.5	131	-178.9	-63.7	-171.3	176.3	-168.4	0	109.9	C150 R216 Y218	C150-K213 VanDerWaalsContact CB-O 3.26Å; C150-K213 WeakPolarHBondContact CB-O 3.5Å; K213-R216 HydrophobicContact CB-CG 4.17Å; K213-R216 WeakPolarHBondContact O-CB 3.42Å; K213-R216 PolarHBondContact O-N 3.48Å; K213-Y218 PolarHBondContact N-OH 2.88Å
214	P	95.9	Very high	95.9	Very high	75 Å²	75	49.8 Å²	49.8	49%	0.487	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	140.9	175.4	-31.9	37	0	0	0	113.6	C150 V151 A153 R216	C150-P214 CarbonylContact O-C 3.56Å; C150-P214 WeakPolarHBondContact O-CA 3.17Å; V151-P214 WeakPolarHBondContact O-CB 3.43Å; A153-P214 HydrophobicContact CB-CG 4.15Å; P214-R216 PolarHBondContact O-N 3.2Å
215	G	92.6	Very high	96	Very high	61 Å²	61	52.3 Å²	52.3	63%	0.629	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	6.5	179.2	0	0	0	0	0	115.3	C150	C150-G215 PolarHBondContact O-N 3.25Å
216	R	93.7	Very high	95.9	Very high	138 Å²	138	53 Å²	53	52%	0.521	26%	0.259	S	S	.	.			trans	-100.7	150	175.5	-63.3	-163.2	-178.8	-162.6	-7.5	112.3	C150 K213 P214 Y218	C150-R216 PolarHBondContact N-O 3.39Å; K213-R216 HydrophobicContact CB-CG 4.17Å; K213-R216 WeakPolarHBondContact O-CB 3.42Å; K213-R216 PolarHBondContact O-N 3.48Å; P214-R216 PolarHBondContact O-N 3.2Å; R216-Y218 HydrophobicContact CB-CD2 4.46Å; R216-Y218 HydrophobicContact CB-CE2 3.63Å; R216-Y218 WeakPolarHBondContact O-CD2 3.33Å
217	L	95.1	Very high	95.8	Very high	62 Å²	62	55.1 Å²	55.1	33%	0.325	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	142.7	173.5	-62.5	176.3	0	0	0	111.6	R125 E147 L148 E149 E174	R125-L217 HydrophobicContact CG-CD2 4.35Å; E147-L217 HydrophobicContact CG-CD2 4.48Å; L148-L217 CarbonylContact O-C 3.53Å; L148-L217 VanDerWaalsContact O-CA 3.32Å; L148-L217 WeakPolarHBondContact O-CA 3.36Å; E149-L217 HydrophobicContact CB-CD2 3.88Å; E149-L217 HydrophobicContact CG-CD2 4.32Å; E174-L217 HydrophobicContact CB-CB 4.15Å; E174-L217 HydrophobicContact CG-CB 4.26Å; E174-L217 PolarHBondContact N-O 2.84Å; E174-L217 VanDerWaalsContact N-O 3.09Å
218	Y	95.9	Very high	95.8	Very high	8 Å²	8	54.9 Å²	54.9	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157	-178.8	-63.1	-84.8	0	0	0	109.1	E147 L148 C150 M171 A172 A173 M190 L212 K213 R216	E147-Y218 CarbonylContact C-O 3.48Å; E147-Y218 WeakPolarHBondContact CA-O 3.43Å; L148-Y218 PolarHBondContact N-O 3Å; L148-Y218 PolarHBondContact O-N 2.93Å; C150-Y218 HydrophobicContact CB-CD2 4.27Å; C150-Y218 HydrophobicContact CB-CE2 3.84Å; M171-Y218 HydrophobicContact CE-CD1 3.76Å; M171-Y218 HydrophobicContact CE-CG 4.23Å; M171-Y218 HydrophobicContact SD-CD1 4.24Å; M171-Y218 HydrophobicContact SD-CG 4.39Å; A172-Y218 CarbonylContact O-C 3.58Å; A172-Y218 WeakPolarHBondContact O-CA 3.35Å; A173-Y218 HydrophobicContact CB-CD1 3.97Å; A173-Y218 HydrophobicContact CB-CE1 3.88Å; M190-Y218 HydrophobicContact SD-CD1 3.61Å; M190-Y218 HydrophobicContact SD-CE1 3.33Å; M190-Y218 WeakPolarHBondContact SD-CE1 3.5Å; L212-Y218 HydrophobicContact CB-CE2 3.9Å; L212-Y218 HydrophobicContact CD2-CD1 3.72Å; L212-Y218 HydrophobicContact CD2-CD2 3.93Å; L212-Y218 HydrophobicContact CD2-CE1 3.61Å; L212-Y218 HydrophobicContact CD2-CE2 3.83Å; L212-Y218 HydrophobicContact CD2-CG 3.87Å; L212-Y218 HydrophobicContact CG-CE2 4.34Å; K213-Y218 PolarHBondContact N-OH 2.88Å; R216-Y218 HydrophobicContact CB-CD2 4.46Å; R216-Y218 HydrophobicContact CB-CE2 3.63Å; R216-Y218 WeakPolarHBondContact O-CD2 3.33Å
219	R	97.3	Very high	95.3	Very high	85 Å²	85	58.1 Å²	58.1	32%	0.321	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.6	176.3	-177	178	-77.8	95.9	5.1	109.4	S145 I146 M171 A172 E174 N221	S145-R219 WeakPolarHBondContact OG-CD 3.48Å; S145-R219 WeakPolarHBondContact OG-CG 3.48Å; I146-R219 WeakPolarHBondContact O-CA 3.35Å; M171-R219 WeakPolarHBondContact CA-O 3.32Å; A172-R219 PolarHBondContact N-O 3.3Å; A172-R219 PolarHBondContact O-N 2.82Å; E174-R219 IonicContact OE1-CZ 3.31Å; E174-R219 IonicContact OE1-NH1 3.51Å; E174-R219 PolarHBondContact OE1-NH1 3.47Å; E174-R219 IonicContact OE1-NH2 3.44Å; E174-R219 PolarHBondContact OE1-NH2 3.09Å; R219-N221 WeakPolarHBondContact CG-OD1 3.49Å
220	L	97.6	Very high	94.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.5	173.1	173.8	67.8	0	0	0	108.6	S145 I146 L148 I157 L159 V169 M171 V206 V222	S145-L220 CarbonylContact C-O 3.33Å; S145-L220 WeakPolarHBondContact CA-O 3.46Å; I146-L220 HydrophobicContact CB-CB 4.46Å; I146-L220 HydrophobicContact CD1-CD2 4.34Å; I146-L220 PolarHBondContact N-O 2.99Å; I146-L220 PolarHBondContact O-N 3.42Å; L148-L220 HydrophobicContact CD1-CB 3.8Å; L148-L220 HydrophobicContact CD1-CD2 4.26Å; I157-L220 HydrophobicContact CG2-CD2 4.16Å; L159-L220 HydrophobicContact CD2-CD2 4.18Å; V169-L220 HydrophobicContact CG1-CD1 3.75Å; M171-L220 HydrophobicContact CG-CB 4.43Å; M171-L220 HydrophobicContact CG-CD1 4.09Å; V206-L220 HydrophobicContact CG2-CD1 4.48Å; L220-V222 HydrophobicContact CD1-CG2 4.27Å; L220-V222 HydrophobicContact CD2-CG2 4.24Å; L220-V222 HydrophobicContact CG-CG2 3.97Å
221	N	98.1	Very high	94.1	Very high	38 Å²	38	49.5 Å²	49.5	20%	0.203	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.2	173.6	-57.7	-24.1	0	0	0	109.5	V144 S145 V169 S170 R219	V144-N221 CarbonylContact O-C 3.56Å; V144-N221 VanDerWaalsContact O-CA 3.31Å; V144-N221 WeakPolarHBondContact O-CA 3.26Å; S145-N221 WeakPolarHBondContact CB-OD1 3.4Å; S145-N221 PolarHBondContact OG-OD1 3.15Å; V169-N221 WeakPolarHBondContact CA-O 3.35Å; S170-N221 PolarHBondContact N-O 3.25Å; S170-N221 PolarHBondContact O-N 3.07Å; R219-N221 WeakPolarHBondContact CG-OD1 3.49Å
222	V	98.3	Very high	93.7	Very high	1 Å²	1	45 Å²	45	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127	177.7	-169.9	0	0	0	0	109.2	E143 V144 V166 R168 V169 L220 P264	E143-V222 WeakPolarHBondContact CA-O 3.43Å; V144-V222 HydrophobicContact CG1-CB 3.87Å; V144-V222 HydrophobicContact CG1-CG2 4.45Å; V144-V222 PolarHBondContact N-O 3.4Å; V144-V222 PolarHBondContact O-N 3.12Å; V166-V222 HydrophobicContact CG1-CG1 3.53Å; V166-V222 HydrophobicContact CG2-CG1 4.41Å; R168-V222 CarbonylContact O-C 3.46Å; R168-V222 VanDerWaalsContact O-CA 3.31Å; R168-V222 WeakPolarHBondContact O-CA 3.42Å; V169-V222 HydrophobicContact CG1-CG2 4.48Å; V169-V222 HydrophobicContact CG2-CG1 4.45Å; L220-V222 HydrophobicContact CD1-CG2 4.27Å; L220-V222 HydrophobicContact CD2-CG2 4.24Å; L220-V222 HydrophobicContact CG-CG2 3.97Å; V222-P264 HydrophobicContact CG1-CG 3.97Å
223	S	98.4	Very high	93.6	Very high	14 Å²	14	45.4 Å²	45.4	10%	0.098	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.5	167.3	72.8	0	0	0	0	110.6	G142 D167 R168	G142-S223 CarbonylContact O-C 3.56Å; G142-S223 VanDerWaalsContact O-CA 3.28Å; G142-S223 WeakPolarHBondContact O-CA 3.29Å; D167-S223 PolarHBondContact N-O 3.02Å; R168-S223 WeakPolarHBondContact CB-OG 3.17Å; R168-S223 PolarHBondContact N-OG 3.35Å; R168-S223 PolarHBondContact O-N 3.46Å
224	F	98.3	Very high	93.6	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	158.6	-176.2	60.2	-88.1	0	0	0	112.4	L129 L131 F140 G142 V144 L164 E165 V166 A262 F263 P264	L129-F224 HydrophobicContact CD1-CZ 4.37Å; L131-F224 HydrophobicContact CD2-CE2 4.49Å; L131-F224 HydrophobicContact CD2-CZ 4.02Å; F140-F224 AromaticContact CE2-CE2 3.91Å; F140-F224 HydrophobicContact CE2-CE2 3.91Å; G142-F224 PolarHBondContact N-O 3.01Å; G142-F224 PolarHBondContact O-N 3.49Å; V144-F224 HydrophobicContact CB-CE1 4.35Å; V144-F224 HydrophobicContact CG1-CE1 4.11Å; L164-F224 HydrophobicContact CD1-CD2 4.43Å; L164-F224 HydrophobicContact CD2-CD2 4.16Å; L164-F224 HydrophobicContact CD2-CE2 4.49Å; E165-F224 CarbonylContact O-C 3.49Å; E165-F224 WeakPolarHBondContact O-CA 3.38Å; E165-F224 VanDerWaalsContact O-CB 3.3Å; E165-F224 WeakPolarHBondContact O-CB 3.48Å; V166-F224 HydrophobicContact CG2-CB 4.44Å; F224-A262 WeakPolarHBondContact CE2-O 3.47Å; F224-A262 WeakPolarHBondContact CZ-O 3.21Å; F224-F263 HydrophobicContact CE1-CB 3.95Å; F224-F263 HydrophobicContact CE2-CB 4.32Å; F224-F263 HydrophobicContact CZ-CB 3.51Å; F224-P264 VanDerWaalsContact CD1-CD 3.47Å; F224-P264 HydrophobicContact CD1-CG 4.09Å; F224-P264 VanDerWaalsContact CE1-CD 3.47Å
225	D	97.9	Very high	93.6	Very high	64 Å²	64	36.6 Å²	36.6	34%	0.342	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.7	171.5	-72.6	-60.1	0	0	0	110.3	S141 E165	S141-D225 WeakPolarHBondContact CA-OD1 3.21Å; S141-D225 WeakPolarHBondContact CB-OD1 3.27Å; E165-D225 PolarHBondContact N-O 3.12Å; E165-D225 PolarHBondContact O-N 3.1Å
226	A	96.9	Very high	93.7	Very high	13 Å²	13	33.7 Å²	33.7	11%	0.107	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	160.4	177.7	0	0	0	0	0	112.9	T139 F140 L164	T139-A226 CarbonylContact C-O 3.6Å; T139-A226 WeakPolarHBondContact CA-O 3.33Å; F140-A226 HydrophobicContact CD1-CB 4.11Å; F140-A226 WeakPolarHBondContact CD1-O 3.01Å; F140-A226 HydrophobicContact CE1-CB 3.4Å; F140-A226 HydrophobicContact CE2-CB 4.3Å; F140-A226 HydrophobicContact CZ-CB 3.5Å; F140-A226 PolarHBondContact N-O 3.39Å; F140-A226 PolarHBondContact O-N 3.45Å; L164-A226 HydrophobicContact CD2-CB 3.62Å
227	A	96.4	Very high	93.7	Very high	46 Å²	46	30 Å²	30	38%	0.38	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	147.3	172.5	0	0	0	0	0	111.1	F140 E229	F140-A227 WeakPolarHBondContact CE1-O 3.4Å; A227-E229 PolarHBondContact O-N 2.88Å
228	I	95.8	Very high	93.5	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.015	14%	0.14	C	C	.	.			trans	-86.7	93.4	165.8	-52.1	174.4	0	0	0	106.8	V133 M135 F138 F140 F235 F236 R237 A250	V133-I228 HydrophobicContact CG1-CD1 3.77Å; M135-I228 HydrophobicContact SD-CD1 4.32Å; F138-I228 HydrophobicContact CB-CB 4.25Å; F138-I228 PolarHBondContact O-N 2.91Å; F140-I228 HydrophobicContact CB-CG1 4.46Å; F140-I228 HydrophobicContact CD1-CG1 3.77Å; I228-F235 HydrophobicContact CD1-CE1 4.05Å; I228-F235 HydrophobicContact CD1-CZ 4.37Å; I228-F235 HydrophobicContact CG1-CD1 4.26Å; I228-F235 HydrophobicContact CG1-CE1 4.05Å; I228-F236 VanDerWaalsContact CG2-C 3.47Å; I228-R237 HydrophobicContact CG2-CB 3.81Å; I228-A250 HydrophobicContact CD1-CB 4.36Å; I228-A250 HydrophobicContact CG2-CB 4.04Å
229	E	87	Confident	93.2	Very high	73 Å²	73	29 Å²	29	34%	0.341	15%	0.152	S	C	.	.	B	Isolated β-bridge	trans	-64.4	157.4	-172.4	-63.9	-71	-171.8	0	0	112.8	A227 E231 F236 R237	A227-E229 PolarHBondContact O-N 2.88Å; E229-E231 HydrophobicContact CB-CB 4.17Å; E229-F236 CarbonylContact O-C 3.56Å; E229-F236 VanDerWaalsContact O-CA 3.3Å; E229-F236 WeakPolarHBondContact O-CA 3.18Å; E229-F236 WeakPolarHBondContact O-CB 3.5Å; E229-R237 PolarHBondContact O-N 3.17Å
230	D	82.5	Confident	92.7	Very high	73 Å²	73	25.5 Å²	25.5	39%	0.39	14%	0.139	S	C	.	.	S	Bend	trans	-85.8	-0.2	167.9	-142.9	-33.8	0	0	0	112.5	R237 K387	D230-R237 IonicContact OD2-CZ 2.89Å; D230-R237 IonicContact OD2-NE 3.64Å; D230-R237 PolarHBondContact OD2-NE 2.52Å; D230-R237 IonicContact OD2-NH2 3.73Å; D230-R237 PolarHBondContact OD2-NH2 2.82Å; D230-K387 PolarHBondContact O-NZ 3.38Å; D230-K387 IonicContact OD1-NZ 2.96Å; D230-K387 PolarHBondContact OD1-NZ 2.96Å
231	E	76.8	Confident	92.1	Very high	64 Å²	64	29.9 Å²	29.9	30%	0.299	17%	0.166	S	C	.	.	S	Bend	trans	-79.1	144.2	174.3	-66	-179.1	-166.6	0	0	110.6	R163 E229 L233 F236	R163-E231 IonicContact CZ-OE1 3.86Å; R163-E231 IonicContact CZ-OE2 3.99Å; R163-E231 IonicContact NH1-OE1 3.5Å; R163-E231 PolarHBondContact NH1-OE1 3.48Å; R163-E231 IonicContact NH1-OE2 3.64Å; R163-E231 PolarHBondContact NH1-OE2 3.07Å; R163-E231 IonicContact NH2-OE1 3.75Å; R163-E231 IonicContact NH2-OE2 3.67Å; R163-E231 PolarHBondContact NH2-OE2 3.38Å; E229-E231 HydrophobicContact CB-CB 4.17Å; E231-L233 PolarHBondContact O-N 3.24Å; E231-F236 WeakPolarHBondContact O-CB 2.98Å; E231-F236 WeakPolarHBondContact O-CG 3.48Å
232	L	85.1	Confident	91.5	Very high	8 Å²	8	29 Å²	29	4%	0.042	16%	0.161	C	C	.	.	S	Bend	trans	-71.8	6.9	-170	-76.2	169.5	0	0	0	116.4	F236 K387 P389 M943	L232-F236 HydrophobicContact CD2-CE2 4Å; L232-F236 HydrophobicContact CD2-CZ 4.39Å; L232-F236 WeakPolarHBondContact O-CE1 3.3Å; L232-K387 HydrophobicContact CD2-CD 3.87Å; L232-K387 HydrophobicContact CD2-CG 3.41Å; L232-K387 VanDerWaalsContact CD2-CG 3.41Å; L232-P389 HydrophobicContact CB-CB 3.86Å; L232-P389 HydrophobicContact CB-CG 4.04Å; L232-P389 HydrophobicContact CD1-CB 4.17Å; L232-P389 WeakPolarHBondContact O-CD 3.35Å; L232-P389 WeakPolarHBondContact O-CG 3.42Å; L232-M943 HydrophobicContact CD1-CE 4.22Å; L232-M943 HydrophobicContact CD1-SD 3.53Å; L232-M943 VanDerWaalsContact CD1-SD 3.53Å
233	L	91.3	Very high	90.8	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.052	20%	0.201	C	C	.	.	S	Bend	trans	-132.3	145.7	-166	-59.9	169.7	0	0	0	111.1	E231 Q253 H258 P389 E939	E231-L233 PolarHBondContact O-N 3.24Å; L233-Q253 HydrophobicContact CD2-CG 4.12Å; L233-H258 HydrophobicContact CB-CB 4.43Å; L233-P389 HydrophobicContact CD2-CB 4.49Å; L233-P389 HydrophobicContact CD2-CG 4.09Å; L233-E939 HydrophobicContact CD1-CB 3.63Å
234	G	94.9	Very high	90	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.4	-138.1	-174.1	0	0	0	0	0	111.1	T252 Q253	G234-T252 CarbonylContact O-C 3.42Å; G234-T252 VanDerWaalsContact O-CA 3.27Å; G234-T252 WeakPolarHBondContact O-CA 3.48Å; G234-Q253 PolarHBondContact N-O 2.76Å; G234-Q253 PolarHBondContact O-N 3.05Å
235	F	96.8	Very high	89.6	Confident	5 Å²	5	53.4 Å²	53.4	2%	0.022	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	107.8	171.6	-177.4	-143.1	0	0	0	109.3	V133 F140 I228 A250 V251 T252 A262 W321	V133-F235 HydrophobicContact CG1-CE1 4.15Å; V133-F235 HydrophobicContact CG1-CZ 3.95Å; V133-F235 HydrophobicContact CG2-CE1 4Å; V133-F235 HydrophobicContact CG2-CZ 4.05Å; F140-F235 HydrophobicContact CB-CD1 4.5Å; F140-F235 HydrophobicContact CB-CE1 4.14Å; F140-F235 AromaticContact CD1-CD1 3.65Å; F140-F235 HydrophobicContact CD1-CD1 3.65Å; F140-F235 HydrophobicContact CD1-CE1 4.08Å; F140-F235 HydrophobicContact CD2-CD1 4.07Å; F140-F235 HydrophobicContact CD2-CE1 4.38Å; F140-F235 HydrophobicContact CE1-CB 4.43Å; F140-F235 AromaticContact CE1-CD1 3.75Å; F140-F235 HydrophobicContact CE1-CD1 3.75Å; F140-F235 HydrophobicContact CE2-CD1 4.14Å; F140-F235 AromaticContact CG-CD1 3.81Å; F140-F235 HydrophobicContact CG-CD1 3.81Å; F140-F235 AromaticContact CG-CE1 3.96Å; F140-F235 HydrophobicContact CG-CE1 3.96Å; F140-F235 HydrophobicContact CZ-CB 4.38Å; F140-F235 AromaticContact CZ-CD1 4Å; F140-F235 HydrophobicContact CZ-CD1 4Å; I228-F235 HydrophobicContact CD1-CE1 4.05Å; I228-F235 HydrophobicContact CD1-CZ 4.37Å; I228-F235 HydrophobicContact CG1-CD1 4.26Å; I228-F235 HydrophobicContact CG1-CE1 4.05Å; F235-A250 HydrophobicContact CD2-CB 4.36Å; F235-A250 HydrophobicContact CE2-CB 3.42Å; F235-A250 VanDerWaalsContact CE2-CB 3.42Å; F235-A250 HydrophobicContact CZ-CB 3.55Å; F235-V251 WeakPolarHBondContact CD2-O 3.46Å; F235-T252 HydrophobicContact CB-CG2 4.12Å; F235-T252 HydrophobicContact CD2-CG2 3.66Å; F235-T252 HydrophobicContact CE2-CG2 4.48Å; F235-T252 HydrophobicContact CG-CG2 4.19Å; F235-A262 HydrophobicContact CB-CB 4.05Å; F235-W321 HydrophobicContact CB-CZ2 4.42Å; F235-W321 AromaticContact CD1-NE1 3.79Å; F235-W321 AromaticContact CD2-NE1 3.36Å; F235-W321 AromaticContact CE1-NE1 3.72Å; F235-W321 AromaticContact CE2-CD1 3.58Å; F235-W321 AromaticContact CE2-NE1 3.28Å; F235-W321 VanDerWaalsContact CE2-NE1 3.28Å; F235-W321 HydrophobicContact CG-CZ2 4.34Å; F235-W321 AromaticContact CG-NE1 3.64Å; F235-W321 AromaticContact CZ-CD1 3.88Å; F235-W321 AromaticContact CZ-NE1 3.47Å
236	F	94.6	Very high	89.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	161.4	-166.4	72.9	-86.4	0	0	0	112.9	I228 E229 E231 L232 A250 V251 Q253	I228-F236 VanDerWaalsContact CG2-C 3.47Å; E229-F236 CarbonylContact O-C 3.56Å; E229-F236 VanDerWaalsContact O-CA 3.3Å; E229-F236 WeakPolarHBondContact O-CA 3.18Å; E229-F236 WeakPolarHBondContact O-CB 3.5Å; E231-F236 WeakPolarHBondContact O-CB 2.98Å; E231-F236 WeakPolarHBondContact O-CG 3.48Å; L232-F236 HydrophobicContact CD2-CE2 4Å; L232-F236 HydrophobicContact CD2-CZ 4.39Å; L232-F236 WeakPolarHBondContact O-CE1 3.3Å; F236-A250 CarbonylContact O-C 3.6Å; F236-A250 VanDerWaalsContact O-CA 3.27Å; F236-A250 WeakPolarHBondContact O-CA 3.4Å; F236-V251 HydrophobicContact CD1-CG1 4.35Å; F236-V251 VanDerWaalsContact CD1-O 3.3Å; F236-V251 WeakPolarHBondContact CD1-O 3.13Å; F236-V251 HydrophobicContact CD2-CG1 4.4Å; F236-V251 HydrophobicContact CE1-CG1 3.74Å; F236-V251 HydrophobicContact CE2-CG1 3.79Å; F236-V251 HydrophobicContact CZ-CG1 3.43Å; F236-V251 VanDerWaalsContact CZ-CG1 3.43Å; F236-V251 PolarHBondContact N-O 2.82Å; F236-V251 PolarHBondContact O-N 3.38Å; F236-Q253 HydrophobicContact CE1-CB 3.86Å
237	R	93	Very high	88.9	Confident	62 Å²	62	57.4 Å²	57.4	23%	0.234	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	147.6	179.1	71.2	-175.2	-171.5	-163.8	-5.3	111.9	F138 I228 E229 D230 L249	F138-R237 HydrophobicContact CD1-CB 4.28Å; F138-R237 VanDerWaalsContact CD1-CD 3.42Å; F138-R237 HydrophobicContact CD1-CG 4.47Å; F138-R237 VanDerWaalsContact CE2-NH1 3.34Å; I228-R237 HydrophobicContact CG2-CB 3.81Å; E229-R237 PolarHBondContact O-N 3.17Å; D230-R237 IonicContact OD2-CZ 2.89Å; D230-R237 IonicContact OD2-NE 3.64Å; D230-R237 PolarHBondContact OD2-NE 2.52Å; D230-R237 IonicContact OD2-NH2 3.73Å; D230-R237 PolarHBondContact OD2-NH2 2.82Å; R237-L249 CarbonylContact C-O 3.58Å; R237-L249 VanDerWaalsContact CA-O 3.28Å; R237-L249 WeakPolarHBondContact CA-O 3.29Å
238	S	90.4	Very high	88.8	Confident	6 Å²	6	58.6 Å²	58.6	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	167.9	169.4	178.6	0	0	0	0	109.4	Y248 L249 K387	S238-Y248 WeakPolarHBondContact O-CA 3.41Å; S238-L249 PolarHBondContact N-O 3.17Å; S238-L249 WeakPolarHBondContact O-CD2 3.37Å; S238-L249 PolarHBondContact O-N 3.1Å; S238-K387 WeakPolarHBondContact OG-CB 3.4Å
239	S	89.7	Confident	88.8	Confident	41 Å²	41	58.5 Å²	58.5	29%	0.287	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.1	178.9	69.3	0	0	0	0	112.8	K246 R247	S239-K246 WeakPolarHBondContact OG-CE 3.43Å; S239-R247 CarbonylContact C-O 3.36Å; S239-R247 WeakPolarHBondContact CA-O 3.35Å; S239-R247 VanDerWaalsContact CB-O 3.28Å; S239-R247 WeakPolarHBondContact CB-O 3.45Å
240	Y	87.8	Confident	89.3	Confident	13 Å²	13	55 Å²	55	5%	0.051	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	161	174.4	62.5	-80.4	0	0	0	110.6	L242 K246 R247 L249 F326 R344 P386	Y240-L242 HydrophobicContact CD2-CB 4.14Å; Y240-L242 HydrophobicContact CE2-CB 3.9Å; Y240-L242 HydrophobicContact CE2-CD2 4.45Å; Y240-K246 WeakPolarHBondContact O-CA 3.37Å; Y240-R247 HydrophobicContact CD1-CB 4.21Å; Y240-R247 HydrophobicContact CD2-CB 4.41Å; Y240-R247 HydrophobicContact CE1-CB 3.71Å; Y240-R247 HydrophobicContact CE2-CB 4.01Å; Y240-R247 HydrophobicContact CE2-CG 4.48Å; Y240-R247 PolarHBondContact N-O 2.81Å; Y240-R247 PolarHBondContact O-N 3.48Å; Y240-L249 HydrophobicContact CD1-CD2 3.79Å; Y240-L249 HydrophobicContact CE1-CD2 4.13Å; Y240-F326 HydrophobicContact CD1-CE1 4.14Å; Y240-F326 HydrophobicContact CE1-CD1 4.37Å; Y240-F326 AromaticContact CE1-CE1 3.61Å; Y240-F326 HydrophobicContact CE1-CE1 3.61Å; Y240-F326 AromaticContact CZ-CE1 3.93Å; Y240-R344 VanDerWaalsContact CB-CD 3.48Å; Y240-R344 HydrophobicContact CD1-CG 4.35Å; Y240-R344 HydrophobicContact CD2-CB 4.48Å; Y240-R344 HydrophobicContact CD2-CG 3.75Å; Y240-R344 HydrophobicContact CE2-CB 4.32Å; Y240-R344 HydrophobicContact CE2-CG 3.88Å; Y240-R344 HydrophobicContact CG-CG 3.96Å; Y240-P386 HydrophobicContact CD1-CG 4.39Å; Y240-P386 HydrophobicContact CG-CG 4.48Å
241	T	84.8	Confident	90	Very high	92 Å²	92	51.6 Å²	51.6	56%	0.564	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.5	174.4	-59.1	0	0	0	0	109.8	E245	T241-E245 WeakPolarHBondContact CA-O 3.38Å
242	L	84.7	Confident	90.9	Very high	19 Å²	19	48.6 Å²	48.6	10%	0.099	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.1	171.5	-175.5	67.8	0	0	0	108.2	Y240 R244 E245 P345 D346	Y240-L242 HydrophobicContact CD2-CB 4.14Å; Y240-L242 HydrophobicContact CE2-CB 3.9Å; Y240-L242 HydrophobicContact CE2-CD2 4.45Å; L242-R244 PolarHBondContact O-N 2.97Å; L242-R244 VanDerWaalsContact O-N 3.15Å; L242-E245 PolarHBondContact N-O 3.3Å; L242-E245 WeakPolarHBondContact O-CB 3.5Å; L242-E245 PolarHBondContact O-N 3.46Å; L242-P345 HydrophobicContact CD2-CG 4.28Å; L242-D346 HydrophobicContact CD1-CB 3.98Å
243	Q	84.4	Confident	91.5	Very high	180 Å²	180	48.2 Å²	48.2	84%	0.841	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	37.1	-179	-60.5	-179.4	-8.7	0	0	114.3	E245	Q243-E245 PolarHBondContact O-N 3.41Å
244	R	81.8	Confident	91.7	Very high	245 Å²	245	47.7 Å²	47.7	93%	0.925	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	7.3	-175.7	-51.2	179.1	177.1	-174.8	-1.9	115.5	L242	L242-R244 PolarHBondContact O-N 2.97Å; L242-R244 VanDerWaalsContact O-N 3.15Å
245	E	88.3	Confident	91.6	Very high	104 Å²	104	48 Å²	48	49%	0.486	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.8	171.4	-175.3	-175	-151.2	0	0	109.6	T241 L242 Q243 R247	T241-E245 WeakPolarHBondContact CA-O 3.38Å; L242-E245 PolarHBondContact N-O 3.3Å; L242-E245 WeakPolarHBondContact O-CB 3.5Å; L242-E245 PolarHBondContact O-N 3.46Å; Q243-E245 PolarHBondContact O-N 3.41Å; E245-R247 HydrophobicContact CG-CG 4.47Å; E245-R247 IonicContact OE2-CZ 3.63Å; E245-R247 IonicContact OE2-NE 3.8Å; E245-R247 PolarHBondContact OE2-NE 3.35Å; E245-R247 VanDerWaalsContact OE2-NE 3.07Å; E245-R247 IonicContact OE2-NH2 2.59Å; E245-R247 PolarHBondContact OE2-NH2 2.89Å
246	K	89.2	Confident	91.4	Very high	89 Å²	89	48 Å²	48	39%	0.387	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.1	173.2	-172	172.2	-175.4	171.9	0	108.8	S239 Y240 Y248 D898	S239-K246 WeakPolarHBondContact OG-CE 3.43Å; Y240-K246 WeakPolarHBondContact O-CA 3.37Å; K246-Y248 WeakPolarHBondContact CE-OH 3.42Å; K246-Y248 HydrophobicContact CG-CE2 4.38Å; K246-D898 IonicContact NZ-OD1 2.75Å
247	R	92.1	Very high	91.4	Very high	72 Å²	72	48.6 Å²	48.6	27%	0.272	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147.5	177.9	-64.4	-170.3	177.9	-167.9	-1.9	110.2	S239 Y240 E245	S239-R247 CarbonylContact C-O 3.36Å; S239-R247 WeakPolarHBondContact CA-O 3.35Å; S239-R247 VanDerWaalsContact CB-O 3.28Å; S239-R247 WeakPolarHBondContact CB-O 3.45Å; Y240-R247 HydrophobicContact CD1-CB 4.21Å; Y240-R247 HydrophobicContact CD2-CB 4.41Å; Y240-R247 HydrophobicContact CE1-CB 3.71Å; Y240-R247 HydrophobicContact CE2-CB 4.01Å; Y240-R247 HydrophobicContact CE2-CG 4.48Å; Y240-R247 PolarHBondContact N-O 2.81Å; Y240-R247 PolarHBondContact O-N 3.48Å; E245-R247 HydrophobicContact CG-CG 4.47Å; E245-R247 IonicContact OE2-CZ 3.63Å; E245-R247 IonicContact OE2-NE 3.8Å; E245-R247 PolarHBondContact OE2-NE 3.35Å; E245-R247 VanDerWaalsContact OE2-NE 3.07Å; E245-R247 IonicContact OE2-NH2 2.59Å; E245-R247 PolarHBondContact OE2-NH2 2.89Å
248	Y	93.8	Very high	91.5	Very high	72 Å²	72	46.3 Å²	46.3	28%	0.282	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	154.7	-178.7	-66.4	-85.4	0	0	0	111.3	F138 S238 K246	F138-Y248 AromaticContact CE1-CD1 3.77Å; F138-Y248 HydrophobicContact CE1-CD1 3.77Å; F138-Y248 HydrophobicContact CE1-CD2 4.28Å; F138-Y248 HydrophobicContact CE1-CE1 4.32Å; F138-Y248 AromaticContact CE1-CG 3.75Å; F138-Y248 HydrophobicContact CE1-CG 3.75Å; F138-Y248 AromaticContact CZ-CD1 3.74Å; F138-Y248 HydrophobicContact CZ-CD1 3.74Å; F138-Y248 AromaticContact CZ-CD2 3.89Å; F138-Y248 HydrophobicContact CZ-CD2 3.89Å; F138-Y248 AromaticContact CZ-CE1 3.86Å; F138-Y248 HydrophobicContact CZ-CE1 3.86Å; F138-Y248 AromaticContact CZ-CE2 4Å; F138-Y248 HydrophobicContact CZ-CE2 4Å; F138-Y248 AromaticContact CZ-CG 3.76Å; F138-Y248 HydrophobicContact CZ-CG 3.76Å; F138-Y248 AromaticContact CZ-CZ 3.99Å; S238-Y248 WeakPolarHBondContact O-CA 3.41Å; K246-Y248 WeakPolarHBondContact CE-OH 3.42Å; K246-Y248 HydrophobicContact CG-CE2 4.38Å
249	L	95.8	Very high	91.8	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.4	167.9	62.3	151.5	0	0	0	108.3	R237 S238 Y240 V323 C324 F326 V385 P386	R237-L249 CarbonylContact C-O 3.58Å; R237-L249 VanDerWaalsContact CA-O 3.28Å; R237-L249 WeakPolarHBondContact CA-O 3.29Å; S238-L249 PolarHBondContact N-O 3.17Å; S238-L249 WeakPolarHBondContact O-CD2 3.37Å; S238-L249 PolarHBondContact O-N 3.1Å; Y240-L249 HydrophobicContact CD1-CD2 3.79Å; Y240-L249 HydrophobicContact CE1-CD2 4.13Å; L249-V323 WeakPolarHBondContact CA-O 3.25Å; L249-C324 HydrophobicContact CB-CB 3.66Å; L249-F326 HydrophobicContact CD1-CE2 4.29Å; L249-F326 HydrophobicContact CD1-CZ 3.92Å; L249-F326 HydrophobicContact CD2-CZ 4.43Å; L249-V385 HydrophobicContact CD1-CB 4.3Å; L249-V385 HydrophobicContact CD1-CG1 3.89Å; L249-P386 HydrophobicContact CD2-CG 4.23Å
250	A	97.2	Very high	92.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.5	169	0	0	0	0	0	109.5	M135 I228 F235 F236 A322 V323	M135-A250 HydrophobicContact CE-CB 4.32Å; M135-A250 HydrophobicContact SD-CB 3.9Å; I228-A250 HydrophobicContact CD1-CB 4.36Å; I228-A250 HydrophobicContact CG2-CB 4.04Å; F235-A250 HydrophobicContact CD2-CB 4.36Å; F235-A250 HydrophobicContact CE2-CB 3.42Å; F235-A250 VanDerWaalsContact CE2-CB 3.42Å; F235-A250 HydrophobicContact CZ-CB 3.55Å; F236-A250 CarbonylContact O-C 3.6Å; F236-A250 VanDerWaalsContact O-CA 3.27Å; F236-A250 WeakPolarHBondContact O-CA 3.4Å; A250-A322 CarbonylContact O-C 3.57Å; A250-A322 WeakPolarHBondContact O-CA 3.45Å; A250-V323 PolarHBondContact N-O 3.29Å; A250-V323 PolarHBondContact O-N 3.09Å
251	V	97.2	Very high	92.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.8	-175.6	64.8	0	0	0	0	109.9	F235 F236 A322 L383 V385 V400	F235-V251 WeakPolarHBondContact CD2-O 3.46Å; F236-V251 HydrophobicContact CD1-CG1 4.35Å; F236-V251 VanDerWaalsContact CD1-O 3.3Å; F236-V251 WeakPolarHBondContact CD1-O 3.13Å; F236-V251 HydrophobicContact CD2-CG1 4.4Å; F236-V251 HydrophobicContact CE1-CG1 3.74Å; F236-V251 HydrophobicContact CE2-CG1 3.79Å; F236-V251 HydrophobicContact CZ-CG1 3.43Å; F236-V251 VanDerWaalsContact CZ-CG1 3.43Å; F236-V251 PolarHBondContact N-O 2.82Å; F236-V251 PolarHBondContact O-N 3.38Å; V251-A322 HydrophobicContact CB-CB 4.36Å; V251-A322 HydrophobicContact CG2-CB 4.22Å; V251-L383 HydrophobicContact CG2-CD2 3.98Å; V251-V385 HydrophobicContact CG1-CG1 4.48Å; V251-V385 HydrophobicContact CG2-CG1 4.31Å; V251-V400 HydrophobicContact CG2-CG1 4.17Å; V251-V400 HydrophobicContact CG2-CG2 4.26Å
252	T	97.4	Very high	93.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.5	-175.9	42.7	0	0	0	0	111.8	G234 F235 F254 A320 W321	G234-T252 CarbonylContact O-C 3.42Å; G234-T252 VanDerWaalsContact O-CA 3.27Å; G234-T252 WeakPolarHBondContact O-CA 3.48Å; F235-T252 HydrophobicContact CB-CG2 4.12Å; F235-T252 HydrophobicContact CD2-CG2 3.66Å; F235-T252 HydrophobicContact CE2-CG2 4.48Å; F235-T252 HydrophobicContact CG-CG2 4.19Å; T252-F254 HydrophobicContact CG2-CE1 3.69Å; T252-F254 HydrophobicContact CG2-CE2 4.25Å; T252-F254 HydrophobicContact CG2-CZ 3.42Å; T252-F254 VanDerWaalsContact CG2-CZ 3.42Å; T252-A320 VanDerWaalsContact OG1-CA 3.27Å; T252-A320 WeakPolarHBondContact OG1-CA 3.49Å; T252-W321 HydrophobicContact CG2-CD2 3.58Å; T252-W321 HydrophobicContact CG2-CE3 4.1Å; T252-W321 HydrophobicContact CG2-CG 3.94Å; T252-W321 HydrophobicContact CG2-CH2 4.32Å; T252-W321 HydrophobicContact CG2-CZ2 3.79Å; T252-W321 HydrophobicContact CG2-CZ3 4.44Å; T252-W321 PolarHBondContact N-O 3.24Å; T252-W321 PolarHBondContact OG1-N 3.33Å; T252-W321 PolarHBondContact OG1-O 3.42Å
253	Q	96.1	Very high	93.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	104	166.4	172.9	54.3	41.6	0	0	108.9	L233 G234 F236 S255 H388 P389 Y390 M393	L233-Q253 HydrophobicContact CD2-CG 4.12Å; G234-Q253 PolarHBondContact N-O 2.76Å; G234-Q253 PolarHBondContact O-N 3.05Å; F236-Q253 HydrophobicContact CE1-CB 3.86Å; Q253-S255 PolarHBondContact NE2-O 3.31Å; Q253-H388 PolarHBondContact OE1-CE1 3.24Å; Q253-H388 PolarHBondContact OE1-NE2 2.89Å; Q253-P389 HydrophobicContact CB-CG 4.47Å; Q253-P389 HydrophobicContact CG-CG 3.76Å; Q253-Y390 HydrophobicContact CG-CD2 4.25Å; Q253-Y390 HydrophobicContact CG-CE2 3.96Å; Q253-Y390 VanDerWaalsContact NE2-CE2 3.3Å; Q253-M393 PolarHBondContact NE2-SD 3.23Å; Q253-M393 VanDerWaalsContact NE2-SD 3.4Å; Q253-M393 VanDerWaalsContact OE1-CB 3.23Å
254	F	96.5	Very high	94.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	13%	0.127	C	C	.	.			trans	-104.5	-22.7	-173.4	-64.8	-18	0	0	0	114.7	T252 P256 I257 H258 A259 A262 F263 L319 W321	T252-F254 HydrophobicContact CG2-CE1 3.69Å; T252-F254 HydrophobicContact CG2-CE2 4.25Å; T252-F254 HydrophobicContact CG2-CZ 3.42Å; T252-F254 VanDerWaalsContact CG2-CZ 3.42Å; F254-P256 CarbonylContact O-C 3.25Å; F254-P256 VanDerWaalsContact O-C 3.23Å; F254-I257 PolarHBondContact O-N 3Å; F254-I257 VanDerWaalsContact O-N 3.15Å; F254-H258 PolarHBondContact O-N 3.41Å; F254-A259 HydrophobicContact CB-CB 3.96Å; F254-A259 HydrophobicContact CD1-CB 4.34Å; F254-A259 HydrophobicContact CD2-CB 3.75Å; F254-A259 HydrophobicContact CE2-CB 4.35Å; F254-A259 HydrophobicContact CG-CB 3.76Å; F254-A262 HydrophobicContact CE1-CB 3.49Å; F254-A262 VanDerWaalsContact CE1-CB 3.49Å; F254-A262 HydrophobicContact CZ-CB 3.52Å; F254-F263 HydrophobicContact CE2-CE1 4.11Å; F254-F263 HydrophobicContact CZ-CE1 4.5Å; F254-L319 HydrophobicContact CD2-CB 4.21Å; F254-L319 WeakPolarHBondContact CD2-O 3.3Å; F254-L319 HydrophobicContact CE2-CB 4.13Å; F254-L319 HydrophobicContact CE2-CG 4.41Å; F254-L319 VanDerWaalsContact CE2-O 3.23Å; F254-L319 WeakPolarHBondContact CE2-O 3.43Å; F254-W321 HydrophobicContact CE2-CE3 4.36Å; F254-W321 AromaticContact CE2-CH2 3.87Å; F254-W321 HydrophobicContact CE2-CH2 3.87Å; F254-W321 AromaticContact CE2-CZ3 3.64Å; F254-W321 HydrophobicContact CE2-CZ3 3.64Å; F254-W321 HydrophobicContact CZ-CE3 4.36Å; F254-W321 AromaticContact CZ-CH2 3.41Å; F254-W321 HydrophobicContact CZ-CH2 3.41Å; F254-W321 VanDerWaalsContact CZ-CH2 3.41Å; F254-W321 AromaticContact CZ-CZ2 3.91Å; F254-W321 HydrophobicContact CZ-CZ2 3.91Å; F254-W321 AromaticContact CZ-CZ3 3.65Å; F254-W321 HydrophobicContact CZ-CZ3 3.65Å
255	S	93.4	Very high	95.3	Very high	6 Å²	6	19.2 Å²	19.2	4%	0.042	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	133	177.1	-172.4	0	0	0	0	110.7	Q253 M393	Q253-S255 PolarHBondContact NE2-O 3.31Å; S255-M393 WeakPolarHBondContact CB-SD 3.2Å
256	P	92.1	Very high	95.8	Very high	4 Å²	4	14.2 Å²	14.2	3%	0.026	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.6	-34.6	0.1	29.9	-29.2	0	0	0	114.3	F254 W443 I505 F509 L941	F254-P256 CarbonylContact O-C 3.25Å; F254-P256 VanDerWaalsContact O-C 3.23Å; P256-W443 HydrophobicContact CB-CH2 4.23Å; P256-W443 HydrophobicContact CB-CZ2 3.88Å; P256-W443 WeakPolarHBondContact O-CZ2 3.48Å; P256-I505 HydrophobicContact CB-CG2 3.86Å; P256-I505 HydrophobicContact CG-CD1 4.5Å; P256-I505 HydrophobicContact CG-CG2 3.58Å; P256-F509 HydrophobicContact CB-CE2 4.03Å; P256-F509 HydrophobicContact CB-CZ 3.87Å; P256-L941 HydrophobicContact CG-CD1 4.25Å
257	I	93.4	Very high	96.1	Very high	13 Å²	13	10.1 Å²	10.1	7%	0.067	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.3	31.7	-168	58.8	158.7	0	0	0	113.7	F254 R260 D267 A502 I505	F254-I257 PolarHBondContact O-N 3Å; F254-I257 VanDerWaalsContact O-N 3.15Å; I257-R260 WeakPolarHBondContact O-CD 3.48Å; I257-R260 VanDerWaalsContact O-CG 3.24Å; I257-R260 WeakPolarHBondContact O-CG 3.42Å; I257-R260 PolarHBondContact O-NE 2.9Å; I257-D267 WeakPolarHBondContact CA-OD2 3.24Å; I257-D267 VanDerWaalsContact O-OD2 3.06Å; I257-A502 HydrophobicContact CD1-CB 3.46Å; I257-A502 VanDerWaalsContact CD1-CB 3.46Å; I257-I505 HydrophobicContact CB-CD1 4.47Å; I257-I505 HydrophobicContact CD1-CD1 4.21Å; I257-I505 HydrophobicContact CG1-CD1 4.28Å; I257-I505 HydrophobicContact CG2-CD1 3.42Å; I257-I505 VanDerWaalsContact CG2-CD1 3.42Å
258	H	95.2	Very high	96.3	Very high	15 Å²	15	6.8 Å²	6.8	7%	0.069	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	3.8	-172.8	-56	-65	0	0	0	113.7	L233 F254 R260 K261	L233-H258 HydrophobicContact CB-CB 4.43Å; F254-H258 PolarHBondContact O-N 3.41Å; H258-R260 PolarHBondContact O-N 3.47Å; H258-K261 HydrophobicContact CB-CD 4.41Å; H258-K261 WeakPolarHBondContact O-CB 3.28Å; H258-K261 PolarHBondContact O-N 3.4Å; H258-K261 VanDerWaalsContact O-N 3.08Å
259	A	97.9	Very high	96.4	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.017	C	C	.	.	G	3₁₀ helix	trans	-61.3	-34	169.5	0	0	0	0	0	110.9	F254 K261 A262 F263 D267	F254-A259 HydrophobicContact CB-CB 3.96Å; F254-A259 HydrophobicContact CD1-CB 4.34Å; F254-A259 HydrophobicContact CD2-CB 3.75Å; F254-A259 HydrophobicContact CE2-CB 4.35Å; F254-A259 HydrophobicContact CG-CB 3.76Å; A259-K261 PolarHBondContact O-N 3.47Å; A259-K261 VanDerWaalsContact O-N 3.1Å; A259-A262 PolarHBondContact O-N 3.1Å; A259-F263 HydrophobicContact CB-CE1 4.07Å; A259-F263 HydrophobicContact CB-CZ 4.38Å; A259-F263 PolarHBondContact O-N 3.48Å; A259-F263 VanDerWaalsContact O-N 3.09Å; A259-D267 WeakPolarHBondContact CB-OD1 3.49Å; A259-D267 PolarHBondContact N-OD2 2.9Å
260	R	96.9	Very high	96.4	Very high	8 Å²	8	5.5 Å²	5.5	3%	0.03	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-59.1	-17.7	173.9	71.7	-170.5	64.8	-171.1	-4.2	115.2	H160 D162 L164 I257 H258 A262 D267	H160-R260 HydrophobicContact CB-CB 3.6Å; H160-R260 HydrophobicContact CB-CG 4.44Å; H160-R260 VanDerWaalsContact CD2-CZ 3.42Å; H160-R260 PolarHBondContact CD2-NH1 3.16Å; H160-R260 PolarHBondContact CE1-NH2 3.09Å; H160-R260 VanDerWaalsContact CE1-NH2 3.34Å; H160-R260 VanDerWaalsContact CG-CZ 3.47Å; H160-R260 PolarHBondContact ND1-NH2 3.07Å; H160-R260 PolarHBondContact NE2-NH2 3.47Å; D162-R260 HydrophobicContact CB-CG 4.03Å; D162-R260 PolarHBondContact N-O 2.88Å; L164-R260 WeakPolarHBondContact CD1-O 3.35Å; I257-R260 WeakPolarHBondContact O-CD 3.48Å; I257-R260 VanDerWaalsContact O-CG 3.24Å; I257-R260 WeakPolarHBondContact O-CG 3.42Å; I257-R260 PolarHBondContact O-NE 2.9Å; H258-R260 PolarHBondContact O-N 3.47Å; R260-A262 VanDerWaalsContact C-N 3.34Å; R260-D267 HydrophobicContact CB-CB 4.28Å; R260-D267 IonicContact CZ-OD2 3.96Å; R260-D267 PolarHBondContact N-OD2 3.4Å; R260-D267 IonicContact NE-OD2 3.63Å; R260-D267 PolarHBondContact NE-OD2 3.47Å; R260-D267 PolarHBondContact NH2-O 3.21Å; R260-D267 IonicContact NH2-OD2 3.7Å
261	K	96.1	Very high	96.4	Very high	18 Å²	18	6.6 Å²	6.6	8%	0.078	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-84.2	-9.9	173.9	-66.4	-174	172.6	-173.9	0	113.1	D162 L164 H258 A259 E939	D162-K261 HydrophobicContact CB-CG 4.1Å; D162-K261 WeakPolarHBondContact O-CA 3.28Å; D162-K261 VanDerWaalsContact OD2-CE 3.27Å; D162-K261 WeakPolarHBondContact OD2-CE 3.39Å; L164-K261 WeakPolarHBondContact CD2-O 3.23Å; H258-K261 HydrophobicContact CB-CD 4.41Å; H258-K261 WeakPolarHBondContact O-CB 3.28Å; H258-K261 PolarHBondContact O-N 3.4Å; H258-K261 VanDerWaalsContact O-N 3.08Å; A259-K261 PolarHBondContact O-N 3.47Å; A259-K261 VanDerWaalsContact O-N 3.1Å; K261-E939 IonicContact NZ-OE2 3.85Å; K261-E939 PolarHBondContact NZ-OE2 2.78Å
262	A	97.6	Very high	96.4	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-30	-178.9	0	0	0	0	0	112.7	F140 F224 F235 F254 A259 R260 W321	F140-A262 VanDerWaalsContact CE2-O 3.31Å; F140-A262 WeakPolarHBondContact CE2-O 3.48Å; F224-A262 WeakPolarHBondContact CE2-O 3.47Å; F224-A262 WeakPolarHBondContact CZ-O 3.21Å; F235-A262 HydrophobicContact CB-CB 4.05Å; F254-A262 HydrophobicContact CE1-CB 3.49Å; F254-A262 VanDerWaalsContact CE1-CB 3.49Å; F254-A262 HydrophobicContact CZ-CB 3.52Å; A259-A262 PolarHBondContact O-N 3.1Å; R260-A262 VanDerWaalsContact C-N 3.34Å; A262-W321 HydrophobicContact CB-CH2 3.88Å; A262-W321 HydrophobicContact CB-CZ2 3.92Å
263	F	98.1	Very high	96.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-160.5	153.7	174	62.1	-73.6	0	0	0	110.8	Y127 L129 V144 F224 F254 A259 C265 F275 L319 W321	Y127-F263 HydrophobicContact CD1-CE2 4.15Å; Y127-F263 HydrophobicContact CE1-CE2 4.27Å; L129-F263 HydrophobicContact CD1-CB 3.99Å; L129-F263 HydrophobicContact CD1-CD2 4.45Å; L129-F263 HydrophobicContact CD1-CG 4.25Å; L129-F263 HydrophobicContact CD2-CD1 4.08Å; L129-F263 HydrophobicContact CD2-CD2 4.45Å; L129-F263 HydrophobicContact CD2-CE1 4.43Å; L129-F263 HydrophobicContact CD2-CG 4.12Å; V144-F263 HydrophobicContact CG2-CD2 4.32Å; F224-F263 HydrophobicContact CE1-CB 3.95Å; F224-F263 HydrophobicContact CE2-CB 4.32Å; F224-F263 HydrophobicContact CZ-CB 3.51Å; F254-F263 HydrophobicContact CE2-CE1 4.11Å; F254-F263 HydrophobicContact CZ-CE1 4.5Å; A259-F263 HydrophobicContact CB-CE1 4.07Å; A259-F263 HydrophobicContact CB-CZ 4.38Å; A259-F263 PolarHBondContact O-N 3.48Å; A259-F263 VanDerWaalsContact O-N 3.09Å; F263-C265 HydrophobicContact CD2-CB 3.71Å; F263-C265 HydrophobicContact CE2-CB 3.36Å; F263-C265 HydrophobicContact CZ-CB 4.03Å; F263-C265 PolarHBondContact O-N 2.86Å; F263-F275 HydrophobicContact CE2-CE1 4.38Å; F263-F275 HydrophobicContact CZ-CE1 4.26Å; F263-L319 HydrophobicContact CE1-CD2 3.69Å; F263-L319 HydrophobicContact CZ-CD2 3.59Å; F263-W321 HydrophobicContact CD1-CH2 4.01Å; F263-W321 HydrophobicContact CE1-CH2 4.25Å; F263-W321 HydrophobicContact CE1-CZ3 4.41Å
264	P	98.2	Very high	96.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.			trans	-66.2	122.8	174.5	-21	34.8	0	0	0	111.1	L159 H160 A161 L164 V222 F224	L159-P264 HydrophobicContact CD1-CB 3.46Å; L159-P264 VanDerWaalsContact CD1-CB 3.46Å; H160-P264 CarbonylContact O-C 3.56Å; H160-P264 VanDerWaalsContact O-CA 3.3Å; H160-P264 WeakPolarHBondContact O-CA 3.43Å; A161-P264 HydrophobicContact CB-CB 4.3Å; A161-P264 HydrophobicContact CB-CG 4.45Å; L164-P264 HydrophobicContact CD1-CG 3.85Å; V222-P264 HydrophobicContact CG1-CG 3.97Å; F224-P264 VanDerWaalsContact CD1-CD 3.47Å; F224-P264 HydrophobicContact CD1-CG 4.09Å; F224-P264 VanDerWaalsContact CE1-CD 3.47Å
265	C	98.5	Very high	96.7	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	B	Isolated β-bridge	trans	-155.1	166.8	-175.7	65	0	0	0	0	115.1	Y127 H160 F263 D267 T316	Y127-C265 HydrophobicContact CE1-CB 3.89Å; H160-C265 WeakPolarHBondContact CA-O 3.23Å; H160-C265 WeakPolarHBondContact CB-O 3.29Å; H160-C265 PolarHBondContact N-O 3.16Å; H160-C265 PolarHBondContact O-N 2.92Å; F263-C265 HydrophobicContact CD2-CB 3.71Å; F263-C265 HydrophobicContact CE2-CB 3.36Å; F263-C265 HydrophobicContact CZ-CB 4.03Å; F263-C265 PolarHBondContact O-N 2.86Å; C265-D267 PolarHBondContact O-N 2.92Å; C265-T316 HydrophobicContact CB-CG2 4.11Å
266	F	98.3	Very high	97	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.			trans	-80	75.1	171	-68.3	-102.5	0	0	0	109.4	L118 V122 P124 Y127 L148 I157 V158 L159 E268 Y271	L118-F266 HydrophobicContact CD1-CB 4.05Å; L118-F266 HydrophobicContact CD1-CD1 3.82Å; L118-F266 HydrophobicContact CD1-CG 4.29Å; V122-F266 HydrophobicContact CG2-CE1 3.75Å; V122-F266 HydrophobicContact CG2-CZ 3.83Å; P124-F266 HydrophobicContact CB-CD2 4.11Å; P124-F266 HydrophobicContact CG-CB 3.93Å; P124-F266 HydrophobicContact CG-CD2 4.03Å; P124-F266 HydrophobicContact CG-CG 3.97Å; Y127-F266 WeakPolarHBondContact OH-CD2 3.38Å; Y127-F266 PolarHBondContact OH-N 2.95Å; Y127-F266 VanDerWaalsContact OH-N 3.09Å; L148-F266 HydrophobicContact CD2-CD2 4.38Å; L148-F266 HydrophobicContact CD2-CE2 3.47Å; L148-F266 VanDerWaalsContact CD2-CE2 3.47Å; L148-F266 HydrophobicContact CD2-CZ 3.78Å; I157-F266 HydrophobicContact CG2-CZ 4.16Å; V158-F266 WeakPolarHBondContact O-CE1 3.45Å; L159-F266 HydrophobicContact CB-CD2 4.41Å; L159-F266 HydrophobicContact CB-CE2 4.21Å; L159-F266 HydrophobicContact CB-CZ 4.43Å; F266-E268 PolarHBondContact O-N 3.43Å; F266-Y271 HydrophobicContact CB-CD2 3.93Å; F266-Y271 HydrophobicContact CB-CG 3.94Å; F266-Y271 HydrophobicContact CD1-CD2 4.43Å
267	D	97.5	Very high	97.3	Very high	2 Å²	2	8 Å²	8	1%	0.011	4%	0.042	C	C	.	.			trans	-79.8	58.5	-169.5	-158.2	23.3	0	0	0	114	H160 I257 A259 R260 C265 T316	H160-D267 HydrophobicContact CB-CB 3.84Å; H160-D267 WeakPolarHBondContact ND1-CB 3.32Å; H160-D267 PolarHBondContact ND1-N 3.02Å; I257-D267 WeakPolarHBondContact CA-OD2 3.24Å; I257-D267 VanDerWaalsContact O-OD2 3.06Å; A259-D267 WeakPolarHBondContact CB-OD1 3.49Å; A259-D267 PolarHBondContact N-OD2 2.9Å; R260-D267 HydrophobicContact CB-CB 4.28Å; R260-D267 IonicContact CZ-OD2 3.96Å; R260-D267 PolarHBondContact N-OD2 3.4Å; R260-D267 IonicContact NE-OD2 3.63Å; R260-D267 PolarHBondContact NE-OD2 3.47Å; R260-D267 PolarHBondContact NH2-O 3.21Å; R260-D267 IonicContact NH2-OD2 3.7Å; C265-D267 PolarHBondContact O-N 2.92Å; D267-T316 WeakPolarHBondContact OD1-CB 3.48Å; D267-T316 PolarHBondContact OD1-OG1 2.66Å
268	E	95.9	Very high	97.5	Very high	3 Å²	3	7.9 Å²	7.9	1%	0.014	4%	0.042	C	C	.	.	S	Bend	trans	-131.3	140.6	169.2	-56.9	-170.1	-175.2	0	0	109.3	R117 L118 F266 V270 Y271 W442	R117-E268 IonicContact CZ-OE2 3.91Å; R117-E268 IonicContact NE-OE1 3.84Å; R117-E268 PolarHBondContact NE-OE1 2.9Å; R117-E268 IonicContact NE-OE2 2.79Å; R117-E268 PolarHBondContact NE-OE2 3.26Å; R117-E268 IonicContact NH2-OE2 3.92Å; R117-E268 PolarHBondContact NH2-OE2 2.68Å; L118-E268 HydrophobicContact CD1-CG 4.2Å; L118-E268 HydrophobicContact CG-CG 4.41Å; L118-E268 PolarHBondContact N-OE1 3Å; F266-E268 PolarHBondContact O-N 3.43Å; E268-V270 HydrophobicContact CB-CG1 4.32Å; E268-V270 PolarHBondContact O-N 2.99Å; E268-V270 VanDerWaalsContact O-N 3.09Å; E268-Y271 HydrophobicContact CB-CD2 3.73Å; E268-Y271 HydrophobicContact CB-CE2 4.09Å; E268-Y271 HydrophobicContact CG-CD2 4.24Å; E268-Y271 HydrophobicContact CG-CE2 4.23Å; E268-Y271 PolarHBondContact O-N 2.86Å; E268-W442 HydrophobicContact CB-CE3 4.26Å; E268-W442 HydrophobicContact CB-CH2 4.47Å; E268-W442 HydrophobicContact CB-CZ3 3.55Å; E268-W442 HydrophobicContact CG-CH2 4Å; E268-W442 HydrophobicContact CG-CZ3 3.55Å
269	P	95.4	Very high	97.7	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.006	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28	-174.3	21.9	-34.3	0	0	0	114.1	Y271 S315 Y317 T439 W442 W443 N548	P269-Y271 VanDerWaalsContact C-N 3.26Å; P269-Y271 PolarHBondContact O-N 2.97Å; P269-S315 PolarHBondContact O-OG 3.5Å; P269-Y317 HydrophobicContact CB-CE1 4.01Å; P269-T439 HydrophobicContact CB-CG2 3.97Å; P269-W442 HydrophobicContact CG-CE3 3.93Å; P269-W442 HydrophobicContact CG-CZ3 4.4Å; P269-W443 HydrophobicContact CB-CH2 4.48Å; P269-W443 HydrophobicContact CB-CZ2 4.4Å; P269-W443 HydrophobicContact CG-CD2 4.3Å; P269-W443 HydrophobicContact CG-CH2 4.44Å; P269-W443 HydrophobicContact CG-CZ2 4.03Å; P269-N548 PolarHBondContact O-ND2 3.49Å
270	V	95.8	Very high	97.7	Very high	43 Å²	43	10 Å²	10	26%	0.261	5%	0.05	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.7	177	72.2	0	0	0	0	113.3	E268 K272 V441 N548	E268-V270 HydrophobicContact CB-CG1 4.32Å; E268-V270 PolarHBondContact O-N 2.99Å; E268-V270 VanDerWaalsContact O-N 3.09Å; V270-K272 PolarHBondContact O-N 3.47Å; V270-V441 HydrophobicContact CG2-CG1 4.31Å; V270-N548 PolarHBondContact O-OD1 3.27Å
271	Y	97.1	Very high	97.7	Very high	23 Å²	23	9.9 Å²	9.9	9%	0.09	5%	0.049	C	C	.	.			trans	-86.2	50	-176.3	-66.1	-62.8	0	0	0	112.9	L118 P119 R123 F266 E268 P269 A273	L118-Y271 HydrophobicContact CB-CE2 3.93Å; L118-Y271 HydrophobicContact CD1-CD2 4.19Å; L118-Y271 HydrophobicContact CD1-CE2 3.97Å; P119-Y271 PolarHBondContact O-OH 3.06Å; R123-Y271 HydrophobicContact CG-CD1 4.31Å; F266-Y271 HydrophobicContact CB-CD2 3.93Å; F266-Y271 HydrophobicContact CB-CG 3.94Å; F266-Y271 HydrophobicContact CD1-CD2 4.43Å; E268-Y271 HydrophobicContact CB-CD2 3.73Å; E268-Y271 HydrophobicContact CB-CE2 4.09Å; E268-Y271 HydrophobicContact CG-CD2 4.24Å; E268-Y271 HydrophobicContact CG-CE2 4.23Å; E268-Y271 PolarHBondContact O-N 2.86Å; P269-Y271 VanDerWaalsContact C-N 3.26Å; P269-Y271 PolarHBondContact O-N 2.97Å; Y271-A273 PolarHBondContact O-N 3.12Å
272	K	98	Very high	97.7	Very high	1 Å²	1	11.1 Å²	11.1	0%	0.004	6%	0.057	C	C	.	.			trans	-58.9	132.9	174.5	-64	-165.6	168.2	-171	0	112.1	V270 R313 M314 S315 D436 L437 T439 S547	V270-K272 PolarHBondContact O-N 3.47Å; K272-R313 HydrophobicContact CB-CG 3.54Å; K272-R313 HydrophobicContact CD-CG 4.46Å; K272-R313 PolarHBondContact O-NE 3.23Å; K272-M314 CarbonylContact C-O 3.49Å; K272-M314 WeakPolarHBondContact CA-O 3.3Å; K272-S315 WeakPolarHBondContact CG-OG 3.47Å; K272-D436 PolarHBondContact NZ-O 2.98Å; K272-L437 PolarHBondContact NZ-O 2.93Å; K272-T439 VanDerWaalsContact CE-CB 3.47Å; K272-T439 WeakPolarHBondContact CE-OG1 3.42Å; K272-T439 PolarHBondContact NZ-OG1 2.7Å; K272-S547 VanDerWaalsContact CE-O 3.28Å; K272-S547 WeakPolarHBondContact CE-O 3.31Å; K272-S547 PolarHBondContact NZ-O 3.35Å
273	A	98.5	Very high	97.6	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.008	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-139.7	177.2	175.8	0	0	0	0	0	110.6	P124 Y127 Y271 F275 R313 M314	P124-A273 HydrophobicContact CB-CB 4.2Å; P124-A273 HydrophobicContact CG-CB 4.4Å; Y127-A273 HydrophobicContact CD2-CB 3.63Å; Y127-A273 HydrophobicContact CE2-CB 3.48Å; Y127-A273 VanDerWaalsContact CE2-CB 3.48Å; Y271-A273 PolarHBondContact O-N 3.12Å; A273-F275 HydrophobicContact CB-CE2 4.5Å; A273-F275 WeakPolarHBondContact O-CE2 3.33Å; A273-R313 CarbonylContact O-C 3.6Å; A273-R313 WeakPolarHBondContact O-CA 3.45Å; A273-M314 PolarHBondContact N-O 2.95Å; A273-M314 PolarHBondContact O-N 3.36Å; A273-M314 VanDerWaalsContact O-O 3.08Å
274	T	98.8	Very high	97.4	Very high	21 Å²	21	19.7 Å²	19.7	13%	0.129	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	149.7	171.5	53.5	0	0	0	0	110.2	R125 H126 Y127 R310 T311 R313	R125-T274 PolarHBondContact O-N 3.04Å; R125-T274 PolarHBondContact O-OG1 3.15Å; H126-T274 CarbonylContact C-O 3.5Å; H126-T274 VanDerWaalsContact CA-O 3.31Å; H126-T274 WeakPolarHBondContact CA-O 3.31Å; H126-T274 PolarHBondContact ND1-O 3.1Å; H126-T274 PolarHBondContact ND1-OG1 3.32Å; Y127-T274 PolarHBondContact N-O 3.01Å; T274-R310 PolarHBondContact OG1-NE 3.48Å; T274-R310 PolarHBondContact OG1-NH2 3.19Å; T274-T311 WeakPolarHBondContact CG2-O 3.25Å; T274-R313 HydrophobicContact CG2-CB 4.37Å
275	F	98.8	Very high	97.3	Very high	3 Å²	3	21 Å²	21	1%	0.013	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.2	-176.7	-59.6	-96.8	0	0	0	110.7	Y127 F263 A273 R310 T311 M314 T316 L319	Y127-F275 HydrophobicContact CD1-CE1 4.31Å; Y127-F275 AromaticContact CD2-CD1 3.79Å; Y127-F275 HydrophobicContact CD2-CD1 3.79Å; Y127-F275 AromaticContact CD2-CE1 3.29Å; Y127-F275 HydrophobicContact CD2-CE1 3.29Å; Y127-F275 AromaticContact CD2-CZ 3.71Å; Y127-F275 HydrophobicContact CD2-CZ 3.71Å; Y127-F275 AromaticContact CE2-CE1 3.8Å; Y127-F275 HydrophobicContact CE2-CE1 3.8Å; Y127-F275 AromaticContact CE2-CZ 3.9Å; Y127-F275 HydrophobicContact CE2-CZ 3.9Å; Y127-F275 AromaticContact CG-CD1 3.83Å; Y127-F275 HydrophobicContact CG-CD1 3.83Å; Y127-F275 AromaticContact CG-CE1 3.59Å; Y127-F275 HydrophobicContact CG-CE1 3.59Å; Y127-F275 HydrophobicContact CG-CZ 4.45Å; Y127-F275 CarbonylContact O-C 3.59Å; Y127-F275 WeakPolarHBondContact O-CA 3.36Å; F263-F275 HydrophobicContact CE2-CE1 4.38Å; F263-F275 HydrophobicContact CZ-CE1 4.26Å; A273-F275 HydrophobicContact CB-CE2 4.5Å; A273-F275 WeakPolarHBondContact O-CE2 3.33Å; F275-R310 WeakPolarHBondContact O-CA 3.31Å; F275-T311 HydrophobicContact CB-CG2 3.97Å; F275-T311 PolarHBondContact N-OG1 3.32Å; F275-T311 PolarHBondContact O-N 2.96Å; F275-M314 HydrophobicContact CD2-CE 3.8Å; F275-M314 HydrophobicContact CD2-CG 3.88Å; F275-M314 HydrophobicContact CE2-CE 4.22Å; F275-M314 HydrophobicContact CE2-CG 3.82Å; F275-M314 HydrophobicContact CG-CE 4.44Å; F275-T316 HydrophobicContact CZ-CG2 4.09Å; F275-L319 HydrophobicContact CB-CD1 3.89Å; F275-L319 HydrophobicContact CD1-CD1 4.18Å; F275-L319 HydrophobicContact CD1-CD2 3.74Å; F275-L319 HydrophobicContact CE1-CD2 4.06Å; F275-L319 HydrophobicContact CG-CD1 3.96Å; F275-L319 HydrophobicContact CG-CD2 4.35Å
276	S	98.6	Very high	97.2	Very high	11 Å²	11	23.8 Å²	23.8	8%	0.077	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.7	164.6	-75.8	0	0	0	0	107.6	H126 Y127 L129	H126-S276 PolarHBondContact CE1-OG 2.94Å; Y127-S276 PolarHBondContact O-N 3.42Å; L129-S276 PolarHBondContact N-O 2.96Å
277	L	98.7	Very high	97.2	Very high	6 Å²	6	24 Å²	24	3%	0.031	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.4	-176.4	-178.9	65.8	0	0	0	110.1	L129 L131 L279 S289 F308 W321	L129-L277 HydrophobicContact CB-CD1 4.01Å; L129-L277 HydrophobicContact CD2-CD1 3.84Å; L129-L277 HydrophobicContact CG-CD1 3.89Å; L129-L277 CarbonylContact O-C 3.5Å; L129-L277 WeakPolarHBondContact O-CA 3.44Å; L131-L277 HydrophobicContact CD1-CD1 4.19Å; L131-L277 HydrophobicContact CG-CD1 4.38Å; L277-L279 HydrophobicContact CD1-CD2 3.84Å; L277-L279 HydrophobicContact CD1-CG 4.25Å; L277-L279 HydrophobicContact CD2-CD1 3.84Å; L277-L279 HydrophobicContact CD2-CD2 4.02Å; L277-L279 HydrophobicContact CD2-CG 3.8Å; L277-L279 HydrophobicContact CG-CD1 4.46Å; L277-L279 HydrophobicContact CG-CD2 4.02Å; L277-L279 HydrophobicContact CG-CG 3.87Å; L277-S289 VanDerWaalsContact CD2-OG 3.25Å; L277-S289 WeakPolarHBondContact CD2-OG 3.4Å; L277-F308 HydrophobicContact CB-CD2 4.19Å; L277-F308 HydrophobicContact CD2-CD2 4.16Å; L277-F308 HydrophobicContact CD2-CE2 4.38Å; L277-F308 HydrophobicContact CG-CD2 4.17Å; L277-F308 PolarHBondContact O-N 2.9Å; L277-W321 HydrophobicContact CD2-CB 3.89Å; L277-W321 HydrophobicContact CD2-CD2 4.36Å; L277-W321 HydrophobicContact CD2-CE3 4.09Å; L277-W321 HydrophobicContact CD2-CG 4.32Å
278	S	98.7	Very high	97.2	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.063	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124	165.3	-51	0	0	0	0	108.9	L129 R130 L131 N306	L129-S278 PolarHBondContact O-N 3.16Å; R130-S278 WeakPolarHBondContact CA-O 3.13Å; L131-S278 PolarHBondContact N-O 3.23Å; S278-N306 CarbonylContact C-O 3.43Å; S278-N306 WeakPolarHBondContact CA-O 3.45Å
279	L	98.4	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.8	178.2	-66.2	179.6	0	0	0	109.8	L131 L277 T305 N306 F308 W321	L131-L279 HydrophobicContact CB-CD2 3.8Å; L131-L279 HydrophobicContact CD1-CD2 3.83Å; L131-L279 HydrophobicContact CG-CD2 4.17Å; L277-L279 HydrophobicContact CD1-CD2 3.84Å; L277-L279 HydrophobicContact CD1-CG 4.25Å; L277-L279 HydrophobicContact CD2-CD1 3.84Å; L277-L279 HydrophobicContact CD2-CD2 4.02Å; L277-L279 HydrophobicContact CD2-CG 3.8Å; L277-L279 HydrophobicContact CG-CD1 4.46Å; L277-L279 HydrophobicContact CG-CD2 4.02Å; L277-L279 HydrophobicContact CG-CG 3.87Å; L279-T305 WeakPolarHBondContact O-CA 3.28Å; L279-N306 PolarHBondContact N-O 3.48Å; L279-N306 PolarHBondContact O-N 3.39Å; L279-F308 HydrophobicContact CB-CE2 4.25Å; L279-F308 HydrophobicContact CD1-CE2 3.75Å; L279-F308 HydrophobicContact CD1-CZ 4.28Å; L279-F308 HydrophobicContact CG-CE2 3.97Å; L279-W321 HydrophobicContact CD1-CB 3.68Å; L279-W321 HydrophobicContact CD1-CG 4.14Å; L279-W321 HydrophobicContact CD2-CG 4.38Å
280	R	98.2	Very high	97.5	Very high	61 Å²	61	24.3 Å²	24.3	23%	0.23	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.4	170.7	-177.6	-179.8	-169	-138.3	-1.5	109.4	L131 A132 V133 D299 D301 W303 V304 T305	L131-R280 PolarHBondContact O-N 3.43Å; A132-R280 WeakPolarHBondContact CA-O 3.39Å; A132-R280 HydrophobicContact CB-CB 4.11Å; A132-R280 HydrophobicContact CB-CG 4.42Å; V133-R280 PolarHBondContact N-O 3.01Å; R280-D299 WeakPolarHBondContact CD-OD2 3.37Å; R280-D299 IonicContact CZ-OD2 3.98Å; R280-D299 IonicContact NE-OD2 2.75Å; R280-D299 PolarHBondContact NE-OD2 3.37Å; R280-D299 IonicContact NH2-OD2 2.87Å; R280-D301 IonicContact CZ-OD1 2.73Å; R280-D301 IonicContact CZ-OD2 3.03Å; R280-D301 IonicContact NH2-OD1 2.58Å; R280-D301 PolarHBondContact NH2-OD1 3.37Å; R280-D301 IonicContact NH2-OD2 4Å; R280-D301 PolarHBondContact NH2-OD2 3.01Å; R280-W303 HydrophobicContact CG-CB 4.25Å; R280-W303 HydrophobicContact CG-CE3 4.02Å; R280-V304 WeakPolarHBondContact CA-O 3.47Å; R280-T305 WeakPolarHBondContact CB-OG1 3.32Å; R280-T305 WeakPolarHBondContact CG-OG1 3.4Å
281	H	97.4	Very high	97.7	Very high	5 Å²	5	23.2 Å²	23.2	2%	0.023	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	164.6	-176.6	65.7	85.4	0	0	0	111.6	Y285 S287 V304 N306 V323	H281-Y285 PolarHBondContact CE1-O 2.99Å; H281-Y285 PolarHBondContact ND1-O 3.2Å; H281-S287 PolarHBondContact NE2-OG 2.97Å; H281-V304 PolarHBondContact N-O 2.99Å; H281-V304 PolarHBondContact O-N 3.37Å; H281-N306 PolarHBondContact NE2-ND2 3.49Å; H281-V323 HydrophobicContact CB-CG1 4.08Å
282	D	96.3	Very high	97.7	Very high	43 Å²	43	24.2 Å²	24.2	23%	0.23	13%	0.131	C	C	.	.			trans	-64.9	137	173.6	178.9	-53.6	0	0	0	110.2	Q284 Y285	D282-Q284 HydrophobicContact CB-CG 4.46Å; D282-Q284 VanDerWaalsContact CG-NE2 3.25Å; D282-Q284 PolarHBondContact O-N 3.47Å; D282-Q284 WeakPolarHBondContact OD1-CB 3.23Å; D282-Q284 WeakPolarHBondContact OD1-CG 3.4Å; D282-Q284 PolarHBondContact OD1-N 3.38Å; D282-Q284 PolarHBondContact OD1-NE2 2.92Å; D282-Q284 PolarHBondContact OD2-NE2 3.34Å; D282-Q284 VanDerWaalsContact OD2-NE2 3.1Å; D282-Y285 HydrophobicContact CB-CD2 4Å; D282-Y285 HydrophobicContact CB-CE2 4.39Å; D282-Y285 PolarHBondContact O-N 3.18Å
283	P	95.3	Very high	97.7	Very high	75 Å²	75	27.6 Å²	27.6	49%	0.487	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.9	-177.3	-22.1	30.2	0	0	0	115.8	Y285 G302 V304	P283-Y285 PolarHBondContact O-N 2.71Å; P283-G302 WeakPolarHBondContact CG-O 3.04Å; P283-V304 HydrophobicContact CB-CG2 4.26Å; P283-V304 HydrophobicContact CG-CG2 4.08Å
284	Q	93.9	Very high	97.6	Very high	105 Å²	105	33 Å²	33	49%	0.491	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.6	176.5	78.2	-170.7	-64.6	0	0	112.9	D282 N325	D282-Q284 HydrophobicContact CB-CG 4.46Å; D282-Q284 VanDerWaalsContact CG-NE2 3.25Å; D282-Q284 PolarHBondContact O-N 3.47Å; D282-Q284 WeakPolarHBondContact OD1-CB 3.23Å; D282-Q284 WeakPolarHBondContact OD1-CG 3.4Å; D282-Q284 PolarHBondContact OD1-N 3.38Å; D282-Q284 PolarHBondContact OD1-NE2 2.92Å; D282-Q284 PolarHBondContact OD2-NE2 3.34Å; D282-Q284 VanDerWaalsContact OD2-NE2 3.1Å; Q284-N325 PolarHBondContact O-ND2 3.31Å
285	Y	96.1	Very high	97.6	Very high	27 Å²	27	34 Å²	34	11%	0.106	19%	0.188	C	C	.	.	S	Bend	trans	-97.1	157.4	177.4	-63.8	-90.8	0	0	0	111.1	M135 H281 D282 P283 V323 N325	M135-Y285 HydrophobicContact CB-CE2 3.95Å; M135-Y285 HydrophobicContact CE-CE1 4.07Å; M135-Y285 HydrophobicContact CG-CD2 4.35Å; M135-Y285 HydrophobicContact CG-CE1 4.09Å; M135-Y285 HydrophobicContact CG-CE2 3.87Å; H281-Y285 PolarHBondContact CE1-O 2.99Å; H281-Y285 PolarHBondContact ND1-O 3.2Å; D282-Y285 HydrophobicContact CB-CD2 4Å; D282-Y285 HydrophobicContact CB-CE2 4.39Å; D282-Y285 PolarHBondContact O-N 3.18Å; P283-Y285 PolarHBondContact O-N 2.71Å; Y285-V323 HydrophobicContact CD1-CG1 3.94Å; Y285-V323 HydrophobicContact CG-CG1 3.76Å; Y285-N325 WeakPolarHBondContact CD1-OD1 3.26Å; Y285-N325 WeakPolarHBondContact CE1-OD1 3.41Å
286	T	96.1	Very high	97.5	Very high	60 Å²	60	37.3 Å²	37.3	37%	0.368	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	141	163.4	-57.6	0	0	0	0	109	L288 V323 C324	T286-L288 HydrophobicContact CG2-CD2 4.02Å; T286-V323 WeakPolarHBondContact O-CA 3.26Å; T286-C324 PolarHBondContact N-O 3.41Å; T286-C324 PolarHBondContact O-N 3.01Å
287	S	97.8	Very high	97.4	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.028	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.2	169.8	66.9	0	0	0	0	112.1	H281 N306 A322	H281-S287 PolarHBondContact NE2-OG 2.97Å; S287-N306 WeakPolarHBondContact OG-CB 3.41Å; S287-N306 PolarHBondContact OG-ND2 2.97Å; S287-A322 CarbonylContact C-O 3.55Å; S287-A322 VanDerWaalsContact CA-O 3.32Å; S287-A322 WeakPolarHBondContact CA-O 3.2Å
288	L	98.6	Very high	97.2	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.037	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151.7	176.7	-53.8	176.5	0	0	0	110.2	T286 W321 A322 Y342 L383 L398	T286-L288 HydrophobicContact CG2-CD2 4.02Å; L288-W321 CarbonylContact O-C 3.54Å; L288-W321 WeakPolarHBondContact O-CA 3.39Å; L288-W321 VanDerWaalsContact O-CB 3.27Å; L288-W321 WeakPolarHBondContact O-CB 3.06Å; L288-A322 HydrophobicContact CB-CB 4.45Å; L288-A322 PolarHBondContact N-O 3.39Å; L288-A322 PolarHBondContact O-N 3.26Å; L288-Y342 HydrophobicContact CD1-CD1 3.78Å; L288-Y342 HydrophobicContact CD1-CD2 4.06Å; L288-Y342 HydrophobicContact CD1-CE1 4.11Å; L288-Y342 HydrophobicContact CD1-CE2 4.36Å; L288-Y342 HydrophobicContact CD1-CG 3.76Å; L288-Y342 HydrophobicContact CD2-CD1 4.16Å; L288-Y342 HydrophobicContact CD2-CE1 3.6Å; L288-Y342 HydrophobicContact CD2-CE2 4.09Å; L288-Y342 HydrophobicContact CG-CE1 4.48Å; L288-L383 HydrophobicContact CD1-CD1 4.01Å; L288-L398 HydrophobicContact CB-CD1 4.17Å; L288-L398 HydrophobicContact CB-CD2 3.96Å; L288-L398 HydrophobicContact CD1-CD1 4.35Å
289	S	98.6	Very high	96.9	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.028	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	-177.5	171.2	-170.2	0	0	0	0	111.1	L277 M291 A320 K379	L277-S289 VanDerWaalsContact CD2-OG 3.25Å; L277-S289 WeakPolarHBondContact CD2-OG 3.4Å; S289-M291 VanDerWaalsContact C-N 3.27Å; S289-M291 PolarHBondContact O-N 3.34Å; S289-A320 VanDerWaalsContact CA-O 3.26Å; S289-A320 WeakPolarHBondContact CA-O 3.48Å; S289-A320 WeakPolarHBondContact CB-O 3.3Å; S289-A320 PolarHBondContact OG-O 2.93Å; S289-K379 PolarHBondContact O-NZ 3.21Å
290	N	98.7	Very high	96.6	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.311	C	S	.	.	S	Bend	trans	-54.1	-38.6	-178.6	-61.3	91.1	0	0	0	113.8	T311 Y318 A320 K379 W396	N290-T311 HydrophobicContact CB-CG2 4.29Å; N290-Y318 PolarHBondContact ND2-O 2.85Å; N290-A320 PolarHBondContact OD1-N 2.81Å; N290-A320 PolarHBondContact OD1-O 2.92Å; N290-K379 WeakPolarHBondContact O-CE 3.47Å; N290-K379 PolarHBondContact O-NZ 3.21Å; N290-W396 WeakPolarHBondContact CA-O 3.32Å; N290-W396 WeakPolarHBondContact CB-O 3.32Å; N290-W396 PolarHBondContact ND2-O 2.84Å
291	M	98.6	Very high	96.3	Very high	20 Å²	20	59.4 Å²	59.4	10%	0.099	32%	0.324	C	S	.	.	S	Bend	trans	-108.4	162.7	-174.2	-66.7	-58.9	-73.4	0	0	111.3	S289 F308 A309 T311 L377 P378	S289-M291 VanDerWaalsContact C-N 3.27Å; S289-M291 PolarHBondContact O-N 3.34Å; M291-F308 WeakPolarHBondContact O-CD1 3.45Å; M291-A309 HydrophobicContact CB-CB 4.15Å; M291-A309 WeakPolarHBondContact CB-O 3.25Å; M291-A309 HydrophobicContact CE-CB 4.36Å; M291-A309 VanDerWaalsContact CG-O 3.29Å; M291-A309 WeakPolarHBondContact CG-O 3.35Å; M291-T311 HydrophobicContact CG-CG2 3.77Å; M291-L377 HydrophobicContact CE-CD2 4.5Å; M291-L377 HydrophobicContact SD-CD1 4.36Å; M291-L377 HydrophobicContact SD-CD2 3.79Å; M291-P378 HydrophobicContact CE-CG 4.41Å
292	P	98.3	Very high	96	Very high	45 Å²	45	61.4 Å²	61.4	29%	0.292	35%	0.346	S	S	.	.			trans	-64.4	155	171.3	27	-35.5	0	0	0	111.9	D294 F308 A309 P378	P292-D294 PolarHBondContact O-N 3.48Å; P292-F308 WeakPolarHBondContact O-CA 3.23Å; P292-A309 HydrophobicContact CG-CB 4.39Å; P292-A309 PolarHBondContact O-N 3.25Å; P292-P378 HydrophobicContact CG-CG 3.85Å
293	V	98.1	Very high	96	Very high	71 Å²	71	61.7 Å²	61.7	43%	0.43	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	123.9	169.7	179.6	0	0	0	0	108.6	S295 N306 F308	V293-S295 WeakPolarHBondContact CG1-O 3.37Å; V293-N306 HydrophobicContact CG1-CB 4.4Å; V293-F308 HydrophobicContact CG2-CD1 3.92Å; V293-F308 HydrophobicContact CG2-CE1 3.56Å; V293-F308 HydrophobicContact CG2-CZ 4.18Å
294	D	96.8	Very high	96.1	Very high	114 Å²	114	59.6 Å²	59.6	61%	0.61	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	-40.8	178.5	-177.3	52.6	0	0	0	110.9	P292 R307 A309	P292-D294 PolarHBondContact O-N 3.48Å; D294-R307 PolarHBondContact N-O 2.95Å; D294-A309 HydrophobicContact CB-CB 4.26Å
295	S	97.3	Very high	96.3	Very high	44 Å²	44	55.2 Å²	55.2	31%	0.308	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	149.2	175.8	40.4	0	0	0	0	111.5	V293 R307	V293-S295 WeakPolarHBondContact CG1-O 3.37Å; S295-R307 PolarHBondContact N-O 2.9Å; S295-R307 VanDerWaalsContact N-O 3.16Å; S295-R307 PolarHBondContact O-N 3.08Å
296	S	97	Very high	96.5	Very high	72 Å²	72	54.7 Å²	54.7	50%	0.503	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.5	178.3	-178.8	0	0	0	0	108.5	T305 N306	S296-T305 WeakPolarHBondContact CA-O 3.32Å; S296-N306 WeakPolarHBondContact CB-OD1 3.05Å; S296-N306 PolarHBondContact OG-OD1 2.98Å
297	W	96.7	Very high	96.6	Very high	100 Å²	100	56.5 Å²	56.5	38%	0.379	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.6	177.3	58.8	89.2	0	0	0	111.6	D299 T305 R307	W297-D299 PolarHBondContact NE1-OD1 3.34Å; W297-T305 HydrophobicContact CH2-CG2 3.95Å; W297-T305 HydrophobicContact CZ2-CG2 3.36Å; W297-T305 PolarHBondContact N-O 3.22Å; W297-T305 VanDerWaalsContact N-O 3.08Å; W297-T305 PolarHBondContact O-N 2.97Å; W297-R307 HydrophobicContact CH2-CB 3.73Å; W297-R307 HydrophobicContact CZ3-CB 3.68Å
298	P	95.3	Very high	96.6	Very high	105 Å²	105	56.7 Å²	56.7	68%	0.682	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	140.6	168.1	32	-32.8	0	0	0	110.2	W303	P298-W303 CarbonylContact C-O 3.58Å; P298-W303 WeakPolarHBondContact CA-O 3.17Å
299	D	92.4	Very high	96.6	Very high	36 Å²	36	57.6 Å²	57.6	19%	0.193	32%	0.318	C	S	.	.			trans	-88.1	162.3	172.1	-62.8	-28.5	0	0	0	110.5	R280 W297 D301 G302 W303 T305	R280-D299 WeakPolarHBondContact CD-OD2 3.37Å; R280-D299 IonicContact CZ-OD2 3.98Å; R280-D299 IonicContact NE-OD2 2.75Å; R280-D299 PolarHBondContact NE-OD2 3.37Å; R280-D299 IonicContact NH2-OD2 2.87Å; W297-D299 PolarHBondContact NE1-OD1 3.34Å; D299-D301 WeakPolarHBondContact CB-OD1 3.28Å; D299-D301 PolarHBondContact O-N 2.89Å; D299-D301 VanDerWaalsContact O-N 3.13Å; D299-G302 PolarHBondContact O-N 3.42Å; D299-W303 HydrophobicContact CB-CB 4.36Å; D299-W303 PolarHBondContact N-O 3Å; D299-T305 PolarHBondContact OD1-OG1 2.94Å; D299-T305 PolarHBondContact OD2-OG1 3.36Å
300	E	90.3	Very high	96.6	Very high	215 Å²	215	63.9 Å²	63.9	100%	1.005	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.7	-176.6	-66.8	-174.1	168.3	0	0	113.8
301	D	92.1	Very high	96.6	Very high	95 Å²	95	64.3 Å²	64.3	51%	0.508	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	10.5	179.1	64.6	-7.3	0	0	0	113.8	R280 D299 W303	R280-D301 IonicContact CZ-OD1 2.73Å; R280-D301 IonicContact CZ-OD2 3.03Å; R280-D301 IonicContact NH2-OD1 2.58Å; R280-D301 PolarHBondContact NH2-OD1 3.37Å; R280-D301 IonicContact NH2-OD2 4Å; R280-D301 PolarHBondContact NH2-OD2 3.01Å; D299-D301 WeakPolarHBondContact CB-OD1 3.28Å; D299-D301 PolarHBondContact O-N 2.89Å; D299-D301 VanDerWaalsContact O-N 3.13Å; D301-W303 PolarHBondContact OD1-N 3.29Å
302	G	92.4	Very high	96.6	Very high	47 Å²	47	64.7 Å²	64.7	49%	0.485	35%	0.348	S	S	.	.	S	Bend	trans	86.6	-0.2	174.9	0	0	0	0	0	115	P283 D299	P283-G302 WeakPolarHBondContact CG-O 3.04Å; D299-G302 PolarHBondContact O-N 3.42Å
303	W	96.5	Very high	96.6	Very high	49 Å²	49	65.8 Å²	65.8	19%	0.186	35%	0.346	C	S	.	.			trans	-72.3	162	170.9	-74.4	63.6	0	0	0	111.3	V133 Y134 R280 P298 D299 D301	V133-W303 VanDerWaalsContact O-CZ3 3.25Å; V133-W303 WeakPolarHBondContact O-CZ3 3.36Å; Y134-W303 AromaticContact CD1-CH2 3.52Å; Y134-W303 HydrophobicContact CD1-CH2 3.52Å; Y134-W303 HydrophobicContact CD1-CZ2 4.01Å; Y134-W303 HydrophobicContact CD1-CZ3 4.26Å; Y134-W303 AromaticContact CE1-CH2 3.91Å; Y134-W303 HydrophobicContact CE1-CH2 3.91Å; Y134-W303 HydrophobicContact CE1-CZ2 4.22Å; Y134-W303 HydrophobicContact CE1-CZ3 4.39Å; Y134-W303 HydrophobicContact CG-CH2 4.48Å; R280-W303 HydrophobicContact CG-CB 4.25Å; R280-W303 HydrophobicContact CG-CE3 4.02Å; P298-W303 CarbonylContact C-O 3.58Å; P298-W303 WeakPolarHBondContact CA-O 3.17Å; D299-W303 HydrophobicContact CB-CB 4.36Å; D299-W303 PolarHBondContact N-O 3Å; D301-W303 PolarHBondContact OD1-N 3.29Å
304	V	97.7	Very high	96.6	Very high	30 Å²	30	62.4 Å²	62.4	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.9	174.3	173.2	0	0	0	0	109.3	R280 H281 P283	R280-V304 WeakPolarHBondContact CA-O 3.47Å; H281-V304 PolarHBondContact N-O 2.99Å; H281-V304 PolarHBondContact O-N 3.37Å; P283-V304 HydrophobicContact CB-CG2 4.26Å; P283-V304 HydrophobicContact CG-CG2 4.08Å
305	T	98.1	Very high	96.7	Very high	13 Å²	13	57 Å²	57	8%	0.08	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.2	171.6	-63.1	0	0	0	0	110	L279 R280 S296 W297 D299	L279-T305 WeakPolarHBondContact O-CA 3.28Å; R280-T305 WeakPolarHBondContact CB-OG1 3.32Å; R280-T305 WeakPolarHBondContact CG-OG1 3.4Å; S296-T305 WeakPolarHBondContact CA-O 3.32Å; W297-T305 HydrophobicContact CH2-CG2 3.95Å; W297-T305 HydrophobicContact CZ2-CG2 3.36Å; W297-T305 PolarHBondContact N-O 3.22Å; W297-T305 VanDerWaalsContact N-O 3.08Å; W297-T305 PolarHBondContact O-N 2.97Å; D299-T305 PolarHBondContact OD1-OG1 2.94Å; D299-T305 PolarHBondContact OD2-OG1 3.36Å
306	N	98.4	Very high	96.7	Very high	17 Å²	17	55 Å²	55	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124	173.7	-71	-34	0	0	0	110.1	S278 L279 H281 S287 V293 S296 F308	S278-N306 CarbonylContact C-O 3.43Å; S278-N306 WeakPolarHBondContact CA-O 3.45Å; L279-N306 PolarHBondContact N-O 3.48Å; L279-N306 PolarHBondContact O-N 3.39Å; H281-N306 PolarHBondContact NE2-ND2 3.49Å; S287-N306 WeakPolarHBondContact OG-CB 3.41Å; S287-N306 PolarHBondContact OG-ND2 2.97Å; V293-N306 HydrophobicContact CG1-CB 4.4Å; S296-N306 WeakPolarHBondContact CB-OD1 3.05Å; S296-N306 PolarHBondContact OG-OD1 2.98Å; N306-F308 HydrophobicContact CB-CE2 4.34Å
307	R	98.5	Very high	96.7	Very high	98 Å²	98	51.6 Å²	51.6	37%	0.37	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.9	172.8	-177	175.2	-174.9	170.2	4.8	110	D294 S295 W297	D294-R307 PolarHBondContact N-O 2.95Å; S295-R307 PolarHBondContact N-O 2.9Å; S295-R307 VanDerWaalsContact N-O 3.16Å; S295-R307 PolarHBondContact O-N 3.08Å; W297-R307 HydrophobicContact CH2-CB 3.73Å; W297-R307 HydrophobicContact CZ3-CB 3.68Å
308	F	98.7	Very high	96.8	Very high	7 Å²	7	46.8 Å²	46.8	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	150.2	178.9	-61.8	-88.9	0	0	0	111.3	L277 L279 M291 P292 V293 N306	L277-F308 HydrophobicContact CB-CD2 4.19Å; L277-F308 HydrophobicContact CD2-CD2 4.16Å; L277-F308 HydrophobicContact CD2-CE2 4.38Å; L277-F308 HydrophobicContact CG-CD2 4.17Å; L277-F308 PolarHBondContact O-N 2.9Å; L279-F308 HydrophobicContact CB-CE2 4.25Å; L279-F308 HydrophobicContact CD1-CE2 3.75Å; L279-F308 HydrophobicContact CD1-CZ 4.28Å; L279-F308 HydrophobicContact CG-CE2 3.97Å; M291-F308 WeakPolarHBondContact O-CD1 3.45Å; P292-F308 WeakPolarHBondContact O-CA 3.23Å; V293-F308 HydrophobicContact CG2-CD1 3.92Å; V293-F308 HydrophobicContact CG2-CE1 3.56Å; V293-F308 HydrophobicContact CG2-CZ 4.18Å; N306-F308 HydrophobicContact CB-CE2 4.34Å
309	A	98.6	Very high	96.9	Very high	26 Å²	26	41.9 Å²	41.9	22%	0.215	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-60.5	153.7	174.7	0	0	0	0	0	111.2	M291 P292 D294 T311	M291-A309 HydrophobicContact CB-CB 4.15Å; M291-A309 WeakPolarHBondContact CB-O 3.25Å; M291-A309 HydrophobicContact CE-CB 4.36Å; M291-A309 VanDerWaalsContact CG-O 3.29Å; M291-A309 WeakPolarHBondContact CG-O 3.35Å; P292-A309 HydrophobicContact CG-CB 4.39Å; P292-A309 PolarHBondContact O-N 3.25Å; D294-A309 HydrophobicContact CB-CB 4.26Å; A309-T311 PolarHBondContact O-N 3.22Å
310	R	98.6	Very high	97.2	Very high	136 Å²	136	40.2 Å²	40.2	51%	0.513	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-66	130	-179.1	-175.8	177.7	-178.8	171.3	2.8	110.9	T274 F275	T274-R310 PolarHBondContact OG1-NE 3.48Å; T274-R310 PolarHBondContact OG1-NH2 3.19Å; F275-R310 WeakPolarHBondContact O-CA 3.31Å
311	T	98.7	Very high	97.6	Very high	10 Å²	10	30 Å²	30	6%	0.061	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-67.3	157.3	176	72.6	0	0	0	0	111.3	T274 F275 N290 M291 A309 M314	T274-T311 WeakPolarHBondContact CG2-O 3.25Å; F275-T311 HydrophobicContact CB-CG2 3.97Å; F275-T311 PolarHBondContact N-OG1 3.32Å; F275-T311 PolarHBondContact O-N 2.96Å; N290-T311 HydrophobicContact CB-CG2 4.29Å; M291-T311 HydrophobicContact CG-CG2 3.77Å; A309-T311 PolarHBondContact O-N 3.22Å; T311-M314 HydrophobicContact CG2-CE 3.94Å; T311-M314 HydrophobicContact CG2-SD 4.04Å
312	P	98.2	Very high	97.9	Very high	29 Å²	29	25.4 Å²	25.4	19%	0.188	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-58.2	173.6	155.8	-21.4	34.4	0	0	0	111.8	M314 L377 W396 Y546	P312-M314 PolarHBondContact O-N 3.24Å; P312-L377 HydrophobicContact CG-CD2 3.44Å; P312-L377 VanDerWaalsContact CG-CD2 3.44Å; P312-W396 HydrophobicContact CB-CH2 4.47Å; P312-W396 HydrophobicContact CB-CZ3 4.41Å; P312-Y546 HydrophobicContact CB-CD1 4.01Å; P312-Y546 HydrophobicContact CB-CE1 3.89Å; P312-Y546 HydrophobicContact CG-CE1 4.48Å
313	R	98.1	Very high	98.1	Very high	67 Å²	67	23.2 Å²	23.2	25%	0.253	11%	0.105	S	C	.	.	S	Bend	trans	-69.6	115.6	175.4	178.7	171.1	169.5	-122.5	-24	109.5	K272 A273 T274	K272-R313 HydrophobicContact CB-CG 3.54Å; K272-R313 HydrophobicContact CD-CG 4.46Å; K272-R313 PolarHBondContact O-NE 3.23Å; A273-R313 CarbonylContact O-C 3.6Å; A273-R313 WeakPolarHBondContact O-CA 3.45Å; T274-R313 HydrophobicContact CG2-CB 4.37Å
314	M	98.3	Very high	98.1	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-143.5	165.2	-176	72.1	-173.8	-153.5	0	0	111.7	K272 A273 F275 T311 P312 L319 W396	K272-M314 CarbonylContact C-O 3.49Å; K272-M314 WeakPolarHBondContact CA-O 3.3Å; A273-M314 PolarHBondContact N-O 2.95Å; A273-M314 PolarHBondContact O-N 3.36Å; A273-M314 VanDerWaalsContact O-O 3.08Å; F275-M314 HydrophobicContact CD2-CE 3.8Å; F275-M314 HydrophobicContact CD2-CG 3.88Å; F275-M314 HydrophobicContact CE2-CE 4.22Å; F275-M314 HydrophobicContact CE2-CG 3.82Å; F275-M314 HydrophobicContact CG-CE 4.44Å; T311-M314 HydrophobicContact CG2-CE 3.94Å; T311-M314 HydrophobicContact CG2-SD 4.04Å; P312-M314 PolarHBondContact O-N 3.24Å; M314-L319 VanDerWaalsContact CE-CA 3.49Å; M314-L319 HydrophobicContact CE-CB 3.83Å; M314-L319 HydrophobicContact CE-CD1 3.67Å; M314-L319 HydrophobicContact CE-CG 4.37Å; M314-W396 HydrophobicContact CB-CE3 3.63Å; M314-W396 HydrophobicContact CB-CZ3 3.81Å; M314-W396 HydrophobicContact SD-CE3 4.23Å
315	S	98.3	Very high	98	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.096	C	C	.	.			trans	-77.5	155.8	177.6	-55.3	0	0	0	0	111.3	P269 K272 Y317 Y318	P269-S315 PolarHBondContact O-OG 3.5Å; K272-S315 WeakPolarHBondContact CG-OG 3.47Å; S315-Y317 VanDerWaalsContact C-N 3.28Å; S315-Y317 VanDerWaalsContact CB-CE1 3.49Å; S315-Y317 PolarHBondContact O-N 3.41Å; S315-Y318 PolarHBondContact O-N 2.62Å
316	T	98.2	Very high	98	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-57.8	-38.7	-179.5	46	0	0	0	0	112.9	C265 D267 F275 Y318 L319	C265-T316 HydrophobicContact CB-CG2 4.11Å; D267-T316 WeakPolarHBondContact OD1-CB 3.48Å; D267-T316 PolarHBondContact OD1-OG1 2.66Å; F275-T316 HydrophobicContact CZ-CG2 4.09Å; T316-Y318 PolarHBondContact O-N 3.46Å; T316-L319 VanDerWaalsContact O-CB 3.31Å; T316-L319 WeakPolarHBondContact O-CB 3.25Å; T316-L319 PolarHBondContact O-N 3.5Å; T316-L319 VanDerWaalsContact O-N 3.08Å
317	Y	96.9	Very high	97.9	Very high	1 Å²	1	23 Å²	23	0%	0.004	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-69.5	-13.4	-176.5	76.8	-91.9	0	0	0	114.9	P269 S315 M393 T439 W443	P269-Y317 HydrophobicContact CB-CE1 4.01Å; S315-Y317 VanDerWaalsContact C-N 3.28Å; S315-Y317 VanDerWaalsContact CB-CE1 3.49Å; S315-Y317 PolarHBondContact O-N 3.41Å; Y317-M393 HydrophobicContact CD2-CE 3.92Å; Y317-M393 HydrophobicContact CE2-CE 4.24Å; Y317-T439 HydrophobicContact CE1-CG2 3.98Å; Y317-T439 VanDerWaalsContact OH-CG2 3.29Å; Y317-T439 WeakPolarHBondContact OH-CG2 3.18Å; Y317-W443 AromaticContact CD1-CH2 3.69Å; Y317-W443 HydrophobicContact CD1-CH2 3.69Å; Y317-W443 HydrophobicContact CD1-CZ2 4.13Å; Y317-W443 HydrophobicContact CD2-CH2 4.36Å; Y317-W443 AromaticContact CE1-CH2 3.55Å; Y317-W443 HydrophobicContact CE1-CH2 3.55Å; Y317-W443 HydrophobicContact CE1-CZ2 4.31Å; Y317-W443 HydrophobicContact CE1-CZ3 4.3Å; Y317-W443 HydrophobicContact CE2-CH2 4.22Å; Y317-W443 HydrophobicContact CG-CH2 4.08Å; Y317-W443 AromaticContact CZ-CH2 3.81Å
318	Y	97.6	Very high	97.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-86.1	-16.3	173.2	-69.9	-50.6	0	0	0	113.7	N290 S315 T316 A320 M393 E394 N395 G435 D436 T439	N290-Y318 PolarHBondContact ND2-O 2.85Å; S315-Y318 PolarHBondContact O-N 2.62Å; T316-Y318 PolarHBondContact O-N 3.46Å; Y318-A320 PolarHBondContact O-N 3.26Å; Y318-M393 HydrophobicContact CD1-CE 4.21Å; Y318-M393 HydrophobicContact CE1-CE 4.27Å; Y318-E394 HydrophobicContact CD1-CG 4.21Å; Y318-E394 HydrophobicContact CE1-CG 3.54Å; Y318-N395 WeakPolarHBondContact O-CB 3.25Å; Y318-G435 WeakPolarHBondContact CE2-O 3.33Å; Y318-G435 VanDerWaalsContact CZ-C 3.5Å; Y318-G435 WeakPolarHBondContact OH-CA 3.43Å; Y318-G435 PolarHBondContact OH-O 3.15Å; Y318-G435 VanDerWaalsContact OH-O 3.08Å; Y318-D436 WeakPolarHBondContact CD1-OD1 3.29Å; Y318-D436 WeakPolarHBondContact CE1-OD1 3.36Å; Y318-D436 PolarHBondContact OH-N 3.39Å; Y318-D436 PolarHBondContact OH-OD1 3.13Å; Y318-T439 HydrophobicContact CE2-CG2 4.32Å
319	L	98.4	Very high	97.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	13%	0.131	C	C	.	.			trans	-62.4	134.2	176.7	-171.2	67.2	0	0	0	108.8	L129 F254 F263 F275 M314 T316 W321	L129-L319 HydrophobicContact CD2-CD2 4.29Å; F254-L319 HydrophobicContact CD2-CB 4.21Å; F254-L319 WeakPolarHBondContact CD2-O 3.3Å; F254-L319 HydrophobicContact CE2-CB 4.13Å; F254-L319 HydrophobicContact CE2-CG 4.41Å; F254-L319 VanDerWaalsContact CE2-O 3.23Å; F254-L319 WeakPolarHBondContact CE2-O 3.43Å; F263-L319 HydrophobicContact CE1-CD2 3.69Å; F263-L319 HydrophobicContact CZ-CD2 3.59Å; F275-L319 HydrophobicContact CB-CD1 3.89Å; F275-L319 HydrophobicContact CD1-CD1 4.18Å; F275-L319 HydrophobicContact CD1-CD2 3.74Å; F275-L319 HydrophobicContact CE1-CD2 4.06Å; F275-L319 HydrophobicContact CG-CD1 3.96Å; F275-L319 HydrophobicContact CG-CD2 4.35Å; M314-L319 VanDerWaalsContact CE-CA 3.49Å; M314-L319 HydrophobicContact CE-CB 3.83Å; M314-L319 HydrophobicContact CE-CD1 3.67Å; M314-L319 HydrophobicContact CE-CG 4.37Å; T316-L319 VanDerWaalsContact O-CB 3.31Å; T316-L319 WeakPolarHBondContact O-CB 3.25Å; T316-L319 PolarHBondContact O-N 3.5Å; T316-L319 VanDerWaalsContact O-N 3.08Å; L319-W321 HydrophobicContact CD2-CE3 4.44Å; L319-W321 HydrophobicContact CD2-CZ3 3.71Å; L319-W321 HydrophobicContact CG-CE3 4.21Å; L319-W321 HydrophobicContact CG-CZ3 3.9Å
320	A	98.3	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	14%	0.144	C	C	.	.			trans	-145.2	148.1	179.3	0	0	0	0	0	111.3	T252 S289 N290 Y318 N395 L398	T252-A320 VanDerWaalsContact OG1-CA 3.27Å; T252-A320 WeakPolarHBondContact OG1-CA 3.49Å; S289-A320 VanDerWaalsContact CA-O 3.26Å; S289-A320 WeakPolarHBondContact CA-O 3.48Å; S289-A320 WeakPolarHBondContact CB-O 3.3Å; S289-A320 PolarHBondContact OG-O 2.93Å; N290-A320 PolarHBondContact OD1-N 2.81Å; N290-A320 PolarHBondContact OD1-O 2.92Å; Y318-A320 PolarHBondContact O-N 3.26Å; A320-N395 HydrophobicContact CB-CB 3.51Å; A320-L398 HydrophobicContact CB-CD2 4.19Å
321	W	98.4	Very high	97.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	161.5	163.2	59.1	88.5	0	0	0	112	L129 L131 F235 T252 F254 A262 F263 L277 L279 L288 L319	L129-W321 HydrophobicContact CD2-CH2 3.97Å; L129-W321 HydrophobicContact CD2-CZ3 3.95Å; L131-W321 HydrophobicContact CD1-CD2 4.24Å; L131-W321 HydrophobicContact CD1-CH2 3.85Å; L131-W321 HydrophobicContact CD1-CZ2 3.38Å; L131-W321 HydrophobicContact CD1-CZ3 4.47Å; F235-W321 HydrophobicContact CB-CZ2 4.42Å; F235-W321 AromaticContact CD1-NE1 3.79Å; F235-W321 AromaticContact CD2-NE1 3.36Å; F235-W321 AromaticContact CE1-NE1 3.72Å; F235-W321 AromaticContact CE2-CD1 3.58Å; F235-W321 AromaticContact CE2-NE1 3.28Å; F235-W321 VanDerWaalsContact CE2-NE1 3.28Å; F235-W321 HydrophobicContact CG-CZ2 4.34Å; F235-W321 AromaticContact CG-NE1 3.64Å; F235-W321 AromaticContact CZ-CD1 3.88Å; F235-W321 AromaticContact CZ-NE1 3.47Å; T252-W321 HydrophobicContact CG2-CD2 3.58Å; T252-W321 HydrophobicContact CG2-CE3 4.1Å; T252-W321 HydrophobicContact CG2-CG 3.94Å; T252-W321 HydrophobicContact CG2-CH2 4.32Å; T252-W321 HydrophobicContact CG2-CZ2 3.79Å; T252-W321 HydrophobicContact CG2-CZ3 4.44Å; T252-W321 PolarHBondContact N-O 3.24Å; T252-W321 PolarHBondContact OG1-N 3.33Å; T252-W321 PolarHBondContact OG1-O 3.42Å; F254-W321 HydrophobicContact CE2-CE3 4.36Å; F254-W321 AromaticContact CE2-CH2 3.87Å; F254-W321 HydrophobicContact CE2-CH2 3.87Å; F254-W321 AromaticContact CE2-CZ3 3.64Å; F254-W321 HydrophobicContact CE2-CZ3 3.64Å; F254-W321 HydrophobicContact CZ-CE3 4.36Å; F254-W321 AromaticContact CZ-CH2 3.41Å; F254-W321 HydrophobicContact CZ-CH2 3.41Å; F254-W321 VanDerWaalsContact CZ-CH2 3.41Å; F254-W321 AromaticContact CZ-CZ2 3.91Å; F254-W321 HydrophobicContact CZ-CZ2 3.91Å; F254-W321 AromaticContact CZ-CZ3 3.65Å; F254-W321 HydrophobicContact CZ-CZ3 3.65Å; A262-W321 HydrophobicContact CB-CH2 3.88Å; A262-W321 HydrophobicContact CB-CZ2 3.92Å; F263-W321 HydrophobicContact CD1-CH2 4.01Å; F263-W321 HydrophobicContact CE1-CH2 4.25Å; F263-W321 HydrophobicContact CE1-CZ3 4.41Å; L277-W321 HydrophobicContact CD2-CB 3.89Å; L277-W321 HydrophobicContact CD2-CD2 4.36Å; L277-W321 HydrophobicContact CD2-CE3 4.09Å; L277-W321 HydrophobicContact CD2-CG 4.32Å; L279-W321 HydrophobicContact CD1-CB 3.68Å; L279-W321 HydrophobicContact CD1-CG 4.14Å; L279-W321 HydrophobicContact CD2-CG 4.38Å; L288-W321 CarbonylContact O-C 3.54Å; L288-W321 WeakPolarHBondContact O-CA 3.39Å; L288-W321 VanDerWaalsContact O-CB 3.27Å; L288-W321 WeakPolarHBondContact O-CB 3.06Å; L319-W321 HydrophobicContact CD2-CE3 4.44Å; L319-W321 HydrophobicContact CD2-CZ3 3.71Å; L319-W321 HydrophobicContact CG-CE3 4.21Å; L319-W321 HydrophobicContact CG-CZ3 3.9Å
322	A	98.3	Very high	97.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.5	172	0	0	0	0	0	111.2	A250 V251 S287 L288 L383	A250-A322 CarbonylContact O-C 3.57Å; A250-A322 WeakPolarHBondContact O-CA 3.45Å; V251-A322 HydrophobicContact CB-CB 4.36Å; V251-A322 HydrophobicContact CG2-CB 4.22Å; S287-A322 CarbonylContact C-O 3.55Å; S287-A322 VanDerWaalsContact CA-O 3.32Å; S287-A322 WeakPolarHBondContact CA-O 3.2Å; L288-A322 HydrophobicContact CB-CB 4.45Å; L288-A322 PolarHBondContact N-O 3.39Å; L288-A322 PolarHBondContact O-N 3.26Å; A322-L383 HydrophobicContact CB-CD2 3.6Å
323	V	98.1	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	112.8	171.7	-179.8	0	0	0	0	107.4	V133 M135 L249 A250 H281 Y285 T286	V133-V323 HydrophobicContact CB-CG2 4.31Å; V133-V323 HydrophobicContact CG1-CB 4.45Å; V133-V323 HydrophobicContact CG1-CG2 4.18Å; V133-V323 HydrophobicContact CG2-CG2 4.15Å; M135-V323 HydrophobicContact CG-CG1 4.47Å; L249-V323 WeakPolarHBondContact CA-O 3.25Å; A250-V323 PolarHBondContact N-O 3.29Å; A250-V323 PolarHBondContact O-N 3.09Å; H281-V323 HydrophobicContact CB-CG1 4.08Å; Y285-V323 HydrophobicContact CD1-CG1 3.94Å; Y285-V323 HydrophobicContact CG-CG1 3.76Å; T286-V323 WeakPolarHBondContact O-CA 3.26Å
324	C	96.7	Very high	97.1	Very high	1 Å²	1	35 Å²	35	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	165.7	-170.1	65	0	0	0	0	113.1	L249 T286 F326	L249-C324 HydrophobicContact CB-CB 3.66Å; T286-C324 PolarHBondContact N-O 3.41Å; T286-C324 PolarHBondContact O-N 3.01Å; C324-F326 HydrophobicContact CB-CD1 4.24Å; C324-F326 HydrophobicContact CB-CG 4.21Å
325	N	95.1	Very high	96.6	Very high	36 Å²	36	37.8 Å²	37.8	19%	0.193	20%	0.197	C	C	.	.			trans	-101.6	37.8	174.9	-58.2	51.9	0	0	0	111.4	Q284 Y285	Q284-N325 PolarHBondContact O-ND2 3.31Å; Y285-N325 WeakPolarHBondContact CD1-OD1 3.26Å; Y285-N325 WeakPolarHBondContact CE1-OD1 3.41Å
326	F	97.1	Very high	96.4	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.039	22%	0.215	C	C	.	.			trans	-81.6	155.2	-179.8	-74.5	6.1	0	0	0	111.5	Y240 L249 C324 A343 R344 L383 A384	Y240-F326 HydrophobicContact CD1-CE1 4.14Å; Y240-F326 HydrophobicContact CE1-CD1 4.37Å; Y240-F326 AromaticContact CE1-CE1 3.61Å; Y240-F326 HydrophobicContact CE1-CE1 3.61Å; Y240-F326 AromaticContact CZ-CE1 3.93Å; L249-F326 HydrophobicContact CD1-CE2 4.29Å; L249-F326 HydrophobicContact CD1-CZ 3.92Å; L249-F326 HydrophobicContact CD2-CZ 4.43Å; C324-F326 HydrophobicContact CB-CD1 4.24Å; C324-F326 HydrophobicContact CB-CG 4.21Å; F326-A343 WeakPolarHBondContact CA-O 3.28Å; F326-A343 WeakPolarHBondContact CB-O 3.15Å; F326-A343 VanDerWaalsContact CG-C 3.45Å; F326-A343 VanDerWaalsContact CG-O 3.3Å; F326-A343 WeakPolarHBondContact CG-O 3.49Å; F326-R344 HydrophobicContact CD1-CG 4.37Å; F326-R344 HydrophobicContact CE1-CB 4.47Å; F326-R344 HydrophobicContact CE1-CG 3.66Å; F326-R344 HydrophobicContact CZ-CG 3.99Å; F326-L383 HydrophobicContact CD2-CD1 3.61Å; F326-L383 HydrophobicContact CE2-CD1 3.92Å; F326-A384 WeakPolarHBondContact CE2-O 3.5Å
327	T	97.1	Very high	96.4	Very high	60 Å²	60	40 Å²	40	37%	0.368	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	176.5	168	60.8	0	0	0	0	108.9	Y342 A343 P345 V348	T327-Y342 WeakPolarHBondContact O-CA 3.32Å; T327-A343 PolarHBondContact N-O 3.2Å; T327-A343 VanDerWaalsContact N-O 3.15Å; T327-A343 PolarHBondContact O-N 2.99Å; T327-A343 VanDerWaalsContact O-N 3.12Å; T327-P345 HydrophobicContact CG2-CB 4.27Å; T327-P345 HydrophobicContact CG2-CG 4.25Å; T327-V348 WeakPolarHBondContact O-CG2 3.34Å; T327-V348 WeakPolarHBondContact OG1-CB 3.24Å; T327-V348 WeakPolarHBondContact OG1-CG1 3.21Å
328	Y	98.2	Very high	96.5	Very high	110 Å²	110	40.7 Å²	40.7	43%	0.431	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	160.1	-178.3	67.1	-84.2	0	0	0	114.2	E330 R340 L341 Y342	Y328-E330 HydrophobicContact CD2-CB 4.17Å; Y328-E330 HydrophobicContact CE2-CB 4.02Å; Y328-R340 HydrophobicContact CD2-CB 4.09Å; Y328-R340 HydrophobicContact CD2-CG 3.94Å; Y328-R340 HydrophobicContact CE2-CG 4.22Å; Y328-L341 WeakPolarHBondContact CA-O 3.39Å; Y328-L341 VanDerWaalsContact CB-O 3.24Å; Y328-L341 WeakPolarHBondContact CB-O 3.31Å; Y328-Y342 HydrophobicContact CD1-CD1 4.11Å; Y328-Y342 AromaticContact CD1-CE1 3.39Å; Y328-Y342 HydrophobicContact CD1-CE1 3.39Å; Y328-Y342 AromaticContact CD1-CZ 3.73Å; Y328-Y342 HydrophobicContact CE1-CE1 4.22Å; Y328-Y342 HydrophobicContact CG-CD1 4.24Å; Y328-Y342 AromaticContact CG-CE1 3.76Å; Y328-Y342 HydrophobicContact CG-CE1 3.76Å; Y328-Y342 HydrophobicContact CG-CE2 4.37Å; Y328-Y342 AromaticContact CG-CZ 3.83Å
329	R	97.9	Very high	96.5	Very high	123 Å²	123	40.7 Å²	40.7	46%	0.464	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.1	159.2	-70.1	-64.7	-173.2	166.3	1.8	109.2	R340 L341 V348 L357	R329-R340 CarbonylContact O-C 3.55Å; R329-R340 VanDerWaalsContact O-CA 3.23Å; R329-R340 WeakPolarHBondContact O-CA 3.45Å; R329-L341 PolarHBondContact N-O 3.34Å; R329-L341 VanDerWaalsContact N-O 3.13Å; R329-L341 PolarHBondContact O-N 2.66Å; R329-V348 HydrophobicContact CG-CG1 4.11Å; R329-L357 HydrophobicContact CB-CD2 3.79Å
330	E	97.6	Very high	96.5	Very high	101 Å²	101	43.4 Å²	43.4	47%	0.472	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.4	-178.5	-175	178.5	88.1	0	0	111.1	Y328 I339 R340	Y328-E330 HydrophobicContact CD2-CB 4.17Å; Y328-E330 HydrophobicContact CE2-CB 4.02Å; E330-I339 CarbonylContact C-O 3.6Å; E330-I339 WeakPolarHBondContact CA-O 3.1Å; E330-R340 HydrophobicContact CB-CG 4.13Å; E330-R340 HydrophobicContact CG-CG 3.93Å; E330-R340 IonicContact OE2-CZ 3.56Å; E330-R340 VanDerWaalsContact OE2-CZ 3.22Å; E330-R340 IonicContact OE2-NE 3.42Å; E330-R340 PolarHBondContact OE2-NE 3.2Å; E330-R340 IonicContact OE2-NH2 3.27Å; E330-R340 PolarHBondContact OE2-NH2 3.24Å
331	T	97.3	Very high	96.5	Very high	41 Å²	41	43.6 Å²	43.6	25%	0.252	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	174.9	162.8	-161.9	0	0	0	0	109.4	I339 L357 K361	T331-I339 HydrophobicContact CG2-CB 3.95Å; T331-I339 HydrophobicContact CG2-CD1 4.4Å; T331-I339 PolarHBondContact N-O 3.02Å; T331-I339 PolarHBondContact O-N 2.85Å; T331-I339 VanDerWaalsContact O-O 3.13Å; T331-L357 HydrophobicContact CG2-CD1 3.87Å; T331-L357 HydrophobicContact CG2-CD2 4.31Å; T331-L357 HydrophobicContact CG2-CG 3.78Å; T331-K361 HydrophobicContact CG2-CB 4.09Å; T331-K361 HydrophobicContact CG2-CD 3.95Å
332	Q	96.5	Very high	96.5	Very high	108 Å²	108	44.2 Å²	44.2	51%	0.505	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.2	179	-161.7	176.7	26.3	0	0	110.5	G336 V337 K361	Q332-G336 PolarHBondContact NE2-O 2.93Å; Q332-V337 WeakPolarHBondContact CA-O 3.34Å; Q332-V337 WeakPolarHBondContact CG-O 3.4Å; Q332-K361 WeakPolarHBondContact O-CD 3.39Å; Q332-K361 WeakPolarHBondContact O-CE 3.46Å; Q332-K361 PolarHBondContact O-NZ 3.05Å
333	T	94.8	Very high	96.5	Very high	13 Å²	13	44.2 Å²	44.2	8%	0.08	24%	0.237	C	C	.	.			trans	-73.3	168.6	171.7	67.8	0	0	0	0	111.5	S335 G336 V337 I339 L364	T333-S335 PolarHBondContact O-N 2.95Å; T333-S335 PolarHBondContact OG1-N 3.48Å; T333-S335 PolarHBondContact OG1-OG 3.02Å; T333-G336 PolarHBondContact O-N 3.27Å; T333-G336 PolarHBondContact OG1-N 3.28Å; T333-V337 HydrophobicContact CG2-CB 4.1Å; T333-V337 PolarHBondContact N-O 2.75Å; T333-V337 WeakPolarHBondContact OG1-CB 3.31Å; T333-V337 PolarHBondContact OG1-N 3.05Å; T333-I339 HydrophobicContact CG2-CD1 3.59Å; T333-I339 HydrophobicContact CG2-CG1 4.29Å; T333-L364 HydrophobicContact CG2-CB 4.45Å; T333-L364 HydrophobicContact CG2-CD2 3.77Å
334	S	89.8	Confident	96.4	Very high	129 Å²	129	45.3 Å²	45.3	90%	0.902	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.9	171.1	44.8	0	0	0	0	113	G336	S334-G336 VanDerWaalsContact C-N 3.26Å; S334-G336 PolarHBondContact O-N 3.4Å
335	S	88.6	Confident	96.3	Very high	59 Å²	59	46.8 Å²	46.8	41%	0.413	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.5	175.2	50.3	0	0	0	0	113.8	T333	T333-S335 PolarHBondContact O-N 2.95Å; T333-S335 PolarHBondContact OG1-N 3.48Å; T333-S335 PolarHBondContact OG1-OG 3.02Å
336	G	94.1	Very high	96.2	Very high	36 Å²	36	47.4 Å²	47.4	37%	0.371	26%	0.255	S	S	.	.			trans	91.2	5.2	176.9	0	0	0	0	0	115.1	Q332 T333 S334 A338	Q332-G336 PolarHBondContact NE2-O 2.93Å; T333-G336 PolarHBondContact O-N 3.27Å; T333-G336 PolarHBondContact OG1-N 3.28Å; S334-G336 VanDerWaalsContact C-N 3.26Å; S334-G336 PolarHBondContact O-N 3.4Å; G336-A338 PolarHBondContact O-N 3.34Å
337	V	97.6	Very high	96	Very high	10 Å²	10	47.3 Å²	47.3	6%	0.061	26%	0.256	C	S	.	.			trans	-70.7	122.5	176.7	-178	0	0	0	0	109.4	Q332 T333 L364 Y375	Q332-V337 WeakPolarHBondContact CA-O 3.34Å; Q332-V337 WeakPolarHBondContact CG-O 3.4Å; T333-V337 HydrophobicContact CG2-CB 4.1Å; T333-V337 PolarHBondContact N-O 2.75Å; T333-V337 WeakPolarHBondContact OG1-CB 3.31Å; T333-V337 PolarHBondContact OG1-N 3.05Å; V337-L364 HydrophobicContact CB-CD2 4.19Å; V337-L364 HydrophobicContact CG1-CD2 4.03Å; V337-L364 HydrophobicContact CG2-CD2 4.33Å; V337-Y375 HydrophobicContact CB-CD1 4.45Å; V337-Y375 HydrophobicContact CG1-CD1 3.71Å; V337-Y375 HydrophobicContact CG1-CE1 3.69Å; V337-Y375 HydrophobicContact CG2-CD1 3.89Å
338	A	98.3	Very high	95.9	Very high	17 Å²	17	45 Å²	45	14%	0.14	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.3	174.8	0	0	0	0	0	110.1	G336 P378 K379 L380	G336-A338 PolarHBondContact O-N 3.34Å; A338-P378 PolarHBondContact N-O 2.6Å; A338-P378 VanDerWaalsContact N-O 3.12Å; A338-K379 HydrophobicContact CB-CB 4.15Å; A338-K379 CarbonylContact O-C 3.55Å; A338-K379 WeakPolarHBondContact O-CA 3.21Å; A338-K379 WeakPolarHBondContact O-CB 3.22Å; A338-L380 PolarHBondContact O-N 3.48Å
339	I	98.6	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.2	176.6	-55	169.1	0	0	0	107.9	E330 T331 T333 L357 T360 K361 L380	E330-I339 CarbonylContact C-O 3.6Å; E330-I339 WeakPolarHBondContact CA-O 3.1Å; T331-I339 HydrophobicContact CG2-CB 3.95Å; T331-I339 HydrophobicContact CG2-CD1 4.4Å; T331-I339 PolarHBondContact N-O 3.02Å; T331-I339 PolarHBondContact O-N 2.85Å; T331-I339 VanDerWaalsContact O-O 3.13Å; T333-I339 HydrophobicContact CG2-CD1 3.59Å; T333-I339 HydrophobicContact CG2-CG1 4.29Å; I339-L357 HydrophobicContact CB-CD1 4.23Å; I339-L357 HydrophobicContact CG2-CD1 3.66Å; I339-T360 HydrophobicContact CD1-CG2 4.27Å; I339-T360 HydrophobicContact CG2-CG2 3.88Å; I339-K361 HydrophobicContact CD1-CB 3.91Å; I339-L380 VanDerWaalsContact CA-O 3.27Å; I339-L380 WeakPolarHBondContact CA-O 3.25Å
340	R	98.6	Very high	95.4	Very high	59 Å²	59	42.1 Å²	42.1	22%	0.223	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.9	179.4	-57.6	173.7	178.6	145.2	2.5	111	Y328 R329 E330 Y342 L380 D381 L382	Y328-R340 HydrophobicContact CD2-CB 4.09Å; Y328-R340 HydrophobicContact CD2-CG 3.94Å; Y328-R340 HydrophobicContact CE2-CG 4.22Å; R329-R340 CarbonylContact O-C 3.55Å; R329-R340 VanDerWaalsContact O-CA 3.23Å; R329-R340 WeakPolarHBondContact O-CA 3.45Å; E330-R340 HydrophobicContact CB-CG 4.13Å; E330-R340 HydrophobicContact CG-CG 3.93Å; E330-R340 IonicContact OE2-CZ 3.56Å; E330-R340 VanDerWaalsContact OE2-CZ 3.22Å; E330-R340 IonicContact OE2-NE 3.42Å; E330-R340 PolarHBondContact OE2-NE 3.2Å; E330-R340 IonicContact OE2-NH2 3.27Å; E330-R340 PolarHBondContact OE2-NH2 3.24Å; R340-Y342 HydrophobicContact CB-CD2 4.07Å; R340-Y342 HydrophobicContact CB-CE2 3.58Å; R340-Y342 WeakPolarHBondContact CD-OH 3.37Å; R340-Y342 HydrophobicContact CG-CE2 4.33Å; R340-L380 PolarHBondContact N-O 3.35Å; R340-D381 WeakPolarHBondContact CB-OD1 3.22Å; R340-D381 WeakPolarHBondContact CD-OD1 3.09Å; R340-D381 CarbonylContact O-C 3.56Å; R340-D381 WeakPolarHBondContact O-CA 3.42Å; R340-L382 PolarHBondContact O-N 2.03Å
341	L	98.6	Very high	95.3	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	114.6	168.3	-175.4	151.5	0	0	0	109.2	Y328 R329 A343 G353 A356 L357 L382 I406 L407	Y328-L341 WeakPolarHBondContact CA-O 3.39Å; Y328-L341 VanDerWaalsContact CB-O 3.24Å; Y328-L341 WeakPolarHBondContact CB-O 3.31Å; R329-L341 PolarHBondContact N-O 3.34Å; R329-L341 VanDerWaalsContact N-O 3.13Å; R329-L341 PolarHBondContact O-N 2.66Å; L341-A343 HydrophobicContact CD2-CB 4.04Å; L341-G353 WeakPolarHBondContact CD1-O 3.36Å; L341-A356 HydrophobicContact CD1-CB 3.77Å; L341-L357 HydrophobicContact CB-CD1 4.33Å; L341-L382 CarbonylContact C-O 3.48Å; L341-L382 WeakPolarHBondContact CA-O 3.14Å; L341-L382 HydrophobicContact CG-CB 4.49Å; L341-I406 HydrophobicContact CD1-CD1 4.01Å; L341-I406 HydrophobicContact CD1-CG1 3.99Å; L341-L407 HydrophobicContact CD2-CD2 4.31Å
342	Y	98.6	Very high	95.1	Very high	13 Å²	13	36.9 Å²	36.9	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.3	175.9	-72.2	-94.6	0	0	0	110.2	L288 T327 Y328 R340 D381 L382 A384	L288-Y342 HydrophobicContact CD1-CD1 3.78Å; L288-Y342 HydrophobicContact CD1-CD2 4.06Å; L288-Y342 HydrophobicContact CD1-CE1 4.11Å; L288-Y342 HydrophobicContact CD1-CE2 4.36Å; L288-Y342 HydrophobicContact CD1-CG 3.76Å; L288-Y342 HydrophobicContact CD2-CD1 4.16Å; L288-Y342 HydrophobicContact CD2-CE1 3.6Å; L288-Y342 HydrophobicContact CD2-CE2 4.09Å; L288-Y342 HydrophobicContact CG-CE1 4.48Å; T327-Y342 WeakPolarHBondContact O-CA 3.32Å; Y328-Y342 HydrophobicContact CD1-CD1 4.11Å; Y328-Y342 AromaticContact CD1-CE1 3.39Å; Y328-Y342 HydrophobicContact CD1-CE1 3.39Å; Y328-Y342 AromaticContact CD1-CZ 3.73Å; Y328-Y342 HydrophobicContact CE1-CE1 4.22Å; Y328-Y342 HydrophobicContact CG-CD1 4.24Å; Y328-Y342 AromaticContact CG-CE1 3.76Å; Y328-Y342 HydrophobicContact CG-CE1 3.76Å; Y328-Y342 HydrophobicContact CG-CE2 4.37Å; Y328-Y342 AromaticContact CG-CZ 3.83Å; R340-Y342 HydrophobicContact CB-CD2 4.07Å; R340-Y342 HydrophobicContact CB-CE2 3.58Å; R340-Y342 WeakPolarHBondContact CD-OH 3.37Å; R340-Y342 HydrophobicContact CG-CE2 4.33Å; Y342-D381 HydrophobicContact CD2-CB 4.13Å; Y342-D381 HydrophobicContact CE2-CB 4.04Å; Y342-L382 PolarHBondContact N-O 3.06Å; Y342-A384 PolarHBondContact O-N 3.46Å
343	A	97.4	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	-179.3	173.8	0	0	0	0	0	110.6	F326 T327 L341 A347 V348 A384 L407	F326-A343 WeakPolarHBondContact CA-O 3.28Å; F326-A343 WeakPolarHBondContact CB-O 3.15Å; F326-A343 VanDerWaalsContact CG-C 3.45Å; F326-A343 VanDerWaalsContact CG-O 3.3Å; F326-A343 WeakPolarHBondContact CG-O 3.49Å; T327-A343 PolarHBondContact N-O 3.2Å; T327-A343 VanDerWaalsContact N-O 3.15Å; T327-A343 PolarHBondContact O-N 2.99Å; T327-A343 VanDerWaalsContact O-N 3.12Å; L341-A343 HydrophobicContact CD2-CB 4.04Å; A343-A347 HydrophobicContact CB-CB 4.28Å; A343-V348 HydrophobicContact CB-CG2 3.94Å; A343-A384 HydrophobicContact CB-CB 3.87Å; A343-L407 HydrophobicContact CB-CD2 4.19Å
344	R	95.5	Very high	95.2	Very high	23 Å²	23	34.9 Å²	34.9	9%	0.087	23%	0.229	C	C	.	.			trans	-54.5	144	172.9	-61.5	-176	-66.2	112.3	-3.5	110.9	Y240 F326 D346 A347 V348 E403	Y240-R344 VanDerWaalsContact CB-CD 3.48Å; Y240-R344 HydrophobicContact CD1-CG 4.35Å; Y240-R344 HydrophobicContact CD2-CB 4.48Å; Y240-R344 HydrophobicContact CD2-CG 3.75Å; Y240-R344 HydrophobicContact CE2-CB 4.32Å; Y240-R344 HydrophobicContact CE2-CG 3.88Å; Y240-R344 HydrophobicContact CG-CG 3.96Å; F326-R344 HydrophobicContact CD1-CG 4.37Å; F326-R344 HydrophobicContact CE1-CB 4.47Å; F326-R344 HydrophobicContact CE1-CG 3.66Å; F326-R344 HydrophobicContact CZ-CG 3.99Å; R344-D346 VanDerWaalsContact C-N 3.26Å; R344-D346 VanDerWaalsContact CB-OD1 3.22Å; R344-D346 WeakPolarHBondContact CB-OD1 3.44Å; R344-D346 IonicContact CZ-OD1 2.59Å; R344-D346 IonicContact CZ-OD2 3.67Å; R344-D346 IonicContact NH1-OD1 3.64Å; R344-D346 PolarHBondContact NH1-OD1 3.02Å; R344-D346 IonicContact NH1-OD2 3.49Å; R344-D346 PolarHBondContact NH1-OD2 2.97Å; R344-D346 PolarHBondContact O-N 3.4Å; R344-D346 VanDerWaalsContact O-N 3.15Å; R344-A347 PolarHBondContact O-N 2.86Å; R344-V348 PolarHBondContact O-N 3.44Å; R344-V348 VanDerWaalsContact O-N 3.09Å; R344-E403 WeakPolarHBondContact CD-OE1 3.47Å; R344-E403 WeakPolarHBondContact CG-OE1 3.36Å; R344-E403 IonicContact CZ-OE1 3.37Å; R344-E403 IonicContact CZ-OE2 3.03Å; R344-E403 IonicContact NE-OE1 3.95Å; R344-E403 PolarHBondContact NE-OE1 3.43Å; R344-E403 IonicContact NE-OE2 3.8Å; R344-E403 PolarHBondContact NE-OE2 2.88Å; R344-E403 IonicContact NH2-OE1 2.81Å; R344-E403 IonicContact NH2-OE2 3.97Å; R344-E403 PolarHBondContact NH2-OE2 3.18Å
345	P	94.7	Very high	95.5	Very high	33 Å²	33	30.6 Å²	30.6	21%	0.214	19%	0.194	C	C	.	.	H	α-helix	trans	-54.9	-38	-173.8	-27.8	33.8	0	0	0	115	L242 T327 S349	L242-P345 HydrophobicContact CD2-CG 4.28Å; T327-P345 HydrophobicContact CG2-CB 4.27Å; T327-P345 HydrophobicContact CG2-CG 4.25Å; P345-S349 WeakPolarHBondContact O-CB 3.28Å; P345-S349 PolarHBondContact O-N 3.48Å; P345-S349 PolarHBondContact O-OG 3.38Å
346	D	92.7	Very high	95.9	Very high	49 Å²	49	27.8 Å²	27.8	26%	0.262	17%	0.174	S	C	.	.	H	α-helix	trans	-66.3	-43.4	177.6	58.2	-40	0	0	0	112.2	L242 R344 V348 S349 S350	L242-D346 HydrophobicContact CD1-CB 3.98Å; R344-D346 VanDerWaalsContact C-N 3.26Å; R344-D346 VanDerWaalsContact CB-OD1 3.22Å; R344-D346 WeakPolarHBondContact CB-OD1 3.44Å; R344-D346 IonicContact CZ-OD1 2.59Å; R344-D346 IonicContact CZ-OD2 3.67Å; R344-D346 IonicContact NH1-OD1 3.64Å; R344-D346 PolarHBondContact NH1-OD1 3.02Å; R344-D346 IonicContact NH1-OD2 3.49Å; R344-D346 PolarHBondContact NH1-OD2 2.97Å; R344-D346 PolarHBondContact O-N 3.4Å; R344-D346 VanDerWaalsContact O-N 3.15Å; D346-V348 PolarHBondContact O-N 3.09Å; D346-S349 WeakPolarHBondContact CA-OG 3.27Å; D346-S349 PolarHBondContact O-N 2.91Å; D346-S349 PolarHBondContact O-OG 3.23Å; D346-S350 PolarHBondContact O-N 3.04Å; D346-S350 PolarHBondContact O-OG 3.06Å
347	A	93.3	Very high	96.1	Very high	7 Å²	7	26.8 Å²	26.8	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-38.7	177	0	0	0	0	0	112.9	A343 R344 S350 G351 A352 L407	A343-A347 HydrophobicContact CB-CB 4.28Å; R344-A347 PolarHBondContact O-N 2.86Å; A347-S350 PolarHBondContact O-OG 3.42Å; A347-S350 VanDerWaalsContact O-OG 3.08Å; A347-G351 PolarHBondContact O-N 3.08Å; A347-A352 HydrophobicContact CB-CB 4.47Å; A347-A352 WeakPolarHBondContact O-CB 3.4Å; A347-A352 PolarHBondContact O-N 3.25Å; A347-L407 HydrophobicContact CB-CD1 3.85Å
348	V	95.3	Very high	96.1	Very high	11 Å²	11	31.6 Å²	31.6	7%	0.067	18%	0.182	C	C	.	.	H	α-helix	trans	-66.6	-42.4	174.2	170.3	0	0	0	0	111.1	T327 R329 A343 R344 D346 S350 G351	T327-V348 WeakPolarHBondContact O-CG2 3.34Å; T327-V348 WeakPolarHBondContact OG1-CB 3.24Å; T327-V348 WeakPolarHBondContact OG1-CG1 3.21Å; R329-V348 HydrophobicContact CG-CG1 4.11Å; A343-V348 HydrophobicContact CB-CG2 3.94Å; R344-V348 PolarHBondContact O-N 3.44Å; R344-V348 VanDerWaalsContact O-N 3.09Å; D346-V348 PolarHBondContact O-N 3.09Å; V348-S350 VanDerWaalsContact C-N 3.32Å; V348-S350 PolarHBondContact O-N 3.31Å; V348-G351 PolarHBondContact O-N 2.8Å
349	S	94.1	Very high	96.1	Very high	88 Å²	88	30.9 Å²	30.9	62%	0.615	18%	0.175	S	C	*	.	H	α-helix	trans	-67.6	-32	-178.9	73.4	0	0	0	0	113.1	P345 D346 G351	P345-S349 WeakPolarHBondContact O-CB 3.28Å; P345-S349 PolarHBondContact O-N 3.48Å; P345-S349 PolarHBondContact O-OG 3.38Å; D346-S349 WeakPolarHBondContact CA-OG 3.27Å; D346-S349 PolarHBondContact O-N 2.91Å; D346-S349 PolarHBondContact O-OG 3.23Å; S349-G351 VanDerWaalsContact C-N 3.27Å; S349-G351 PolarHBondContact O-N 3.07Å
350	S	92.4	Very high	96	Very high	85 Å²	85	30.9 Å²	30.9	59%	0.594	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.4	177.2	71.9	0	0	0	0	113.7	D346 A347 V348	D346-S350 PolarHBondContact O-N 3.04Å; D346-S350 PolarHBondContact O-OG 3.06Å; A347-S350 PolarHBondContact O-OG 3.42Å; A347-S350 VanDerWaalsContact O-OG 3.08Å; V348-S350 VanDerWaalsContact C-N 3.32Å; V348-S350 PolarHBondContact O-N 3.31Å
351	G	94.3	Very high	96	Very high	18 Å²	18	32.2 Å²	32.2	19%	0.186	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	15.2	-177	0	0	0	0	0	114.4	A347 V348 S349 G353 D354	A347-G351 PolarHBondContact O-N 3.08Å; V348-G351 PolarHBondContact O-N 2.8Å; S349-G351 VanDerWaalsContact C-N 3.27Å; S349-G351 PolarHBondContact O-N 3.07Å; G351-G353 PolarHBondContact O-N 3.48Å; G351-G353 VanDerWaalsContact O-N 3.13Å; G351-D354 WeakPolarHBondContact CA-OD2 3.35Å; G351-D354 WeakPolarHBondContact O-CB 3.23Å; G351-D354 PolarHBondContact O-N 3.34Å
352	A	94.1	Very high	96	Very high	14 Å²	14	36.8 Å²	36.8	12%	0.116	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.7	-174.4	0	0	0	0	0	113.7	A347 L407 L408	A347-A352 HydrophobicContact CB-CB 4.47Å; A347-A352 WeakPolarHBondContact O-CB 3.4Å; A347-A352 PolarHBondContact O-N 3.25Å; A352-L407 HydrophobicContact CB-CB 4.26Å; A352-L407 HydrophobicContact CB-CD2 4.4Å; A352-L407 WeakPolarHBondContact O-CA 3.07Å; A352-L408 WeakPolarHBondContact CA-O 3.47Å; A352-L408 PolarHBondContact O-N 3.4Å
353	G	95.7	Very high	95.9	Very high	4 Å²	4	36.1 Å²	36.1	4%	0.041	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-8.3	176.1	0	0	0	0	0	115	L341 G351 Y355 A356 L357	L341-G353 WeakPolarHBondContact CD1-O 3.36Å; G351-G353 PolarHBondContact O-N 3.48Å; G351-G353 VanDerWaalsContact O-N 3.13Å; G353-Y355 PolarHBondContact O-N 3.06Å; G353-A356 PolarHBondContact O-N 2.89Å; G353-L357 PolarHBondContact O-N 2.66Å; G353-L357 VanDerWaalsContact O-N 3.07Å
354	D	96.2	Very high	95.9	Very high	74 Å²	74	36.1 Å²	36.1	40%	0.396	20%	0.197	S	C	.	.	H	α-helix	trans	-63.8	-33.9	-168.7	-67.9	-12.8	0	0	0	112	G351 H358	G351-D354 WeakPolarHBondContact CA-OD2 3.35Å; G351-D354 WeakPolarHBondContact O-CB 3.23Å; G351-D354 PolarHBondContact O-N 3.34Å; D354-H358 WeakPolarHBondContact O-CB 3.47Å; D354-H358 PolarHBondContact O-N 3.29Å
355	Y	96.6	Very high	95.9	Very high	40 Å²	40	36.5 Å²	36.5	16%	0.157	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-52.1	175.3	178.5	-108.4	0	0	0	112.5	G353 L357 H358 I359 L408 Q418 L421 T422 F465	G353-Y355 PolarHBondContact O-N 3.06Å; Y355-L357 VanDerWaalsContact C-N 3.32Å; Y355-L357 PolarHBondContact O-N 2.98Å; Y355-H358 WeakPolarHBondContact O-CB 3.35Å; Y355-H358 PolarHBondContact O-N 3.46Å; Y355-I359 HydrophobicContact CD1-CD1 4.44Å; Y355-I359 HydrophobicContact CD2-CG2 4.4Å; Y355-I359 HydrophobicContact CE1-CD1 3.96Å; Y355-I359 HydrophobicContact CE1-CG2 4.41Å; Y355-I359 HydrophobicContact CE2-CG2 3.89Å; Y355-I359 PolarHBondContact O-N 2.96Å; Y355-L408 HydrophobicContact CD1-CB 4.49Å; Y355-L408 HydrophobicContact CD1-CD2 4.2Å; Y355-L408 HydrophobicContact CG-CD2 3.97Å; Y355-Q418 HydrophobicContact CE1-CG 3.9Å; Y355-Q418 HydrophobicContact CE2-CG 4.41Å; Y355-Q418 PolarHBondContact OH-NE2 3.32Å; Y355-Q418 VanDerWaalsContact OH-NE2 3.12Å; Y355-L421 HydrophobicContact CD1-CD2 3.69Å; Y355-L421 HydrophobicContact CE1-CD2 3.76Å; Y355-T422 PolarHBondContact OH-OG1 2.87Å; Y355-F465 HydrophobicContact CE2-CZ 4.21Å; Y355-F465 VanDerWaalsContact OH-CE2 3.28Å; Y355-F465 WeakPolarHBondContact OH-CE2 3.5Å; Y355-F465 WeakPolarHBondContact OH-CZ 3.42Å
356	A	97.9	Very high	96	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-41.1	179.8	0	0	0	0	0	111.7	L341 G353 H358 I359 T360 I406 L421 V425	L341-A356 HydrophobicContact CD1-CB 3.77Å; G353-A356 PolarHBondContact O-N 2.89Å; A356-H358 VanDerWaalsContact C-N 3.33Å; A356-H358 PolarHBondContact O-N 2.96Å; A356-I359 WeakPolarHBondContact O-CG1 3.24Å; A356-T360 VanDerWaalsContact O-CB 3.3Å; A356-T360 WeakPolarHBondContact O-CB 3.19Å; A356-T360 PolarHBondContact O-N 3.44Å; A356-T360 PolarHBondContact O-OG1 3.04Å; A356-I406 HydrophobicContact CB-CD1 4.25Å; A356-I406 HydrophobicContact CB-CG1 3.54Å; A356-I406 WeakPolarHBondContact CB-O 3.32Å; A356-L421 HydrophobicContact CB-CD2 4.47Å; A356-V425 HydrophobicContact CB-CG2 4.4Å
357	L	97.4	Very high	96.3	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.073	19%	0.191	C	C	.	.	H	α-helix	trans	-60.8	-42.8	175.7	-170.8	66.9	0	0	0	111.7	R329 T331 I339 L341 G353 Y355 K361	R329-L357 HydrophobicContact CB-CD2 3.79Å; T331-L357 HydrophobicContact CG2-CD1 3.87Å; T331-L357 HydrophobicContact CG2-CD2 4.31Å; T331-L357 HydrophobicContact CG2-CG 3.78Å; I339-L357 HydrophobicContact CB-CD1 4.23Å; I339-L357 HydrophobicContact CG2-CD1 3.66Å; L341-L357 HydrophobicContact CB-CD1 4.33Å; G353-L357 PolarHBondContact O-N 2.66Å; G353-L357 VanDerWaalsContact O-N 3.07Å; Y355-L357 VanDerWaalsContact C-N 3.32Å; Y355-L357 PolarHBondContact O-N 2.98Å; L357-K361 PolarHBondContact O-N 3.39Å
358	H	97.4	Very high	96.4	Very high	112 Å²	112	34.2 Å²	34.2	52%	0.519	19%	0.191	S	C	.	.	H	α-helix	trans	-65	-49.2	179.3	179.1	77.8	0	0	0	112.8	D354 Y355 A356 K361 R362	D354-H358 WeakPolarHBondContact O-CB 3.47Å; D354-H358 PolarHBondContact O-N 3.29Å; Y355-H358 WeakPolarHBondContact O-CB 3.35Å; Y355-H358 PolarHBondContact O-N 3.46Å; A356-H358 VanDerWaalsContact C-N 3.33Å; A356-H358 PolarHBondContact O-N 2.96Å; H358-K361 PolarHBondContact O-N 3.49Å; H358-R362 PolarHBondContact O-N 3.49Å
359	I	97.9	Very high	96.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-67.6	-37.3	-178.9	63.9	175	0	0	0	111.5	Y355 A356 K361 R362 L363 L421 T422 V425 L464	Y355-I359 HydrophobicContact CD1-CD1 4.44Å; Y355-I359 HydrophobicContact CD2-CG2 4.4Å; Y355-I359 HydrophobicContact CE1-CD1 3.96Å; Y355-I359 HydrophobicContact CE1-CG2 4.41Å; Y355-I359 HydrophobicContact CE2-CG2 3.89Å; Y355-I359 PolarHBondContact O-N 2.96Å; A356-I359 WeakPolarHBondContact O-CG1 3.24Å; I359-K361 VanDerWaalsContact C-N 3.34Å; I359-K361 PolarHBondContact O-N 2.9Å; I359-R362 PolarHBondContact O-N 3.29Å; I359-R362 VanDerWaalsContact O-N 3.09Å; I359-L363 WeakPolarHBondContact O-CB 3.23Å; I359-L363 VanDerWaalsContact O-CG 3.28Å; I359-L363 WeakPolarHBondContact O-CG 3.14Å; I359-L363 PolarHBondContact O-N 3.19Å; I359-L421 HydrophobicContact CD1-CD2 4.47Å; I359-T422 HydrophobicContact CD1-CG2 4.29Å; I359-V425 HydrophobicContact CD1-CB 3.92Å; I359-V425 HydrophobicContact CD1-CG1 3.87Å; I359-V425 HydrophobicContact CD1-CG2 4.28Å; I359-V425 HydrophobicContact CG1-CG1 4.01Å; I359-L464 HydrophobicContact CB-CD1 3.91Å; I359-L464 HydrophobicContact CB-CD2 4.42Å; I359-L464 HydrophobicContact CG2-CD1 4.21Å
360	T	98.4	Very high	96.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-44.8	178.2	-61.2	0	0	0	0	111.7	I339 A356 R362 L363 L364 L380 L382 V425 I429	I339-T360 HydrophobicContact CD1-CG2 4.27Å; I339-T360 HydrophobicContact CG2-CG2 3.88Å; A356-T360 VanDerWaalsContact O-CB 3.3Å; A356-T360 WeakPolarHBondContact O-CB 3.19Å; A356-T360 PolarHBondContact O-N 3.44Å; A356-T360 PolarHBondContact O-OG1 3.04Å; T360-R362 VanDerWaalsContact C-N 3.28Å; T360-R362 PolarHBondContact O-N 3.05Å; T360-L363 PolarHBondContact O-N 2.86Å; T360-L364 PolarHBondContact O-N 3.21Å; T360-L380 HydrophobicContact CG2-CD2 4.08Å; T360-L382 HydrophobicContact CG2-CD1 4.18Å; T360-L382 HydrophobicContact CG2-CD2 4.49Å; T360-L382 WeakPolarHBondContact OG1-CD1 3.2Å; T360-V425 WeakPolarHBondContact OG1-CG1 3.45Å; T360-I429 HydrophobicContact CG2-CD1 3.58Å; T360-I429 HydrophobicContact CG2-CG1 4.1Å
361	K	97.8	Very high	96.9	Very high	87 Å²	87	32.9 Å²	32.9	38%	0.378	16%	0.164	S	C	.	.	H	α-helix	trans	-58.1	-39.6	176	174.4	172.4	170.8	162.7	0	112.8	T331 Q332 I339 L357 H358 I359	T331-K361 HydrophobicContact CG2-CB 4.09Å; T331-K361 HydrophobicContact CG2-CD 3.95Å; Q332-K361 WeakPolarHBondContact O-CD 3.39Å; Q332-K361 WeakPolarHBondContact O-CE 3.46Å; Q332-K361 PolarHBondContact O-NZ 3.05Å; I339-K361 HydrophobicContact CD1-CB 3.91Å; L357-K361 PolarHBondContact O-N 3.39Å; H358-K361 PolarHBondContact O-N 3.49Å; I359-K361 VanDerWaalsContact C-N 3.34Å; I359-K361 PolarHBondContact O-N 2.9Å
362	R	97.8	Very high	97	Very high	99 Å²	99	37.7 Å²	37.7	37%	0.374	18%	0.18	S	C	.	.	H	α-helix	trans	-73.1	-40.2	178.4	-67.4	-176.4	63.1	-153.6	-8.6	111.8	H358 I359 T360 G365 F366 F463 L464	H358-R362 PolarHBondContact O-N 3.49Å; I359-R362 PolarHBondContact O-N 3.29Å; I359-R362 VanDerWaalsContact O-N 3.09Å; T360-R362 VanDerWaalsContact C-N 3.28Å; T360-R362 PolarHBondContact O-N 3.05Å; R362-G365 PolarHBondContact O-N 2.8Å; R362-F366 PolarHBondContact O-N 3.44Å; R362-F366 VanDerWaalsContact O-N 3.1Å; R362-F463 HydrophobicContact CB-CE1 4.34Å; R362-L464 HydrophobicContact CB-CD2 3.9Å
363	L	97.4	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-39.6	-179.1	-73.5	166.8	0	0	0	112.7	I359 T360 G365 F366 Y367 V425 V426 I429 L464	I359-L363 WeakPolarHBondContact O-CB 3.23Å; I359-L363 VanDerWaalsContact O-CG 3.28Å; I359-L363 WeakPolarHBondContact O-CG 3.14Å; I359-L363 PolarHBondContact O-N 3.19Å; T360-L363 PolarHBondContact O-N 2.86Å; L363-G365 VanDerWaalsContact C-N 3.33Å; L363-G365 PolarHBondContact O-N 3.42Å; L363-F366 WeakPolarHBondContact O-CB 3.07Å; L363-F366 PolarHBondContact O-N 2.97Å; L363-F366 VanDerWaalsContact O-N 3.16Å; L363-Y367 HydrophobicContact CD2-CE2 4.39Å; L363-Y367 WeakPolarHBondContact O-CD2 3.41Å; L363-Y367 PolarHBondContact O-N 3.21Å; L363-V425 HydrophobicContact CD1-CG1 4.22Å; L363-V426 HydrophobicContact CD1-CB 4.2Å; L363-V426 HydrophobicContact CD1-CG2 3.59Å; L363-V426 HydrophobicContact CD2-CG1 4.09Å; L363-V426 HydrophobicContact CD2-CG2 3.9Å; L363-V426 HydrophobicContact CG-CG2 4.36Å; L363-I429 HydrophobicContact CB-CG2 4.15Å; L363-I429 HydrophobicContact CD1-CG1 4.41Å; L363-L464 HydrophobicContact CD1-CD1 3.93Å; L363-L464 HydrophobicContact CD2-CD1 3.74Å; L363-L464 HydrophobicContact CD2-CD2 4.27Å; L363-L464 HydrophobicContact CD2-CG 3.87Å; L363-L464 HydrophobicContact CG-CD1 3.83Å; L363-L464 HydrophobicContact CG-CD2 4.23Å; L363-L464 HydrophobicContact CG-CG 4.22Å
364	L	96.5	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-47.4	178.1	-154.7	73.1	0	0	0	110.7	T333 V337 T360 F366 Y367 E368 Y375 L380 I429 W433	T333-L364 HydrophobicContact CG2-CB 4.45Å; T333-L364 HydrophobicContact CG2-CD2 3.77Å; V337-L364 HydrophobicContact CB-CD2 4.19Å; V337-L364 HydrophobicContact CG1-CD2 4.03Å; V337-L364 HydrophobicContact CG2-CD2 4.33Å; T360-L364 PolarHBondContact O-N 3.21Å; L364-F366 VanDerWaalsContact C-N 3.34Å; L364-F366 PolarHBondContact O-N 3.15Å; L364-Y367 PolarHBondContact O-N 3.49Å; L364-E368 WeakPolarHBondContact O-CB 3.37Å; L364-E368 VanDerWaalsContact O-CG 3.26Å; L364-E368 WeakPolarHBondContact O-CG 3.4Å; L364-E368 PolarHBondContact O-N 3.5Å; L364-Y375 HydrophobicContact CD1-CD2 3.93Å; L364-Y375 HydrophobicContact CD1-CG 3.98Å; L364-Y375 HydrophobicContact CD2-CD1 4.09Å; L364-Y375 HydrophobicContact CD2-CG 4.06Å; L364-Y375 HydrophobicContact CG-CG 4.39Å; L364-L380 HydrophobicContact CD1-CD2 4.45Å; L364-I429 HydrophobicContact CD1-CG2 4.06Å; L364-W433 HydrophobicContact CD1-CH2 3.77Å; L364-W433 HydrophobicContact CD1-CZ3 4.09Å; L364-W433 HydrophobicContact CG-CH2 4.34Å
365	G	96.1	Very high	97.3	Very high	30 Å²	30	40.1 Å²	40.1	31%	0.309	19%	0.185	S	C	.	.	H	α-helix	trans	-63.3	-37.2	175.9	0	0	0	0	0	113.4	R362 L363 E369	R362-G365 PolarHBondContact O-N 2.8Å; L363-G365 VanDerWaalsContact C-N 3.33Å; L363-G365 PolarHBondContact O-N 3.42Å; G365-E369 WeakPolarHBondContact O-CB 3.45Å; G365-E369 PolarHBondContact O-N 3.26Å; G365-E369 VanDerWaalsContact O-N 3.08Å
366	F	97.2	Very high	97.2	Very high	26 Å²	26	39.7 Å²	39.7	11%	0.114	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-48.4	175.2	168.6	-106.7	0	0	0	112.4	R362 L363 L364 E369 Y370 V459 F463	R362-F366 PolarHBondContact O-N 3.44Å; R362-F366 VanDerWaalsContact O-N 3.1Å; L363-F366 WeakPolarHBondContact O-CB 3.07Å; L363-F366 PolarHBondContact O-N 2.97Å; L363-F366 VanDerWaalsContact O-N 3.16Å; L364-F366 VanDerWaalsContact C-N 3.34Å; L364-F366 PolarHBondContact O-N 3.15Å; F366-E369 PolarHBondContact O-N 3.1Å; F366-Y370 HydrophobicContact CE2-CD2 4.29Å; F366-Y370 HydrophobicContact CZ-CD2 4.03Å; F366-Y370 HydrophobicContact CZ-CG 4.35Å; F366-Y370 WeakPolarHBondContact O-CB 3.31Å; F366-Y370 PolarHBondContact O-N 3.12Å; F366-V459 HydrophobicContact CZ-CG1 4.04Å; F366-F463 HydrophobicContact CB-CD1 3.74Å; F366-F463 HydrophobicContact CB-CD2 4.42Å; F366-F463 HydrophobicContact CB-CE1 3.55Å; F366-F463 HydrophobicContact CB-CE2 4.25Å; F366-F463 HydrophobicContact CB-CG 4.17Å; F366-F463 HydrophobicContact CB-CZ 3.82Å; F366-F463 HydrophobicContact CD1-CB 4.48Å; F366-F463 HydrophobicContact CD1-CD1 4.32Å; F366-F463 HydrophobicContact CD1-CG 4.37Å; F366-F463 HydrophobicContact CD2-CB 3.99Å; F366-F463 AromaticContact CD2-CD1 4Å; F366-F463 HydrophobicContact CD2-CD1 4Å; F366-F463 AromaticContact CD2-CD2 3.46Å; F366-F463 HydrophobicContact CD2-CD2 3.46Å; F366-F463 VanDerWaalsContact CD2-CD2 3.46Å; F366-F463 HydrophobicContact CD2-CE1 4.37Å; F366-F463 AromaticContact CD2-CE2 3.87Å; F366-F463 HydrophobicContact CD2-CE2 3.87Å; F366-F463 AromaticContact CD2-CG 3.52Å; F366-F463 HydrophobicContact CD2-CG 3.52Å; F366-F463 HydrophobicContact CD2-CZ 4.31Å; F366-F463 HydrophobicContact CE1-CB 4.43Å; F366-F463 HydrophobicContact CE2-CB 3.94Å; F366-F463 AromaticContact CE2-CD2 3.97Å; F366-F463 HydrophobicContact CE2-CD2 3.97Å; F366-F463 AromaticContact CE2-CG 3.97Å; F366-F463 HydrophobicContact CE2-CG 3.97Å; F366-F463 HydrophobicContact CG-CB 4.27Å; F366-F463 AromaticContact CG-CD1 3.74Å; F366-F463 HydrophobicContact CG-CD1 3.74Å; F366-F463 HydrophobicContact CG-CD2 4.08Å; F366-F463 HydrophobicContact CG-CE1 4.07Å; F366-F463 HydrophobicContact CG-CE2 4.37Å; F366-F463 AromaticContact CG-CG 3.75Å; F366-F463 HydrophobicContact CG-CG 3.75Å; F366-F463 HydrophobicContact CG-CZ 4.36Å; F366-F463 HydrophobicContact CZ-CB 4.17Å
367	Y	97.8	Very high	97.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71	-33.6	-179.1	-73.8	-53.5	0	0	0	112.8	L363 L364 E369 Y370 F371 V426 I429 C430 W433 F456	L363-Y367 HydrophobicContact CD2-CE2 4.39Å; L363-Y367 WeakPolarHBondContact O-CD2 3.41Å; L363-Y367 PolarHBondContact O-N 3.21Å; L364-Y367 PolarHBondContact O-N 3.49Å; Y367-E369 VanDerWaalsContact C-N 3.29Å; Y367-E369 PolarHBondContact O-N 3.29Å; Y367-Y370 PolarHBondContact O-N 3.49Å; Y367-F371 HydrophobicContact CD1-CD2 4.01Å; Y367-F371 AromaticContact CD1-CE2 3.24Å; Y367-F371 HydrophobicContact CD1-CE2 3.24Å; Y367-F371 AromaticContact CD1-CZ 3.67Å; Y367-F371 HydrophobicContact CD1-CZ 3.67Å; Y367-F371 AromaticContact CE1-CE2 3.97Å; Y367-F371 HydrophobicContact CE1-CE2 3.97Å; Y367-F371 HydrophobicContact CE1-CZ 4.02Å; Y367-F371 HydrophobicContact CG-CD2 4.33Å; Y367-F371 AromaticContact CG-CE2 3.81Å; Y367-F371 HydrophobicContact CG-CE2 3.81Å; Y367-F371 WeakPolarHBondContact O-CB 3.27Å; Y367-F371 WeakPolarHBondContact O-CD2 3.08Å; Y367-F371 PolarHBondContact O-N 2.96Å; Y367-V426 HydrophobicContact CE2-CG1 4.36Å; Y367-V426 WeakPolarHBondContact OH-CG1 3.34Å; Y367-I429 HydrophobicContact CD2-CG2 3.94Å; Y367-I429 HydrophobicContact CE2-CB 4.39Å; Y367-I429 HydrophobicContact CE2-CG2 4.25Å; Y367-C430 HydrophobicContact CE1-CB 4.45Å; Y367-C430 HydrophobicContact CE2-CB 4.14Å; Y367-W433 HydrophobicContact CD2-CZ3 4.38Å; Y367-W433 HydrophobicContact CG-CZ3 4.33Å; Y367-F456 HydrophobicContact CE1-CB 4.09Å; Y367-F456 HydrophobicContact CE1-CD1 4.04Å; Y367-F456 HydrophobicContact CE1-CG 4.31Å; Y367-F456 PolarHBondContact OH-O 3.42Å
368	E	96.8	Very high	97.2	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-58.7	-42.5	169.4	-72.5	-179.7	144.7	0	0	111.5	L364 K372 Y375 W433	L364-E368 WeakPolarHBondContact O-CB 3.37Å; L364-E368 VanDerWaalsContact O-CG 3.26Å; L364-E368 WeakPolarHBondContact O-CG 3.4Å; L364-E368 PolarHBondContact O-N 3.5Å; E368-K372 VanDerWaalsContact O-CA 3.26Å; E368-K372 WeakPolarHBondContact O-CA 3.46Å; E368-K372 PolarHBondContact O-N 2.85Å; E368-Y375 PolarHBondContact OE1-N 3.44Å; E368-W433 HydrophobicContact CG-CH2 4.16Å; E368-W433 HydrophobicContact CG-CZ2 3.76Å
369	E	96.4	Very high	97.3	Very high	130 Å²	130	37.9 Å²	37.9	61%	0.607	19%	0.186	S	C	*	.	H	α-helix	trans	-73.6	-40.5	178.2	-173.7	177.3	175.2	0	0	112.7	G365 F366 Y367 K372	G365-E369 WeakPolarHBondContact O-CB 3.45Å; G365-E369 PolarHBondContact O-N 3.26Å; G365-E369 VanDerWaalsContact O-N 3.08Å; F366-E369 PolarHBondContact O-N 3.1Å; Y367-E369 VanDerWaalsContact C-N 3.29Å; Y367-E369 PolarHBondContact O-N 3.29Å; E369-K372 WeakPolarHBondContact O-CD 3.3Å; E369-K372 WeakPolarHBondContact O-CE 3.39Å; E369-K372 PolarHBondContact O-NZ 2.9Å
370	Y	97.3	Very high	97.3	Very high	25 Å²	25	37.8 Å²	37.8	10%	0.098	19%	0.186	C	C	.	.	H	α-helix	trans	-72.4	-49.5	-178	-171.4	-80.5	0	0	0	110.9	F366 Y367 K372 F456 Q530 Q534	F366-Y370 HydrophobicContact CE2-CD2 4.29Å; F366-Y370 HydrophobicContact CZ-CD2 4.03Å; F366-Y370 HydrophobicContact CZ-CG 4.35Å; F366-Y370 WeakPolarHBondContact O-CB 3.31Å; F366-Y370 PolarHBondContact O-N 3.12Å; Y367-Y370 PolarHBondContact O-N 3.49Å; Y370-K372 VanDerWaalsContact C-N 3.31Å; Y370-K372 PolarHBondContact O-N 3.46Å; Y370-F456 AromaticContact CD1-CE1 3.86Å; Y370-F456 HydrophobicContact CD1-CE1 3.86Å; Y370-F456 HydrophobicContact CD1-CZ 4.24Å; Y370-F456 AromaticContact CE1-CE1 3.34Å; Y370-F456 HydrophobicContact CE1-CE1 3.34Å; Y370-F456 AromaticContact CE1-CZ 3.49Å; Y370-F456 HydrophobicContact CE1-CZ 3.49Å; Y370-F456 VanDerWaalsContact CE1-CZ 3.49Å; Y370-F456 HydrophobicContact CE2-CE1 4.45Å; Y370-F456 AromaticContact CZ-CE1 3.67Å; Y370-Q530 PolarHBondContact OH-OE1 3.16Å; Y370-Q534 HydrophobicContact CD1-CG 4.47Å; Y370-Q534 HydrophobicContact CE1-CG 4.25Å; Y370-Q534 VanDerWaalsContact O-CG 3.26Å; Y370-Q534 WeakPolarHBondContact O-CG 3.42Å; Y370-Q534 PolarHBondContact O-NE2 3.28Å
371	F	97.6	Very high	97.3	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-80.7	-12.7	-179.5	-60.2	-45.9	0	0	0	113.4	Y367 V373 W433 F434 F456 L537 N538 L541	Y367-F371 HydrophobicContact CD1-CD2 4.01Å; Y367-F371 AromaticContact CD1-CE2 3.24Å; Y367-F371 HydrophobicContact CD1-CE2 3.24Å; Y367-F371 AromaticContact CD1-CZ 3.67Å; Y367-F371 HydrophobicContact CD1-CZ 3.67Å; Y367-F371 AromaticContact CE1-CE2 3.97Å; Y367-F371 HydrophobicContact CE1-CE2 3.97Å; Y367-F371 HydrophobicContact CE1-CZ 4.02Å; Y367-F371 HydrophobicContact CG-CD2 4.33Å; Y367-F371 AromaticContact CG-CE2 3.81Å; Y367-F371 HydrophobicContact CG-CE2 3.81Å; Y367-F371 WeakPolarHBondContact O-CB 3.27Å; Y367-F371 WeakPolarHBondContact O-CD2 3.08Å; Y367-F371 PolarHBondContact O-N 2.96Å; F371-V373 PolarHBondContact O-N 2.97Å; F371-W433 HydrophobicContact CD2-CB 4.07Å; F371-W433 AromaticContact CD2-CD1 3.95Å; F371-W433 AromaticContact CD2-CD2 3.85Å; F371-W433 HydrophobicContact CD2-CD2 3.85Å; F371-W433 HydrophobicContact CD2-CE3 4.38Å; F371-W433 AromaticContact CD2-CG 3.69Å; F371-W433 HydrophobicContact CD2-CG 3.69Å; F371-W433 HydrophobicContact CE2-CB 4.25Å; F371-W433 HydrophobicContact CE2-CD2 4.34Å; F371-W433 HydrophobicContact CE2-CE3 4.49Å; F371-W433 HydrophobicContact CE2-CG 4.25Å; F371-W433 HydrophobicContact CG-CG 4.49Å; F371-F434 AromaticContact CD1-CE2 3.95Å; F371-F434 HydrophobicContact CD1-CE2 3.95Å; F371-F434 HydrophobicContact CE1-CD2 4.39Å; F371-F434 AromaticContact CE1-CE2 3.48Å; F371-F434 HydrophobicContact CE1-CE2 3.48Å; F371-F434 VanDerWaalsContact CE1-CE2 3.48Å; F371-F434 HydrophobicContact CE1-CZ 4.27Å; F371-F434 HydrophobicContact CE2-CD2 4.32Å; F371-F434 HydrophobicContact CE2-CE2 4.07Å; F371-F434 HydrophobicContact CG-CE2 4.49Å; F371-F434 HydrophobicContact CZ-CD2 4.01Å; F371-F434 AromaticContact CZ-CE2 3.55Å; F371-F434 HydrophobicContact CZ-CE2 3.55Å; F371-F456 HydrophobicContact CE1-CD1 4.36Å; F371-F456 HydrophobicContact CE1-CD2 4.31Å; F371-F456 AromaticContact CE1-CE1 3.86Å; F371-F456 HydrophobicContact CE1-CE1 3.86Å; F371-F456 AromaticContact CE1-CE2 3.8Å; F371-F456 HydrophobicContact CE1-CE2 3.8Å; F371-F456 AromaticContact CE1-CZ 3.56Å; F371-F456 HydrophobicContact CE1-CZ 3.56Å; F371-F456 HydrophobicContact CZ-CD1 4.05Å; F371-F456 HydrophobicContact CZ-CD2 4.02Å; F371-F456 HydrophobicContact CZ-CE1 4.02Å; F371-F456 AromaticContact CZ-CE2 3.99Å; F371-F456 HydrophobicContact CZ-CE2 3.99Å; F371-F456 HydrophobicContact CZ-CG 4.07Å; F371-F456 HydrophobicContact CZ-CZ 4.01Å; F371-L537 HydrophobicContact CE1-CD1 4.38Å; F371-N538 PolarHBondContact O-ND2 3.23Å; F371-L541 HydrophobicContact CB-CD1 3.76Å; F371-L541 HydrophobicContact CD1-CD1 4.13Å; F371-L541 HydrophobicContact CG-CD1 3.92Å
372	K	97.3	Very high	97.4	Very high	119 Å²	119	33.9 Å²	33.9	52%	0.517	17%	0.169	S	C	.	.	S	Bend	trans	54.6	33.8	-174.2	-55.1	-65.7	-178.9	-150.8	0	112.2	E368 E369 Y370 N538	E368-K372 VanDerWaalsContact O-CA 3.26Å; E368-K372 WeakPolarHBondContact O-CA 3.46Å; E368-K372 PolarHBondContact O-N 2.85Å; E369-K372 WeakPolarHBondContact O-CD 3.3Å; E369-K372 WeakPolarHBondContact O-CE 3.39Å; E369-K372 PolarHBondContact O-NZ 2.9Å; Y370-K372 VanDerWaalsContact C-N 3.31Å; Y370-K372 PolarHBondContact O-N 3.46Å; K372-N538 WeakPolarHBondContact CB-ND2 3.3Å; K372-N538 PolarHBondContact O-ND2 3.4Å
373	V	97.1	Very high	97.4	Very high	9 Å²	9	29.2 Å²	29.2	6%	0.055	15%	0.151	C	C	.	.			trans	-134.3	125.7	177.6	176.4	0	0	0	0	107.5	F371 W433 L437 L541 L542	F371-V373 PolarHBondContact O-N 2.97Å; V373-W433 PolarHBondContact O-NE1 3.34Å; V373-L437 HydrophobicContact CG1-CD2 3.71Å; V373-L541 HydrophobicContact CG2-CB 4.06Å; V373-L541 HydrophobicContact CG2-CD1 4.48Å; V373-L542 HydrophobicContact CG2-CD2 3.96Å; V373-L542 HydrophobicContact CG2-CG 4.17Å
374	Q	96.4	Very high	97.4	Very high	116 Å²	116	29.2 Å²	29.2	54%	0.542	15%	0.151	S	C	.	.			trans	-70.4	152.8	-178.1	-62	-64.1	-66.3	0	0	111.9
375	Y	97.3	Very high	97.3	Very high	17 Å²	17	29.2 Å²	29.2	7%	0.067	15%	0.151	C	C	.	.			trans	-63.4	138.1	168.6	178.8	-110.3	0	0	0	110.3	V337 L364 E368 L377 K379 L380 Q432	V337-Y375 HydrophobicContact CB-CD1 4.45Å; V337-Y375 HydrophobicContact CG1-CD1 3.71Å; V337-Y375 HydrophobicContact CG1-CE1 3.69Å; V337-Y375 HydrophobicContact CG2-CD1 3.89Å; L364-Y375 HydrophobicContact CD1-CD2 3.93Å; L364-Y375 HydrophobicContact CD1-CG 3.98Å; L364-Y375 HydrophobicContact CD2-CD1 4.09Å; L364-Y375 HydrophobicContact CD2-CG 4.06Å; L364-Y375 HydrophobicContact CG-CG 4.39Å; E368-Y375 PolarHBondContact OE1-N 3.44Å; Y375-L377 HydrophobicContact CD1-CB 4.47Å; Y375-L377 WeakPolarHBondContact CD1-O 3.41Å; Y375-L377 HydrophobicContact CE1-CB 3.62Å; Y375-L377 HydrophobicContact CE1-CG 4.49Å; Y375-L377 WeakPolarHBondContact CE1-O 3.1Å; Y375-K379 WeakPolarHBondContact CE1-O 3.18Å; Y375-K379 PolarHBondContact OH-O 2.89Å; Y375-L380 HydrophobicContact CE1-CB 4.38Å; Y375-Q432 HydrophobicContact CD2-CB 4.07Å; Y375-Q432 HydrophobicContact CD2-CG 4.46Å; Y375-Q432 HydrophobicContact CE2-CB 3.94Å; Y375-Q432 HydrophobicContact CE2-CG 3.98Å
376	S	95.6	Very high	97	Very high	32 Å²	32	28.6 Å²	28.6	22%	0.224	14%	0.142	C	C	.	.			trans	-92	-11.8	-163.5	-61.3	0	0	0	0	115.2	Y546	S376-Y546 WeakPolarHBondContact CB-OH 3.46Å; S376-Y546 PolarHBondContact OG-OH 3.03Å
377	L	97.9	Very high	96.5	Very high	9 Å²	9	28.3 Å²	28.3	5%	0.047	14%	0.141	C	C	.	.	S	Bend	trans	-114.1	155.1	-174.4	-54.6	-173.8	0	0	0	112	M291 P312 Y375 K379 W396	M291-L377 HydrophobicContact CE-CD2 4.5Å; M291-L377 HydrophobicContact SD-CD1 4.36Å; M291-L377 HydrophobicContact SD-CD2 3.79Å; P312-L377 HydrophobicContact CG-CD2 3.44Å; P312-L377 VanDerWaalsContact CG-CD2 3.44Å; Y375-L377 HydrophobicContact CD1-CB 4.47Å; Y375-L377 WeakPolarHBondContact CD1-O 3.41Å; Y375-L377 HydrophobicContact CE1-CB 3.62Å; Y375-L377 HydrophobicContact CE1-CG 4.49Å; Y375-L377 WeakPolarHBondContact CE1-O 3.1Å; L377-K379 PolarHBondContact O-N 3.03Å; L377-W396 HydrophobicContact CD1-CB 4.43Å; L377-W396 VanDerWaalsContact CD1-CD1 3.44Å; L377-W396 HydrophobicContact CD1-CD2 4.35Å; L377-W396 HydrophobicContact CD1-CG 3.79Å
378	P	97.9	Very high	96.1	Very high	72 Å²	72	28.6 Å²	28.6	47%	0.468	14%	0.142	S	C	.	.	S	Bend	trans	-72.7	-14.4	179.1	29.9	-36.7	0	0	0	113.6	M291 P292 A338	M291-P378 HydrophobicContact CE-CG 4.41Å; P292-P378 HydrophobicContact CG-CG 3.85Å; A338-P378 PolarHBondContact N-O 2.6Å; A338-P378 VanDerWaalsContact N-O 3.12Å
379	K	98.4	Very high	95.6	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.026	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161.5	-178.7	67.8	92	177.4	177.2	0	112.6	S289 N290 A338 Y375 L377 D381 G397	S289-K379 PolarHBondContact O-NZ 3.21Å; N290-K379 WeakPolarHBondContact O-CE 3.47Å; N290-K379 PolarHBondContact O-NZ 3.21Å; A338-K379 HydrophobicContact CB-CB 4.15Å; A338-K379 CarbonylContact O-C 3.55Å; A338-K379 WeakPolarHBondContact O-CA 3.21Å; A338-K379 WeakPolarHBondContact O-CB 3.22Å; Y375-K379 WeakPolarHBondContact CE1-O 3.18Å; Y375-K379 PolarHBondContact OH-O 2.89Å; L377-K379 PolarHBondContact O-N 3.03Å; K379-D381 WeakPolarHBondContact CD-OD2 3.46Å; K379-D381 WeakPolarHBondContact CE-OD2 3.45Å; K379-D381 IonicContact NZ-OD2 3.14Å; K379-D381 PolarHBondContact NZ-OD2 3.26Å; K379-G397 PolarHBondContact NZ-O 2.98Å
380	L	98.6	Very high	95.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	112.6	169.5	178.4	58.9	0	0	0	109.4	A338 I339 R340 T360 L364 Y375 L382 I429	A338-L380 PolarHBondContact O-N 3.48Å; I339-L380 VanDerWaalsContact CA-O 3.27Å; I339-L380 WeakPolarHBondContact CA-O 3.25Å; R340-L380 PolarHBondContact N-O 3.35Å; T360-L380 HydrophobicContact CG2-CD2 4.08Å; L364-L380 HydrophobicContact CD1-CD2 4.45Å; Y375-L380 HydrophobicContact CE1-CB 4.38Å; L380-L382 HydrophobicContact CG-CD2 4.36Å; L380-I429 HydrophobicContact CD2-CD1 3.58Å
381	D	98.8	Very high	94.9	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136.8	176.2	-63.6	-24.5	0	0	0	109.7	R340 Y342 K379 G397 L398 S399	R340-D381 WeakPolarHBondContact CB-OD1 3.22Å; R340-D381 WeakPolarHBondContact CD-OD1 3.09Å; R340-D381 CarbonylContact O-C 3.56Å; R340-D381 WeakPolarHBondContact O-CA 3.42Å; Y342-D381 HydrophobicContact CD2-CB 4.13Å; Y342-D381 HydrophobicContact CE2-CB 4.04Å; K379-D381 WeakPolarHBondContact CD-OD2 3.46Å; K379-D381 WeakPolarHBondContact CE-OD2 3.45Å; K379-D381 IonicContact NZ-OD2 3.14Å; K379-D381 PolarHBondContact NZ-OD2 3.26Å; D381-G397 PolarHBondContact N-O 2.03Å; D381-L398 HydrophobicContact CB-CD1 3.59Å; D381-L398 CarbonylContact O-C 3.57Å; D381-L398 WeakPolarHBondContact O-CA 3.33Å; D381-S399 PolarHBondContact O-N 3.33Å
382	L	98.7	Very high	94.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.2	172.6	-47.4	173.5	0	0	0	108	R340 L341 Y342 T360 L380 S399 F401 I406 I429	R340-L382 PolarHBondContact O-N 2.03Å; L341-L382 CarbonylContact C-O 3.48Å; L341-L382 WeakPolarHBondContact CA-O 3.14Å; L341-L382 HydrophobicContact CG-CB 4.49Å; Y342-L382 PolarHBondContact N-O 3.06Å; T360-L382 HydrophobicContact CG2-CD1 4.18Å; T360-L382 HydrophobicContact CG2-CD2 4.49Å; T360-L382 WeakPolarHBondContact OG1-CD1 3.2Å; L380-L382 HydrophobicContact CG-CD2 4.36Å; L382-S399 CarbonylContact C-O 3.6Å; L382-S399 WeakPolarHBondContact CA-O 3.42Å; L382-F401 HydrophobicContact CB-CD2 4.47Å; L382-F401 HydrophobicContact CB-CE2 4.15Å; L382-F401 HydrophobicContact CD2-CE2 3.81Å; L382-F401 HydrophobicContact CD2-CZ 4.27Å; L382-I406 HydrophobicContact CB-CD1 3.66Å; L382-I406 HydrophobicContact CD1-CD1 4.1Å; L382-I406 HydrophobicContact CG-CD1 4.43Å; L382-I429 HydrophobicContact CD2-CD1 4.29Å
383	L	98.6	Very high	94.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.6	-175.3	-179.6	63.8	0	0	0	110.8	V251 L288 A322 F326 V385 L398 S399 V400 F401	V251-L383 HydrophobicContact CG2-CD2 3.98Å; L288-L383 HydrophobicContact CD1-CD1 4.01Å; A322-L383 HydrophobicContact CB-CD2 3.6Å; F326-L383 HydrophobicContact CD2-CD1 3.61Å; F326-L383 HydrophobicContact CE2-CD1 3.92Å; L383-V385 HydrophobicContact CD2-CG1 3.96Å; L383-V385 HydrophobicContact CG-CG1 3.8Å; L383-V385 PolarHBondContact O-N 2.72Å; L383-L398 HydrophobicContact CB-CD1 4.15Å; L383-S399 PolarHBondContact N-O 3Å; L383-V400 HydrophobicContact CB-CG2 4.49Å; L383-V400 HydrophobicContact CD2-CG2 4.32Å; L383-V400 CarbonylContact O-C 3.59Å; L383-F401 PolarHBondContact O-N 3.43Å
384	A	97.5	Very high	94.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	102.9	177.4	0	0	0	0	0	110.9	F326 Y342 A343 F401 E403 I406 L407	F326-A384 WeakPolarHBondContact CE2-O 3.5Å; Y342-A384 PolarHBondContact O-N 3.46Å; A343-A384 HydrophobicContact CB-CB 3.87Å; A384-F401 CarbonylContact C-O 3.52Å; A384-F401 WeakPolarHBondContact CA-O 3.42Å; A384-E403 HydrophobicContact CB-CG 4.4Å; A384-I406 HydrophobicContact CB-CG2 3.36Å; A384-L407 HydrophobicContact CB-CD1 4.46Å; A384-L407 HydrophobicContact CB-CD2 4.08Å; A384-L407 HydrophobicContact CB-CG 4.19Å
385	V	95.1	Very high	94.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	148	-178.9	-61.2	0	0	0	0	112.8	L249 V251 L383 K387 H388 V400 F401 V402 E403	L249-V385 HydrophobicContact CD1-CB 4.3Å; L249-V385 HydrophobicContact CD1-CG1 3.89Å; V251-V385 HydrophobicContact CG1-CG1 4.48Å; V251-V385 HydrophobicContact CG2-CG1 4.31Å; L383-V385 HydrophobicContact CD2-CG1 3.96Å; L383-V385 HydrophobicContact CG-CG1 3.8Å; L383-V385 PolarHBondContact O-N 2.72Å; V385-K387 VanDerWaalsContact C-N 3.26Å; V385-K387 WeakPolarHBondContact CG2-O 3.4Å; V385-K387 PolarHBondContact O-N 3.33Å; V385-H388 HydrophobicContact CG2-CB 3.89Å; V385-V400 HydrophobicContact CG1-CG1 3.98Å; V385-V400 HydrophobicContact CG2-CG1 3.72Å; V385-F401 WeakPolarHBondContact CG2-O 3.44Å; V385-F401 PolarHBondContact N-O 3.49Å; V385-V402 CarbonylContact O-C 3.57Å; V385-V402 WeakPolarHBondContact O-CA 3.47Å; V385-E403 PolarHBondContact O-N 3.25Å
386	P	89.8	Confident	94.9	Very high	17 Å²	17	13 Å²	13	11%	0.11	8%	0.08	C	C	.	.	S	Bend	trans	-68.6	-18.1	179.8	-20.8	31.4	0	0	0	115.2	Y240 L249 Q903	Y240-P386 HydrophobicContact CD1-CG 4.39Å; Y240-P386 HydrophobicContact CG-CG 4.48Å; L249-P386 HydrophobicContact CD2-CG 4.23Å; P386-Q903 PolarHBondContact O-NE2 2.91Å; P386-Q903 PolarHBondContact O-OE1 2.86Å
387	K	86.8	Confident	95	Very high	21 Å²	21	11.4 Å²	11.4	9%	0.091	7%	0.07	C	C	.	.			trans	-152.6	128.1	-173.7	174.7	-176.6	172.1	-169	0	109	D230 L232 S238 V385 E902	D230-K387 PolarHBondContact O-NZ 3.38Å; D230-K387 IonicContact OD1-NZ 2.96Å; D230-K387 PolarHBondContact OD1-NZ 2.96Å; L232-K387 HydrophobicContact CD2-CD 3.87Å; L232-K387 HydrophobicContact CD2-CG 3.41Å; L232-K387 VanDerWaalsContact CD2-CG 3.41Å; S238-K387 WeakPolarHBondContact OG-CB 3.4Å; V385-K387 VanDerWaalsContact C-N 3.26Å; V385-K387 WeakPolarHBondContact CG2-O 3.4Å; V385-K387 PolarHBondContact O-N 3.33Å; K387-E902 WeakPolarHBondContact CE-OE2 3.42Å; K387-E902 IonicContact NZ-OE2 3.53Å; K387-E902 PolarHBondContact NZ-OE2 2.93Å
388	H	89.3	Confident	95.1	Very high	6 Å²	6	11 Å²	11	3%	0.028	7%	0.068	C	C	.	.			trans	-157.2	148.8	178	-163.9	-102.2	0	0	0	109.7	Q253 V385 Y390 V402	Q253-H388 PolarHBondContact OE1-CE1 3.24Å; Q253-H388 PolarHBondContact OE1-NE2 2.89Å; V385-H388 HydrophobicContact CG2-CB 3.89Å; H388-Y390 VanDerWaalsContact C-N 3.27Å; H388-Y390 PolarHBondContact ND1-N 2.97Å; H388-Y390 PolarHBondContact ND1-O 3.36Å; H388-Y390 PolarHBondContact O-N 2.96Å; H388-V402 HydrophobicContact CB-CG1 3.41Å; H388-V402 VanDerWaalsContact CB-CG1 3.41Å
389	P	85.1	Confident	95.1	Very high	8 Å²	8	7.6 Å²	7.6	5%	0.052	5%	0.045	C	C	.	.	S	Bend	trans	-72.6	-21.2	-178.4	27.2	-32.4	0	0	0	114	L232 L233 Q253 A940 M943	L232-P389 HydrophobicContact CB-CB 3.86Å; L232-P389 HydrophobicContact CB-CG 4.04Å; L232-P389 HydrophobicContact CD1-CB 4.17Å; L232-P389 WeakPolarHBondContact O-CD 3.35Å; L232-P389 WeakPolarHBondContact O-CG 3.42Å; L233-P389 HydrophobicContact CD2-CB 4.49Å; L233-P389 HydrophobicContact CD2-CG 4.09Å; Q253-P389 HydrophobicContact CB-CG 4.47Å; Q253-P389 HydrophobicContact CG-CG 3.76Å; P389-A940 HydrophobicContact CB-CB 4.2Å; P389-M943 HydrophobicContact CB-SD 4.24Å; P389-M943 WeakPolarHBondContact O-CG 3.35Å
390	Y	88.4	Confident	95.1	Very high	31 Å²	31	7.4 Å²	7.4	12%	0.122	5%	0.045	C	C	.	.	S	Bend	trans	-120	161.5	-179.3	-51	-56.3	0	0	0	110.3	Q253 H388 A392 V402 F942	Q253-Y390 HydrophobicContact CG-CD2 4.25Å; Q253-Y390 HydrophobicContact CG-CE2 3.96Å; Q253-Y390 VanDerWaalsContact NE2-CE2 3.3Å; H388-Y390 VanDerWaalsContact C-N 3.27Å; H388-Y390 PolarHBondContact ND1-N 2.97Å; H388-Y390 PolarHBondContact ND1-O 3.36Å; H388-Y390 PolarHBondContact O-N 2.96Å; Y390-A392 VanDerWaalsContact CB-O 3.28Å; Y390-A392 WeakPolarHBondContact CB-O 3.34Å; Y390-A392 PolarHBondContact O-N 3.32Å; Y390-V402 WeakPolarHBondContact O-CG1 3.3Å; Y390-F942 HydrophobicContact CD1-CB 4.39Å; Y390-F942 AromaticContact CD1-CD2 3.8Å; Y390-F942 HydrophobicContact CD1-CD2 3.8Å; Y390-F942 HydrophobicContact CE1-CB 4.41Å; Y390-F942 AromaticContact CE1-CD2 3.67Å; Y390-F942 HydrophobicContact CE1-CD2 3.67Å
391	A	91.1	Very high	95	Very high	43 Å²	43	7.4 Å²	7.4	36%	0.355	5%	0.045	S	C	.	.	S	Bend	trans	-56.3	-41	173.4	0	0	0	0	0	111.5	V402 K405 V424	A391-V402 PolarHBondContact O-N 3.44Å; A391-K405 HydrophobicContact CB-CG 4.05Å; A391-V424 HydrophobicContact CB-CG1 4.4Å; A391-V424 HydrophobicContact CB-CG2 4.48Å
392	A	95.9	Very high	94.8	Very high	10 Å²	10	7.8 Å²	7.8	8%	0.083	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	175.5	172.7	0	0	0	0	0	111	Y390 V400 F401 V424 E428	Y390-A392 VanDerWaalsContact CB-O 3.28Å; Y390-A392 WeakPolarHBondContact CB-O 3.34Å; Y390-A392 PolarHBondContact O-N 3.32Å; A392-V400 CarbonylContact C-O 3.59Å; A392-V400 WeakPolarHBondContact CA-O 3.25Å; A392-V400 VanDerWaalsContact CB-O 3.29Å; A392-V400 WeakPolarHBondContact CB-O 3.35Å; A392-F401 HydrophobicContact CB-CB 4.45Å; A392-F401 HydrophobicContact CB-CD1 3.42Å; A392-F401 VanDerWaalsContact CB-CD1 3.42Å; A392-F401 HydrophobicContact CB-CE1 3.69Å; A392-F401 HydrophobicContact CB-CG 3.91Å; A392-F401 HydrophobicContact CB-CZ 4.39Å; A392-V424 HydrophobicContact CB-CG1 3.83Å; A392-E428 VanDerWaalsContact CB-CD 3.46Å; A392-E428 HydrophobicContact CB-CG 3.5Å; A392-E428 WeakPolarHBondContact CB-OE1 3.27Å
393	M	96.6	Very high	94.6	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.02	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	135.5	172.4	176	71.1	-146	0	0	109.3	Q253 S255 Y317 Y318 N395 S399 V400 E428	Q253-M393 PolarHBondContact NE2-SD 3.23Å; Q253-M393 VanDerWaalsContact NE2-SD 3.4Å; Q253-M393 VanDerWaalsContact OE1-CB 3.23Å; S255-M393 WeakPolarHBondContact CB-SD 3.2Å; Y317-M393 HydrophobicContact CD2-CE 3.92Å; Y317-M393 HydrophobicContact CE2-CE 4.24Å; Y318-M393 HydrophobicContact CD1-CE 4.21Å; Y318-M393 HydrophobicContact CE1-CE 4.27Å; M393-N395 WeakPolarHBondContact CG-OD1 3.43Å; M393-N395 PolarHBondContact O-N 3.26Å; M393-N395 PolarHBondContact O-OD1 3.45Å; M393-S399 CarbonylContact O-C 3.52Å; M393-S399 VanDerWaalsContact O-CA 3.31Å; M393-S399 WeakPolarHBondContact O-CA 3.43Å; M393-V400 PolarHBondContact N-O 3.16Å; M393-V400 PolarHBondContact O-N 3.5Å; M393-E428 VanDerWaalsContact C-OE2 3.25Å
394	E	96.9	Very high	94.2	Very high	7 Å²	7	9.5 Å²	9.5	3%	0.033	6%	0.055	C	C	.	.			trans	-81.9	21.2	-167.2	70.2	-95.2	-151.4	0	0	114.5	Y318 W396 E428 H431 Q432 K449	Y318-E394 HydrophobicContact CD1-CG 4.21Å; Y318-E394 HydrophobicContact CE1-CG 3.54Å; E394-W396 PolarHBondContact O-N 3.19Å; E394-W396 VanDerWaalsContact O-N 3.11Å; E394-E428 VanDerWaalsContact CA-OE2 3.24Å; E394-E428 WeakPolarHBondContact CA-OE2 3.38Å; E394-E428 VanDerWaalsContact CB-OE2 3.31Å; E394-E428 WeakPolarHBondContact CB-OE2 3.35Å; E394-E428 PolarHBondContact N-OE2 2.95Å; E394-H431 HydrophobicContact CB-CB 3.35Å; E394-H431 HydrophobicContact CG-CB 3.62Å; E394-Q432 PolarHBondContact O-NE2 3.01Å; E394-K449 IonicContact OE1-NZ 2.73Å; E394-K449 PolarHBondContact OE1-NZ 3.39Å; E394-K449 IonicContact OE2-NZ 3.68Å
395	N	98.4	Very high	94.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.064	C	C	.	.			trans	-48.8	123.8	-167.6	-47.4	89	0	0	0	111.6	Y318 A320 M393 G397 L398 S399	Y318-N395 WeakPolarHBondContact O-CB 3.25Å; A320-N395 HydrophobicContact CB-CB 3.51Å; M393-N395 WeakPolarHBondContact CG-OD1 3.43Å; M393-N395 PolarHBondContact O-N 3.26Å; M393-N395 PolarHBondContact O-OD1 3.45Å; N395-G397 PolarHBondContact O-N 2.81Å; N395-L398 WeakPolarHBondContact CB-O 3.45Å; N395-L398 CarbonylContact O-C 3.58Å; N395-L398 PolarHBondContact O-N 2.69Å; N395-S399 PolarHBondContact O-N 2.98Å
396	W	98.2	Very high	94.1	Very high	1 Å²	1	11.4 Å²	11.4	0%	0.004	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	110.2	-163.2	-159.9	4.9	0	0	0	112.4	N290 P312 M314 L377 E394 Q432 D436 L437 Y546	N290-W396 WeakPolarHBondContact CA-O 3.32Å; N290-W396 WeakPolarHBondContact CB-O 3.32Å; N290-W396 PolarHBondContact ND2-O 2.84Å; P312-W396 HydrophobicContact CB-CH2 4.47Å; P312-W396 HydrophobicContact CB-CZ3 4.41Å; M314-W396 HydrophobicContact CB-CE3 3.63Å; M314-W396 HydrophobicContact CB-CZ3 3.81Å; M314-W396 HydrophobicContact SD-CE3 4.23Å; L377-W396 HydrophobicContact CD1-CB 4.43Å; L377-W396 VanDerWaalsContact CD1-CD1 3.44Å; L377-W396 HydrophobicContact CD1-CD2 4.35Å; L377-W396 HydrophobicContact CD1-CG 3.79Å; E394-W396 PolarHBondContact O-N 3.19Å; E394-W396 VanDerWaalsContact O-N 3.11Å; W396-Q432 VanDerWaalsContact CD1-OE1 3.29Å; W396-D436 WeakPolarHBondContact CA-OD2 3.48Å; W396-D436 HydrophobicContact CB-CB 4.25Å; W396-D436 WeakPolarHBondContact CB-OD2 3.39Å; W396-D436 VanDerWaalsContact CD1-OD2 3.27Å; W396-D436 HydrophobicContact CD2-CB 3.66Å; W396-D436 HydrophobicContact CE3-CB 4.05Å; W396-D436 HydrophobicContact CG-CB 3.77Å; W396-D436 HydrophobicContact CZ2-CB 4.33Å; W396-L437 HydrophobicContact CH2-CB 4.44Å; W396-L437 HydrophobicContact CH2-CD1 4.07Å; W396-L437 HydrophobicContact CZ2-CB 4.3Å; W396-L437 HydrophobicContact CZ2-CD1 4.13Å; W396-Y546 AromaticContact CH2-CD1 3.72Å; W396-Y546 HydrophobicContact CH2-CD1 3.72Å; W396-Y546 AromaticContact CH2-CE1 3.76Å; W396-Y546 HydrophobicContact CH2-CE1 3.76Å; W396-Y546 HydrophobicContact CZ2-CE1 4.27Å; W396-Y546 HydrophobicContact CZ3-CD1 4.44Å
397	G	98.1	Very high	94.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-6.8	-176.6	0	0	0	0	0	116.5	K379 D381 N395	K379-G397 PolarHBondContact NZ-O 2.98Å; D381-G397 PolarHBondContact N-O 2.03Å; N395-G397 PolarHBondContact O-N 2.81Å
398	L	98.6	Very high	94.8	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	67.3	173.2	-178.5	62.6	0	0	0	110.2	L288 A320 D381 L383 N395 V400	L288-L398 HydrophobicContact CB-CD1 4.17Å; L288-L398 HydrophobicContact CB-CD2 3.96Å; L288-L398 HydrophobicContact CD1-CD1 4.35Å; A320-L398 HydrophobicContact CB-CD2 4.19Å; D381-L398 HydrophobicContact CB-CD1 3.59Å; D381-L398 CarbonylContact O-C 3.57Å; D381-L398 WeakPolarHBondContact O-CA 3.33Å; L383-L398 HydrophobicContact CB-CD1 4.15Å; N395-L398 WeakPolarHBondContact CB-O 3.45Å; N395-L398 CarbonylContact O-C 3.58Å; N395-L398 PolarHBondContact O-N 2.69Å; L398-V400 PolarHBondContact O-N 3.39Å
399	S	98.3	Very high	94.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	130.9	-179.7	-53	0	0	0	0	110.8	D381 L382 L383 M393 N395	D381-S399 PolarHBondContact O-N 3.33Å; L382-S399 CarbonylContact C-O 3.6Å; L382-S399 WeakPolarHBondContact CA-O 3.42Å; L383-S399 PolarHBondContact N-O 3Å; M393-S399 CarbonylContact O-C 3.52Å; M393-S399 VanDerWaalsContact O-CA 3.31Å; M393-S399 WeakPolarHBondContact O-CA 3.43Å; N395-S399 PolarHBondContact O-N 2.98Å
400	V	98.1	Very high	94.7	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.3	-176.3	-174.8	0	0	0	0	109.5	V251 L383 V385 A392 M393 L398	V251-V400 HydrophobicContact CG2-CG1 4.17Å; V251-V400 HydrophobicContact CG2-CG2 4.26Å; L383-V400 HydrophobicContact CB-CG2 4.49Å; L383-V400 HydrophobicContact CD2-CG2 4.32Å; L383-V400 CarbonylContact O-C 3.59Å; V385-V400 HydrophobicContact CG1-CG1 3.98Å; V385-V400 HydrophobicContact CG2-CG1 3.72Å; A392-V400 CarbonylContact C-O 3.59Å; A392-V400 WeakPolarHBondContact CA-O 3.25Å; A392-V400 VanDerWaalsContact CB-O 3.29Å; A392-V400 WeakPolarHBondContact CB-O 3.35Å; M393-V400 PolarHBondContact N-O 3.16Å; M393-V400 PolarHBondContact O-N 3.5Å; L398-V400 PolarHBondContact O-N 3.39Å
401	F	97.6	Very high	94.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.2	-177.9	-64.5	-103.3	0	0	0	110.2	L382 L383 A384 V385 A392 I406 V424 V425 E428	L382-F401 HydrophobicContact CB-CD2 4.47Å; L382-F401 HydrophobicContact CB-CE2 4.15Å; L382-F401 HydrophobicContact CD2-CE2 3.81Å; L382-F401 HydrophobicContact CD2-CZ 4.27Å; L383-F401 PolarHBondContact O-N 3.43Å; A384-F401 CarbonylContact C-O 3.52Å; A384-F401 WeakPolarHBondContact CA-O 3.42Å; V385-F401 WeakPolarHBondContact CG2-O 3.44Å; V385-F401 PolarHBondContact N-O 3.49Å; A392-F401 HydrophobicContact CB-CB 4.45Å; A392-F401 HydrophobicContact CB-CD1 3.42Å; A392-F401 VanDerWaalsContact CB-CD1 3.42Å; A392-F401 HydrophobicContact CB-CE1 3.69Å; A392-F401 HydrophobicContact CB-CG 3.91Å; A392-F401 HydrophobicContact CB-CZ 4.39Å; F401-I406 HydrophobicContact CB-CB 3.8Å; F401-I406 HydrophobicContact CB-CD1 4.12Å; F401-I406 HydrophobicContact CB-CG2 3.69Å; F401-I406 HydrophobicContact CD1-CB 4.12Å; F401-I406 HydrophobicContact CD1-CD1 4.07Å; F401-I406 HydrophobicContact CD1-CG1 4.5Å; F401-I406 HydrophobicContact CD2-CD1 3.45Å; F401-I406 VanDerWaalsContact CD2-CD1 3.45Å; F401-I406 HydrophobicContact CE1-CD1 4.36Å; F401-I406 HydrophobicContact CE2-CD1 3.77Å; F401-I406 HydrophobicContact CG-CB 3.97Å; F401-I406 HydrophobicContact CG-CD1 3.62Å; F401-I406 HydrophobicContact CG-CG1 4.33Å; F401-I406 HydrophobicContact CG-CG2 4.34Å; F401-I406 HydrophobicContact CZ-CD1 4.22Å; F401-V424 HydrophobicContact CD1-CG1 4.01Å; F401-V424 HydrophobicContact CE1-CG1 3.98Å; F401-V425 HydrophobicContact CE1-CG2 4.12Å; F401-E428 HydrophobicContact CD1-CG 4.47Å; F401-E428 HydrophobicContact CE1-CB 4.16Å; F401-E428 HydrophobicContact CE1-CG 3.5Å; F401-E428 HydrophobicContact CZ-CB 3.74Å; F401-E428 HydrophobicContact CZ-CG 3.53Å
402	V	94.1	Very high	94.3	Very high	13 Å²	13	21.6 Å²	21.6	8%	0.079	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	145.5	160.8	-61.9	0	0	0	0	110.1	V385 H388 Y390 A391 Q404 K405	V385-V402 CarbonylContact O-C 3.57Å; V385-V402 WeakPolarHBondContact O-CA 3.47Å; H388-V402 HydrophobicContact CB-CG1 3.41Å; H388-V402 VanDerWaalsContact CB-CG1 3.41Å; Y390-V402 WeakPolarHBondContact O-CG1 3.3Å; A391-V402 PolarHBondContact O-N 3.44Å; V402-Q404 HydrophobicContact CG2-CB 4.28Å; V402-Q404 PolarHBondContact O-N 3.13Å; V402-Q404 VanDerWaalsContact O-N 3.09Å; V402-K405 HydrophobicContact CG2-CB 3.82Å; V402-K405 HydrophobicContact CG2-CG 3.47Å; V402-K405 VanDerWaalsContact CG2-CG 3.47Å; V402-K405 PolarHBondContact O-N 3.26Å
403	E	93.6	Very high	94	Very high	12 Å²	12	21.9 Å²	21.9	6%	0.056	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-51.5	-37.5	179.9	-74.1	-168.9	176.6	0	0	112.9	R344 A384 V385 K405 I406 L407 V868	R344-E403 WeakPolarHBondContact CD-OE1 3.47Å; R344-E403 WeakPolarHBondContact CG-OE1 3.36Å; R344-E403 IonicContact CZ-OE1 3.37Å; R344-E403 IonicContact CZ-OE2 3.03Å; R344-E403 IonicContact NE-OE1 3.95Å; R344-E403 PolarHBondContact NE-OE1 3.43Å; R344-E403 IonicContact NE-OE2 3.8Å; R344-E403 PolarHBondContact NE-OE2 2.88Å; R344-E403 IonicContact NH2-OE1 2.81Å; R344-E403 IonicContact NH2-OE2 3.97Å; R344-E403 PolarHBondContact NH2-OE2 3.18Å; A384-E403 HydrophobicContact CB-CG 4.4Å; V385-E403 PolarHBondContact O-N 3.25Å; E403-K405 PolarHBondContact O-N 2.9Å; E403-K405 VanDerWaalsContact O-N 3.08Å; E403-I406 PolarHBondContact O-N 3.46Å; E403-L407 HydrophobicContact CB-CD1 3.89Å; E403-L407 HydrophobicContact CB-CG 4.39Å; E403-L407 HydrophobicContact CG-CD1 3.74Å; E403-L407 WeakPolarHBondContact O-CB 3.41Å; E403-L407 PolarHBondContact O-N 3.38Å; E403-V868 HydrophobicContact CB-CG1 4.28Å; E403-V868 HydrophobicContact CB-CG2 4.19Å
404	Q	91.1	Very high	93.7	Very high	25 Å²	25	23 Å²	23	12%	0.117	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-62.9	-13.9	178.8	-61.1	80	-6.6	0	0	114	V402 Y417 V868 Q903	V402-Q404 HydrophobicContact CG2-CB 4.28Å; V402-Q404 PolarHBondContact O-N 3.13Å; V402-Q404 VanDerWaalsContact O-N 3.09Å; Q404-Y417 VanDerWaalsContact O-CE2 3.3Å; Q404-Y417 WeakPolarHBondContact O-CE2 3.27Å; Q404-Y417 VanDerWaalsContact O-CZ 3.31Å; Q404-Y417 PolarHBondContact O-OH 3.48Å; Q404-V868 HydrophobicContact CB-CG1 4Å; Q404-V868 HydrophobicContact CG-CG1 3.55Å; Q404-Q903 VanDerWaalsContact NE2-CD 3.33Å
405	K	94.6	Very high	93.3	Very high	40 Å²	40	23.5 Å²	23.5	17%	0.174	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-118.5	7.1	-172.7	-63	-61.3	-173.7	173.1	0	113.5	A391 V402 E403 E420 V424	A391-K405 HydrophobicContact CB-CG 4.05Å; V402-K405 HydrophobicContact CG2-CB 3.82Å; V402-K405 HydrophobicContact CG2-CG 3.47Å; V402-K405 VanDerWaalsContact CG2-CG 3.47Å; V402-K405 PolarHBondContact O-N 3.26Å; E403-K405 PolarHBondContact O-N 2.9Å; E403-K405 VanDerWaalsContact O-N 3.08Å; K405-E420 IonicContact NZ-OE2 2.73Å; K405-E420 PolarHBondContact NZ-OE2 2.94Å; K405-V424 HydrophobicContact CB-CG1 4.22Å; K405-V424 HydrophobicContact CD-CG2 4.19Å
406	I	96.8	Very high	92.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.3	-22.7	176.9	-164.9	164.8	0	0	0	114.6	L341 A356 L382 A384 F401 E403 L421 V425	L341-I406 HydrophobicContact CD1-CD1 4.01Å; L341-I406 HydrophobicContact CD1-CG1 3.99Å; A356-I406 HydrophobicContact CB-CD1 4.25Å; A356-I406 HydrophobicContact CB-CG1 3.54Å; A356-I406 WeakPolarHBondContact CB-O 3.32Å; L382-I406 HydrophobicContact CB-CD1 3.66Å; L382-I406 HydrophobicContact CD1-CD1 4.1Å; L382-I406 HydrophobicContact CG-CD1 4.43Å; A384-I406 HydrophobicContact CB-CG2 3.36Å; F401-I406 HydrophobicContact CB-CB 3.8Å; F401-I406 HydrophobicContact CB-CD1 4.12Å; F401-I406 HydrophobicContact CB-CG2 3.69Å; F401-I406 HydrophobicContact CD1-CB 4.12Å; F401-I406 HydrophobicContact CD1-CD1 4.07Å; F401-I406 HydrophobicContact CD1-CG1 4.5Å; F401-I406 HydrophobicContact CD2-CD1 3.45Å; F401-I406 VanDerWaalsContact CD2-CD1 3.45Å; F401-I406 HydrophobicContact CE1-CD1 4.36Å; F401-I406 HydrophobicContact CE2-CD1 3.77Å; F401-I406 HydrophobicContact CG-CB 3.97Å; F401-I406 HydrophobicContact CG-CD1 3.62Å; F401-I406 HydrophobicContact CG-CG1 4.33Å; F401-I406 HydrophobicContact CG-CG2 4.34Å; F401-I406 HydrophobicContact CZ-CD1 4.22Å; E403-I406 PolarHBondContact O-N 3.46Å; I406-L421 VanDerWaalsContact C-CD1 3.49Å; I406-V425 HydrophobicContact CG1-CG2 4.45Å
407	L	95.6	Very high	92.6	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.037	15%	0.152	C	C	.	.			trans	-93.9	133.1	177.8	-57.9	-176.3	0	0	0	111	L341 A343 A347 A352 A384 E403 Y417	L341-L407 HydrophobicContact CD2-CD2 4.31Å; A343-L407 HydrophobicContact CB-CD2 4.19Å; A347-L407 HydrophobicContact CB-CD1 3.85Å; A352-L407 HydrophobicContact CB-CB 4.26Å; A352-L407 HydrophobicContact CB-CD2 4.4Å; A352-L407 WeakPolarHBondContact O-CA 3.07Å; A384-L407 HydrophobicContact CB-CD1 4.46Å; A384-L407 HydrophobicContact CB-CD2 4.08Å; A384-L407 HydrophobicContact CB-CG 4.19Å; E403-L407 HydrophobicContact CB-CD1 3.89Å; E403-L407 HydrophobicContact CB-CG 4.39Å; E403-L407 HydrophobicContact CG-CD1 3.74Å; E403-L407 WeakPolarHBondContact O-CB 3.41Å; E403-L407 PolarHBondContact O-N 3.38Å; L407-Y417 VanDerWaalsContact O-CE1 3.28Å; L407-Y417 WeakPolarHBondContact O-CE1 3.02Å; L407-Y417 PolarHBondContact O-OH 3.47Å
408	L	94.2	Very high	92.4	Very high	21 Å²	21	28.1 Å²	28.1	11%	0.11	16%	0.164	C	C	.	.			trans	-129.6	124.9	-178.1	-171.2	101.7	0	0	0	110.7	A352 Y355 Y417 Q418 L421	A352-L408 WeakPolarHBondContact CA-O 3.47Å; A352-L408 PolarHBondContact O-N 3.4Å; Y355-L408 HydrophobicContact CD1-CB 4.49Å; Y355-L408 HydrophobicContact CD1-CD2 4.2Å; Y355-L408 HydrophobicContact CG-CD2 3.97Å; L408-Y417 HydrophobicContact CD1-CD1 3.76Å; L408-Y417 HydrophobicContact CD1-CE1 3.97Å; L408-Q418 HydrophobicContact CD1-CB 3.89Å; L408-Q418 HydrophobicContact CD1-CG 4.12Å; L408-L421 HydrophobicContact CB-CD1 3.9Å; L408-L421 HydrophobicContact CD1-CD1 4.12Å
409	D	90.1	Very high	92.1	Very high	55 Å²	55	28.6 Å²	28.6	29%	0.294	17%	0.167	S	C	.	.			trans	-100.4	115.1	166.1	-170.7	-38.3	0	0	0	109.2	D411 V412 S413 A867	D409-D411 VanDerWaalsContact C-N 3.3Å; D409-D411 PolarHBondContact O-N 3.41Å; D409-D411 PolarHBondContact OD1-N 3.26Å; D409-D411 VanDerWaalsContact OD1-N 3.13Å; D409-V412 HydrophobicContact CB-CB 4.31Å; D409-V412 HydrophobicContact CB-CG2 4.37Å; D409-V412 PolarHBondContact O-N 3.01Å; D409-S413 PolarHBondContact N-OG 3.34Å; D409-S413 WeakPolarHBondContact O-CB 2.95Å; D409-S413 PolarHBondContact O-N 2.91Å; D409-S413 PolarHBondContact O-OG 3.45Å; D409-A867 HydrophobicContact CB-CB 4.41Å
410	A	83.3	Confident	91.8	Very high	84 Å²	84	31.5 Å²	31.5	69%	0.694	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.5	-172	0	0	0	0	0	114	V412	A410-V412 VanDerWaalsContact C-N 3.32Å
411	D	82.9	Confident	91.7	Very high	139 Å²	139	31.5 Å²	31.5	74%	0.743	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.8	-177.1	-69.9	-28.2	0	0	0	112.5	D409	D409-D411 VanDerWaalsContact C-N 3.3Å; D409-D411 PolarHBondContact O-N 3.41Å; D409-D411 PolarHBondContact OD1-N 3.26Å; D409-D411 VanDerWaalsContact OD1-N 3.13Å
412	V	86.7	Confident	91.7	Very high	33 Å²	33	31.5 Å²	31.5	20%	0.2	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-30.9	-166.2	-163.3	0	0	0	0	112	D409 A410 R839 A867 E870	D409-V412 HydrophobicContact CB-CB 4.31Å; D409-V412 HydrophobicContact CB-CG2 4.37Å; D409-V412 PolarHBondContact O-N 3.01Å; A410-V412 VanDerWaalsContact C-N 3.32Å; V412-R839 PolarHBondContact O-NH1 3.14Å; V412-R839 VanDerWaalsContact O-NH1 3.15Å; V412-A867 HydrophobicContact CB-CB 4.43Å; V412-A867 HydrophobicContact CG1-CB 4.18Å; V412-E870 HydrophobicContact CG1-CB 3.69Å; V412-E870 HydrophobicContact CG1-CG 4.05Å; V412-E870 VanDerWaalsContact CG1-OE2 3.27Å; V412-E870 WeakPolarHBondContact CG1-OE2 3.38Å
413	S	90.7	Very high	91.9	Very high	16 Å²	16	31.8 Å²	31.8	11%	0.112	18%	0.181	C	C	.	.			trans	-78.9	143	-174.6	-51.5	0	0	0	0	112.3	D409 S869	D409-S413 PolarHBondContact N-OG 3.34Å; D409-S413 WeakPolarHBondContact O-CB 2.95Å; D409-S413 PolarHBondContact O-N 2.91Å; D409-S413 PolarHBondContact O-OG 3.45Å; S413-S869 PolarHBondContact OG-OG 3.03Å
414	S	90.2	Very high	92.1	Very high	29 Å²	29	32.3 Å²	32.3	20%	0.203	19%	0.185	C	C	.	.			trans	-80.5	162.9	175.4	64.4	0	0	0	0	112.4	S416 Y417 Q418 N837	S414-S416 PolarHBondContact O-N 3.49Å; S414-Y417 PolarHBondContact O-N 3.47Å; S414-Y417 WeakPolarHBondContact OG-CB 3.36Å; S414-Y417 PolarHBondContact OG-N 2.62Å; S414-Y417 VanDerWaalsContact OG-N 3.1Å; S414-Q418 PolarHBondContact O-N 3.26Å; S414-N837 WeakPolarHBondContact CA-OD1 3.44Å; S414-N837 WeakPolarHBondContact CB-OD1 3.11Å
415	S	88.6	Confident	92.4	Very high	17 Å²	17	31.1 Å²	31.1	12%	0.119	18%	0.18	C	C	.	.	H	α-helix	trans	-56	-41	170.3	56.8	0	0	0	0	111.9	Q418 M419 E798 N837	S415-Q418 PolarHBondContact O-N 3.23Å; S415-M419 WeakPolarHBondContact O-CB 3.38Å; S415-M419 PolarHBondContact O-N 2.65Å; S415-E798 PolarHBondContact OG-OE1 2.83Å; S415-N837 PolarHBondContact N-OD1 3.48Å; S415-N837 PolarHBondContact OG-ND2 3.49Å; S415-N837 PolarHBondContact OG-OD1 2.74Å
416	S	88.7	Confident	92.6	Very high	26 Å²	26	29.2 Å²	29.2	18%	0.182	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-40.9	177	172.2	0	0	0	0	112	S414 M419 E420	S414-S416 PolarHBondContact O-N 3.49Å; S416-M419 PolarHBondContact O-N 2.93Å; S416-E420 PolarHBondContact O-N 3.24Å
417	Y	92.2	Very high	92.7	Very high	15 Å²	15	29.9 Å²	29.9	6%	0.059	17%	0.174	C	C	.	.	H	α-helix	trans	-65	-43.4	174.7	-178.7	-88.6	0	0	0	111.5	Q404 L407 L408 S414 M419 E420 L421	Q404-Y417 VanDerWaalsContact O-CE2 3.3Å; Q404-Y417 WeakPolarHBondContact O-CE2 3.27Å; Q404-Y417 VanDerWaalsContact O-CZ 3.31Å; Q404-Y417 PolarHBondContact O-OH 3.48Å; L407-Y417 VanDerWaalsContact O-CE1 3.28Å; L407-Y417 WeakPolarHBondContact O-CE1 3.02Å; L407-Y417 PolarHBondContact O-OH 3.47Å; L408-Y417 HydrophobicContact CD1-CD1 3.76Å; L408-Y417 HydrophobicContact CD1-CE1 3.97Å; S414-Y417 PolarHBondContact O-N 3.47Å; S414-Y417 WeakPolarHBondContact OG-CB 3.36Å; S414-Y417 PolarHBondContact OG-N 2.62Å; S414-Y417 VanDerWaalsContact OG-N 3.1Å; Y417-M419 VanDerWaalsContact C-N 3.31Å; Y417-M419 PolarHBondContact O-N 2.91Å; Y417-E420 PolarHBondContact O-N 2.88Å; Y417-L421 HydrophobicContact CE1-CD1 3.99Å; Y417-L421 WeakPolarHBondContact O-CB 3.29Å; Y417-L421 PolarHBondContact O-N 3.43Å
418	Q	93.8	Very high	92.8	Very high	56 Å²	56	30.1 Å²	30.1	26%	0.262	18%	0.175	S	C	.	.	H	α-helix	trans	-60.3	-41.2	175.4	-175.5	-176.2	-15.3	0	0	111.9	Y355 L408 S414 S415 T422	Y355-Q418 HydrophobicContact CE1-CG 3.9Å; Y355-Q418 HydrophobicContact CE2-CG 4.41Å; Y355-Q418 PolarHBondContact OH-NE2 3.32Å; Y355-Q418 VanDerWaalsContact OH-NE2 3.12Å; L408-Q418 HydrophobicContact CD1-CB 3.89Å; L408-Q418 HydrophobicContact CD1-CG 4.12Å; S414-Q418 PolarHBondContact O-N 3.26Å; S415-Q418 PolarHBondContact O-N 3.23Å; Q418-T422 WeakPolarHBondContact O-CB 3.49Å; Q418-T422 PolarHBondContact O-N 3.01Å; Q418-T422 PolarHBondContact O-OG1 3.35Å
419	M	92.4	Very high	93	Very high	11 Å²	11	29.1 Å²	29.1	5%	0.054	17%	0.17	C	C	.	.	H	α-helix	trans	-62.3	-50.7	175.9	-178.8	-163.8	78.6	0	0	111.6	S415 S416 Y417 L421 T422 M423 W468 M470 Y794	S415-M419 WeakPolarHBondContact O-CB 3.38Å; S415-M419 PolarHBondContact O-N 2.65Å; S416-M419 PolarHBondContact O-N 2.93Å; Y417-M419 VanDerWaalsContact C-N 3.31Å; Y417-M419 PolarHBondContact O-N 2.91Å; M419-L421 VanDerWaalsContact C-N 3.34Å; M419-L421 PolarHBondContact O-N 3Å; M419-T422 WeakPolarHBondContact O-CB 3.5Å; M419-T422 PolarHBondContact O-N 2.96Å; M419-M423 HydrophobicContact CE-SD 4.42Å; M419-M423 HydrophobicContact CG-SD 4.18Å; M419-M423 WeakPolarHBondContact O-CG 3.48Å; M419-M423 PolarHBondContact O-N 2.94Å; M419-W468 HydrophobicContact CB-CE3 4.46Å; M419-W468 HydrophobicContact CB-CH2 3.93Å; M419-W468 HydrophobicContact CB-CZ3 3.71Å; M419-W468 HydrophobicContact CG-CE3 4.07Å; M419-W468 HydrophobicContact CG-CH2 4.4Å; M419-W468 HydrophobicContact CG-CZ3 3.68Å; M419-M470 HydrophobicContact CG-CE 3.84Å; M419-M470 HydrophobicContact CG-SD 4.33Å; M419-M470 HydrophobicContact SD-CE 3.65Å; M419-M470 HydrophobicContact SD-SD 4.07Å; M419-Y794 PolarHBondContact SD-OH 3.36Å
420	E	93.1	Very high	93.4	Very high	62 Å²	62	26.5 Å²	26.5	29%	0.29	16%	0.156	S	C	.	.	H	α-helix	trans	-57.6	-45.7	178.1	-75.6	-175.9	-161.1	0	0	112.1	K405 S416 Y417 T422 M423 V424	K405-E420 IonicContact NZ-OE2 2.73Å; K405-E420 PolarHBondContact NZ-OE2 2.94Å; S416-E420 PolarHBondContact O-N 3.24Å; Y417-E420 PolarHBondContact O-N 2.88Å; E420-T422 VanDerWaalsContact C-N 3.34Å; E420-M423 PolarHBondContact O-N 3.3Å; E420-V424 WeakPolarHBondContact O-CG2 3.4Å; E420-V424 PolarHBondContact O-N 2.88Å; E420-V424 VanDerWaalsContact O-N 3.12Å
421	L	96.2	Very high	94.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-45.6	176.8	-176.4	162	0	0	0	110.9	Y355 A356 I359 I406 L408 Y417 M419 M423 V424 V425	Y355-L421 HydrophobicContact CD1-CD2 3.69Å; Y355-L421 HydrophobicContact CE1-CD2 3.76Å; A356-L421 HydrophobicContact CB-CD2 4.47Å; I359-L421 HydrophobicContact CD1-CD2 4.47Å; I406-L421 VanDerWaalsContact C-CD1 3.49Å; L408-L421 HydrophobicContact CB-CD1 3.9Å; L408-L421 HydrophobicContact CD1-CD1 4.12Å; Y417-L421 HydrophobicContact CE1-CD1 3.99Å; Y417-L421 WeakPolarHBondContact O-CB 3.29Å; Y417-L421 PolarHBondContact O-N 3.43Å; M419-L421 VanDerWaalsContact C-N 3.34Å; M419-L421 PolarHBondContact O-N 3Å; L421-M423 PolarHBondContact O-N 3.44Å; L421-V424 PolarHBondContact O-N 2.9Å; L421-V425 HydrophobicContact CD2-CG2 4.08Å; L421-V425 WeakPolarHBondContact O-CG2 3.33Å; L421-V425 PolarHBondContact O-N 2.9Å
422	T	97.1	Very high	94.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.3	-50	177.5	-57.5	0	0	0	0	110.8	Y355 I359 Q418 M419 E420 V424 V425 V426 T461 L464 F465	Y355-T422 PolarHBondContact OH-OG1 2.87Å; I359-T422 HydrophobicContact CD1-CG2 4.29Å; Q418-T422 WeakPolarHBondContact O-CB 3.49Å; Q418-T422 PolarHBondContact O-N 3.01Å; Q418-T422 PolarHBondContact O-OG1 3.35Å; M419-T422 WeakPolarHBondContact O-CB 3.5Å; M419-T422 PolarHBondContact O-N 2.96Å; E420-T422 VanDerWaalsContact C-N 3.34Å; T422-V424 PolarHBondContact O-N 3.33Å; T422-V425 PolarHBondContact O-N 2.92Å; T422-V426 HydrophobicContact CG2-CG2 4.02Å; T422-V426 WeakPolarHBondContact O-CG2 3.44Å; T422-V426 PolarHBondContact O-N 3.48Å; T422-T461 HydrophobicContact CG2-CG2 4.02Å; T422-L464 HydrophobicContact CG2-CD1 3.88Å; T422-F465 HydrophobicContact CG2-CD2 4.16Å; T422-F465 HydrophobicContact CG2-CE2 3.83Å
423	M	97.2	Very high	95.3	Very high	19 Å²	19	14.5 Å²	14.5	9%	0.094	8%	0.079	C	C	.	.	H	α-helix	trans	-60.7	-44	-177.3	-70.4	177.6	66.1	0	0	111.9	M419 E420 L421 V426 H427 E457 Y458 M470	M419-M423 HydrophobicContact CE-SD 4.42Å; M419-M423 HydrophobicContact CG-SD 4.18Å; M419-M423 WeakPolarHBondContact O-CG 3.48Å; M419-M423 PolarHBondContact O-N 2.94Å; E420-M423 PolarHBondContact O-N 3.3Å; L421-M423 PolarHBondContact O-N 3.44Å; M423-V426 PolarHBondContact O-N 3.49Å; M423-H427 WeakPolarHBondContact O-CB 3.37Å; M423-H427 PolarHBondContact O-N 2.86Å; M423-E457 HydrophobicContact CE-CG 4.11Å; M423-E457 WeakPolarHBondContact CE-OE1 3.3Å; M423-Y458 HydrophobicContact CE-CD1 4.46Å; M423-Y458 HydrophobicContact CE-CE1 3.78Å; M423-Y458 HydrophobicContact CE-CE2 3.87Å; M423-Y458 VanDerWaalsContact CE-CZ 3.42Å; M423-Y458 WeakPolarHBondContact CE-OH 3.34Å; M423-M470 HydrophobicContact CE-CE 4.37Å; M423-M470 HydrophobicContact CG-CE 4.34Å; M423-M470 HydrophobicContact SD-CE 3.49Å; M423-M470 WeakPolarHBondContact SD-CE 3.45Å
424	V	98	Very high	95.7	Very high	23 Å²	23	13.9 Å²	13.9	14%	0.139	7%	0.074	C	C	.	.	H	α-helix	trans	-63.1	-45.7	176.9	176.5	0	0	0	0	111	A391 A392 F401 K405 E420 L421 T422 V426 H427 E428	A391-V424 HydrophobicContact CB-CG1 4.4Å; A391-V424 HydrophobicContact CB-CG2 4.48Å; A392-V424 HydrophobicContact CB-CG1 3.83Å; F401-V424 HydrophobicContact CD1-CG1 4.01Å; F401-V424 HydrophobicContact CE1-CG1 3.98Å; K405-V424 HydrophobicContact CB-CG1 4.22Å; K405-V424 HydrophobicContact CD-CG2 4.19Å; E420-V424 WeakPolarHBondContact O-CG2 3.4Å; E420-V424 PolarHBondContact O-N 2.88Å; E420-V424 VanDerWaalsContact O-N 3.12Å; L421-V424 PolarHBondContact O-N 2.9Å; T422-V424 PolarHBondContact O-N 3.33Å; V424-V426 VanDerWaalsContact C-N 3.35Å; V424-V426 PolarHBondContact O-N 2.99Å; V424-H427 WeakPolarHBondContact O-CB 3.43Å; V424-H427 PolarHBondContact O-N 3.21Å; V424-E428 WeakPolarHBondContact O-CG 3.48Å; V424-E428 PolarHBondContact O-N 2.68Å; V424-E428 VanDerWaalsContact O-N 3.13Å
425	V	98.5	Very high	95.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.4	-47.5	175.9	173.1	0	0	0	0	110.6	A356 I359 T360 L363 F401 I406 L421 T422 H427 E428 I429	A356-V425 HydrophobicContact CB-CG2 4.4Å; I359-V425 HydrophobicContact CD1-CB 3.92Å; I359-V425 HydrophobicContact CD1-CG1 3.87Å; I359-V425 HydrophobicContact CD1-CG2 4.28Å; I359-V425 HydrophobicContact CG1-CG1 4.01Å; T360-V425 WeakPolarHBondContact OG1-CG1 3.45Å; L363-V425 HydrophobicContact CD1-CG1 4.22Å; F401-V425 HydrophobicContact CE1-CG2 4.12Å; I406-V425 HydrophobicContact CG1-CG2 4.45Å; L421-V425 HydrophobicContact CD2-CG2 4.08Å; L421-V425 WeakPolarHBondContact O-CG2 3.33Å; L421-V425 PolarHBondContact O-N 2.9Å; T422-V425 PolarHBondContact O-N 2.92Å; V425-H427 VanDerWaalsContact C-N 3.28Å; V425-H427 PolarHBondContact O-N 2.85Å; V425-E428 PolarHBondContact O-N 3.16Å; V425-I429 HydrophobicContact CG1-CG1 4.23Å; V425-I429 VanDerWaalsContact O-CG1 3.27Å; V425-I429 WeakPolarHBondContact O-CG1 3.43Å; V425-I429 PolarHBondContact O-N 3.09Å; V425-I429 VanDerWaalsContact O-N 3.09Å
426	V	98.4	Very high	96.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.3	-42.1	179.5	-177.9	0	0	0	0	111.6	L363 Y367 T422 M423 V424 I429 C430 E457 L464	L363-V426 HydrophobicContact CD1-CB 4.2Å; L363-V426 HydrophobicContact CD1-CG2 3.59Å; L363-V426 HydrophobicContact CD2-CG1 4.09Å; L363-V426 HydrophobicContact CD2-CG2 3.9Å; L363-V426 HydrophobicContact CG-CG2 4.36Å; Y367-V426 HydrophobicContact CE2-CG1 4.36Å; Y367-V426 WeakPolarHBondContact OH-CG1 3.34Å; T422-V426 HydrophobicContact CG2-CG2 4.02Å; T422-V426 WeakPolarHBondContact O-CG2 3.44Å; T422-V426 PolarHBondContact O-N 3.48Å; M423-V426 PolarHBondContact O-N 3.49Å; V424-V426 VanDerWaalsContact C-N 3.35Å; V424-V426 PolarHBondContact O-N 2.99Å; V426-I429 PolarHBondContact O-N 3.22Å; V426-C430 PolarHBondContact O-N 3.16Å; V426-E457 HydrophobicContact CB-CB 4.48Å; V426-E457 HydrophobicContact CG1-CB 4.39Å; V426-L464 HydrophobicContact CG2-CD1 4.01Å
427	H	98.5	Very high	96.6	Very high	14 Å²	14	10.5 Å²	10.5	7%	0.065	5%	0.05	C	C	.	.	H	α-helix	trans	-56.3	-54.3	177	-167.9	102.3	0	0	0	111.8	M423 V424 V425 I429 C430 H431 E450 E457	M423-H427 WeakPolarHBondContact O-CB 3.37Å; M423-H427 PolarHBondContact O-N 2.86Å; V424-H427 WeakPolarHBondContact O-CB 3.43Å; V424-H427 PolarHBondContact O-N 3.21Å; V425-H427 VanDerWaalsContact C-N 3.28Å; V425-H427 PolarHBondContact O-N 2.85Å; H427-I429 VanDerWaalsContact C-N 3.33Å; H427-I429 PolarHBondContact O-N 3.34Å; H427-C430 WeakPolarHBondContact O-CB 3.36Å; H427-C430 PolarHBondContact O-N 2.57Å; H427-C430 VanDerWaalsContact O-N 3.08Å; H427-H431 AromaticContact CD2-CD2 3.6Å; H427-H431 AromaticContact CD2-NE2 3.3Å; H427-H431 PolarHBondContact CD2-NE2 2.85Å; H427-H431 VanDerWaalsContact CD2-NE2 3.3Å; H427-H431 AromaticContact NE2-CD2 3.91Å; H427-H431 AromaticContact NE2-CE1 3.97Å; H427-H431 AromaticContact NE2-NE2 3.11Å; H427-H431 PolarHBondContact NE2-NE2 3.44Å; H427-H431 VanDerWaalsContact NE2-NE2 3.11Å; H427-H431 PolarHBondContact O-N 2.84Å; H427-E450 IonicContact NE2-OE2 3.67Å; H427-E457 HydrophobicContact CB-CB 4.28Å; H427-E457 IonicContact CE1-OE2 3.74Å; H427-E457 IonicContact CG-OE2 3.8Å; H427-E457 IonicContact ND1-OE2 3.97Å; H427-E457 PolarHBondContact ND1-OE2 3Å
428	E	98.1	Very high	96.9	Very high	11 Å²	11	10 Å²	10	5%	0.051	5%	0.049	C	C	.	.	H	α-helix	trans	-64.2	-35.5	-178.6	-58.9	-46.1	131.7	0	0	113.2	A392 M393 E394 F401 V424 V425 C430 H431 Q432	A392-E428 VanDerWaalsContact CB-CD 3.46Å; A392-E428 HydrophobicContact CB-CG 3.5Å; A392-E428 WeakPolarHBondContact CB-OE1 3.27Å; M393-E428 VanDerWaalsContact C-OE2 3.25Å; E394-E428 VanDerWaalsContact CA-OE2 3.24Å; E394-E428 WeakPolarHBondContact CA-OE2 3.38Å; E394-E428 VanDerWaalsContact CB-OE2 3.31Å; E394-E428 WeakPolarHBondContact CB-OE2 3.35Å; E394-E428 PolarHBondContact N-OE2 2.95Å; F401-E428 HydrophobicContact CD1-CG 4.47Å; F401-E428 HydrophobicContact CE1-CB 4.16Å; F401-E428 HydrophobicContact CE1-CG 3.5Å; F401-E428 HydrophobicContact CZ-CB 3.74Å; F401-E428 HydrophobicContact CZ-CG 3.53Å; V424-E428 WeakPolarHBondContact O-CG 3.48Å; V424-E428 PolarHBondContact O-N 2.68Å; V424-E428 VanDerWaalsContact O-N 3.13Å; V425-E428 PolarHBondContact O-N 3.16Å; E428-C430 VanDerWaalsContact C-N 3.32Å; E428-H431 PolarHBondContact O-N 3.32Å; E428-H431 IonicContact OE2-CD2 2.79Å; E428-Q432 PolarHBondContact O-NE2 3.22Å
429	I	98	Very high	97	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-69.4	-32.5	176.3	-56.1	-49.1	0	0	0	111.1	T360 L363 L364 Y367 L380 L382 V425 V426 H427 H431 Q432 W433	T360-I429 HydrophobicContact CG2-CD1 3.58Å; T360-I429 HydrophobicContact CG2-CG1 4.1Å; L363-I429 HydrophobicContact CB-CG2 4.15Å; L363-I429 HydrophobicContact CD1-CG1 4.41Å; L364-I429 HydrophobicContact CD1-CG2 4.06Å; Y367-I429 HydrophobicContact CD2-CG2 3.94Å; Y367-I429 HydrophobicContact CE2-CB 4.39Å; Y367-I429 HydrophobicContact CE2-CG2 4.25Å; L380-I429 HydrophobicContact CD2-CD1 3.58Å; L382-I429 HydrophobicContact CD2-CD1 4.29Å; V425-I429 HydrophobicContact CG1-CG1 4.23Å; V425-I429 VanDerWaalsContact O-CG1 3.27Å; V425-I429 WeakPolarHBondContact O-CG1 3.43Å; V425-I429 PolarHBondContact O-N 3.09Å; V425-I429 VanDerWaalsContact O-N 3.09Å; V426-I429 PolarHBondContact O-N 3.22Å; H427-I429 VanDerWaalsContact C-N 3.33Å; H427-I429 PolarHBondContact O-N 3.34Å; I429-H431 VanDerWaalsContact C-N 3.31Å; I429-H431 PolarHBondContact O-N 3.32Å; I429-Q432 WeakPolarHBondContact O-CB 3.4Å; I429-Q432 VanDerWaalsContact O-CG 3.3Å; I429-Q432 WeakPolarHBondContact O-CG 3.29Å; I429-Q432 PolarHBondContact O-N 2.9Å; I429-W433 WeakPolarHBondContact O-CZ3 3.47Å
430	C	98.4	Very high	97.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-65.3	-36.6	175.5	-172	0	0	0	0	112.1	Y367 V426 H427 E428 Q432 W433 F434 A453 F456	Y367-C430 HydrophobicContact CE1-CB 4.45Å; Y367-C430 HydrophobicContact CE2-CB 4.14Å; V426-C430 PolarHBondContact O-N 3.16Å; H427-C430 WeakPolarHBondContact O-CB 3.36Å; H427-C430 PolarHBondContact O-N 2.57Å; H427-C430 VanDerWaalsContact O-N 3.08Å; E428-C430 VanDerWaalsContact C-N 3.32Å; C430-Q432 PolarHBondContact O-N 3.23Å; C430-Q432 VanDerWaalsContact O-N 3.08Å; C430-W433 PolarHBondContact O-N 3.24Å; C430-F434 PolarHBondContact O-N 3.27Å; C430-A453 HydrophobicContact CB-CB 4.32Å; C430-F456 HydrophobicContact CB-CB 4.32Å; C430-F456 WeakPolarHBondContact SG-CB 3.3Å
431	H	98.3	Very high	97.3	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-59.3	-22.6	179.6	-82	-49.4	0	0	0	114.8	E394 H427 E428 I429 W433 F434 D436 E450 A453	E394-H431 HydrophobicContact CB-CB 3.35Å; E394-H431 HydrophobicContact CG-CB 3.62Å; H427-H431 AromaticContact CD2-CD2 3.6Å; H427-H431 AromaticContact CD2-NE2 3.3Å; H427-H431 PolarHBondContact CD2-NE2 2.85Å; H427-H431 VanDerWaalsContact CD2-NE2 3.3Å; H427-H431 AromaticContact NE2-CD2 3.91Å; H427-H431 AromaticContact NE2-CE1 3.97Å; H427-H431 AromaticContact NE2-NE2 3.11Å; H427-H431 PolarHBondContact NE2-NE2 3.44Å; H427-H431 VanDerWaalsContact NE2-NE2 3.11Å; H427-H431 PolarHBondContact O-N 2.84Å; E428-H431 PolarHBondContact O-N 3.32Å; E428-H431 IonicContact OE2-CD2 2.79Å; I429-H431 VanDerWaalsContact C-N 3.31Å; I429-H431 PolarHBondContact O-N 3.32Å; H431-W433 PolarHBondContact O-N 2.74Å; H431-F434 WeakPolarHBondContact CA-O 3.42Å; H431-F434 PolarHBondContact ND1-O 3.48Å; H431-F434 CarbonylContact O-C 3.56Å; H431-F434 PolarHBondContact O-N 3.24Å; H431-D436 WeakPolarHBondContact O-CB 3.44Å; H431-D436 PolarHBondContact O-N 2.87Å; H431-E450 IonicContact CE1-OE2 2.69Å; H431-E450 IonicContact NE2-OE2 2.74Å; H431-E450 PolarHBondContact NE2-OE2 3.45Å; H431-A453 WeakPolarHBondContact CE1-CB 3.5Å
432	Q	97.6	Very high	97.2	Very high	2 Å²	2	7 Å²	7	1%	0.009	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.6	174.7	-51.8	-55	-72.3	0	0	112.5	Y375 E394 W396 E428 I429 C430 D436	Y375-Q432 HydrophobicContact CD2-CB 4.07Å; Y375-Q432 HydrophobicContact CD2-CG 4.46Å; Y375-Q432 HydrophobicContact CE2-CB 3.94Å; Y375-Q432 HydrophobicContact CE2-CG 3.98Å; E394-Q432 PolarHBondContact O-NE2 3.01Å; W396-Q432 VanDerWaalsContact CD1-OE1 3.29Å; E428-Q432 PolarHBondContact O-NE2 3.22Å; I429-Q432 WeakPolarHBondContact O-CB 3.4Å; I429-Q432 VanDerWaalsContact O-CG 3.3Å; I429-Q432 WeakPolarHBondContact O-CG 3.29Å; I429-Q432 PolarHBondContact O-N 2.9Å; C430-Q432 PolarHBondContact O-N 3.23Å; C430-Q432 VanDerWaalsContact O-N 3.08Å; Q432-D436 PolarHBondContact NE2-OD2 3.21Å; Q432-D436 PolarHBondContact OE1-OD2 3.05Å
433	W	98.3	Very high	97.1	Very high	2 Å²	2	7 Å²	7	1%	0.008	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-52.4	169.4	-69.7	-99.6	0	0	0	112.7	L364 Y367 E368 F371 V373 I429 C430 H431 V438 L541	L364-W433 HydrophobicContact CD1-CH2 3.77Å; L364-W433 HydrophobicContact CD1-CZ3 4.09Å; L364-W433 HydrophobicContact CG-CH2 4.34Å; Y367-W433 HydrophobicContact CD2-CZ3 4.38Å; Y367-W433 HydrophobicContact CG-CZ3 4.33Å; E368-W433 HydrophobicContact CG-CH2 4.16Å; E368-W433 HydrophobicContact CG-CZ2 3.76Å; F371-W433 HydrophobicContact CD2-CB 4.07Å; F371-W433 AromaticContact CD2-CD1 3.95Å; F371-W433 AromaticContact CD2-CD2 3.85Å; F371-W433 HydrophobicContact CD2-CD2 3.85Å; F371-W433 HydrophobicContact CD2-CE3 4.38Å; F371-W433 AromaticContact CD2-CG 3.69Å; F371-W433 HydrophobicContact CD2-CG 3.69Å; F371-W433 HydrophobicContact CE2-CB 4.25Å; F371-W433 HydrophobicContact CE2-CD2 4.34Å; F371-W433 HydrophobicContact CE2-CE3 4.49Å; F371-W433 HydrophobicContact CE2-CG 4.25Å; F371-W433 HydrophobicContact CG-CG 4.49Å; V373-W433 PolarHBondContact O-NE1 3.34Å; I429-W433 WeakPolarHBondContact O-CZ3 3.47Å; C430-W433 PolarHBondContact O-N 3.24Å; H431-W433 PolarHBondContact O-N 2.74Å; W433-V438 PolarHBondContact O-N 3.03Å; W433-L541 HydrophobicContact CB-CD1 4.36Å; W433-L541 HydrophobicContact CB-CD2 4.3Å
434	F	97.3	Very high	96.8	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.009	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-95.9	93.2	-178	-71.9	-88.5	0	0	0	110.9	F371 C430 H431 F452 F456 L537 Y540 L541	F371-F434 AromaticContact CD1-CE2 3.95Å; F371-F434 HydrophobicContact CD1-CE2 3.95Å; F371-F434 HydrophobicContact CE1-CD2 4.39Å; F371-F434 AromaticContact CE1-CE2 3.48Å; F371-F434 HydrophobicContact CE1-CE2 3.48Å; F371-F434 VanDerWaalsContact CE1-CE2 3.48Å; F371-F434 HydrophobicContact CE1-CZ 4.27Å; F371-F434 HydrophobicContact CE2-CD2 4.32Å; F371-F434 HydrophobicContact CE2-CE2 4.07Å; F371-F434 HydrophobicContact CG-CE2 4.49Å; F371-F434 HydrophobicContact CZ-CD2 4.01Å; F371-F434 AromaticContact CZ-CE2 3.55Å; F371-F434 HydrophobicContact CZ-CE2 3.55Å; C430-F434 PolarHBondContact O-N 3.27Å; H431-F434 WeakPolarHBondContact CA-O 3.42Å; H431-F434 PolarHBondContact ND1-O 3.48Å; H431-F434 CarbonylContact O-C 3.56Å; H431-F434 PolarHBondContact O-N 3.24Å; F434-F452 HydrophobicContact CB-CB 3.9Å; F434-F452 HydrophobicContact CD1-CB 3.72Å; F434-F452 AromaticContact CD1-CD1 3.7Å; F434-F452 HydrophobicContact CD1-CD1 3.7Å; F434-F452 HydrophobicContact CD1-CD2 4.01Å; F434-F452 HydrophobicContact CD1-CE1 4.34Å; F434-F452 AromaticContact CD1-CG 3.51Å; F434-F452 HydrophobicContact CD1-CG 3.51Å; F434-F452 HydrophobicContact CD2-CB 4.44Å; F434-F452 HydrophobicContact CE1-CB 4.39Å; F434-F452 AromaticContact CE1-CD1 3.47Å; F434-F452 HydrophobicContact CE1-CD1 3.47Å; F434-F452 VanDerWaalsContact CE1-CD1 3.47Å; F434-F452 HydrophobicContact CE1-CD2 4.24Å; F434-F452 AromaticContact CE1-CE1 3.71Å; F434-F452 HydrophobicContact CE1-CE1 3.71Å; F434-F452 HydrophobicContact CE1-CE2 4.42Å; F434-F452 AromaticContact CE1-CG 3.76Å; F434-F452 HydrophobicContact CE1-CG 3.76Å; F434-F452 HydrophobicContact CE1-CZ 4.18Å; F434-F452 HydrophobicContact CE2-CD1 4.33Å; F434-F452 HydrophobicContact CG-CB 3.75Å; F434-F452 HydrophobicContact CG-CD1 4.23Å; F434-F452 HydrophobicContact CG-CG 4.04Å; F434-F452 AromaticContact CZ-CD1 3.82Å; F434-F452 HydrophobicContact CZ-CD1 3.82Å; F434-F452 HydrophobicContact CZ-CE1 4.05Å; F434-F452 HydrophobicContact CZ-CG 4.48Å; F434-F456 HydrophobicContact CE2-CE2 4.48Å; F434-L537 HydrophobicContact CE1-CD2 4.3Å; F434-L537 HydrophobicContact CZ-CB 4.4Å; F434-L537 HydrophobicContact CZ-CD1 4.09Å; F434-L537 HydrophobicContact CZ-CD2 4.07Å; F434-L537 HydrophobicContact CZ-CG 4.41Å; F434-Y540 HydrophobicContact CE1-CD1 4.28Å; F434-Y540 HydrophobicContact CE1-CE1 4.11Å; F434-L541 HydrophobicContact CE1-CD2 4.35Å; F434-L541 HydrophobicContact CE2-CD1 4.04Å; F434-L541 HydrophobicContact CE2-CD2 4.36Å; F434-L541 HydrophobicContact CZ-CD1 4.1Å; F434-L541 HydrophobicContact CZ-CD2 4.19Å; F434-L541 HydrophobicContact CZ-CG 4.26Å
435	G	94.1	Very high	96.6	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.01	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	131.3	-77.2	-167.9	0	0	0	0	0	109.5	Y318 V438 T439	Y318-G435 WeakPolarHBondContact CE2-O 3.33Å; Y318-G435 VanDerWaalsContact CZ-C 3.5Å; Y318-G435 WeakPolarHBondContact OH-CA 3.43Å; Y318-G435 PolarHBondContact OH-O 3.15Å; Y318-G435 VanDerWaalsContact OH-O 3.08Å; G435-V438 CarbonylContact C-O 3.23Å; G435-V438 WeakPolarHBondContact CA-O 3.27Å; G435-V438 PolarHBondContact N-O 3.07Å; G435-V438 CarbonylContact O-C 3.58Å; G435-V438 VanDerWaalsContact O-C 3.25Å; G435-V438 VanDerWaalsContact O-O 3.06Å; G435-T439 WeakPolarHBondContact O-CA 3.44Å; G435-T439 VanDerWaalsContact O-CB 3.31Å; G435-T439 WeakPolarHBondContact O-CB 3.44Å; G435-T439 PolarHBondContact O-N 2.77Å; G435-T439 PolarHBondContact O-OG1 3.17Å
436	D	95.3	Very high	96.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-61.7	-169.3	-65	5.6	0	0	0	111.4	K272 Y318 W396 H431 Q432	K272-D436 PolarHBondContact NZ-O 2.98Å; Y318-D436 WeakPolarHBondContact CD1-OD1 3.29Å; Y318-D436 WeakPolarHBondContact CE1-OD1 3.36Å; Y318-D436 PolarHBondContact OH-N 3.39Å; Y318-D436 PolarHBondContact OH-OD1 3.13Å; W396-D436 WeakPolarHBondContact CA-OD2 3.48Å; W396-D436 HydrophobicContact CB-CB 4.25Å; W396-D436 WeakPolarHBondContact CB-OD2 3.39Å; W396-D436 VanDerWaalsContact CD1-OD2 3.27Å; W396-D436 HydrophobicContact CD2-CB 3.66Å; W396-D436 HydrophobicContact CE3-CB 4.05Å; W396-D436 HydrophobicContact CG-CB 3.77Å; W396-D436 HydrophobicContact CZ2-CB 4.33Å; H431-D436 WeakPolarHBondContact O-CB 3.44Å; H431-D436 PolarHBondContact O-N 2.87Å; Q432-D436 PolarHBondContact NE2-OD2 3.21Å; Q432-D436 PolarHBondContact OE1-OD2 3.05Å
437	L	97.9	Very high	96.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-50.1	-179.3	-174.6	65.1	0	0	0	111.1	K272 V373 W396 M545 Y546	K272-L437 PolarHBondContact NZ-O 2.93Å; V373-L437 HydrophobicContact CG1-CD2 3.71Å; W396-L437 HydrophobicContact CH2-CB 4.44Å; W396-L437 HydrophobicContact CH2-CD1 4.07Å; W396-L437 HydrophobicContact CZ2-CB 4.3Å; W396-L437 HydrophobicContact CZ2-CD1 4.13Å; L437-M545 HydrophobicContact CD1-CB 3.86Å; L437-M545 HydrophobicContact CD2-CB 4.24Å; L437-M545 HydrophobicContact CG-CB 3.96Å; L437-Y546 HydrophobicContact CD1-CD1 3.83Å; L437-Y546 HydrophobicContact CD1-CE1 3.63Å; L437-Y546 HydrophobicContact CD1-CE2 4.46Å; L437-Y546 HydrophobicContact CD1-CG 4.3Å; L437-Y546 WeakPolarHBondContact O-CA 3.43Å; L437-Y546 PolarHBondContact O-N 3.35Å
438	V	98.3	Very high	96.2	Very high	4 Å²	4	8.2 Å²	8.2	2%	0.024	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	115	174.1	-175.1	0	0	0	0	109.2	W433 G435 Y540 L541 H544 A549	W433-V438 PolarHBondContact O-N 3.03Å; G435-V438 CarbonylContact C-O 3.23Å; G435-V438 WeakPolarHBondContact CA-O 3.27Å; G435-V438 PolarHBondContact N-O 3.07Å; G435-V438 CarbonylContact O-C 3.58Å; G435-V438 VanDerWaalsContact O-C 3.25Å; G435-V438 VanDerWaalsContact O-O 3.06Å; V438-Y540 HydrophobicContact CB-CE1 4.34Å; V438-Y540 HydrophobicContact CG1-CE1 3.87Å; V438-Y540 WeakPolarHBondContact CG1-OH 3.37Å; V438-L541 HydrophobicContact CB-CD2 4.32Å; V438-L541 HydrophobicContact CG2-CD2 3.8Å; V438-H544 HydrophobicContact CG1-CB 3.7Å; V438-H544 HydrophobicContact CG2-CB 4Å; V438-A549 HydrophobicContact CG1-CB 3.75Å
439	T	96.9	Very high	96.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	145.3	-175.2	-51.7	0	0	0	0	110.3	P269 K272 Y317 Y318 G435 S547 N548 A549	P269-T439 HydrophobicContact CB-CG2 3.97Å; K272-T439 VanDerWaalsContact CE-CB 3.47Å; K272-T439 WeakPolarHBondContact CE-OG1 3.42Å; K272-T439 PolarHBondContact NZ-OG1 2.7Å; Y317-T439 HydrophobicContact CE1-CG2 3.98Å; Y317-T439 VanDerWaalsContact OH-CG2 3.29Å; Y317-T439 WeakPolarHBondContact OH-CG2 3.18Å; Y318-T439 HydrophobicContact CE2-CG2 4.32Å; G435-T439 WeakPolarHBondContact O-CA 3.44Å; G435-T439 VanDerWaalsContact O-CB 3.31Å; G435-T439 WeakPolarHBondContact O-CB 3.44Å; G435-T439 PolarHBondContact O-N 2.77Å; G435-T439 PolarHBondContact O-OG1 3.17Å; T439-S547 PolarHBondContact N-O 2.76Å; T439-N548 CarbonylContact O-C 3.55Å; T439-N548 WeakPolarHBondContact O-CA 3.25Å; T439-N548 WeakPolarHBondContact O-CB 3.39Å; T439-A549 PolarHBondContact O-N 3.45Å
440	P	96.2	Very high	96	Very high	2 Å²	2	8 Å²	8	1%	0.013	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	149.2	168.2	23.3	-34.5	0	0	0	111.5	W442 D445 N548 A549	P440-W442 VanDerWaalsContact C-N 3.29Å; P440-D445 HydrophobicContact CB-CB 4.44Å; P440-N548 PolarHBondContact O-ND2 3.26Å; P440-N548 VanDerWaalsContact O-ND2 3.08Å; P440-A549 WeakPolarHBondContact CA-O 3.34Å
441	V	95.3	Very high	96	Very high	50 Å²	50	8 Å²	8	30%	0.303	4%	0.041	S	C	.	.	S	Bend	trans	-63.4	-40.9	174.8	170.7	0	0	0	0	110.6	V270 N548 A549 A550	V270-V441 HydrophobicContact CG2-CG1 4.31Å; V441-N548 HydrophobicContact CG2-CB 3.81Å; V441-A549 PolarHBondContact N-O 2.97Å; V441-A549 VanDerWaalsContact N-O 3.14Å; V441-A550 HydrophobicContact CG2-CB 4.28Å
442	W	94.5	Very high	96	Very high	15 Å²	15	8 Å²	8	6%	0.057	4%	0.041	C	C	.	.	S	Bend	trans	-151.7	169.4	-179.7	-170.2	-121.8	0	0	0	110.8	R117 E268 P269 P440 E444 D445 V499	R117-W442 VanDerWaalsContact CZ-CE2 3.44Å; R117-W442 VanDerWaalsContact NH1-CD2 3.33Å; R117-W442 VanDerWaalsContact NH2-CE3 3.34Å; E268-W442 HydrophobicContact CB-CE3 4.26Å; E268-W442 HydrophobicContact CB-CH2 4.47Å; E268-W442 HydrophobicContact CB-CZ3 3.55Å; E268-W442 HydrophobicContact CG-CH2 4Å; E268-W442 HydrophobicContact CG-CZ3 3.55Å; P269-W442 HydrophobicContact CG-CE3 3.93Å; P269-W442 HydrophobicContact CG-CZ3 4.4Å; P440-W442 VanDerWaalsContact C-N 3.29Å; W442-E444 HydrophobicContact CB-CG 4.15Å; W442-E444 PolarHBondContact O-N 3.24Å; W442-D445 PolarHBondContact O-N 3.42Å; W442-V499 HydrophobicContact CZ2-CG1 4.48Å; W442-V499 PolarHBondContact NE1-O 3.38Å
443	W	93.5	Very high	96	Very high	1 Å²	1	7.9 Å²	7.9	0%	0.004	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-68.5	-16	-172.6	-58.8	123.3	0	0	0	114.6	P256 P269 Y317 D445 V446 V499 I505 V508 F509	P256-W443 HydrophobicContact CB-CH2 4.23Å; P256-W443 HydrophobicContact CB-CZ2 3.88Å; P256-W443 WeakPolarHBondContact O-CZ2 3.48Å; P269-W443 HydrophobicContact CB-CH2 4.48Å; P269-W443 HydrophobicContact CB-CZ2 4.4Å; P269-W443 HydrophobicContact CG-CD2 4.3Å; P269-W443 HydrophobicContact CG-CH2 4.44Å; P269-W443 HydrophobicContact CG-CZ2 4.03Å; Y317-W443 AromaticContact CD1-CH2 3.69Å; Y317-W443 HydrophobicContact CD1-CH2 3.69Å; Y317-W443 HydrophobicContact CD1-CZ2 4.13Å; Y317-W443 HydrophobicContact CD2-CH2 4.36Å; Y317-W443 AromaticContact CE1-CH2 3.55Å; Y317-W443 HydrophobicContact CE1-CH2 3.55Å; Y317-W443 HydrophobicContact CE1-CZ2 4.31Å; Y317-W443 HydrophobicContact CE1-CZ3 4.3Å; Y317-W443 HydrophobicContact CE2-CH2 4.22Å; Y317-W443 HydrophobicContact CG-CH2 4.08Å; Y317-W443 AromaticContact CZ-CH2 3.81Å; W443-D445 PolarHBondContact O-N 2.91Å; W443-V446 HydrophobicContact CE3-CG2 4.37Å; W443-V446 WeakPolarHBondContact O-CB 3.27Å; W443-V446 WeakPolarHBondContact O-CG1 3.38Å; W443-V446 PolarHBondContact O-N 2.78Å; W443-V499 HydrophobicContact CB-CG1 4.42Å; W443-V499 HydrophobicContact CB-CG2 4.41Å; W443-I505 HydrophobicContact CG-CD1 4.42Å; W443-I505 HydrophobicContact CG-CG1 4.42Å; W443-V508 HydrophobicContact CB-CG2 4.31Å; W443-V508 WeakPolarHBondContact O-CG2 3.49Å; W443-F509 HydrophobicContact CB-CE2 4.16Å; W443-F509 AromaticContact CD2-CE2 3.76Å; W443-F509 HydrophobicContact CD2-CE2 3.76Å; W443-F509 HydrophobicContact CD2-CZ 4.01Å; W443-F509 AromaticContact CE3-CE2 3.46Å; W443-F509 HydrophobicContact CE3-CE2 3.46Å; W443-F509 VanDerWaalsContact CE3-CE2 3.46Å; W443-F509 AromaticContact CE3-CZ 3.33Å; W443-F509 HydrophobicContact CE3-CZ 3.33Å; W443-F509 HydrophobicContact CG-CE2 4.1Å; W443-F509 HydrophobicContact CH2-CZ 4.22Å; W443-F509 HydrophobicContact CZ3-CE2 4.1Å; W443-F509 AromaticContact CZ3-CZ 3.48Å; W443-F509 HydrophobicContact CZ3-CZ 3.48Å; W443-F509 VanDerWaalsContact CZ3-CZ 3.48Å
444	E	92	Very high	96	Very high	66 Å²	66	8.4 Å²	8.4	31%	0.308	4%	0.043	S	C	.	.	G	3₁₀ helix	trans	-52.2	-33.9	171	60.9	-167.7	145.7	0	0	113.1	W442 S496 Q497	W442-E444 HydrophobicContact CB-CG 4.15Å; W442-E444 PolarHBondContact O-N 3.24Å; E444-S496 WeakPolarHBondContact O-CA 3.49Å; E444-Q497 WeakPolarHBondContact CA-O 3.27Å; E444-Q497 WeakPolarHBondContact CB-O 3.29Å
445	D	93.5	Very high	96.1	Very high	11 Å²	11	8.5 Å²	8.5	6%	0.059	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-110	30.7	179.5	-80.4	-29.3	0	0	0	112.3	P440 W442 W443 W447 L448 S496 R551	P440-D445 HydrophobicContact CB-CB 4.44Å; W442-D445 PolarHBondContact O-N 3.42Å; W443-D445 PolarHBondContact O-N 2.91Å; D445-W447 PolarHBondContact O-N 3.24Å; D445-W447 PolarHBondContact OD1-NE1 2.62Å; D445-W447 VanDerWaalsContact OD1-NE1 3.15Å; D445-L448 HydrophobicContact CB-CD1 3.76Å; D445-L448 HydrophobicContact CB-CG 4.08Å; D445-L448 VanDerWaalsContact O-CB 3.31Å; D445-L448 WeakPolarHBondContact O-CB 3.26Å; D445-L448 PolarHBondContact O-N 3.11Å; D445-S496 WeakPolarHBondContact OD1-CB 3.44Å; D445-S496 PolarHBondContact OD1-OG 3.03Å; D445-R551 VanDerWaalsContact OD2-CB 3.23Å; D445-R551 WeakPolarHBondContact OD2-CB 3.43Å; D445-R551 PolarHBondContact OD2-N 3.46Å
446	V	94.4	Very high	96.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-29.4	177.7	65.5	0	0	0	0	112.7	W443 L448 K449 E450 V508 F509 A513	W443-V446 HydrophobicContact CE3-CG2 4.37Å; W443-V446 WeakPolarHBondContact O-CB 3.27Å; W443-V446 WeakPolarHBondContact O-CG1 3.38Å; W443-V446 PolarHBondContact O-N 2.78Å; V446-L448 PolarHBondContact O-N 3.25Å; V446-L448 VanDerWaalsContact O-N 3.09Å; V446-K449 HydrophobicContact CG2-CG 4.44Å; V446-K449 WeakPolarHBondContact O-CG 3.43Å; V446-K449 PolarHBondContact O-N 2.81Å; V446-E450 HydrophobicContact CG2-CG 3.84Å; V446-E450 PolarHBondContact O-N 2.96Å; V446-E450 VanDerWaalsContact O-N 3.13Å; V446-V508 HydrophobicContact CG1-CB 4.07Å; V446-V508 HydrophobicContact CG1-CG2 4.11Å; V446-V508 WeakPolarHBondContact CG1-O 3.42Å; V446-F509 HydrophobicContact CB-CD2 4.49Å; V446-F509 HydrophobicContact CB-CE2 4.08Å; V446-F509 HydrophobicContact CB-CZ 4.24Å; V446-F509 HydrophobicContact CG1-CD2 4.4Å; V446-F509 HydrophobicContact CG1-CE2 4.47Å; V446-F509 HydrophobicContact CG2-CD1 4.01Å; V446-F509 HydrophobicContact CG2-CD2 4.13Å; V446-F509 HydrophobicContact CG2-CE1 3.52Å; V446-F509 HydrophobicContact CG2-CE2 3.65Å; V446-F509 HydrophobicContact CG2-CG 4.32Å; V446-F509 HydrophobicContact CG2-CZ 3.34Å; V446-A513 HydrophobicContact CG1-CB 3.85Å
447	W	96.3	Very high	96.4	Very high	1 Å²	1	9 Å²	9	0%	0.004	5%	0.045	C	C	.	.	H	α-helix	trans	-59.3	-21.1	175.4	74.4	-87.8	0	0	0	113.8	D445 K449 G451 F452 I495 A513 I521 R551 L554 W555 T579	D445-W447 PolarHBondContact O-N 3.24Å; D445-W447 PolarHBondContact OD1-NE1 2.62Å; D445-W447 VanDerWaalsContact OD1-NE1 3.15Å; W447-K449 PolarHBondContact O-N 3Å; W447-G451 VanDerWaalsContact O-CA 3.31Å; W447-G451 WeakPolarHBondContact O-CA 3.49Å; W447-G451 PolarHBondContact O-N 2.92Å; W447-F452 HydrophobicContact CZ3-CE2 4.48Å; W447-I495 HydrophobicContact CB-CD1 3.54Å; W447-I495 HydrophobicContact CB-CG1 3.54Å; W447-I495 HydrophobicContact CD2-CD1 4.07Å; W447-I495 HydrophobicContact CD2-CG1 4.34Å; W447-I495 HydrophobicContact CE3-CD1 4.29Å; W447-I495 HydrophobicContact CG-CD1 3.74Å; W447-I495 HydrophobicContact CG-CG1 3.64Å; W447-A513 HydrophobicContact CB-CB 4.12Å; W447-I521 HydrophobicContact CE3-CD1 4.49Å; W447-I521 HydrophobicContact CZ3-CD1 4.3Å; W447-I521 HydrophobicContact CZ3-CG1 4.3Å; W447-R551 HydrophobicContact CZ2-CB 4.32Å; W447-R551 HydrophobicContact CZ2-CG 3.93Å; W447-L554 HydrophobicContact CH2-CD2 4.25Å; W447-W555 AromaticContact CH2-CH2 3.43Å; W447-W555 HydrophobicContact CH2-CH2 3.43Å; W447-W555 VanDerWaalsContact CH2-CH2 3.43Å; W447-W555 AromaticContact CH2-CZ2 3.56Å; W447-W555 HydrophobicContact CH2-CZ2 3.56Å; W447-W555 HydrophobicContact CH2-CZ3 4.37Å; W447-W555 HydrophobicContact CZ2-CH2 4.28Å; W447-W555 AromaticContact CZ2-CZ2 3.94Å; W447-W555 HydrophobicContact CZ2-CZ2 3.94Å; W447-W555 HydrophobicContact CZ3-CH2 4.25Å; W447-T579 HydrophobicContact CH2-CG2 4.46Å; W447-T579 HydrophobicContact CZ2-CG2 4.18Å
448	L	96.3	Very high	96.4	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.021	5%	0.046	C	C	.	.	H	α-helix	trans	-65.4	-23.3	173.9	-69.2	177.8	0	0	0	113.2	D445 V446 F452 L554	D445-L448 HydrophobicContact CB-CD1 3.76Å; D445-L448 HydrophobicContact CB-CG 4.08Å; D445-L448 VanDerWaalsContact O-CB 3.31Å; D445-L448 WeakPolarHBondContact O-CB 3.26Å; D445-L448 PolarHBondContact O-N 3.11Å; V446-L448 PolarHBondContact O-N 3.25Å; V446-L448 VanDerWaalsContact O-N 3.09Å; L448-F452 HydrophobicContact CD2-CE2 4.45Å; L448-F452 VanDerWaalsContact O-CD2 3.23Å; L448-F452 WeakPolarHBondContact O-CD2 3.17Å; L448-L554 HydrophobicContact CD2-CB 4.49Å; L448-L554 HydrophobicContact CD2-CD2 3.68Å
449	K	95	Very high	96.3	Very high	1 Å²	1	10.4 Å²	10.4	0%	0.004	5%	0.053	C	C	.	.	H	α-helix	trans	-95.5	-53.9	168.6	80.2	-178.5	-177.1	108.7	0	110.8	E394 V446 W447 F452 A453	E394-K449 IonicContact OE1-NZ 2.73Å; E394-K449 PolarHBondContact OE1-NZ 3.39Å; E394-K449 IonicContact OE2-NZ 3.68Å; V446-K449 HydrophobicContact CG2-CG 4.44Å; V446-K449 WeakPolarHBondContact O-CG 3.43Å; V446-K449 PolarHBondContact O-N 2.81Å; W447-K449 PolarHBondContact O-N 3Å; K449-F452 PolarHBondContact O-N 3.34Å; K449-A453 WeakPolarHBondContact O-CB 3.33Å; K449-A453 PolarHBondContact O-N 3.18Å
450	E	97.1	Very high	96.4	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.019	5%	0.053	C	C	.	.	H	α-helix	trans	-72.2	-42.6	-168.4	-59.1	-60.1	170.4	0	0	112.5	H427 H431 V446 F452 H454 Y514	H427-E450 IonicContact NE2-OE2 3.67Å; H431-E450 IonicContact CE1-OE2 2.69Å; H431-E450 IonicContact NE2-OE2 2.74Å; H431-E450 PolarHBondContact NE2-OE2 3.45Å; V446-E450 HydrophobicContact CG2-CG 3.84Å; V446-E450 PolarHBondContact O-N 2.96Å; V446-E450 VanDerWaalsContact O-N 3.13Å; E450-F452 VanDerWaalsContact C-N 3.31Å; E450-F452 PolarHBondContact O-N 3.46Å; E450-H454 WeakPolarHBondContact O-CB 3.39Å; E450-H454 PolarHBondContact O-N 3.17Å; E450-Y514 HydrophobicContact CB-CD1 3.94Å; E450-Y514 HydrophobicContact CB-CD2 3.83Å; E450-Y514 HydrophobicContact CB-CE1 3.91Å; E450-Y514 HydrophobicContact CB-CE2 3.8Å; E450-Y514 HydrophobicContact CB-CG 3.92Å; E450-Y514 HydrophobicContact CG-CD2 4.16Å; E450-Y514 HydrophobicContact CG-CE1 4Å; E450-Y514 HydrophobicContact CG-CE2 3.6Å; E450-Y514 PolarHBondContact OE1-OH 2.85Å; E450-Y514 VanDerWaalsContact OE1-OH 3.12Å; E450-Y514 WeakPolarHBondContact OE2-CE1 3.33Å; E450-Y514 PolarHBondContact OE2-OH 2.63Å; E450-Y514 VanDerWaalsContact OE2-OH 3.04Å
451	G	98	Very high	96.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-65.8	-35.9	176.9	0	0	0	0	0	112.3	W447 F455 A513 A518 I521	W447-G451 VanDerWaalsContact O-CA 3.31Å; W447-G451 WeakPolarHBondContact O-CA 3.49Å; W447-G451 PolarHBondContact O-N 2.92Å; G451-F455 WeakPolarHBondContact O-CB 3.3Å; G451-F455 PolarHBondContact O-N 3.34Å; G451-A513 PolarHBondContact N-O 2.76Å; G451-A518 WeakPolarHBondContact O-CA 3.47Å; G451-I521 WeakPolarHBondContact O-CD1 3.28Å
452	F	98.2	Very high	96.4	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.009	5%	0.046	C	C	.	.	H	α-helix	trans	-69.2	-51	176.5	-91.7	-83.6	0	0	0	111.9	F434 W447 L448 K449 E450 H454 F455 F456 I521 F533 L537 L554	F434-F452 HydrophobicContact CB-CB 3.9Å; F434-F452 HydrophobicContact CD1-CB 3.72Å; F434-F452 AromaticContact CD1-CD1 3.7Å; F434-F452 HydrophobicContact CD1-CD1 3.7Å; F434-F452 HydrophobicContact CD1-CD2 4.01Å; F434-F452 HydrophobicContact CD1-CE1 4.34Å; F434-F452 AromaticContact CD1-CG 3.51Å; F434-F452 HydrophobicContact CD1-CG 3.51Å; F434-F452 HydrophobicContact CD2-CB 4.44Å; F434-F452 HydrophobicContact CE1-CB 4.39Å; F434-F452 AromaticContact CE1-CD1 3.47Å; F434-F452 HydrophobicContact CE1-CD1 3.47Å; F434-F452 VanDerWaalsContact CE1-CD1 3.47Å; F434-F452 HydrophobicContact CE1-CD2 4.24Å; F434-F452 AromaticContact CE1-CE1 3.71Å; F434-F452 HydrophobicContact CE1-CE1 3.71Å; F434-F452 HydrophobicContact CE1-CE2 4.42Å; F434-F452 AromaticContact CE1-CG 3.76Å; F434-F452 HydrophobicContact CE1-CG 3.76Å; F434-F452 HydrophobicContact CE1-CZ 4.18Å; F434-F452 HydrophobicContact CE2-CD1 4.33Å; F434-F452 HydrophobicContact CG-CB 3.75Å; F434-F452 HydrophobicContact CG-CD1 4.23Å; F434-F452 HydrophobicContact CG-CG 4.04Å; F434-F452 AromaticContact CZ-CD1 3.82Å; F434-F452 HydrophobicContact CZ-CD1 3.82Å; F434-F452 HydrophobicContact CZ-CE1 4.05Å; F434-F452 HydrophobicContact CZ-CG 4.48Å; W447-F452 HydrophobicContact CZ3-CE2 4.48Å; L448-F452 HydrophobicContact CD2-CE2 4.45Å; L448-F452 VanDerWaalsContact O-CD2 3.23Å; L448-F452 WeakPolarHBondContact O-CD2 3.17Å; K449-F452 PolarHBondContact O-N 3.34Å; E450-F452 VanDerWaalsContact C-N 3.31Å; E450-F452 PolarHBondContact O-N 3.46Å; F452-H454 VanDerWaalsContact C-N 3.27Å; F452-H454 PolarHBondContact O-N 3.02Å; F452-F455 PolarHBondContact O-N 3.12Å; F452-F456 HydrophobicContact CD1-CD2 4.2Å; F452-F456 AromaticContact CD1-CE2 3.89Å; F452-F456 HydrophobicContact CD1-CE2 3.89Å; F452-F456 HydrophobicContact CE1-CE2 4.39Å; F452-F456 WeakPolarHBondContact O-CB 3.23Å; F452-F456 WeakPolarHBondContact O-CD2 3.26Å; F452-F456 PolarHBondContact O-N 3.35Å; F452-I521 HydrophobicContact CB-CD1 4.29Å; F452-I521 HydrophobicContact CD1-CD1 4.12Å; F452-I521 HydrophobicContact CD1-CG2 4.37Å; F452-I521 HydrophobicContact CD2-CD1 3.43Å; F452-I521 VanDerWaalsContact CD2-CD1 3.43Å; F452-I521 HydrophobicContact CD2-CG1 4.35Å; F452-I521 HydrophobicContact CE1-CD1 4.28Å; F452-I521 HydrophobicContact CE1-CG2 4.05Å; F452-I521 HydrophobicContact CE2-CD1 3.63Å; F452-I521 HydrophobicContact CE2-CG1 4.07Å; F452-I521 HydrophobicContact CG-CD1 3.7Å; F452-I521 HydrophobicContact CZ-CD1 4.07Å; F452-I521 HydrophobicContact CZ-CG1 4.17Å; F452-I521 HydrophobicContact CZ-CG2 4.4Å; F452-F533 HydrophobicContact CE1-CZ 4.16Å; F452-L537 HydrophobicContact CE1-CD1 4.1Å; F452-L537 HydrophobicContact CE1-CD2 3.5Å; F452-L537 HydrophobicContact CE1-CG 4.46Å; F452-L537 HydrophobicContact CZ-CD2 3.82Å; F452-L554 HydrophobicContact CE2-CD2 3.6Å; F452-L554 HydrophobicContact CZ-CD1 4.18Å; F452-L554 HydrophobicContact CZ-CD2 3.75Å
453	A	98.2	Very high	96.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.4	-42.1	175.8	0	0	0	0	0	111.2	C430 H431 K449 F455 F456 E457	C430-A453 HydrophobicContact CB-CB 4.32Å; H431-A453 WeakPolarHBondContact CE1-CB 3.5Å; K449-A453 WeakPolarHBondContact O-CB 3.33Å; K449-A453 PolarHBondContact O-N 3.18Å; A453-F455 PolarHBondContact O-N 3.48Å; A453-F456 CarbonylContact O-C 3.6Å; A453-F456 PolarHBondContact O-N 2.98Å; A453-E457 PolarHBondContact O-N 2.93Å
454	H	98.3	Very high	96.7	Very high	13 Å²	13	12.7 Å²	12.7	6%	0.06	6%	0.061	C	C	.	.	H	α-helix	trans	-71.4	-23.7	178.6	-162.8	62.1	0	0	0	114.4	E450 F452 E457 Y458 Y514 A518	E450-H454 WeakPolarHBondContact O-CB 3.39Å; E450-H454 PolarHBondContact O-N 3.17Å; F452-H454 VanDerWaalsContact C-N 3.27Å; F452-H454 PolarHBondContact O-N 3.02Å; H454-E457 WeakPolarHBondContact CA-OE2 3.45Å; H454-E457 IonicContact CE1-OE1 3.16Å; H454-E457 PolarHBondContact CE1-OE1 3.33Å; H454-E457 IonicContact CE1-OE2 2.67Å; H454-E457 IonicContact CG-OE1 3.57Å; H454-E457 IonicContact CG-OE2 3.9Å; H454-E457 IonicContact ND1-OE1 3.28Å; H454-E457 PolarHBondContact ND1-OE1 2.85Å; H454-E457 IonicContact ND1-OE2 3.35Å; H454-E457 PolarHBondContact ND1-OE2 2.9Å; H454-E457 IonicContact NE2-OE1 3.38Å; H454-E457 VanDerWaalsContact O-CG 3.29Å; H454-E457 WeakPolarHBondContact O-CG 3.41Å; H454-Y458 VanDerWaalsContact O-CD2 3.3Å; H454-Y458 WeakPolarHBondContact O-CD2 3.45Å; H454-Y514 PolarHBondContact CD2-O 3.03Å; H454-A518 HydrophobicContact CB-CB 4.05Å
455	F	98.4	Very high	96.8	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.018	6%	0.057	C	C	.	.	H	α-helix	trans	-76.9	-46.5	167.7	171.7	-119	0	0	0	111.2	G451 F452 A453 E457 Y458 V459 E471 F475 A518 I521 R522 A525 F533	G451-F455 WeakPolarHBondContact O-CB 3.3Å; G451-F455 PolarHBondContact O-N 3.34Å; F452-F455 PolarHBondContact O-N 3.12Å; A453-F455 PolarHBondContact O-N 3.48Å; F455-E457 PolarHBondContact O-N 2.98Å; F455-Y458 PolarHBondContact O-N 2.88Å; F455-V459 HydrophobicContact CD1-CG2 4.5Å; F455-V459 HydrophobicContact CE1-CG2 4.01Å; F455-V459 HydrophobicContact CE2-CG2 4.06Å; F455-V459 HydrophobicContact CZ-CG2 3.77Å; F455-V459 PolarHBondContact O-N 2.65Å; F455-E471 HydrophobicContact CE2-CG 4.46Å; F455-F475 HydrophobicContact CD2-CE2 4.21Å; F455-A518 HydrophobicContact CB-CB 3.99Å; F455-I521 HydrophobicContact CB-CB 4.42Å; F455-I521 HydrophobicContact CB-CG2 4.16Å; F455-I521 HydrophobicContact CD1-CG2 3.51Å; F455-I521 HydrophobicContact CE1-CG2 4.09Å; F455-I521 HydrophobicContact CG-CB 4.47Å; F455-I521 HydrophobicContact CG-CG2 3.92Å; F455-R522 HydrophobicContact CD2-CB 3.77Å; F455-R522 HydrophobicContact CD2-CG 4.4Å; F455-R522 HydrophobicContact CE2-CB 3.61Å; F455-R522 HydrophobicContact CE2-CG 3.85Å; F455-R522 HydrophobicContact CZ-CB 4.48Å; F455-A525 HydrophobicContact CE1-CB 4.48Å; F455-A525 HydrophobicContact CZ-CB 4.28Å; F455-F533 HydrophobicContact CE1-CE1 4.07Å; F455-F533 HydrophobicContact CE1-CZ 4.48Å
456	F	98.2	Very high	96.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-72.3	-14.5	-177	-84.2	-71.2	0	0	0	113.7	Y367 Y370 F371 C430 F434 F452 A453 Y458 V459 G460 F533 L537	Y367-F456 HydrophobicContact CE1-CB 4.09Å; Y367-F456 HydrophobicContact CE1-CD1 4.04Å; Y367-F456 HydrophobicContact CE1-CG 4.31Å; Y367-F456 PolarHBondContact OH-O 3.42Å; Y370-F456 AromaticContact CD1-CE1 3.86Å; Y370-F456 HydrophobicContact CD1-CE1 3.86Å; Y370-F456 HydrophobicContact CD1-CZ 4.24Å; Y370-F456 AromaticContact CE1-CE1 3.34Å; Y370-F456 HydrophobicContact CE1-CE1 3.34Å; Y370-F456 AromaticContact CE1-CZ 3.49Å; Y370-F456 HydrophobicContact CE1-CZ 3.49Å; Y370-F456 VanDerWaalsContact CE1-CZ 3.49Å; Y370-F456 HydrophobicContact CE2-CE1 4.45Å; Y370-F456 AromaticContact CZ-CE1 3.67Å; F371-F456 HydrophobicContact CE1-CD1 4.36Å; F371-F456 HydrophobicContact CE1-CD2 4.31Å; F371-F456 AromaticContact CE1-CE1 3.86Å; F371-F456 HydrophobicContact CE1-CE1 3.86Å; F371-F456 AromaticContact CE1-CE2 3.8Å; F371-F456 HydrophobicContact CE1-CE2 3.8Å; F371-F456 AromaticContact CE1-CZ 3.56Å; F371-F456 HydrophobicContact CE1-CZ 3.56Å; F371-F456 HydrophobicContact CZ-CD1 4.05Å; F371-F456 HydrophobicContact CZ-CD2 4.02Å; F371-F456 HydrophobicContact CZ-CE1 4.02Å; F371-F456 AromaticContact CZ-CE2 3.99Å; F371-F456 HydrophobicContact CZ-CE2 3.99Å; F371-F456 HydrophobicContact CZ-CG 4.07Å; F371-F456 HydrophobicContact CZ-CZ 4.01Å; C430-F456 HydrophobicContact CB-CB 4.32Å; C430-F456 WeakPolarHBondContact SG-CB 3.3Å; F434-F456 HydrophobicContact CE2-CE2 4.48Å; F452-F456 HydrophobicContact CD1-CD2 4.2Å; F452-F456 AromaticContact CD1-CE2 3.89Å; F452-F456 HydrophobicContact CD1-CE2 3.89Å; F452-F456 HydrophobicContact CE1-CE2 4.39Å; F452-F456 WeakPolarHBondContact O-CB 3.23Å; F452-F456 WeakPolarHBondContact O-CD2 3.26Å; F452-F456 PolarHBondContact O-N 3.35Å; A453-F456 CarbonylContact O-C 3.6Å; A453-F456 PolarHBondContact O-N 2.98Å; F456-Y458 VanDerWaalsContact C-N 3.3Å; F456-Y458 PolarHBondContact O-N 3.25Å; F456-V459 HydrophobicContact CD1-CB 3.99Å; F456-V459 HydrophobicContact CD1-CG1 4.16Å; F456-V459 HydrophobicContact CD1-CG2 4.31Å; F456-V459 HydrophobicContact CE1-CG1 4.35Å; F456-V459 PolarHBondContact O-N 3.41Å; F456-G460 PolarHBondContact O-N 3.26Å; F456-F533 HydrophobicContact CE2-CE1 4.48Å; F456-F533 HydrophobicContact CZ-CE1 4.07Å; F456-L537 HydrophobicContact CE2-CD1 3.88Å; F456-L537 HydrophobicContact CZ-CD1 3.76Å
457	E	97	Very high	96.4	Very high	11 Å²	11	22.7 Å²	22.7	5%	0.051	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-38.6	169.6	81.3	-170.1	-150.8	0	0	111.6	M423 V426 H427 A453 H454 F455 T461	M423-E457 HydrophobicContact CE-CG 4.11Å; M423-E457 WeakPolarHBondContact CE-OE1 3.3Å; V426-E457 HydrophobicContact CB-CB 4.48Å; V426-E457 HydrophobicContact CG1-CB 4.39Å; H427-E457 HydrophobicContact CB-CB 4.28Å; H427-E457 IonicContact CE1-OE2 3.74Å; H427-E457 IonicContact CG-OE2 3.8Å; H427-E457 IonicContact ND1-OE2 3.97Å; H427-E457 PolarHBondContact ND1-OE2 3Å; A453-E457 PolarHBondContact O-N 2.93Å; H454-E457 WeakPolarHBondContact CA-OE2 3.45Å; H454-E457 IonicContact CE1-OE1 3.16Å; H454-E457 PolarHBondContact CE1-OE1 3.33Å; H454-E457 IonicContact CE1-OE2 2.67Å; H454-E457 IonicContact CG-OE1 3.57Å; H454-E457 IonicContact CG-OE2 3.9Å; H454-E457 IonicContact ND1-OE1 3.28Å; H454-E457 PolarHBondContact ND1-OE1 2.85Å; H454-E457 IonicContact ND1-OE2 3.35Å; H454-E457 PolarHBondContact ND1-OE2 2.9Å; H454-E457 IonicContact NE2-OE1 3.38Å; H454-E457 VanDerWaalsContact O-CG 3.29Å; H454-E457 WeakPolarHBondContact O-CG 3.41Å; F455-E457 PolarHBondContact O-N 2.98Å; E457-T461 WeakPolarHBondContact O-CB 3.46Å; E457-T461 PolarHBondContact O-N 3.25Å; E457-T461 PolarHBondContact O-OG1 3.31Å
458	Y	98	Very high	96.1	Very high	4 Å²	4	24 Å²	24	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-73.8	-42.5	177	-69.7	-94.1	0	0	0	111.3	M423 H454 F455 F456 T461 D462 M470 R474 F475 D478 V479	M423-Y458 HydrophobicContact CE-CD1 4.46Å; M423-Y458 HydrophobicContact CE-CE1 3.78Å; M423-Y458 HydrophobicContact CE-CE2 3.87Å; M423-Y458 VanDerWaalsContact CE-CZ 3.42Å; M423-Y458 WeakPolarHBondContact CE-OH 3.34Å; H454-Y458 VanDerWaalsContact O-CD2 3.3Å; H454-Y458 WeakPolarHBondContact O-CD2 3.45Å; F455-Y458 PolarHBondContact O-N 2.88Å; F456-Y458 VanDerWaalsContact C-N 3.3Å; F456-Y458 PolarHBondContact O-N 3.25Å; Y458-T461 PolarHBondContact O-N 2.88Å; Y458-D462 WeakPolarHBondContact O-CB 3.49Å; Y458-D462 PolarHBondContact O-N 3.49Å; Y458-M470 HydrophobicContact CD1-CB 3.93Å; Y458-M470 HydrophobicContact CD1-CE 4.47Å; Y458-M470 WeakPolarHBondContact CD1-O 3.41Å; Y458-M470 HydrophobicContact CE1-CE 4.32Å; Y458-R474 HydrophobicContact CE1-CB 4.22Å; Y458-F475 HydrophobicContact CD1-CB 3.91Å; Y458-F475 HydrophobicContact CD1-CD2 4.07Å; Y458-F475 AromaticContact CD2-CD2 3.52Å; Y458-F475 HydrophobicContact CD2-CD2 3.52Å; Y458-F475 HydrophobicContact CD2-CE2 4.04Å; Y458-F475 HydrophobicContact CE1-CB 4.04Å; Y458-F475 HydrophobicContact CE1-CD2 4.35Å; Y458-F475 AromaticContact CE2-CD2 3.82Å; Y458-F475 HydrophobicContact CE2-CD2 3.82Å; Y458-F475 HydrophobicContact CE2-CE2 4.3Å; Y458-F475 HydrophobicContact CG-CB 4.34Å; Y458-F475 AromaticContact CG-CD2 3.68Å; Y458-F475 HydrophobicContact CG-CD2 3.68Å; Y458-D478 WeakPolarHBondContact OH-CB 3.4Å; Y458-V479 HydrophobicContact CD2-CG2 4.42Å; Y458-V479 HydrophobicContact CE1-CG2 4.41Å; Y458-V479 HydrophobicContact CE2-CG2 3.38Å; Y458-V479 WeakPolarHBondContact OH-CG2 3.4Å
459	V	97.8	Very high	95.7	Very high	29 Å²	29	26.5 Å²	26.5	18%	0.176	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-46.1	177.5	179.4	0	0	0	0	111.2	F366 F455 F456 D462 F463	F366-V459 HydrophobicContact CZ-CG1 4.04Å; F455-V459 HydrophobicContact CD1-CG2 4.5Å; F455-V459 HydrophobicContact CE1-CG2 4.01Å; F455-V459 HydrophobicContact CE2-CG2 4.06Å; F455-V459 HydrophobicContact CZ-CG2 3.77Å; F455-V459 PolarHBondContact O-N 2.65Å; F456-V459 HydrophobicContact CD1-CB 3.99Å; F456-V459 HydrophobicContact CD1-CG1 4.16Å; F456-V459 HydrophobicContact CD1-CG2 4.31Å; F456-V459 HydrophobicContact CE1-CG1 4.35Å; F456-V459 PolarHBondContact O-N 3.41Å; V459-D462 PolarHBondContact O-N 3.26Å; V459-F463 PolarHBondContact O-N 3.32Å
460	G	97.6	Very high	95.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-69	-35.1	178.1	0	0	0	0	0	112.5	F456 F463 L464	F456-G460 PolarHBondContact O-N 3.26Å; G460-F463 WeakPolarHBondContact O-CB 3.13Å; G460-F463 PolarHBondContact O-N 3.3Å; G460-L464 WeakPolarHBondContact O-CG 3.3Å; G460-L464 PolarHBondContact O-N 3.06Å; G460-L464 VanDerWaalsContact O-N 3.09Å
461	T	97.2	Very high	95.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.2	-39.9	173	-57.2	0	0	0	0	111.5	T422 E457 Y458 F463 L464 F465 W468 M470	T422-T461 HydrophobicContact CG2-CG2 4.02Å; E457-T461 WeakPolarHBondContact O-CB 3.46Å; E457-T461 PolarHBondContact O-N 3.25Å; E457-T461 PolarHBondContact O-OG1 3.31Å; Y458-T461 PolarHBondContact O-N 2.88Å; T461-F463 VanDerWaalsContact C-N 3.29Å; T461-F463 PolarHBondContact O-N 3.45Å; T461-L464 PolarHBondContact O-N 3.14Å; T461-L464 VanDerWaalsContact O-N 3.14Å; T461-F465 HydrophobicContact CG2-CD2 4.34Å; T461-F465 PolarHBondContact O-N 3.47Å; T461-W468 HydrophobicContact CG2-CE3 3.68Å; T461-W468 HydrophobicContact CG2-CZ3 3.88Å; T461-M470 HydrophobicContact CG2-CG 3.66Å
462	D	95.9	Very high	95.2	Very high	31 Å²	31	34.6 Å²	34.6	17%	0.166	17%	0.166	C	C	.	.	H	α-helix	trans	-65.1	-31.9	174.1	-85.5	-24.7	0	0	0	112.4	Y458 V459 F465 P466 N469 M470 E471	Y458-D462 WeakPolarHBondContact O-CB 3.49Å; Y458-D462 PolarHBondContact O-N 3.49Å; V459-D462 PolarHBondContact O-N 3.26Å; D462-F465 CarbonylContact O-C 3.54Å; D462-P466 WeakPolarHBondContact O-CA 3.18Å; D462-P466 VanDerWaalsContact O-CD 3.28Å; D462-P466 WeakPolarHBondContact O-CD 3.14Å; D462-P466 VanDerWaalsContact O-CG 3.23Å; D462-P466 WeakPolarHBondContact O-CG 3.39Å; D462-N469 WeakPolarHBondContact OD1-CA 3.34Å; D462-N469 PolarHBondContact OD1-N 2.83Å; D462-M470 PolarHBondContact OD1-N 3.49Å; D462-M470 PolarHBondContact OD2-N 3.34Å; D462-E471 VanDerWaalsContact OD2-CB 3.31Å; D462-E471 WeakPolarHBondContact OD2-CB 3.43Å; D462-E471 PolarHBondContact OD2-N 3.48Å
463	F	97.2	Very high	94.8	Very high	77 Å²	77	35.7 Å²	35.7	34%	0.338	17%	0.172	S	C	.	.	H	α-helix	trans	-63.5	-43	169.9	164.6	-98.8	0	0	0	112.2	R362 F366 V459 G460 T461	R362-F463 HydrophobicContact CB-CE1 4.34Å; F366-F463 HydrophobicContact CB-CD1 3.74Å; F366-F463 HydrophobicContact CB-CD2 4.42Å; F366-F463 HydrophobicContact CB-CE1 3.55Å; F366-F463 HydrophobicContact CB-CE2 4.25Å; F366-F463 HydrophobicContact CB-CG 4.17Å; F366-F463 HydrophobicContact CB-CZ 3.82Å; F366-F463 HydrophobicContact CD1-CB 4.48Å; F366-F463 HydrophobicContact CD1-CD1 4.32Å; F366-F463 HydrophobicContact CD1-CG 4.37Å; F366-F463 HydrophobicContact CD2-CB 3.99Å; F366-F463 AromaticContact CD2-CD1 4Å; F366-F463 HydrophobicContact CD2-CD1 4Å; F366-F463 AromaticContact CD2-CD2 3.46Å; F366-F463 HydrophobicContact CD2-CD2 3.46Å; F366-F463 VanDerWaalsContact CD2-CD2 3.46Å; F366-F463 HydrophobicContact CD2-CE1 4.37Å; F366-F463 AromaticContact CD2-CE2 3.87Å; F366-F463 HydrophobicContact CD2-CE2 3.87Å; F366-F463 AromaticContact CD2-CG 3.52Å; F366-F463 HydrophobicContact CD2-CG 3.52Å; F366-F463 HydrophobicContact CD2-CZ 4.31Å; F366-F463 HydrophobicContact CE1-CB 4.43Å; F366-F463 HydrophobicContact CE2-CB 3.94Å; F366-F463 AromaticContact CE2-CD2 3.97Å; F366-F463 HydrophobicContact CE2-CD2 3.97Å; F366-F463 AromaticContact CE2-CG 3.97Å; F366-F463 HydrophobicContact CE2-CG 3.97Å; F366-F463 HydrophobicContact CG-CB 4.27Å; F366-F463 AromaticContact CG-CD1 3.74Å; F366-F463 HydrophobicContact CG-CD1 3.74Å; F366-F463 HydrophobicContact CG-CD2 4.08Å; F366-F463 HydrophobicContact CG-CE1 4.07Å; F366-F463 HydrophobicContact CG-CE2 4.37Å; F366-F463 AromaticContact CG-CG 3.75Å; F366-F463 HydrophobicContact CG-CG 3.75Å; F366-F463 HydrophobicContact CG-CZ 4.36Å; F366-F463 HydrophobicContact CZ-CB 4.17Å; V459-F463 PolarHBondContact O-N 3.32Å; G460-F463 WeakPolarHBondContact O-CB 3.13Å; G460-F463 PolarHBondContact O-N 3.3Å; T461-F463 VanDerWaalsContact C-N 3.29Å; T461-F463 PolarHBondContact O-N 3.45Å
464	L	96.4	Very high	94.6	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-71.3	-41.1	178.9	-69	176	0	0	0	112.4	I359 R362 L363 T422 V426 G460 T461	I359-L464 HydrophobicContact CB-CD1 3.91Å; I359-L464 HydrophobicContact CB-CD2 4.42Å; I359-L464 HydrophobicContact CG2-CD1 4.21Å; R362-L464 HydrophobicContact CB-CD2 3.9Å; L363-L464 HydrophobicContact CD1-CD1 3.93Å; L363-L464 HydrophobicContact CD2-CD1 3.74Å; L363-L464 HydrophobicContact CD2-CD2 4.27Å; L363-L464 HydrophobicContact CD2-CG 3.87Å; L363-L464 HydrophobicContact CG-CD1 3.83Å; L363-L464 HydrophobicContact CG-CD2 4.23Å; L363-L464 HydrophobicContact CG-CG 4.22Å; T422-L464 HydrophobicContact CG2-CD1 3.88Å; V426-L464 HydrophobicContact CG2-CD1 4.01Å; G460-L464 WeakPolarHBondContact O-CG 3.3Å; G460-L464 PolarHBondContact O-N 3.06Å; G460-L464 VanDerWaalsContact O-N 3.09Å; T461-L464 PolarHBondContact O-N 3.14Å; T461-L464 VanDerWaalsContact O-N 3.14Å
465	F	93.8	Very high	94.5	Very high	48 Å²	48	36 Å²	36	21%	0.211	17%	0.172	C	C	.	.			trans	-135.8	70.7	-172	-57	-72.2	0	0	0	112.2	Y355 T422 T461 D462 K467 W468	Y355-F465 HydrophobicContact CE2-CZ 4.21Å; Y355-F465 VanDerWaalsContact OH-CE2 3.28Å; Y355-F465 WeakPolarHBondContact OH-CE2 3.5Å; Y355-F465 WeakPolarHBondContact OH-CZ 3.42Å; T422-F465 HydrophobicContact CG2-CD2 4.16Å; T422-F465 HydrophobicContact CG2-CE2 3.83Å; T461-F465 HydrophobicContact CG2-CD2 4.34Å; T461-F465 PolarHBondContact O-N 3.47Å; D462-F465 CarbonylContact O-C 3.54Å; F465-K467 PolarHBondContact O-N 3.12Å; F465-W468 HydrophobicContact CB-CB 4.39Å; F465-W468 HydrophobicContact CB-CD2 3.6Å; F465-W468 HydrophobicContact CB-CE3 3.98Å; F465-W468 HydrophobicContact CB-CG 3.76Å; F465-W468 HydrophobicContact CB-CZ2 4.47Å; F465-W468 HydrophobicContact CD1-CZ2 4.3Å; F465-W468 HydrophobicContact CD2-CD2 4.43Å; F465-W468 HydrophobicContact CD2-CE3 4.15Å; F465-W468 AromaticContact CD2-CH2 3.96Å; F465-W468 HydrophobicContact CD2-CH2 3.96Å; F465-W468 HydrophobicContact CD2-CZ2 4.25Å; F465-W468 AromaticContact CD2-CZ3 3.89Å; F465-W468 HydrophobicContact CD2-CZ3 3.89Å; F465-W468 HydrophobicContact CE2-CH2 4.27Å; F465-W468 HydrophobicContact CE2-CZ3 4.5Å; F465-W468 HydrophobicContact CG-CD2 4.07Å; F465-W468 AromaticContact CG-CE2 3.96Å; F465-W468 HydrophobicContact CG-CE3 4.25Å; F465-W468 HydrophobicContact CG-CH2 4.25Å; F465-W468 HydrophobicContact CG-CZ2 4.07Å; F465-W468 HydrophobicContact CG-CZ3 4.32Å; F465-W468 WeakPolarHBondContact O-CB 3.4Å; F465-W468 PolarHBondContact O-N 3.39Å
466	P	91.6	Very high	94.5	Very high	88 Å²	88	35.9 Å²	35.9	57%	0.571	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.7	-173.7	-23.8	30.5	0	0	0	115.3	D462 W468	D462-P466 WeakPolarHBondContact O-CA 3.18Å; D462-P466 VanDerWaalsContact O-CD 3.28Å; D462-P466 WeakPolarHBondContact O-CD 3.14Å; D462-P466 VanDerWaalsContact O-CG 3.23Å; D462-P466 WeakPolarHBondContact O-CG 3.39Å; P466-W468 VanDerWaalsContact C-N 3.29Å
467	K	88	Confident	94.3	Very high	152 Å²	152	35.9 Å²	35.9	66%	0.661	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.1	179.2	-66.1	-174.1	179.2	-178.7	0	113.4	F465	F465-K467 PolarHBondContact O-N 3.12Å
468	W	89.4	Confident	94.3	Very high	27 Å²	27	36.5 Å²	36.5	10%	0.102	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-30.9	178	-69.2	4.5	0	0	0	111.6	M419 T461 F465 P466 M470 Y794	M419-W468 HydrophobicContact CB-CE3 4.46Å; M419-W468 HydrophobicContact CB-CH2 3.93Å; M419-W468 HydrophobicContact CB-CZ3 3.71Å; M419-W468 HydrophobicContact CG-CE3 4.07Å; M419-W468 HydrophobicContact CG-CH2 4.4Å; M419-W468 HydrophobicContact CG-CZ3 3.68Å; T461-W468 HydrophobicContact CG2-CE3 3.68Å; T461-W468 HydrophobicContact CG2-CZ3 3.88Å; F465-W468 HydrophobicContact CB-CB 4.39Å; F465-W468 HydrophobicContact CB-CD2 3.6Å; F465-W468 HydrophobicContact CB-CE3 3.98Å; F465-W468 HydrophobicContact CB-CG 3.76Å; F465-W468 HydrophobicContact CB-CZ2 4.47Å; F465-W468 HydrophobicContact CD1-CZ2 4.3Å; F465-W468 HydrophobicContact CD2-CD2 4.43Å; F465-W468 HydrophobicContact CD2-CE3 4.15Å; F465-W468 AromaticContact CD2-CH2 3.96Å; F465-W468 HydrophobicContact CD2-CH2 3.96Å; F465-W468 HydrophobicContact CD2-CZ2 4.25Å; F465-W468 AromaticContact CD2-CZ3 3.89Å; F465-W468 HydrophobicContact CD2-CZ3 3.89Å; F465-W468 HydrophobicContact CE2-CH2 4.27Å; F465-W468 HydrophobicContact CE2-CZ3 4.5Å; F465-W468 HydrophobicContact CG-CD2 4.07Å; F465-W468 AromaticContact CG-CE2 3.96Å; F465-W468 HydrophobicContact CG-CE3 4.25Å; F465-W468 HydrophobicContact CG-CH2 4.25Å; F465-W468 HydrophobicContact CG-CZ2 4.07Å; F465-W468 HydrophobicContact CG-CZ3 4.32Å; F465-W468 WeakPolarHBondContact O-CB 3.4Å; F465-W468 PolarHBondContact O-N 3.39Å; P466-W468 VanDerWaalsContact C-N 3.29Å; W468-M470 HydrophobicContact CB-CG 3.78Å; W468-M470 HydrophobicContact CB-SD 3.91Å; W468-M470 HydrophobicContact CE3-CG 4.17Å; W468-M470 HydrophobicContact CE3-SD 4.01Å; W468-Y794 HydrophobicContact CB-CD1 4.03Å; W468-Y794 HydrophobicContact CB-CE1 4.12Å; W468-Y794 AromaticContact CD1-CD1 3.81Å; W468-Y794 AromaticContact CD1-CD2 3.79Å; W468-Y794 AromaticContact CD1-CG 3.44Å; W468-Y794 VanDerWaalsContact CD1-CG 3.44Å; W468-Y794 HydrophobicContact CD2-CD2 4.41Å; W468-Y794 HydrophobicContact CD2-CE2 4.4Å; W468-Y794 AromaticContact CG-CD1 3.97Å; W468-Y794 HydrophobicContact CG-CD1 3.97Å; W468-Y794 HydrophobicContact CG-CD2 4.24Å; W468-Y794 HydrophobicContact CG-CE1 4.22Å; W468-Y794 HydrophobicContact CG-CE2 4.48Å; W468-Y794 AromaticContact CG-CG 3.99Å; W468-Y794 HydrophobicContact CG-CG 3.99Å; W468-Y794 AromaticContact NE1-CD2 3.68Å; W468-Y794 AromaticContact NE1-CG 3.79Å
469	N	89.3	Confident	94.3	Very high	57 Å²	57	36.3 Å²	36.3	31%	0.305	18%	0.175	S	C	.	.			trans	54.8	49.5	-176.7	-61.8	-65.3	0	0	0	111.8	D462 Q473 Q795	D462-N469 WeakPolarHBondContact OD1-CA 3.34Å; D462-N469 PolarHBondContact OD1-N 2.83Å; N469-Q473 HydrophobicContact CB-CG 4.09Å; N469-Q473 VanDerWaalsContact O-CB 3.3Å; N469-Q473 WeakPolarHBondContact O-CB 3.42Å; N469-Q473 PolarHBondContact O-N 2.83Å; N469-Q795 PolarHBondContact ND2-NE2 3.4Å; N469-Q795 VanDerWaalsContact ND2-NE2 3.11Å
470	M	93.8	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	I	π-helix	trans	-62.3	-51	-173.9	-66.6	-59.8	-67.7	0	0	111.6	M419 M423 Y458 T461 D462 W468 K472 R474 F475	M419-M470 HydrophobicContact CG-CE 3.84Å; M419-M470 HydrophobicContact CG-SD 4.33Å; M419-M470 HydrophobicContact SD-CE 3.65Å; M419-M470 HydrophobicContact SD-SD 4.07Å; M423-M470 HydrophobicContact CE-CE 4.37Å; M423-M470 HydrophobicContact CG-CE 4.34Å; M423-M470 HydrophobicContact SD-CE 3.49Å; M423-M470 WeakPolarHBondContact SD-CE 3.45Å; Y458-M470 HydrophobicContact CD1-CB 3.93Å; Y458-M470 HydrophobicContact CD1-CE 4.47Å; Y458-M470 WeakPolarHBondContact CD1-O 3.41Å; Y458-M470 HydrophobicContact CE1-CE 4.32Å; T461-M470 HydrophobicContact CG2-CG 3.66Å; D462-M470 PolarHBondContact OD1-N 3.49Å; D462-M470 PolarHBondContact OD2-N 3.34Å; W468-M470 HydrophobicContact CB-CG 3.78Å; W468-M470 HydrophobicContact CB-SD 3.91Å; W468-M470 HydrophobicContact CE3-CG 4.17Å; W468-M470 HydrophobicContact CE3-SD 4.01Å; M470-K472 PolarHBondContact O-N 2.97Å; M470-R474 HydrophobicContact CE-CB 3.75Å; M470-R474 HydrophobicContact CE-CG 3.92Å; M470-R474 PolarHBondContact O-N 2.99Å; M470-R474 VanDerWaalsContact O-N 3.08Å; M470-R474 HydrophobicContact SD-CB 3.95Å; M470-R474 HydrophobicContact SD-CG 3.77Å; M470-F475 PolarHBondContact O-N 2.82Å
471	E	94.2	Very high	94.3	Very high	31 Å²	31	35.1 Å²	35.1	15%	0.145	17%	0.167	C	C	.	.	I	π-helix	trans	-66.1	-40.3	-177.8	-176.2	-80.8	148	0	0	112.1	F455 D462 F475 R522	F455-E471 HydrophobicContact CE2-CG 4.46Å; D462-E471 VanDerWaalsContact OD2-CB 3.31Å; D462-E471 WeakPolarHBondContact OD2-CB 3.43Å; D462-E471 PolarHBondContact OD2-N 3.48Å; E471-F475 WeakPolarHBondContact O-CB 3.38Å; E471-R522 WeakPolarHBondContact OE1-CD 3.3Å; E471-R522 IonicContact OE1-CZ 2.66Å; E471-R522 IonicContact OE1-NE 3.47Å; E471-R522 PolarHBondContact OE1-NE 3.28Å; E471-R522 IonicContact OE1-NH2 3.35Å
472	K	90.5	Very high	94.2	Very high	144 Å²	144	37.8 Å²	37.8	63%	0.626	18%	0.18	S	C	*	.	I	π-helix	trans	-82.1	-19.1	-176.4	-66.9	-173.5	179.4	175.1	0	114.2	M470	M470-K472 PolarHBondContact O-N 2.97Å
473	Q	90.6	Very high	94.3	Very high	25 Å²	25	36.3 Å²	36.3	12%	0.117	17%	0.172	C	C	.	.	I	π-helix	trans	-123.1	-73.2	-176.7	-57.6	-165.2	10.7	0	0	112.1	N469 F475 L476 L736	N469-Q473 HydrophobicContact CB-CG 4.09Å; N469-Q473 VanDerWaalsContact O-CB 3.3Å; N469-Q473 WeakPolarHBondContact O-CB 3.42Å; N469-Q473 PolarHBondContact O-N 2.83Å; Q473-F475 PolarHBondContact O-N 3.02Å; Q473-L476 WeakPolarHBondContact O-CB 3.1Å; Q473-L476 PolarHBondContact O-N 3.39Å; Q473-L736 HydrophobicContact CB-CD1 4.27Å; Q473-L736 HydrophobicContact CB-CD2 3.9Å; Q473-L736 HydrophobicContact CB-CG 4.46Å; Q473-L736 HydrophobicContact CG-CD2 4.13Å; Q473-L736 VanDerWaalsContact O-CD1 3.25Å; Q473-L736 WeakPolarHBondContact O-CD1 3.38Å
474	R	92.8	Very high	94.3	Very high	20 Å²	20	32.7 Å²	32.7	8%	0.075	16%	0.156	C	C	.	.	I	π-helix	trans	-56.5	-34.8	-175.2	-83.2	-90.2	-179.5	-157.6	4.5	113	Y458 M470 L476 T477 D478 F735 Y794 E798	Y458-R474 HydrophobicContact CE1-CB 4.22Å; M470-R474 HydrophobicContact CE-CB 3.75Å; M470-R474 HydrophobicContact CE-CG 3.92Å; M470-R474 PolarHBondContact O-N 2.99Å; M470-R474 VanDerWaalsContact O-N 3.08Å; M470-R474 HydrophobicContact SD-CB 3.95Å; M470-R474 HydrophobicContact SD-CG 3.77Å; R474-L476 PolarHBondContact O-N 3.4Å; R474-T477 PolarHBondContact O-N 3.39Å; R474-T477 PolarHBondContact O-OG1 3.26Å; R474-D478 WeakPolarHBondContact CD-OD2 3.49Å; R474-D478 IonicContact NH1-OD1 3.97Å; R474-D478 PolarHBondContact NH1-OD1 2.95Å; R474-D478 IonicContact NH1-OD2 2.75Å; R474-D478 WeakPolarHBondContact O-CB 3.25Å; R474-D478 PolarHBondContact O-N 3.26Å; R474-F735 VanDerWaalsContact CZ-CZ 3.41Å; R474-Y794 PolarHBondContact NE-OH 3.21Å; R474-E798 IonicContact CZ-OE2 3.87Å; R474-E798 IonicContact NH2-OE2 2.8Å; R474-E798 PolarHBondContact NH2-OE2 3.49Å
475	F	97.8	Very high	94.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-54.9	-37.4	175.3	-169.9	-80.4	0	0	0	112.5	F455 Y458 M470 E471 Q473 V479 L480 A518 A519 R522	F455-F475 HydrophobicContact CD2-CE2 4.21Å; Y458-F475 HydrophobicContact CD1-CB 3.91Å; Y458-F475 HydrophobicContact CD1-CD2 4.07Å; Y458-F475 AromaticContact CD2-CD2 3.52Å; Y458-F475 HydrophobicContact CD2-CD2 3.52Å; Y458-F475 HydrophobicContact CD2-CE2 4.04Å; Y458-F475 HydrophobicContact CE1-CB 4.04Å; Y458-F475 HydrophobicContact CE1-CD2 4.35Å; Y458-F475 AromaticContact CE2-CD2 3.82Å; Y458-F475 HydrophobicContact CE2-CD2 3.82Å; Y458-F475 HydrophobicContact CE2-CE2 4.3Å; Y458-F475 HydrophobicContact CG-CB 4.34Å; Y458-F475 AromaticContact CG-CD2 3.68Å; Y458-F475 HydrophobicContact CG-CD2 3.68Å; M470-F475 PolarHBondContact O-N 2.82Å; E471-F475 WeakPolarHBondContact O-CB 3.38Å; Q473-F475 PolarHBondContact O-N 3.02Å; F475-V479 HydrophobicContact CD1-CB 4.14Å; F475-V479 HydrophobicContact CD2-CB 4.26Å; F475-V479 HydrophobicContact CD2-CG2 3.85Å; F475-V479 HydrophobicContact CE1-CB 3.97Å; F475-V479 HydrophobicContact CE1-CG1 4.05Å; F475-V479 HydrophobicContact CE2-CB 4.12Å; F475-V479 HydrophobicContact CE2-CG1 4.08Å; F475-V479 HydrophobicContact CE2-CG2 3.94Å; F475-V479 HydrophobicContact CG-CB 4.26Å; F475-V479 HydrophobicContact CG-CG2 4.15Å; F475-V479 HydrophobicContact CZ-CB 3.97Å; F475-V479 HydrophobicContact CZ-CG1 3.72Å; F475-V479 HydrophobicContact CZ-CG2 4.3Å; F475-V479 WeakPolarHBondContact O-CA 3.19Å; F475-V479 VanDerWaalsContact O-CB 3.28Å; F475-V479 WeakPolarHBondContact O-CB 3.47Å; F475-V479 PolarHBondContact O-N 2.93Å; F475-L480 HydrophobicContact CE1-CB 4.44Å; F475-L480 PolarHBondContact O-N 2.71Å; F475-A518 HydrophobicContact CE2-CB 4.13Å; F475-A518 HydrophobicContact CZ-CB 4.11Å; F475-A519 HydrophobicContact CE1-CB 4.29Å; F475-A519 HydrophobicContact CZ-CB 4.35Å; F475-R522 VanDerWaalsContact CD1-CD 3.46Å; F475-R522 HydrophobicContact CE1-CB 4.36Å; F475-R522 HydrophobicContact CE1-CG 4.47Å; F475-R522 HydrophobicContact CZ-CB 4.07Å
476	L	97.5	Very high	94.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.165	C	C	.	.	I	π-helix	trans	-63.6	-48.2	-177.6	-57.1	-168.9	0	0	0	110.7	Q473 R474 L480 H481 Q669 L736	Q473-L476 WeakPolarHBondContact O-CB 3.1Å; Q473-L476 PolarHBondContact O-N 3.39Å; R474-L476 PolarHBondContact O-N 3.4Å; L476-L480 HydrophobicContact CD2-CD2 4.05Å; L476-L480 WeakPolarHBondContact O-CB 3.39Å; L476-L480 PolarHBondContact O-N 2.58Å; L476-H481 WeakPolarHBondContact O-CB 3.42Å; L476-H481 PolarHBondContact O-CD2 2.9Å; L476-H481 VanDerWaalsContact O-CD2 3.26Å; L476-H481 PolarHBondContact O-N 3.03Å; L476-H481 PolarHBondContact O-ND1 3.08Å; L476-Q669 HydrophobicContact CD1-CB 4.35Å; L476-Q669 HydrophobicContact CD2-CB 4.04Å; L476-L736 HydrophobicContact CD1-CD2 4.08Å
477	T	95.3	Very high	94.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.137	C	C	.	.	I	π-helix	trans	-83.8	-32.5	-176.4	51.2	0	0	0	0	113.6	R474 L736 H739 A740	R474-T477 PolarHBondContact O-N 3.39Å; R474-T477 PolarHBondContact O-OG1 3.26Å; T477-L736 HydrophobicContact CG2-CD1 3.62Å; T477-H739 PolarHBondContact OG1-CD2 2.96Å; T477-A740 HydrophobicContact CG2-CB 4.4Å
478	D	95.3	Very high	94.5	Very high	25 Å²	25	22.5 Å²	22.5	13%	0.134	11%	0.106	C	C	.	.	I	π-helix	trans	-92	-25	-169.5	-56.8	2	0	0	0	111.5	Y458 R474 K515 H739	Y458-D478 WeakPolarHBondContact OH-CB 3.4Å; R474-D478 WeakPolarHBondContact CD-OD2 3.49Å; R474-D478 IonicContact NH1-OD1 3.97Å; R474-D478 PolarHBondContact NH1-OD1 2.95Å; R474-D478 IonicContact NH1-OD2 2.75Å; R474-D478 WeakPolarHBondContact O-CB 3.25Å; R474-D478 PolarHBondContact O-N 3.26Å; D478-K515 WeakPolarHBondContact O-CE 3.24Å; D478-K515 PolarHBondContact O-NZ 3.46Å; D478-H739 IonicContact OD1-NE2 3.5Å
479	V	97.9	Very high	94.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	I	π-helix	trans	-113.4	-68.2	178.3	-169.5	0	0	0	0	110.7	Y458 F475 E482 V483 K515 A518	Y458-V479 HydrophobicContact CD2-CG2 4.42Å; Y458-V479 HydrophobicContact CE1-CG2 4.41Å; Y458-V479 HydrophobicContact CE2-CG2 3.38Å; Y458-V479 WeakPolarHBondContact OH-CG2 3.4Å; F475-V479 HydrophobicContact CD1-CB 4.14Å; F475-V479 HydrophobicContact CD2-CB 4.26Å; F475-V479 HydrophobicContact CD2-CG2 3.85Å; F475-V479 HydrophobicContact CE1-CB 3.97Å; F475-V479 HydrophobicContact CE1-CG1 4.05Å; F475-V479 HydrophobicContact CE2-CB 4.12Å; F475-V479 HydrophobicContact CE2-CG1 4.08Å; F475-V479 HydrophobicContact CE2-CG2 3.94Å; F475-V479 HydrophobicContact CG-CB 4.26Å; F475-V479 HydrophobicContact CG-CG2 4.15Å; F475-V479 HydrophobicContact CZ-CB 3.97Å; F475-V479 HydrophobicContact CZ-CG1 3.72Å; F475-V479 HydrophobicContact CZ-CG2 4.3Å; F475-V479 WeakPolarHBondContact O-CA 3.19Å; F475-V479 VanDerWaalsContact O-CB 3.28Å; F475-V479 WeakPolarHBondContact O-CB 3.47Å; F475-V479 PolarHBondContact O-N 2.93Å; V479-E482 PolarHBondContact O-N 2.93Å; V479-V483 VanDerWaalsContact O-CG1 3.26Å; V479-V483 WeakPolarHBondContact O-CG1 3.29Å; V479-V483 PolarHBondContact O-N 2.68Å; V479-K515 HydrophobicContact CG1-CB 3.67Å; V479-K515 HydrophobicContact CG1-CG 4.05Å; V479-K515 VanDerWaalsContact CG1-O 3.31Å; V479-K515 WeakPolarHBondContact CG1-O 3.42Å; V479-A518 HydrophobicContact CG1-CB 4.26Å
480	L	98.3	Very high	94.6	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	11%	0.106	C	C	.	.	I	π-helix	trans	-63.6	-57.3	-165.8	178.8	66.8	0	0	0	112.2	F475 L476 E482 M484 A519 Q669 Y672	F475-L480 HydrophobicContact CE1-CB 4.44Å; F475-L480 PolarHBondContact O-N 2.71Å; L476-L480 HydrophobicContact CD2-CD2 4.05Å; L476-L480 WeakPolarHBondContact O-CB 3.39Å; L476-L480 PolarHBondContact O-N 2.58Å; L480-E482 VanDerWaalsContact C-N 3.3Å; L480-E482 PolarHBondContact O-N 2.89Å; L480-M484 HydrophobicContact CD1-CE 3.58Å; L480-M484 HydrophobicContact CD1-SD 4.16Å; L480-M484 HydrophobicContact CG-CE 4.23Å; L480-M484 HydrophobicContact CG-SD 4.28Å; L480-M484 WeakPolarHBondContact O-CB 3.49Å; L480-M484 VanDerWaalsContact O-CG 3.27Å; L480-M484 WeakPolarHBondContact O-CG 3.29Å; L480-M484 PolarHBondContact O-N 2.89Å; L480-M484 VanDerWaalsContact O-N 3.16Å; L480-A519 HydrophobicContact CD1-CB 4.17Å; L480-Q669 HydrophobicContact CD2-CB 3.74Å; L480-Q669 WeakPolarHBondContact CD2-O 3.48Å; L480-Y672 HydrophobicContact CD1-CD2 3.52Å; L480-Y672 HydrophobicContact CD1-CE2 4.04Å
481	H	97.5	Very high	94.3	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-62.5	-40.5	-178.6	-61.8	169.2	0	0	0	111.1	L476 L485 Q669 D706	L476-H481 WeakPolarHBondContact O-CB 3.42Å; L476-H481 PolarHBondContact O-CD2 2.9Å; L476-H481 VanDerWaalsContact O-CD2 3.26Å; L476-H481 PolarHBondContact O-N 3.03Å; L476-H481 PolarHBondContact O-ND1 3.08Å; H481-L485 WeakPolarHBondContact O-CG 3.07Å; H481-L485 PolarHBondContact O-N 2.89Å; H481-Q669 PolarHBondContact NE2-NE2 3.12Å; H481-Q669 PolarHBondContact NE2-OE1 3.19Å; H481-D706 IonicContact CD2-OD2 2.73Å; H481-D706 PolarHBondContact CD2-OD2 2.84Å; H481-D706 VanDerWaalsContact CG-CG 3.42Å; H481-D706 IonicContact CG-OD1 3.74Å; H481-D706 IonicContact CG-OD2 2.83Å
482	E	95.8	Very high	94.2	Very high	56 Å²	56	21.6 Å²	21.6	26%	0.262	12%	0.116	S	C	.	.	H	α-helix	trans	-67.3	-49.4	-177.3	-167.3	170.9	131.6	0	0	112.8	V479 L480 M484 L485 K515 R743	V479-E482 PolarHBondContact O-N 2.93Å; L480-E482 VanDerWaalsContact C-N 3.3Å; L480-E482 PolarHBondContact O-N 2.89Å; E482-M484 VanDerWaalsContact C-N 3.26Å; E482-M484 PolarHBondContact O-N 3.35Å; E482-L485 WeakPolarHBondContact O-CB 3.4Å; E482-L485 PolarHBondContact O-N 2.97Å; E482-L485 VanDerWaalsContact O-N 3.08Å; E482-K515 IonicContact OE1-NZ 3.77Å; E482-K515 PolarHBondContact OE1-NZ 3.41Å; E482-K515 IonicContact OE2-NZ 3.97Å; E482-K515 PolarHBondContact OE2-NZ 3.21Å; E482-R743 IonicContact OE2-CZ 3.67Å; E482-R743 IonicContact OE2-NH1 3.69Å; E482-R743 IonicContact OE2-NH2 2.82Å; E482-R743 PolarHBondContact OE2-NH2 3.04Å
483	V	97	Very high	94.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.2	-29.4	-179	73.5	0	0	0	0	111.8	V479 L485 L486 D487 I512 K515 K516 Y672	V479-V483 VanDerWaalsContact O-CG1 3.26Å; V479-V483 WeakPolarHBondContact O-CG1 3.29Å; V479-V483 PolarHBondContact O-N 2.68Å; V483-L485 PolarHBondContact O-N 3.35Å; V483-L486 PolarHBondContact O-N 3.31Å; V483-L486 VanDerWaalsContact O-N 3.09Å; V483-D487 WeakPolarHBondContact O-CB 3.15Å; V483-D487 PolarHBondContact O-N 3.28Å; V483-I512 HydrophobicContact CG2-CD1 3.95Å; V483-K515 HydrophobicContact CB-CB 3.5Å; V483-K515 VanDerWaalsContact CB-CB 3.5Å; V483-K515 HydrophobicContact CB-CD 4.32Å; V483-K515 HydrophobicContact CG1-CB 3.96Å; V483-K515 HydrophobicContact CG2-CB 3.75Å; V483-K516 HydrophobicContact CG2-CB 4.03Å; V483-Y672 HydrophobicContact CG1-CE2 3.61Å
484	M	97.6	Very high	94.4	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-63.2	-25.8	172.5	-80.1	-179.3	170.3	0	0	112.9	L480 E482 G488 Y584 Y672 R674	L480-M484 HydrophobicContact CD1-CE 3.58Å; L480-M484 HydrophobicContact CD1-SD 4.16Å; L480-M484 HydrophobicContact CG-CE 4.23Å; L480-M484 HydrophobicContact CG-SD 4.28Å; L480-M484 WeakPolarHBondContact O-CB 3.49Å; L480-M484 VanDerWaalsContact O-CG 3.27Å; L480-M484 WeakPolarHBondContact O-CG 3.29Å; L480-M484 PolarHBondContact O-N 2.89Å; L480-M484 VanDerWaalsContact O-N 3.16Å; E482-M484 VanDerWaalsContact C-N 3.26Å; E482-M484 PolarHBondContact O-N 3.35Å; M484-G488 PolarHBondContact O-N 3.03Å; M484-G488 VanDerWaalsContact O-N 3.14Å; M484-Y584 HydrophobicContact CB-CE1 3.78Å; M484-Y584 HydrophobicContact CE-CD2 4.47Å; M484-Y584 HydrophobicContact CG-CD1 4.17Å; M484-Y584 HydrophobicContact CG-CE1 3.79Å; M484-Y584 HydrophobicContact CG-CE2 4.27Å; M484-Y584 VanDerWaalsContact O-CE1 3.23Å; M484-Y584 WeakPolarHBondContact O-CE1 3.3Å; M484-Y584 PolarHBondContact O-OH 2.88Å; M484-Y584 HydrophobicContact SD-CE2 4.45Å; M484-Y672 HydrophobicContact CE-CD2 3.84Å; M484-Y672 HydrophobicContact CE-CE2 4.12Å; M484-Y672 HydrophobicContact CE-CG 4.17Å; M484-Y672 HydrophobicContact CG-CE2 3.92Å; M484-R674 HydrophobicContact SD-CG 4.15Å
485	L	94.2	Very high	94.5	Very high	51 Å²	51	14.8 Å²	14.8	27%	0.267	9%	0.09	S	C	.	.	H	α-helix	trans	-67	-40.5	172.1	-57.6	-179.2	0	0	0	111.2	H481 E482 V483 Y611 N710	H481-L485 WeakPolarHBondContact O-CG 3.07Å; H481-L485 PolarHBondContact O-N 2.89Å; E482-L485 WeakPolarHBondContact O-CB 3.4Å; E482-L485 PolarHBondContact O-N 2.97Å; E482-L485 VanDerWaalsContact O-N 3.08Å; V483-L485 PolarHBondContact O-N 3.35Å; L485-Y611 WeakPolarHBondContact CD2-OH 3.14Å; L485-N710 VanDerWaalsContact CD2-OD1 3.22Å; L485-N710 WeakPolarHBondContact CD2-OD1 3.35Å
486	L	92.1	Very high	94.2	Very high	32 Å²	32	15.5 Å²	15.5	17%	0.168	10%	0.095	C	C	.	.	H	α-helix	trans	-74.2	-44.9	179.8	-61.7	176.5	0	0	0	111.5	V483 G488 L489 W511 I512	V483-L486 PolarHBondContact O-N 3.31Å; V483-L486 VanDerWaalsContact O-N 3.09Å; L486-G488 PolarHBondContact O-N 3.39Å; L486-L489 VanDerWaalsContact O-CB 3.3Å; L486-L489 WeakPolarHBondContact O-CB 3.07Å; L486-L489 WeakPolarHBondContact O-CG 2.85Å; L486-L489 PolarHBondContact O-N 3.45Å; L486-W511 HydrophobicContact CD1-CB 3.72Å; L486-W511 HydrophobicContact CD1-CG 4.29Å; L486-I512 HydrophobicContact CB-CD1 4.48Å
487	D	95.3	Very high	93.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-78.7	-8.6	-175.9	-159.6	34.1	0	0	0	113	V483 L489 S492 I512 K516 G583 Y584 Y672	V483-D487 WeakPolarHBondContact O-CB 3.15Å; V483-D487 PolarHBondContact O-N 3.28Å; D487-L489 VanDerWaalsContact C-N 3.3Å; D487-S492 WeakPolarHBondContact OD1-CB 3.48Å; D487-S492 PolarHBondContact OD1-OG 3.34Å; D487-I512 HydrophobicContact CB-CD1 3.89Å; D487-K516 IonicContact OD1-NZ 3.49Å; D487-K516 WeakPolarHBondContact OD2-CD 3.38Å; D487-K516 WeakPolarHBondContact OD2-CE 3.45Å; D487-K516 IonicContact OD2-NZ 2.65Å; D487-K516 PolarHBondContact OD2-NZ 2.95Å; D487-G583 VanDerWaalsContact CG-CA 3.43Å; D487-G583 WeakPolarHBondContact O-CA 3.44Å; D487-G583 WeakPolarHBondContact OD1-CA 3.31Å; D487-G583 PolarHBondContact OD1-N 2.91Å; D487-G583 VanDerWaalsContact OD2-C 3.25Å; D487-G583 VanDerWaalsContact OD2-CA 3.22Å; D487-G583 WeakPolarHBondContact OD2-CA 3.33Å; D487-G583 PolarHBondContact OD2-N 2.97Å; D487-Y584 HydrophobicContact CB-CD1 4Å; D487-Y584 HydrophobicContact CB-CE1 4.04Å; D487-Y672 WeakPolarHBondContact CB-OH 3.29Å; D487-Y672 PolarHBondContact OD2-OH 3.41Å
488	G	93.7	Very high	93.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	3.6	169.8	0	0	0	0	0	114.2	M484 L486 L610 Y611	M484-G488 PolarHBondContact O-N 3.03Å; M484-G488 VanDerWaalsContact O-N 3.14Å; L486-G488 PolarHBondContact O-N 3.39Å; G488-L610 WeakPolarHBondContact O-CA 3.43Å; G488-Y611 WeakPolarHBondContact O-CD2 3.08Å; G488-Y611 PolarHBondContact O-N 2.93Å
489	L	91.3	Very high	92.9	Very high	11 Å²	11	24.2 Å²	24.2	6%	0.058	14%	0.135	C	C	.	.	S	Bend	trans	-90.8	147.1	175.2	-60.8	176.2	0	0	0	110.7	L486 D487 S491 S492 Y611 R981 E984 I985	L486-L489 VanDerWaalsContact O-CB 3.3Å; L486-L489 WeakPolarHBondContact O-CB 3.07Å; L486-L489 WeakPolarHBondContact O-CG 2.85Å; L486-L489 PolarHBondContact O-N 3.45Å; D487-L489 VanDerWaalsContact C-N 3.3Å; L489-S491 PolarHBondContact O-N 3.01Å; L489-S492 WeakPolarHBondContact O-CB 3.26Å; L489-S492 PolarHBondContact O-N 3.34Å; L489-Y611 HydrophobicContact CD2-CD2 4.26Å; L489-R981 HydrophobicContact CD1-CG 3.98Å; L489-E984 HydrophobicContact CD2-CG 4.32Å; L489-I985 HydrophobicContact CD1-CD1 4.25Å; L489-I985 HydrophobicContact CD1-CG1 3.97Å
490	G	88.7	Confident	92.1	Very high	33 Å²	33	29.4 Å²	29.4	34%	0.34	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.6	174	0	0	0	0	0	113.8	S492 E984	G490-S492 VanDerWaalsContact C-N 3.33Å; G490-E984 PolarHBondContact N-OE1 2.8Å; G490-E984 PolarHBondContact N-OE2 3.01Å
491	S	87.8	Confident	91.2	Very high	38 Å²	38	33.4 Å²	33.4	27%	0.266	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	8.2	172.2	56	0	0	0	0	114.8	L489 E984	L489-S491 PolarHBondContact O-N 3.01Å; S491-E984 WeakPolarHBondContact CB-OE2 3.48Å; S491-E984 PolarHBondContact N-OE2 3.36Å; S491-E984 PolarHBondContact OG-OE2 3.48Å
492	S	91.4	Very high	90	Very high	14 Å²	14	35.4 Å²	35.4	10%	0.098	19%	0.194	C	C	.	.			trans	-68.4	178.2	172.1	-162.7	0	0	0	0	112.1	D487 L489 G490	D487-S492 WeakPolarHBondContact OD1-CB 3.48Å; D487-S492 PolarHBondContact OD1-OG 3.34Å; L489-S492 WeakPolarHBondContact O-CB 3.26Å; L489-S492 PolarHBondContact O-N 3.34Å; G490-S492 VanDerWaalsContact C-N 3.33Å
493	H	91.6	Very high	89	Confident	16 Å²	16	37.4 Å²	37.4	7%	0.074	21%	0.21	C	C	.	.			trans	-145.9	161.2	178.1	59.4	92.2	0	0	0	111.7	R507 D510	H493-R507 PolarHBondContact CE1-O 3.43Å; H493-R507 PolarHBondContact NE2-O 3.39Å; H493-D510 IonicContact CE1-OD1 2.61Å; H493-D510 IonicContact NE2-OD1 3.15Å; H493-D510 PolarHBondContact NE2-OD1 2.86Å; H493-D510 IonicContact NE2-OD2 3.05Å; H493-D510 PolarHBondContact NE2-OD2 3.01Å
494	P	94.3	Very high	88.1	Confident	28 Å²	28	38.4 Å²	38.4	18%	0.182	22%	0.216	C	C	.	.			trans	-58.2	149.1	167.2	-21.8	34.3	0	0	0	111.4	S496	P494-S496 VanDerWaalsContact C-N 3.34Å; P494-S496 WeakPolarHBondContact CB-O 3.44Å
495	I	94	Very high	87.4	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.01	22%	0.216	C	C	.	.	S	Bend	trans	-72.8	-29.7	178	-171.4	174.4	0	0	0	112.4	W447 I512 K516 L520 T579	W447-I495 HydrophobicContact CB-CD1 3.54Å; W447-I495 HydrophobicContact CB-CG1 3.54Å; W447-I495 HydrophobicContact CD2-CD1 4.07Å; W447-I495 HydrophobicContact CD2-CG1 4.34Å; W447-I495 HydrophobicContact CE3-CD1 4.29Å; W447-I495 HydrophobicContact CG-CD1 3.74Å; W447-I495 HydrophobicContact CG-CG1 3.64Å; I495-I512 HydrophobicContact CB-CG2 4.05Å; I495-I512 HydrophobicContact CG1-CG2 4.28Å; I495-K516 HydrophobicContact CD1-CB 4.4Å; I495-K516 HydrophobicContact CD1-CG 4.45Å; I495-L520 HydrophobicContact CG2-CD1 4.39Å; I495-T579 VanDerWaalsContact CG2-CA 3.49Å; I495-T579 HydrophobicContact CG2-CG2 3.82Å; I495-T579 WeakPolarHBondContact CG2-O 3.16Å; I495-T579 PolarHBondContact N-O 3.05Å
496	S	92.4	Very high	86.5	Confident	15 Å²	15	38.2 Å²	38.2	11%	0.105	22%	0.215	C	C	.	.	S	Bend	trans	-106.2	110.7	167.2	-174.1	0	0	0	0	108.1	E444 D445 P494 T579	E444-S496 WeakPolarHBondContact O-CA 3.49Å; D445-S496 WeakPolarHBondContact OD1-CB 3.44Å; D445-S496 PolarHBondContact OD1-OG 3.03Å; P494-S496 VanDerWaalsContact C-N 3.34Å; P494-S496 WeakPolarHBondContact CB-O 3.44Å; S496-T579 PolarHBondContact N-O 2.99Å; S496-T579 VanDerWaalsContact N-O 3.1Å
497	Q	88.3	Confident	85.9	Confident	62 Å²	62	42.2 Å²	42.2	29%	0.29	23%	0.228	S	C	.	.			trans	-137.8	140.9	-175.2	-179.7	176.9	25	0	0	110.4	E444 V499 V508	E444-Q497 WeakPolarHBondContact CA-O 3.27Å; E444-Q497 WeakPolarHBondContact CB-O 3.29Å; Q497-V499 PolarHBondContact O-N 3.41Å; Q497-V508 HydrophobicContact CB-CG1 4.19Å
498	E	86.7	Confident	85.3	Confident	141 Å²	141	42.4 Å²	42.4	66%	0.659	23%	0.229	S	C	*	.			trans	-59	134.7	178.4	-171.8	168	-155.5	0	0	112.4	E500	E498-E500 HydrophobicContact CG-CG 4.23Å
499	V	85.4	Confident	84.9	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.03	23%	0.231	C	C	.	.			trans	-124.5	106.1	178.5	176.1	0	0	0	0	107.9	W442 W443 Q497 D504 I505 V508	W442-V499 HydrophobicContact CZ2-CG1 4.48Å; W442-V499 PolarHBondContact NE1-O 3.38Å; W443-V499 HydrophobicContact CB-CG1 4.42Å; W443-V499 HydrophobicContact CB-CG2 4.41Å; Q497-V499 PolarHBondContact O-N 3.41Å; V499-D504 HydrophobicContact CG1-CB 4.03Å; V499-I505 HydrophobicContact CG1-CG1 3.78Å; V499-V508 HydrophobicContact CG2-CB 4.37Å; V499-V508 HydrophobicContact CG2-CG1 3.68Å; V499-V508 HydrophobicContact CG2-CG2 3.73Å
500	E	79.9	Confident	84.7	Confident	110 Å²	110	42.7 Å²	42.7	51%	0.514	23%	0.23	S	C	.	.			trans	-92.1	-43.8	-177.7	-66.2	-170.8	167.8	0	0	112.2	S116 E498 D504	S116-E500 WeakPolarHBondContact CB-O 3.2Å; E498-E500 HydrophobicContact CG-CG 4.23Å; E500-D504 PolarHBondContact N-OD2 3.4Å
501	Q	79.6	Confident	84.8	Confident	86 Å²	86	45.9 Å²	45.9	40%	0.402	23%	0.232	S	C	.	.	S	Bend	trans	-120.7	161.9	-173.3	-44.4	-167.5	11.1	0	0	111.9	S116 T503 D504	S116-Q501 WeakPolarHBondContact OG-CG 3.32Å; Q501-T503 PolarHBondContact O-N 3.36Å; Q501-D504 PolarHBondContact N-OD2 3.3Å; Q501-D504 WeakPolarHBondContact O-CB 3.37Å; Q501-D504 PolarHBondContact O-N 3.33Å
502	A	73.9	Confident	85.2	Confident	42 Å²	42	44 Å²	44	35%	0.347	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-52.6	-39	178	0	0	0	0	0	113.2	I257 D504 I505	I257-A502 HydrophobicContact CD1-CB 3.46Å; I257-A502 VanDerWaalsContact CD1-CB 3.46Å; A502-D504 PolarHBondContact O-N 3.04Å; A502-I505 WeakPolarHBondContact O-CB 3.45Å; A502-I505 WeakPolarHBondContact O-CG1 3.49Å; A502-I505 PolarHBondContact O-N 3.31Å
503	T	74.5	Confident	85.3	Confident	98 Å²	98	43.4 Å²	43.4	60%	0.601	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-70.9	-12.9	179.5	51.7	0	0	0	0	114.3	Q501	Q501-T503 PolarHBondContact O-N 3.36Å
504	D	78.4	Confident	85.5	Confident	21 Å²	21	44.2 Å²	44.2	11%	0.112	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-84.5	-15.8	177	-60.9	-45.2	0	0	0	112.1	V499 E500 Q501 A502 D506 R507	V499-D504 HydrophobicContact CG1-CB 4.03Å; E500-D504 PolarHBondContact N-OD2 3.4Å; Q501-D504 PolarHBondContact N-OD2 3.3Å; Q501-D504 WeakPolarHBondContact O-CB 3.37Å; Q501-D504 PolarHBondContact O-N 3.33Å; A502-D504 PolarHBondContact O-N 3.04Å; D504-D506 PolarHBondContact O-N 3Å; D504-R507 VanDerWaalsContact O-CB 3.28Å; D504-R507 WeakPolarHBondContact O-CB 3.49Å; D504-R507 PolarHBondContact O-N 3.28Å; D504-R507 IonicContact OD1-CZ 3.84Å; D504-R507 VanDerWaalsContact OD1-CZ 3.25Å; D504-R507 IonicContact OD1-NH1 2.8Å; D504-R507 PolarHBondContact OD1-NH1 3.45Å; D504-R507 IonicContact OD1-NH2 3.07Å
505	I	81.6	Confident	85.7	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-61.2	-37	-176.6	-63.6	175.7	0	0	0	111	P256 I257 W443 V499 A502 R507 V508 F509 L941	P256-I505 HydrophobicContact CB-CG2 3.86Å; P256-I505 HydrophobicContact CG-CD1 4.5Å; P256-I505 HydrophobicContact CG-CG2 3.58Å; I257-I505 HydrophobicContact CB-CD1 4.47Å; I257-I505 HydrophobicContact CD1-CD1 4.21Å; I257-I505 HydrophobicContact CG1-CD1 4.28Å; I257-I505 HydrophobicContact CG2-CD1 3.42Å; I257-I505 VanDerWaalsContact CG2-CD1 3.42Å; W443-I505 HydrophobicContact CG-CD1 4.42Å; W443-I505 HydrophobicContact CG-CG1 4.42Å; V499-I505 HydrophobicContact CG1-CG1 3.78Å; A502-I505 WeakPolarHBondContact O-CB 3.45Å; A502-I505 WeakPolarHBondContact O-CG1 3.49Å; A502-I505 PolarHBondContact O-N 3.31Å; I505-R507 PolarHBondContact O-N 3.11Å; I505-V508 VanDerWaalsContact O-CG2 3.32Å; I505-V508 WeakPolarHBondContact O-CG2 3.28Å; I505-V508 PolarHBondContact O-N 2.88Å; I505-F509 HydrophobicContact CG2-CD2 3.26Å; I505-F509 HydrophobicContact CG2-CE2 3.46Å; I505-F509 VanDerWaalsContact CG2-CE2 3.46Å; I505-F509 HydrophobicContact CG2-CG 4.22Å; I505-F509 PolarHBondContact O-N 3.38Å; I505-L941 HydrophobicContact CG2-CD1 4.44Å
506	D	75.2	Confident	85.9	Confident	48 Å²	48	43.5 Å²	43.5	26%	0.257	21%	0.211	S	C	.	.	H	α-helix	trans	-53.6	-25.2	174	-57.3	28.2	0	0	0	113.3	D504 L941	D504-D506 PolarHBondContact O-N 3Å; D506-L941 HydrophobicContact CB-CD2 3.84Å; D506-L941 WeakPolarHBondContact OD1-CD2 3.22Å; D506-L941 WeakPolarHBondContact OD2-CD2 3.35Å
507	R	79	Confident	86.2	Confident	116 Å²	116	42.8 Å²	42.8	44%	0.438	21%	0.206	S	C	.	.	H	α-helix	trans	-80	-27	-179.9	-59	-178.8	-177	143.3	9.9	113.3	H493 D504 I505 P977	H493-R507 PolarHBondContact CE1-O 3.43Å; H493-R507 PolarHBondContact NE2-O 3.39Å; D504-R507 VanDerWaalsContact O-CB 3.28Å; D504-R507 WeakPolarHBondContact O-CB 3.49Å; D504-R507 PolarHBondContact O-N 3.28Å; D504-R507 IonicContact OD1-CZ 3.84Å; D504-R507 VanDerWaalsContact OD1-CZ 3.25Å; D504-R507 IonicContact OD1-NH1 2.8Å; D504-R507 PolarHBondContact OD1-NH1 3.45Å; D504-R507 IonicContact OD1-NH2 3.07Å; I505-R507 PolarHBondContact O-N 3.11Å; R507-P977 HydrophobicContact CG-CG 4.24Å
508	V	84.5	Confident	86.6	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-103.4	-22.7	-178.2	-60.6	0	0	0	0	112.3	W443 V446 Q497 V499 I505 D510 A513	W443-V508 HydrophobicContact CB-CG2 4.31Å; W443-V508 WeakPolarHBondContact O-CG2 3.49Å; V446-V508 HydrophobicContact CG1-CB 4.07Å; V446-V508 HydrophobicContact CG1-CG2 4.11Å; V446-V508 WeakPolarHBondContact CG1-O 3.42Å; Q497-V508 HydrophobicContact CB-CG1 4.19Å; V499-V508 HydrophobicContact CG2-CB 4.37Å; V499-V508 HydrophobicContact CG2-CG1 3.68Å; V499-V508 HydrophobicContact CG2-CG2 3.73Å; I505-V508 VanDerWaalsContact O-CG2 3.32Å; I505-V508 WeakPolarHBondContact O-CG2 3.28Å; I505-V508 PolarHBondContact O-N 2.88Å; V508-D510 VanDerWaalsContact C-N 3.31Å; V508-D510 PolarHBondContact O-N 3.1Å; V508-D510 VanDerWaalsContact O-N 3.13Å; V508-A513 WeakPolarHBondContact O-CB 3.37Å
509	F	84.6	Confident	87.2	Confident	9 Å²	9	33.2 Å²	33.2	4%	0.039	16%	0.162	C	C	.	.	S	Bend	trans	-85.9	68.6	172.6	-84	-98.9	0	0	0	111.6	P256 W443 V446 I505 L941	P256-F509 HydrophobicContact CB-CE2 4.03Å; P256-F509 HydrophobicContact CB-CZ 3.87Å; W443-F509 HydrophobicContact CB-CE2 4.16Å; W443-F509 AromaticContact CD2-CE2 3.76Å; W443-F509 HydrophobicContact CD2-CE2 3.76Å; W443-F509 HydrophobicContact CD2-CZ 4.01Å; W443-F509 AromaticContact CE3-CE2 3.46Å; W443-F509 HydrophobicContact CE3-CE2 3.46Å; W443-F509 VanDerWaalsContact CE3-CE2 3.46Å; W443-F509 AromaticContact CE3-CZ 3.33Å; W443-F509 HydrophobicContact CE3-CZ 3.33Å; W443-F509 HydrophobicContact CG-CE2 4.1Å; W443-F509 HydrophobicContact CH2-CZ 4.22Å; W443-F509 HydrophobicContact CZ3-CE2 4.1Å; W443-F509 AromaticContact CZ3-CZ 3.48Å; W443-F509 HydrophobicContact CZ3-CZ 3.48Å; W443-F509 VanDerWaalsContact CZ3-CZ 3.48Å; V446-F509 HydrophobicContact CB-CD2 4.49Å; V446-F509 HydrophobicContact CB-CE2 4.08Å; V446-F509 HydrophobicContact CB-CZ 4.24Å; V446-F509 HydrophobicContact CG1-CD2 4.4Å; V446-F509 HydrophobicContact CG1-CE2 4.47Å; V446-F509 HydrophobicContact CG2-CD1 4.01Å; V446-F509 HydrophobicContact CG2-CD2 4.13Å; V446-F509 HydrophobicContact CG2-CE1 3.52Å; V446-F509 HydrophobicContact CG2-CE2 3.65Å; V446-F509 HydrophobicContact CG2-CG 4.32Å; V446-F509 HydrophobicContact CG2-CZ 3.34Å; I505-F509 HydrophobicContact CG2-CD2 3.26Å; I505-F509 HydrophobicContact CG2-CE2 3.46Å; I505-F509 VanDerWaalsContact CG2-CE2 3.46Å; I505-F509 HydrophobicContact CG2-CG 4.22Å; I505-F509 PolarHBondContact O-N 3.38Å; F509-L941 HydrophobicContact CB-CD1 3.66Å; F509-L941 HydrophobicContact CG-CD1 4.14Å
510	D	87.4	Confident	87.8	Confident	9 Å²	9	33 Å²	33	5%	0.048	16%	0.161	C	C	.	.	S	Bend	trans	-142	-177.1	-179.7	92.7	-24.3	0	0	0	112.6	H493 V508 I512 A513 Y514 R981	H493-D510 IonicContact CE1-OD1 2.61Å; H493-D510 IonicContact NE2-OD1 3.15Å; H493-D510 PolarHBondContact NE2-OD1 2.86Å; H493-D510 IonicContact NE2-OD2 3.05Å; H493-D510 PolarHBondContact NE2-OD2 3.01Å; V508-D510 VanDerWaalsContact C-N 3.31Å; V508-D510 PolarHBondContact O-N 3.1Å; V508-D510 VanDerWaalsContact O-N 3.13Å; D510-I512 PolarHBondContact O-N 2.94Å; D510-I512 VanDerWaalsContact O-N 3.09Å; D510-I512 WeakPolarHBondContact OD1-CA 2.93Å; D510-I512 WeakPolarHBondContact OD1-CB 3.2Å; D510-I512 PolarHBondContact OD1-N 3.11Å; D510-A513 PolarHBondContact O-N 3.24Å; D510-A513 VanDerWaalsContact O-N 3.13Å; D510-Y514 VanDerWaalsContact O-CD2 3.24Å; D510-Y514 WeakPolarHBondContact O-CD2 3.18Å; D510-Y514 PolarHBondContact O-N 3.05Å; D510-R981 IonicContact OD2-CZ 2.71Å; D510-R981 IonicContact OD2-NH1 3.32Å; D510-R981 PolarHBondContact OD2-NH1 2.71Å; D510-R981 IonicContact OD2-NH2 3.27Å; D510-R981 PolarHBondContact OD2-NH2 3.26Å
511	W	91.2	Very high	88.7	Confident	99 Å²	99	28 Å²	28	38%	0.375	14%	0.137	S	C	.	.	H	α-helix	trans	-62.1	-16	-178.4	-68.3	119.6	0	0	0	114.8	L486 K515	L486-W511 HydrophobicContact CD1-CB 3.72Å; L486-W511 HydrophobicContact CD1-CG 4.29Å; W511-K515 HydrophobicContact CD2-CD 4.43Å; W511-K515 HydrophobicContact CE3-CD 3.92Å; W511-K515 VanDerWaalsContact CE3-CE 3.41Å; W511-K515 HydrophobicContact CE3-CG 3.92Å; W511-K515 VanDerWaalsContact O-CB 3.28Å; W511-K515 WeakPolarHBondContact O-CB 3.37Å; W511-K515 PolarHBondContact O-N 3.29Å
512	I	94.4	Very high	89.6	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	I	π-helix	trans	-68.1	-50.4	171.9	-58.6	-61.3	0	0	0	109.5	V483 L486 D487 I495 D510 Y514 K516 G517	V483-I512 HydrophobicContact CG2-CD1 3.95Å; L486-I512 HydrophobicContact CB-CD1 4.48Å; D487-I512 HydrophobicContact CB-CD1 3.89Å; I495-I512 HydrophobicContact CB-CG2 4.05Å; I495-I512 HydrophobicContact CG1-CG2 4.28Å; D510-I512 PolarHBondContact O-N 2.94Å; D510-I512 VanDerWaalsContact O-N 3.09Å; D510-I512 WeakPolarHBondContact OD1-CA 2.93Å; D510-I512 WeakPolarHBondContact OD1-CB 3.2Å; D510-I512 PolarHBondContact OD1-N 3.11Å; I512-Y514 VanDerWaalsContact C-N 3.28Å; I512-Y514 PolarHBondContact O-N 3.24Å; I512-K516 HydrophobicContact CG2-CB 4.07Å; I512-K516 HydrophobicContact CG2-CD 3.88Å; I512-K516 WeakPolarHBondContact O-CA 3.26Å; I512-K516 WeakPolarHBondContact O-CB 3.27Å; I512-K516 PolarHBondContact O-N 3.15Å; I512-G517 PolarHBondContact O-N 3.36Å
513	A	94.6	Very high	90.7	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.008	10%	0.103	C	C	.	.	I	π-helix	trans	-59.3	-38.5	179.2	0	0	0	0	0	113.3	V446 W447 G451 V508 D510	V446-A513 HydrophobicContact CG1-CB 3.85Å; W447-A513 HydrophobicContact CB-CB 4.12Å; G451-A513 PolarHBondContact N-O 2.76Å; V508-A513 WeakPolarHBondContact O-CB 3.37Å; D510-A513 PolarHBondContact O-N 3.24Å; D510-A513 VanDerWaalsContact O-N 3.13Å
514	Y	96.3	Very high	91.8	Very high	33 Å²	33	17.8 Å²	17.8	13%	0.129	8%	0.076	C	C	.	.	I	π-helix	trans	-78.1	-63.7	179.7	-71.7	-110.6	0	0	0	111.3	E450 H454 D510 I512 A518 F942	E450-Y514 HydrophobicContact CB-CD1 3.94Å; E450-Y514 HydrophobicContact CB-CD2 3.83Å; E450-Y514 HydrophobicContact CB-CE1 3.91Å; E450-Y514 HydrophobicContact CB-CE2 3.8Å; E450-Y514 HydrophobicContact CB-CG 3.92Å; E450-Y514 HydrophobicContact CG-CD2 4.16Å; E450-Y514 HydrophobicContact CG-CE1 4Å; E450-Y514 HydrophobicContact CG-CE2 3.6Å; E450-Y514 PolarHBondContact OE1-OH 2.85Å; E450-Y514 VanDerWaalsContact OE1-OH 3.12Å; E450-Y514 WeakPolarHBondContact OE2-CE1 3.33Å; E450-Y514 PolarHBondContact OE2-OH 2.63Å; E450-Y514 VanDerWaalsContact OE2-OH 3.04Å; H454-Y514 PolarHBondContact CD2-O 3.03Å; D510-Y514 VanDerWaalsContact O-CD2 3.24Å; D510-Y514 WeakPolarHBondContact O-CD2 3.18Å; D510-Y514 PolarHBondContact O-N 3.05Å; I512-Y514 VanDerWaalsContact C-N 3.28Å; I512-Y514 PolarHBondContact O-N 3.24Å; Y514-A518 VanDerWaalsContact O-CB 3.3Å; Y514-A518 WeakPolarHBondContact O-CB 3.45Å; Y514-A518 PolarHBondContact O-N 2.95Å; Y514-F942 HydrophobicContact CD2-CZ 4.14Å; Y514-F942 HydrophobicContact CE2-CE1 4.46Å; Y514-F942 HydrophobicContact CE2-CE2 4.11Å; Y514-F942 AromaticContact CE2-CZ 3.46Å; Y514-F942 HydrophobicContact CE2-CZ 3.46Å; Y514-F942 VanDerWaalsContact CE2-CZ 3.46Å; Y514-F942 AromaticContact CZ-CZ 3.81Å
515	K	97.8	Very high	92.6	Very high	14 Å²	14	16.8 Å²	16.8	6%	0.061	7%	0.071	C	C	.	.	I	π-helix	trans	-82	-42.9	-167.6	-63.6	-174.5	174.1	-160.9	0	113.1	D478 V479 E482 V483 W511 G517 A518 A519	D478-K515 WeakPolarHBondContact O-CE 3.24Å; D478-K515 PolarHBondContact O-NZ 3.46Å; V479-K515 HydrophobicContact CG1-CB 3.67Å; V479-K515 HydrophobicContact CG1-CG 4.05Å; V479-K515 VanDerWaalsContact CG1-O 3.31Å; V479-K515 WeakPolarHBondContact CG1-O 3.42Å; E482-K515 IonicContact OE1-NZ 3.77Å; E482-K515 PolarHBondContact OE1-NZ 3.41Å; E482-K515 IonicContact OE2-NZ 3.97Å; E482-K515 PolarHBondContact OE2-NZ 3.21Å; V483-K515 HydrophobicContact CB-CB 3.5Å; V483-K515 VanDerWaalsContact CB-CB 3.5Å; V483-K515 HydrophobicContact CB-CD 4.32Å; V483-K515 HydrophobicContact CG1-CB 3.96Å; V483-K515 HydrophobicContact CG2-CB 3.75Å; W511-K515 HydrophobicContact CD2-CD 4.43Å; W511-K515 HydrophobicContact CE3-CD 3.92Å; W511-K515 VanDerWaalsContact CE3-CE 3.41Å; W511-K515 HydrophobicContact CE3-CG 3.92Å; W511-K515 VanDerWaalsContact O-CB 3.28Å; W511-K515 WeakPolarHBondContact O-CB 3.37Å; W511-K515 PolarHBondContact O-N 3.29Å; K515-G517 VanDerWaalsContact C-N 3.33Å; K515-A518 PolarHBondContact O-N 3.12Å; K515-A519 WeakPolarHBondContact O-CB 3.28Å; K515-A519 PolarHBondContact O-N 3.32Å
516	K	98.2	Very high	93.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-68	-40.3	174.1	-179.3	177.5	-175.6	166.3	0	109.3	V483 D487 I495 I512 A518 A519 L520 G583 Y672	V483-K516 HydrophobicContact CG2-CB 4.03Å; D487-K516 IonicContact OD1-NZ 3.49Å; D487-K516 WeakPolarHBondContact OD2-CD 3.38Å; D487-K516 WeakPolarHBondContact OD2-CE 3.45Å; D487-K516 IonicContact OD2-NZ 2.65Å; D487-K516 PolarHBondContact OD2-NZ 2.95Å; I495-K516 HydrophobicContact CD1-CB 4.4Å; I495-K516 HydrophobicContact CD1-CG 4.45Å; I512-K516 HydrophobicContact CG2-CB 4.07Å; I512-K516 HydrophobicContact CG2-CD 3.88Å; I512-K516 WeakPolarHBondContact O-CA 3.26Å; I512-K516 WeakPolarHBondContact O-CB 3.27Å; I512-K516 PolarHBondContact O-N 3.15Å; K516-A518 PolarHBondContact O-N 2.88Å; K516-A519 PolarHBondContact O-N 3.13Å; K516-L520 HydrophobicContact CG-CD1 4.05Å; K516-L520 HydrophobicContact CG-CG 4.16Å; K516-L520 WeakPolarHBondContact O-CB 3.33Å; K516-L520 VanDerWaalsContact O-CG 3.27Å; K516-L520 WeakPolarHBondContact O-CG 3.49Å; K516-L520 PolarHBondContact O-N 3.28Å; K516-G583 PolarHBondContact NZ-O 3.46Å; K516-Y672 HydrophobicContact CD-CE1 3.88Å; K516-Y672 HydrophobicContact CG-CD1 4.44Å; K516-Y672 HydrophobicContact CG-CE1 3.77Å; K516-Y672 HydrophobicContact CG-CE2 4.36Å
517	G	97.9	Very high	94.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-53.2	-54.6	172.7	0	0	0	0	0	112.1	I512 K515 A519 L520 I521	I512-G517 PolarHBondContact O-N 3.36Å; K515-G517 VanDerWaalsContact C-N 3.33Å; G517-A519 PolarHBondContact O-N 3.24Å; G517-L520 PolarHBondContact O-N 3.28Å; G517-I521 WeakPolarHBondContact O-CD1 3.38Å; G517-I521 VanDerWaalsContact O-CG1 3.23Å; G517-I521 WeakPolarHBondContact O-CG1 3.46Å; G517-I521 PolarHBondContact O-N 3.33Å
518	A	98.6	Very high	94.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.1	-42.2	177.3	0	0	0	0	0	113.1	G451 H454 F455 F475 V479 Y514 K515 K516 I521 R522	G451-A518 WeakPolarHBondContact O-CA 3.47Å; H454-A518 HydrophobicContact CB-CB 4.05Å; F455-A518 HydrophobicContact CB-CB 3.99Å; F475-A518 HydrophobicContact CE2-CB 4.13Å; F475-A518 HydrophobicContact CZ-CB 4.11Å; V479-A518 HydrophobicContact CG1-CB 4.26Å; Y514-A518 VanDerWaalsContact O-CB 3.3Å; Y514-A518 WeakPolarHBondContact O-CB 3.45Å; Y514-A518 PolarHBondContact O-N 2.95Å; K515-A518 PolarHBondContact O-N 3.12Å; K516-A518 PolarHBondContact O-N 2.88Å; A518-I521 PolarHBondContact O-N 2.79Å; A518-R522 WeakPolarHBondContact O-CB 3.29Å; A518-R522 PolarHBondContact O-N 2.9Å
519	A	98.5	Very high	95.4	Very high	2 Å²	2	14.5 Å²	14.5	2%	0.017	7%	0.074	C	C	.	.	H	α-helix	trans	-65.7	-39.1	179.8	0	0	0	0	0	112.5	F475 L480 K515 K516 G517 R522 M523 Y672	F475-A519 HydrophobicContact CE1-CB 4.29Å; F475-A519 HydrophobicContact CZ-CB 4.35Å; L480-A519 HydrophobicContact CD1-CB 4.17Å; K515-A519 WeakPolarHBondContact O-CB 3.28Å; K515-A519 PolarHBondContact O-N 3.32Å; K516-A519 PolarHBondContact O-N 3.13Å; G517-A519 PolarHBondContact O-N 3.24Å; A519-R522 PolarHBondContact O-N 3.08Å; A519-M523 WeakPolarHBondContact O-CB 3.42Å; A519-M523 PolarHBondContact O-N 3.18Å; A519-Y672 HydrophobicContact CB-CD2 3.58Å; A519-Y672 HydrophobicContact CB-CE2 3.98Å
520	L	98.3	Very high	95.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-67.9	-41.5	174.8	-70.2	-177.3	0	0	0	111.8	I495 K516 G517 R522 M523 L524 M575 W578 T579 Y672	I495-L520 HydrophobicContact CG2-CD1 4.39Å; K516-L520 HydrophobicContact CG-CD1 4.05Å; K516-L520 HydrophobicContact CG-CG 4.16Å; K516-L520 WeakPolarHBondContact O-CB 3.33Å; K516-L520 VanDerWaalsContact O-CG 3.27Å; K516-L520 WeakPolarHBondContact O-CG 3.49Å; K516-L520 PolarHBondContact O-N 3.28Å; G517-L520 PolarHBondContact O-N 3.28Å; L520-R522 VanDerWaalsContact C-N 3.34Å; L520-M523 HydrophobicContact CD2-CE 3.84Å; L520-M523 PolarHBondContact O-N 2.94Å; L520-L524 WeakPolarHBondContact O-CB 3.41Å; L520-L524 PolarHBondContact O-N 2.8Å; L520-M575 HydrophobicContact CB-CE 3.93Å; L520-M575 HydrophobicContact CD1-CE 4.43Å; L520-M575 HydrophobicContact CD2-CE 4.42Å; L520-M575 HydrophobicContact CG-CE 4.49Å; L520-W578 HydrophobicContact CD1-CB 3.96Å; L520-W578 HydrophobicContact CD2-CB 3.79Å; L520-W578 HydrophobicContact CD2-CD2 4.02Å; L520-W578 HydrophobicContact CD2-CE3 3.81Å; L520-W578 HydrophobicContact CD2-CG 4.05Å; L520-T579 HydrophobicContact CD1-CG2 4.28Å; L520-Y672 HydrophobicContact CD2-CD1 4.17Å; L520-Y672 HydrophobicContact CD2-CG 4.18Å
521	I	98.3	Very high	96.2	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-42.6	175	-67.9	161.1	0	0	0	110.4	W447 G451 F452 F455 G517 A518 L524 A525 F533	W447-I521 HydrophobicContact CE3-CD1 4.49Å; W447-I521 HydrophobicContact CZ3-CD1 4.3Å; W447-I521 HydrophobicContact CZ3-CG1 4.3Å; G451-I521 WeakPolarHBondContact O-CD1 3.28Å; F452-I521 HydrophobicContact CB-CD1 4.29Å; F452-I521 HydrophobicContact CD1-CD1 4.12Å; F452-I521 HydrophobicContact CD1-CG2 4.37Å; F452-I521 HydrophobicContact CD2-CD1 3.43Å; F452-I521 VanDerWaalsContact CD2-CD1 3.43Å; F452-I521 HydrophobicContact CD2-CG1 4.35Å; F452-I521 HydrophobicContact CE1-CD1 4.28Å; F452-I521 HydrophobicContact CE1-CG2 4.05Å; F452-I521 HydrophobicContact CE2-CD1 3.63Å; F452-I521 HydrophobicContact CE2-CG1 4.07Å; F452-I521 HydrophobicContact CG-CD1 3.7Å; F452-I521 HydrophobicContact CZ-CD1 4.07Å; F452-I521 HydrophobicContact CZ-CG1 4.17Å; F452-I521 HydrophobicContact CZ-CG2 4.4Å; F455-I521 HydrophobicContact CB-CB 4.42Å; F455-I521 HydrophobicContact CB-CG2 4.16Å; F455-I521 HydrophobicContact CD1-CG2 3.51Å; F455-I521 HydrophobicContact CE1-CG2 4.09Å; F455-I521 HydrophobicContact CG-CB 4.47Å; F455-I521 HydrophobicContact CG-CG2 3.92Å; G517-I521 WeakPolarHBondContact O-CD1 3.38Å; G517-I521 VanDerWaalsContact O-CG1 3.23Å; G517-I521 WeakPolarHBondContact O-CG1 3.46Å; G517-I521 PolarHBondContact O-N 3.33Å; A518-I521 PolarHBondContact O-N 2.79Å; I521-L524 PolarHBondContact O-N 2.8Å; I521-A525 WeakPolarHBondContact O-CB 3.44Å; I521-A525 PolarHBondContact O-N 2.92Å; I521-F533 HydrophobicContact CG2-CE2 4.29Å; I521-F533 HydrophobicContact CG2-CZ 3.66Å
522	R	98.1	Very high	96.5	Very high	6 Å²	6	19 Å²	19	2%	0.023	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-45.7	174.4	-179.5	177.4	168	-99.8	-1.3	111.8	F455 E471 F475 A518 A519 L520 L524 A525 N526 N668 Q669	F455-R522 HydrophobicContact CD2-CB 3.77Å; F455-R522 HydrophobicContact CD2-CG 4.4Å; F455-R522 HydrophobicContact CE2-CB 3.61Å; F455-R522 HydrophobicContact CE2-CG 3.85Å; F455-R522 HydrophobicContact CZ-CB 4.48Å; E471-R522 WeakPolarHBondContact OE1-CD 3.3Å; E471-R522 IonicContact OE1-CZ 2.66Å; E471-R522 IonicContact OE1-NE 3.47Å; E471-R522 PolarHBondContact OE1-NE 3.28Å; E471-R522 IonicContact OE1-NH2 3.35Å; F475-R522 VanDerWaalsContact CD1-CD 3.46Å; F475-R522 HydrophobicContact CE1-CB 4.36Å; F475-R522 HydrophobicContact CE1-CG 4.47Å; F475-R522 HydrophobicContact CZ-CB 4.07Å; A518-R522 WeakPolarHBondContact O-CB 3.29Å; A518-R522 PolarHBondContact O-N 2.9Å; A519-R522 PolarHBondContact O-N 3.08Å; L520-R522 VanDerWaalsContact C-N 3.34Å; R522-L524 VanDerWaalsContact C-N 3.32Å; R522-L524 PolarHBondContact O-N 2.6Å; R522-A525 PolarHBondContact O-N 3.32Å; R522-N526 PolarHBondContact O-N 2.93Å; R522-N526 PolarHBondContact O-ND2 2.85Å; R522-N668 PolarHBondContact NH2-O 3.25Å; R522-Q669 PolarHBondContact NH1-O 3.38Å
523	M	97.9	Very high	96.6	Very high	3 Å²	3	19 Å²	19	2%	0.015	11%	0.108	C	C	.	.	H	α-helix	trans	-58.9	-45.8	175.7	-178.4	178	69	0	0	110.7	A519 L520 N526 V527 M574 M575 W578 P626 T670	A519-M523 WeakPolarHBondContact O-CB 3.42Å; A519-M523 PolarHBondContact O-N 3.18Å; L520-M523 HydrophobicContact CD2-CE 3.84Å; L520-M523 PolarHBondContact O-N 2.94Å; M523-N526 PolarHBondContact O-N 2.81Å; M523-V527 WeakPolarHBondContact O-CG2 3.33Å; M523-V527 PolarHBondContact O-N 2.73Å; M523-M574 HydrophobicContact CE-CE 4.11Å; M523-M575 HydrophobicContact CE-SD 4.46Å; M523-W578 HydrophobicContact CE-CD2 3.84Å; M523-W578 HydrophobicContact CE-CE3 4.41Å; M523-W578 HydrophobicContact CE-CG 4.09Å; M523-W578 HydrophobicContact CE-CZ2 4.09Å; M523-W578 HydrophobicContact SD-CZ2 4.3Å; M523-P626 HydrophobicContact CG-CG 4.09Å; M523-P626 HydrophobicContact SD-CG 3.91Å; M523-T670 WeakPolarHBondContact CA-O 3.3Å; M523-T670 WeakPolarHBondContact CB-O 3.3Å
524	L	96.4	Very high	96.8	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-43.8	178.7	-177.5	58.4	0	0	0	112.4	L520 I521 R522 N526 V527 M528 W555 L558 I571 M575	L520-L524 WeakPolarHBondContact O-CB 3.41Å; L520-L524 PolarHBondContact O-N 2.8Å; I521-L524 PolarHBondContact O-N 2.8Å; R522-L524 VanDerWaalsContact C-N 3.32Å; R522-L524 PolarHBondContact O-N 2.6Å; L524-N526 VanDerWaalsContact C-N 3.26Å; L524-N526 PolarHBondContact O-N 2.83Å; L524-V527 PolarHBondContact O-N 3.35Å; L524-M528 HydrophobicContact CD1-CG 3.94Å; L524-M528 HydrophobicContact CD1-SD 3.88Å; L524-M528 HydrophobicContact CG-CG 4.34Å; L524-M528 HydrophobicContact CG-SD 3.89Å; L524-M528 WeakPolarHBondContact O-CB 3.46Å; L524-M528 WeakPolarHBondContact O-CG 3.2Å; L524-M528 PolarHBondContact O-N 3.05Å; L524-W555 HydrophobicContact CD2-CE3 4.48Å; L524-W555 HydrophobicContact CD2-CH2 4.32Å; L524-W555 HydrophobicContact CD2-CZ3 3.64Å; L524-L558 HydrophobicContact CD2-CD1 3.46Å; L524-L558 VanDerWaalsContact CD2-CD1 3.46Å; L524-L558 HydrophobicContact CG-CD1 4.39Å; L524-I571 HydrophobicContact CD1-CD1 3.86Å; L524-I571 HydrophobicContact CD1-CG1 4.48Å; L524-I571 HydrophobicContact CD1-CG2 3.81Å; L524-I571 HydrophobicContact CD2-CG2 4.05Å; L524-M575 HydrophobicContact CD1-CG 4.46Å; L524-M575 HydrophobicContact CD1-SD 4.41Å; L524-M575 HydrophobicContact CD2-CG 4.37Å
525	A	96.7	Very high	96.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-36.2	175.6	0	0	0	0	0	112.1	F455 I521 R522 G529 F533	F455-A525 HydrophobicContact CE1-CB 4.48Å; F455-A525 HydrophobicContact CZ-CB 4.28Å; I521-A525 WeakPolarHBondContact O-CB 3.44Å; I521-A525 PolarHBondContact O-N 2.92Å; R522-A525 PolarHBondContact O-N 3.32Å; A525-G529 CarbonylContact O-C 3.54Å; A525-G529 WeakPolarHBondContact O-CA 3.29Å; A525-G529 PolarHBondContact O-N 3.14Å; A525-F533 HydrophobicContact CB-CD1 3.8Å; A525-F533 HydrophobicContact CB-CD2 4.07Å; A525-F533 HydrophobicContact CB-CE1 3.94Å; A525-F533 HydrophobicContact CB-CE2 4.22Å; A525-F533 HydrophobicContact CB-CG 3.87Å; A525-F533 HydrophobicContact CB-CZ 4.15Å
526	N	94.8	Very high	96.8	Very high	74 Å²	74	23.5 Å²	23.5	40%	0.396	13%	0.129	S	C	.	.	H	α-helix	trans	-69.7	-42.3	173.8	-78.7	-71.2	0	0	0	112.3	R522 M523 L524 T670	R522-N526 PolarHBondContact O-N 2.93Å; R522-N526 PolarHBondContact O-ND2 2.85Å; M523-N526 PolarHBondContact O-N 2.81Å; L524-N526 VanDerWaalsContact C-N 3.26Å; L524-N526 PolarHBondContact O-N 2.83Å; N526-T670 HydrophobicContact CB-CG2 4.42Å
527	V	93.7	Very high	96.8	Very high	16 Å²	16	23.5 Å²	23.5	10%	0.097	13%	0.129	C	C	.	.	H	α-helix	trans	-63.9	-44.4	176.8	167.8	0	0	0	0	111.7	M523 L524 R567 M574 P626 W644	M523-V527 WeakPolarHBondContact O-CG2 3.33Å; M523-V527 PolarHBondContact O-N 2.73Å; L524-V527 PolarHBondContact O-N 3.35Å; V527-R567 PolarHBondContact O-NH1 2.66Å; V527-R567 VanDerWaalsContact O-NH1 3.12Å; V527-R567 PolarHBondContact O-NH2 3.32Å; V527-M574 HydrophobicContact CG2-CE 4.37Å; V527-P626 HydrophobicContact CG2-CB 3.78Å; V527-P626 HydrophobicContact CG2-CG 3.86Å; V527-W644 HydrophobicContact CG1-CH2 3.84Å; V527-W644 HydrophobicContact CG1-CZ2 3.94Å; V527-W644 HydrophobicContact CG2-CH2 4.43Å
528	M	94.8	Very high	96.8	Very high	4 Å²	4	25 Å²	25	2%	0.02	14%	0.136	C	C	.	.	H	α-helix	trans	-75.2	-33.2	-179.2	-66.7	-177.8	75.9	0	0	112.2	L524 L532 F533 L558 A561 M562 R567 I571	L524-M528 HydrophobicContact CD1-CG 3.94Å; L524-M528 HydrophobicContact CD1-SD 3.88Å; L524-M528 HydrophobicContact CG-CG 4.34Å; L524-M528 HydrophobicContact CG-SD 3.89Å; L524-M528 WeakPolarHBondContact O-CB 3.46Å; L524-M528 WeakPolarHBondContact O-CG 3.2Å; L524-M528 PolarHBondContact O-N 3.05Å; M528-L532 HydrophobicContact CB-CB 4.46Å; M528-L532 HydrophobicContact CE-CB 4.48Å; M528-F533 HydrophobicContact CB-CB 4.31Å; M528-F533 HydrophobicContact SD-CD2 3.96Å; M528-L558 HydrophobicContact CE-CB 3.83Å; M528-L558 HydrophobicContact CE-CD2 4.02Å; M528-L558 HydrophobicContact CE-CG 4.41Å; M528-L558 WeakPolarHBondContact CE-O 3.19Å; M528-L558 HydrophobicContact SD-CB 4.09Å; M528-L558 HydrophobicContact SD-CD1 4.23Å; M528-L558 HydrophobicContact SD-CD2 4.23Å; M528-L558 HydrophobicContact SD-CG 4.41Å; M528-A561 HydrophobicContact CE-CB 4.35Å; M528-M562 HydrophobicContact CB-SD 4.06Å; M528-M562 HydrophobicContact CE-CG 3.82Å; M528-M562 HydrophobicContact CE-SD 4.21Å; M528-M562 HydrophobicContact CG-CG 4.32Å; M528-M562 HydrophobicContact CG-SD 3.82Å; M528-R567 PolarHBondContact O-NH1 3.4Å; M528-I571 HydrophobicContact CG-CD1 4.46Å
529	G	94.6	Very high	96.8	Very high	26 Å²	26	27.6 Å²	27.6	27%	0.268	15%	0.15	S	C	.	.			trans	79.6	146.7	-165	0	0	0	0	0	111.5	A525 L532 F533	A525-G529 CarbonylContact O-C 3.54Å; A525-G529 WeakPolarHBondContact O-CA 3.29Å; A525-G529 PolarHBondContact O-N 3.14Å; G529-L532 PolarHBondContact O-N 2.84Å; G529-F533 WeakPolarHBondContact O-CB 3.03Å; G529-F533 PolarHBondContact O-N 3.28Å
530	Q	94.4	Very high	96.7	Very high	89 Å²	89	27.7 Å²	27.7	42%	0.416	15%	0.15	S	C	.	.	H	α-helix	trans	-54.6	-44.5	-171	-66.9	-65.1	-37.2	0	0	114.8	Y370 L532 F533 Q534	Y370-Q530 PolarHBondContact OH-OE1 3.16Å; Q530-L532 PolarHBondContact O-N 2.86Å; Q530-F533 PolarHBondContact O-N 3.31Å; Q530-Q534 WeakPolarHBondContact O-CB 3.25Å; Q530-Q534 PolarHBondContact O-N 2.82Å
531	P	95.6	Very high	96.8	Very high	101 Å²	101	27.6 Å²	27.6	66%	0.656	15%	0.15	S	C	*	.	H	α-helix	trans	-63.2	-41.8	-177.6	-23.5	35	0	0	0	113.6	K535	P531-K535 WeakPolarHBondContact O-CB 3.45Å; P531-K535 PolarHBondContact O-N 3.25Å
532	L	96.3	Very high	96.7	Very high	20 Å²	20	31.5 Å²	31.5	11%	0.105	17%	0.17	C	C	.	.	H	α-helix	trans	-72.6	-39.3	179.6	-77.3	179.9	0	0	0	112	M528 G529 Q530 K535 G536 A561 M562 E565	M528-L532 HydrophobicContact CB-CB 4.46Å; M528-L532 HydrophobicContact CE-CB 4.48Å; G529-L532 PolarHBondContact O-N 2.84Å; Q530-L532 PolarHBondContact O-N 2.86Å; L532-K535 PolarHBondContact O-N 2.67Å; L532-G536 PolarHBondContact O-N 2.8Å; L532-A561 VanDerWaalsContact CD2-O 3.3Å; L532-A561 WeakPolarHBondContact CD2-O 3.49Å; L532-M562 HydrophobicContact CD1-SD 3.88Å; L532-E565 HydrophobicContact CD1-CB 4.28Å; L532-E565 HydrophobicContact CD1-CG 4.21Å; L532-E565 HydrophobicContact CD2-CB 4.32Å; L532-E565 HydrophobicContact CD2-CG 3.51Å; L532-E565 HydrophobicContact CG-CG 4.25Å
533	F	97.6	Very high	96.7	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-50.8	174.8	-176.4	-110.8	0	0	0	110.9	F452 F455 F456 I521 A525 M528 G529 Q530 K535 G536 L537	F452-F533 HydrophobicContact CE1-CZ 4.16Å; F455-F533 HydrophobicContact CE1-CE1 4.07Å; F455-F533 HydrophobicContact CE1-CZ 4.48Å; F456-F533 HydrophobicContact CE2-CE1 4.48Å; F456-F533 HydrophobicContact CZ-CE1 4.07Å; I521-F533 HydrophobicContact CG2-CE2 4.29Å; I521-F533 HydrophobicContact CG2-CZ 3.66Å; A525-F533 HydrophobicContact CB-CD1 3.8Å; A525-F533 HydrophobicContact CB-CD2 4.07Å; A525-F533 HydrophobicContact CB-CE1 3.94Å; A525-F533 HydrophobicContact CB-CE2 4.22Å; A525-F533 HydrophobicContact CB-CG 3.87Å; A525-F533 HydrophobicContact CB-CZ 4.15Å; M528-F533 HydrophobicContact CB-CB 4.31Å; M528-F533 HydrophobicContact SD-CD2 3.96Å; G529-F533 WeakPolarHBondContact O-CB 3.03Å; G529-F533 PolarHBondContact O-N 3.28Å; Q530-F533 PolarHBondContact O-N 3.31Å; F533-K535 PolarHBondContact O-N 3.08Å; F533-G536 PolarHBondContact O-N 3.4Å; F533-L537 HydrophobicContact CD1-CD1 4.02Å; F533-L537 HydrophobicContact CE1-CD1 3.47Å; F533-L537 VanDerWaalsContact CE1-CD1 3.47Å; F533-L537 HydrophobicContact CE1-CG 4.24Å; F533-L537 HydrophobicContact CE2-CD1 4.35Å; F533-L537 HydrophobicContact CE2-CD2 4.29Å; F533-L537 HydrophobicContact CE2-CG 4.35Å; F533-L537 HydrophobicContact CZ-CD1 3.65Å; F533-L537 HydrophobicContact CZ-CD2 4.24Å; F533-L537 HydrophobicContact CZ-CG 4.13Å; F533-L537 WeakPolarHBondContact O-CG 3.41Å; F533-L537 PolarHBondContact O-N 3.09Å
534	Q	97.4	Very high	96.7	Very high	56 Å²	56	35.5 Å²	35.5	26%	0.262	20%	0.196	S	C	.	.	H	α-helix	trans	-59	-44.5	177.7	-173.1	-176.5	18.7	0	0	112.4	Y370 Q530 L537 N538	Y370-Q534 HydrophobicContact CD1-CG 4.47Å; Y370-Q534 HydrophobicContact CE1-CG 4.25Å; Y370-Q534 VanDerWaalsContact O-CG 3.26Å; Y370-Q534 WeakPolarHBondContact O-CG 3.42Å; Y370-Q534 PolarHBondContact O-NE2 3.28Å; Q530-Q534 WeakPolarHBondContact O-CB 3.25Å; Q530-Q534 PolarHBondContact O-N 2.82Å; Q534-L537 PolarHBondContact O-N 3.3Å; Q534-N538 PolarHBondContact O-N 3.08Å
535	K	96.6	Very high	96.8	Very high	87 Å²	87	38.7 Å²	38.7	38%	0.378	21%	0.212	S	C	.	.	H	α-helix	trans	-59.2	-49.2	175.8	-178.9	-177.3	177.7	-175.1	0	111.5	P531 L532 F533 L537 N538 D539 S564	P531-K535 WeakPolarHBondContact O-CB 3.45Å; P531-K535 PolarHBondContact O-N 3.25Å; L532-K535 PolarHBondContact O-N 2.67Å; F533-K535 PolarHBondContact O-N 3.08Å; K535-L537 VanDerWaalsContact C-N 3.33Å; K535-L537 PolarHBondContact O-N 2.98Å; K535-N538 PolarHBondContact O-N 3.38Å; K535-D539 PolarHBondContact O-N 3.16Å; K535-S564 PolarHBondContact NZ-OG 3.04Å
536	G	97.6	Very high	96.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-37.7	179.5	0	0	0	0	0	113.3	L532 F533 Y540	L532-G536 PolarHBondContact O-N 2.8Å; F533-G536 PolarHBondContact O-N 3.4Å; G536-Y540 WeakPolarHBondContact O-CB 3.44Å; G536-Y540 PolarHBondContact O-N 2.67Å
537	L	98.1	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-40.8	173.5	-66.1	-173.3	0	0	0	112.7	F371 F434 F452 F456 F533 Q534 K535 Y540 L541 L554 L558	F371-L537 HydrophobicContact CE1-CD1 4.38Å; F434-L537 HydrophobicContact CE1-CD2 4.3Å; F434-L537 HydrophobicContact CZ-CB 4.4Å; F434-L537 HydrophobicContact CZ-CD1 4.09Å; F434-L537 HydrophobicContact CZ-CD2 4.07Å; F434-L537 HydrophobicContact CZ-CG 4.41Å; F452-L537 HydrophobicContact CE1-CD1 4.1Å; F452-L537 HydrophobicContact CE1-CD2 3.5Å; F452-L537 HydrophobicContact CE1-CG 4.46Å; F452-L537 HydrophobicContact CZ-CD2 3.82Å; F456-L537 HydrophobicContact CE2-CD1 3.88Å; F456-L537 HydrophobicContact CZ-CD1 3.76Å; F533-L537 HydrophobicContact CD1-CD1 4.02Å; F533-L537 HydrophobicContact CE1-CD1 3.47Å; F533-L537 VanDerWaalsContact CE1-CD1 3.47Å; F533-L537 HydrophobicContact CE1-CG 4.24Å; F533-L537 HydrophobicContact CE2-CD1 4.35Å; F533-L537 HydrophobicContact CE2-CD2 4.29Å; F533-L537 HydrophobicContact CE2-CG 4.35Å; F533-L537 HydrophobicContact CZ-CD1 3.65Å; F533-L537 HydrophobicContact CZ-CD2 4.24Å; F533-L537 HydrophobicContact CZ-CG 4.13Å; F533-L537 WeakPolarHBondContact O-CG 3.41Å; F533-L537 PolarHBondContact O-N 3.09Å; Q534-L537 PolarHBondContact O-N 3.3Å; K535-L537 VanDerWaalsContact C-N 3.33Å; K535-L537 PolarHBondContact O-N 2.98Å; L537-Y540 PolarHBondContact O-N 2.91Å; L537-L541 WeakPolarHBondContact O-CG 3.36Å; L537-L541 PolarHBondContact O-N 2.83Å; L537-L554 HydrophobicContact CD2-CD1 4.09Å; L537-L558 HydrophobicContact CD2-CD2 4.32Å
538	N	98.2	Very high	97.1	Very high	30 Å²	30	40.7 Å²	40.7	16%	0.16	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-47.8	175.1	176.6	-114.1	0	0	0	111.3	F371 K372 Q534 K535 Y540 L541 L542	F371-N538 PolarHBondContact O-ND2 3.23Å; K372-N538 WeakPolarHBondContact CB-ND2 3.3Å; K372-N538 PolarHBondContact O-ND2 3.4Å; Q534-N538 PolarHBondContact O-N 3.08Å; K535-N538 PolarHBondContact O-N 3.38Å; N538-Y540 VanDerWaalsContact C-N 3.29Å; N538-Y540 PolarHBondContact O-N 2.8Å; N538-L541 PolarHBondContact O-N 2.7Å; N538-L542 WeakPolarHBondContact O-CB 3.15Å; N538-L542 WeakPolarHBondContact O-CG 3.28Å; N538-L542 PolarHBondContact O-N 2.89Å; N538-L542 WeakPolarHBondContact OD1-CD1 3.38Å
539	D	98.1	Very high	97.2	Very high	55 Å²	55	40.5 Å²	40.5	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-38.9	177.9	-71.6	-25.7	0	0	0	111.8	K535 S543 K557	K535-D539 PolarHBondContact O-N 3.16Å; D539-S543 VanDerWaalsContact O-CB 3.22Å; D539-S543 WeakPolarHBondContact O-CB 3.48Å; D539-S543 PolarHBondContact O-N 2.8Å; D539-S543 PolarHBondContact O-OG 3.16Å; D539-K557 HydrophobicContact CB-CD 4.23Å
540	Y	98.4	Very high	97.2	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-53.4	173.5	170.9	-100.9	0	0	0	112	F434 V438 G536 L537 N538 L542 S543 H544 A549 D553 L554	F434-Y540 HydrophobicContact CE1-CD1 4.28Å; F434-Y540 HydrophobicContact CE1-CE1 4.11Å; V438-Y540 HydrophobicContact CB-CE1 4.34Å; V438-Y540 HydrophobicContact CG1-CE1 3.87Å; V438-Y540 WeakPolarHBondContact CG1-OH 3.37Å; G536-Y540 WeakPolarHBondContact O-CB 3.44Å; G536-Y540 PolarHBondContact O-N 2.67Å; L537-Y540 PolarHBondContact O-N 2.91Å; N538-Y540 VanDerWaalsContact C-N 3.29Å; N538-Y540 PolarHBondContact O-N 2.8Å; Y540-L542 PolarHBondContact O-N 2.9Å; Y540-S543 PolarHBondContact O-N 2.93Å; Y540-H544 AromaticContact CD2-CD2 3.92Å; Y540-H544 PolarHBondContact O-CD2 2.91Å; Y540-H544 VanDerWaalsContact O-CD2 3.28Å; Y540-H544 PolarHBondContact O-N 3.43Å; Y540-H544 VanDerWaalsContact O-N 3.12Å; Y540-A549 HydrophobicContact CE2-CB 3.61Å; Y540-A549 WeakPolarHBondContact OH-CB 3.43Å; Y540-D553 HydrophobicContact CE2-CB 4.42Å; Y540-L554 HydrophobicContact CD1-CD1 4.31Å; Y540-L554 HydrophobicContact CD2-CB 4.15Å; Y540-L554 HydrophobicContact CD2-CD1 4.08Å; Y540-L554 HydrophobicContact CE2-CB 3.96Å; Y540-L554 HydrophobicContact CE2-CD1 4.38Å; Y540-L554 HydrophobicContact CG-CD1 4.03Å
541	L	98.4	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-44.7	-178.5	-70.1	170.8	0	0	0	111.9	F371 V373 W433 F434 V438 L537 N538 S543 H544 M545	F371-L541 HydrophobicContact CB-CD1 3.76Å; F371-L541 HydrophobicContact CD1-CD1 4.13Å; F371-L541 HydrophobicContact CG-CD1 3.92Å; V373-L541 HydrophobicContact CG2-CB 4.06Å; V373-L541 HydrophobicContact CG2-CD1 4.48Å; W433-L541 HydrophobicContact CB-CD1 4.36Å; W433-L541 HydrophobicContact CB-CD2 4.3Å; F434-L541 HydrophobicContact CE1-CD2 4.35Å; F434-L541 HydrophobicContact CE2-CD1 4.04Å; F434-L541 HydrophobicContact CE2-CD2 4.36Å; F434-L541 HydrophobicContact CZ-CD1 4.1Å; F434-L541 HydrophobicContact CZ-CD2 4.19Å; F434-L541 HydrophobicContact CZ-CG 4.26Å; V438-L541 HydrophobicContact CB-CD2 4.32Å; V438-L541 HydrophobicContact CG2-CD2 3.8Å; L537-L541 WeakPolarHBondContact O-CG 3.36Å; L537-L541 PolarHBondContact O-N 2.83Å; N538-L541 PolarHBondContact O-N 2.7Å; L541-S543 VanDerWaalsContact C-N 3.34Å; L541-S543 PolarHBondContact O-N 2.66Å; L541-H544 PolarHBondContact O-N 3.02Å; L541-M545 WeakPolarHBondContact O-CA 3.11Å; L541-M545 WeakPolarHBondContact O-CB 3.49Å; L541-M545 PolarHBondContact O-N 3.28Å
542	L	98.1	Very high	97.2	Very high	85 Å²	85	37.3 Å²	37.3	45%	0.445	20%	0.196	S	C	.	.	H	α-helix	trans	-65.4	-36	178.1	-71.4	176.2	0	0	0	112.8	V373 N538 Y540 H544 M545	V373-L542 HydrophobicContact CG2-CD2 3.96Å; V373-L542 HydrophobicContact CG2-CG 4.17Å; N538-L542 WeakPolarHBondContact O-CB 3.15Å; N538-L542 WeakPolarHBondContact O-CG 3.28Å; N538-L542 PolarHBondContact O-N 2.89Å; N538-L542 WeakPolarHBondContact OD1-CD1 3.38Å; Y540-L542 PolarHBondContact O-N 2.9Å; L542-H544 VanDerWaalsContact C-N 3.35Å; L542-M545 HydrophobicContact CD2-SD 4.47Å
543	S	98	Very high	97.3	Very high	65 Å²	65	39.1 Å²	39.1	46%	0.455	21%	0.206	S	C	.	.	H	α-helix	trans	-72.3	-29.3	-179.4	-59.9	0	0	0	0	112.8	D539 Y540 L541 K557	D539-S543 VanDerWaalsContact O-CB 3.22Å; D539-S543 WeakPolarHBondContact O-CB 3.48Å; D539-S543 PolarHBondContact O-N 2.8Å; D539-S543 PolarHBondContact O-OG 3.16Å; Y540-S543 PolarHBondContact O-N 2.93Å; L541-S543 VanDerWaalsContact C-N 3.34Å; L541-S543 PolarHBondContact O-N 2.66Å; S543-K557 WeakPolarHBondContact OG-CE 3.09Å; S543-K557 PolarHBondContact OG-NZ 3.34Å
544	H	97.8	Very high	97.3	Very high	28 Å²	28	39.1 Å²	39.1	13%	0.13	21%	0.206	C	C	.	.	H	α-helix	trans	-117.3	4.5	-171.2	-63.1	-88.4	0	0	0	114.5	V438 Y540 L541 L542 Y546 S547 A549 D553	V438-H544 HydrophobicContact CG1-CB 3.7Å; V438-H544 HydrophobicContact CG2-CB 4Å; Y540-H544 AromaticContact CD2-CD2 3.92Å; Y540-H544 PolarHBondContact O-CD2 2.91Å; Y540-H544 VanDerWaalsContact O-CD2 3.28Å; Y540-H544 PolarHBondContact O-N 3.43Å; Y540-H544 VanDerWaalsContact O-N 3.12Å; L541-H544 PolarHBondContact O-N 3.02Å; L542-H544 VanDerWaalsContact C-N 3.35Å; H544-Y546 PolarHBondContact O-N 3.45Å; H544-S547 WeakPolarHBondContact O-CA 3.32Å; H544-S547 VanDerWaalsContact O-CB 3.24Å; H544-S547 WeakPolarHBondContact O-CB 3.44Å; H544-S547 PolarHBondContact O-N 2.66Å; H544-A549 HydrophobicContact CB-CB 4.14Å; H544-D553 VanDerWaalsContact CE1-CG 3.49Å; H544-D553 IonicContact CE1-OD1 2.68Å; H544-D553 IonicContact CE1-OD2 2.86Å
545	M	96.8	Very high	97.3	Very high	70 Å²	70	36.8 Å²	36.8	35%	0.345	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	135.1	-178.7	65	-171.1	-56.5	0	0	113	L437 L541 L542 S547	L437-M545 HydrophobicContact CD1-CB 3.86Å; L437-M545 HydrophobicContact CD2-CB 4.24Å; L437-M545 HydrophobicContact CG-CB 3.96Å; L541-M545 WeakPolarHBondContact O-CA 3.11Å; L541-M545 WeakPolarHBondContact O-CB 3.49Å; L541-M545 PolarHBondContact O-N 3.28Å; L542-M545 HydrophobicContact CD2-SD 4.47Å; M545-S547 PolarHBondContact O-N 3.46Å
546	Y	97.3	Very high	97.3	Very high	76 Å²	76	35.4 Å²	35.4	30%	0.298	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	17.1	-174.3	-47.6	-66.7	0	0	0	115	P312 S376 W396 L437 H544	P312-Y546 HydrophobicContact CB-CD1 4.01Å; P312-Y546 HydrophobicContact CB-CE1 3.89Å; P312-Y546 HydrophobicContact CG-CE1 4.48Å; S376-Y546 WeakPolarHBondContact CB-OH 3.46Å; S376-Y546 PolarHBondContact OG-OH 3.03Å; W396-Y546 AromaticContact CH2-CD1 3.72Å; W396-Y546 HydrophobicContact CH2-CD1 3.72Å; W396-Y546 AromaticContact CH2-CE1 3.76Å; W396-Y546 HydrophobicContact CH2-CE1 3.76Å; W396-Y546 HydrophobicContact CZ2-CE1 4.27Å; W396-Y546 HydrophobicContact CZ3-CD1 4.44Å; L437-Y546 HydrophobicContact CD1-CD1 3.83Å; L437-Y546 HydrophobicContact CD1-CE1 3.63Å; L437-Y546 HydrophobicContact CD1-CE2 4.46Å; L437-Y546 HydrophobicContact CD1-CG 4.3Å; L437-Y546 WeakPolarHBondContact O-CA 3.43Å; L437-Y546 PolarHBondContact O-N 3.35Å; H544-Y546 PolarHBondContact O-N 3.45Å
547	S	96.8	Very high	97.3	Very high	42 Å²	42	37.3 Å²	37.3	29%	0.294	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-168.2	179.1	-157.2	0	0	0	0	110.7	K272 T439 H544 M545	K272-S547 VanDerWaalsContact CE-O 3.28Å; K272-S547 WeakPolarHBondContact CE-O 3.31Å; K272-S547 PolarHBondContact NZ-O 3.35Å; T439-S547 PolarHBondContact N-O 2.76Å; H544-S547 WeakPolarHBondContact O-CA 3.32Å; H544-S547 VanDerWaalsContact O-CB 3.24Å; H544-S547 WeakPolarHBondContact O-CB 3.44Å; H544-S547 PolarHBondContact O-N 2.66Å; M545-S547 PolarHBondContact O-N 3.46Å
548	N	97.4	Very high	97.3	Very high	16 Å²	16	37.3 Å²	37.3	9%	0.086	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	157.1	173.3	-55.8	82.3	0	0	0	110.3	P269 V270 T439 P440 V441	P269-N548 PolarHBondContact O-ND2 3.49Å; V270-N548 PolarHBondContact O-OD1 3.27Å; T439-N548 CarbonylContact O-C 3.55Å; T439-N548 WeakPolarHBondContact O-CA 3.25Å; T439-N548 WeakPolarHBondContact O-CB 3.39Å; P440-N548 PolarHBondContact O-ND2 3.26Å; P440-N548 VanDerWaalsContact O-ND2 3.08Å; V441-N548 HydrophobicContact CG2-CB 3.81Å
549	A	96.7	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146.5	173.6	0	0	0	0	0	110.5	V438 T439 P440 V441 Y540 H544 D553	V438-A549 HydrophobicContact CG1-CB 3.75Å; T439-A549 PolarHBondContact O-N 3.45Å; P440-A549 WeakPolarHBondContact CA-O 3.34Å; V441-A549 PolarHBondContact N-O 2.97Å; V441-A549 VanDerWaalsContact N-O 3.14Å; Y540-A549 HydrophobicContact CE2-CB 3.61Å; Y540-A549 WeakPolarHBondContact OH-CB 3.43Å; H544-A549 HydrophobicContact CB-CB 4.14Å; A549-D553 WeakPolarHBondContact CA-OD2 3.33Å; A549-D553 HydrophobicContact CB-CB 4.15Å
550	A	95.4	Very high	97.1	Very high	30 Å²	30	37.9 Å²	37.9	25%	0.248	21%	0.205	C	C	.	.			trans	-99.3	170.8	172.3	0	0	0	0	0	110.4	V441 D552 D553	V441-A550 HydrophobicContact CG2-CB 4.28Å; A550-D552 VanDerWaalsContact C-N 3.27Å; A550-D552 PolarHBondContact O-N 3.08Å; A550-D553 PolarHBondContact N-OD2 3.49Å; A550-D553 WeakPolarHBondContact O-CB 3.49Å; A550-D553 PolarHBondContact O-N 3.26Å; A550-D553 VanDerWaalsContact O-N 3.1Å
551	R	94.7	Very high	97	Very high	18 Å²	18	37.7 Å²	37.7	7%	0.068	20%	0.204	C	C	.	.	H	α-helix	trans	-51.5	-43.4	176.5	170.3	-175.2	84.3	101.6	26.6	113.7	D445 W447 D553 L554 W555 D576 T579	D445-R551 VanDerWaalsContact OD2-CB 3.23Å; D445-R551 WeakPolarHBondContact OD2-CB 3.43Å; D445-R551 PolarHBondContact OD2-N 3.46Å; W447-R551 HydrophobicContact CZ2-CB 4.32Å; W447-R551 HydrophobicContact CZ2-CG 3.93Å; R551-D553 VanDerWaalsContact C-N 3.26Å; R551-D553 PolarHBondContact O-N 2.86Å; R551-L554 WeakPolarHBondContact O-CB 3.07Å; R551-L554 PolarHBondContact O-N 2.93Å; R551-L554 VanDerWaalsContact O-N 3.16Å; R551-W555 HydrophobicContact CG-CD2 4.47Å; R551-W555 HydrophobicContact CG-CZ2 4.06Å; R551-W555 PolarHBondContact O-N 3.29Å; R551-W555 VanDerWaalsContact O-N 3.1Å; R551-D576 IonicContact CZ-OD1 3.46Å; R551-D576 IonicContact NH1-OD1 3.31Å; R551-D576 PolarHBondContact NH1-OD1 3.44Å; R551-D576 IonicContact NH2-OD1 2.76Å; R551-D576 PolarHBondContact NH2-OD1 3.1Å; R551-D576 IonicContact NH2-OD2 3.71Å; R551-T579 PolarHBondContact NH1-OG1 2.99Å
552	D	96.1	Very high	96.8	Very high	100 Å²	100	37.7 Å²	37.7	54%	0.535	20%	0.204	S	C	.	.	H	α-helix	trans	-67.4	-27.3	-177.6	-66.3	-7.4	0	0	0	112.6	A550 W555 S556	A550-D552 VanDerWaalsContact C-N 3.27Å; A550-D552 PolarHBondContact O-N 3.08Å; D552-W555 PolarHBondContact O-N 2.92Å; D552-S556 VanDerWaalsContact O-CB 3.28Å; D552-S556 WeakPolarHBondContact O-CB 3.42Å; D552-S556 PolarHBondContact O-N 2.73Å
553	D	97.4	Very high	96.7	Very high	59 Å²	59	39.7 Å²	39.7	32%	0.316	21%	0.206	S	C	.	.	H	α-helix	trans	-64.4	-42.4	173.8	-66.5	-51.3	0	0	0	110.8	Y540 H544 A549 A550 R551 K557	Y540-D553 HydrophobicContact CE2-CB 4.42Å; H544-D553 VanDerWaalsContact CE1-CG 3.49Å; H544-D553 IonicContact CE1-OD1 2.68Å; H544-D553 IonicContact CE1-OD2 2.86Å; A549-D553 WeakPolarHBondContact CA-OD2 3.33Å; A549-D553 HydrophobicContact CB-CB 4.15Å; A550-D553 PolarHBondContact N-OD2 3.49Å; A550-D553 WeakPolarHBondContact O-CB 3.49Å; A550-D553 PolarHBondContact O-N 3.26Å; A550-D553 VanDerWaalsContact O-N 3.1Å; R551-D553 VanDerWaalsContact C-N 3.26Å; R551-D553 PolarHBondContact O-N 2.86Å; D553-K557 WeakPolarHBondContact O-CG 3.24Å; D553-K557 PolarHBondContact O-N 2.59Å
554	L	97.4	Very high	96.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-51	174.7	177.1	66.7	0	0	0	110.9	W447 L448 F452 L537 Y540 R551 S556 K557 L558	W447-L554 HydrophobicContact CH2-CD2 4.25Å; L448-L554 HydrophobicContact CD2-CB 4.49Å; L448-L554 HydrophobicContact CD2-CD2 3.68Å; F452-L554 HydrophobicContact CE2-CD2 3.6Å; F452-L554 HydrophobicContact CZ-CD1 4.18Å; F452-L554 HydrophobicContact CZ-CD2 3.75Å; L537-L554 HydrophobicContact CD2-CD1 4.09Å; Y540-L554 HydrophobicContact CD1-CD1 4.31Å; Y540-L554 HydrophobicContact CD2-CB 4.15Å; Y540-L554 HydrophobicContact CD2-CD1 4.08Å; Y540-L554 HydrophobicContact CE2-CB 3.96Å; Y540-L554 HydrophobicContact CE2-CD1 4.38Å; Y540-L554 HydrophobicContact CG-CD1 4.03Å; R551-L554 WeakPolarHBondContact O-CB 3.07Å; R551-L554 PolarHBondContact O-N 2.93Å; R551-L554 VanDerWaalsContact O-N 3.16Å; L554-S556 VanDerWaalsContact C-N 3.27Å; L554-S556 PolarHBondContact O-N 3.49Å; L554-K557 PolarHBondContact O-N 3.41Å; L554-K557 VanDerWaalsContact O-N 3.1Å; L554-L558 HydrophobicContact CD1-CD1 4.03Å; L554-L558 HydrophobicContact CD1-CD2 4.43Å; L554-L558 HydrophobicContact CD1-CG 4.07Å; L554-L558 HydrophobicContact CG-CD1 4.01Å; L554-L558 HydrophobicContact CG-CG 4.32Å; L554-L558 WeakPolarHBondContact O-CG 3.46Å; L554-L558 PolarHBondContact O-N 3.21Å
555	W	97	Very high	96.1	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-58.1	-39.8	179.9	-61.6	159.6	0	0	0	113	W447 L524 R551 D552 K557 L558 T559 I571 M575 T579	W447-W555 AromaticContact CH2-CH2 3.43Å; W447-W555 HydrophobicContact CH2-CH2 3.43Å; W447-W555 VanDerWaalsContact CH2-CH2 3.43Å; W447-W555 AromaticContact CH2-CZ2 3.56Å; W447-W555 HydrophobicContact CH2-CZ2 3.56Å; W447-W555 HydrophobicContact CH2-CZ3 4.37Å; W447-W555 HydrophobicContact CZ2-CH2 4.28Å; W447-W555 AromaticContact CZ2-CZ2 3.94Å; W447-W555 HydrophobicContact CZ2-CZ2 3.94Å; W447-W555 HydrophobicContact CZ3-CH2 4.25Å; L524-W555 HydrophobicContact CD2-CE3 4.48Å; L524-W555 HydrophobicContact CD2-CH2 4.32Å; L524-W555 HydrophobicContact CD2-CZ3 3.64Å; R551-W555 HydrophobicContact CG-CD2 4.47Å; R551-W555 HydrophobicContact CG-CZ2 4.06Å; R551-W555 PolarHBondContact O-N 3.29Å; R551-W555 VanDerWaalsContact O-N 3.1Å; D552-W555 PolarHBondContact O-N 2.92Å; W555-K557 VanDerWaalsContact C-N 3.35Å; W555-K557 PolarHBondContact O-N 3.1Å; W555-L558 HydrophobicContact CE3-CD1 4.04Å; W555-L558 HydrophobicContact CZ3-CD1 4Å; W555-L558 PolarHBondContact O-N 3.25Å; W555-T559 VanDerWaalsContact O-CB 3.26Å; W555-T559 WeakPolarHBondContact O-CB 3.33Å; W555-T559 PolarHBondContact O-N 3.41Å; W555-T559 PolarHBondContact O-OG1 2.88Å; W555-I571 HydrophobicContact CD2-CG2 4.33Å; W555-I571 HydrophobicContact CE3-CG2 3.76Å; W555-I571 HydrophobicContact CZ3-CG2 4.22Å; W555-M575 HydrophobicContact CD2-CB 4.24Å; W555-M575 HydrophobicContact CH2-CB 3.8Å; W555-M575 HydrophobicContact CH2-CE 4.13Å; W555-M575 HydrophobicContact CH2-CG 3.89Å; W555-M575 HydrophobicContact CZ2-CB 3.43Å; W555-M575 VanDerWaalsContact CZ2-CB 3.43Å; W555-M575 HydrophobicContact CZ2-CG 4.07Å; W555-M575 HydrophobicContact CZ3-CB 4.35Å; W555-M575 HydrophobicContact CZ3-CG 4.13Å; W555-T579 HydrophobicContact CZ2-CG2 3.96Å
556	S	97.4	Very high	95.7	Very high	57 Å²	57	44.4 Å²	44.4	40%	0.399	25%	0.246	S	C	.	.	H	α-helix	trans	-59	-45.3	175.8	-176	0	0	0	0	111.7	D552 L554 Q560	D552-S556 VanDerWaalsContact O-CB 3.28Å; D552-S556 WeakPolarHBondContact O-CB 3.42Å; D552-S556 PolarHBondContact O-N 2.73Å; L554-S556 VanDerWaalsContact C-N 3.27Å; L554-S556 PolarHBondContact O-N 3.49Å; S556-Q560 WeakPolarHBondContact O-CB 3.39Å; S556-Q560 WeakPolarHBondContact O-CG 3.43Å; S556-Q560 PolarHBondContact O-N 3.17Å; S556-Q560 PolarHBondContact O-NE2 3.33Å; S556-Q560 PolarHBondContact OG-NE2 2.91Å
557	K	97.7	Very high	95.3	Very high	40 Å²	40	44.7 Å²	44.7	17%	0.174	25%	0.246	C	C	.	.	H	α-helix	trans	-70	-41.9	-179.9	-62.2	-68.3	172.3	174.2	0	112.6	D539 S543 D553 L554 W555 Q560 A561	D539-K557 HydrophobicContact CB-CD 4.23Å; S543-K557 WeakPolarHBondContact OG-CE 3.09Å; S543-K557 PolarHBondContact OG-NZ 3.34Å; D553-K557 WeakPolarHBondContact O-CG 3.24Å; D553-K557 PolarHBondContact O-N 2.59Å; L554-K557 PolarHBondContact O-N 3.41Å; L554-K557 VanDerWaalsContact O-N 3.1Å; W555-K557 VanDerWaalsContact C-N 3.35Å; W555-K557 PolarHBondContact O-N 3.1Å; K557-Q560 PolarHBondContact O-N 3.15Å; K557-A561 PolarHBondContact O-N 3.13Å
558	L	97.6	Very high	94.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.6	-38.6	177.1	-61.1	-173.8	0	0	0	112	L524 M528 L537 L554 W555 A561 M562 I571	L524-L558 HydrophobicContact CD2-CD1 3.46Å; L524-L558 VanDerWaalsContact CD2-CD1 3.46Å; L524-L558 HydrophobicContact CG-CD1 4.39Å; M528-L558 HydrophobicContact CE-CB 3.83Å; M528-L558 HydrophobicContact CE-CD2 4.02Å; M528-L558 HydrophobicContact CE-CG 4.41Å; M528-L558 WeakPolarHBondContact CE-O 3.19Å; M528-L558 HydrophobicContact SD-CB 4.09Å; M528-L558 HydrophobicContact SD-CD1 4.23Å; M528-L558 HydrophobicContact SD-CD2 4.23Å; M528-L558 HydrophobicContact SD-CG 4.41Å; L537-L558 HydrophobicContact CD2-CD2 4.32Å; L554-L558 HydrophobicContact CD1-CD1 4.03Å; L554-L558 HydrophobicContact CD1-CD2 4.43Å; L554-L558 HydrophobicContact CD1-CG 4.07Å; L554-L558 HydrophobicContact CG-CD1 4.01Å; L554-L558 HydrophobicContact CG-CG 4.32Å; L554-L558 WeakPolarHBondContact O-CG 3.46Å; L554-L558 PolarHBondContact O-N 3.21Å; W555-L558 HydrophobicContact CE3-CD1 4.04Å; W555-L558 HydrophobicContact CZ3-CD1 4Å; W555-L558 PolarHBondContact O-N 3.25Å; L558-A561 PolarHBondContact O-N 3.01Å; L558-M562 WeakPolarHBondContact O-CG 3.22Å; L558-M562 PolarHBondContact O-N 3.47Å; L558-M562 VanDerWaalsContact O-N 3.12Å; L558-I571 HydrophobicContact CB-CB 4.38Å; L558-I571 HydrophobicContact CB-CG1 4.14Å; L558-I571 HydrophobicContact CB-CG2 4.2Å; L558-I571 HydrophobicContact CD1-CG2 4.45Å
559	T	97.3	Very high	94.3	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-64.5	-41.9	174.3	-59.3	0	0	0	0	111.7	W555 A561 M562 R563 I571	W555-T559 VanDerWaalsContact O-CB 3.26Å; W555-T559 WeakPolarHBondContact O-CB 3.33Å; W555-T559 PolarHBondContact O-N 3.41Å; W555-T559 PolarHBondContact O-OG1 2.88Å; T559-A561 VanDerWaalsContact C-N 3.32Å; T559-A561 PolarHBondContact O-N 2.89Å; T559-M562 PolarHBondContact O-N 3.07Å; T559-R563 VanDerWaalsContact CG2-CZ 3.46Å; T559-R563 WeakPolarHBondContact O-CG 3.49Å; T559-R563 PolarHBondContact O-N 2.79Å; T559-I571 WeakPolarHBondContact OG1-CB 3.24Å; T559-I571 PolarHBondContact OG1-N 3.35Å
560	Q	96.3	Very high	94.1	Very high	92 Å²	92	53.3 Å²	53.3	43%	0.43	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-41.5	174.6	-74.4	167.4	38.4	0	0	111.9	S556 K557 M562 R563 S564	S556-Q560 WeakPolarHBondContact O-CB 3.39Å; S556-Q560 WeakPolarHBondContact O-CG 3.43Å; S556-Q560 PolarHBondContact O-N 3.17Å; S556-Q560 PolarHBondContact O-NE2 3.33Å; S556-Q560 PolarHBondContact OG-NE2 2.91Å; K557-Q560 PolarHBondContact O-N 3.15Å; Q560-M562 PolarHBondContact O-N 3.31Å; Q560-R563 PolarHBondContact O-N 2.73Å; Q560-S564 PolarHBondContact O-N 2.79Å
561	A	96.1	Very high	94.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-45	176.1	0	0	0	0	0	111.8	M528 L532 K557 L558 T559 S564	M528-A561 HydrophobicContact CE-CB 4.35Å; L532-A561 VanDerWaalsContact CD2-O 3.3Å; L532-A561 WeakPolarHBondContact CD2-O 3.49Å; K557-A561 PolarHBondContact O-N 3.13Å; L558-A561 PolarHBondContact O-N 3.01Å; T559-A561 VanDerWaalsContact C-N 3.32Å; T559-A561 PolarHBondContact O-N 2.89Å; A561-S564 PolarHBondContact O-N 3.15Å; A561-S564 PolarHBondContact O-OG 3.46Å
562	M	94.1	Very high	94.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-47.8	177.1	-70.2	-73.5	-76.4	0	0	112.6	M528 L532 L558 T559 Q560 S564 E565 R567 I569 I571	M528-M562 HydrophobicContact CB-SD 4.06Å; M528-M562 HydrophobicContact CE-CG 3.82Å; M528-M562 HydrophobicContact CE-SD 4.21Å; M528-M562 HydrophobicContact CG-CG 4.32Å; M528-M562 HydrophobicContact CG-SD 3.82Å; L532-M562 HydrophobicContact CD1-SD 3.88Å; L558-M562 WeakPolarHBondContact O-CG 3.22Å; L558-M562 PolarHBondContact O-N 3.47Å; L558-M562 VanDerWaalsContact O-N 3.12Å; T559-M562 PolarHBondContact O-N 3.07Å; Q560-M562 PolarHBondContact O-N 3.31Å; M562-S564 PolarHBondContact O-N 3.39Å; M562-E565 PolarHBondContact O-N 2.9Å; M562-R567 CarbonylContact C-O 3.34Å; M562-R567 HydrophobicContact CB-CB 4.38Å; M562-R567 HydrophobicContact CE-CB 3.94Å; M562-R567 PolarHBondContact O-N 3.5Å; M562-R567 VanDerWaalsContact O-N 3.15Å; M562-I569 HydrophobicContact CE-CB 3.99Å; M562-I569 HydrophobicContact CE-CD1 3.83Å; M562-I569 HydrophobicContact CE-CG1 4.31Å; M562-I571 HydrophobicContact CG-CD1 4.22Å; M562-I571 HydrophobicContact CG-CG1 4.31Å
563	R	94.8	Very high	93.9	Very high	127 Å²	127	52.2 Å²	52.2	48%	0.479	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-30.5	178.3	-71.9	-179.9	177.4	144.7	11.9	112.4	T559 Q560 E565 G566 D568 D570	T559-R563 VanDerWaalsContact CG2-CZ 3.46Å; T559-R563 WeakPolarHBondContact O-CG 3.49Å; T559-R563 PolarHBondContact O-N 2.79Å; Q560-R563 PolarHBondContact O-N 2.73Å; R563-E565 PolarHBondContact O-N 3.1Å; R563-G566 PolarHBondContact O-N 3.47Å; R563-D568 IonicContact NE-OD1 3.22Å; R563-D570 IonicContact NH2-OD2 3.69Å; R563-D570 PolarHBondContact NH2-OD2 3.45Å
564	S	92.9	Very high	93.8	Very high	61 Å²	61	49.4 Å²	49.4	43%	0.427	26%	0.263	S	S	.	.	H	α-helix	trans	-63.9	-20.4	178.6	76.8	0	0	0	0	114.3	K535 Q560 A561 M562	K535-S564 PolarHBondContact NZ-OG 3.04Å; Q560-S564 PolarHBondContact O-N 2.79Å; A561-S564 PolarHBondContact O-N 3.15Å; A561-S564 PolarHBondContact O-OG 3.46Å; M562-S564 PolarHBondContact O-N 3.39Å
565	E	91.3	Very high	93.7	Very high	131 Å²	131	49.4 Å²	49.4	61%	0.612	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	19.9	175.5	-65.9	-65.2	154.6	0	0	112.2	L532 M562 R563 R567	L532-E565 HydrophobicContact CD1-CB 4.28Å; L532-E565 HydrophobicContact CD1-CG 4.21Å; L532-E565 HydrophobicContact CD2-CB 4.32Å; L532-E565 HydrophobicContact CD2-CG 3.51Å; L532-E565 HydrophobicContact CG-CG 4.25Å; M562-E565 PolarHBondContact O-N 2.9Å; R563-E565 PolarHBondContact O-N 3.1Å; E565-R567 VanDerWaalsContact C-N 3.28Å; E565-R567 PolarHBondContact O-N 3.49Å
566	G	88.2	Confident	93.7	Very high	70 Å²	70	51.6 Å²	51.6	72%	0.722	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	16.3	177.7	0	0	0	0	0	115	R563	R563-G566 PolarHBondContact O-N 3.47Å
567	R	88.8	Confident	93.6	Very high	82 Å²	82	54.6 Å²	54.6	31%	0.309	28%	0.278	S	S	.	.			trans	-92.3	106.3	173.8	-58.6	179.4	68.1	-173.5	0.3	109.6	V527 M528 M562 E565 I569	V527-R567 PolarHBondContact O-NH1 2.66Å; V527-R567 VanDerWaalsContact O-NH1 3.12Å; V527-R567 PolarHBondContact O-NH2 3.32Å; M528-R567 PolarHBondContact O-NH1 3.4Å; M562-R567 CarbonylContact C-O 3.34Å; M562-R567 HydrophobicContact CB-CB 4.38Å; M562-R567 HydrophobicContact CE-CB 3.94Å; M562-R567 PolarHBondContact O-N 3.5Å; M562-R567 VanDerWaalsContact O-N 3.15Å; E565-R567 VanDerWaalsContact C-N 3.28Å; E565-R567 PolarHBondContact O-N 3.49Å; R567-I569 VanDerWaalsContact C-N 3.28Å; R567-I569 PolarHBondContact O-N 3.38Å
568	D	86.2	Confident	93.5	Very high	143 Å²	143	52.7 Å²	52.7	77%	0.765	27%	0.27	S	S	*	.			trans	-86.1	65.4	-179.4	-162.3	28.3	0	0	0	111.7	R563	R563-D568 IonicContact NE-OD1 3.22Å
569	I	86.6	Confident	93.5	Very high	38 Å²	38	52.7 Å²	52.7	20%	0.195	27%	0.27	C	S	.	.			trans	-116.7	122.9	173.5	-60.7	173.1	0	0	0	107.4	M562 R567 I571 W644	M562-I569 HydrophobicContact CE-CB 3.99Å; M562-I569 HydrophobicContact CE-CD1 3.83Å; M562-I569 HydrophobicContact CE-CG1 4.31Å; R567-I569 VanDerWaalsContact C-N 3.28Å; R567-I569 PolarHBondContact O-N 3.38Å; I569-I571 HydrophobicContact CG2-CD1 4.16Å; I569-W644 HydrophobicContact CD1-CZ2 3.96Å
570	D	92.3	Very high	93.4	Very high	58 Å²	58	56.7 Å²	56.7	31%	0.31	29%	0.29	S	S	.	.			trans	-84	111.9	172.6	-160.4	-60.3	0	0	0	110	R563 G572 E573 M574	R563-D570 IonicContact NH2-OD2 3.69Å; R563-D570 PolarHBondContact NH2-OD2 3.45Å; D570-G572 VanDerWaalsContact C-N 3.29Å; D570-G572 PolarHBondContact O-N 3.08Å; D570-G572 WeakPolarHBondContact OD1-CA 3.27Å; D570-G572 PolarHBondContact OD1-N 3.34Å; D570-E573 HydrophobicContact CB-CB 4.09Å; D570-E573 PolarHBondContact OD1-N 3.08Å; D570-M574 PolarHBondContact O-N 3.29Å
571	I	95.5	Very high	93.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-69.6	-31.3	-178	-59.8	-52.9	0	0	0	110.8	L524 M528 W555 L558 T559 M562 I569 M575	L524-I571 HydrophobicContact CD1-CD1 3.86Å; L524-I571 HydrophobicContact CD1-CG1 4.48Å; L524-I571 HydrophobicContact CD1-CG2 3.81Å; L524-I571 HydrophobicContact CD2-CG2 4.05Å; M528-I571 HydrophobicContact CG-CD1 4.46Å; W555-I571 HydrophobicContact CD2-CG2 4.33Å; W555-I571 HydrophobicContact CE3-CG2 3.76Å; W555-I571 HydrophobicContact CZ3-CG2 4.22Å; L558-I571 HydrophobicContact CB-CB 4.38Å; L558-I571 HydrophobicContact CB-CG1 4.14Å; L558-I571 HydrophobicContact CB-CG2 4.2Å; L558-I571 HydrophobicContact CD1-CG2 4.45Å; T559-I571 WeakPolarHBondContact OG1-CB 3.24Å; T559-I571 PolarHBondContact OG1-N 3.35Å; M562-I571 HydrophobicContact CG-CD1 4.22Å; M562-I571 HydrophobicContact CG-CG1 4.31Å; I569-I571 HydrophobicContact CG2-CD1 4.16Å; I571-M575 HydrophobicContact CG2-CG 3.76Å; I571-M575 VanDerWaalsContact O-CB 3.22Å; I571-M575 WeakPolarHBondContact O-CB 3.35Å; I571-M575 VanDerWaalsContact O-CG 3.26Å; I571-M575 WeakPolarHBondContact O-CG 3.39Å; I571-M575 PolarHBondContact O-N 3.13Å
572	G	94.6	Very high	93.1	Very high	9 Å²	9	56.2 Å²	56.2	9%	0.093	29%	0.288	C	S	.	.	H	α-helix	trans	-63.6	-52.7	177	0	0	0	0	0	110.8	D570 M574 M575 D576	D570-G572 VanDerWaalsContact C-N 3.29Å; D570-G572 PolarHBondContact O-N 3.08Å; D570-G572 WeakPolarHBondContact OD1-CA 3.27Å; D570-G572 PolarHBondContact OD1-N 3.34Å; G572-M574 VanDerWaalsContact C-N 3.28Å; G572-M574 PolarHBondContact O-N 2.92Å; G572-M575 PolarHBondContact O-N 3.13Å; G572-D576 VanDerWaalsContact O-CB 3.3Å; G572-D576 WeakPolarHBondContact O-CB 3.32Å; G572-D576 PolarHBondContact O-N 2.87Å
573	E	93	Very high	93.1	Very high	116 Å²	116	56.2 Å²	56.2	54%	0.542	29%	0.288	S	S	.	.	H	α-helix	trans	-57.2	-41.7	-180	-167.9	-172.6	157.9	0	0	112.5	D570 Q624	D570-E573 HydrophobicContact CB-CB 4.09Å; D570-E573 PolarHBondContact OD1-N 3.08Å; E573-Q624 PolarHBondContact OE1-NE2 2.92Å
574	M	93.9	Very high	93.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-55	176.1	178.3	-169.9	168.7	0	0	111.5	M523 V527 D570 G572 D576 R577 Q624 P626 W644	M523-M574 HydrophobicContact CE-CE 4.11Å; V527-M574 HydrophobicContact CG2-CE 4.37Å; D570-M574 PolarHBondContact O-N 3.29Å; G572-M574 VanDerWaalsContact C-N 3.28Å; G572-M574 PolarHBondContact O-N 2.92Å; M574-D576 VanDerWaalsContact C-N 3.34Å; M574-D576 PolarHBondContact O-N 3.26Å; M574-R577 PolarHBondContact O-N 3.38Å; M574-Q624 VanDerWaalsContact CA-OE1 3.29Å; M574-Q624 HydrophobicContact CG-CB 4.3Å; M574-P626 HydrophobicContact CE-CG 3.95Å; M574-W644 HydrophobicContact CE-CH2 4Å; M574-W644 HydrophobicContact CE-CZ3 3.92Å; M574-W644 HydrophobicContact CG-CZ3 4.29Å; M574-W644 HydrophobicContact SD-CH2 3.6Å; M574-W644 HydrophobicContact SD-CZ3 3.68Å
575	M	96.8	Very high	93.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-76.9	-19.3	-169.8	-64.9	-54.9	-61.5	0	0	113.3	L520 M523 L524 W555 I571 G572 R577 W578 T579	L520-M575 HydrophobicContact CB-CE 3.93Å; L520-M575 HydrophobicContact CD1-CE 4.43Å; L520-M575 HydrophobicContact CD2-CE 4.42Å; L520-M575 HydrophobicContact CG-CE 4.49Å; M523-M575 HydrophobicContact CE-SD 4.46Å; L524-M575 HydrophobicContact CD1-CG 4.46Å; L524-M575 HydrophobicContact CD1-SD 4.41Å; L524-M575 HydrophobicContact CD2-CG 4.37Å; W555-M575 HydrophobicContact CD2-CB 4.24Å; W555-M575 HydrophobicContact CH2-CB 3.8Å; W555-M575 HydrophobicContact CH2-CE 4.13Å; W555-M575 HydrophobicContact CH2-CG 3.89Å; W555-M575 HydrophobicContact CZ2-CB 3.43Å; W555-M575 VanDerWaalsContact CZ2-CB 3.43Å; W555-M575 HydrophobicContact CZ2-CG 4.07Å; W555-M575 HydrophobicContact CZ3-CB 4.35Å; W555-M575 HydrophobicContact CZ3-CG 4.13Å; I571-M575 HydrophobicContact CG2-CG 3.76Å; I571-M575 VanDerWaalsContact O-CB 3.22Å; I571-M575 WeakPolarHBondContact O-CB 3.35Å; I571-M575 VanDerWaalsContact O-CG 3.26Å; I571-M575 WeakPolarHBondContact O-CG 3.39Å; I571-M575 PolarHBondContact O-N 3.13Å; G572-M575 PolarHBondContact O-N 3.13Å; M575-R577 PolarHBondContact O-N 3.47Å; M575-W578 HydrophobicContact CE-CB 4.09Å; M575-W578 HydrophobicContact CE-CG 4.5Å; M575-W578 CarbonylContact O-C 3.58Å; M575-W578 PolarHBondContact O-N 2.75Å; M575-T579 WeakPolarHBondContact O-CB 3.35Å; M575-T579 WeakPolarHBondContact O-CG2 3.2Å; M575-T579 PolarHBondContact O-N 3.23Å; M575-T579 PolarHBondContact O-OG1 3.05Å
576	D	95.8	Very high	93.7	Very high	53 Å²	53	41 Å²	41	28%	0.283	22%	0.216	S	C	.	.	H	α-helix	trans	-56	-41.3	169.1	-79	10.3	0	0	0	111.3	R551 G572 M574 W578 T579 L580	R551-D576 IonicContact CZ-OD1 3.46Å; R551-D576 IonicContact NH1-OD1 3.31Å; R551-D576 PolarHBondContact NH1-OD1 3.44Å; R551-D576 IonicContact NH2-OD1 2.76Å; R551-D576 PolarHBondContact NH2-OD1 3.1Å; R551-D576 IonicContact NH2-OD2 3.71Å; G572-D576 VanDerWaalsContact O-CB 3.3Å; G572-D576 WeakPolarHBondContact O-CB 3.32Å; G572-D576 PolarHBondContact O-N 2.87Å; M574-D576 VanDerWaalsContact C-N 3.34Å; M574-D576 PolarHBondContact O-N 3.26Å; D576-W578 PolarHBondContact O-N 3.15Å; D576-T579 PolarHBondContact O-N 2.85Å; D576-L580 HydrophobicContact CB-CD1 4.11Å; D576-L580 WeakPolarHBondContact O-CB 3.27Å; D576-L580 PolarHBondContact O-N 3.44Å
577	R	95.1	Very high	94.1	Very high	120 Å²	120	37.7 Å²	37.7	45%	0.453	18%	0.182	S	C	.	.	H	α-helix	trans	-66.9	-20.1	176.4	-56.9	-61	-178.7	171	-0.3	113.6	M574 M575 Q581 W623 Q624	M574-R577 PolarHBondContact O-N 3.38Å; M575-R577 PolarHBondContact O-N 3.47Å; R577-Q581 WeakPolarHBondContact O-CG 3.43Å; R577-Q581 PolarHBondContact O-NE2 3.29Å; R577-W623 PolarHBondContact O-NE1 2.95Å; R577-W623 VanDerWaalsContact O-NE1 3.15Å; R577-Q624 HydrophobicContact CG-CG 4.46Å
578	W	96.9	Very high	94.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-98.3	-23.8	178.2	-65.6	102	0	0	0	112.9	L520 M523 M575 D576 P585 W623 Q624 V625 Y672 F673	L520-W578 HydrophobicContact CD1-CB 3.96Å; L520-W578 HydrophobicContact CD2-CB 3.79Å; L520-W578 HydrophobicContact CD2-CD2 4.02Å; L520-W578 HydrophobicContact CD2-CE3 3.81Å; L520-W578 HydrophobicContact CD2-CG 4.05Å; M523-W578 HydrophobicContact CE-CD2 3.84Å; M523-W578 HydrophobicContact CE-CE3 4.41Å; M523-W578 HydrophobicContact CE-CG 4.09Å; M523-W578 HydrophobicContact CE-CZ2 4.09Å; M523-W578 HydrophobicContact SD-CZ2 4.3Å; M575-W578 HydrophobicContact CE-CB 4.09Å; M575-W578 HydrophobicContact CE-CG 4.5Å; M575-W578 CarbonylContact O-C 3.58Å; M575-W578 PolarHBondContact O-N 2.75Å; D576-W578 PolarHBondContact O-N 3.15Å; W578-P585 HydrophobicContact CH2-CG 4.03Å; W578-P585 HydrophobicContact CZ3-CG 4.48Å; W578-W623 AromaticContact CD2-CD1 3.56Å; W578-W623 HydrophobicContact CD2-CG 4.45Å; W578-W623 AromaticContact CE2-CD1 3.87Å; W578-W623 AromaticContact CE3-CD1 3.39Å; W578-W623 HydrophobicContact CE3-CG 4.32Å; W578-W623 AromaticContact CE3-NE1 3.83Å; W578-W623 HydrophobicContact CH2-CB 4.07Å; W578-W623 AromaticContact CH2-CD1 3.93Å; W578-W623 HydrophobicContact CH2-CG 4.09Å; W578-W623 HydrophobicContact CZ2-CB 3.82Å; W578-W623 HydrophobicContact CZ2-CG 4.21Å; W578-W623 AromaticContact CZ3-CD1 3.58Å; W578-W623 HydrophobicContact CZ3-CG 4.13Å; W578-Q624 PolarHBondContact NE1-O 3.15Å; W578-Q624 VanDerWaalsContact NE1-O 3.07Å; W578-V625 HydrophobicContact CH2-CG2 4.33Å; W578-V625 HydrophobicContact CZ2-CG2 4.11Å; W578-Y672 HydrophobicContact CE3-CD1 4.27Å; W578-Y672 HydrophobicContact CZ3-CD1 4.09Å; W578-Y672 WeakPolarHBondContact CZ3-O 3.39Å; W578-F673 HydrophobicContact CH2-CD1 4.42Å
579	T	96.5	Very high	95	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-104.2	-34.6	-171.3	52.9	0	0	0	0	114.9	W447 I495 S496 L520 R551 W555 M575 D576	W447-T579 HydrophobicContact CH2-CG2 4.46Å; W447-T579 HydrophobicContact CZ2-CG2 4.18Å; I495-T579 VanDerWaalsContact CG2-CA 3.49Å; I495-T579 HydrophobicContact CG2-CG2 3.82Å; I495-T579 WeakPolarHBondContact CG2-O 3.16Å; I495-T579 PolarHBondContact N-O 3.05Å; S496-T579 PolarHBondContact N-O 2.99Å; S496-T579 VanDerWaalsContact N-O 3.1Å; L520-T579 HydrophobicContact CD1-CG2 4.28Å; R551-T579 PolarHBondContact NH1-OG1 2.99Å; W555-T579 HydrophobicContact CZ2-CG2 3.96Å; M575-T579 WeakPolarHBondContact O-CB 3.35Å; M575-T579 WeakPolarHBondContact O-CG2 3.2Å; M575-T579 PolarHBondContact O-N 3.23Å; M575-T579 PolarHBondContact O-OG1 3.05Å; D576-T579 PolarHBondContact O-N 2.85Å
580	L	95.2	Very high	95.2	Very high	88 Å²	88	28 Å²	28	46%	0.461	14%	0.141	S	C	.	.	S	Bend	trans	-94.7	-1.4	-174.5	-59.5	176.9	0	0	0	114	D576	D576-L580 HydrophobicContact CB-CD1 4.11Å; D576-L580 WeakPolarHBondContact O-CB 3.27Å; D576-L580 PolarHBondContact O-N 3.44Å
581	Q	93.6	Very high	94.9	Very high	26 Å²	26	27.4 Å²	27.4	12%	0.121	14%	0.135	C	C	.	.	S	Bend	trans	-129.7	149.7	175	63.9	-171.7	47.9	0	0	111	R577 L621 Q622	R577-Q581 WeakPolarHBondContact O-CG 3.43Å; R577-Q581 PolarHBondContact O-NE2 3.29Å; Q581-L621 HydrophobicContact CB-CD2 4.19Å; Q581-Q622 PolarHBondContact NE2-O 2.96Å
582	M	93.1	Very high	93.8	Very high	57 Å²	57	29 Å²	29	28%	0.281	14%	0.144	S	C	.	.			trans	-75.9	163.5	178	75.1	-175.6	-173	0	0	112
583	G	94.4	Very high	92	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	74.3	-170.3	171.9	0	0	0	0	0	114.9	D487 K516	D487-G583 VanDerWaalsContact CG-CA 3.43Å; D487-G583 WeakPolarHBondContact O-CA 3.44Å; D487-G583 WeakPolarHBondContact OD1-CA 3.31Å; D487-G583 PolarHBondContact OD1-N 2.91Å; D487-G583 VanDerWaalsContact OD2-C 3.25Å; D487-G583 VanDerWaalsContact OD2-CA 3.22Å; D487-G583 WeakPolarHBondContact OD2-CA 3.33Å; D487-G583 PolarHBondContact OD2-N 2.97Å; K516-G583 PolarHBondContact NZ-O 3.46Å
584	Y	96.9	Very high	90.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.			trans	-149.4	160.4	-179.2	58	-91	0	0	0	111.1	M484 D487 F609 Y672 R674	M484-Y584 HydrophobicContact CB-CE1 3.78Å; M484-Y584 HydrophobicContact CE-CD2 4.47Å; M484-Y584 HydrophobicContact CG-CD1 4.17Å; M484-Y584 HydrophobicContact CG-CE1 3.79Å; M484-Y584 HydrophobicContact CG-CE2 4.27Å; M484-Y584 VanDerWaalsContact O-CE1 3.23Å; M484-Y584 WeakPolarHBondContact O-CE1 3.3Å; M484-Y584 PolarHBondContact O-OH 2.88Å; M484-Y584 HydrophobicContact SD-CE2 4.45Å; D487-Y584 HydrophobicContact CB-CD1 4Å; D487-Y584 HydrophobicContact CB-CE1 4.04Å; Y584-F609 HydrophobicContact CD2-CB 4.01Å; Y584-F609 HydrophobicContact CE1-CD1 4.48Å; Y584-F609 HydrophobicContact CE2-CB 3.63Å; Y584-F609 AromaticContact CE2-CD1 3.57Å; Y584-F609 HydrophobicContact CE2-CD1 3.57Å; Y584-F609 HydrophobicContact CE2-CE1 4.42Å; Y584-F609 AromaticContact CE2-CG 3.73Å; Y584-F609 HydrophobicContact CE2-CG 3.73Å; Y584-F609 AromaticContact CZ-CD1 3.48Å; Y584-F609 VanDerWaalsContact CZ-CD1 3.48Å; Y584-F609 PolarHBondContact O-N 3.32Å; Y584-F609 WeakPolarHBondContact OH-CD1 3.49Å; Y584-F609 VanDerWaalsContact OH-CE1 3.27Å; Y584-F609 WeakPolarHBondContact OH-CE1 3.28Å; Y584-Y672 AromaticContact CD1-CE1 3.97Å; Y584-Y672 HydrophobicContact CD1-CE1 3.97Å; Y584-Y672 HydrophobicContact CG-CE1 4.15Å; Y584-R674 HydrophobicContact CD2-CG 4.38Å; Y584-R674 HydrophobicContact CE2-CG 3.66Å; Y584-R674 PolarHBondContact OH-NE 3.19Å
585	P	96.7	Very high	88.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	150.6	179.1	29.1	-27.6	0	0	0	112.7	W578 Q606 E607 W623 V625 F673 R674	W578-P585 HydrophobicContact CH2-CG 4.03Å; W578-P585 HydrophobicContact CZ3-CG 4.48Å; P585-Q606 HydrophobicContact CB-CB 4.25Å; P585-E607 CarbonylContact C-O 3.59Å; P585-E607 WeakPolarHBondContact CA-O 3.3Å; P585-W623 HydrophobicContact CB-CD2 4.21Å; P585-W623 HydrophobicContact CB-CE3 3.61Å; P585-W623 HydrophobicContact CB-CZ3 3.94Å; P585-W623 HydrophobicContact CG-CB 4.23Å; P585-W623 HydrophobicContact CG-CD2 3.89Å; P585-W623 HydrophobicContact CG-CE3 3.82Å; P585-W623 HydrophobicContact CG-CG 4.1Å; P585-V625 HydrophobicContact CG-CG2 3.94Å; P585-F673 HydrophobicContact CG-CB 3.81Å; P585-F673 WeakPolarHBondContact O-CA 3.46Å; P585-F673 VanDerWaalsContact O-CB 3.3Å; P585-F673 WeakPolarHBondContact O-CB 3.36Å; P585-R674 PolarHBondContact O-N 2.99Å; P585-R674 VanDerWaalsContact O-N 3.16Å
586	V	97.2	Very high	86.5	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129	150	55.4	0	0	0	0	108.4	Q606 E607 F609 R674 N676 L711 Y716	V586-Q606 WeakPolarHBondContact O-CA 3.36Å; V586-E607 HydrophobicContact CG1-CG 3.42Å; V586-E607 VanDerWaalsContact CG1-CG 3.42Å; V586-E607 PolarHBondContact N-O 3.32Å; V586-E607 PolarHBondContact O-N 3.07Å; V586-E607 VanDerWaalsContact O-N 3.12Å; V586-F609 HydrophobicContact CB-CB 4.14Å; V586-F609 HydrophobicContact CB-CD2 3.98Å; V586-F609 HydrophobicContact CG1-CB 4.25Å; V586-F609 HydrophobicContact CG1-CD2 4.24Å; V586-R674 CarbonylContact C-O 3.56Å; V586-R674 WeakPolarHBondContact CA-O 3.37Å; V586-R674 HydrophobicContact CG2-CB 4.49Å; V586-N676 HydrophobicContact CG2-CB 3.86Å; V586-L711 HydrophobicContact CG2-CD2 3.69Å; V586-Y716 HydrophobicContact CG1-CE1 4.35Å; V586-Y716 HydrophobicContact CG1-CE2 4.3Å
587	V	98	Very high	84.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	112.2	178.9	-179.8	0	0	0	0	108.3	I589 V604 T605 V625 L627 F673 R674 V675 N676	V587-I589 HydrophobicContact CG1-CG1 4.4Å; V587-V604 HydrophobicContact CG1-CG1 3.46Å; V587-V604 VanDerWaalsContact CG1-CG1 3.46Å; V587-T605 CarbonylContact C-O 3.11Å; V587-T605 WeakPolarHBondContact CA-O 3.27Å; V587-V625 HydrophobicContact CG2-CG1 4.28Å; V587-L627 HydrophobicContact CG1-CD1 4.39Å; V587-L627 HydrophobicContact CG1-CD2 4.13Å; V587-F673 HydrophobicContact CB-CD2 4.14Å; V587-F673 HydrophobicContact CB-CE2 4.5Å; V587-F673 HydrophobicContact CG2-CB 4.34Å; V587-F673 HydrophobicContact CG2-CD2 3.63Å; V587-F673 HydrophobicContact CG2-CE2 4.19Å; V587-F673 HydrophobicContact CG2-CG 4.12Å; V587-R674 PolarHBondContact N-O 2.97Å; V587-V675 CarbonylContact O-C 3.53Å; V587-V675 WeakPolarHBondContact O-CA 3.27Å; V587-N676 PolarHBondContact O-N 2.79Å
588	T	97.4	Very high	83.3	Confident	26 Å²	26	50.2 Å²	50.2	16%	0.16	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.4	176.2	-57.3	0	0	0	0	110.1	V604 T605 N676	T588-V604 WeakPolarHBondContact O-CA 2.97Å; T588-T605 WeakPolarHBondContact CB-OG1 3.3Å; T588-T605 PolarHBondContact N-O 3.31Å; T588-T605 PolarHBondContact O-N 3.42Å; T588-N676 CarbonylContact C-O 3.57Å; T588-N676 VanDerWaalsContact CA-O 3.3Å; T588-N676 WeakPolarHBondContact CA-O 3.33Å; T588-N676 HydrophobicContact CG2-CB 4.42Å
589	I	95.3	Very high	81.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.7	176.6	-55.9	172.8	0	0	0	108.5	V587 I602 V604 L627 V629 L663 V675 N676 Y677	V587-I589 HydrophobicContact CG1-CG1 4.4Å; I589-I602 HydrophobicContact CG2-CB 4.42Å; I589-I602 HydrophobicContact CG2-CD1 4.07Å; I589-V604 HydrophobicContact CG1-CG2 4.47Å; I589-L627 HydrophobicContact CD1-CD1 4.32Å; I589-L627 HydrophobicContact CD1-CD2 4.19Å; I589-L627 HydrophobicContact CG1-CD2 4.46Å; I589-V629 HydrophobicContact CD1-CG2 4.36Å; I589-L663 HydrophobicContact CG2-CB 4.43Å; I589-L663 HydrophobicContact CG2-CD1 3.85Å; I589-V675 HydrophobicContact CD1-CG1 3.78Å; I589-V675 HydrophobicContact CG1-CG1 4.2Å; I589-N676 PolarHBondContact N-O 3.29Å; I589-Y677 HydrophobicContact CB-CD1 4.03Å; I589-Y677 HydrophobicContact CB-CE1 4.28Å; I589-Y677 HydrophobicContact CD1-CE1 4.12Å; I589-Y677 WeakPolarHBondContact O-CA 3.47Å
590	S	91.2	Very high	81	Confident	35 Å²	35	56.8 Å²	56.8	25%	0.245	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144	176.4	57.7	0	0	0	0	111.1	I602 T603	S590-I602 WeakPolarHBondContact O-CA 3.27Å; S590-T603 PolarHBondContact N-O 3.19Å; S590-T603 PolarHBondContact O-N 3.03Å; S590-T603 PolarHBondContact OG-O 3.12Å
591	K	86.5	Confident	80.6	Confident	44 Å²	44	55.7 Å²	55.7	19%	0.191	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	132.2	169.2	-66.5	-177.9	-177.2	178.3	0	108.6	Q593 D658 T661 L663	K591-Q593 PolarHBondContact O-N 2.96Å; K591-D658 PolarHBondContact NZ-O 2.98Å; K591-T661 WeakPolarHBondContact CE-O 3.46Å; K591-T661 PolarHBondContact NZ-O 3.3Å; K591-L663 HydrophobicContact CG-CD1 3.82Å
592	N	71.9	Confident	80.4	Confident	34 Å²	34	54.4 Å²	54.4	18%	0.182	28%	0.278	C	S	.	.			trans	-73.3	115.3	177.5	-155.8	-33.1	0	0	0	109.2	S594 L597 Y601 T603	N592-S594 VanDerWaalsContact OD1-CB 3.26Å; N592-S594 WeakPolarHBondContact OD1-CB 3.43Å; N592-S594 PolarHBondContact OD1-N 2.71Å; N592-S594 VanDerWaalsContact OD1-N 3.16Å; N592-L597 VanDerWaalsContact ND2-CD1 3.27Å; N592-L597 WeakPolarHBondContact ND2-CD1 3.42Å; N592-Y601 PolarHBondContact N-O 3.41Å; N592-T603 PolarHBondContact ND2-OG1 3.27Å
593	Q	56.8	Low	80.4	Confident	184 Å²	184	52.9 Å²	52.9	86%	0.86	27%	0.272	S	S	*	.			trans	-93.5	8.7	177.7	-69.8	-173.1	-6.7	0	0	113	K591 E595	K591-Q593 PolarHBondContact O-N 2.96Å; Q593-E595 PolarHBondContact O-N 2.91Å
594	S	58	Low	80.5	Confident	44 Å²	44	52.9 Å²	52.9	31%	0.308	27%	0.272	S	S	.	.			trans	-63.7	126.8	177.5	178.9	0	0	0	0	110.9	N592 Q596 L597	N592-S594 VanDerWaalsContact OD1-CB 3.26Å; N592-S594 WeakPolarHBondContact OD1-CB 3.43Å; N592-S594 PolarHBondContact OD1-N 2.71Å; N592-S594 VanDerWaalsContact OD1-N 3.16Å; S594-Q596 PolarHBondContact O-N 3.15Å; S594-Q596 PolarHBondContact OG-N 2.94Å; S594-L597 PolarHBondContact O-N 2.75Å; S594-L597 VanDerWaalsContact O-N 3.08Å; S594-L597 VanDerWaalsContact O-O 3.1Å
595	E	54.3	Low	80.4	Confident	202 Å²	202	54.8 Å²	54.8	94%	0.944	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-16.9	173.1	-67.3	-177.1	166.1	0	0	113.2	Q593	Q593-E595 PolarHBondContact O-N 2.91Å
596	Q	56.8	Low	80.3	Confident	179 Å²	179	55.1 Å²	55.1	84%	0.836	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-17.8	-177.6	-60.9	173.6	-0.3	0	0	113.8	S594	S594-Q596 PolarHBondContact O-N 3.15Å; S594-Q596 PolarHBondContact OG-N 2.94Å
597	L	58.8	Low	80.2	Confident	67 Å²	67	58 Å²	58	35%	0.351	30%	0.299	S	S	.	.	S	Bend	trans	-114.1	131.5	-178.8	-76.9	165	0	0	0	110	N592 S594 Y601	N592-L597 VanDerWaalsContact ND2-CD1 3.27Å; N592-L597 WeakPolarHBondContact ND2-CD1 3.42Å; S594-L597 PolarHBondContact O-N 2.75Å; S594-L597 VanDerWaalsContact O-N 3.08Å; S594-L597 VanDerWaalsContact O-O 3.1Å; L597-Y601 HydrophobicContact CB-CD2 4.33Å; L597-Y601 HydrophobicContact CD2-CD2 3.94Å; L597-Y601 HydrophobicContact CD2-CE2 3.95Å; L597-Y601 HydrophobicContact CD2-CG 4.49Å
598	P	63	Low	80	Confident	68 Å²	68	58.9 Å²	58.9	44%	0.442	30%	0.303	S	S	.	.			trans	-65.8	161.4	-178.9	-17.1	29.7	0	0	0	112.5	H600 Y601	P598-H600 VanDerWaalsContact CB-CE1 3.49Å; P598-H600 WeakPolarHBondContact CB-CE1 3.32Å; P598-H600 WeakPolarHBondContact CB-ND1 3.37Å; P598-H600 PolarHBondContact O-N 3.28Å; P598-Y601 PolarHBondContact O-N 3.04Å
599	T	67.4	Low	79.8	Confident	103 Å²	103	57.6 Å²	57.6	63%	0.632	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	5.6	-177.9	59.7	0	0	0	0	115.7	M657	T599-M657 WeakPolarHBondContact O-CE 2.87Å
600	H	77.8	Confident	79.7	Confident	35 Å²	35	57.9 Å²	57.9	16%	0.162	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	6.9	178.6	68.5	-116.1	0	0	0	113.4	P598 R653 I654	P598-H600 VanDerWaalsContact CB-CE1 3.49Å; P598-H600 WeakPolarHBondContact CB-CE1 3.32Å; P598-H600 WeakPolarHBondContact CB-ND1 3.37Å; P598-H600 PolarHBondContact O-N 3.28Å; H600-R653 WeakPolarHBondContact CD2-CG 3.4Å; H600-R653 PolarHBondContact CD2-NE 2.95Å; H600-R653 PolarHBondContact NE2-NE 3.18Å; H600-I654 WeakPolarHBondContact CB-O 2.91Å; H600-I654 CarbonylContact O-C 3.58Å; H600-I654 PolarHBondContact O-N 2.78Å; H600-I654 VanDerWaalsContact O-O 3.05Å
601	Y	86.7	Confident	79.5	Confident	65 Å²	65	57.6 Å²	57.6	26%	0.255	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	142.4	177.2	-73.3	-81.8	0	0	0	112.8	N592 L597 P598 H652 R653	N592-Y601 PolarHBondContact N-O 3.41Å; L597-Y601 HydrophobicContact CB-CD2 4.33Å; L597-Y601 HydrophobicContact CD2-CD2 3.94Å; L597-Y601 HydrophobicContact CD2-CE2 3.95Å; L597-Y601 HydrophobicContact CD2-CG 4.49Å; P598-Y601 PolarHBondContact O-N 3.04Å; Y601-H652 WeakPolarHBondContact CA-O 3.13Å; Y601-H652 WeakPolarHBondContact CD1-O 3.1Å; Y601-R653 HydrophobicContact CD1-CB 4.16Å; Y601-R653 HydrophobicContact CD1-CG 4.39Å; Y601-R653 HydrophobicContact CE1-CB 3.73Å; Y601-R653 HydrophobicContact CE1-CG 3.91Å
602	I	90.9	Very high	78.9	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	148.4	167.8	64	169.6	0	0	0	110	I589 S590 V604 V629 I643 S651 H652 I654 M657 L663	I589-I602 HydrophobicContact CG2-CB 4.42Å; I589-I602 HydrophobicContact CG2-CD1 4.07Å; S590-I602 WeakPolarHBondContact O-CA 3.27Å; I602-V604 HydrophobicContact CD1-CG2 3.72Å; I602-V604 HydrophobicContact CG1-CG2 4.09Å; I602-V629 HydrophobicContact CD1-CG1 4.45Å; I602-V629 HydrophobicContact CD1-CG2 4.41Å; I602-I643 HydrophobicContact CD1-CD1 4.27Å; I602-S651 VanDerWaalsContact O-CA 3.32Å; I602-S651 WeakPolarHBondContact O-CA 3.4Å; I602-H652 HydrophobicContact CG1-CB 4.27Å; I602-H652 PolarHBondContact N-O 3.19Å; I602-H652 PolarHBondContact O-N 3.25Å; I602-I654 HydrophobicContact CB-CG1 4.49Å; I602-I654 HydrophobicContact CD1-CD1 4.18Å; I602-I654 HydrophobicContact CD1-CG1 3.69Å; I602-I654 HydrophobicContact CG1-CG1 3.75Å; I602-I654 HydrophobicContact CG2-CB 4.32Å; I602-I654 HydrophobicContact CG2-CG1 3.97Å; I602-M657 HydrophobicContact CG2-CE 3.79Å; I602-M657 HydrophobicContact CG2-SD 4.05Å; I602-L663 HydrophobicContact CG2-CD1 3.6Å; I602-L663 HydrophobicContact CG2-CD2 4.17Å
603	T	93.2	Very high	78.7	Confident	24 Å²	24	59.9 Å²	59.9	15%	0.147	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.5	166.9	-54.1	0	0	0	0	108.3	S590 N592 T605 T649 E650	S590-T603 PolarHBondContact N-O 3.19Å; S590-T603 PolarHBondContact O-N 3.03Å; S590-T603 PolarHBondContact OG-O 3.12Å; N592-T603 PolarHBondContact ND2-OG1 3.27Å; T603-T605 HydrophobicContact CG2-CG2 4.46Å; T603-T649 HydrophobicContact CG2-CG2 3.9Å; T603-E650 WeakPolarHBondContact CA-O 3.42Å
604	V	95.5	Very high	78.8	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	178.7	-176.8	0	0	0	0	108.5	V587 T588 I589 I602 L627 I645 T649 E650	V587-V604 HydrophobicContact CG1-CG1 3.46Å; V587-V604 VanDerWaalsContact CG1-CG1 3.46Å; T588-V604 WeakPolarHBondContact O-CA 2.97Å; I589-V604 HydrophobicContact CG1-CG2 4.47Å; I602-V604 HydrophobicContact CD1-CG2 3.72Å; I602-V604 HydrophobicContact CG1-CG2 4.09Å; V604-L627 HydrophobicContact CG1-CD2 3.85Å; V604-L627 HydrophobicContact CG2-CD2 4.11Å; V604-I645 HydrophobicContact CB-CD1 3.97Å; V604-I645 HydrophobicContact CG1-CD1 3.74Å; V604-I645 HydrophobicContact CG1-CG1 4Å; V604-I645 HydrophobicContact CG1-CG2 4.48Å; V604-I645 HydrophobicContact CG2-CD1 4.31Å; V604-T649 WeakPolarHBondContact O-CA 3.4Å; V604-E650 PolarHBondContact N-O 2.91Å; V604-E650 PolarHBondContact O-N 3.46Å
605	T	95.5	Very high	78.9	Confident	41 Å²	41	59.4 Å²	59.4	25%	0.252	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.7	174.2	62.9	0	0	0	0	111.2	V587 T588 T603 R648 T649	V587-T605 CarbonylContact C-O 3.11Å; V587-T605 WeakPolarHBondContact CA-O 3.27Å; T588-T605 WeakPolarHBondContact CB-OG1 3.3Å; T588-T605 PolarHBondContact N-O 3.31Å; T588-T605 PolarHBondContact O-N 3.42Å; T603-T605 HydrophobicContact CG2-CG2 4.46Å; T605-R648 CarbonylContact C-O 3.54Å; T605-R648 WeakPolarHBondContact CA-O 3.31Å; T605-T649 HydrophobicContact CG2-CG2 3.81Å; T605-T649 WeakPolarHBondContact CG2-OG1 3.4Å
606	Q	94.9	Very high	79.4	Confident	6 Å²	6	52.3 Å²	52.3	3%	0.028	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.6	171.7	62.9	170.2	-58.3	0	0	111.6	P585 V586 W623 N647 R648	P585-Q606 HydrophobicContact CB-CB 4.25Å; V586-Q606 WeakPolarHBondContact O-CA 3.36Å; Q606-W623 PolarHBondContact NE2-O 3.2Å; Q606-W623 PolarHBondContact OE1-O 3.16Å; Q606-N647 PolarHBondContact NE2-O 2.93Å; Q606-R648 PolarHBondContact N-O 2.83Å
607	E	93.4	Very high	79.4	Confident	60 Å²	60	50.3 Å²	50.3	28%	0.28	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	155.5	170.9	63.4	-170.2	167.7	0	0	110.6	P585 V586 F609 Y716	P585-E607 CarbonylContact C-O 3.59Å; P585-E607 WeakPolarHBondContact CA-O 3.3Å; V586-E607 HydrophobicContact CG1-CG 3.42Å; V586-E607 VanDerWaalsContact CG1-CG 3.42Å; V586-E607 PolarHBondContact N-O 3.32Å; V586-E607 PolarHBondContact O-N 3.07Å; V586-E607 VanDerWaalsContact O-N 3.12Å; E607-F609 PolarHBondContact O-N 3.22Å; E607-Y716 WeakPolarHBondContact OE1-CE1 3.31Å
608	H	94	Very high	79.3	Confident	19 Å²	19	51.5 Å²	51.5	9%	0.088	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	121.6	178.1	-178.6	-157.7	0	0	0	111	L610 W623	H608-L610 PolarHBondContact O-N 2.8Å; H608-W623 HydrophobicContact CB-CH2 3.84Å; H608-W623 HydrophobicContact CB-CZ3 4.12Å; H608-W623 AromaticContact CD2-CH2 3.72Å; H608-W623 AromaticContact CG-CH2 3.92Å
609	F	94.4	Very high	79.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.273	C	S	.	.			trans	-78.4	121.8	178.1	-179.4	-90	0	0	0	111	Y584 V586 E607 Y611 N710 L711 A714 Y716	Y584-F609 HydrophobicContact CD2-CB 4.01Å; Y584-F609 HydrophobicContact CE1-CD1 4.48Å; Y584-F609 HydrophobicContact CE2-CB 3.63Å; Y584-F609 AromaticContact CE2-CD1 3.57Å; Y584-F609 HydrophobicContact CE2-CD1 3.57Å; Y584-F609 HydrophobicContact CE2-CE1 4.42Å; Y584-F609 AromaticContact CE2-CG 3.73Å; Y584-F609 HydrophobicContact CE2-CG 3.73Å; Y584-F609 AromaticContact CZ-CD1 3.48Å; Y584-F609 VanDerWaalsContact CZ-CD1 3.48Å; Y584-F609 PolarHBondContact O-N 3.32Å; Y584-F609 WeakPolarHBondContact OH-CD1 3.49Å; Y584-F609 VanDerWaalsContact OH-CE1 3.27Å; Y584-F609 WeakPolarHBondContact OH-CE1 3.28Å; V586-F609 HydrophobicContact CB-CB 4.14Å; V586-F609 HydrophobicContact CB-CD2 3.98Å; V586-F609 HydrophobicContact CG1-CB 4.25Å; V586-F609 HydrophobicContact CG1-CD2 4.24Å; E607-F609 PolarHBondContact O-N 3.22Å; F609-Y611 HydrophobicContact CE1-CD1 4.29Å; F609-Y611 HydrophobicContact CE1-CD2 4.37Å; F609-Y611 AromaticContact CE1-CE1 3.94Å; F609-Y611 HydrophobicContact CE1-CE1 3.94Å; F609-Y611 HydrophobicContact CE1-CE2 4.01Å; F609-Y611 HydrophobicContact CE1-CG 4.49Å; F609-Y611 AromaticContact CE1-CZ 3.78Å; F609-Y611 HydrophobicContact CZ-CD1 4.22Å; F609-Y611 AromaticContact CZ-CE1 3.85Å; F609-Y611 HydrophobicContact CZ-CE1 3.85Å; F609-N710 HydrophobicContact CZ-CB 4.24Å; F609-L711 HydrophobicContact CE2-CD2 4.14Å; F609-A714 HydrophobicContact CE2-CB 3.82Å; F609-A714 HydrophobicContact CZ-CB 3.79Å; F609-Y716 HydrophobicContact CD2-CD2 4.17Å; F609-Y716 AromaticContact CD2-CE2 3.66Å; F609-Y716 HydrophobicContact CD2-CE2 3.66Å; F609-Y716 AromaticContact CE2-CD2 3.93Å; F609-Y716 HydrophobicContact CE2-CD2 3.93Å; F609-Y716 AromaticContact CE2-CE2 3.81Å; F609-Y716 HydrophobicContact CE2-CE2 3.81Å
610	L	92.2	Very high	79.5	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.031	27%	0.271	C	S	.	.			trans	-139.2	142.4	173.8	-69.1	174.3	0	0	0	110.4	G488 H608 G612 V615 R616	G488-L610 WeakPolarHBondContact O-CA 3.43Å; H608-L610 PolarHBondContact O-N 2.8Å; L610-G612 VanDerWaalsContact C-N 3.3Å; L610-G612 PolarHBondContact O-N 2.63Å; L610-V615 HydrophobicContact CD1-CB 4.04Å; L610-V615 HydrophobicContact CD1-CG1 3.78Å; L610-R616 PolarHBondContact O-NE 2.87Å; L610-R616 PolarHBondContact O-NH2 3.42Å
611	Y	87.7	Confident	79.9	Confident	29 Å²	29	52.3 Å²	52.3	11%	0.114	27%	0.271	C	S	.	.	S	Bend	trans	-69.9	-22.2	178	-71.5	-71.6	0	0	0	114.1	L485 G488 L489 F609 N710 R713 A714	L485-Y611 WeakPolarHBondContact CD2-OH 3.14Å; G488-Y611 WeakPolarHBondContact O-CD2 3.08Å; G488-Y611 PolarHBondContact O-N 2.93Å; L489-Y611 HydrophobicContact CD2-CD2 4.26Å; F609-Y611 HydrophobicContact CE1-CD1 4.29Å; F609-Y611 HydrophobicContact CE1-CD2 4.37Å; F609-Y611 AromaticContact CE1-CE1 3.94Å; F609-Y611 HydrophobicContact CE1-CE1 3.94Å; F609-Y611 HydrophobicContact CE1-CE2 4.01Å; F609-Y611 HydrophobicContact CE1-CG 4.49Å; F609-Y611 AromaticContact CE1-CZ 3.78Å; F609-Y611 HydrophobicContact CZ-CD1 4.22Å; F609-Y611 AromaticContact CZ-CE1 3.85Å; F609-Y611 HydrophobicContact CZ-CE1 3.85Å; Y611-N710 HydrophobicContact CE1-CB 4.25Å; Y611-N710 PolarHBondContact OH-OD1 2.88Å; Y611-R713 HydrophobicContact CD1-CB 4.22Å; Y611-R713 HydrophobicContact CD1-CG 3.79Å; Y611-R713 HydrophobicContact CE1-CB 4.17Å; Y611-R713 HydrophobicContact CE1-CG 4.01Å; Y611-A714 HydrophobicContact CD1-CB 4.04Å
612	G	74.3	Confident	80.2	Confident	9 Å²	9	52.7 Å²	52.7	9%	0.093	28%	0.275	C	S	.	.			trans	-98.9	118.6	178.6	0	0	0	0	0	113.4	L610 E614 V615	L610-G612 VanDerWaalsContact C-N 3.3Å; L610-G612 PolarHBondContact O-N 2.63Å; G612-E614 VanDerWaalsContact C-N 3.33Å; G612-E614 PolarHBondContact O-N 3.22Å; G612-V615 PolarHBondContact O-N 3.34Å
613	E	67.3	Low	80.4	Confident	116 Å²	116	52.8 Å²	52.8	54%	0.542	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-58.3	-39.5	178.5	-71.6	-176.2	166.6	0	0	113.4	V615 R616	E613-V615 PolarHBondContact O-N 3.09Å; E613-R616 WeakPolarHBondContact O-CB 3.45Å; E613-R616 PolarHBondContact O-N 2.97Å
614	E	59.4	Low	80.5	Confident	144 Å²	144	53.3 Å²	53.3	67%	0.673	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-66.1	-19	-178.2	-63.9	173.4	-165.4	0	0	113.2	G612 N617	G612-E614 VanDerWaalsContact C-N 3.33Å; G612-E614 PolarHBondContact O-N 3.22Å; E614-N617 PolarHBondContact O-ND2 3.29Å
615	V	60	Low	80.6	Confident	75 Å²	75	53.3 Å²	53.3	46%	0.455	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-93.4	-9.3	-176.8	-162.8	0	0	0	0	111.8	L610 G612 E613 N617	L610-V615 HydrophobicContact CD1-CB 4.04Å; L610-V615 HydrophobicContact CD1-CG1 3.78Å; G612-V615 PolarHBondContact O-N 3.34Å; E613-V615 PolarHBondContact O-N 3.09Å; V615-N617 PolarHBondContact O-N 3.01Å; V615-N617 VanDerWaalsContact O-N 3.09Å
616	R	65.2	Low	80.6	Confident	52 Å²	52	51.7 Å²	51.7	20%	0.196	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	1	-176.7	-65	-176.4	-177.2	161.8	3.6	115.3	L610 E613 N618 A714 Y716	L610-R616 PolarHBondContact O-NE 2.87Å; L610-R616 PolarHBondContact O-NH2 3.42Å; E613-R616 WeakPolarHBondContact O-CB 3.45Å; E613-R616 PolarHBondContact O-N 2.97Å; R616-N618 PolarHBondContact O-N 2.98Å; R616-N618 VanDerWaalsContact O-N 3.16Å; R616-A714 PolarHBondContact NH1-O 2.84Å; R616-A714 PolarHBondContact NH2-O 2.94Å; R616-Y716 VanDerWaalsContact CZ-CE2 3.41Å; R616-Y716 PolarHBondContact NE-OH 3.44Å; R616-Y716 VanDerWaalsContact NE-OH 3.15Å
617	N	55.5	Low	80.7	Confident	137 Å²	137	51.4 Å²	51.4	73%	0.733	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-7.5	-175.5	-70.9	-31	0	0	0	114	E614 V615 L619	E614-N617 PolarHBondContact O-ND2 3.29Å; V615-N617 PolarHBondContact O-N 3.01Å; V615-N617 VanDerWaalsContact O-N 3.09Å; N617-L619 PolarHBondContact O-N 2.89Å
618	N	58.1	Low	80.8	Confident	93 Å²	93	49 Å²	49	50%	0.497	25%	0.254	S	S	.	.			trans	-85.7	91.5	175.6	-162.6	-2.6	0	0	0	112	R616 S620	R616-N618 PolarHBondContact O-N 2.98Å; R616-N618 VanDerWaalsContact O-N 3.16Å; N618-S620 VanDerWaalsContact C-N 3.27Å; N618-S620 PolarHBondContact O-N 2.8Å; N618-S620 PolarHBondContact OD1-N 2.83Å; N618-S620 PolarHBondContact OD1-OG 2.96Å
619	L	62.7	Low	80.8	Confident	107 Å²	107	48.1 Å²	48.1	56%	0.56	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	3	-175.5	-61.5	171.5	0	0	0	114.2	N617 R648	N617-L619 PolarHBondContact O-N 2.89Å; L619-R648 VanDerWaalsContact CD2-NH2 3.26Å
620	S	71.6	Confident	80.7	Confident	83 Å²	83	48.3 Å²	48.3	58%	0.58	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-19.8	-169.4	71.2	0	0	0	0	115.3	N618	N618-S620 VanDerWaalsContact C-N 3.27Å; N618-S620 PolarHBondContact O-N 2.8Å; N618-S620 PolarHBondContact OD1-N 2.83Å; N618-S620 PolarHBondContact OD1-OG 2.96Å
621	L	86.3	Confident	80.7	Confident	33 Å²	33	48.7 Å²	48.7	17%	0.173	26%	0.255	C	S	.	.			trans	-78.7	126.9	-176.7	-62.7	179.4	0	0	0	110.9	Q581 W623	Q581-L621 HydrophobicContact CB-CD2 4.19Å; L621-W623 HydrophobicContact CB-CH2 3.8Å; L621-W623 HydrophobicContact CB-CZ3 4Å; L621-W623 HydrophobicContact CD1-CH2 4.4Å
622	Q	91.4	Very high	80.8	Confident	73 Å²	73	47.4 Å²	47.4	34%	0.341	25%	0.251	S	S	.	.			trans	-138.8	149.3	179.2	-65.5	178.6	-3.1	0	0	109.3	Q581	Q581-Q622 PolarHBondContact NE2-O 2.96Å
623	W	95.4	Very high	81.4	Confident	2 Å²	2	50 Å²	50	1%	0.008	26%	0.262	C	S	.	.			trans	-123.2	153	178.1	-66	-98	0	0	0	110.3	R577 W578 P585 Q606 H608 L621 V625	R577-W623 PolarHBondContact O-NE1 2.95Å; R577-W623 VanDerWaalsContact O-NE1 3.15Å; W578-W623 AromaticContact CD2-CD1 3.56Å; W578-W623 HydrophobicContact CD2-CG 4.45Å; W578-W623 AromaticContact CE2-CD1 3.87Å; W578-W623 AromaticContact CE3-CD1 3.39Å; W578-W623 HydrophobicContact CE3-CG 4.32Å; W578-W623 AromaticContact CE3-NE1 3.83Å; W578-W623 HydrophobicContact CH2-CB 4.07Å; W578-W623 AromaticContact CH2-CD1 3.93Å; W578-W623 HydrophobicContact CH2-CG 4.09Å; W578-W623 HydrophobicContact CZ2-CB 3.82Å; W578-W623 HydrophobicContact CZ2-CG 4.21Å; W578-W623 AromaticContact CZ3-CD1 3.58Å; W578-W623 HydrophobicContact CZ3-CG 4.13Å; P585-W623 HydrophobicContact CB-CD2 4.21Å; P585-W623 HydrophobicContact CB-CE3 3.61Å; P585-W623 HydrophobicContact CB-CZ3 3.94Å; P585-W623 HydrophobicContact CG-CB 4.23Å; P585-W623 HydrophobicContact CG-CD2 3.89Å; P585-W623 HydrophobicContact CG-CE3 3.82Å; P585-W623 HydrophobicContact CG-CG 4.1Å; Q606-W623 PolarHBondContact NE2-O 3.2Å; Q606-W623 PolarHBondContact OE1-O 3.16Å; H608-W623 HydrophobicContact CB-CH2 3.84Å; H608-W623 HydrophobicContact CB-CZ3 4.12Å; H608-W623 AromaticContact CD2-CH2 3.72Å; H608-W623 AromaticContact CG-CH2 3.92Å; L621-W623 HydrophobicContact CB-CH2 3.8Å; L621-W623 HydrophobicContact CB-CZ3 4Å; L621-W623 HydrophobicContact CD1-CH2 4.4Å; W623-V625 HydrophobicContact CB-CG2 3.8Å; W623-V625 PolarHBondContact O-N 2.76Å
624	Q	95.6	Very high	82	Confident	35 Å²	35	48.2 Å²	48.2	16%	0.164	26%	0.259	C	S	.	.			trans	-86.3	100.4	163.1	-67.7	-171.4	-3	0	0	107.8	E573 M574 R577 W578 P626 I645 N646	E573-Q624 PolarHBondContact OE1-NE2 2.92Å; M574-Q624 VanDerWaalsContact CA-OE1 3.29Å; M574-Q624 HydrophobicContact CG-CB 4.3Å; R577-Q624 HydrophobicContact CG-CG 4.46Å; W578-Q624 PolarHBondContact NE1-O 3.15Å; W578-Q624 VanDerWaalsContact NE1-O 3.07Å; Q624-P626 WeakPolarHBondContact O-CD 3.49Å; Q624-I645 WeakPolarHBondContact CA-O 3.35Å; Q624-N646 WeakPolarHBondContact CG-OD1 3.28Å
625	V	97	Very high	83.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.9	-170.2	-173.6	0	0	0	0	110.9	W578 P585 V587 W623 L627 I645 F673	W578-V625 HydrophobicContact CH2-CG2 4.33Å; W578-V625 HydrophobicContact CZ2-CG2 4.11Å; P585-V625 HydrophobicContact CG-CG2 3.94Å; V587-V625 HydrophobicContact CG2-CG1 4.28Å; W623-V625 HydrophobicContact CB-CG2 3.8Å; W623-V625 PolarHBondContact O-N 2.76Å; V625-L627 VanDerWaalsContact C-N 3.34Å; V625-L627 HydrophobicContact CG1-CB 4.45Å; V625-L627 PolarHBondContact O-N 2.81Å; V625-L627 VanDerWaalsContact O-N 3.08Å; V625-I645 HydrophobicContact CB-CB 4.17Å; V625-I645 PolarHBondContact N-O 2.9Å; V625-I645 PolarHBondContact O-N 2.83Å; V625-F673 HydrophobicContact CG1-CD1 3.46Å; V625-F673 VanDerWaalsContact CG1-CD1 3.46Å; V625-F673 HydrophobicContact CG1-CD2 4.36Å; V625-F673 HydrophobicContact CG1-CE1 3.33Å; V625-F673 HydrophobicContact CG1-CE2 4.26Å; V625-F673 HydrophobicContact CG1-CG 3.99Å; V625-F673 HydrophobicContact CG1-CZ 3.78Å
626	P	96	Very high	84.2	Confident	6 Å²	6	45 Å²	45	4%	0.039	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	82.2	170	32.7	-32.9	0	0	0	109.5	M523 V527 M574 Q624 T628 L642 W644	M523-P626 HydrophobicContact CG-CG 4.09Å; M523-P626 HydrophobicContact SD-CG 3.91Å; V527-P626 HydrophobicContact CG2-CB 3.78Å; V527-P626 HydrophobicContact CG2-CG 3.86Å; M574-P626 HydrophobicContact CE-CG 3.95Å; Q624-P626 WeakPolarHBondContact O-CD 3.49Å; P626-T628 PolarHBondContact O-N 3.42Å; P626-L642 HydrophobicContact CB-CD1 4.08Å; P626-W644 HydrophobicContact CB-CE3 4.33Å; P626-W644 HydrophobicContact CB-CH2 3.98Å; P626-W644 HydrophobicContact CB-CZ2 4.37Å; P626-W644 HydrophobicContact CB-CZ3 3.96Å
627	L	96.6	Very high	85.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	117.1	-177.3	176.4	65.1	0	0	0	111.1	V587 I589 V604 V625 V629 I643 I645 F673	V587-L627 HydrophobicContact CG1-CD1 4.39Å; V587-L627 HydrophobicContact CG1-CD2 4.13Å; I589-L627 HydrophobicContact CD1-CD1 4.32Å; I589-L627 HydrophobicContact CD1-CD2 4.19Å; I589-L627 HydrophobicContact CG1-CD2 4.46Å; V604-L627 HydrophobicContact CG1-CD2 3.85Å; V604-L627 HydrophobicContact CG2-CD2 4.11Å; V625-L627 VanDerWaalsContact C-N 3.34Å; V625-L627 HydrophobicContact CG1-CB 4.45Å; V625-L627 PolarHBondContact O-N 2.81Å; V625-L627 VanDerWaalsContact O-N 3.08Å; L627-V629 HydrophobicContact CD1-CG2 4.29Å; L627-V629 HydrophobicContact CD2-CG2 3.71Å; L627-V629 HydrophobicContact CG-CG2 3.65Å; L627-I643 WeakPolarHBondContact CA-O 3.45Å; L627-I643 PolarHBondContact N-O 2.94Å; L627-I643 PolarHBondContact O-N 3.05Å; L627-I645 HydrophobicContact CB-CG1 4Å; L627-I645 HydrophobicContact CD2-CD1 4.27Å; L627-I645 HydrophobicContact CD2-CG1 4.18Å; L627-F673 HydrophobicContact CD1-CE2 3.65Å; L627-F673 HydrophobicContact CD1-CZ 3.82Å
628	T	95.9	Very high	86.2	Confident	9 Å²	9	42.9 Å²	42.9	6%	0.055	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.2	167.8	55.8	0	0	0	0	109.6	P626 E640 S641 L642 G665 N666 I667	P626-T628 PolarHBondContact O-N 3.42Å; T628-E640 VanDerWaalsContact CB-OE1 3.27Å; T628-E640 WeakPolarHBondContact CB-OE1 3.48Å; T628-E640 HydrophobicContact CG2-CG 4.39Å; T628-E640 WeakPolarHBondContact CG2-OE1 3.43Å; T628-S641 CarbonylContact C-O 3.5Å; T628-S641 WeakPolarHBondContact CA-O 3.37Å; T628-L642 HydrophobicContact CG2-CD1 3.85Å; T628-G665 CarbonylContact O-C 3.56Å; T628-G665 VanDerWaalsContact O-CA 3.29Å; T628-G665 WeakPolarHBondContact O-CA 3.33Å; T628-N666 PolarHBondContact O-N 2.89Å; T628-N666 WeakPolarHBondContact OG1-CA 3.48Å; T628-I667 PolarHBondContact OG1-N 2.9Å
629	V	94.6	Very high	86.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.1	-179.7	-174.4	0	0	0	0	110	I589 I602 L627 S641 I643 I654 L663 L664	I589-V629 HydrophobicContact CD1-CG2 4.36Å; I602-V629 HydrophobicContact CD1-CG1 4.45Å; I602-V629 HydrophobicContact CD1-CG2 4.41Å; L627-V629 HydrophobicContact CD1-CG2 4.29Å; L627-V629 HydrophobicContact CD2-CG2 3.71Å; L627-V629 HydrophobicContact CG-CG2 3.65Å; V629-S641 PolarHBondContact N-O 3.04Å; V629-S641 PolarHBondContact O-N 3.02Å; V629-I643 HydrophobicContact CG2-CD1 4.08Å; V629-I654 HydrophobicContact CB-CD1 4.31Å; V629-I654 HydrophobicContact CG1-CD1 4.21Å; V629-L663 HydrophobicContact CG1-CD2 4.28Å; V629-L664 CarbonylContact C-O 3.16Å; V629-L664 WeakPolarHBondContact CA-O 3.39Å
630	A	93	Very high	87.9	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.033	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147.5	168.1	0	0	0	0	0	110.8	V637 L664 I667	A630-V637 HydrophobicContact CB-CG1 3.68Å; A630-L664 PolarHBondContact N-O 3.38Å; A630-L664 PolarHBondContact O-N 2.98Å; A630-I667 HydrophobicContact CB-CD1 3.52Å; A630-I667 HydrophobicContact CB-CG1 4.23Å
631	V	91.3	Very high	88.6	Confident	14 Å²	14	44.1 Å²	44.1	9%	0.085	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.6	174.8	-177.1	0	0	0	0	107	C638 I654 M657 T661 L663	V631-C638 HydrophobicContact CB-CB 4.28Å; V631-C638 WeakPolarHBondContact O-CB 3.39Å; V631-C638 PolarHBondContact O-N 3.18Å; V631-I654 HydrophobicContact CG2-CG2 3.18Å; V631-M657 HydrophobicContact CG1-CG 4.1Å; V631-T661 HydrophobicContact CG1-CG2 3.12Å; V631-L663 HydrophobicContact CG2-CD2 4.02Å
632	G	90.1	Very high	88.9	Confident	3 Å²	3	46.7 Å²	46.7	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	166.1	-179.2	0	0	0	0	0	113.7	A636 T661 W662	G632-A636 CarbonylContact C-O 3.47Å; G632-A636 VanDerWaalsContact CA-O 3.29Å; G632-A636 WeakPolarHBondContact CA-O 3.38Å; G632-T661 CarbonylContact O-C 3.47Å; G632-T661 WeakPolarHBondContact O-CA 3.28Å; G632-T661 WeakPolarHBondContact O-CG2 3.48Å; G632-W662 VanDerWaalsContact C-CE2 3.41Å; G632-W662 PolarHBondContact N-O 3.19Å; G632-W662 PolarHBondContact O-N 3.1Å
633	N	86.1	Confident	88.9	Confident	62 Å²	62	44 Å²	44	33%	0.332	26%	0.262	S	S	.	.			trans	-140	-171.4	172.4	66.8	29.3	0	0	0	109.6	S635 A636 W662 Q688	N633-S635 PolarHBondContact O-N 3.07Å; N633-S635 VanDerWaalsContact O-N 3.08Å; N633-S635 PolarHBondContact OD1-N 2.83Å; N633-A636 PolarHBondContact N-O 2.9Å; N633-A636 PolarHBondContact OD1-N 2.96Å; N633-W662 PolarHBondContact O-NE1 3.35Å; N633-Q688 PolarHBondContact O-OE1 3.44Å
634	V	80.8	Confident	88.8	Confident	80 Å²	80	47.2 Å²	47.2	49%	0.485	27%	0.274	S	S	.	.	S	Bend	trans	-53.7	-32.4	-176.8	-174.4	0	0	0	0	113.2	Q688	V634-Q688 PolarHBondContact O-NE2 3.3Å
635	S	82.2	Confident	88.8	Confident	101 Å²	101	45.5 Å²	45.5	71%	0.706	27%	0.266	S	S	*	.	S	Bend	trans	-106.1	-25.3	-169.1	-54.6	0	0	0	0	114.2	N633	N633-S635 PolarHBondContact O-N 3.07Å; N633-S635 VanDerWaalsContact O-N 3.08Å; N633-S635 PolarHBondContact OD1-N 2.83Å
636	A	82.4	Confident	88.6	Confident	51 Å²	51	48.9 Å²	48.9	42%	0.421	28%	0.284	S	S	.	.			trans	-156.5	158.9	-171.5	0	0	0	0	0	113.6	G632 N633	G632-A636 CarbonylContact C-O 3.47Å; G632-A636 VanDerWaalsContact CA-O 3.29Å; G632-A636 WeakPolarHBondContact CA-O 3.38Å; N633-A636 PolarHBondContact N-O 2.9Å; N633-A636 PolarHBondContact OD1-N 2.96Å
637	V	84.8	Confident	88.4	Confident	60 Å²	60	53.1 Å²	53.1	36%	0.364	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-114.3	128.2	167.8	-169.6	0	0	0	0	108.4	A630 W662 I695	A630-V637 HydrophobicContact CB-CG1 3.68Å; V637-W662 HydrophobicContact CB-CH2 4.37Å; V637-W662 HydrophobicContact CG1-CH2 4.13Å; V637-W662 HydrophobicContact CG2-CH2 3.46Å; V637-W662 VanDerWaalsContact CG2-CH2 3.46Å; V637-W662 HydrophobicContact CG2-CZ2 3.91Å; V637-I695 HydrophobicContact CG2-CG2 3.4Å; V637-I695 VanDerWaalsContact CG2-CG2 3.4Å; V637-I695 VanDerWaalsContact CG2-O 3.3Å; V637-I695 WeakPolarHBondContact CG2-O 3.45Å
638	C	78.4	Confident	88.1	Confident	84 Å²	84	57.4 Å²	57.4	57%	0.568	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-73.7	169.1	175.4	-66.1	0	0	0	0	112	V631	V631-C638 HydrophobicContact CB-CB 4.28Å; V631-C638 WeakPolarHBondContact O-CB 3.39Å; V631-C638 PolarHBondContact O-N 3.18Å
639	L	72.4	Confident	88	Confident	162 Å²	162	60.7 Å²	60.7	85%	0.848	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-60.9	138.1	-179.2	-141.8	112.3	0	0	0	111.7
640	E	83.6	Confident	87.9	Confident	95 Å²	95	62.1 Å²	62.1	44%	0.444	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-61.1	135.6	177.5	-179	-178.1	152.7	0	0	111.6	T628 I667	T628-E640 VanDerWaalsContact CB-OE1 3.27Å; T628-E640 WeakPolarHBondContact CB-OE1 3.48Å; T628-E640 HydrophobicContact CG2-CG 4.39Å; T628-E640 WeakPolarHBondContact CG2-OE1 3.43Å; E640-I667 HydrophobicContact CG-CG1 4.03Å
641	S	86.9	Confident	87.8	Confident	52 Å²	52	65 Å²	65	36%	0.364	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.2	171.5	-60.9	0	0	0	0	110	T628 V629	T628-S641 CarbonylContact C-O 3.5Å; T628-S641 WeakPolarHBondContact CA-O 3.37Å; V629-S641 PolarHBondContact N-O 3.04Å; V629-S641 PolarHBondContact O-N 3.02Å
642	L	91.4	Very high	87.8	Confident	87 Å²	87	66 Å²	66	46%	0.455	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.5	171.5	178.8	65.8	0	0	0	109.9	P626 T628	P626-L642 HydrophobicContact CB-CD1 4.08Å; T628-L642 HydrophobicContact CG2-CD1 3.85Å
643	I	93.2	Very high	87.7	Confident	17 Å²	17	74.4 Å²	74.4	9%	0.087	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.8	179.9	-60.7	172.2	0	0	0	108.4	I602 L627 V629 I645 H652 I654	I602-I643 HydrophobicContact CD1-CD1 4.27Å; L627-I643 WeakPolarHBondContact CA-O 3.45Å; L627-I643 PolarHBondContact N-O 2.94Å; L627-I643 PolarHBondContact O-N 3.05Å; V629-I643 HydrophobicContact CG2-CD1 4.08Å; I643-I645 HydrophobicContact CB-CD1 4.49Å; I643-I645 HydrophobicContact CG2-CD1 3.52Å; I643-I645 HydrophobicContact CG2-CG1 4.47Å; I643-H652 HydrophobicContact CD1-CB 3.85Å; I643-H652 HydrophobicContact CG2-CB 4.36Å; I643-H652 WeakPolarHBondContact CG2-CE1 3.47Å; I643-H652 VanDerWaalsContact CG2-ND1 3.33Å; I643-H652 WeakPolarHBondContact CG2-ND1 3.34Å; I643-I654 HydrophobicContact CD1-CD1 3.88Å
644	W	93.3	Very high	87.6	Confident	68 Å²	68	72 Å²	72	26%	0.258	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	116.6	172.6	-71.9	94.6	0	0	0	109.8	V527 I569 M574 P626	V527-W644 HydrophobicContact CG1-CH2 3.84Å; V527-W644 HydrophobicContact CG1-CZ2 3.94Å; V527-W644 HydrophobicContact CG2-CH2 4.43Å; I569-W644 HydrophobicContact CD1-CZ2 3.96Å; M574-W644 HydrophobicContact CE-CH2 4Å; M574-W644 HydrophobicContact CE-CZ3 3.92Å; M574-W644 HydrophobicContact CG-CZ3 4.29Å; M574-W644 HydrophobicContact SD-CH2 3.6Å; M574-W644 HydrophobicContact SD-CZ3 3.68Å; P626-W644 HydrophobicContact CB-CE3 4.33Å; P626-W644 HydrophobicContact CB-CH2 3.98Å; P626-W644 HydrophobicContact CB-CZ2 4.37Å; P626-W644 HydrophobicContact CB-CZ3 3.96Å
645	I	95.2	Very high	87.3	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.2	176.6	-47	-62.3	0	0	0	108.2	V604 Q624 V625 L627 I643 H652	V604-I645 HydrophobicContact CB-CD1 3.97Å; V604-I645 HydrophobicContact CG1-CD1 3.74Å; V604-I645 HydrophobicContact CG1-CG1 4Å; V604-I645 HydrophobicContact CG1-CG2 4.48Å; V604-I645 HydrophobicContact CG2-CD1 4.31Å; Q624-I645 WeakPolarHBondContact CA-O 3.35Å; V625-I645 HydrophobicContact CB-CB 4.17Å; V625-I645 PolarHBondContact N-O 2.9Å; V625-I645 PolarHBondContact O-N 2.83Å; L627-I645 HydrophobicContact CB-CG1 4Å; L627-I645 HydrophobicContact CD2-CD1 4.27Å; L627-I645 HydrophobicContact CD2-CG1 4.18Å; I643-I645 HydrophobicContact CB-CD1 4.49Å; I643-I645 HydrophobicContact CG2-CD1 3.52Å; I643-I645 HydrophobicContact CG2-CG1 4.47Å; I645-H652 WeakPolarHBondContact CD1-NE2 3.43Å
646	N	91.9	Very high	87.1	Confident	71 Å²	71	74.4 Å²	74.4	38%	0.38	40%	0.398	S	S	.	.			trans	-112.9	-32.3	-177	-65.8	-39.4	0	0	0	112.2	Q624 E650	Q624-N646 WeakPolarHBondContact CG-OD1 3.28Å; N646-E650 PolarHBondContact N-OE1 3.33Å
647	N	91.9	Very high	87.1	Confident	94 Å²	94	72.6 Å²	72.6	50%	0.503	38%	0.381	S	S	.	.	S	Bend	trans	-99.3	169	179.9	-57.5	-71.1	0	0	0	110.9	Q606 T649 E650	Q606-N647 PolarHBondContact NE2-O 2.93Å; N647-T649 VanDerWaalsContact C-N 3.33Å; N647-T649 PolarHBondContact O-N 2.68Å; N647-E650 HydrophobicContact CB-CG 3.85Å; N647-E650 VanDerWaalsContact CB-OE1 3.31Å; N647-E650 WeakPolarHBondContact CB-OE1 3.49Å; N647-E650 PolarHBondContact N-OE1 3.22Å; N647-E650 PolarHBondContact ND2-OE1 3.43Å
648	R	91.1	Very high	86.9	Confident	90 Å²	90	73.8 Å²	73.8	34%	0.34	39%	0.385	S	S	.	.	S	Bend	trans	-60.6	-41.4	177.7	-173.2	-179.1	-178.4	121.4	5.2	113	T605 Q606 L619	T605-R648 CarbonylContact C-O 3.54Å; T605-R648 WeakPolarHBondContact CA-O 3.31Å; Q606-R648 PolarHBondContact N-O 2.83Å; L619-R648 VanDerWaalsContact CD2-NH2 3.26Å
649	T	93	Very high	87	Confident	78 Å²	78	76.7 Å²	76.7	48%	0.479	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	125	-177.9	-58	0	0	0	0	108.7	T603 V604 T605 N647	T603-T649 HydrophobicContact CG2-CG2 3.9Å; V604-T649 WeakPolarHBondContact O-CA 3.4Å; T605-T649 HydrophobicContact CG2-CG2 3.81Å; T605-T649 WeakPolarHBondContact CG2-OG1 3.4Å; N647-T649 VanDerWaalsContact C-N 3.33Å; N647-T649 PolarHBondContact O-N 2.68Å
650	E	92.9	Very high	87.6	Confident	32 Å²	32	71.9 Å²	71.9	15%	0.15	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.3	178.5	-63.2	-169.3	-170	0	0	110.9	T603 V604 N646 N647 H652	T603-E650 WeakPolarHBondContact CA-O 3.42Å; V604-E650 PolarHBondContact N-O 2.91Å; V604-E650 PolarHBondContact O-N 3.46Å; N646-E650 PolarHBondContact N-OE1 3.33Å; N647-E650 HydrophobicContact CB-CG 3.85Å; N647-E650 VanDerWaalsContact CB-OE1 3.31Å; N647-E650 WeakPolarHBondContact CB-OE1 3.49Å; N647-E650 PolarHBondContact N-OE1 3.22Å; N647-E650 PolarHBondContact ND2-OE1 3.43Å; E650-H652 WeakPolarHBondContact CB-NE2 3.3Å; E650-H652 IonicContact OE2-CE1 3.59Å; E650-H652 PolarHBondContact OE2-CE1 3.4Å; E650-H652 IonicContact OE2-NE2 3.58Å; E650-H652 PolarHBondContact OE2-NE2 3.34Å
651	S	91.8	Very high	87.8	Confident	65 Å²	65	67.8 Å²	67.8	46%	0.455	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127	175.3	-69.2	0	0	0	0	109.7	I602	I602-S651 VanDerWaalsContact O-CA 3.32Å; I602-S651 WeakPolarHBondContact O-CA 3.4Å
652	H	90.7	Very high	88.2	Confident	35 Å²	35	65.4 Å²	65.4	16%	0.162	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.8	-175.5	-59.7	-82.9	0	0	0	111.6	Y601 I602 I643 I645 E650	Y601-H652 WeakPolarHBondContact CA-O 3.13Å; Y601-H652 WeakPolarHBondContact CD1-O 3.1Å; I602-H652 HydrophobicContact CG1-CB 4.27Å; I602-H652 PolarHBondContact N-O 3.19Å; I602-H652 PolarHBondContact O-N 3.25Å; I643-H652 HydrophobicContact CD1-CB 3.85Å; I643-H652 HydrophobicContact CG2-CB 4.36Å; I643-H652 WeakPolarHBondContact CG2-CE1 3.47Å; I643-H652 VanDerWaalsContact CG2-ND1 3.33Å; I643-H652 WeakPolarHBondContact CG2-ND1 3.34Å; I645-H652 WeakPolarHBondContact CD1-NE2 3.43Å; E650-H652 WeakPolarHBondContact CB-NE2 3.3Å; E650-H652 IonicContact OE2-CE1 3.59Å; E650-H652 PolarHBondContact OE2-CE1 3.4Å; E650-H652 IonicContact OE2-NE2 3.58Å; E650-H652 PolarHBondContact OE2-NE2 3.34Å
653	R	87.6	Confident	88.3	Confident	178 Å²	178	61.3 Å²	61.3	67%	0.672	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.1	175	-153.3	-167.2	176	171.7	-4.3	109.3	H600 Y601	H600-R653 WeakPolarHBondContact CD2-CG 3.4Å; H600-R653 PolarHBondContact CD2-NE 2.95Å; H600-R653 PolarHBondContact NE2-NE 3.18Å; Y601-R653 HydrophobicContact CD1-CB 4.16Å; Y601-R653 HydrophobicContact CD1-CG 4.39Å; Y601-R653 HydrophobicContact CE1-CB 3.73Å; Y601-R653 HydrophobicContact CE1-CG 3.91Å
654	I	84.6	Confident	88.4	Confident	11 Å²	11	60.8 Å²	60.8	6%	0.056	32%	0.315	C	S	.	.			trans	-118	170.3	173.6	-71.9	-68.1	0	0	0	108.5	H600 I602 V629 V631 I643 M657	H600-I654 WeakPolarHBondContact CB-O 2.91Å; H600-I654 CarbonylContact O-C 3.58Å; H600-I654 PolarHBondContact O-N 2.78Å; H600-I654 VanDerWaalsContact O-O 3.05Å; I602-I654 HydrophobicContact CB-CG1 4.49Å; I602-I654 HydrophobicContact CD1-CD1 4.18Å; I602-I654 HydrophobicContact CD1-CG1 3.69Å; I602-I654 HydrophobicContact CG1-CG1 3.75Å; I602-I654 HydrophobicContact CG2-CB 4.32Å; I602-I654 HydrophobicContact CG2-CG1 3.97Å; V629-I654 HydrophobicContact CB-CD1 4.31Å; V629-I654 HydrophobicContact CG1-CD1 4.21Å; V631-I654 HydrophobicContact CG2-CG2 3.18Å; I643-I654 HydrophobicContact CD1-CD1 3.88Å; I654-M657 HydrophobicContact CB-CE 4.15Å; I654-M657 HydrophobicContact CB-SD 4.48Å; I654-M657 HydrophobicContact CG2-CE 4.15Å; I654-M657 HydrophobicContact CG2-CG 4.35Å; I654-M657 HydrophobicContact CG2-SD 3.88Å
655	G	74.8	Confident	88.6	Confident	47 Å²	47	57.7 Å²	57.7	49%	0.485	30%	0.304	S	S	.	.	S	Bend	trans	-55.1	176	173.4	0	0	0	0	0	113.5	M657	G655-M657 PolarHBondContact O-N 3.23Å
656	Q	77	Confident	88.7	Confident	185 Å²	185	57.8 Å²	57.8	86%	0.864	31%	0.305	S	S	*	.			trans	-60.9	130.3	176	-72.5	-170.8	-13.8	0	0	110.5
657	M	83.3	Confident	88.9	Confident	13 Å²	13	55.3 Å²	55.3	6%	0.064	29%	0.292	C	S	.	.			trans	-125.3	144.7	177.6	-59.7	174.7	-75.7	0	0	109.7	T599 I602 V631 I654 G655 T661 L663	T599-M657 WeakPolarHBondContact O-CE 2.87Å; I602-M657 HydrophobicContact CG2-CE 3.79Å; I602-M657 HydrophobicContact CG2-SD 4.05Å; V631-M657 HydrophobicContact CG1-CG 4.1Å; I654-M657 HydrophobicContact CB-CE 4.15Å; I654-M657 HydrophobicContact CB-SD 4.48Å; I654-M657 HydrophobicContact CG2-CE 4.15Å; I654-M657 HydrophobicContact CG2-CG 4.35Å; I654-M657 HydrophobicContact CG2-SD 3.88Å; G655-M657 PolarHBondContact O-N 3.23Å; M657-T661 HydrophobicContact CB-CG2 4.24Å; M657-T661 HydrophobicContact CG-CG2 4.16Å; M657-L663 HydrophobicContact SD-CD1 4.28Å; M657-L663 HydrophobicContact SD-CD2 3.71Å; M657-L663 HydrophobicContact SD-CG 4.26Å
658	D	80.1	Confident	89	Confident	86 Å²	86	54.3 Å²	54.3	46%	0.46	29%	0.286	S	S	.	.			trans	-118.5	-176.5	167.9	65.4	29.3	0	0	0	111	K591 S660 T661	K591-D658 PolarHBondContact NZ-O 2.98Å; D658-S660 PolarHBondContact O-N 2.76Å; D658-S660 WeakPolarHBondContact OD1-CA 3.44Å; D658-S660 WeakPolarHBondContact OD1-CB 3.22Å; D658-S660 PolarHBondContact OD1-N 2.74Å; D658-S660 PolarHBondContact OD1-OG 2.73Å; D658-S660 PolarHBondContact OD2-OG 3.07Å; D658-T661 VanDerWaalsContact CG-OG1 3.31Å; D658-T661 PolarHBondContact N-OG1 2.75Å; D658-T661 VanDerWaalsContact N-OG1 3.08Å; D658-T661 WeakPolarHBondContact O-CB 3.41Å; D658-T661 PolarHBondContact O-N 2.81Å; D658-T661 PolarHBondContact OD1-N 2.68Å; D658-T661 PolarHBondContact OD1-OG1 3.36Å
659	D	80.4	Confident	89.2	Confident	144 Å²	144	50.1 Å²	50.1	77%	0.77	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-21.5	-179.2	-68.4	-20.6	0	0	0	113.5
660	S	84.7	Confident	89.3	Confident	61 Å²	61	47.7 Å²	47.7	43%	0.427	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.2	179	76.4	0	0	0	0	113.6	D658	D658-S660 PolarHBondContact O-N 2.76Å; D658-S660 WeakPolarHBondContact OD1-CA 3.44Å; D658-S660 WeakPolarHBondContact OD1-CB 3.22Å; D658-S660 PolarHBondContact OD1-N 2.74Å; D658-S660 PolarHBondContact OD1-OG 2.73Å; D658-S660 PolarHBondContact OD2-OG 3.07Å
661	T	89.2	Confident	89.5	Confident	9 Å²	9	46.2 Å²	46.2	6%	0.055	25%	0.249	C	C	.	.			trans	-77.8	127.6	-177.1	-56.4	0	0	0	0	110.4	K591 V631 G632 M657 D658 L684	K591-T661 WeakPolarHBondContact CE-O 3.46Å; K591-T661 PolarHBondContact NZ-O 3.3Å; V631-T661 HydrophobicContact CG1-CG2 3.12Å; G632-T661 CarbonylContact O-C 3.47Å; G632-T661 WeakPolarHBondContact O-CA 3.28Å; G632-T661 WeakPolarHBondContact O-CG2 3.48Å; M657-T661 HydrophobicContact CB-CG2 4.24Å; M657-T661 HydrophobicContact CG-CG2 4.16Å; D658-T661 VanDerWaalsContact CG-OG1 3.31Å; D658-T661 PolarHBondContact N-OG1 2.75Å; D658-T661 VanDerWaalsContact N-OG1 3.08Å; D658-T661 WeakPolarHBondContact O-CB 3.41Å; D658-T661 PolarHBondContact O-N 2.81Å; D658-T661 PolarHBondContact OD1-N 2.68Å; D658-T661 PolarHBondContact OD1-OG1 3.36Å; T661-L684 WeakPolarHBondContact O-CD1 3.34Å
662	W	93.3	Very high	89.8	Confident	3 Å²	3	43.1 Å²	43.1	1%	0.011	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	151.9	171.7	49	-100.4	0	0	0	111.3	G632 N633 V637 L664 N681 L684 L685 Q688 I695 I696	G632-W662 VanDerWaalsContact C-CE2 3.41Å; G632-W662 PolarHBondContact N-O 3.19Å; G632-W662 PolarHBondContact O-N 3.1Å; N633-W662 PolarHBondContact O-NE1 3.35Å; V637-W662 HydrophobicContact CB-CH2 4.37Å; V637-W662 HydrophobicContact CG1-CH2 4.13Å; V637-W662 HydrophobicContact CG2-CH2 3.46Å; V637-W662 VanDerWaalsContact CG2-CH2 3.46Å; V637-W662 HydrophobicContact CG2-CZ2 3.91Å; W662-L664 HydrophobicContact CE3-CB 4.01Å; W662-L664 HydrophobicContact CZ3-CB 3.67Å; W662-L664 HydrophobicContact CZ3-CD2 4.07Å; W662-N681 WeakPolarHBondContact CA-OD1 3.48Å; W662-L684 HydrophobicContact CB-CB 3.83Å; W662-L684 HydrophobicContact CB-CD1 4.5Å; W662-L685 HydrophobicContact CB-CD2 4.01Å; W662-L685 HydrophobicContact CB-CG 4.27Å; W662-L685 HydrophobicContact CD2-CD2 3.91Å; W662-L685 HydrophobicContact CE3-CD2 3.72Å; W662-L685 HydrophobicContact CG-CD2 4.06Å; W662-L685 HydrophobicContact CZ3-CD2 4.43Å; W662-Q688 HydrophobicContact CZ2-CG 4.03Å; W662-I695 HydrophobicContact CZ2-CG2 4.04Å; W662-I696 HydrophobicContact CH2-CD1 4.45Å; W662-I696 HydrophobicContact CH2-CG1 3.89Å; W662-I696 HydrophobicContact CZ2-CG1 4.11Å
663	L	94.2	Very high	90.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.1	173.6	-69	169	0	0	0	109.6	I589 K591 I602 V629 V631 M657 Y677 N681	I589-L663 HydrophobicContact CG2-CB 4.43Å; I589-L663 HydrophobicContact CG2-CD1 3.85Å; K591-L663 HydrophobicContact CG-CD1 3.82Å; I602-L663 HydrophobicContact CG2-CD1 3.6Å; I602-L663 HydrophobicContact CG2-CD2 4.17Å; V629-L663 HydrophobicContact CG1-CD2 4.28Å; V631-L663 HydrophobicContact CG2-CD2 4.02Å; M657-L663 HydrophobicContact SD-CD1 4.28Å; M657-L663 HydrophobicContact SD-CD2 3.71Å; M657-L663 HydrophobicContact SD-CG 4.26Å; L663-Y677 WeakPolarHBondContact O-CE1 3.45Å; L663-N681 PolarHBondContact N-OD1 2.82Å; L663-N681 PolarHBondContact O-ND2 3.2Å
664	L	96.1	Very high	90.6	Very high	5 Å²	5	33 Å²	33	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	118.7	176.8	179.9	65.2	0	0	0	109.3	V629 A630 W662 I667 I696 N700 L704	V629-L664 CarbonylContact C-O 3.16Å; V629-L664 WeakPolarHBondContact CA-O 3.39Å; A630-L664 PolarHBondContact N-O 3.38Å; A630-L664 PolarHBondContact O-N 2.98Å; W662-L664 HydrophobicContact CE3-CB 4.01Å; W662-L664 HydrophobicContact CZ3-CB 3.67Å; W662-L664 HydrophobicContact CZ3-CD2 4.07Å; L664-I667 HydrophobicContact CB-CD1 4.47Å; L664-I667 HydrophobicContact CD2-CD1 4.09Å; L664-I667 HydrophobicContact CG-CD1 4.01Å; L664-I696 HydrophobicContact CD2-CG2 4.06Å; L664-N700 HydrophobicContact CD1-CB 4.42Å; L664-N700 HydrophobicContact CD2-CB 3.9Å; L664-L704 HydrophobicContact CD1-CD1 4.1Å; L664-L704 HydrophobicContact CD1-CD2 3.92Å; L664-L704 HydrophobicContact CD1-CG 4.17Å
665	G	96.8	Very high	91.3	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	163.1	175.3	0	0	0	0	0	112.8	T628 Y677	T628-G665 CarbonylContact O-C 3.56Å; T628-G665 VanDerWaalsContact O-CA 3.29Å; T628-G665 WeakPolarHBondContact O-CA 3.33Å; G665-Y677 PolarHBondContact N-OH 3.46Å
666	N	97.3	Very high	92.4	Very high	2 Å²	2	31 Å²	31	1%	0.011	17%	0.166	C	C	.	.	S	Bend	trans	55.8	62.9	176.5	-159.9	3.7	0	0	0	112.3	T628 N668 Q669 T670 G671 F673 V675 N700	T628-N666 PolarHBondContact O-N 2.89Å; T628-N666 WeakPolarHBondContact OG1-CA 3.48Å; N666-N668 PolarHBondContact O-N 3.34Å; N666-Q669 WeakPolarHBondContact O-CA 3.46Å; N666-Q669 PolarHBondContact O-N 3.33Å; N666-Q669 WeakPolarHBondContact OD1-CA 3.41Å; N666-T670 PolarHBondContact OD1-N 2.87Å; N666-G671 PolarHBondContact ND2-O 3.21Å; N666-G671 PolarHBondContact OD1-N 2.64Å; N666-F673 HydrophobicContact CB-CD2 4.5Å; N666-F673 HydrophobicContact CB-CE2 3.66Å; N666-F673 HydrophobicContact CB-CZ 3.87Å; N666-F673 PolarHBondContact ND2-O 3.32Å; N666-F673 VanDerWaalsContact ND2-O 3.16Å; N666-V675 HydrophobicContact CB-CG2 3.65Å; N666-N700 PolarHBondContact O-ND2 3.04Å
667	I	95.7	Very high	93.4	Very high	20 Å²	20	22.6 Å²	22.6	10%	0.103	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-57	125.7	-178.8	-53.4	-51.5	0	0	0	110.5	T628 A630 E640 L664 Q669	T628-I667 PolarHBondContact OG1-N 2.9Å; A630-I667 HydrophobicContact CB-CD1 3.52Å; A630-I667 HydrophobicContact CB-CG1 4.23Å; E640-I667 HydrophobicContact CG-CG1 4.03Å; L664-I667 HydrophobicContact CB-CD1 4.47Å; L664-I667 HydrophobicContact CD2-CD1 4.09Å; L664-I667 HydrophobicContact CG-CD1 4.01Å; I667-Q669 PolarHBondContact O-N 2.82Å; I667-Q669 VanDerWaalsContact O-N 3.12Å
668	N	93.6	Very high	93.8	Very high	72 Å²	72	24.5 Å²	24.5	39%	0.385	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	54	20.5	-171.7	-56.7	-45.2	0	0	0	115.3	R522 N666 T670 S697 N700	R522-N668 PolarHBondContact NH2-O 3.25Å; N666-N668 PolarHBondContact O-N 3.34Å; N668-T670 VanDerWaalsContact C-N 3.29Å; N668-T670 PolarHBondContact O-N 3.24Å; N668-S697 WeakPolarHBondContact OD1-CB 3.48Å; N668-S697 PolarHBondContact OD1-OG 2.77Å; N668-N700 PolarHBondContact N-OD1 3.49Å
669	Q	95.8	Very high	94.5	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.014	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	48.4	46.9	-179.5	-63.7	-169.9	-68.2	0	0	113.4	L476 L480 H481 R522 N666 I667 G671	L476-Q669 HydrophobicContact CD1-CB 4.35Å; L476-Q669 HydrophobicContact CD2-CB 4.04Å; L480-Q669 HydrophobicContact CD2-CB 3.74Å; L480-Q669 WeakPolarHBondContact CD2-O 3.48Å; H481-Q669 PolarHBondContact NE2-NE2 3.12Å; H481-Q669 PolarHBondContact NE2-OE1 3.19Å; R522-Q669 PolarHBondContact NH1-O 3.38Å; N666-Q669 WeakPolarHBondContact O-CA 3.46Å; N666-Q669 PolarHBondContact O-N 3.33Å; N666-Q669 WeakPolarHBondContact OD1-CA 3.41Å; I667-Q669 PolarHBondContact O-N 2.82Å; I667-Q669 VanDerWaalsContact O-N 3.12Å; Q669-G671 VanDerWaalsContact C-N 3.32Å
670	T	94.8	Very high	95.1	Very high	26 Å²	26	23.2 Å²	23.2	16%	0.16	13%	0.126	C	C	.	.			trans	-74.2	-25.3	177.1	52.9	0	0	0	0	112.5	M523 N526 N666 N668	M523-T670 WeakPolarHBondContact CA-O 3.3Å; M523-T670 WeakPolarHBondContact CB-O 3.3Å; N526-T670 HydrophobicContact CB-CG2 4.42Å; N666-T670 PolarHBondContact OD1-N 2.87Å; N668-T670 VanDerWaalsContact C-N 3.29Å; N668-T670 PolarHBondContact O-N 3.24Å
671	G	96.9	Very high	95.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	-89	146.5	178.2	0	0	0	0	0	114.1	N666 Q669 F673	N666-G671 PolarHBondContact ND2-O 3.21Å; N666-G671 PolarHBondContact OD1-N 2.64Å; Q669-G671 VanDerWaalsContact C-N 3.32Å; G671-F673 VanDerWaalsContact C-N 3.27Å; G671-F673 PolarHBondContact O-N 2.87Å; G671-F673 VanDerWaalsContact O-N 3.07Å
672	Y	98.2	Very high	96	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.104	C	C	.	.	S	Bend	trans	-84	60.5	177.5	-167.2	-107.6	0	0	0	112.1	L480 V483 M484 D487 K516 A519 L520 W578 Y584	L480-Y672 HydrophobicContact CD1-CD2 3.52Å; L480-Y672 HydrophobicContact CD1-CE2 4.04Å; V483-Y672 HydrophobicContact CG1-CE2 3.61Å; M484-Y672 HydrophobicContact CE-CD2 3.84Å; M484-Y672 HydrophobicContact CE-CE2 4.12Å; M484-Y672 HydrophobicContact CE-CG 4.17Å; M484-Y672 HydrophobicContact CG-CE2 3.92Å; D487-Y672 WeakPolarHBondContact CB-OH 3.29Å; D487-Y672 PolarHBondContact OD2-OH 3.41Å; K516-Y672 HydrophobicContact CD-CE1 3.88Å; K516-Y672 HydrophobicContact CG-CD1 4.44Å; K516-Y672 HydrophobicContact CG-CE1 3.77Å; K516-Y672 HydrophobicContact CG-CE2 4.36Å; A519-Y672 HydrophobicContact CB-CD2 3.58Å; A519-Y672 HydrophobicContact CB-CE2 3.98Å; L520-Y672 HydrophobicContact CD2-CD1 4.17Å; L520-Y672 HydrophobicContact CD2-CG 4.18Å; W578-Y672 HydrophobicContact CE3-CD1 4.27Å; W578-Y672 HydrophobicContact CZ3-CD1 4.09Å; W578-Y672 WeakPolarHBondContact CZ3-O 3.39Å; Y584-Y672 AromaticContact CD1-CE1 3.97Å; Y584-Y672 HydrophobicContact CD1-CE1 3.97Å; Y584-Y672 HydrophobicContact CG-CE1 4.15Å
673	F	98.3	Very high	96.2	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	12%	0.122	C	C	.	.	S	Bend	trans	-154.8	158.4	177.4	56.9	-91.3	0	0	0	111.3	W578 P585 V587 V625 L627 N666 G671 V675	W578-F673 HydrophobicContact CH2-CD1 4.42Å; P585-F673 HydrophobicContact CG-CB 3.81Å; P585-F673 WeakPolarHBondContact O-CA 3.46Å; P585-F673 VanDerWaalsContact O-CB 3.3Å; P585-F673 WeakPolarHBondContact O-CB 3.36Å; V587-F673 HydrophobicContact CB-CD2 4.14Å; V587-F673 HydrophobicContact CB-CE2 4.5Å; V587-F673 HydrophobicContact CG2-CB 4.34Å; V587-F673 HydrophobicContact CG2-CD2 3.63Å; V587-F673 HydrophobicContact CG2-CE2 4.19Å; V587-F673 HydrophobicContact CG2-CG 4.12Å; V625-F673 HydrophobicContact CG1-CD1 3.46Å; V625-F673 VanDerWaalsContact CG1-CD1 3.46Å; V625-F673 HydrophobicContact CG1-CD2 4.36Å; V625-F673 HydrophobicContact CG1-CE1 3.33Å; V625-F673 HydrophobicContact CG1-CE2 4.26Å; V625-F673 HydrophobicContact CG1-CG 3.99Å; V625-F673 HydrophobicContact CG1-CZ 3.78Å; L627-F673 HydrophobicContact CD1-CE2 3.65Å; L627-F673 HydrophobicContact CD1-CZ 3.82Å; N666-F673 HydrophobicContact CB-CD2 4.5Å; N666-F673 HydrophobicContact CB-CE2 3.66Å; N666-F673 HydrophobicContact CB-CZ 3.87Å; N666-F673 PolarHBondContact ND2-O 3.32Å; N666-F673 VanDerWaalsContact ND2-O 3.16Å; G671-F673 VanDerWaalsContact C-N 3.27Å; G671-F673 PolarHBondContact O-N 2.87Å; G671-F673 VanDerWaalsContact O-N 3.07Å; F673-V675 HydrophobicContact CD2-CG2 4.05Å; F673-V675 HydrophobicContact CE2-CG2 3.84Å
674	R	98.2	Very high	96.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	149.2	175.2	-64.7	-173	174.9	-74.4	-0.4	110.7	M484 Y584 P585 V586 V587 D706 D707 N710	M484-R674 HydrophobicContact SD-CG 4.15Å; Y584-R674 HydrophobicContact CD2-CG 4.38Å; Y584-R674 HydrophobicContact CE2-CG 3.66Å; Y584-R674 PolarHBondContact OH-NE 3.19Å; P585-R674 PolarHBondContact O-N 2.99Å; P585-R674 VanDerWaalsContact O-N 3.16Å; V586-R674 CarbonylContact C-O 3.56Å; V586-R674 WeakPolarHBondContact CA-O 3.37Å; V586-R674 HydrophobicContact CG2-CB 4.49Å; V587-R674 PolarHBondContact N-O 2.97Å; R674-D706 IonicContact CZ-OD2 2.68Å; R674-D706 IonicContact NH1-OD2 3.25Å; R674-D706 PolarHBondContact NH1-OD2 3.19Å; R674-D706 IonicContact NH2-OD2 3Å; R674-D706 PolarHBondContact NH2-OD2 3.31Å; R674-D706 VanDerWaalsContact NH2-OD2 3.16Å; R674-D707 WeakPolarHBondContact CB-OD1 3.49Å; R674-D707 VanDerWaalsContact CG-OD1 3.26Å; R674-D707 WeakPolarHBondContact CG-OD1 3.45Å; R674-D707 IonicContact CZ-OD1 2.96Å; R674-D707 IonicContact NH1-OD1 2.82Å; R674-D707 PolarHBondContact NH1-OD1 2.9Å; R674-N710 PolarHBondContact NH2-ND2 2.73Å
675	V	98.4	Very high	96.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.4	177.8	-168.9	0	0	0	0	110.8	V587 I589 N666 F673 Y677 D707 L711	V587-V675 CarbonylContact O-C 3.53Å; V587-V675 WeakPolarHBondContact O-CA 3.27Å; I589-V675 HydrophobicContact CD1-CG1 3.78Å; I589-V675 HydrophobicContact CG1-CG1 4.2Å; N666-V675 HydrophobicContact CB-CG2 3.65Å; F673-V675 HydrophobicContact CD2-CG2 4.05Å; F673-V675 HydrophobicContact CE2-CG2 3.84Å; V675-Y677 HydrophobicContact CB-CE2 4.43Å; V675-Y677 HydrophobicContact CG1-CD1 4.37Å; V675-Y677 HydrophobicContact CG1-CE1 3.63Å; V675-Y677 HydrophobicContact CG1-CE2 3.97Å; V675-Y677 VanDerWaalsContact CG1-OH 3.3Å; V675-Y677 WeakPolarHBondContact CG1-OH 3.3Å; V675-D707 PolarHBondContact N-OD2 3.31Å; V675-L711 WeakPolarHBondContact O-CD1 3.34Å
676	N	98.3	Very high	96.4	Very high	15 Å²	15	25.1 Å²	25.1	8%	0.08	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	159.5	170.6	-170.9	28.7	0	0	0	110.6	V586 V587 T588 I589 W682 L711	V586-N676 HydrophobicContact CG2-CB 3.86Å; V587-N676 PolarHBondContact O-N 2.79Å; T588-N676 CarbonylContact C-O 3.57Å; T588-N676 VanDerWaalsContact CA-O 3.3Å; T588-N676 WeakPolarHBondContact CA-O 3.33Å; T588-N676 HydrophobicContact CG2-CB 4.42Å; I589-N676 PolarHBondContact N-O 3.29Å; N676-W682 PolarHBondContact OD1-NE1 3.05Å; N676-W682 VanDerWaalsContact OD1-NE1 3.07Å; N676-L711 HydrophobicContact CB-CD1 3.83Å; N676-L711 HydrophobicContact CB-CD2 3.98Å
677	Y	97.3	Very high	96.3	Very high	8 Å²	8	28 Å²	28	3%	0.031	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	164.7	177.6	-45.6	-88.3	0	0	0	110.5	I589 L663 G665 V675 N681 W682 L685 L704	I589-Y677 HydrophobicContact CB-CD1 4.03Å; I589-Y677 HydrophobicContact CB-CE1 4.28Å; I589-Y677 HydrophobicContact CD1-CE1 4.12Å; I589-Y677 WeakPolarHBondContact O-CA 3.47Å; L663-Y677 WeakPolarHBondContact O-CE1 3.45Å; G665-Y677 PolarHBondContact N-OH 3.46Å; V675-Y677 HydrophobicContact CB-CE2 4.43Å; V675-Y677 HydrophobicContact CG1-CD1 4.37Å; V675-Y677 HydrophobicContact CG1-CE1 3.63Å; V675-Y677 HydrophobicContact CG1-CE2 3.97Å; V675-Y677 VanDerWaalsContact CG1-OH 3.3Å; V675-Y677 WeakPolarHBondContact CG1-OH 3.3Å; Y677-N681 WeakPolarHBondContact CD1-ND2 3.4Å; Y677-N681 HydrophobicContact CG-CB 4.46Å; Y677-N681 VanDerWaalsContact CG-ND2 3.27Å; Y677-W682 HydrophobicContact CD2-CD2 4.03Å; Y677-W682 AromaticContact CD2-CE2 3.63Å; Y677-W682 HydrophobicContact CD2-CE3 4.4Å; Y677-W682 HydrophobicContact CD2-CH2 4.07Å; Y677-W682 AromaticContact CD2-CZ2 3.66Å; Y677-W682 HydrophobicContact CD2-CZ2 3.66Å; Y677-W682 HydrophobicContact CD2-CZ3 4.43Å; Y677-W682 HydrophobicContact CE2-CH2 4.13Å; Y677-W682 HydrophobicContact CE2-CZ2 4.1Å; Y677-W682 PolarHBondContact O-NE1 2.99Å; Y677-L685 HydrophobicContact CD2-CD1 3.99Å; Y677-L685 HydrophobicContact CE2-CD1 3.84Å; Y677-L704 HydrophobicContact CE2-CD2 4.08Å
678	D	93.1	Very high	96.3	Very high	53 Å²	53	27.3 Å²	27.3	28%	0.283	14%	0.136	S	C	.	.			trans	-62.9	159.3	164.6	65.7	71.1	0	0	0	111.6	Q680 N681 W682	D678-Q680 PolarHBondContact O-N 3.35Å; D678-Q680 WeakPolarHBondContact OD1-CA 3.42Å; D678-Q680 WeakPolarHBondContact OD1-CB 3.26Å; D678-Q680 PolarHBondContact OD1-N 2.91Å; D678-N681 PolarHBondContact O-N 3.15Å; D678-N681 PolarHBondContact OD1-N 2.87Å; D678-W682 PolarHBondContact O-N 2.85Å
679	L	94.4	Very high	96.5	Very high	105 Å²	105	23.9 Å²	23.9	55%	0.55	12%	0.118	S	C	.	.	H	α-helix	trans	-61.5	-28.1	-176	-69.6	177.9	0	0	0	113.1	K683 L717 P718 V721	L679-K683 WeakPolarHBondContact O-CB 3.19Å; L679-K683 PolarHBondContact O-N 3.48Å; L679-L717 HydrophobicContact CD2-CD1 4.01Å; L679-P718 HydrophobicContact CD2-CG 4.27Å; L679-V721 HydrophobicContact CD2-CG2 4.29Å
680	Q	93.4	Very high	96.5	Very high	98 Å²	98	26.7 Å²	26.7	46%	0.458	13%	0.131	S	C	.	.	H	α-helix	trans	-71.5	-43.7	178.9	179.2	61.2	17.4	0	0	110.4	D678 K683 L684	D678-Q680 PolarHBondContact O-N 3.35Å; D678-Q680 WeakPolarHBondContact OD1-CA 3.42Å; D678-Q680 WeakPolarHBondContact OD1-CB 3.26Å; D678-Q680 PolarHBondContact OD1-N 2.91Å; Q680-K683 WeakPolarHBondContact O-CB 3.43Å; Q680-K683 PolarHBondContact O-N 3.49Å; Q680-L684 WeakPolarHBondContact O-CG 3.31Å; Q680-L684 PolarHBondContact O-N 2.93Å
681	N	95.4	Very high	96.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-65.3	-40.9	175.1	-166.3	73.9	0	0	0	112	W662 L663 Y677 D678 K683 L684 L685	W662-N681 WeakPolarHBondContact CA-OD1 3.48Å; L663-N681 PolarHBondContact N-OD1 2.82Å; L663-N681 PolarHBondContact O-ND2 3.2Å; Y677-N681 WeakPolarHBondContact CD1-ND2 3.4Å; Y677-N681 HydrophobicContact CG-CB 4.46Å; Y677-N681 VanDerWaalsContact CG-ND2 3.27Å; D678-N681 PolarHBondContact O-N 3.15Å; D678-N681 PolarHBondContact OD1-N 2.87Å; N681-K683 VanDerWaalsContact C-N 3.29Å; N681-K683 PolarHBondContact O-N 2.99Å; N681-L684 PolarHBondContact O-N 3.33Å; N681-L684 VanDerWaalsContact O-N 3.17Å; N681-L685 WeakPolarHBondContact O-CG 3.22Å; N681-L685 PolarHBondContact O-N 3.26Å
682	W	97.5	Very high	96.3	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-56.3	-43.8	171.3	-84	117.7	0	0	0	111.9	N676 Y677 D678 L684 L685 I686 L704 A708 L711 L717 V721	N676-W682 PolarHBondContact OD1-NE1 3.05Å; N676-W682 VanDerWaalsContact OD1-NE1 3.07Å; Y677-W682 HydrophobicContact CD2-CD2 4.03Å; Y677-W682 AromaticContact CD2-CE2 3.63Å; Y677-W682 HydrophobicContact CD2-CE3 4.4Å; Y677-W682 HydrophobicContact CD2-CH2 4.07Å; Y677-W682 AromaticContact CD2-CZ2 3.66Å; Y677-W682 HydrophobicContact CD2-CZ2 3.66Å; Y677-W682 HydrophobicContact CD2-CZ3 4.43Å; Y677-W682 HydrophobicContact CE2-CH2 4.13Å; Y677-W682 HydrophobicContact CE2-CZ2 4.1Å; Y677-W682 PolarHBondContact O-NE1 2.99Å; D678-W682 PolarHBondContact O-N 2.85Å; W682-L684 PolarHBondContact O-N 3.13Å; W682-L685 HydrophobicContact CE3-CD1 4.42Å; W682-L685 PolarHBondContact O-N 3.43Å; W682-I686 WeakPolarHBondContact O-CB 3.15Å; W682-I686 WeakPolarHBondContact O-CD1 3.42Å; W682-I686 WeakPolarHBondContact O-CG1 3.24Å; W682-I686 PolarHBondContact O-N 3.09Å; W682-L704 HydrophobicContact CH2-CD2 4.15Å; W682-L704 HydrophobicContact CZ3-CD2 3.88Å; W682-A708 HydrophobicContact CH2-CB 4Å; W682-A708 HydrophobicContact CZ3-CB 4.12Å; W682-L711 HydrophobicContact CZ2-CD1 3.8Å; W682-L717 HydrophobicContact CG-CD1 4.26Å; W682-L717 HydrophobicContact CZ2-CD2 4.38Å; W682-V721 HydrophobicContact CB-CG1 4.32Å; W682-V721 HydrophobicContact CG-CG1 4.42Å
683	K	96.4	Very high	96.1	Very high	90 Å²	90	33.1 Å²	33.1	39%	0.391	17%	0.168	S	C	.	.	H	α-helix	trans	-60.2	-43.1	176	-177.3	177.3	179.8	175	0	112	L679 Q680 N681 I686 Q687	L679-K683 WeakPolarHBondContact O-CB 3.19Å; L679-K683 PolarHBondContact O-N 3.48Å; Q680-K683 WeakPolarHBondContact O-CB 3.43Å; Q680-K683 PolarHBondContact O-N 3.49Å; N681-K683 VanDerWaalsContact C-N 3.29Å; N681-K683 PolarHBondContact O-N 2.99Å; K683-I686 PolarHBondContact O-N 2.73Å; K683-Q687 VanDerWaalsContact O-CG 3.28Å; K683-Q687 WeakPolarHBondContact O-CG 3.34Å; K683-Q687 PolarHBondContact O-N 3.02Å
684	L	95.6	Very high	95.9	Very high	14 Å²	14	38.4 Å²	38.4	7%	0.073	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-41.5	177.7	-65.9	171.1	0	0	0	112.2	T661 W662 Q680 N681 W682 Q687 Q688	T661-L684 WeakPolarHBondContact O-CD1 3.34Å; W662-L684 HydrophobicContact CB-CB 3.83Å; W662-L684 HydrophobicContact CB-CD1 4.5Å; Q680-L684 WeakPolarHBondContact O-CG 3.31Å; Q680-L684 PolarHBondContact O-N 2.93Å; N681-L684 PolarHBondContact O-N 3.33Å; N681-L684 VanDerWaalsContact O-N 3.17Å; W682-L684 PolarHBondContact O-N 3.13Å; L684-Q687 PolarHBondContact O-N 3.36Å; L684-Q688 PolarHBondContact O-N 3.46Å
685	L	97.4	Very high	95.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-42.3	175.2	-70.9	171.1	0	0	0	111.8	W662 Y677 N681 W682 Q688 L689 I696 L704	W662-L685 HydrophobicContact CB-CD2 4.01Å; W662-L685 HydrophobicContact CB-CG 4.27Å; W662-L685 HydrophobicContact CD2-CD2 3.91Å; W662-L685 HydrophobicContact CE3-CD2 3.72Å; W662-L685 HydrophobicContact CG-CD2 4.06Å; W662-L685 HydrophobicContact CZ3-CD2 4.43Å; Y677-L685 HydrophobicContact CD2-CD1 3.99Å; Y677-L685 HydrophobicContact CE2-CD1 3.84Å; N681-L685 WeakPolarHBondContact O-CG 3.22Å; N681-L685 PolarHBondContact O-N 3.26Å; W682-L685 HydrophobicContact CE3-CD1 4.42Å; W682-L685 PolarHBondContact O-N 3.43Å; L685-Q688 WeakPolarHBondContact O-CB 3.42Å; L685-Q688 PolarHBondContact O-N 3.24Å; L685-L689 WeakPolarHBondContact O-CG 3.41Å; L685-L689 PolarHBondContact O-N 3.13Å; L685-I696 HydrophobicContact CD2-CD1 4.14Å; L685-L704 HydrophobicContact CD1-CD2 3.93Å
686	I	97.5	Very high	95.5	Very high	16 Å²	16	41.2 Å²	41.2	8%	0.082	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-47.6	174.2	-68.1	164.8	0	0	0	109.9	W682 K683 Q688 L689 H690 V721 Q724 L725	W682-I686 WeakPolarHBondContact O-CB 3.15Å; W682-I686 WeakPolarHBondContact O-CD1 3.42Å; W682-I686 WeakPolarHBondContact O-CG1 3.24Å; W682-I686 PolarHBondContact O-N 3.09Å; K683-I686 PolarHBondContact O-N 2.73Å; I686-Q688 VanDerWaalsContact C-N 3.31Å; I686-Q688 PolarHBondContact O-N 2.99Å; I686-L689 PolarHBondContact O-N 3.1Å; I686-H690 PolarHBondContact O-CD2 3.07Å; I686-H690 VanDerWaalsContact O-CD2 3.26Å; I686-H690 PolarHBondContact O-N 2.84Å; I686-V721 HydrophobicContact CD1-CG1 3.87Å; I686-Q724 HydrophobicContact CD1-CB 4.27Å; I686-L725 HydrophobicContact CG1-CB 4.15Å; I686-L725 HydrophobicContact CG1-CD1 3.57Å; I686-L725 HydrophobicContact CG1-CG 4.48Å
687	Q	96.3	Very high	95.3	Very high	63 Å²	63	42.4 Å²	42.4	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-60	-40.6	176.8	-73.7	174.1	-4.1	0	0	112.1	K683 L684 L689 H690 N691	K683-Q687 VanDerWaalsContact O-CG 3.28Å; K683-Q687 WeakPolarHBondContact O-CG 3.34Å; K683-Q687 PolarHBondContact O-N 3.02Å; L684-Q687 PolarHBondContact O-N 3.36Å; Q687-L689 PolarHBondContact O-N 3.36Å; Q687-H690 PolarHBondContact O-N 3.01Å; Q687-N691 WeakPolarHBondContact O-CB 3.44Å; Q687-N691 PolarHBondContact O-N 3.4Å; Q687-N691 PolarHBondContact O-ND2 3.44Å
688	Q	96.2	Very high	95.3	Very high	5 Å²	5	43.9 Å²	43.9	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-45.3	175.4	-176	62.7	52.2	0	0	111.8	N633 V634 W662 L684 L685 I686 N691 S692 I696	N633-Q688 PolarHBondContact O-OE1 3.44Å; V634-Q688 PolarHBondContact O-NE2 3.3Å; W662-Q688 HydrophobicContact CZ2-CG 4.03Å; L684-Q688 PolarHBondContact O-N 3.46Å; L685-Q688 WeakPolarHBondContact O-CB 3.42Å; L685-Q688 PolarHBondContact O-N 3.24Å; I686-Q688 VanDerWaalsContact C-N 3.31Å; I686-Q688 PolarHBondContact O-N 2.99Å; Q688-N691 PolarHBondContact O-N 3.23Å; Q688-S692 PolarHBondContact NE2-O 3.48Å; Q688-S692 CarbonylContact O-C 3.59Å; Q688-S692 PolarHBondContact O-N 3.09Å; Q688-I696 HydrophobicContact CB-CD1 4.31Å; Q688-I696 HydrophobicContact CG-CD1 3.85Å; Q688-I696 HydrophobicContact CG-CG1 4.13Å
689	L	96.8	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-36.8	179.8	-69.4	174.1	0	0	0	112.9	L685 I686 Q687 P693 I696 R701 L704 L725 Y728	L685-L689 WeakPolarHBondContact O-CG 3.41Å; L685-L689 PolarHBondContact O-N 3.13Å; I686-L689 PolarHBondContact O-N 3.1Å; Q687-L689 PolarHBondContact O-N 3.36Å; L689-P693 HydrophobicContact CD2-CB 4.27Å; L689-P693 WeakPolarHBondContact O-CB 3.05Å; L689-P693 VanDerWaalsContact O-CD 3.29Å; L689-P693 WeakPolarHBondContact O-CD 3.3Å; L689-I696 HydrophobicContact CD2-CD1 4.04Å; L689-I696 HydrophobicContact CG-CD1 4.36Å; L689-R701 HydrophobicContact CD2-CG 3.78Å; L689-L704 HydrophobicContact CD1-CD1 4.45Å; L689-L725 HydrophobicContact CD1-CD1 3.49Å; L689-L725 VanDerWaalsContact CD1-CD1 3.49Å; L689-L725 HydrophobicContact CD1-CG 4.14Å; L689-Y728 HydrophobicContact CB-CD1 3.8Å; L689-Y728 HydrophobicContact CB-CD2 4.3Å; L689-Y728 HydrophobicContact CB-CE1 4.26Å; L689-Y728 HydrophobicContact CB-CG 3.85Å; L689-Y728 HydrophobicContact CD1-CD1 4.09Å; L689-Y728 HydrophobicContact CD1-CE1 3.91Å; L689-Y728 HydrophobicContact CD2-CE1 4.36Å; L689-Y728 HydrophobicContact CD2-CE2 4.48Å; L689-Y728 HydrophobicContact CG-CD1 4.43Å; L689-Y728 HydrophobicContact CG-CE1 4.42Å; L689-Y728 WeakPolarHBondContact O-CB 3.31Å
690	H	95.5	Very high	95.6	Very high	61 Å²	61	36.9 Å²	36.9	28%	0.282	19%	0.191	S	C	.	.	H	α-helix	trans	-70.9	-35.8	175.3	-83.9	-97.7	0	0	0	112.7	I686 Q687 Q724 G727 Y728	I686-H690 PolarHBondContact O-CD2 3.07Å; I686-H690 VanDerWaalsContact O-CD2 3.26Å; I686-H690 PolarHBondContact O-N 2.84Å; Q687-H690 PolarHBondContact O-N 3.01Å; H690-Q724 PolarHBondContact NE2-O 3.4Å; H690-G727 PolarHBondContact CE1-O 3.08Å; H690-Y728 PolarHBondContact CE1-N 2.97Å; H690-Y728 PolarHBondContact NE2-N 2.81Å
691	N	93.6	Very high	95.8	Very high	104 Å²	104	32.3 Å²	32.3	56%	0.556	17%	0.17	S	C	*	.	H	α-helix	trans	-86.8	-45.1	-176.1	-68.7	-21.9	0	0	0	113.3	Q687 Q688	Q687-N691 WeakPolarHBondContact O-CB 3.44Å; Q687-N691 PolarHBondContact O-N 3.4Å; Q687-N691 PolarHBondContact O-ND2 3.44Å; Q688-N691 PolarHBondContact O-N 3.23Å
692	S	94.1	Very high	95.9	Very high	47 Å²	47	32.3 Å²	32.3	33%	0.329	17%	0.17	S	C	.	.			trans	-157.8	74.9	-171.3	-71.7	0	0	0	0	110.2	Q688 Q694 I695	Q688-S692 PolarHBondContact NE2-O 3.48Å; Q688-S692 CarbonylContact O-C 3.59Å; Q688-S692 PolarHBondContact O-N 3.09Å; S692-Q694 PolarHBondContact O-N 3Å; S692-I695 PolarHBondContact O-N 3.13Å
693	P	94.4	Very high	95.9	Very high	12 Å²	12	32.4 Å²	32.4	8%	0.078	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-63.6	-27.3	-174.9	23.2	-31.3	0	0	0	112.7	L689 I695 I696 R701 Y728	L689-P693 HydrophobicContact CD2-CB 4.27Å; L689-P693 WeakPolarHBondContact O-CB 3.05Å; L689-P693 VanDerWaalsContact O-CD 3.29Å; L689-P693 WeakPolarHBondContact O-CD 3.3Å; P693-I695 PolarHBondContact O-N 3.13Å; P693-I695 VanDerWaalsContact O-N 3.13Å; P693-I696 PolarHBondContact O-N 3.5Å; P693-I696 VanDerWaalsContact O-N 3.1Å; P693-I696 VanDerWaalsContact O-O 3.1Å; P693-R701 WeakPolarHBondContact O-CD 3.41Å; P693-Y728 HydrophobicContact CB-CD2 3.96Å; P693-Y728 HydrophobicContact CB-CE2 3.91Å; P693-Y728 HydrophobicContact CG-CD2 4.32Å
694	Q	93.6	Very high	96	Very high	113 Å²	113	28.3 Å²	28.3	53%	0.528	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-66.9	-14.8	-176	-46.2	-56.2	-9.4	0	0	114.1	S692 I696	S692-Q694 PolarHBondContact O-N 3Å; Q694-I696 VanDerWaalsContact C-N 3.33Å
695	I	93.8	Very high	96.2	Very high	58 Å²	58	27.7 Å²	27.7	30%	0.297	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-68.6	-34.3	174.2	-61.9	-61.2	0	0	0	110.9	V637 W662 S692 P693	V637-I695 HydrophobicContact CG2-CG2 3.4Å; V637-I695 VanDerWaalsContact CG2-CG2 3.4Å; V637-I695 VanDerWaalsContact CG2-O 3.3Å; V637-I695 WeakPolarHBondContact CG2-O 3.45Å; W662-I695 HydrophobicContact CZ2-CG2 4.04Å; S692-I695 PolarHBondContact O-N 3.13Å; P693-I695 PolarHBondContact O-N 3.13Å; P693-I695 VanDerWaalsContact O-N 3.13Å
696	I	95.5	Very high	96.2	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.154	C	C	.	.	S	Bend	trans	-90.2	133	175.6	-62.4	175.8	0	0	0	108.4	W662 L664 L685 Q688 L689 P693 Q694 N700 R701 L704	W662-I696 HydrophobicContact CH2-CD1 4.45Å; W662-I696 HydrophobicContact CH2-CG1 3.89Å; W662-I696 HydrophobicContact CZ2-CG1 4.11Å; L664-I696 HydrophobicContact CD2-CG2 4.06Å; L685-I696 HydrophobicContact CD2-CD1 4.14Å; Q688-I696 HydrophobicContact CB-CD1 4.31Å; Q688-I696 HydrophobicContact CG-CD1 3.85Å; Q688-I696 HydrophobicContact CG-CG1 4.13Å; L689-I696 HydrophobicContact CD2-CD1 4.04Å; L689-I696 HydrophobicContact CG-CD1 4.36Å; P693-I696 PolarHBondContact O-N 3.5Å; P693-I696 VanDerWaalsContact O-N 3.1Å; P693-I696 VanDerWaalsContact O-O 3.1Å; Q694-I696 VanDerWaalsContact C-N 3.33Å; I696-N700 HydrophobicContact CG2-CB 3.57Å; I696-R701 HydrophobicContact CB-CG 3.98Å; I696-R701 HydrophobicContact CG2-CG 3.72Å; I696-R701 PolarHBondContact O-NH1 2.85Å; I696-L704 HydrophobicContact CD1-CD1 4.2Å; I696-L704 HydrophobicContact CG2-CD1 4.39Å
697	S	94.4	Very high	96.3	Very high	40 Å²	40	27.9 Å²	27.9	28%	0.28	15%	0.151	S	C	.	.			trans	-58.8	151.5	-179.1	83.6	0	0	0	0	111.9	N668 G699 N700 R701	N668-S697 WeakPolarHBondContact OD1-CB 3.48Å; N668-S697 PolarHBondContact OD1-OG 2.77Å; S697-G699 PolarHBondContact O-N 3.04Å; S697-N700 PolarHBondContact O-N 3.43Å; S697-N700 VanDerWaalsContact O-N 3.07Å; S697-N700 PolarHBondContact OG-N 3.47Å; S697-N700 PolarHBondContact OG-OD1 2.96Å; S697-R701 WeakPolarHBondContact O-CG 3.49Å; S697-R701 PolarHBondContact O-N 3.18Å
698	V	95.9	Very high	96.4	Very high	38 Å²	38	24.9 Å²	24.9	23%	0.23	14%	0.137	C	C	.	.	H	α-helix	trans	-54.2	-42.2	179.8	-178.3	0	0	0	0	111.7	R701 A702 L736 P737	V698-R701 PolarHBondContact O-N 2.88Å; V698-A702 PolarHBondContact O-N 3.04Å; V698-L736 HydrophobicContact CG1-CB 3.91Å; V698-L736 HydrophobicContact CG1-CD2 4.16Å; V698-P737 HydrophobicContact CG1-CG 4.15Å
699	G	96.2	Very high	96.4	Very high	6 Å²	6	25.7 Å²	25.7	6%	0.062	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-43.5	177.2	0	0	0	0	0	112.7	S697 A702 G703	S697-G699 PolarHBondContact O-N 3.04Å; G699-A702 PolarHBondContact O-N 3.28Å; G699-G703 PolarHBondContact O-N 2.95Å
700	N	97.3	Very high	96.4	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.032	14%	0.144	C	C	.	.	H	α-helix	trans	-69.6	-33.6	176.9	-76.8	107.7	0	0	0	113.1	L664 N666 N668 I696 S697 G703 L704	L664-N700 HydrophobicContact CD1-CB 4.42Å; L664-N700 HydrophobicContact CD2-CB 3.9Å; N666-N700 PolarHBondContact O-ND2 3.04Å; N668-N700 PolarHBondContact N-OD1 3.49Å; I696-N700 HydrophobicContact CG2-CB 3.57Å; S697-N700 PolarHBondContact O-N 3.43Å; S697-N700 VanDerWaalsContact O-N 3.07Å; S697-N700 PolarHBondContact OG-N 3.47Å; S697-N700 PolarHBondContact OG-OD1 2.96Å; N700-G703 PolarHBondContact O-N 3.47Å; N700-L704 WeakPolarHBondContact O-CB 3.42Å; N700-L704 VanDerWaalsContact O-CG 3.25Å; N700-L704 WeakPolarHBondContact O-CG 3.36Å; N700-L704 PolarHBondContact O-N 3.32Å
701	R	98.2	Very high	96.5	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-45.9	174.2	-64.4	-160.5	-57.7	-89.4	9.9	111.5	L689 P693 I696 S697 V698 G703 L704 I705 E732 S734 P737	L689-R701 HydrophobicContact CD2-CG 3.78Å; P693-R701 WeakPolarHBondContact O-CD 3.41Å; I696-R701 HydrophobicContact CB-CG 3.98Å; I696-R701 HydrophobicContact CG2-CG 3.72Å; I696-R701 PolarHBondContact O-NH1 2.85Å; S697-R701 WeakPolarHBondContact O-CG 3.49Å; S697-R701 PolarHBondContact O-N 3.18Å; V698-R701 PolarHBondContact O-N 2.88Å; R701-G703 VanDerWaalsContact C-N 3.34Å; R701-L704 PolarHBondContact O-N 3.47Å; R701-I705 WeakPolarHBondContact O-CG1 3.49Å; R701-I705 PolarHBondContact O-N 2.93Å; R701-E732 IonicContact CZ-OE1 3.34Å; R701-E732 IonicContact CZ-OE2 3.07Å; R701-E732 IonicContact NE-OE1 3.72Å; R701-E732 IonicContact NE-OE2 3.06Å; R701-E732 PolarHBondContact NE-OE2 2.7Å; R701-E732 IonicContact NH2-OE1 3.77Å; R701-E732 PolarHBondContact NH2-OE1 3Å; R701-E732 IonicContact NH2-OE2 3.66Å; R701-E732 PolarHBondContact NH2-OE2 3Å; R701-S734 PolarHBondContact NH2-OG 3.23Å; R701-S734 VanDerWaalsContact NH2-OG 3.1Å; R701-P737 HydrophobicContact CB-CB 4.18Å; R701-P737 HydrophobicContact CB-CG 3.81Å
702	A	98.1	Very high	96.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.3	-42.1	174.3	0	0	0	0	0	112	V698 G699 I705 D706 L736 P737 A740	V698-A702 PolarHBondContact O-N 3.04Å; G699-A702 PolarHBondContact O-N 3.28Å; A702-I705 PolarHBondContact O-N 3.41Å; A702-D706 PolarHBondContact O-N 3.19Å; A702-L736 HydrophobicContact CB-CD2 3.99Å; A702-L736 HydrophobicContact CB-CG 3.66Å; A702-P737 HydrophobicContact CB-CG 4.45Å; A702-A740 HydrophobicContact CB-CB 3.95Å
703	G	97.9	Very high	96.4	Very high	3 Å²	3	18.5 Å²	18.5	3%	0.031	10%	0.097	C	C	.	.	H	α-helix	trans	-62.9	-41.6	177	0	0	0	0	0	114.9	G699 N700 R701 I705 D706 D707	G699-G703 PolarHBondContact O-N 2.95Å; N700-G703 PolarHBondContact O-N 3.47Å; R701-G703 VanDerWaalsContact C-N 3.34Å; G703-I705 VanDerWaalsContact C-N 3.28Å; G703-I705 PolarHBondContact O-N 2.93Å; G703-D706 PolarHBondContact O-N 3.27Å; G703-D707 WeakPolarHBondContact O-CB 3.31Å; G703-D707 PolarHBondContact O-N 2.89Å
704	L	98.7	Very high	96.3	Very high	5 Å²	5	18 Å²	18	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-61.6	-38.8	175.1	-72.4	169.5	0	0	0	111.5	L664 Y677 W682 L685 L689 I696 N700 R701 A708 L725	L664-L704 HydrophobicContact CD1-CD1 4.1Å; L664-L704 HydrophobicContact CD1-CD2 3.92Å; L664-L704 HydrophobicContact CD1-CG 4.17Å; Y677-L704 HydrophobicContact CE2-CD2 4.08Å; W682-L704 HydrophobicContact CH2-CD2 4.15Å; W682-L704 HydrophobicContact CZ3-CD2 3.88Å; L685-L704 HydrophobicContact CD1-CD2 3.93Å; L689-L704 HydrophobicContact CD1-CD1 4.45Å; I696-L704 HydrophobicContact CD1-CD1 4.2Å; I696-L704 HydrophobicContact CG2-CD1 4.39Å; N700-L704 WeakPolarHBondContact O-CB 3.42Å; N700-L704 VanDerWaalsContact O-CG 3.25Å; N700-L704 WeakPolarHBondContact O-CG 3.36Å; N700-L704 PolarHBondContact O-N 3.32Å; R701-L704 PolarHBondContact O-N 3.47Å; L704-A708 WeakPolarHBondContact O-CB 3.37Å; L704-A708 PolarHBondContact O-N 2.97Å; L704-L725 HydrophobicContact CB-CD2 4.36Å; L704-L725 WeakPolarHBondContact O-CD2 3.43Å
705	I	98.6	Very high	96.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.8	-53.3	176	-65.5	167.2	0	0	0	109.7	R701 A702 G703 D707 A708 F709 L725 I726 Y728 L729 P737 A740 A741	R701-I705 WeakPolarHBondContact O-CG1 3.49Å; R701-I705 PolarHBondContact O-N 2.93Å; A702-I705 PolarHBondContact O-N 3.41Å; G703-I705 VanDerWaalsContact C-N 3.28Å; G703-I705 PolarHBondContact O-N 2.93Å; I705-D707 PolarHBondContact O-N 3.33Å; I705-A708 PolarHBondContact O-N 3.04Å; I705-F709 HydrophobicContact CG2-CD2 4.01Å; I705-F709 HydrophobicContact CG2-CE2 4.09Å; I705-F709 WeakPolarHBondContact O-CD2 3.46Å; I705-F709 PolarHBondContact O-N 2.95Å; I705-L725 HydrophobicContact CG1-CD2 4.11Å; I705-I726 HydrophobicContact CD1-CG2 4.48Å; I705-I726 HydrophobicContact CG1-CG2 4.18Å; I705-I726 HydrophobicContact CG2-CG2 4.04Å; I705-Y728 HydrophobicContact CD1-CE1 4.31Å; I705-L729 HydrophobicContact CD1-CD2 4.45Å; I705-P737 HydrophobicContact CD1-CB 3.94Å; I705-P737 WeakPolarHBondContact CD1-O 3.18Å; I705-A740 HydrophobicContact CB-CB 4.34Å; I705-A740 HydrophobicContact CG2-CB 4.26Å; I705-A741 HydrophobicContact CD1-CB 4.46Å; I705-A741 HydrophobicContact CG2-CB 4.12Å
706	D	98.4	Very high	96	Very high	14 Å²	14	13.2 Å²	13.2	8%	0.075	8%	0.077	C	C	.	.	H	α-helix	trans	-59.2	-47.6	-179.6	-175.2	61.9	0	0	0	112.1	H481 R674 A702 G703 N710	H481-D706 IonicContact CD2-OD2 2.73Å; H481-D706 PolarHBondContact CD2-OD2 2.84Å; H481-D706 VanDerWaalsContact CG-CG 3.42Å; H481-D706 IonicContact CG-OD1 3.74Å; H481-D706 IonicContact CG-OD2 2.83Å; R674-D706 IonicContact CZ-OD2 2.68Å; R674-D706 IonicContact NH1-OD2 3.25Å; R674-D706 PolarHBondContact NH1-OD2 3.19Å; R674-D706 IonicContact NH2-OD2 3Å; R674-D706 PolarHBondContact NH2-OD2 3.31Å; R674-D706 VanDerWaalsContact NH2-OD2 3.16Å; A702-D706 PolarHBondContact O-N 3.19Å; G703-D706 PolarHBondContact O-N 3.27Å; D706-N710 WeakPolarHBondContact O-CB 3.23Å; D706-N710 PolarHBondContact O-N 2.82Å; D706-N710 VanDerWaalsContact O-N 3.11Å; D706-N710 PolarHBondContact O-ND2 3.12Å; D706-N710 PolarHBondContact OD1-ND2 2.79Å
707	D	98.6	Very high	95.9	Very high	7 Å²	7	13.5 Å²	13.5	4%	0.037	8%	0.078	C	C	.	.	H	α-helix	trans	-63.1	-47.3	178.6	-79.2	-9.1	0	0	0	111.6	R674 V675 G703 I705 F709 N710 L711	R674-D707 WeakPolarHBondContact CB-OD1 3.49Å; R674-D707 VanDerWaalsContact CG-OD1 3.26Å; R674-D707 WeakPolarHBondContact CG-OD1 3.45Å; R674-D707 IonicContact CZ-OD1 2.96Å; R674-D707 IonicContact NH1-OD1 2.82Å; R674-D707 PolarHBondContact NH1-OD1 2.9Å; V675-D707 PolarHBondContact N-OD2 3.31Å; G703-D707 WeakPolarHBondContact O-CB 3.31Å; G703-D707 PolarHBondContact O-N 2.89Å; I705-D707 PolarHBondContact O-N 3.33Å; D707-F709 VanDerWaalsContact C-N 3.35Å; D707-F709 PolarHBondContact O-N 2.96Å; D707-N710 PolarHBondContact O-N 2.76Å; D707-L711 HydrophobicContact CB-CD1 4.2Å; D707-L711 WeakPolarHBondContact O-CB 3.47Å; D707-L711 WeakPolarHBondContact O-CD1 3.42Å; D707-L711 WeakPolarHBondContact O-CG 3.38Å; D707-L711 PolarHBondContact O-N 2.88Å
708	A	98.4	Very high	95.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.7	-41.5	-177.5	0	0	0	0	0	112.7	W682 L704 I705 A712 L717 P722 L725	W682-A708 HydrophobicContact CH2-CB 4Å; W682-A708 HydrophobicContact CZ3-CB 4.12Å; L704-A708 WeakPolarHBondContact O-CB 3.37Å; L704-A708 PolarHBondContact O-N 2.97Å; I705-A708 PolarHBondContact O-N 3.04Å; A708-A712 VanDerWaalsContact O-CB 3.23Å; A708-A712 WeakPolarHBondContact O-CB 3.41Å; A708-A712 PolarHBondContact O-N 3.33Å; A708-L717 HydrophobicContact CB-CD2 4.1Å; A708-P722 HydrophobicContact CB-CB 4.02Å; A708-L725 HydrophobicContact CB-CD2 3.73Å
709	F	97.4	Very high	95.5	Very high	22 Å²	22	14.3 Å²	14.3	10%	0.096	8%	0.081	C	C	.	.	H	α-helix	trans	-69.2	-41	177.5	-84.8	-81.1	0	0	0	112.2	I705 D707 A712 R713 P722 L723 I726 A744 L748	I705-F709 HydrophobicContact CG2-CD2 4.01Å; I705-F709 HydrophobicContact CG2-CE2 4.09Å; I705-F709 WeakPolarHBondContact O-CD2 3.46Å; I705-F709 PolarHBondContact O-N 2.95Å; D707-F709 VanDerWaalsContact C-N 3.35Å; D707-F709 PolarHBondContact O-N 2.96Å; F709-A712 PolarHBondContact O-N 2.83Å; F709-R713 WeakPolarHBondContact O-CB 3.27Å; F709-R713 PolarHBondContact O-N 3.08Å; F709-P722 HydrophobicContact CD1-CB 3.91Å; F709-P722 HydrophobicContact CD1-CG 4.34Å; F709-P722 HydrophobicContact CD2-CB 3.91Å; F709-P722 HydrophobicContact CE1-CB 3.95Å; F709-P722 HydrophobicContact CE1-CG 4.44Å; F709-P722 HydrophobicContact CE2-CB 3.95Å; F709-P722 HydrophobicContact CG-CB 3.89Å; F709-P722 HydrophobicContact CZ-CB 3.97Å; F709-L723 HydrophobicContact CE1-CD2 4.27Å; F709-L723 HydrophobicContact CZ-CD2 4.35Å; F709-I726 HydrophobicContact CE2-CD1 4.4Å; F709-I726 HydrophobicContact CE2-CG2 3.68Å; F709-I726 HydrophobicContact CZ-CD1 3.9Å; F709-I726 HydrophobicContact CZ-CG1 4.38Å; F709-I726 HydrophobicContact CZ-CG2 4.26Å; F709-A744 HydrophobicContact CB-CB 4.06Å; F709-A744 HydrophobicContact CD1-CB 3.95Å; F709-A744 HydrophobicContact CD2-CB 3.6Å; F709-A744 HydrophobicContact CE1-CB 4.3Å; F709-A744 HydrophobicContact CE2-CB 3.98Å; F709-A744 HydrophobicContact CG-CB 3.6Å; F709-A744 HydrophobicContact CZ-CB 4.32Å; F709-L748 HydrophobicContact CD1-CD1 4.31Å; F709-L748 HydrophobicContact CE1-CD1 3.77Å
710	N	96.8	Very high	95.3	Very high	11 Å²	11	14.7 Å²	14.7	6%	0.059	9%	0.085	C	C	.	.	H	α-helix	trans	-74	-38.2	-179.5	-74.8	-64.9	0	0	0	112.7	L485 F609 Y611 R674 D706 D707 A712 R713 A714	L485-N710 VanDerWaalsContact CD2-OD1 3.22Å; L485-N710 WeakPolarHBondContact CD2-OD1 3.35Å; F609-N710 HydrophobicContact CZ-CB 4.24Å; Y611-N710 HydrophobicContact CE1-CB 4.25Å; Y611-N710 PolarHBondContact OH-OD1 2.88Å; R674-N710 PolarHBondContact NH2-ND2 2.73Å; D706-N710 WeakPolarHBondContact O-CB 3.23Å; D706-N710 PolarHBondContact O-N 2.82Å; D706-N710 VanDerWaalsContact O-N 3.11Å; D706-N710 PolarHBondContact O-ND2 3.12Å; D706-N710 PolarHBondContact OD1-ND2 2.79Å; D707-N710 PolarHBondContact O-N 2.76Å; N710-A712 VanDerWaalsContact C-N 3.32Å; N710-R713 PolarHBondContact O-N 3.34Å; N710-A714 VanDerWaalsContact O-CB 3.25Å; N710-A714 WeakPolarHBondContact O-CB 3.06Å; N710-A714 PolarHBondContact O-N 3.49Å
711	L	96.9	Very high	95.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.4	-41.8	170.8	-70.6	168.1	0	0	0	111	V586 F609 V675 N676 W682 D707 A714 G715 Y716 L717	V586-L711 HydrophobicContact CG2-CD2 3.69Å; F609-L711 HydrophobicContact CE2-CD2 4.14Å; V675-L711 WeakPolarHBondContact O-CD1 3.34Å; N676-L711 HydrophobicContact CB-CD1 3.83Å; N676-L711 HydrophobicContact CB-CD2 3.98Å; W682-L711 HydrophobicContact CZ2-CD1 3.8Å; D707-L711 HydrophobicContact CB-CD1 4.2Å; D707-L711 WeakPolarHBondContact O-CB 3.47Å; D707-L711 WeakPolarHBondContact O-CD1 3.42Å; D707-L711 WeakPolarHBondContact O-CG 3.38Å; D707-L711 PolarHBondContact O-N 2.88Å; L711-A714 CarbonylContact O-C 3.41Å; L711-A714 PolarHBondContact O-N 2.98Å; L711-G715 PolarHBondContact O-N 3.28Å; L711-Y716 HydrophobicContact CD2-CD2 3.85Å; L711-Y716 HydrophobicContact CD2-CG 4.01Å; L711-Y716 PolarHBondContact O-N 2.93Å; L711-L717 HydrophobicContact CB-CB 4.03Å; L711-L717 PolarHBondContact O-N 3.31Å
712	A	94.4	Very high	95.1	Very high	1 Å²	1	15 Å²	15	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-66.6	-44.9	175.1	0	0	0	0	0	112	A708 F709 N710 A714 G715 L717 Q719 P722	A708-A712 VanDerWaalsContact O-CB 3.23Å; A708-A712 WeakPolarHBondContact O-CB 3.41Å; A708-A712 PolarHBondContact O-N 3.33Å; F709-A712 PolarHBondContact O-N 2.83Å; N710-A712 VanDerWaalsContact C-N 3.32Å; A712-A714 PolarHBondContact O-N 3.05Å; A712-G715 PolarHBondContact O-N 3Å; A712-L717 VanDerWaalsContact CA-O 3.31Å; A712-L717 WeakPolarHBondContact CA-O 3.11Å; A712-L717 HydrophobicContact CB-CB 4.28Å; A712-Q719 PolarHBondContact O-NE2 2.88Å; A712-P722 HydrophobicContact CB-CG 3.76Å
713	R	91.3	Very high	94.8	Very high	49 Å²	49	15.1 Å²	15.1	19%	0.185	9%	0.088	C	C	.	.	H	α-helix	trans	-56.8	-38	175.4	-178.3	178.4	178.6	179.7	3.9	112	Y611 F709 N710 G715	Y611-R713 HydrophobicContact CD1-CB 4.22Å; Y611-R713 HydrophobicContact CD1-CG 3.79Å; Y611-R713 HydrophobicContact CE1-CB 4.17Å; Y611-R713 HydrophobicContact CE1-CG 4.01Å; F709-R713 WeakPolarHBondContact O-CB 3.27Å; F709-R713 PolarHBondContact O-N 3.08Å; N710-R713 PolarHBondContact O-N 3.34Å; R713-G715 VanDerWaalsContact C-N 3.34Å
714	A	91.4	Very high	94.7	Very high	2 Å²	2	18 Å²	18	2%	0.017	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.4	177.6	0	0	0	0	0	112.7	F609 Y611 R616 N710 L711 A712 Y716	F609-A714 HydrophobicContact CE2-CB 3.82Å; F609-A714 HydrophobicContact CZ-CB 3.79Å; Y611-A714 HydrophobicContact CD1-CB 4.04Å; R616-A714 PolarHBondContact NH1-O 2.84Å; R616-A714 PolarHBondContact NH2-O 2.94Å; N710-A714 VanDerWaalsContact O-CB 3.25Å; N710-A714 WeakPolarHBondContact O-CB 3.06Å; N710-A714 PolarHBondContact O-N 3.49Å; L711-A714 CarbonylContact O-C 3.41Å; L711-A714 PolarHBondContact O-N 2.98Å; A712-A714 PolarHBondContact O-N 3.05Å; A714-Y716 HydrophobicContact CB-CD2 3.71Å; A714-Y716 HydrophobicContact CB-CE2 3.96Å
715	G	89.8	Confident	94.6	Very high	29 Å²	29	17.7 Å²	17.7	30%	0.299	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	5.8	-179.9	0	0	0	0	0	115.5	L711 A712 R713 L717	L711-G715 PolarHBondContact O-N 3.28Å; A712-G715 PolarHBondContact O-N 3Å; R713-G715 VanDerWaalsContact C-N 3.34Å; G715-L717 VanDerWaalsContact C-N 3.27Å
716	Y	91.6	Very high	94.5	Very high	41 Å²	41	17.7 Å²	17.7	16%	0.161	10%	0.099	C	C	.	.	S	Bend	trans	-71.3	-24.4	170.7	-69.1	-71.6	0	0	0	112.9	V586 E607 F609 R616 L711 A714	V586-Y716 HydrophobicContact CG1-CE1 4.35Å; V586-Y716 HydrophobicContact CG1-CE2 4.3Å; E607-Y716 WeakPolarHBondContact OE1-CE1 3.31Å; F609-Y716 HydrophobicContact CD2-CD2 4.17Å; F609-Y716 AromaticContact CD2-CE2 3.66Å; F609-Y716 HydrophobicContact CD2-CE2 3.66Å; F609-Y716 AromaticContact CE2-CD2 3.93Å; F609-Y716 HydrophobicContact CE2-CD2 3.93Å; F609-Y716 AromaticContact CE2-CE2 3.81Å; F609-Y716 HydrophobicContact CE2-CE2 3.81Å; R616-Y716 VanDerWaalsContact CZ-CE2 3.41Å; R616-Y716 PolarHBondContact NE-OH 3.44Å; R616-Y716 VanDerWaalsContact NE-OH 3.15Å; L711-Y716 HydrophobicContact CD2-CD2 3.85Å; L711-Y716 HydrophobicContact CD2-CG 4.01Å; L711-Y716 PolarHBondContact O-N 2.93Å; A714-Y716 HydrophobicContact CB-CD2 3.71Å; A714-Y716 HydrophobicContact CB-CE2 3.96Å
717	L	93.4	Very high	94.3	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.037	11%	0.107	C	C	.	.	S	Bend	trans	-132.3	141.5	-174.7	-165.4	66.4	0	0	0	110.8	L679 W682 A708 L711 A712 G715 V721	L679-L717 HydrophobicContact CD2-CD1 4.01Å; W682-L717 HydrophobicContact CG-CD1 4.26Å; W682-L717 HydrophobicContact CZ2-CD2 4.38Å; A708-L717 HydrophobicContact CB-CD2 4.1Å; L711-L717 HydrophobicContact CB-CB 4.03Å; L711-L717 PolarHBondContact O-N 3.31Å; A712-L717 VanDerWaalsContact CA-O 3.31Å; A712-L717 WeakPolarHBondContact CA-O 3.11Å; A712-L717 HydrophobicContact CB-CB 4.28Å; G715-L717 VanDerWaalsContact C-N 3.27Å; L717-V721 HydrophobicContact CD1-CB 4.16Å; L717-V721 HydrophobicContact CD1-CG1 4.11Å; L717-V721 HydrophobicContact CD1-CG2 4.05Å; L717-V721 HydrophobicContact CD2-CB 3.78Å; L717-V721 HydrophobicContact CD2-CG1 3.7Å; L717-V721 HydrophobicContact CG-CB 3.79Å; L717-V721 HydrophobicContact CG-CG1 4.07Å; L717-V721 HydrophobicContact CG-CG2 4.04Å
718	P	92.3	Very high	94.2	Very high	70 Å²	70	18 Å²	18	46%	0.455	11%	0.106	S	C	.	.			trans	-62.1	139.5	173.8	-21.8	32.8	0	0	0	111.8	L679 G720 V721 P722	L679-P718 HydrophobicContact CD2-CG 4.27Å; P718-G720 PolarHBondContact O-N 2.9Å; P718-V721 HydrophobicContact CB-CG2 4.22Å; P718-V721 HydrophobicContact CG-CG2 4.32Å; P718-V721 PolarHBondContact O-N 3.09Å; P718-P722 WeakPolarHBondContact O-CD 3.29Å
719	Q	89.4	Confident	94.1	Very high	25 Å²	25	18 Å²	18	12%	0.117	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-23.9	-176.8	-60.1	-60.6	-34.9	0	0	114.7	A712 P722 H996	A712-Q719 PolarHBondContact O-NE2 2.88Å; Q719-P722 WeakPolarHBondContact O-CD 3.45Å; Q719-P722 WeakPolarHBondContact O-CG 3.3Å; Q719-H996 HydrophobicContact CG-CB 4.06Å; Q719-H996 PolarHBondContact NE2-ND1 3.46Å
720	G	91.8	Very high	94	Very high	14 Å²	14	18.3 Å²	18.3	14%	0.144	11%	0.11	C	C	.	.	H	α-helix	trans	-75.9	-24.6	178.7	0	0	0	0	0	114.4	P718 L723 Q724 W1003	P718-G720 PolarHBondContact O-N 2.9Å; G720-L723 PolarHBondContact O-N 3.03Å; G720-Q724 VanDerWaalsContact O-CG 3.29Å; G720-Q724 WeakPolarHBondContact O-CG 3.47Å; G720-Q724 PolarHBondContact O-N 2.95Å; G720-W1003 VanDerWaalsContact CA-CD1 3.5Å
721	V	95.3	Very high	93.8	Very high	15 Å²	15	23.8 Å²	23.8	9%	0.091	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-50.9	-177.7	-176.5	0	0	0	0	112.3	L679 W682 I686 L717 P718 L723 Q724 L725	L679-V721 HydrophobicContact CD2-CG2 4.29Å; W682-V721 HydrophobicContact CB-CG1 4.32Å; W682-V721 HydrophobicContact CG-CG1 4.42Å; I686-V721 HydrophobicContact CD1-CG1 3.87Å; L717-V721 HydrophobicContact CD1-CB 4.16Å; L717-V721 HydrophobicContact CD1-CG1 4.11Å; L717-V721 HydrophobicContact CD1-CG2 4.05Å; L717-V721 HydrophobicContact CD2-CB 3.78Å; L717-V721 HydrophobicContact CD2-CG1 3.7Å; L717-V721 HydrophobicContact CG-CB 3.79Å; L717-V721 HydrophobicContact CG-CG1 4.07Å; L717-V721 HydrophobicContact CG-CG2 4.04Å; P718-V721 HydrophobicContact CB-CG2 4.22Å; P718-V721 HydrophobicContact CG-CG2 4.32Å; P718-V721 PolarHBondContact O-N 3.09Å; V721-L723 VanDerWaalsContact C-N 3.26Å; V721-L723 PolarHBondContact O-N 3.36Å; V721-Q724 WeakPolarHBondContact O-CB 3.45Å; V721-Q724 PolarHBondContact O-N 3.18Å; V721-Q724 VanDerWaalsContact O-N 3.12Å; V721-L725 PolarHBondContact O-N 3.41Å
722	P	95.9	Very high	93.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-34.3	177.7	23.1	-34.3	0	0	0	112.7	A708 F709 A712 P718 Q719 L725 I726	A708-P722 HydrophobicContact CB-CB 4.02Å; F709-P722 HydrophobicContact CD1-CB 3.91Å; F709-P722 HydrophobicContact CD1-CG 4.34Å; F709-P722 HydrophobicContact CD2-CB 3.91Å; F709-P722 HydrophobicContact CE1-CB 3.95Å; F709-P722 HydrophobicContact CE1-CG 4.44Å; F709-P722 HydrophobicContact CE2-CB 3.95Å; F709-P722 HydrophobicContact CG-CB 3.89Å; F709-P722 HydrophobicContact CZ-CB 3.97Å; A712-P722 HydrophobicContact CB-CG 3.76Å; P718-P722 WeakPolarHBondContact O-CD 3.29Å; Q719-P722 WeakPolarHBondContact O-CD 3.45Å; Q719-P722 WeakPolarHBondContact O-CG 3.3Å; P722-L725 WeakPolarHBondContact O-CB 3.16Å; P722-L725 PolarHBondContact O-N 2.77Å; P722-I726 WeakPolarHBondContact O-CG1 3.2Å; P722-I726 PolarHBondContact O-N 3.12Å
723	L	93.6	Very high	93.7	Very high	2 Å²	2	27 Å²	27	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-70.9	-30.5	176.7	-59	176.9	0	0	0	113.1	F709 G720 V721 Y764 F1000 W1003	F709-L723 HydrophobicContact CE1-CD2 4.27Å; F709-L723 HydrophobicContact CZ-CD2 4.35Å; G720-L723 PolarHBondContact O-N 3.03Å; V721-L723 VanDerWaalsContact C-N 3.26Å; V721-L723 PolarHBondContact O-N 3.36Å; L723-Y764 HydrophobicContact CD2-CE1 4.27Å; L723-Y764 PolarHBondContact O-OH 3.19Å; L723-F1000 HydrophobicContact CD1-CD2 3.97Å; L723-F1000 HydrophobicContact CD1-CE2 3.68Å; L723-F1000 HydrophobicContact CD1-CZ 4.33Å; L723-F1000 HydrophobicContact CD2-CE2 4.01Å; L723-F1000 HydrophobicContact CD2-CZ 4.46Å; L723-F1000 HydrophobicContact CG-CE2 4.3Å; L723-W1003 HydrophobicContact CB-CD2 4.18Å; L723-W1003 HydrophobicContact CB-CE3 3.9Å; L723-W1003 HydrophobicContact CB-CH2 3.39Å; L723-W1003 HydrophobicContact CB-CZ2 3.67Å; L723-W1003 HydrophobicContact CB-CZ3 3.5Å; L723-W1003 HydrophobicContact CD1-CD2 3.77Å; L723-W1003 HydrophobicContact CD1-CE3 3.31Å; L723-W1003 HydrophobicContact CD1-CG 4.38Å; L723-W1003 HydrophobicContact CD1-CH2 4.39Å; L723-W1003 HydrophobicContact CD1-CZ3 3.67Å; L723-W1003 HydrophobicContact CG-CE3 4.25Å; L723-W1003 HydrophobicContact CG-CZ3 4.17Å
724	Q	94.1	Very high	93.8	Very high	62 Å²	62	25.6 Å²	25.6	29%	0.29	15%	0.153	S	C	.	.	H	α-helix	trans	-72	-40.9	170.5	-72.8	172.7	-4.8	0	0	111.2	I686 H690 G720 V721 G727 W1003 T1011	I686-Q724 HydrophobicContact CD1-CB 4.27Å; H690-Q724 PolarHBondContact NE2-O 3.4Å; G720-Q724 VanDerWaalsContact O-CG 3.29Å; G720-Q724 WeakPolarHBondContact O-CG 3.47Å; G720-Q724 PolarHBondContact O-N 2.95Å; V721-Q724 WeakPolarHBondContact O-CB 3.45Å; V721-Q724 PolarHBondContact O-N 3.18Å; V721-Q724 VanDerWaalsContact O-N 3.12Å; Q724-G727 PolarHBondContact O-N 2.93Å; Q724-G727 VanDerWaalsContact O-N 3.15Å; Q724-W1003 HydrophobicContact CG-CZ2 3.74Å; Q724-T1011 HydrophobicContact CG-CG2 4.26Å
725	L	97	Very high	94	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-54.6	-58.6	177.3	-173.2	80.8	0	0	0	109.9	I686 L689 L704 I705 A708 V721 P722 G727 Y728	I686-L725 HydrophobicContact CG1-CB 4.15Å; I686-L725 HydrophobicContact CG1-CD1 3.57Å; I686-L725 HydrophobicContact CG1-CG 4.48Å; L689-L725 HydrophobicContact CD1-CD1 3.49Å; L689-L725 VanDerWaalsContact CD1-CD1 3.49Å; L689-L725 HydrophobicContact CD1-CG 4.14Å; L704-L725 HydrophobicContact CB-CD2 4.36Å; L704-L725 WeakPolarHBondContact O-CD2 3.43Å; I705-L725 HydrophobicContact CG1-CD2 4.11Å; A708-L725 HydrophobicContact CB-CD2 3.73Å; V721-L725 PolarHBondContact O-N 3.41Å; P722-L725 WeakPolarHBondContact O-CB 3.16Å; P722-L725 PolarHBondContact O-N 2.77Å; L725-G727 PolarHBondContact O-N 2.73Å; L725-Y728 VanDerWaalsContact O-CD1 3.25Å; L725-Y728 WeakPolarHBondContact O-CD1 3.46Å
726	I	96.4	Very high	94.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-68.8	-0.8	-178.3	63.2	163.7	0	0	0	114.9	I705 F709 P722 Y728 L729 A741 L745 Y764	I705-I726 HydrophobicContact CD1-CG2 4.48Å; I705-I726 HydrophobicContact CG1-CG2 4.18Å; I705-I726 HydrophobicContact CG2-CG2 4.04Å; F709-I726 HydrophobicContact CE2-CD1 4.4Å; F709-I726 HydrophobicContact CE2-CG2 3.68Å; F709-I726 HydrophobicContact CZ-CD1 3.9Å; F709-I726 HydrophobicContact CZ-CG1 4.38Å; F709-I726 HydrophobicContact CZ-CG2 4.26Å; P722-I726 WeakPolarHBondContact O-CG1 3.2Å; P722-I726 PolarHBondContact O-N 3.12Å; I726-Y728 PolarHBondContact O-N 2.73Å; I726-Y728 VanDerWaalsContact O-N 3.12Å; I726-L729 HydrophobicContact CB-CD1 3.79Å; I726-L729 HydrophobicContact CB-CG 4.11Å; I726-L729 HydrophobicContact CG2-CD1 4.28Å; I726-L729 WeakPolarHBondContact O-CB 3.02Å; I726-L729 VanDerWaalsContact O-CG 3.25Å; I726-L729 WeakPolarHBondContact O-CG 3.29Å; I726-L729 PolarHBondContact O-N 3.38Å; I726-L729 VanDerWaalsContact O-N 3.1Å; I726-A741 HydrophobicContact CG2-CB 4.39Å; I726-L745 HydrophobicContact CD1-CD2 4.09Å; I726-Y764 HydrophobicContact CD1-CE1 3.93Å; I726-Y764 WeakPolarHBondContact CD1-OH 3.43Å; I726-Y764 WeakPolarHBondContact CG1-OH 3.31Å
727	G	95.1	Very high	94.5	Very high	23 Å²	23	22.4 Å²	22.4	24%	0.237	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-62.1	-15.4	174.9	0	0	0	0	0	114.3	H690 Q724 L725 P730	H690-G727 PolarHBondContact CE1-O 3.08Å; Q724-G727 PolarHBondContact O-N 2.93Å; Q724-G727 VanDerWaalsContact O-N 3.15Å; L725-G727 PolarHBondContact O-N 2.73Å; G727-P730 WeakPolarHBondContact O-CD 3.38Å
728	Y	96.3	Very high	94.7	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.016	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-82.5	-13	176	90	-83.9	0	0	0	113.5	L689 H690 P693 I705 L725 I726 P730 E731 E732 P737	L689-Y728 HydrophobicContact CB-CD1 3.8Å; L689-Y728 HydrophobicContact CB-CD2 4.3Å; L689-Y728 HydrophobicContact CB-CE1 4.26Å; L689-Y728 HydrophobicContact CB-CG 3.85Å; L689-Y728 HydrophobicContact CD1-CD1 4.09Å; L689-Y728 HydrophobicContact CD1-CE1 3.91Å; L689-Y728 HydrophobicContact CD2-CE1 4.36Å; L689-Y728 HydrophobicContact CD2-CE2 4.48Å; L689-Y728 HydrophobicContact CG-CD1 4.43Å; L689-Y728 HydrophobicContact CG-CE1 4.42Å; L689-Y728 WeakPolarHBondContact O-CB 3.31Å; H690-Y728 PolarHBondContact CE1-N 2.97Å; H690-Y728 PolarHBondContact NE2-N 2.81Å; P693-Y728 HydrophobicContact CB-CD2 3.96Å; P693-Y728 HydrophobicContact CB-CE2 3.91Å; P693-Y728 HydrophobicContact CG-CD2 4.32Å; I705-Y728 HydrophobicContact CD1-CE1 4.31Å; L725-Y728 VanDerWaalsContact O-CD1 3.25Å; L725-Y728 WeakPolarHBondContact O-CD1 3.46Å; I726-Y728 PolarHBondContact O-N 2.73Å; I726-Y728 VanDerWaalsContact O-N 3.12Å; Y728-P730 VanDerWaalsContact C-N 3.27Å; Y728-P730 WeakPolarHBondContact O-CD 3.2Å; Y728-P730 VanDerWaalsContact O-N 3.08Å; Y728-E731 WeakPolarHBondContact O-CB 3.24Å; Y728-E731 PolarHBondContact O-N 3.01Å; Y728-E732 HydrophobicContact CD2-CB 4.42Å; Y728-E732 HydrophobicContact CE2-CB 3.82Å; Y728-E732 HydrophobicContact CE2-CG 4.29Å; Y728-E732 VanDerWaalsContact CE2-OE2 3.27Å; Y728-E732 WeakPolarHBondContact CE2-OE2 3.44Å; Y728-E732 PolarHBondContact OH-OE2 3.37Å; Y728-P737 WeakPolarHBondContact OH-CB 3.42Å
729	L	96.3	Very high	94.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-50.6	-34.3	-173.9	-76	178.2	0	0	0	115.1	I705 I726 E731 E732 W738 A741	I705-L729 HydrophobicContact CD1-CD2 4.45Å; I726-L729 HydrophobicContact CB-CD1 3.79Å; I726-L729 HydrophobicContact CB-CG 4.11Å; I726-L729 HydrophobicContact CG2-CD1 4.28Å; I726-L729 WeakPolarHBondContact O-CB 3.02Å; I726-L729 VanDerWaalsContact O-CG 3.25Å; I726-L729 WeakPolarHBondContact O-CG 3.29Å; I726-L729 PolarHBondContact O-N 3.38Å; I726-L729 VanDerWaalsContact O-N 3.1Å; L729-E731 PolarHBondContact O-N 3.08Å; L729-E732 HydrophobicContact CD2-CB 4.2Å; L729-E732 HydrophobicContact CD2-CG 4.42Å; L729-E732 WeakPolarHBondContact O-CB 3.48Å; L729-E732 PolarHBondContact O-N 3.02Å; L729-W738 HydrophobicContact CB-CH2 3.74Å; L729-W738 HydrophobicContact CB-CZ2 3.86Å; L729-W738 HydrophobicContact CB-CZ3 4.12Å; L729-W738 HydrophobicContact CD1-CE3 4.15Å; L729-W738 HydrophobicContact CD1-CH2 4.41Å; L729-W738 HydrophobicContact CD1-CZ3 3.95Å; L729-W738 HydrophobicContact CD2-CD2 4.14Å; L729-W738 HydrophobicContact CD2-CE3 4.32Å; L729-W738 HydrophobicContact CG-CZ3 4.48Å; L729-W738 WeakPolarHBondContact O-CZ2 3.36Å; L729-A741 HydrophobicContact CD1-CB 3.62Å; L729-A741 HydrophobicContact CD2-CB 4.32Å
730	P	94.6	Very high	95.3	Very high	28 Å²	28	18.8 Å²	18.8	18%	0.182	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-53.2	-25.6	173.7	-29.2	37	0	0	0	115	G727 Y728	G727-P730 WeakPolarHBondContact O-CD 3.38Å; Y728-P730 VanDerWaalsContact C-N 3.27Å; Y728-P730 WeakPolarHBondContact O-CD 3.2Å; Y728-P730 VanDerWaalsContact O-N 3.08Å
731	E	92.9	Very high	95.6	Very high	127 Å²	127	18.1 Å²	18.1	59%	0.593	10%	0.102	S	C	*	.	G	3₁₀ helix	trans	-95.7	-7	177.2	-55.1	-56.9	139.3	0	0	113.2	Y728 L729	Y728-E731 WeakPolarHBondContact O-CB 3.24Å; Y728-E731 PolarHBondContact O-N 3.01Å; L729-E731 PolarHBondContact O-N 3.08Å
732	E	95.5	Very high	95.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.			trans	-77	130.9	-179	178.8	63.1	-101.9	0	0	111.6	R701 Y728 L729 S734 P737 W738 R772	R701-E732 IonicContact CZ-OE1 3.34Å; R701-E732 IonicContact CZ-OE2 3.07Å; R701-E732 IonicContact NE-OE1 3.72Å; R701-E732 IonicContact NE-OE2 3.06Å; R701-E732 PolarHBondContact NE-OE2 2.7Å; R701-E732 IonicContact NH2-OE1 3.77Å; R701-E732 PolarHBondContact NH2-OE1 3Å; R701-E732 IonicContact NH2-OE2 3.66Å; R701-E732 PolarHBondContact NH2-OE2 3Å; Y728-E732 HydrophobicContact CD2-CB 4.42Å; Y728-E732 HydrophobicContact CE2-CB 3.82Å; Y728-E732 HydrophobicContact CE2-CG 4.29Å; Y728-E732 VanDerWaalsContact CE2-OE2 3.27Å; Y728-E732 WeakPolarHBondContact CE2-OE2 3.44Å; Y728-E732 PolarHBondContact OH-OE2 3.37Å; L729-E732 HydrophobicContact CD2-CB 4.2Å; L729-E732 HydrophobicContact CD2-CG 4.42Å; L729-E732 WeakPolarHBondContact O-CB 3.48Å; L729-E732 PolarHBondContact O-N 3.02Å; E732-S734 VanDerWaalsContact OE1-CB 3.29Å; E732-S734 WeakPolarHBondContact OE1-CB 3.31Å; E732-S734 PolarHBondContact OE1-N 3.36Å; E732-S734 PolarHBondContact OE1-OG 2.95Å; E732-P737 HydrophobicContact CG-CB 4.11Å; E732-P737 HydrophobicContact CG-CG 4.41Å; E732-P737 WeakPolarHBondContact OE2-CG 3.42Å; E732-W738 HydrophobicContact CG-CG 4.43Å; E732-W738 PolarHBondContact O-NE1 3.34Å; E732-R772 PolarHBondContact O-NE 2.69Å
733	T	93.9	Very high	95.7	Very high	67 Å²	67	20.9 Å²	20.9	41%	0.411	11%	0.111	S	C	.	.			trans	-113.6	-8.4	-175.5	58.8	0	0	0	0	113.7	L799	T733-L799 WeakPolarHBondContact O-CD2 3.31Å
734	S	94.2	Very high	95.7	Very high	21 Å²	21	21.6 Å²	21.6	15%	0.147	12%	0.116	C	C	.	.			trans	-97.9	143	-177.8	-54.7	0	0	0	0	111.9	R701 E732 P737	R701-S734 PolarHBondContact NH2-OG 3.23Å; R701-S734 VanDerWaalsContact NH2-OG 3.1Å; E732-S734 VanDerWaalsContact OE1-CB 3.29Å; E732-S734 WeakPolarHBondContact OE1-CB 3.31Å; E732-S734 PolarHBondContact OE1-N 3.36Å; E732-S734 PolarHBondContact OE1-OG 2.95Å; S734-P737 WeakPolarHBondContact O-CD 3.08Å
735	F	94	Very high	95.8	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-58.3	-49.4	177.7	164.7	-107.9	0	0	0	113.1	R474 W738 H739 E798 L799 E802	R474-F735 VanDerWaalsContact CZ-CZ 3.41Å; F735-W738 WeakPolarHBondContact O-CB 2.92Å; F735-W738 PolarHBondContact O-N 3.43Å; F735-W738 VanDerWaalsContact O-N 3.15Å; F735-H739 HydrophobicContact CD2-CB 4.32Å; F735-H739 HydrophobicContact CE1-CB 4.09Å; F735-H739 HydrophobicContact CE2-CB 3.73Å; F735-H739 AromaticContact CE2-CG 3.87Å; F735-H739 AromaticContact CE2-ND1 3.9Å; F735-H739 HydrophobicContact CZ-CB 3.57Å; F735-H739 AromaticContact CZ-CD2 3.92Å; F735-H739 AromaticContact CZ-CG 3.45Å; F735-H739 VanDerWaalsContact CZ-CG 3.45Å; F735-H739 AromaticContact CZ-ND1 3.72Å; F735-H739 PolarHBondContact O-N 2.75Å; F735-E798 HydrophobicContact CD1-CB 4.45Å; F735-E798 HydrophobicContact CD2-CB 3.61Å; F735-E798 HydrophobicContact CE2-CB 3.84Å; F735-E798 HydrophobicContact CG-CB 3.95Å; F735-E798 HydrophobicContact CZ-CB 4.38Å; F735-L799 HydrophobicContact CB-CB 4.07Å; F735-E802 HydrophobicContact CE2-CB 4.47Å
736	L	95.6	Very high	95.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-44.8	-166.2	-176.3	69.4	0	0	0	114.6	Q473 L476 T477 V698 A702 W738 H739 A740	Q473-L736 HydrophobicContact CB-CD1 4.27Å; Q473-L736 HydrophobicContact CB-CD2 3.9Å; Q473-L736 HydrophobicContact CB-CG 4.46Å; Q473-L736 HydrophobicContact CG-CD2 4.13Å; Q473-L736 VanDerWaalsContact O-CD1 3.25Å; Q473-L736 WeakPolarHBondContact O-CD1 3.38Å; L476-L736 HydrophobicContact CD1-CD2 4.08Å; T477-L736 HydrophobicContact CG2-CD1 3.62Å; V698-L736 HydrophobicContact CG1-CB 3.91Å; V698-L736 HydrophobicContact CG1-CD2 4.16Å; A702-L736 HydrophobicContact CB-CD2 3.99Å; A702-L736 HydrophobicContact CB-CG 3.66Å; L736-W738 VanDerWaalsContact C-N 3.35Å; L736-W738 PolarHBondContact O-N 3.11Å; L736-H739 PolarHBondContact O-N 3.07Å; L736-A740 PolarHBondContact O-N 2.81Å
737	P	97.4	Very high	95.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.8	-34	176.5	-21.5	36.2	0	0	0	112.8	V698 R701 A702 I705 Y728 E732 S734 H739 A740 A741	V698-P737 HydrophobicContact CG1-CG 4.15Å; R701-P737 HydrophobicContact CB-CB 4.18Å; R701-P737 HydrophobicContact CB-CG 3.81Å; A702-P737 HydrophobicContact CB-CG 4.45Å; I705-P737 HydrophobicContact CD1-CB 3.94Å; I705-P737 WeakPolarHBondContact CD1-O 3.18Å; Y728-P737 WeakPolarHBondContact OH-CB 3.42Å; E732-P737 HydrophobicContact CG-CB 4.11Å; E732-P737 HydrophobicContact CG-CG 4.41Å; E732-P737 WeakPolarHBondContact OE2-CG 3.42Å; S734-P737 WeakPolarHBondContact O-CD 3.08Å; P737-H739 VanDerWaalsContact C-N 3.35Å; P737-A740 PolarHBondContact O-N 3.06Å; P737-A741 WeakPolarHBondContact O-CB 2.83Å; P737-A741 PolarHBondContact O-N 3.19Å
738	W	97.5	Very high	95.5	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-63	-41.7	171.4	-87.5	107.4	0	0	0	111.9	L729 E732 F735 L736 A741 S742 V769 R772 L799 L803 L806	L729-W738 HydrophobicContact CB-CH2 3.74Å; L729-W738 HydrophobicContact CB-CZ2 3.86Å; L729-W738 HydrophobicContact CB-CZ3 4.12Å; L729-W738 HydrophobicContact CD1-CE3 4.15Å; L729-W738 HydrophobicContact CD1-CH2 4.41Å; L729-W738 HydrophobicContact CD1-CZ3 3.95Å; L729-W738 HydrophobicContact CD2-CD2 4.14Å; L729-W738 HydrophobicContact CD2-CE3 4.32Å; L729-W738 HydrophobicContact CG-CZ3 4.48Å; L729-W738 WeakPolarHBondContact O-CZ2 3.36Å; E732-W738 HydrophobicContact CG-CG 4.43Å; E732-W738 PolarHBondContact O-NE1 3.34Å; F735-W738 WeakPolarHBondContact O-CB 2.92Å; F735-W738 PolarHBondContact O-N 3.43Å; F735-W738 VanDerWaalsContact O-N 3.15Å; L736-W738 VanDerWaalsContact C-N 3.35Å; L736-W738 PolarHBondContact O-N 3.11Å; W738-A741 PolarHBondContact O-N 2.89Å; W738-S742 WeakPolarHBondContact O-CB 3.3Å; W738-S742 PolarHBondContact O-N 2.77Å; W738-V769 HydrophobicContact CH2-CG2 4.41Å; W738-V769 HydrophobicContact CZ3-CG2 4.02Å; W738-R772 HydrophobicContact CZ2-CB 4.09Å; W738-R772 HydrophobicContact CZ2-CG 4.47Å; W738-L799 HydrophobicContact CB-CD1 3.68Å; W738-L799 HydrophobicContact CD2-CD1 4.35Å; W738-L799 HydrophobicContact CG-CD1 3.5Å; W738-L803 HydrophobicContact CD2-CD2 3.95Å; W738-L803 HydrophobicContact CE3-CD2 3.9Å; W738-L803 HydrophobicContact CH2-CD2 3.82Å; W738-L803 HydrophobicContact CZ2-CD2 3.84Å; W738-L803 HydrophobicContact CZ3-CD2 3.85Å; W738-L806 HydrophobicContact CE3-CD1 4.22Å; W738-L806 HydrophobicContact CZ3-CD1 4.34Å
739	H	96.6	Very high	95.4	Very high	23 Å²	23	23 Å²	23	11%	0.106	12%	0.117	C	C	.	.	H	α-helix	trans	-68.6	-39.3	177.9	-165.5	62.9	0	0	0	112.3	T477 D478 F735 L736 P737 A741 S742 R743 E802	T477-H739 PolarHBondContact OG1-CD2 2.96Å; D478-H739 IonicContact OD1-NE2 3.5Å; F735-H739 HydrophobicContact CD2-CB 4.32Å; F735-H739 HydrophobicContact CE1-CB 4.09Å; F735-H739 HydrophobicContact CE2-CB 3.73Å; F735-H739 AromaticContact CE2-CG 3.87Å; F735-H739 AromaticContact CE2-ND1 3.9Å; F735-H739 HydrophobicContact CZ-CB 3.57Å; F735-H739 AromaticContact CZ-CD2 3.92Å; F735-H739 AromaticContact CZ-CG 3.45Å; F735-H739 VanDerWaalsContact CZ-CG 3.45Å; F735-H739 AromaticContact CZ-ND1 3.72Å; F735-H739 PolarHBondContact O-N 2.75Å; L736-H739 PolarHBondContact O-N 3.07Å; P737-H739 VanDerWaalsContact C-N 3.35Å; H739-A741 VanDerWaalsContact C-N 3.34Å; H739-A741 PolarHBondContact O-N 3.13Å; H739-S742 PolarHBondContact O-N 3.14Å; H739-S742 PolarHBondContact O-OG 2.89Å; H739-R743 WeakPolarHBondContact O-CG 3.48Å; H739-R743 PolarHBondContact O-N 3.05Å; H739-R743 VanDerWaalsContact O-N 3.12Å; H739-E802 IonicContact CE1-OE2 3.71Å; H739-E802 IonicContact CG-OE2 2.73Å; H739-E802 IonicContact ND1-OE2 3.8Å; H739-E802 PolarHBondContact ND1-OE2 2.98Å
740	A	97.6	Very high	95.1	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.017	13%	0.126	C	C	.	.	H	α-helix	trans	-61.1	-43.5	171.5	0	0	0	0	0	111.6	T477 A702 I705 L736 P737 A744	T477-A740 HydrophobicContact CG2-CB 4.4Å; A702-A740 HydrophobicContact CB-CB 3.95Å; I705-A740 HydrophobicContact CB-CB 4.34Å; I705-A740 HydrophobicContact CG2-CB 4.26Å; L736-A740 PolarHBondContact O-N 2.81Å; P737-A740 PolarHBondContact O-N 3.06Å; A740-A744 PolarHBondContact O-N 3.37Å
741	A	97.8	Very high	95	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-64.9	-43.7	176.1	0	0	0	0	0	112.3	I705 I726 L729 P737 W738 H739 R743 A744 L745	I705-A741 HydrophobicContact CD1-CB 4.46Å; I705-A741 HydrophobicContact CG2-CB 4.12Å; I726-A741 HydrophobicContact CG2-CB 4.39Å; L729-A741 HydrophobicContact CD1-CB 3.62Å; L729-A741 HydrophobicContact CD2-CB 4.32Å; P737-A741 WeakPolarHBondContact O-CB 2.83Å; P737-A741 PolarHBondContact O-N 3.19Å; W738-A741 PolarHBondContact O-N 2.89Å; H739-A741 VanDerWaalsContact C-N 3.34Å; H739-A741 PolarHBondContact O-N 3.13Å; A741-R743 PolarHBondContact O-N 3.34Å; A741-A744 PolarHBondContact O-N 3.06Å; A741-L745 WeakPolarHBondContact O-CB 3.16Å; A741-L745 VanDerWaalsContact O-CG 3.23Å; A741-L745 WeakPolarHBondContact O-CG 3.28Å; A741-L745 PolarHBondContact O-N 3.4Å
742	S	96.8	Very high	95.1	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.007	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-41.2	-178.4	73.8	0	0	0	0	111.9	W738 H739 A744 L745 Y746 E802	W738-S742 WeakPolarHBondContact O-CB 3.3Å; W738-S742 PolarHBondContact O-N 2.77Å; H739-S742 PolarHBondContact O-N 3.14Å; H739-S742 PolarHBondContact O-OG 2.89Å; S742-A744 VanDerWaalsContact C-N 3.34Å; S742-A744 PolarHBondContact O-N 2.95Å; S742-L745 PolarHBondContact O-N 3.25Å; S742-Y746 WeakPolarHBondContact O-CD2 3.13Å; S742-Y746 PolarHBondContact O-N 3.05Å; S742-E802 WeakPolarHBondContact CB-OE1 3.35Å; S742-E802 PolarHBondContact OG-OE1 2.8Å
743	R	95.4	Very high	94.8	Very high	73 Å²	73	19.1 Å²	19.1	28%	0.275	10%	0.097	S	C	.	.	H	α-helix	trans	-57.2	-46	173.4	-70.8	176.4	66.7	93.4	-0	112	E482 H739 A741 Q747	E482-R743 IonicContact OE2-CZ 3.67Å; E482-R743 IonicContact OE2-NH1 3.69Å; E482-R743 IonicContact OE2-NH2 2.82Å; E482-R743 PolarHBondContact OE2-NH2 3.04Å; H739-R743 WeakPolarHBondContact O-CG 3.48Å; H739-R743 PolarHBondContact O-N 3.05Å; H739-R743 VanDerWaalsContact O-N 3.12Å; A741-R743 PolarHBondContact O-N 3.34Å; R743-Q747 PolarHBondContact O-N 3.32Å
744	A	95.5	Very high	94.6	Very high	16 Å²	16	20.3 Å²	20.3	13%	0.132	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-40.6	176.3	0	0	0	0	0	112.5	F709 A740 A741 S742 Q747 L748	F709-A744 HydrophobicContact CB-CB 4.06Å; F709-A744 HydrophobicContact CD1-CB 3.95Å; F709-A744 HydrophobicContact CD2-CB 3.6Å; F709-A744 HydrophobicContact CE1-CB 4.3Å; F709-A744 HydrophobicContact CE2-CB 3.98Å; F709-A744 HydrophobicContact CG-CB 3.6Å; F709-A744 HydrophobicContact CZ-CB 4.32Å; A740-A744 PolarHBondContact O-N 3.37Å; A741-A744 PolarHBondContact O-N 3.06Å; S742-A744 VanDerWaalsContact C-N 3.34Å; S742-A744 PolarHBondContact O-N 2.95Å; A744-Q747 PolarHBondContact O-N 3.08Å; A744-L748 PolarHBondContact O-N 2.78Å; A744-L748 VanDerWaalsContact O-N 3.07Å
745	L	96.1	Very high	94.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-67.6	-40.7	178.2	-69.2	174.4	0	0	0	112.2	I726 A741 S742 Q747 L748 D749 F761 V765	I726-L745 HydrophobicContact CD1-CD2 4.09Å; A741-L745 WeakPolarHBondContact O-CB 3.16Å; A741-L745 VanDerWaalsContact O-CG 3.23Å; A741-L745 WeakPolarHBondContact O-CG 3.28Å; A741-L745 PolarHBondContact O-N 3.4Å; S742-L745 PolarHBondContact O-N 3.25Å; L745-Q747 VanDerWaalsContact C-N 3.33Å; L745-L748 PolarHBondContact O-N 2.82Å; L745-D749 WeakPolarHBondContact O-CB 3.32Å; L745-D749 PolarHBondContact O-N 3.31Å; L745-F761 HydrophobicContact CD2-CE2 3.94Å; L745-F761 HydrophobicContact CD2-CZ 4.09Å; L745-V765 HydrophobicContact CD1-CG1 4.15Å; L745-V765 HydrophobicContact CD1-CG2 4.22Å; L745-V765 HydrophobicContact CD2-CG2 3.91Å
746	Y	94.6	Very high	94.3	Very high	32 Å²	32	28.3 Å²	28.3	13%	0.125	14%	0.136	C	C	.	.	H	α-helix	trans	-65.8	-35.6	173.6	-73.1	-55.9	0	0	0	111.7	S742 L748 D749 K750 M805 L806 F810	S742-Y746 WeakPolarHBondContact O-CD2 3.13Å; S742-Y746 PolarHBondContact O-N 3.05Å; Y746-L748 VanDerWaalsContact C-N 3.32Å; Y746-L748 PolarHBondContact O-N 2.61Å; Y746-D749 WeakPolarHBondContact O-CB 3.43Å; Y746-D749 PolarHBondContact O-N 2.89Å; Y746-K750 VanDerWaalsContact O-CG 3.32Å; Y746-K750 WeakPolarHBondContact O-CG 3.36Å; Y746-K750 PolarHBondContact O-N 3.25Å; Y746-M805 WeakPolarHBondContact OH-CG 3.4Å; Y746-L806 HydrophobicContact CE1-CD2 4.46Å; Y746-L806 HydrophobicContact CE2-CD2 4.13Å; Y746-F810 HydrophobicContact CD1-CE2 4.41Å; Y746-F810 HydrophobicContact CE1-CE2 4.12Å
747	Q	92.5	Very high	94.2	Very high	40 Å²	40	31.1 Å²	31.1	19%	0.187	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-40.8	173.1	-175.4	64.2	10.6	0	0	111.7	R743 A744 L745 L751	R743-Q747 PolarHBondContact O-N 3.32Å; A744-Q747 PolarHBondContact O-N 3.08Å; L745-Q747 VanDerWaalsContact C-N 3.33Å; Q747-L751 WeakPolarHBondContact O-CG 3.39Å; Q747-L751 PolarHBondContact O-N 2.85Å
748	L	94.3	Very high	94.1	Very high	13 Å²	13	33.7 Å²	33.7	7%	0.068	16%	0.162	C	C	.	.	H	α-helix	trans	-67.4	-37.4	173.5	-72	172.8	0	0	0	112	F709 A744 L745 Y746 K750 L751 L752 F761 W992 F1000	F709-L748 HydrophobicContact CD1-CD1 4.31Å; F709-L748 HydrophobicContact CE1-CD1 3.77Å; A744-L748 PolarHBondContact O-N 2.78Å; A744-L748 VanDerWaalsContact O-N 3.07Å; L745-L748 PolarHBondContact O-N 2.82Å; Y746-L748 VanDerWaalsContact C-N 3.32Å; Y746-L748 PolarHBondContact O-N 2.61Å; L748-K750 PolarHBondContact O-N 3.36Å; L748-L751 PolarHBondContact O-N 3.46Å; L748-L751 VanDerWaalsContact O-N 3.12Å; L748-L752 HydrophobicContact CB-CD1 4.44Å; L748-L752 WeakPolarHBondContact O-CB 3.43Å; L748-L752 VanDerWaalsContact O-CG 3.24Å; L748-L752 WeakPolarHBondContact O-CG 3.07Å; L748-L752 PolarHBondContact O-N 3.25Å; L748-F761 HydrophobicContact CB-CE1 4.25Å; L748-F761 HydrophobicContact CB-CE2 4.11Å; L748-F761 HydrophobicContact CB-CZ 3.65Å; L748-F761 HydrophobicContact CD1-CE2 4.18Å; L748-F761 HydrophobicContact CD1-CZ 4.45Å; L748-W992 HydrophobicContact CD2-CH2 4.2Å; L748-W992 HydrophobicContact CD2-CZ2 3.74Å; L748-F1000 HydrophobicContact CD1-CE2 3.92Å; L748-F1000 HydrophobicContact CD1-CZ 4.06Å; L748-F1000 HydrophobicContact CD2-CE2 4.23Å
749	D	93.9	Very high	93.9	Very high	33 Å²	33	42.6 Å²	42.6	18%	0.176	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-48.6	174.3	-170.9	56.1	0	0	0	111.5	L745 Y746 L751 L752 D753 Y758 F761 F810	L745-D749 WeakPolarHBondContact O-CB 3.32Å; L745-D749 PolarHBondContact O-N 3.31Å; Y746-D749 WeakPolarHBondContact O-CB 3.43Å; Y746-D749 PolarHBondContact O-N 2.89Å; D749-L751 PolarHBondContact O-N 3.29Å; D749-L751 VanDerWaalsContact O-N 3.15Å; D749-L752 PolarHBondContact O-N 2.73Å; D749-D753 WeakPolarHBondContact O-CB 3.34Å; D749-D753 PolarHBondContact O-N 2.91Å; D749-Y758 WeakPolarHBondContact OD1-CE2 3.42Å; D749-Y758 PolarHBondContact OD1-OH 3.31Å; D749-F761 HydrophobicContact CB-CE1 4.15Å; D749-F810 HydrophobicContact CB-CE1 4.4Å; D749-F810 HydrophobicContact CB-CZ 4.06Å
750	K	91.3	Very high	93.8	Very high	40 Å²	40	44.3 Å²	44.3	17%	0.174	21%	0.205	C	C	.	.	H	α-helix	trans	-55.7	-32.2	175	-67.8	-179	-167	-171.9	0	113.4	Y746 L748 E953 F954 N956	Y746-K750 VanDerWaalsContact O-CG 3.32Å; Y746-K750 WeakPolarHBondContact O-CG 3.36Å; Y746-K750 PolarHBondContact O-N 3.25Å; L748-K750 PolarHBondContact O-N 3.36Å; K750-E953 IonicContact NZ-OE1 3.13Å; K750-E953 PolarHBondContact NZ-OE1 3.29Å; K750-E953 IonicContact NZ-OE2 2.68Å; K750-E953 PolarHBondContact NZ-OE2 3.21Å; K750-F954 HydrophobicContact CB-CD1 4.3Å; K750-F954 HydrophobicContact CD-CD1 3.95Å; K750-F954 HydrophobicContact CD-CE1 3.65Å; K750-F954 HydrophobicContact CD-CZ 4.32Å; K750-F954 HydrophobicContact CG-CD1 3.74Å; K750-F954 HydrophobicContact CG-CE1 3.6Å; K750-N956 PolarHBondContact O-ND2 3.29Å
751	L	92.4	Very high	93.7	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-80.1	-41.3	176.7	-65.1	170.7	0	0	0	110.7	Q747 L748 D749 N956 N989 W992 H993	Q747-L751 WeakPolarHBondContact O-CG 3.39Å; Q747-L751 PolarHBondContact O-N 2.85Å; L748-L751 PolarHBondContact O-N 3.46Å; L748-L751 VanDerWaalsContact O-N 3.12Å; D749-L751 PolarHBondContact O-N 3.29Å; D749-L751 VanDerWaalsContact O-N 3.15Å; L751-N956 HydrophobicContact CD2-CB 4.44Å; L751-N956 PolarHBondContact O-ND2 2.77Å; L751-N989 HydrophobicContact CD2-CB 3.66Å; L751-W992 HydrophobicContact CB-CE3 4.32Å; L751-W992 HydrophobicContact CB-CZ3 4.33Å; L751-W992 HydrophobicContact CD1-CD2 3.8Å; L751-W992 HydrophobicContact CD1-CE3 3.9Å; L751-W992 HydrophobicContact CD1-CG 4.1Å; L751-W992 HydrophobicContact CD1-CZ3 4.4Å; L751-H993 PolarHBondContact O-CE1 2.58Å; L751-H993 PolarHBondContact O-NE2 2.73Å
752	L	93.3	Very high	93.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-98	-16.8	-163.5	-63.5	176.4	0	0	0	115.2	L748 D749 R754 T755 Y758 F761 W992 F1000 Y1001	L748-L752 HydrophobicContact CB-CD1 4.44Å; L748-L752 WeakPolarHBondContact O-CB 3.43Å; L748-L752 VanDerWaalsContact O-CG 3.24Å; L748-L752 WeakPolarHBondContact O-CG 3.07Å; L748-L752 PolarHBondContact O-N 3.25Å; D749-L752 PolarHBondContact O-N 2.73Å; L752-R754 PolarHBondContact O-N 3.47Å; L752-T755 HydrophobicContact CD2-CG2 4.41Å; L752-T755 WeakPolarHBondContact O-CB 3.46Å; L752-T755 WeakPolarHBondContact O-CG2 3.44Å; L752-T755 PolarHBondContact O-N 3.34Å; L752-T755 PolarHBondContact O-OG1 3.18Å; L752-Y758 HydrophobicContact CB-CD2 4.03Å; L752-Y758 WeakPolarHBondContact O-CD2 3.04Å; L752-F761 HydrophobicContact CD1-CB 4.26Å; L752-F761 HydrophobicContact CD1-CD1 4.06Å; L752-F761 HydrophobicContact CD1-CD2 4.29Å; L752-F761 HydrophobicContact CD1-CE1 4.5Å; L752-F761 HydrophobicContact CD1-CG 3.94Å; L752-W992 HydrophobicContact CD1-CH2 4.5Å; L752-W992 HydrophobicContact CD2-CH2 3.86Å; L752-W992 HydrophobicContact CD2-CZ3 3.67Å; L752-W992 HydrophobicContact CG-CH2 4.38Å; L752-W992 HydrophobicContact CG-CZ3 4.42Å; L752-F1000 HydrophobicContact CD1-CD1 3.99Å; L752-F1000 HydrophobicContact CD1-CE1 3.36Å; L752-F1000 HydrophobicContact CD1-CZ 3.91Å; L752-Y1001 HydrophobicContact CD2-CE2 3.88Å
753	D	90.3	Very high	93.5	Very high	29 Å²	29	48.5 Å²	48.5	16%	0.155	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-30	-172.7	67.1	-11.9	0	0	0	115.4	D749 Y758 R919	D749-D753 WeakPolarHBondContact O-CB 3.34Å; D749-D753 PolarHBondContact O-N 2.91Å; D753-Y758 HydrophobicContact CB-CE2 4.31Å; D753-R919 IonicContact OD1-NH1 3.87Å; D753-R919 PolarHBondContact OD1-NH1 2.75Å; D753-R919 IonicContact OD2-CZ 3.46Å; D753-R919 VanDerWaalsContact OD2-CZ 3.27Å; D753-R919 IonicContact OD2-NH1 2.73Å; D753-R919 PolarHBondContact OD2-NH1 3.32Å; D753-R919 IonicContact OD2-NH2 3.93Å; D753-R919 PolarHBondContact OD2-NH2 2.95Å
754	R	88.6	Confident	93.4	Very high	91 Å²	91	46.4 Å²	46.4	34%	0.343	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	14	178.9	-65	-174.5	-61.8	-179.8	-0.6	114.6	L752 N956 E960	L752-R754 PolarHBondContact O-N 3.47Å; R754-N956 PolarHBondContact NH2-OD1 2.89Å; R754-E960 IonicContact CZ-OE1 3.22Å; R754-E960 IonicContact CZ-OE2 3.57Å; R754-E960 IonicContact NH1-OE1 3.59Å; R754-E960 PolarHBondContact NH1-OE1 3.04Å; R754-E960 IonicContact NH1-OE2 3.33Å; R754-E960 IonicContact NH2-OE1 2.68Å; R754-E960 PolarHBondContact NH2-OE1 2.94Å; R754-E960 VanDerWaalsContact NH2-OE1 3.07Å; R754-E960 IonicContact NH2-OE2 2.9Å; R754-E960 PolarHBondContact NH2-OE2 3.24Å
755	T	91.3	Very high	93.4	Very high	21 Å²	21	45.7 Å²	45.7	13%	0.129	21%	0.214	C	C	.	.	S	Bend	trans	-100.8	147.2	-178.6	68.6	0	0	0	0	112.3	L752 D757 Y758 Y1001	L752-T755 HydrophobicContact CD2-CG2 4.41Å; L752-T755 WeakPolarHBondContact O-CB 3.46Å; L752-T755 WeakPolarHBondContact O-CG2 3.44Å; L752-T755 PolarHBondContact O-N 3.34Å; L752-T755 PolarHBondContact O-OG1 3.18Å; T755-D757 PolarHBondContact O-N 3.23Å; T755-Y758 VanDerWaalsContact O-CB 3.26Å; T755-Y758 WeakPolarHBondContact O-CB 3.22Å; T755-Y758 PolarHBondContact O-N 3.28Å; T755-Y758 VanDerWaalsContact O-N 3.11Å; T755-Y1001 PolarHBondContact OG1-OH 3.22Å
756	D	91.4	Very high	93.4	Very high	172 Å²	172	47.2 Å²	47.2	92%	0.92	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.2	-176.8	-57.5	-37.6	0	0	0	113.5
757	D	93.6	Very high	93.3	Very high	60 Å²	60	51.9 Å²	51.9	32%	0.321	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6.4	-178.1	-77.5	-40.7	0	0	0	113.3	T755 R759 L760 Y1001 R1005	T755-D757 PolarHBondContact O-N 3.23Å; D757-R759 PolarHBondContact O-N 2.68Å; D757-L760 HydrophobicContact CB-CD1 4.28Å; D757-L760 WeakPolarHBondContact O-CB 3.5Å; D757-L760 PolarHBondContact O-N 3.15Å; D757-Y1001 HydrophobicContact CB-CD1 3.67Å; D757-Y1001 HydrophobicContact CB-CD2 4.12Å; D757-Y1001 HydrophobicContact CB-CE1 3.53Å; D757-Y1001 HydrophobicContact CB-CE2 3.98Å; D757-Y1001 HydrophobicContact CB-CG 3.98Å; D757-Y1001 WeakPolarHBondContact O-CE1 3.44Å; D757-R1005 IonicContact OD1-CZ 3.99Å; D757-R1005 IonicContact OD1-NH2 2.85Å; D757-R1005 PolarHBondContact OD1-NH2 3.37Å; D757-R1005 IonicContact OD2-CZ 3.65Å; D757-R1005 IonicContact OD2-NH1 3.85Å; D757-R1005 IonicContact OD2-NH2 2.71Å; D757-R1005 PolarHBondContact OD2-NH2 3.18Å
758	Y	94.3	Very high	93.4	Very high	54 Å²	54	50.8 Å²	50.8	21%	0.212	24%	0.238	C	C	.	.	H	α-helix	trans	-50.1	-37.1	-174.8	175.9	-105.9	0	0	0	113.8	D749 L752 D753 T755 L760 F761 S762	D749-Y758 WeakPolarHBondContact OD1-CE2 3.42Å; D749-Y758 PolarHBondContact OD1-OH 3.31Å; L752-Y758 HydrophobicContact CB-CD2 4.03Å; L752-Y758 WeakPolarHBondContact O-CD2 3.04Å; D753-Y758 HydrophobicContact CB-CE2 4.31Å; T755-Y758 VanDerWaalsContact O-CB 3.26Å; T755-Y758 WeakPolarHBondContact O-CB 3.22Å; T755-Y758 PolarHBondContact O-N 3.28Å; T755-Y758 VanDerWaalsContact O-N 3.11Å; Y758-L760 PolarHBondContact O-N 2.72Å; Y758-L760 VanDerWaalsContact O-N 3.15Å; Y758-F761 HydrophobicContact CD2-CD1 4.27Å; Y758-F761 AromaticContact CE2-CD1 3.9Å; Y758-F761 HydrophobicContact CE2-CD1 3.9Å; Y758-F761 HydrophobicContact CE2-CE1 4.5Å; Y758-F761 WeakPolarHBondContact O-CA 3.46Å; Y758-F761 WeakPolarHBondContact O-CB 3.23Å; Y758-F761 PolarHBondContact O-N 2.87Å; Y758-S762 PolarHBondContact O-N 2.93Å
759	R	94.3	Very high	93.4	Very high	188 Å²	188	50.3 Å²	50.3	71%	0.709	24%	0.235	S	C	*	.	H	α-helix	trans	-55.4	-34.7	178.8	-173.7	172.5	176.8	173.4	-0.9	113.5	D757 F761 S762 D763	D757-R759 PolarHBondContact O-N 2.68Å; R759-F761 VanDerWaalsContact C-N 3.29Å; R759-F761 PolarHBondContact O-N 2.96Å; R759-S762 PolarHBondContact O-N 3.45Å; R759-D763 IonicContact NE-OD2 3.22Å; R759-D763 WeakPolarHBondContact O-CB 3.33Å; R759-D763 VanDerWaalsContact O-CG 3.26Å; R759-D763 PolarHBondContact O-N 2.92Å
760	L	94.3	Very high	93.4	Very high	59 Å²	59	50.2 Å²	50.2	31%	0.309	24%	0.239	S	C	.	.	H	α-helix	trans	-63	-37.7	176.5	-66.1	175	0	0	0	112	D757 Y758 Y764 Y1001 L1004 R1005	D757-L760 HydrophobicContact CB-CD1 4.28Å; D757-L760 WeakPolarHBondContact O-CB 3.5Å; D757-L760 PolarHBondContact O-N 3.15Å; Y758-L760 PolarHBondContact O-N 2.72Å; Y758-L760 VanDerWaalsContact O-N 3.15Å; L760-Y764 WeakPolarHBondContact O-CB 3.41Å; L760-Y764 PolarHBondContact O-N 2.89Å; L760-Y1001 HydrophobicContact CB-CD1 4.39Å; L760-Y1001 HydrophobicContact CB-CE1 4.41Å; L760-Y1001 HydrophobicContact CD1-CD1 4.25Å; L760-L1004 HydrophobicContact CB-CD1 4.45Å; L760-R1005 HydrophobicContact CD1-CG 3.96Å
761	F	95.3	Very high	93.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-71.5	-46.8	176.6	173.1	-117.8	0	0	0	110.7	L745 L748 D749 L752 Y758 R759 D763 Y764 V765 F810 F1000 L1004	L745-F761 HydrophobicContact CD2-CE2 3.94Å; L745-F761 HydrophobicContact CD2-CZ 4.09Å; L748-F761 HydrophobicContact CB-CE1 4.25Å; L748-F761 HydrophobicContact CB-CE2 4.11Å; L748-F761 HydrophobicContact CB-CZ 3.65Å; L748-F761 HydrophobicContact CD1-CE2 4.18Å; L748-F761 HydrophobicContact CD1-CZ 4.45Å; D749-F761 HydrophobicContact CB-CE1 4.15Å; L752-F761 HydrophobicContact CD1-CB 4.26Å; L752-F761 HydrophobicContact CD1-CD1 4.06Å; L752-F761 HydrophobicContact CD1-CD2 4.29Å; L752-F761 HydrophobicContact CD1-CE1 4.5Å; L752-F761 HydrophobicContact CD1-CG 3.94Å; Y758-F761 HydrophobicContact CD2-CD1 4.27Å; Y758-F761 AromaticContact CE2-CD1 3.9Å; Y758-F761 HydrophobicContact CE2-CD1 3.9Å; Y758-F761 HydrophobicContact CE2-CE1 4.5Å; Y758-F761 WeakPolarHBondContact O-CA 3.46Å; Y758-F761 WeakPolarHBondContact O-CB 3.23Å; Y758-F761 PolarHBondContact O-N 2.87Å; R759-F761 VanDerWaalsContact C-N 3.29Å; R759-F761 PolarHBondContact O-N 2.96Å; F761-D763 VanDerWaalsContact C-N 3.34Å; F761-D763 PolarHBondContact O-N 3.09Å; F761-Y764 WeakPolarHBondContact O-CB 3.3Å; F761-Y764 PolarHBondContact O-N 3.32Å; F761-Y764 VanDerWaalsContact O-N 3.15Å; F761-V765 HydrophobicContact CD2-CG2 4.24Å; F761-V765 HydrophobicContact CE1-CG2 4.38Å; F761-V765 HydrophobicContact CE2-CG2 3.78Å; F761-V765 HydrophobicContact CZ-CG2 3.85Å; F761-V765 WeakPolarHBondContact O-CG2 3.41Å; F761-V765 PolarHBondContact O-N 3.21Å; F761-F810 HydrophobicContact CD1-CE1 4.07Å; F761-F810 AromaticContact CE1-CE1 3.56Å; F761-F810 HydrophobicContact CE1-CE1 3.56Å; F761-F810 AromaticContact CE1-CZ 3.99Å; F761-F810 HydrophobicContact CE1-CZ 3.99Å; F761-F810 HydrophobicContact CZ-CE1 4.2Å; F761-F810 HydrophobicContact CZ-CZ 4.31Å; F761-F1000 HydrophobicContact CD2-CE1 4.06Å; F761-F1000 AromaticContact CD2-CZ 3.81Å; F761-F1000 HydrophobicContact CD2-CZ 3.81Å; F761-F1000 HydrophobicContact CE2-CZ 4.14Å; F761-L1004 HydrophobicContact CB-CD1 4.06Å
762	S	95.4	Very high	93.4	Very high	15 Å²	15	52.6 Å²	52.6	11%	0.105	25%	0.254	C	S	.	.	H	α-helix	trans	-56.9	-46.1	176.3	-167	0	0	0	0	112.3	Y758 R759 Y764 V765 L766 F810	Y758-S762 PolarHBondContact O-N 2.93Å; R759-S762 PolarHBondContact O-N 3.45Å; S762-Y764 VanDerWaalsContact C-N 3.32Å; S762-Y764 PolarHBondContact O-N 2.89Å; S762-V765 PolarHBondContact O-N 3.06Å; S762-L766 WeakPolarHBondContact O-CB 3.48Å; S762-L766 WeakPolarHBondContact O-CG 3.29Å; S762-L766 PolarHBondContact O-N 2.88Å; S762-F810 PolarHBondContact OG-O 3.06Å
763	D	94.8	Very high	93.5	Very high	77 Å²	77	52.9 Å²	52.9	41%	0.412	26%	0.255	S	S	.	.	H	α-helix	trans	-64.1	-36.7	178.5	-73.1	-20.2	0	0	0	111.8	R759 F761 K767	R759-D763 IonicContact NE-OD2 3.22Å; R759-D763 WeakPolarHBondContact O-CB 3.33Å; R759-D763 VanDerWaalsContact O-CG 3.26Å; R759-D763 PolarHBondContact O-N 2.92Å; F761-D763 VanDerWaalsContact C-N 3.34Å; F761-D763 PolarHBondContact O-N 3.09Å; D763-K767 WeakPolarHBondContact O-CB 3.42Å; D763-K767 PolarHBondContact O-N 3.07Å
764	Y	94.3	Very high	93.6	Very high	29 Å²	29	56.7 Å²	56.7	11%	0.114	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-47.1	174.2	171.2	-91.4	0	0	0	111.8	L723 I726 L760 F761 S762 K767 Q768 W1003 L1004	L723-Y764 HydrophobicContact CD2-CE1 4.27Å; L723-Y764 PolarHBondContact O-OH 3.19Å; I726-Y764 HydrophobicContact CD1-CE1 3.93Å; I726-Y764 WeakPolarHBondContact CD1-OH 3.43Å; I726-Y764 WeakPolarHBondContact CG1-OH 3.31Å; L760-Y764 WeakPolarHBondContact O-CB 3.41Å; L760-Y764 PolarHBondContact O-N 2.89Å; F761-Y764 WeakPolarHBondContact O-CB 3.3Å; F761-Y764 PolarHBondContact O-N 3.32Å; F761-Y764 VanDerWaalsContact O-N 3.15Å; S762-Y764 VanDerWaalsContact C-N 3.32Å; S762-Y764 PolarHBondContact O-N 2.89Å; Y764-K767 WeakPolarHBondContact O-CB 3.14Å; Y764-K767 PolarHBondContact O-N 2.89Å; Y764-Q768 HydrophobicContact CE1-CG 4.18Å; Y764-Q768 VanDerWaalsContact CE2-NE2 3.33Å; Y764-Q768 WeakPolarHBondContact O-CG 3.23Å; Y764-Q768 PolarHBondContact O-N 2.78Å; Y764-W1003 HydrophobicContact CD2-CZ3 4.21Å; Y764-W1003 AromaticContact CE2-CH2 3.88Å; Y764-W1003 HydrophobicContact CE2-CH2 3.88Å; Y764-W1003 AromaticContact CE2-CZ3 3.71Å; Y764-W1003 HydrophobicContact CE2-CZ3 3.71Å; Y764-L1004 HydrophobicContact CD1-CD2 4.26Å; Y764-L1004 HydrophobicContact CD2-CD2 3.94Å; Y764-L1004 HydrophobicContact CG-CD2 3.74Å
765	V	95.6	Very high	93.7	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-47.7	178.2	175.2	0	0	0	0	110.8	L745 F761 S762 K767 Q768 V769 F810	L745-V765 HydrophobicContact CD1-CG1 4.15Å; L745-V765 HydrophobicContact CD1-CG2 4.22Å; L745-V765 HydrophobicContact CD2-CG2 3.91Å; F761-V765 HydrophobicContact CD2-CG2 4.24Å; F761-V765 HydrophobicContact CE1-CG2 4.38Å; F761-V765 HydrophobicContact CE2-CG2 3.78Å; F761-V765 HydrophobicContact CZ-CG2 3.85Å; F761-V765 WeakPolarHBondContact O-CG2 3.41Å; F761-V765 PolarHBondContact O-N 3.21Å; S762-V765 PolarHBondContact O-N 3.06Å; V765-K767 PolarHBondContact O-N 2.9Å; V765-Q768 PolarHBondContact O-N 3.1Å; V765-V769 HydrophobicContact CG1-CG2 4.3Å; V765-V769 WeakPolarHBondContact O-CG2 3.01Å; V765-V769 PolarHBondContact O-N 3.08Å; V765-V769 VanDerWaalsContact O-N 3.09Å; V765-F810 HydrophobicContact CB-CD1 4.04Å; V765-F810 HydrophobicContact CB-CD2 4.39Å; V765-F810 HydrophobicContact CB-CE1 4.2Å; V765-F810 HydrophobicContact CB-CG 4.12Å; V765-F810 HydrophobicContact CB-CZ 4.45Å; V765-F810 HydrophobicContact CG1-CB 4.43Å; V765-F810 HydrophobicContact CG1-CD1 4.16Å; V765-F810 HydrophobicContact CG1-CD2 3.61Å; V765-F810 HydrophobicContact CG1-CE1 4.31Å; V765-F810 HydrophobicContact CG1-CE2 3.81Å; V765-F810 HydrophobicContact CG1-CG 3.79Å; V765-F810 HydrophobicContact CG1-CZ 4.14Å; V765-F810 HydrophobicContact CG2-CD1 4.26Å; V765-F810 HydrophobicContact CG2-CE1 3.93Å; V765-F810 HydrophobicContact CG2-CZ 4.1Å
766	L	95.7	Very high	93.7	Very high	33 Å²	33	58.9 Å²	58.9	17%	0.173	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-36.1	177.3	-73	-178.3	0	0	0	112.3	S762 V769 A770 F810 N812	S762-L766 WeakPolarHBondContact O-CB 3.48Å; S762-L766 WeakPolarHBondContact O-CG 3.29Å; S762-L766 PolarHBondContact O-N 2.88Å; L766-V769 PolarHBondContact O-N 3.33Å; L766-A770 VanDerWaalsContact O-CB 3.3Å; L766-A770 WeakPolarHBondContact O-CB 3.36Å; L766-A770 PolarHBondContact O-N 2.86Å; L766-F810 WeakPolarHBondContact CD1-O 3.36Å; L766-F810 HydrophobicContact CD2-CB 3.88Å; L766-F810 HydrophobicContact CG-CB 4.11Å; L766-N812 HydrophobicContact CD2-CB 3.81Å
767	K	93.6	Very high	93.6	Very high	131 Å²	131	51.9 Å²	51.9	57%	0.57	25%	0.254	S	S	*	.	H	α-helix	trans	-64.6	-39.9	175.9	-175.5	179	177.1	-177.7	0	112.5	D763 Y764 V765	D763-K767 WeakPolarHBondContact O-CB 3.42Å; D763-K767 PolarHBondContact O-N 3.07Å; Y764-K767 WeakPolarHBondContact O-CB 3.14Å; Y764-K767 PolarHBondContact O-N 2.89Å; V765-K767 PolarHBondContact O-N 2.9Å
768	Q	93.6	Very high	93.4	Very high	17 Å²	17	50.7 Å²	50.7	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-43.5	176.5	-55.8	-51	-32.4	0	0	111.2	Y764 V765	Y764-Q768 HydrophobicContact CE1-CG 4.18Å; Y764-Q768 VanDerWaalsContact CE2-NE2 3.33Å; Y764-Q768 WeakPolarHBondContact O-CG 3.23Å; Y764-Q768 PolarHBondContact O-N 2.78Å; V765-Q768 PolarHBondContact O-N 3.1Å
769	V	95.1	Very high	93.1	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-74.6	-28.8	-175	176.9	0	0	0	0	112.6	W738 V765 L766 S771 R772 Y773 L803 L806 A807	W738-V769 HydrophobicContact CH2-CG2 4.41Å; W738-V769 HydrophobicContact CZ3-CG2 4.02Å; V765-V769 HydrophobicContact CG1-CG2 4.3Å; V765-V769 WeakPolarHBondContact O-CG2 3.01Å; V765-V769 PolarHBondContact O-N 3.08Å; V765-V769 VanDerWaalsContact O-N 3.09Å; L766-V769 PolarHBondContact O-N 3.33Å; V769-S771 PolarHBondContact O-N 3.15Å; V769-R772 PolarHBondContact O-N 3.12Å; V769-Y773 VanDerWaalsContact O-CB 3.26Å; V769-Y773 WeakPolarHBondContact O-CB 3.43Å; V769-Y773 PolarHBondContact O-N 2.75Å; V769-L803 HydrophobicContact CG1-CD2 4.12Å; V769-L806 HydrophobicContact CG1-CB 4.45Å; V769-L806 HydrophobicContact CG2-CB 3.92Å; V769-L806 HydrophobicContact CG2-CD1 4Å; V769-A807 HydrophobicContact CG1-CB 4.18Å
770	A	92.4	Very high	92	Very high	31 Å²	31	46.2 Å²	46.2	26%	0.256	25%	0.245	S	C	.	.	H	α-helix	trans	-51.1	-55.3	-168.2	0	0	0	0	0	114.2	L766 R772 H774	L766-A770 VanDerWaalsContact O-CB 3.3Å; L766-A770 WeakPolarHBondContact O-CB 3.36Å; L766-A770 PolarHBondContact O-N 2.86Å; A770-R772 PolarHBondContact O-N 3.38Å; A770-H774 PolarHBondContact O-N 2.96Å; A770-H774 VanDerWaalsContact O-N 3.16Å; A770-H774 PolarHBondContact O-ND1 3.29Å
771	S	92.6	Very high	90	Very high	48 Å²	48	47.5 Å²	47.5	34%	0.336	25%	0.252	S	S	.	.	H	α-helix	trans	-57.6	-52.6	-175	-177.5	0	0	0	0	111.4	V769 H774 Q775	V769-S771 PolarHBondContact O-N 3.15Å; S771-H774 PolarHBondContact O-N 2.85Å; S771-Q775 VanDerWaalsContact O-CG 3.31Å; S771-Q775 WeakPolarHBondContact O-CG 3.35Å; S771-Q775 PolarHBondContact O-N 3.13Å; S771-Q775 VanDerWaalsContact O-N 3.13Å; S771-Q775 PolarHBondContact OG-NE2 2.96Å
772	R	92.9	Very high	87.3	Confident	47 Å²	47	49.5 Å²	49.5	18%	0.177	27%	0.273	C	S	.	.	H	α-helix	trans	-71.5	-37.3	-173.9	-156.2	69.3	177	127.4	7.9	112.7	E732 W738 V769 A770 H774 Q775 M776 L803	E732-R772 PolarHBondContact O-NE 2.69Å; W738-R772 HydrophobicContact CZ2-CB 4.09Å; W738-R772 HydrophobicContact CZ2-CG 4.47Å; V769-R772 PolarHBondContact O-N 3.12Å; A770-R772 PolarHBondContact O-N 3.38Å; R772-H774 PolarHBondContact O-N 2.82Å; R772-Q775 PolarHBondContact O-N 3.34Å; R772-M776 HydrophobicContact CG-CE 3.59Å; R772-M776 VanDerWaalsContact CZ-CE 3.47Å; R772-M776 VanDerWaalsContact NE-CE 3.29Å; R772-M776 PolarHBondContact O-N 3Å; R772-L803 HydrophobicContact CB-CD1 3.86Å; R772-L803 HydrophobicContact CB-CD2 4.21Å; R772-L803 HydrophobicContact CG-CD1 3.49Å; R772-L803 VanDerWaalsContact CG-CD1 3.49Å; R772-L803 HydrophobicContact CG-CD2 4.49Å
773	Y	94.5	Very high	84.5	Confident	5 Å²	5	55.6 Å²	55.6	2%	0.02	31%	0.312	C	S	.	.	H	α-helix	trans	-58.7	-45.6	173.7	170.5	-97	0	0	0	112.3	V769 M776 G777 W778 I804 A807 C815	V769-Y773 VanDerWaalsContact O-CB 3.26Å; V769-Y773 WeakPolarHBondContact O-CB 3.43Å; V769-Y773 PolarHBondContact O-N 2.75Å; Y773-M776 PolarHBondContact O-N 2.95Å; Y773-G777 PolarHBondContact O-N 3.44Å; Y773-W778 AromaticContact CE2-NE1 3.76Å; Y773-W778 AromaticContact CZ-NE1 3.66Å; Y773-W778 PolarHBondContact OH-NE1 2.97Å; Y773-I804 HydrophobicContact CD2-CG1 4.44Å; Y773-I804 HydrophobicContact CE2-CG1 4.14Å; Y773-A807 HydrophobicContact CD2-CB 3.7Å; Y773-A807 HydrophobicContact CE2-CB 3.77Å; Y773-A807 HydrophobicContact CG-CB 4.19Å; Y773-C815 HydrophobicContact CE2-CB 4.5Å; Y773-C815 VanDerWaalsContact OH-CA 3.3Å; Y773-C815 WeakPolarHBondContact OH-CA 3.33Å; Y773-C815 PolarHBondContact OH-N 3.14Å
774	H	92.2	Very high	81.8	Confident	110 Å²	110	55.2 Å²	55.2	51%	0.509	33%	0.326	S	S	.	.	H	α-helix	trans	-68.4	-34.9	177.9	-69.4	94.8	0	0	0	112.5	A770 S771 R772 Q814	A770-H774 PolarHBondContact O-N 2.96Å; A770-H774 VanDerWaalsContact O-N 3.16Å; A770-H774 PolarHBondContact O-ND1 3.29Å; S771-H774 PolarHBondContact O-N 2.85Å; R772-H774 PolarHBondContact O-N 2.82Å; H774-Q814 PolarHBondContact NE2-OE1 3.42Å
775	Q	90.9	Very high	79.2	Confident	119 Å²	119	58.6 Å²	58.6	56%	0.556	35%	0.349	S	S	*	.	H	α-helix	trans	-67.4	-40.1	177.4	-71.5	173.4	14	0	0	112.6	S771 R772	S771-Q775 VanDerWaalsContact O-CG 3.31Å; S771-Q775 WeakPolarHBondContact O-CG 3.35Å; S771-Q775 PolarHBondContact O-N 3.13Å; S771-Q775 VanDerWaalsContact O-N 3.13Å; S771-Q775 PolarHBondContact OG-NE2 2.96Å; R772-Q775 PolarHBondContact O-N 3.34Å
776	M	90	Very high	76.5	Confident	38 Å²	38	67.8 Å²	67.8	19%	0.187	39%	0.393	C	S	.	.	H	α-helix	trans	-82.4	-34.5	-178.7	-66.4	-160.9	-162.4	0	0	113.7	R772 Y773 L799 Q800 L803	R772-M776 HydrophobicContact CG-CE 3.59Å; R772-M776 VanDerWaalsContact CZ-CE 3.47Å; R772-M776 VanDerWaalsContact NE-CE 3.29Å; R772-M776 PolarHBondContact O-N 3Å; Y773-M776 PolarHBondContact O-N 2.95Å; M776-L799 HydrophobicContact CE-CB 4.36Å; M776-L799 HydrophobicContact CE-CD1 4.38Å; M776-L799 HydrophobicContact CE-CD2 3.22Å; M776-L799 HydrophobicContact CE-CG 3.38Å; M776-L799 HydrophobicContact SD-CD2 4.38Å; M776-L799 HydrophobicContact SD-CG 4.01Å; M776-Q800 HydrophobicContact CB-CG 4.35Å; M776-Q800 PolarHBondContact O-NE2 3.37Å; M776-Q800 HydrophobicContact SD-CB 4.02Å; M776-L803 HydrophobicContact CE-CD1 3.56Å; M776-L803 HydrophobicContact CG-CD1 4.27Å; M776-L803 HydrophobicContact SD-CD1 3.62Å
777	G	90	Very high	73.6	Confident	26 Å²	26	69.1 Å²	69.1	27%	0.268	41%	0.414	S	S	.	.			trans	61	-165.8	-175.4	0	0	0	0	0	113.5	Y773 Q800	Y773-G777 PolarHBondContact O-N 3.44Å; G777-Q800 PolarHBondContact O-NE2 3.47Å
778	W	90.5	Very high	70.7	Confident	34 Å²	34	70.8 Å²	70.8	13%	0.129	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-98.1	151	178.9	-74.4	62.5	0	0	0	111.1	Y773 T780 I804 C815 Q818 A819 Y822 I838 V842	Y773-W778 AromaticContact CE2-NE1 3.76Å; Y773-W778 AromaticContact CZ-NE1 3.66Å; Y773-W778 PolarHBondContact OH-NE1 2.97Å; W778-T780 PolarHBondContact O-N 3.25Å; W778-I804 HydrophobicContact CD2-CD1 4.09Å; W778-I804 HydrophobicContact CE3-CD1 4.38Å; W778-I804 HydrophobicContact CG-CD1 4.23Å; W778-I804 HydrophobicContact CH2-CG2 3.72Å; W778-I804 HydrophobicContact CZ2-CG2 3.68Å; W778-I804 HydrophobicContact CZ3-CG2 4.16Å; W778-C815 HydrophobicContact CZ2-CB 4.4Å; W778-C815 VanDerWaalsContact CZ2-SG 3.56Å; W778-Q818 HydrophobicContact CD2-CB 4.4Å; W778-Q818 HydrophobicContact CD2-CG 3.64Å; W778-Q818 HydrophobicContact CE3-CG 4.01Å; W778-Q818 HydrophobicContact CG-CG 3.98Å; W778-Q818 HydrophobicContact CH2-CB 4.48Å; W778-Q818 HydrophobicContact CH2-CG 4.42Å; W778-Q818 HydrophobicContact CZ2-CB 3.93Å; W778-Q818 HydrophobicContact CZ2-CG 4.05Å; W778-Q818 HydrophobicContact CZ3-CG 4.39Å; W778-A819 HydrophobicContact CH2-CB 4.3Å; W778-Y822 HydrophobicContact CD2-CE2 4.32Å; W778-Y822 HydrophobicContact CE3-CD2 4.12Å; W778-Y822 AromaticContact CE3-CE2 3.55Å; W778-Y822 HydrophobicContact CE3-CE2 3.55Å; W778-Y822 HydrophobicContact CZ3-CD2 4.06Å; W778-Y822 AromaticContact CZ3-CE2 3.97Å; W778-Y822 HydrophobicContact CZ3-CE2 3.97Å; W778-I838 HydrophobicContact CE3-CD1 3.34Å; W778-I838 HydrophobicContact CZ3-CD1 3.53Å; W778-V842 HydrophobicContact CH2-CG2 4.19Å; W778-V842 HydrophobicContact CZ3-CG2 3.69Å
779	P	86.4	Confident	68.2	Low	28 Å²	28	75.4 Å²	75.4	18%	0.182	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-62.8	133.6	175.6	21.3	-28.3	0	0	0	111.5	Y822 P835 I838	P779-Y822 PolarHBondContact O-OH 3.34Å; P779-P835 HydrophobicContact CB-CB 4.34Å; P779-P835 HydrophobicContact CB-CG 4.25Å; P779-P835 HydrophobicContact CG-CB 4.08Å; P779-P835 HydrophobicContact CG-CG 3.98Å; P779-I838 HydrophobicContact CG-CD1 3.73Å; P779-I838 HydrophobicContact CG-CG1 4.11Å; P779-I838 HydrophobicContact CG-CG2 4.21Å
780	T	71.4	Confident	65.3	Low	120 Å²	120	83.5 Å²	83.5	74%	0.736	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-93.6	131.5	175.6	47.6	0	0	0	0	110.5	W778 G782	W778-T780 PolarHBondContact O-N 3.25Å; T780-G782 PolarHBondContact O-N 3.06Å
781	N	52.5	Low	63	Low	87 Å²	87	89.9 Å²	89.9	47%	0.465	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-77.3	123.2	174.5	-61.1	-67.1	0	0	0	110.4	R833 P835	N781-R833 PolarHBondContact ND2-O 3.2Å; N781-P835 VanDerWaalsContact OD1-CG 3.29Å; N781-P835 WeakPolarHBondContact OD1-CG 3.35Å
782	G	40	Very low	61.1	Low	42 Å²	42	89.9 Å²	89.9	43%	0.433	52%	0.523	S	S	.	.			trans	-144.3	113.4	162.5	0	0	0	0	0	110.2	T780 G784	T780-G782 PolarHBondContact O-N 3.06Å; G782-G784 PolarHBondContact O-N 3.4Å
783	P	36.3	Very low	60.1	Low	143 Å²	143	90.5 Å²	90.5	93%	0.929	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	113.3	156.4	15.3	-3.3	0	0	0	106.5
784	G	38.3	Very low	59.6	Low	68 Å²	68	91.2 Å²	91.2	70%	0.701	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	32.7	173.5	0	0	0	0	0	117.6	G782 E786	G782-G784 PolarHBondContact O-N 3.4Å; G784-E786 PolarHBondContact O-N 2.8Å
785	T	39.2	Very low	59.2	Low	100 Å²	100	87.8 Å²	87.8	61%	0.613	52%	0.521	S	S	*	.			trans	-75.7	56.9	154.3	33.5	0	0	0	0	111	G787	T785-G787 VanDerWaalsContact C-N 3.31Å; T785-G787 PolarHBondContact O-N 2.97Å; T785-G787 VanDerWaalsContact O-N 3.14Å
786	E	39.3	Very low	59.1	Low	194 Å²	194	85.3 Å²	85.3	91%	0.907	52%	0.515	S	S	*	.			trans	-70.4	92.9	153.5	-71.4	-173.4	167.4	0	0	106.4	G784	G784-E786 PolarHBondContact O-N 2.8Å
787	G	33.2	Very low	59	Low	61 Å²	61	87 Å²	87	63%	0.629	52%	0.522	S	S	*	.	S	Bend	trans	169.7	-49.1	167.7	0	0	0	0	0	118.1	T785	T785-G787 VanDerWaalsContact C-N 3.31Å; T785-G787 PolarHBondContact O-N 2.97Å; T785-G787 VanDerWaalsContact O-N 3.14Å
788	N	34.4	Very low	59	Low	166 Å²	166	85.9 Å²	85.9	89%	0.888	51%	0.51	S	S	*	.	S	Bend	trans	-156.6	45.8	-167.5	-87.7	-36.6	0	0	0	115.4
789	I	39.6	Very low	59.1	Low	113 Å²	113	84.4 Å²	84.4	58%	0.579	50%	0.504	S	S	*	.	S	Bend	trans	-129.8	106.2	151.6	-58.6	173.4	0	0	0	103.8	Q791	I789-Q791 VanDerWaalsContact C-N 3.29Å; I789-Q791 PolarHBondContact O-N 2.87Å
790	L	35.7	Very low	59.4	Low	173 Å²	173	84.9 Å²	84.9	91%	0.906	50%	0.504	S	S	*	.			trans	-60.3	93.4	177.2	-72	160	0	0	0	108.8	A792	L790-A792 PolarHBondContact O-N 2.87Å
791	Q	42.6	Very low	60.5	Low	166 Å²	166	81 Å²	81	78%	0.776	48%	0.476	S	S	*	.			trans	32.9	70	150.3	-155.2	165.8	32.4	0	0	113.4	I789 S793	I789-Q791 VanDerWaalsContact C-N 3.29Å; I789-Q791 PolarHBondContact O-N 2.87Å; Q791-S793 PolarHBondContact O-N 3.04Å
792	A	54.4	Low	62.5	Low	48 Å²	48	77.1 Å²	77.1	40%	0.397	46%	0.455	S	S	.	.			trans	-51.3	128	-179.6	0	0	0	0	0	109.1	L790 E797	L790-A792 PolarHBondContact O-N 2.87Å; A792-E797 HydrophobicContact CB-CG 4.31Å
793	S	71.5	Confident	65.2	Low	60 Å²	60	75.2 Å²	75.2	42%	0.42	44%	0.435	S	S	.	.			trans	-65.1	145.6	177.4	64	0	0	0	0	108.9	Q791 Q795 T796 E797	Q791-S793 PolarHBondContact O-N 3.04Å; S793-Q795 PolarHBondContact O-N 3.15Å; S793-T796 WeakPolarHBondContact O-CA 3.01Å; S793-T796 VanDerWaalsContact O-CB 3.32Å; S793-T796 WeakPolarHBondContact O-CB 3.4Å; S793-T796 PolarHBondContact O-N 3.5Å; S793-T796 PolarHBondContact OG-N 3.3Å; S793-T796 PolarHBondContact OG-OG1 2.89Å; S793-E797 PolarHBondContact O-N 3.37Å
794	Y	82.8	Confident	68.1	Low	20 Å²	20	68.4 Å²	68.4	8%	0.078	39%	0.391	C	S	.	.	H	α-helix	trans	-42.2	-43.6	173.1	162.4	-98	0	0	0	112.1	M419 W468 R474 T796 E797 E798	M419-Y794 PolarHBondContact SD-OH 3.36Å; W468-Y794 HydrophobicContact CB-CD1 4.03Å; W468-Y794 HydrophobicContact CB-CE1 4.12Å; W468-Y794 AromaticContact CD1-CD1 3.81Å; W468-Y794 AromaticContact CD1-CD2 3.79Å; W468-Y794 AromaticContact CD1-CG 3.44Å; W468-Y794 VanDerWaalsContact CD1-CG 3.44Å; W468-Y794 HydrophobicContact CD2-CD2 4.41Å; W468-Y794 HydrophobicContact CD2-CE2 4.4Å; W468-Y794 AromaticContact CG-CD1 3.97Å; W468-Y794 HydrophobicContact CG-CD1 3.97Å; W468-Y794 HydrophobicContact CG-CD2 4.24Å; W468-Y794 HydrophobicContact CG-CE1 4.22Å; W468-Y794 HydrophobicContact CG-CE2 4.48Å; W468-Y794 AromaticContact CG-CG 3.99Å; W468-Y794 HydrophobicContact CG-CG 3.99Å; W468-Y794 AromaticContact NE1-CD2 3.68Å; W468-Y794 AromaticContact NE1-CG 3.79Å; R474-Y794 PolarHBondContact NE-OH 3.21Å; Y794-T796 VanDerWaalsContact C-N 3.3Å; Y794-T796 PolarHBondContact O-N 3.11Å; Y794-E797 PolarHBondContact O-N 3.29Å; Y794-E798 HydrophobicContact CD1-CG 4.35Å; Y794-E798 HydrophobicContact CD2-CG 4.1Å; Y794-E798 HydrophobicContact CE1-CG 3.92Å; Y794-E798 HydrophobicContact CE2-CG 3.64Å; Y794-E798 HydrophobicContact CG-CG 4.42Å; Y794-E798 WeakPolarHBondContact O-CG 3.3Å; Y794-E798 PolarHBondContact O-N 3.43Å
795	Q	84.3	Confident	70.8	Confident	37 Å²	37	66.9 Å²	66.9	17%	0.173	37%	0.366	C	S	.	.	H	α-helix	trans	-63.4	-31.2	178.7	-61.4	-176.2	-7.4	0	0	114.1	N469 S793 L799	N469-Q795 PolarHBondContact ND2-NE2 3.4Å; N469-Q795 VanDerWaalsContact ND2-NE2 3.11Å; S793-Q795 PolarHBondContact O-N 3.15Å; Q795-L799 VanDerWaalsContact O-CB 3.29Å; Q795-L799 WeakPolarHBondContact O-CB 3.36Å; Q795-L799 PolarHBondContact O-N 3.49Å
796	T	87.9	Confident	73.5	Confident	68 Å²	68	62.1 Å²	62.1	42%	0.417	34%	0.337	S	S	.	.	H	α-helix	trans	-70.6	-41.2	175.9	-54.8	0	0	0	0	110.8	S793 Y794 L799 Q800	S793-T796 WeakPolarHBondContact O-CA 3.01Å; S793-T796 VanDerWaalsContact O-CB 3.32Å; S793-T796 WeakPolarHBondContact O-CB 3.4Å; S793-T796 PolarHBondContact O-N 3.5Å; S793-T796 PolarHBondContact OG-N 3.3Å; S793-T796 PolarHBondContact OG-OG1 2.89Å; Y794-T796 VanDerWaalsContact C-N 3.3Å; Y794-T796 PolarHBondContact O-N 3.11Å; T796-L799 PolarHBondContact O-N 3.23Å; T796-Q800 WeakPolarHBondContact O-CB 3.23Å; T796-Q800 PolarHBondContact O-N 3.06Å
797	E	88.1	Confident	76.3	Confident	72 Å²	72	52.9 Å²	52.9	34%	0.336	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-43.9	177	-64.2	-176	176.7	0	0	111.6	A792 S793 Y794 L799 Q800 R801	A792-E797 HydrophobicContact CB-CG 4.31Å; S793-E797 PolarHBondContact O-N 3.37Å; Y794-E797 PolarHBondContact O-N 3.29Å; E797-L799 VanDerWaalsContact C-N 3.35Å; E797-L799 PolarHBondContact O-N 3.32Å; E797-Q800 PolarHBondContact O-N 2.9Å; E797-R801 WeakPolarHBondContact O-CB 2.98Å; E797-R801 PolarHBondContact O-N 3.29Å
798	E	89.8	Confident	79.3	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-42.1	176.1	-67.9	-63.5	122.8	0	0	111.6	S415 R474 F735 Y794 R801 E802	S415-E798 PolarHBondContact OG-OE1 2.83Å; R474-E798 IonicContact CZ-OE2 3.87Å; R474-E798 IonicContact NH2-OE2 2.8Å; R474-E798 PolarHBondContact NH2-OE2 3.49Å; F735-E798 HydrophobicContact CD1-CB 4.45Å; F735-E798 HydrophobicContact CD2-CB 3.61Å; F735-E798 HydrophobicContact CE2-CB 3.84Å; F735-E798 HydrophobicContact CG-CB 3.95Å; F735-E798 HydrophobicContact CZ-CB 4.38Å; Y794-E798 HydrophobicContact CD1-CG 4.35Å; Y794-E798 HydrophobicContact CD2-CG 4.1Å; Y794-E798 HydrophobicContact CE1-CG 3.92Å; Y794-E798 HydrophobicContact CE2-CG 3.64Å; Y794-E798 HydrophobicContact CG-CG 4.42Å; Y794-E798 WeakPolarHBondContact O-CG 3.3Å; Y794-E798 PolarHBondContact O-N 3.43Å; E798-R801 PolarHBondContact O-N 3.19Å; E798-E802 WeakPolarHBondContact O-CB 2.84Å; E798-E802 PolarHBondContact O-N 2.92Å
799	L	93.3	Very high	82.1	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-42.3	175.4	178.2	56.4	0	0	0	112.3	T733 F735 W738 M776 Q795 T796 E797 R801 E802 L803	T733-L799 WeakPolarHBondContact O-CD2 3.31Å; F735-L799 HydrophobicContact CB-CB 4.07Å; W738-L799 HydrophobicContact CB-CD1 3.68Å; W738-L799 HydrophobicContact CD2-CD1 4.35Å; W738-L799 HydrophobicContact CG-CD1 3.5Å; M776-L799 HydrophobicContact CE-CB 4.36Å; M776-L799 HydrophobicContact CE-CD1 4.38Å; M776-L799 HydrophobicContact CE-CD2 3.22Å; M776-L799 HydrophobicContact CE-CG 3.38Å; M776-L799 HydrophobicContact SD-CD2 4.38Å; M776-L799 HydrophobicContact SD-CG 4.01Å; Q795-L799 VanDerWaalsContact O-CB 3.29Å; Q795-L799 WeakPolarHBondContact O-CB 3.36Å; Q795-L799 PolarHBondContact O-N 3.49Å; T796-L799 PolarHBondContact O-N 3.23Å; E797-L799 VanDerWaalsContact C-N 3.35Å; E797-L799 PolarHBondContact O-N 3.32Å; L799-R801 VanDerWaalsContact C-N 3.31Å; L799-R801 PolarHBondContact O-N 2.72Å; L799-E802 PolarHBondContact O-N 3.25Å; L799-L803 HydrophobicContact CD1-CD1 4.06Å; L799-L803 HydrophobicContact CD1-CG 4.07Å; L799-L803 HydrophobicContact CG-CD1 4.15Å; L799-L803 WeakPolarHBondContact O-CG 3.31Å; L799-L803 PolarHBondContact O-N 3.45Å
800	Q	93.9	Very high	84.7	Confident	38 Å²	38	40.1 Å²	40.1	18%	0.178	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-46.8	175.2	-179.3	-178.9	57.6	0	0	110.6	M776 G777 T796 E797 L803 I804	M776-Q800 HydrophobicContact CB-CG 4.35Å; M776-Q800 PolarHBondContact O-NE2 3.37Å; M776-Q800 HydrophobicContact SD-CB 4.02Å; G777-Q800 PolarHBondContact O-NE2 3.47Å; T796-Q800 WeakPolarHBondContact O-CB 3.23Å; T796-Q800 PolarHBondContact O-N 3.06Å; E797-Q800 PolarHBondContact O-N 2.9Å; Q800-L803 PolarHBondContact O-N 3.04Å; Q800-I804 HydrophobicContact CG-CD1 3.92Å; Q800-I804 VanDerWaalsContact O-CG1 3.3Å; Q800-I804 WeakPolarHBondContact O-CG1 3.49Å; Q800-I804 PolarHBondContact O-N 3.04Å
801	R	93.6	Very high	87.5	Confident	38 Å²	38	33.6 Å²	33.6	14%	0.143	19%	0.191	C	C	.	.	H	α-helix	trans	-60.8	-45.9	177.1	-173.5	-173.5	172	-77.9	2	111.9	E797 E798 L799 L803 I804 M805 N837 D840 I841	E797-R801 WeakPolarHBondContact O-CB 2.98Å; E797-R801 PolarHBondContact O-N 3.29Å; E798-R801 PolarHBondContact O-N 3.19Å; L799-R801 VanDerWaalsContact C-N 3.31Å; L799-R801 PolarHBondContact O-N 2.72Å; R801-L803 VanDerWaalsContact C-N 3.33Å; R801-L803 PolarHBondContact O-N 3.1Å; R801-I804 PolarHBondContact O-N 3.23Å; R801-M805 VanDerWaalsContact CZ-CE 3.48Å; R801-M805 VanDerWaalsContact NH1-CE 3.29Å; R801-M805 WeakPolarHBondContact O-CB 3.36Å; R801-M805 PolarHBondContact O-N 3.47Å; R801-N837 WeakPolarHBondContact CD-O 3.46Å; R801-N837 WeakPolarHBondContact CG-O 3.49Å; R801-N837 PolarHBondContact NE-O 2.84Å; R801-N837 VanDerWaalsContact NE-O 3.15Å; R801-D840 IonicContact CZ-OD2 3.97Å; R801-D840 IonicContact NH2-OD1 2.66Å; R801-D840 IonicContact NH2-OD2 2.95Å; R801-D840 PolarHBondContact NH2-OD2 3.26Å; R801-I841 HydrophobicContact CG-CD1 4.1Å
802	E	95.1	Very high	90	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.033	16%	0.161	C	C	.	.	H	α-helix	trans	-57	-45.2	178.4	-169.5	66.6	-131.3	0	0	111.7	F735 H739 S742 E798 L799 M805 L806	F735-E802 HydrophobicContact CE2-CB 4.47Å; H739-E802 IonicContact CE1-OE2 3.71Å; H739-E802 IonicContact CG-OE2 2.73Å; H739-E802 IonicContact ND1-OE2 3.8Å; H739-E802 PolarHBondContact ND1-OE2 2.98Å; S742-E802 WeakPolarHBondContact CB-OE1 3.35Å; S742-E802 PolarHBondContact OG-OE1 2.8Å; E798-E802 WeakPolarHBondContact O-CB 2.84Å; E798-E802 PolarHBondContact O-N 2.92Å; L799-E802 PolarHBondContact O-N 3.25Å; E802-M805 PolarHBondContact O-N 3.3Å; E802-L806 PolarHBondContact O-N 3.13Å
803	L	96.3	Very high	92	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-68	-39.7	179	-68.3	169	0	0	0	112.8	W738 V769 R772 M776 L799 Q800 R801 M805 A807	W738-L803 HydrophobicContact CD2-CD2 3.95Å; W738-L803 HydrophobicContact CE3-CD2 3.9Å; W738-L803 HydrophobicContact CH2-CD2 3.82Å; W738-L803 HydrophobicContact CZ2-CD2 3.84Å; W738-L803 HydrophobicContact CZ3-CD2 3.85Å; V769-L803 HydrophobicContact CG1-CD2 4.12Å; R772-L803 HydrophobicContact CB-CD1 3.86Å; R772-L803 HydrophobicContact CB-CD2 4.21Å; R772-L803 HydrophobicContact CG-CD1 3.49Å; R772-L803 VanDerWaalsContact CG-CD1 3.49Å; R772-L803 HydrophobicContact CG-CD2 4.49Å; M776-L803 HydrophobicContact CE-CD1 3.56Å; M776-L803 HydrophobicContact CG-CD1 4.27Å; M776-L803 HydrophobicContact SD-CD1 3.62Å; L799-L803 HydrophobicContact CD1-CD1 4.06Å; L799-L803 HydrophobicContact CD1-CG 4.07Å; L799-L803 HydrophobicContact CG-CD1 4.15Å; L799-L803 WeakPolarHBondContact O-CG 3.31Å; L799-L803 PolarHBondContact O-N 3.45Å; Q800-L803 PolarHBondContact O-N 3.04Å; R801-L803 VanDerWaalsContact C-N 3.33Å; R801-L803 PolarHBondContact O-N 3.1Å; L803-M805 VanDerWaalsContact C-N 3.34Å; L803-A807 VanDerWaalsContact O-CB 3.25Å; L803-A807 WeakPolarHBondContact O-CB 3.36Å; L803-A807 PolarHBondContact O-N 3.32Å
804	I	96.6	Very high	93.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-44.5	174.5	-68.2	167.8	0	0	0	109.8	Y773 W778 Q800 R801 A807 C808 C815 I838 I841	Y773-I804 HydrophobicContact CD2-CG1 4.44Å; Y773-I804 HydrophobicContact CE2-CG1 4.14Å; W778-I804 HydrophobicContact CD2-CD1 4.09Å; W778-I804 HydrophobicContact CE3-CD1 4.38Å; W778-I804 HydrophobicContact CG-CD1 4.23Å; W778-I804 HydrophobicContact CH2-CG2 3.72Å; W778-I804 HydrophobicContact CZ2-CG2 3.68Å; W778-I804 HydrophobicContact CZ3-CG2 4.16Å; Q800-I804 HydrophobicContact CG-CD1 3.92Å; Q800-I804 VanDerWaalsContact O-CG1 3.3Å; Q800-I804 WeakPolarHBondContact O-CG1 3.49Å; Q800-I804 PolarHBondContact O-N 3.04Å; R801-I804 PolarHBondContact O-N 3.23Å; I804-A807 PolarHBondContact O-N 3.27Å; I804-C808 WeakPolarHBondContact O-CB 3.27Å; I804-C808 PolarHBondContact O-N 3.49Å; I804-C815 PolarHBondContact O-SG 2.86Å; I804-C815 VanDerWaalsContact O-SG 3.33Å; I804-I838 HydrophobicContact CD1-CG2 4.06Å; I804-I841 HydrophobicContact CB-CD1 4.48Å; I804-I841 HydrophobicContact CG2-CD1 4.06Å; I804-I841 HydrophobicContact CG2-CG2 4.18Å
805	M	95.6	Very high	93.7	Very high	35 Å²	35	33 Å²	33	17%	0.172	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-47.9	179.3	-171	-176.6	-85	0	0	111.7	Y746 R801 E802 L803 C808 S809 I841	Y746-M805 WeakPolarHBondContact OH-CG 3.4Å; R801-M805 VanDerWaalsContact CZ-CE 3.48Å; R801-M805 VanDerWaalsContact NH1-CE 3.29Å; R801-M805 WeakPolarHBondContact O-CB 3.36Å; R801-M805 PolarHBondContact O-N 3.47Å; E802-M805 PolarHBondContact O-N 3.3Å; L803-M805 VanDerWaalsContact C-N 3.34Å; M805-C808 PolarHBondContact O-N 2.63Å; M805-S809 VanDerWaalsContact O-CB 3.26Å; M805-S809 WeakPolarHBondContact O-CB 3.27Å; M805-S809 PolarHBondContact O-N 2.92Å; M805-S809 PolarHBondContact O-OG 2.82Å; M805-I841 HydrophobicContact CB-CD1 3.83Å; M805-I841 HydrophobicContact CB-CG1 4.41Å; M805-I841 HydrophobicContact CE-CD1 4.32Å; M805-I841 HydrophobicContact CE-CG1 4.16Å; M805-I841 HydrophobicContact CG-CD1 4.43Å
806	L	96.3	Very high	94.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-46.8	175.4	-77.6	170.3	0	0	0	111.4	W738 Y746 V769 E802 C808 S809 F810	W738-L806 HydrophobicContact CE3-CD1 4.22Å; W738-L806 HydrophobicContact CZ3-CD1 4.34Å; Y746-L806 HydrophobicContact CE1-CD2 4.46Å; Y746-L806 HydrophobicContact CE2-CD2 4.13Å; V769-L806 HydrophobicContact CG1-CB 4.45Å; V769-L806 HydrophobicContact CG2-CB 3.92Å; V769-L806 HydrophobicContact CG2-CD1 4Å; E802-L806 PolarHBondContact O-N 3.13Å; L806-C808 PolarHBondContact O-N 2.96Å; L806-S809 PolarHBondContact O-N 2.86Å; L806-F810 HydrophobicContact CD2-CD2 4.27Å; L806-F810 HydrophobicContact CD2-CE2 3.94Å; L806-F810 WeakPolarHBondContact O-CB 3.4Å; L806-F810 WeakPolarHBondContact O-CD2 3.06Å; L806-F810 PolarHBondContact O-N 3.42Å; L806-F810 VanDerWaalsContact O-N 3.1Å
807	A	96.9	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-46.8	179.9	0	0	0	0	0	111.7	V769 Y773 L803 I804 G811 N812 C815	V769-A807 HydrophobicContact CG1-CB 4.18Å; Y773-A807 HydrophobicContact CD2-CB 3.7Å; Y773-A807 HydrophobicContact CE2-CB 3.77Å; Y773-A807 HydrophobicContact CG-CB 4.19Å; L803-A807 VanDerWaalsContact O-CB 3.25Å; L803-A807 WeakPolarHBondContact O-CB 3.36Å; L803-A807 PolarHBondContact O-N 3.32Å; I804-A807 PolarHBondContact O-N 3.27Å; A807-G811 PolarHBondContact O-N 3.3Å; A807-N812 HydrophobicContact CB-CB 3.89Å; A807-N812 WeakPolarHBondContact O-CA 3.45Å; A807-N812 WeakPolarHBondContact O-CB 3.35Å; A807-N812 PolarHBondContact O-N 2.92Å; A807-C815 HydrophobicContact CB-CB 4.12Å
808	C	96.2	Very high	95.1	Very high	6 Å²	6	39 Å²	39	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-70.1	-42.7	-179	-85.3	0	0	0	0	112.3	I804 M805 L806 F810 G811 C815 H816 I841	I804-C808 WeakPolarHBondContact O-CB 3.27Å; I804-C808 PolarHBondContact O-N 3.49Å; M805-C808 PolarHBondContact O-N 2.63Å; L806-C808 PolarHBondContact O-N 2.96Å; C808-F810 VanDerWaalsContact C-N 3.31Å; C808-F810 PolarHBondContact O-N 2.92Å; C808-G811 PolarHBondContact O-N 3.43Å; C808-C815 WeakPolarHBondContact CA-SG 3.48Å; C808-C815 HydrophobicContact CB-CB 4.13Å; C808-C815 WeakPolarHBondContact CB-SG 3.12Å; C808-C815 PolarHBondContact N-SG 3.44Å; C808-C815 WeakPolarHBondContact SG-CB 3.27Å; C808-C815 CovalentContact SG-SG 2.03Å; C808-C815 PolarHBondContact SG-SG 2.79Å; C808-H816 PolarHBondContact O-NE2 2.91Å; C808-I841 HydrophobicContact CB-CG2 4.01Å
809	S	93.8	Very high	95.4	Very high	62 Å²	62	38.8 Å²	38.8	43%	0.434	19%	0.187	S	C	.	.	H	α-helix	trans	-63.3	-37.1	-179	-56	0	0	0	0	112.3	M805 L806 G811	M805-S809 VanDerWaalsContact O-CB 3.26Å; M805-S809 WeakPolarHBondContact O-CB 3.27Å; M805-S809 PolarHBondContact O-N 2.92Å; M805-S809 PolarHBondContact O-OG 2.82Å; L806-S809 PolarHBondContact O-N 2.86Å; S809-G811 VanDerWaalsContact C-N 3.33Å; S809-G811 PolarHBondContact O-N 3.44Å
810	F	94.8	Very high	95.5	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.018	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	18.2	179.1	-73.2	-85.4	0	0	0	113.9	Y746 D749 F761 S762 V765 L766 L806 C808	Y746-F810 HydrophobicContact CD1-CE2 4.41Å; Y746-F810 HydrophobicContact CE1-CE2 4.12Å; D749-F810 HydrophobicContact CB-CE1 4.4Å; D749-F810 HydrophobicContact CB-CZ 4.06Å; F761-F810 HydrophobicContact CD1-CE1 4.07Å; F761-F810 AromaticContact CE1-CE1 3.56Å; F761-F810 HydrophobicContact CE1-CE1 3.56Å; F761-F810 AromaticContact CE1-CZ 3.99Å; F761-F810 HydrophobicContact CE1-CZ 3.99Å; F761-F810 HydrophobicContact CZ-CE1 4.2Å; F761-F810 HydrophobicContact CZ-CZ 4.31Å; S762-F810 PolarHBondContact OG-O 3.06Å; V765-F810 HydrophobicContact CB-CD1 4.04Å; V765-F810 HydrophobicContact CB-CD2 4.39Å; V765-F810 HydrophobicContact CB-CE1 4.2Å; V765-F810 HydrophobicContact CB-CG 4.12Å; V765-F810 HydrophobicContact CB-CZ 4.45Å; V765-F810 HydrophobicContact CG1-CB 4.43Å; V765-F810 HydrophobicContact CG1-CD1 4.16Å; V765-F810 HydrophobicContact CG1-CD2 3.61Å; V765-F810 HydrophobicContact CG1-CE1 4.31Å; V765-F810 HydrophobicContact CG1-CE2 3.81Å; V765-F810 HydrophobicContact CG1-CG 3.79Å; V765-F810 HydrophobicContact CG1-CZ 4.14Å; V765-F810 HydrophobicContact CG2-CD1 4.26Å; V765-F810 HydrophobicContact CG2-CE1 3.93Å; V765-F810 HydrophobicContact CG2-CZ 4.1Å; L766-F810 WeakPolarHBondContact CD1-O 3.36Å; L766-F810 HydrophobicContact CD2-CB 3.88Å; L766-F810 HydrophobicContact CG-CB 4.11Å; L806-F810 HydrophobicContact CD2-CD2 4.27Å; L806-F810 HydrophobicContact CD2-CE2 3.94Å; L806-F810 WeakPolarHBondContact O-CB 3.4Å; L806-F810 WeakPolarHBondContact O-CD2 3.06Å; L806-F810 PolarHBondContact O-N 3.42Å; L806-F810 VanDerWaalsContact O-N 3.1Å; C808-F810 VanDerWaalsContact C-N 3.31Å; C808-F810 PolarHBondContact O-N 2.92Å
811	G	93.1	Very high	95.6	Very high	35 Å²	35	41.3 Å²	41.3	36%	0.361	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	24.4	168.1	0	0	0	0	0	116.1	A807 C808 S809 K813	A807-G811 PolarHBondContact O-N 3.3Å; C808-G811 PolarHBondContact O-N 3.43Å; S809-G811 VanDerWaalsContact C-N 3.33Å; S809-G811 PolarHBondContact O-N 3.44Å; G811-K813 PolarHBondContact O-N 3.46Å; G811-K813 VanDerWaalsContact O-N 3.16Å
812	N	96.2	Very high	95.8	Very high	25 Å²	25	41.1 Å²	41.1	13%	0.134	21%	0.21	C	C	.	.			trans	-63.4	117.8	176.1	-175.4	-75.5	0	0	0	111.1	L766 A807 Q814 C815 H816	L766-N812 HydrophobicContact CD2-CB 3.81Å; A807-N812 HydrophobicContact CB-CB 3.89Å; A807-N812 WeakPolarHBondContact O-CA 3.45Å; A807-N812 WeakPolarHBondContact O-CB 3.35Å; A807-N812 PolarHBondContact O-N 2.92Å; N812-Q814 VanDerWaalsContact C-N 3.29Å; N812-Q814 PolarHBondContact O-N 2.88Å; N812-Q814 WeakPolarHBondContact OD1-CA 3.25Å; N812-Q814 WeakPolarHBondContact OD1-CB 3.42Å; N812-Q814 PolarHBondContact OD1-N 3.43Å; N812-C815 HydrophobicContact CB-CB 3.87Å; N812-C815 WeakPolarHBondContact O-CB 3.38Å; N812-C815 PolarHBondContact O-N 3.26Å; N812-C815 VanDerWaalsContact O-N 3.12Å; N812-C815 PolarHBondContact OD1-N 3.4Å; N812-H816 PolarHBondContact O-N 3.02Å
813	K	95	Very high	95.8	Very high	159 Å²	159	40.8 Å²	40.8	69%	0.691	21%	0.209	S	C	*	.	H	α-helix	trans	-60.1	-33.4	-176.6	-63.8	-177.3	-178.3	177.8	0	114	G811 R817	G811-K813 PolarHBondContact O-N 3.46Å; G811-K813 VanDerWaalsContact O-N 3.16Å; K813-R817 WeakPolarHBondContact O-CB 3.32Å; K813-R817 WeakPolarHBondContact O-CG 3.48Å; K813-R817 PolarHBondContact O-N 3.37Å; K813-R817 VanDerWaalsContact O-N 3.09Å
814	Q	95	Very high	95.8	Very high	97 Å²	97	43 Å²	43	45%	0.453	22%	0.224	S	C	.	.	H	α-helix	trans	-73.4	-41.7	177.7	-175.8	179	-9.5	0	0	110.7	H774 N812 R817 Q818	H774-Q814 PolarHBondContact NE2-OE1 3.42Å; N812-Q814 VanDerWaalsContact C-N 3.29Å; N812-Q814 PolarHBondContact O-N 2.88Å; N812-Q814 WeakPolarHBondContact OD1-CA 3.25Å; N812-Q814 WeakPolarHBondContact OD1-CB 3.42Å; N812-Q814 PolarHBondContact OD1-N 3.43Å; Q814-R817 PolarHBondContact O-N 2.95Å; Q814-Q818 WeakPolarHBondContact O-CB 3.43Å; Q814-Q818 PolarHBondContact O-N 3.09Å
815	C	96.5	Very high	95.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-50	175	-158.1	0	0	0	0	110.9	Y773 W778 I804 A807 C808 N812 R817 Q818 A819	Y773-C815 HydrophobicContact CE2-CB 4.5Å; Y773-C815 VanDerWaalsContact OH-CA 3.3Å; Y773-C815 WeakPolarHBondContact OH-CA 3.33Å; Y773-C815 PolarHBondContact OH-N 3.14Å; W778-C815 HydrophobicContact CZ2-CB 4.4Å; W778-C815 VanDerWaalsContact CZ2-SG 3.56Å; I804-C815 PolarHBondContact O-SG 2.86Å; I804-C815 VanDerWaalsContact O-SG 3.33Å; A807-C815 HydrophobicContact CB-CB 4.12Å; C808-C815 WeakPolarHBondContact CA-SG 3.48Å; C808-C815 HydrophobicContact CB-CB 4.13Å; C808-C815 WeakPolarHBondContact CB-SG 3.12Å; C808-C815 PolarHBondContact N-SG 3.44Å; C808-C815 WeakPolarHBondContact SG-CB 3.27Å; C808-C815 CovalentContact SG-SG 2.03Å; C808-C815 PolarHBondContact SG-SG 2.79Å; N812-C815 HydrophobicContact CB-CB 3.87Å; N812-C815 WeakPolarHBondContact O-CB 3.38Å; N812-C815 PolarHBondContact O-N 3.26Å; N812-C815 VanDerWaalsContact O-N 3.12Å; N812-C815 PolarHBondContact OD1-N 3.4Å; C815-R817 PolarHBondContact O-N 2.99Å; C815-Q818 PolarHBondContact O-N 3.04Å; C815-A819 PolarHBondContact O-N 2.77Å
816	H	96.6	Very high	95.7	Very high	45 Å²	45	44.4 Å²	44.4	21%	0.208	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-47.8	176.7	-72.1	-173.4	0	0	0	113	C808 N812 Q818 A819 V820 L849	C808-H816 PolarHBondContact O-NE2 2.91Å; N812-H816 PolarHBondContact O-N 3.02Å; H816-Q818 VanDerWaalsContact C-N 3.29Å; H816-Q818 PolarHBondContact O-N 3.12Å; H816-A819 PolarHBondContact O-N 2.95Å; H816-V820 WeakPolarHBondContact O-CB 3.43Å; H816-V820 VanDerWaalsContact O-CG2 3.29Å; H816-V820 WeakPolarHBondContact O-CG2 3.28Å; H816-V820 PolarHBondContact O-N 3.13Å; H816-L849 HydrophobicContact CB-CD1 3.61Å
817	R	96.4	Very high	95.7	Very high	187 Å²	187	47.4 Å²	47.4	71%	0.706	25%	0.247	S	C	*	.	H	α-helix	trans	-59.7	-40.7	176.8	-75.9	173.8	-170.3	174.6	2.6	112.1	K813 Q814 C815 A821	K813-R817 WeakPolarHBondContact O-CB 3.32Å; K813-R817 WeakPolarHBondContact O-CG 3.48Å; K813-R817 PolarHBondContact O-N 3.37Å; K813-R817 VanDerWaalsContact O-N 3.09Å; Q814-R817 PolarHBondContact O-N 2.95Å; C815-R817 PolarHBondContact O-N 2.99Å; R817-A821 WeakPolarHBondContact O-CB 3.28Å; R817-A821 PolarHBondContact O-N 3.27Å
818	Q	95.9	Very high	95.6	Very high	71 Å²	71	52 Å²	52	33%	0.332	28%	0.279	S	S	.	.	H	α-helix	trans	-69	-44.7	-179.6	-170.9	62.6	25	0	0	111.6	W778 Q814 C815 H816 V820 A821 Y822	W778-Q818 HydrophobicContact CD2-CB 4.4Å; W778-Q818 HydrophobicContact CD2-CG 3.64Å; W778-Q818 HydrophobicContact CE3-CG 4.01Å; W778-Q818 HydrophobicContact CG-CG 3.98Å; W778-Q818 HydrophobicContact CH2-CB 4.48Å; W778-Q818 HydrophobicContact CH2-CG 4.42Å; W778-Q818 HydrophobicContact CZ2-CB 3.93Å; W778-Q818 HydrophobicContact CZ2-CG 4.05Å; W778-Q818 HydrophobicContact CZ3-CG 4.39Å; Q814-Q818 WeakPolarHBondContact O-CB 3.43Å; Q814-Q818 PolarHBondContact O-N 3.09Å; C815-Q818 PolarHBondContact O-N 3.04Å; H816-Q818 VanDerWaalsContact C-N 3.29Å; H816-Q818 PolarHBondContact O-N 3.12Å; Q818-V820 PolarHBondContact O-N 3.2Å; Q818-A821 WeakPolarHBondContact O-CB 3.23Å; Q818-A821 PolarHBondContact O-N 2.98Å; Q818-Y822 HydrophobicContact CG-CD2 4Å; Q818-Y822 HydrophobicContact CG-CE2 3.75Å; Q818-Y822 VanDerWaalsContact NE2-CE2 3.26Å; Q818-Y822 VanDerWaalsContact O-CD2 3.27Å; Q818-Y822 WeakPolarHBondContact O-CD2 3.14Å; Q818-Y822 PolarHBondContact O-N 2.76Å
819	A	96.3	Very high	95.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.7	-45.1	175	0	0	0	0	0	111.8	W778 C815 H816 A821 Y822 I823 V842 T845	W778-A819 HydrophobicContact CH2-CB 4.3Å; C815-A819 PolarHBondContact O-N 2.77Å; H816-A819 PolarHBondContact O-N 2.95Å; A819-A821 VanDerWaalsContact C-N 3.32Å; A819-A821 PolarHBondContact O-N 3.15Å; A819-Y822 PolarHBondContact O-N 3.15Å; A819-I823 PolarHBondContact O-N 3.12Å; A819-V842 HydrophobicContact CB-CG2 4.44Å; A819-T845 HydrophobicContact CB-CG2 3.64Å
820	V	96.4	Very high	95.4	Very high	43 Å²	43	55.6 Å²	55.6	26%	0.261	30%	0.296	S	S	.	.	H	α-helix	trans	-61.4	-39.4	175.5	169.8	0	0	0	0	111.6	H816 Q818 I823 S824 L849 M850	H816-V820 WeakPolarHBondContact O-CB 3.43Å; H816-V820 VanDerWaalsContact O-CG2 3.29Å; H816-V820 WeakPolarHBondContact O-CG2 3.28Å; H816-V820 PolarHBondContact O-N 3.13Å; Q818-V820 PolarHBondContact O-N 3.2Å; V820-I823 WeakPolarHBondContact O-CG2 3.12Å; V820-S824 WeakPolarHBondContact O-CB 3.37Å; V820-S824 PolarHBondContact O-N 3.21Å; V820-S824 PolarHBondContact O-OG 3.47Å; V820-L849 HydrophobicContact CG2-CB 4.41Å; V820-L849 HydrophobicContact CG2-CD1 4.15Å; V820-M850 HydrophobicContact CG1-CE 4.49Å; V820-M850 HydrophobicContact CG1-SD 4.03Å; V820-M850 HydrophobicContact CG2-CG 4.32Å; V820-M850 HydrophobicContact CG2-SD 4.32Å
821	A	95.9	Very high	95.2	Very high	51 Å²	51	61.9 Å²	61.9	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-63.8	-44.2	176.6	0	0	0	0	0	111.9	R817 Q818 A819 S824 D825	R817-A821 WeakPolarHBondContact O-CB 3.28Å; R817-A821 PolarHBondContact O-N 3.27Å; Q818-A821 WeakPolarHBondContact O-CB 3.23Å; Q818-A821 PolarHBondContact O-N 2.98Å; A819-A821 VanDerWaalsContact C-N 3.32Å; A819-A821 PolarHBondContact O-N 3.15Å; A821-S824 PolarHBondContact O-N 3.47Å; A821-D825 PolarHBondContact O-N 3.49Å
822	Y	96.3	Very high	95.1	Very high	34 Å²	34	62.4 Å²	62.4	13%	0.133	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-49.7	177	-89	-61.6	0	0	0	112.8	W778 P779 Q818 A819 S824 D825 W826 I834 I838 V842	W778-Y822 HydrophobicContact CD2-CE2 4.32Å; W778-Y822 HydrophobicContact CE3-CD2 4.12Å; W778-Y822 AromaticContact CE3-CE2 3.55Å; W778-Y822 HydrophobicContact CE3-CE2 3.55Å; W778-Y822 HydrophobicContact CZ3-CD2 4.06Å; W778-Y822 AromaticContact CZ3-CE2 3.97Å; W778-Y822 HydrophobicContact CZ3-CE2 3.97Å; P779-Y822 PolarHBondContact O-OH 3.34Å; Q818-Y822 HydrophobicContact CG-CD2 4Å; Q818-Y822 HydrophobicContact CG-CE2 3.75Å; Q818-Y822 VanDerWaalsContact NE2-CE2 3.26Å; Q818-Y822 VanDerWaalsContact O-CD2 3.27Å; Q818-Y822 WeakPolarHBondContact O-CD2 3.14Å; Q818-Y822 PolarHBondContact O-N 2.76Å; A819-Y822 PolarHBondContact O-N 3.15Å; Y822-S824 VanDerWaalsContact C-N 3.32Å; Y822-S824 PolarHBondContact O-N 3.26Å; Y822-D825 PolarHBondContact O-N 3.43Å; Y822-W826 PolarHBondContact O-N 2.99Å; Y822-I834 HydrophobicContact CD1-CG1 4.05Å; Y822-I834 HydrophobicContact CG-CG1 4.27Å; Y822-I838 HydrophobicContact CE2-CD1 4.47Å; Y822-V842 HydrophobicContact CD2-CG2 4.31Å
823	I	95.6	Very high	94.9	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-68.7	-34.5	-178.7	-160.4	162.1	0	0	0	111.5	A819 V820 W826 I827 V842 M850 V854 I858	A819-I823 PolarHBondContact O-N 3.12Å; V820-I823 WeakPolarHBondContact O-CG2 3.12Å; I823-W826 PolarHBondContact O-N 3.05Å; I823-I827 HydrophobicContact CG1-CD1 4.2Å; I823-I827 VanDerWaalsContact O-CG1 3.28Å; I823-I827 WeakPolarHBondContact O-CG1 3.37Å; I823-I827 PolarHBondContact O-N 2.99Å; I823-V842 HydrophobicContact CB-CG1 4.29Å; I823-M850 HydrophobicContact CG2-SD 3.43Å; I823-M850 WeakPolarHBondContact CG2-SD 3.31Å; I823-V854 HydrophobicContact CD1-CG1 3.65Å; I823-V854 HydrophobicContact CG1-CG1 4.35Å; I823-I858 HydrophobicContact CD1-CD1 4.36Å
824	S	95.8	Very high	94.8	Very high	46 Å²	46	60.1 Å²	60.1	32%	0.322	30%	0.303	S	S	.	.	H	α-helix	trans	-66	-40	174.5	-60.7	0	0	0	0	112.5	V820 A821 Y822 W826 S828	V820-S824 WeakPolarHBondContact O-CB 3.37Å; V820-S824 PolarHBondContact O-N 3.21Å; V820-S824 PolarHBondContact O-OG 3.47Å; A821-S824 PolarHBondContact O-N 3.47Å; Y822-S824 VanDerWaalsContact C-N 3.32Å; Y822-S824 PolarHBondContact O-N 3.26Å; S824-W826 VanDerWaalsContact C-N 3.33Å; S824-S828 WeakPolarHBondContact O-CB 3.35Å; S824-S828 PolarHBondContact O-N 2.88Å; S824-S828 PolarHBondContact O-OG 2.73Å
825	D	95.7	Very high	94.7	Very high	58 Å²	58	56 Å²	56	31%	0.31	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-42	172.4	-177.1	60.6	0	0	0	110.8	A821 Y822 S828 S829 R833	A821-D825 PolarHBondContact O-N 3.49Å; Y822-D825 PolarHBondContact O-N 3.43Å; D825-S828 PolarHBondContact O-N 3.17Å; D825-S828 PolarHBondContact O-OG 2.78Å; D825-S829 VanDerWaalsContact O-CB 3.23Å; D825-S829 WeakPolarHBondContact O-CB 3.16Å; D825-S829 PolarHBondContact O-N 3Å; D825-S829 PolarHBondContact O-OG 3.08Å; D825-R833 IonicContact OD1-NH1 3.24Å; D825-R833 WeakPolarHBondContact OD2-CD 3.39Å; D825-R833 IonicContact OD2-NH1 3.67Å
826	W	95.7	Very high	94.4	Very high	9 Å²	9	57.9 Å²	57.9	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-47.9	177.3	-177.5	22.1	0	0	0	112.2	Y822 I823 S824 S828 N830 N832 I834 Y843 F857 I858 K861 L874	Y822-W826 PolarHBondContact O-N 2.99Å; I823-W826 PolarHBondContact O-N 3.05Å; S824-W826 VanDerWaalsContact C-N 3.33Å; W826-S828 PolarHBondContact O-N 3.13Å; W826-N830 WeakPolarHBondContact O-CA 3.35Å; W826-N830 PolarHBondContact O-N 3.47Å; W826-N832 VanDerWaalsContact CD1-N 3.3Å; W826-N832 HydrophobicContact CD2-CB 4.21Å; W826-N832 HydrophobicContact CG-CB 4.28Å; W826-N832 HydrophobicContact CZ2-CB 4.17Å; W826-I834 HydrophobicContact CB-CD1 4.37Å; W826-I834 HydrophobicContact CE3-CD1 4.14Å; W826-Y843 HydrophobicContact CE3-CD1 4.27Å; W826-Y843 AromaticContact CE3-CE1 3.58Å; W826-Y843 HydrophobicContact CE3-CE1 3.58Å; W826-Y843 HydrophobicContact CH2-CE1 4.07Å; W826-Y843 AromaticContact CH2-CZ 3.97Å; W826-Y843 AromaticContact CZ3-CD1 3.81Å; W826-Y843 HydrophobicContact CZ3-CD1 3.81Å; W826-Y843 AromaticContact CZ3-CE1 3.19Å; W826-Y843 HydrophobicContact CZ3-CE1 3.19Å; W826-Y843 HydrophobicContact CZ3-CE2 4.4Å; W826-Y843 AromaticContact CZ3-CZ 3.57Å; W826-F857 AromaticContact CD2-CE1 3.68Å; W826-F857 HydrophobicContact CD2-CE1 3.68Å; W826-F857 AromaticContact CD2-CZ 3.92Å; W826-F857 HydrophobicContact CD2-CZ 3.92Å; W826-F857 AromaticContact CE2-CE1 3.81Å; W826-F857 AromaticContact CE2-CZ 3.77Å; W826-F857 AromaticContact CE3-CE1 3.65Å; W826-F857 HydrophobicContact CE3-CE1 3.65Å; W826-F857 HydrophobicContact CE3-CZ 4.36Å; W826-F857 HydrophobicContact CG-CE1 4.33Å; W826-F857 HydrophobicContact CG-CZ 4.24Å; W826-F857 AromaticContact CH2-CE1 3.96Å; W826-F857 HydrophobicContact CH2-CE1 3.96Å; W826-F857 AromaticContact CZ2-CE1 3.99Å; W826-F857 HydrophobicContact CZ2-CE1 3.99Å; W826-F857 HydrophobicContact CZ2-CZ 4.16Å; W826-F857 AromaticContact CZ3-CE1 3.78Å; W826-F857 HydrophobicContact CZ3-CE1 3.78Å; W826-F857 AromaticContact NE1-CZ 3.96Å; W826-I858 HydrophobicContact CH2-CD1 4.21Å; W826-I858 HydrophobicContact CZ3-CD1 3.61Å; W826-K861 HydrophobicContact CH2-CB 4.19Å; W826-K861 HydrophobicContact CH2-CD 4.46Å; W826-K861 HydrophobicContact CH2-CG 3.85Å; W826-K861 HydrophobicContact CZ2-CB 4.39Å; W826-K861 HydrophobicContact CZ2-CD 3.85Å; W826-K861 HydrophobicContact CZ2-CG 3.72Å; W826-L874 HydrophobicContact CH2-CD2 3.98Å; W826-L874 HydrophobicContact CZ3-CD2 4.42Å
827	I	95.1	Very high	94.1	Very high	63 Å²	63	57.4 Å²	57.4	32%	0.323	30%	0.296	S	S	.	.	H	α-helix	trans	-61	-46.8	179.2	-68.5	164.9	0	0	0	110.6	I823 V854 F857	I823-I827 HydrophobicContact CG1-CD1 4.2Å; I823-I827 VanDerWaalsContact O-CG1 3.28Å; I823-I827 WeakPolarHBondContact O-CG1 3.37Å; I823-I827 PolarHBondContact O-N 2.99Å; I827-V854 HydrophobicContact CD1-CB 4.49Å; I827-V854 HydrophobicContact CD1-CG1 4.34Å; I827-V854 HydrophobicContact CD1-CG2 3.83Å; I827-F857 HydrophobicContact CD1-CD1 4.44Å; I827-F857 HydrophobicContact CG1-CD1 3.78Å; I827-F857 HydrophobicContact CG1-CD2 4.26Å; I827-F857 HydrophobicContact CG1-CE1 3.83Å; I827-F857 HydrophobicContact CG1-CE2 4.3Å; I827-F857 HydrophobicContact CG1-CG 3.99Å; I827-F857 HydrophobicContact CG1-CZ 4.08Å
828	S	94.7	Very high	94	Very high	96 Å²	96	48.6 Å²	48.6	67%	0.671	26%	0.263	S	S	*	.	H	α-helix	trans	-72.9	-35.5	-175.8	61.1	0	0	0	0	114.2	S824 D825 W826	S824-S828 WeakPolarHBondContact O-CB 3.35Å; S824-S828 PolarHBondContact O-N 2.88Å; S824-S828 PolarHBondContact O-OG 2.73Å; D825-S828 PolarHBondContact O-N 3.17Å; D825-S828 PolarHBondContact O-OG 2.78Å; W826-S828 PolarHBondContact O-N 3.13Å
829	S	94.6	Very high	93.9	Very high	41 Å²	41	46 Å²	46	29%	0.287	25%	0.25	S	S	.	.	H	α-helix	trans	-90.7	-16	-179.6	70.9	0	0	0	0	113.5	D825 K831	D825-S829 VanDerWaalsContact O-CB 3.23Å; D825-S829 WeakPolarHBondContact O-CB 3.16Å; D825-S829 PolarHBondContact O-N 3Å; D825-S829 PolarHBondContact O-OG 3.08Å; S829-K831 PolarHBondContact O-N 2.82Å; S829-K831 VanDerWaalsContact O-N 3.15Å; S829-K831 PolarHBondContact OG-N 2.84Å; S829-K831 VanDerWaalsContact OG-N 3.13Å; S829-K831 PolarHBondContact OG-O 2.79Å
830	N	91	Very high	93.8	Very high	103 Å²	103	47.9 Å²	47.9	55%	0.551	26%	0.26	S	S	*	.	S	Bend	trans	53.2	21.7	-166.8	-164.6	33.6	0	0	0	113.6	W826 K861	W826-N830 WeakPolarHBondContact O-CA 3.35Å; W826-N830 PolarHBondContact O-N 3.47Å; N830-K861 PolarHBondContact OD1-NZ 3.34Å
831	K	91.1	Very high	93.8	Very high	137 Å²	137	46.3 Å²	46.3	60%	0.596	25%	0.25	S	S	*	.			trans	-119.6	119.3	177.3	-68.8	-175.8	179.5	-175.2	0	109.7	S829 R833	S829-K831 PolarHBondContact O-N 2.82Å; S829-K831 VanDerWaalsContact O-N 3.15Å; S829-K831 PolarHBondContact OG-N 2.84Å; S829-K831 VanDerWaalsContact OG-N 3.13Å; S829-K831 PolarHBondContact OG-O 2.79Å; K831-R833 PolarHBondContact O-N 2.81Å
832	N	92.3	Very high	93.9	Very high	46 Å²	46	43.9 Å²	43.9	25%	0.246	23%	0.23	C	C	.	.			trans	-76.2	96.2	-178.5	-170	-0.5	0	0	0	109.7	W826 I834 Y843 E870	W826-N832 VanDerWaalsContact CD1-N 3.3Å; W826-N832 HydrophobicContact CD2-CB 4.21Å; W826-N832 HydrophobicContact CG-CB 4.28Å; W826-N832 HydrophobicContact CZ2-CB 4.17Å; N832-I834 VanDerWaalsContact C-N 3.33Å; N832-I834 WeakPolarHBondContact OD1-CB 3.3Å; N832-I834 PolarHBondContact OD1-N 3.23Å; N832-Y843 PolarHBondContact ND2-OH 2.99Å; N832-Y843 PolarHBondContact OD1-OH 2.97Å; N832-E870 PolarHBondContact ND2-OE1 2.77Å
833	R	91.5	Very high	93.9	Very high	134 Å²	134	42.3 Å²	42.3	51%	0.506	22%	0.224	S	C	.	.			trans	-98.5	20.9	176.6	-67.8	173.8	172.2	164	-5.2	111.7	N781 D825 K831	N781-R833 PolarHBondContact ND2-O 3.2Å; D825-R833 IonicContact OD1-NH1 3.24Å; D825-R833 WeakPolarHBondContact OD2-CD 3.39Å; D825-R833 IonicContact OD2-NH1 3.67Å; K831-R833 PolarHBondContact O-N 2.81Å
834	I	93.4	Very high	94	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	24%	0.238	C	C	.	.	S	Bend	trans	-85.9	126.7	179.6	-60.8	163.8	0	0	0	107.4	Y822 W826 N832 I838 R839 V842 Y843	Y822-I834 HydrophobicContact CD1-CG1 4.05Å; Y822-I834 HydrophobicContact CG-CG1 4.27Å; W826-I834 HydrophobicContact CB-CD1 4.37Å; W826-I834 HydrophobicContact CE3-CD1 4.14Å; N832-I834 VanDerWaalsContact C-N 3.33Å; N832-I834 WeakPolarHBondContact OD1-CB 3.3Å; N832-I834 PolarHBondContact OD1-N 3.23Å; I834-I838 HydrophobicContact CG2-CG1 4.35Å; I834-R839 HydrophobicContact CB-CG 3.87Å; I834-R839 HydrophobicContact CG2-CB 4.28Å; I834-R839 HydrophobicContact CG2-CG 3.57Å; I834-R839 PolarHBondContact O-NE 3.35Å; I834-R839 PolarHBondContact O-NH2 3Å; I834-V842 HydrophobicContact CD1-CB 4.37Å; I834-V842 HydrophobicContact CD1-CG1 3.57Å; I834-V842 HydrophobicContact CG1-CG1 4.24Å; I834-V842 HydrophobicContact CG2-CB 3.99Å; I834-V842 HydrophobicContact CG2-CG1 4.26Å; I834-V842 HydrophobicContact CG2-CG2 3.91Å; I834-Y843 HydrophobicContact CD1-CD1 4.21Å; I834-Y843 HydrophobicContact CD1-CE1 3.54Å
835	P	91.4	Very high	94	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.071	23%	0.227	C	C	.	.			trans	-57.1	131.3	177.4	-20	27.5	0	0	0	110.7	P779 N781 N837 I838 R839	P779-P835 HydrophobicContact CB-CB 4.34Å; P779-P835 HydrophobicContact CB-CG 4.25Å; P779-P835 HydrophobicContact CG-CB 4.08Å; P779-P835 HydrophobicContact CG-CG 3.98Å; N781-P835 VanDerWaalsContact OD1-CG 3.29Å; N781-P835 WeakPolarHBondContact OD1-CG 3.35Å; P835-N837 VanDerWaalsContact C-N 3.26Å; P835-N837 PolarHBondContact O-N 3.48Å; P835-N837 VanDerWaalsContact O-N 3.1Å; P835-I838 HydrophobicContact CB-CD1 4.28Å; P835-I838 HydrophobicContact CB-CG1 3.94Å; P835-I838 HydrophobicContact CG-CD1 3.91Å; P835-I838 HydrophobicContact CG-CG1 4.11Å; P835-I838 VanDerWaalsContact O-CG1 3.27Å; P835-I838 WeakPolarHBondContact O-CG1 3.37Å; P835-I838 PolarHBondContact O-N 3.14Å; P835-I838 VanDerWaalsContact O-N 3.08Å; P835-R839 PolarHBondContact O-N 2.8Å
836	P	90.6	Very high	94	Very high	39 Å²	39	40.1 Å²	40.1	25%	0.253	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-49.3	-40.7	-174.3	-31.4	35.6	0	0	0	115.1	I838 R839	P836-I838 PolarHBondContact O-N 2.96Å; P836-I838 VanDerWaalsContact O-N 3.13Å; P836-R839 PolarHBondContact O-N 3.26Å
837	N	89.9	Confident	94.1	Very high	35 Å²	35	39.9 Å²	39.9	19%	0.187	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-66.3	-13.9	-176.1	-67.4	-5.5	0	0	0	115	S414 S415 R801 P835	S414-N837 WeakPolarHBondContact CA-OD1 3.44Å; S414-N837 WeakPolarHBondContact CB-OD1 3.11Å; S415-N837 PolarHBondContact N-OD1 3.48Å; S415-N837 PolarHBondContact OG-ND2 3.49Å; S415-N837 PolarHBondContact OG-OD1 2.74Å; R801-N837 WeakPolarHBondContact CD-O 3.46Å; R801-N837 WeakPolarHBondContact CG-O 3.49Å; R801-N837 PolarHBondContact NE-O 2.84Å; R801-N837 VanDerWaalsContact NE-O 3.15Å; P835-N837 VanDerWaalsContact C-N 3.26Å; P835-N837 PolarHBondContact O-N 3.48Å; P835-N837 VanDerWaalsContact O-N 3.1Å
838	I	93.8	Very high	94.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-125.5	7.9	-179.1	56.7	160.2	0	0	0	112.9	W778 P779 I804 Y822 I834 P835 P836 I841 V842	W778-I838 HydrophobicContact CE3-CD1 3.34Å; W778-I838 HydrophobicContact CZ3-CD1 3.53Å; P779-I838 HydrophobicContact CG-CD1 3.73Å; P779-I838 HydrophobicContact CG-CG1 4.11Å; P779-I838 HydrophobicContact CG-CG2 4.21Å; I804-I838 HydrophobicContact CD1-CG2 4.06Å; Y822-I838 HydrophobicContact CE2-CD1 4.47Å; I834-I838 HydrophobicContact CG2-CG1 4.35Å; P835-I838 HydrophobicContact CB-CD1 4.28Å; P835-I838 HydrophobicContact CB-CG1 3.94Å; P835-I838 HydrophobicContact CG-CD1 3.91Å; P835-I838 HydrophobicContact CG-CG1 4.11Å; P835-I838 VanDerWaalsContact O-CG1 3.27Å; P835-I838 WeakPolarHBondContact O-CG1 3.37Å; P835-I838 PolarHBondContact O-N 3.14Å; P835-I838 VanDerWaalsContact O-N 3.08Å; P836-I838 PolarHBondContact O-N 2.96Å; P836-I838 VanDerWaalsContact O-N 3.13Å; I838-I841 HydrophobicContact CG2-CD1 4.46Å; I838-I841 PolarHBondContact O-N 3.1Å; I838-V842 HydrophobicContact CD1-CG2 4.38Å; I838-V842 WeakPolarHBondContact O-CG2 3.24Å; I838-V842 PolarHBondContact O-N 3.33Å
839	R	94.5	Very high	94.1	Very high	17 Å²	17	37.7 Å²	37.7	6%	0.064	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-46.3	-177.5	-83.2	-179	-174	167.4	11.3	112.5	V412 I834 P835 P836 I841 V842 Y843 E870 I873	V412-R839 PolarHBondContact O-NH1 3.14Å; V412-R839 VanDerWaalsContact O-NH1 3.15Å; I834-R839 HydrophobicContact CB-CG 3.87Å; I834-R839 HydrophobicContact CG2-CB 4.28Å; I834-R839 HydrophobicContact CG2-CG 3.57Å; I834-R839 PolarHBondContact O-NE 3.35Å; I834-R839 PolarHBondContact O-NH2 3Å; P835-R839 PolarHBondContact O-N 2.8Å; P836-R839 PolarHBondContact O-N 3.26Å; R839-I841 VanDerWaalsContact C-N 3.29Å; R839-I841 PolarHBondContact O-N 3.16Å; R839-V842 PolarHBondContact O-N 3.04Å; R839-Y843 HydrophobicContact CB-CD2 4.36Å; R839-Y843 HydrophobicContact CB-CE1 4.48Å; R839-Y843 HydrophobicContact CB-CE2 3.78Å; R839-Y843 VanDerWaalsContact CD-OH 3.29Å; R839-Y843 WeakPolarHBondContact CD-OH 3.46Å; R839-Y843 HydrophobicContact CG-CE2 4.29Å; R839-Y843 WeakPolarHBondContact CG-OH 3.49Å; R839-Y843 WeakPolarHBondContact O-CB 3.49Å; R839-Y843 WeakPolarHBondContact O-CD1 3.48Å; R839-Y843 WeakPolarHBondContact O-CD2 3.39Å; R839-Y843 PolarHBondContact O-N 3.3Å; R839-E870 IonicContact CZ-OE2 2.89Å; R839-E870 IonicContact NH1-OE1 2.89Å; R839-E870 IonicContact NH1-OE2 3.44Å; R839-E870 PolarHBondContact NH1-OE2 3.09Å; R839-I873 HydrophobicContact CB-CD1 3.67Å
840	D	94.8	Very high	93.9	Very high	38 Å²	38	38.5 Å²	38.5	20%	0.203	20%	0.196	C	C	.	.	H	α-helix	trans	-53.9	-46.2	175.6	61.5	-37	0	0	0	111.7	R801 C844 I873	R801-D840 IonicContact CZ-OD2 3.97Å; R801-D840 IonicContact NH2-OD1 2.66Å; R801-D840 IonicContact NH2-OD2 2.95Å; R801-D840 PolarHBondContact NH2-OD2 3.26Å; D840-C844 WeakPolarHBondContact O-CB 3.39Å; D840-C844 PolarHBondContact O-N 2.68Å; D840-I873 HydrophobicContact CB-CB 4.28Å; D840-I873 HydrophobicContact CB-CG2 4.19Å
841	I	96.2	Very high	93.8	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.056	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-46.5	178.2	-57.3	167.7	0	0	0	110.5	R801 I804 M805 C808 I838 R839 T845	R801-I841 HydrophobicContact CG-CD1 4.1Å; I804-I841 HydrophobicContact CB-CD1 4.48Å; I804-I841 HydrophobicContact CG2-CD1 4.06Å; I804-I841 HydrophobicContact CG2-CG2 4.18Å; M805-I841 HydrophobicContact CB-CD1 3.83Å; M805-I841 HydrophobicContact CB-CG1 4.41Å; M805-I841 HydrophobicContact CE-CD1 4.32Å; M805-I841 HydrophobicContact CE-CG1 4.16Å; M805-I841 HydrophobicContact CG-CD1 4.43Å; C808-I841 HydrophobicContact CB-CG2 4.01Å; I838-I841 HydrophobicContact CG2-CD1 4.46Å; I838-I841 PolarHBondContact O-N 3.1Å; R839-I841 VanDerWaalsContact C-N 3.29Å; R839-I841 PolarHBondContact O-N 3.16Å; I841-T845 WeakPolarHBondContact O-CB 3.44Å; I841-T845 PolarHBondContact O-N 2.97Å; I841-T845 PolarHBondContact O-OG1 3.09Å
842	V	97.1	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.5	-42.9	-178.6	172.6	0	0	0	0	111.7	W778 A819 Y822 I823 I834 I838 R839 G846	W778-V842 HydrophobicContact CH2-CG2 4.19Å; W778-V842 HydrophobicContact CZ3-CG2 3.69Å; A819-V842 HydrophobicContact CB-CG2 4.44Å; Y822-V842 HydrophobicContact CD2-CG2 4.31Å; I823-V842 HydrophobicContact CB-CG1 4.29Å; I834-V842 HydrophobicContact CD1-CB 4.37Å; I834-V842 HydrophobicContact CD1-CG1 3.57Å; I834-V842 HydrophobicContact CG1-CG1 4.24Å; I834-V842 HydrophobicContact CG2-CB 3.99Å; I834-V842 HydrophobicContact CG2-CG1 4.26Å; I834-V842 HydrophobicContact CG2-CG2 3.91Å; I838-V842 HydrophobicContact CD1-CG2 4.38Å; I838-V842 WeakPolarHBondContact O-CG2 3.24Å; I838-V842 PolarHBondContact O-N 3.33Å; R839-V842 PolarHBondContact O-N 3.04Å; V842-G846 PolarHBondContact O-N 3.08Å
843	Y	97.3	Very high	94.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-51.2	179.2	-60.8	-17.9	0	0	0	111.2	W826 N832 I834 R839 T845 G846 V847 I858 E870 I873 L874 A877	W826-Y843 HydrophobicContact CE3-CD1 4.27Å; W826-Y843 AromaticContact CE3-CE1 3.58Å; W826-Y843 HydrophobicContact CE3-CE1 3.58Å; W826-Y843 HydrophobicContact CH2-CE1 4.07Å; W826-Y843 AromaticContact CH2-CZ 3.97Å; W826-Y843 AromaticContact CZ3-CD1 3.81Å; W826-Y843 HydrophobicContact CZ3-CD1 3.81Å; W826-Y843 AromaticContact CZ3-CE1 3.19Å; W826-Y843 HydrophobicContact CZ3-CE1 3.19Å; W826-Y843 HydrophobicContact CZ3-CE2 4.4Å; W826-Y843 AromaticContact CZ3-CZ 3.57Å; N832-Y843 PolarHBondContact ND2-OH 2.99Å; N832-Y843 PolarHBondContact OD1-OH 2.97Å; I834-Y843 HydrophobicContact CD1-CD1 4.21Å; I834-Y843 HydrophobicContact CD1-CE1 3.54Å; R839-Y843 HydrophobicContact CB-CD2 4.36Å; R839-Y843 HydrophobicContact CB-CE1 4.48Å; R839-Y843 HydrophobicContact CB-CE2 3.78Å; R839-Y843 VanDerWaalsContact CD-OH 3.29Å; R839-Y843 WeakPolarHBondContact CD-OH 3.46Å; R839-Y843 HydrophobicContact CG-CE2 4.29Å; R839-Y843 WeakPolarHBondContact CG-OH 3.49Å; R839-Y843 WeakPolarHBondContact O-CB 3.49Å; R839-Y843 WeakPolarHBondContact O-CD1 3.48Å; R839-Y843 WeakPolarHBondContact O-CD2 3.39Å; R839-Y843 PolarHBondContact O-N 3.3Å; Y843-T845 PolarHBondContact O-N 2.89Å; Y843-G846 PolarHBondContact O-N 2.79Å; Y843-V847 WeakPolarHBondContact O-CB 3.35Å; Y843-V847 WeakPolarHBondContact O-CG2 3.34Å; Y843-V847 PolarHBondContact O-N 3.12Å; Y843-I858 HydrophobicContact CD1-CD1 4.37Å; Y843-I858 HydrophobicContact CG-CD1 4.43Å; Y843-E870 PolarHBondContact OH-OE1 3.31Å; Y843-I873 HydrophobicContact CD2-CD1 4.24Å; Y843-I873 HydrophobicContact CD2-CG1 4.32Å; Y843-I873 HydrophobicContact CE2-CD1 3.83Å; Y843-I873 HydrophobicContact CE2-CG1 4.2Å; Y843-L874 HydrophobicContact CD2-CD2 3.79Å; Y843-L874 HydrophobicContact CE2-CD2 3.71Å; Y843-L874 HydrophobicContact CE2-CG 4.36Å; Y843-A877 HydrophobicContact CG-CB 4.49Å
844	C	96.9	Very high	94.3	Very high	43 Å²	43	33.4 Å²	33.4	29%	0.291	18%	0.182	S	C	.	.	H	α-helix	trans	-59.5	-46.7	178.8	179.5	0	0	0	0	111.4	D840 G846 V847 S848 C880	D840-C844 WeakPolarHBondContact O-CB 3.39Å; D840-C844 PolarHBondContact O-N 2.68Å; C844-G846 PolarHBondContact O-N 2.86Å; C844-V847 PolarHBondContact O-N 2.8Å; C844-S848 WeakPolarHBondContact O-CB 3.28Å; C844-S848 PolarHBondContact O-N 2.91Å; C844-C880 VanDerWaalsContact CA-SG 3.6Å; C844-C880 HydrophobicContact CB-CB 3.88Å; C844-C880 WeakPolarHBondContact CB-SG 3.42Å; C844-C880 WeakPolarHBondContact O-CB 3.26Å; C844-C880 WeakPolarHBondContact SG-CB 3.25Å; C844-C880 CovalentContact SG-SG 2.03Å; C844-C880 PolarHBondContact SG-SG 3.18Å
845	T	96.9	Very high	94.5	Very high	15 Å²	15	33.4 Å²	33.4	9%	0.092	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-41	178.1	-55.9	0	0	0	0	111.7	A819 I841 Y843 S848 L849	A819-T845 HydrophobicContact CB-CG2 3.64Å; I841-T845 WeakPolarHBondContact O-CB 3.44Å; I841-T845 PolarHBondContact O-N 2.97Å; I841-T845 PolarHBondContact O-OG1 3.09Å; Y843-T845 PolarHBondContact O-N 2.89Å; T845-S848 PolarHBondContact O-N 3.09Å; T845-L849 HydrophobicContact CG2-CD1 3.64Å; T845-L849 HydrophobicContact CG2-CG 4.32Å; T845-L849 WeakPolarHBondContact O-CB 3.35Å; T845-L849 VanDerWaalsContact O-CG 3.3Å; T845-L849 WeakPolarHBondContact O-CG 3.26Å; T845-L849 PolarHBondContact O-N 3.25Å; T845-L849 VanDerWaalsContact O-N 3.07Å
846	G	96	Very high	94.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-45.1	177.2	0	0	0	0	0	112.7	V842 Y843 C844 S848 L849 M850	V842-G846 PolarHBondContact O-N 3.08Å; Y843-G846 PolarHBondContact O-N 2.79Å; C844-G846 PolarHBondContact O-N 2.86Å; G846-S848 VanDerWaalsContact C-N 3.35Å; G846-S848 PolarHBondContact O-N 3.19Å; G846-L849 PolarHBondContact O-N 3.31Å; G846-M850 VanDerWaalsContact O-CB 3.23Å; G846-M850 WeakPolarHBondContact O-CB 3.4Å; G846-M850 WeakPolarHBondContact O-CG 3.37Å; G846-M850 PolarHBondContact O-N 3.08Å
847	V	97.1	Very high	95	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-66.5	-34.3	177.8	171	0	0	0	0	112.5	Y843 C844 V854 I858 A877	Y843-V847 WeakPolarHBondContact O-CB 3.35Å; Y843-V847 WeakPolarHBondContact O-CG2 3.34Å; Y843-V847 PolarHBondContact O-N 3.12Å; C844-V847 PolarHBondContact O-N 2.8Å; V847-V854 HydrophobicContact CG2-CG1 4.37Å; V847-I858 HydrophobicContact CG2-CB 4.47Å; V847-I858 HydrophobicContact CG2-CG1 3.85Å; V847-A877 WeakPolarHBondContact CG1-O 3.43Å
848	S	95.4	Very high	95.4	Very high	36 Å²	36	33.4 Å²	33.4	25%	0.252	18%	0.176	S	C	.	.	H	α-helix	trans	-69	-43.8	175.5	174.6	0	0	0	0	111.9	C844 T845 G846 C880 D882	C844-S848 WeakPolarHBondContact O-CB 3.28Å; C844-S848 PolarHBondContact O-N 2.91Å; T845-S848 PolarHBondContact O-N 3.09Å; G846-S848 VanDerWaalsContact C-N 3.35Å; G846-S848 PolarHBondContact O-N 3.19Å; S848-C880 VanDerWaalsContact CA-O 3.27Å; S848-C880 WeakPolarHBondContact CA-O 3.45Å; S848-C880 WeakPolarHBondContact CB-O 3.3Å; S848-D882 PolarHBondContact OG-OD1 2.83Å
849	L	93.4	Very high	95.5	Very high	77 Å²	77	34.7 Å²	34.7	40%	0.403	18%	0.181	S	C	.	.	H	α-helix	trans	-91.9	-19.7	-169.2	-63.9	178	0	0	0	115.7	H816 V820 T845 G846	H816-L849 HydrophobicContact CB-CD1 3.61Å; V820-L849 HydrophobicContact CG2-CB 4.41Å; V820-L849 HydrophobicContact CG2-CD1 4.15Å; T845-L849 HydrophobicContact CG2-CD1 3.64Å; T845-L849 HydrophobicContact CG2-CG 4.32Å; T845-L849 WeakPolarHBondContact O-CB 3.35Å; T845-L849 VanDerWaalsContact O-CG 3.3Å; T845-L849 WeakPolarHBondContact O-CG 3.26Å; T845-L849 PolarHBondContact O-N 3.25Å; T845-L849 VanDerWaalsContact O-N 3.07Å; G846-L849 PolarHBondContact O-N 3.31Å
850	M	91.1	Very high	95.5	Very high	59 Å²	59	38.5 Å²	38.5	29%	0.291	20%	0.201	S	C	.	.	S	Bend	trans	-105.9	-177.5	-172.9	-58.8	-175.3	68.3	0	0	112.3	V820 I823 G846 V854	V820-M850 HydrophobicContact CG1-CE 4.49Å; V820-M850 HydrophobicContact CG1-SD 4.03Å; V820-M850 HydrophobicContact CG2-CG 4.32Å; V820-M850 HydrophobicContact CG2-SD 4.32Å; I823-M850 HydrophobicContact CG2-SD 3.43Å; I823-M850 WeakPolarHBondContact CG2-SD 3.31Å; G846-M850 VanDerWaalsContact O-CB 3.23Å; G846-M850 WeakPolarHBondContact O-CB 3.4Å; G846-M850 WeakPolarHBondContact O-CG 3.37Å; G846-M850 PolarHBondContact O-N 3.08Å; M850-V854 HydrophobicContact CB-CB 4.07Å; M850-V854 HydrophobicContact CB-CG1 4.49Å; M850-V854 HydrophobicContact CB-CG2 3.5Å; M850-V854 VanDerWaalsContact CB-CG2 3.5Å; M850-V854 HydrophobicContact CE-CG2 3.75Å; M850-V854 HydrophobicContact CG-CG2 4.27Å; M850-V854 HydrophobicContact SD-CG2 3.91Å
851	D	89.9	Confident	95.6	Very high	99 Å²	99	38.3 Å²	38.3	53%	0.529	20%	0.198	S	C	.	.			trans	-82.5	175.2	-175.8	56.2	12.3	0	0	0	113.5	D853 V854	D851-D853 PolarHBondContact O-N 3.08Å; D851-D853 VanDerWaalsContact O-N 3.16Å; D851-V854 PolarHBondContact O-N 2.89Å
852	E	94.3	Very high	95.5	Very high	88 Å²	88	38 Å²	38	41%	0.411	20%	0.196	S	C	.	.	H	α-helix	trans	-56.4	-28.4	-179.5	-179.1	170.3	-171.3	0	0	113	V854 W855 E856 L886	E852-V854 VanDerWaalsContact C-N 3.26Å; E852-V854 PolarHBondContact O-N 3.4Å; E852-W855 WeakPolarHBondContact O-CB 3.06Å; E852-W855 PolarHBondContact O-N 3.18Å; E852-W855 VanDerWaalsContact O-N 3.1Å; E852-E856 HydrophobicContact CG-CG 4.43Å; E852-E856 PolarHBondContact O-N 3Å; E852-L886 HydrophobicContact CB-CD1 4.36Å; E852-L886 HydrophobicContact CG-CD1 4.1Å; E852-L886 HydrophobicContact CG-CD2 4.17Å
853	D	94.4	Very high	95.2	Very high	123 Å²	123	42 Å²	42	66%	0.658	22%	0.215	S	C	*	.	H	α-helix	trans	-61.4	-34.8	177.5	-70.3	-14.7	0	0	0	112	D851 F857	D851-D853 PolarHBondContact O-N 3.08Å; D851-D853 VanDerWaalsContact O-N 3.16Å; D853-F857 WeakPolarHBondContact O-CB 3.19Å; D853-F857 PolarHBondContact O-N 3.32Å
854	V	95.8	Very high	94.8	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-68.9	-40.6	175.1	179.1	0	0	0	0	110.9	I823 I827 V847 M850 D851 E852 F857 I858	I823-V854 HydrophobicContact CD1-CG1 3.65Å; I823-V854 HydrophobicContact CG1-CG1 4.35Å; I827-V854 HydrophobicContact CD1-CB 4.49Å; I827-V854 HydrophobicContact CD1-CG1 4.34Å; I827-V854 HydrophobicContact CD1-CG2 3.83Å; V847-V854 HydrophobicContact CG2-CG1 4.37Å; M850-V854 HydrophobicContact CB-CB 4.07Å; M850-V854 HydrophobicContact CB-CG1 4.49Å; M850-V854 HydrophobicContact CB-CG2 3.5Å; M850-V854 VanDerWaalsContact CB-CG2 3.5Å; M850-V854 HydrophobicContact CE-CG2 3.75Å; M850-V854 HydrophobicContact CG-CG2 4.27Å; M850-V854 HydrophobicContact SD-CG2 3.91Å; D851-V854 PolarHBondContact O-N 2.89Å; E852-V854 VanDerWaalsContact C-N 3.26Å; E852-V854 PolarHBondContact O-N 3.4Å; V854-F857 WeakPolarHBondContact O-CB 3.44Å; V854-F857 PolarHBondContact O-N 3.35Å; V854-I858 WeakPolarHBondContact O-CG1 3.48Å; V854-I858 PolarHBondContact O-N 2.91Å
855	W	96.9	Very high	94.4	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-47.2	176.3	-170	99.1	0	0	0	111	E852 F857 I858 W859 L878 L886 L890	E852-W855 WeakPolarHBondContact O-CB 3.06Å; E852-W855 PolarHBondContact O-N 3.18Å; E852-W855 VanDerWaalsContact O-N 3.1Å; W855-F857 VanDerWaalsContact C-N 3.31Å; W855-F857 PolarHBondContact O-N 3.39Å; W855-I858 PolarHBondContact O-N 2.83Å; W855-W859 HydrophobicContact CE3-CB 4.11Å; W855-W859 HydrophobicContact CH2-CB 4.23Å; W855-W859 AromaticContact CH2-CD2 3.86Å; W855-W859 HydrophobicContact CH2-CD2 3.86Å; W855-W859 AromaticContact CH2-CE3 3.65Å; W855-W859 HydrophobicContact CH2-CE3 3.65Å; W855-W859 HydrophobicContact CH2-CG 4.11Å; W855-W859 HydrophobicContact CH2-CZ3 4.37Å; W855-W859 HydrophobicContact CZ2-CE3 4.21Å; W855-W859 HydrophobicContact CZ3-CB 3.75Å; W855-W859 HydrophobicContact CZ3-CD2 4.1Å; W855-W859 HydrophobicContact CZ3-CE3 4.29Å; W855-W859 AromaticContact CZ3-CG 3.85Å; W855-W859 HydrophobicContact CZ3-CG 3.85Å; W855-W859 WeakPolarHBondContact O-CB 3.19Å; W855-W859 PolarHBondContact O-N 2.89Å; W855-L878 HydrophobicContact CD2-CD2 3.65Å; W855-L878 VanDerWaalsContact CE2-CD2 3.41Å; W855-L878 HydrophobicContact CE3-CD2 4.27Å; W855-L878 HydrophobicContact CG-CD2 3.89Å; W855-L878 HydrophobicContact CH2-CD2 4.38Å; W855-L878 HydrophobicContact CZ2-CB 4.25Å; W855-L878 HydrophobicContact CZ2-CD2 3.81Å; W855-L878 HydrophobicContact CZ2-CG 4.46Å; W855-L878 PolarHBondContact NE1-O 3.13Å; W855-L878 WeakPolarHBondContact O-CD2 3.32Å; W855-L886 HydrophobicContact CB-CD1 3.95Å; W855-L886 HydrophobicContact CD2-CD1 4.28Å; W855-L886 HydrophobicContact CD2-CD2 4.33Å; W855-L886 HydrophobicContact CE3-CD2 4.34Å; W855-L886 HydrophobicContact CG-CD1 3.82Å; W855-L890 HydrophobicContact CZ2-CB 4.27Å; W855-L890 HydrophobicContact CZ2-CD1 4.42Å
856	E	96.8	Very high	93.8	Very high	62 Å²	62	48.8 Å²	48.8	29%	0.29	26%	0.262	S	S	.	.	H	α-helix	trans	-64.1	-35.3	177.4	-71.6	-66.9	175.3	0	0	112.3	E852 W859 M860 R889	E852-E856 HydrophobicContact CG-CG 4.43Å; E852-E856 PolarHBondContact O-N 3Å; E856-W859 PolarHBondContact O-N 2.87Å; E856-M860 WeakPolarHBondContact O-CB 3.45Å; E856-M860 PolarHBondContact O-N 3.37Å; E856-R889 IonicContact OE1-CZ 2.75Å; E856-R889 VanDerWaalsContact OE1-CZ 3.23Å; E856-R889 IonicContact OE1-NH1 3.14Å; E856-R889 PolarHBondContact OE1-NH1 3.1Å; E856-R889 IonicContact OE1-NH2 3.29Å; E856-R889 PolarHBondContact OE1-NH2 3.47Å; E856-R889 IonicContact OE2-NH2 3.91Å
857	F	96.9	Very high	93.4	Very high	24 Å²	24	49.2 Å²	49.2	11%	0.105	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-46.4	172.3	175	-94.9	0	0	0	111.9	W826 I827 D853 V854 W855 M860 K861	W826-F857 AromaticContact CD2-CE1 3.68Å; W826-F857 HydrophobicContact CD2-CE1 3.68Å; W826-F857 AromaticContact CD2-CZ 3.92Å; W826-F857 HydrophobicContact CD2-CZ 3.92Å; W826-F857 AromaticContact CE2-CE1 3.81Å; W826-F857 AromaticContact CE2-CZ 3.77Å; W826-F857 AromaticContact CE3-CE1 3.65Å; W826-F857 HydrophobicContact CE3-CE1 3.65Å; W826-F857 HydrophobicContact CE3-CZ 4.36Å; W826-F857 HydrophobicContact CG-CE1 4.33Å; W826-F857 HydrophobicContact CG-CZ 4.24Å; W826-F857 AromaticContact CH2-CE1 3.96Å; W826-F857 HydrophobicContact CH2-CE1 3.96Å; W826-F857 AromaticContact CZ2-CE1 3.99Å; W826-F857 HydrophobicContact CZ2-CE1 3.99Å; W826-F857 HydrophobicContact CZ2-CZ 4.16Å; W826-F857 AromaticContact CZ3-CE1 3.78Å; W826-F857 HydrophobicContact CZ3-CE1 3.78Å; W826-F857 AromaticContact NE1-CZ 3.96Å; I827-F857 HydrophobicContact CD1-CD1 4.44Å; I827-F857 HydrophobicContact CG1-CD1 3.78Å; I827-F857 HydrophobicContact CG1-CD2 4.26Å; I827-F857 HydrophobicContact CG1-CE1 3.83Å; I827-F857 HydrophobicContact CG1-CE2 4.3Å; I827-F857 HydrophobicContact CG1-CG 3.99Å; I827-F857 HydrophobicContact CG1-CZ 4.08Å; D853-F857 WeakPolarHBondContact O-CB 3.19Å; D853-F857 PolarHBondContact O-N 3.32Å; V854-F857 WeakPolarHBondContact O-CB 3.44Å; V854-F857 PolarHBondContact O-N 3.35Å; W855-F857 VanDerWaalsContact C-N 3.31Å; W855-F857 PolarHBondContact O-N 3.39Å; F857-M860 HydrophobicContact CD2-CE 3.69Å; F857-M860 HydrophobicContact CE2-CE 3.97Å; F857-M860 PolarHBondContact O-N 3.16Å; F857-K861 HydrophobicContact CD1-CG 4.28Å; F857-K861 HydrophobicContact CE1-CG 3.9Å; F857-K861 VanDerWaalsContact CE2-CE 3.48Å; F857-K861 HydrophobicContact CE2-CG 4.37Å; F857-K861 HydrophobicContact CZ-CD 4.28Å; F857-K861 HydrophobicContact CZ-CG 3.97Å; F857-K861 VanDerWaalsContact O-CG 3.32Å; F857-K861 WeakPolarHBondContact O-CG 3.28Å; F857-K861 PolarHBondContact O-N 2.83Å
858	I	97.4	Very high	93	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-41.6	176.9	-64.1	-62.4	0	0	0	110.8	I823 W826 Y843 V847 V854 W855 M860 K861 F862 L874 A877 L878	I823-I858 HydrophobicContact CD1-CD1 4.36Å; W826-I858 HydrophobicContact CH2-CD1 4.21Å; W826-I858 HydrophobicContact CZ3-CD1 3.61Å; Y843-I858 HydrophobicContact CD1-CD1 4.37Å; Y843-I858 HydrophobicContact CG-CD1 4.43Å; V847-I858 HydrophobicContact CG2-CB 4.47Å; V847-I858 HydrophobicContact CG2-CG1 3.85Å; V854-I858 WeakPolarHBondContact O-CG1 3.48Å; V854-I858 PolarHBondContact O-N 2.91Å; W855-I858 PolarHBondContact O-N 2.83Å; I858-M860 PolarHBondContact O-N 2.97Å; I858-K861 PolarHBondContact O-N 2.82Å; I858-K861 VanDerWaalsContact O-N 3.11Å; I858-F862 PolarHBondContact O-N 3.08Å; I858-L874 HydrophobicContact CD1-CD2 4.02Å; I858-L874 HydrophobicContact CG2-CB 4.24Å; I858-L874 HydrophobicContact CG2-CD2 3.93Å; I858-L874 WeakPolarHBondContact CG2-O 3.31Å; I858-A877 HydrophobicContact CG2-CB 4.49Å; I858-L878 HydrophobicContact CB-CD2 3.89Å; I858-L878 HydrophobicContact CB-CG 4.48Å; I858-L878 HydrophobicContact CG2-CD1 4.42Å; I858-L878 HydrophobicContact CG2-CD2 3.7Å; I858-L878 HydrophobicContact CG2-CG 3.73Å
859	W	96.1	Very high	92.8	Very high	28 Å²	28	48.7 Å²	48.7	11%	0.106	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-46.1	175.6	-178.1	-102.5	0	0	0	111.7	W855 E856 K861 F862 H863 L878 L890 L893 V900	W855-W859 HydrophobicContact CE3-CB 4.11Å; W855-W859 HydrophobicContact CH2-CB 4.23Å; W855-W859 AromaticContact CH2-CD2 3.86Å; W855-W859 HydrophobicContact CH2-CD2 3.86Å; W855-W859 AromaticContact CH2-CE3 3.65Å; W855-W859 HydrophobicContact CH2-CE3 3.65Å; W855-W859 HydrophobicContact CH2-CG 4.11Å; W855-W859 HydrophobicContact CH2-CZ3 4.37Å; W855-W859 HydrophobicContact CZ2-CE3 4.21Å; W855-W859 HydrophobicContact CZ3-CB 3.75Å; W855-W859 HydrophobicContact CZ3-CD2 4.1Å; W855-W859 HydrophobicContact CZ3-CE3 4.29Å; W855-W859 AromaticContact CZ3-CG 3.85Å; W855-W859 HydrophobicContact CZ3-CG 3.85Å; W855-W859 WeakPolarHBondContact O-CB 3.19Å; W855-W859 PolarHBondContact O-N 2.89Å; E856-W859 PolarHBondContact O-N 2.87Å; W859-K861 VanDerWaalsContact C-N 3.34Å; W859-K861 PolarHBondContact O-N 3.48Å; W859-F862 WeakPolarHBondContact O-CB 3.28Å; W859-F862 PolarHBondContact O-N 3.25Å; W859-H863 AromaticContact CE2-CD2 3.73Å; W859-H863 AromaticContact CE2-NE2 3.26Å; W859-H863 VanDerWaalsContact CE2-NE2 3.26Å; W859-H863 AromaticContact CH2-NE2 3.85Å; W859-H863 AromaticContact CZ2-NE2 3.15Å; W859-H863 WeakPolarHBondContact CZ2-NE2 3.34Å; W859-H863 AromaticContact NE1-CD2 3.62Å; W859-H863 AromaticContact NE1-NE2 3.5Å; W859-H863 PolarHBondContact O-CD2 2.9Å; W859-H863 PolarHBondContact O-N 3.35Å; W859-L878 HydrophobicContact CB-CD2 4.11Å; W859-L878 HydrophobicContact CE3-CD1 3.51Å; W859-L878 HydrophobicContact CZ3-CD1 4.07Å; W859-L890 HydrophobicContact CE3-CD1 4.32Å; W859-L890 HydrophobicContact CH2-CD1 4.34Å; W859-L890 HydrophobicContact CZ3-CD1 3.55Å; W859-L893 HydrophobicContact CH2-CB 4.4Å; W859-L893 HydrophobicContact CH2-CD1 3.96Å; W859-L893 HydrophobicContact CZ2-CD1 3.9Å; W859-V900 HydrophobicContact CH2-CG2 4.17Å
860	M	95.9	Very high	92.7	Very high	98 Å²	98	45.5 Å²	45.5	48%	0.483	24%	0.244	S	C	.	.	H	α-helix	trans	-60	-43.3	173.2	178.6	-165	63.4	0	0	111.5	E856 F857 I858 H863 S864	E856-M860 WeakPolarHBondContact O-CB 3.45Å; E856-M860 PolarHBondContact O-N 3.37Å; F857-M860 HydrophobicContact CD2-CE 3.69Å; F857-M860 HydrophobicContact CE2-CE 3.97Å; F857-M860 PolarHBondContact O-N 3.16Å; I858-M860 PolarHBondContact O-N 2.97Å; M860-H863 PolarHBondContact O-N 3.43Å; M860-S864 WeakPolarHBondContact O-CB 3.42Å; M860-S864 PolarHBondContact O-N 2.91Å; M860-S864 VanDerWaalsContact O-N 3.11Å; M860-S864 PolarHBondContact O-OG 2.89Å
861	K	95.9	Very high	92.8	Very high	34 Å²	34	46 Å²	46	15%	0.148	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-42.3	179.7	-71.9	-63	-177.5	-171.8	0	112	W826 N830 F857 I858 W859 H863 S864 T865 L874	W826-K861 HydrophobicContact CH2-CB 4.19Å; W826-K861 HydrophobicContact CH2-CD 4.46Å; W826-K861 HydrophobicContact CH2-CG 3.85Å; W826-K861 HydrophobicContact CZ2-CB 4.39Å; W826-K861 HydrophobicContact CZ2-CD 3.85Å; W826-K861 HydrophobicContact CZ2-CG 3.72Å; N830-K861 PolarHBondContact OD1-NZ 3.34Å; F857-K861 HydrophobicContact CD1-CG 4.28Å; F857-K861 HydrophobicContact CE1-CG 3.9Å; F857-K861 VanDerWaalsContact CE2-CE 3.48Å; F857-K861 HydrophobicContact CE2-CG 4.37Å; F857-K861 HydrophobicContact CZ-CD 4.28Å; F857-K861 HydrophobicContact CZ-CG 3.97Å; F857-K861 VanDerWaalsContact O-CG 3.32Å; F857-K861 WeakPolarHBondContact O-CG 3.28Å; F857-K861 PolarHBondContact O-N 2.83Å; I858-K861 PolarHBondContact O-N 2.82Å; I858-K861 VanDerWaalsContact O-N 3.11Å; W859-K861 VanDerWaalsContact C-N 3.34Å; W859-K861 PolarHBondContact O-N 3.48Å; K861-H863 VanDerWaalsContact C-N 3.32Å; K861-H863 PolarHBondContact O-N 3.09Å; K861-S864 WeakPolarHBondContact CA-OG 3.45Å; K861-S864 PolarHBondContact O-N 2.99Å; K861-S864 PolarHBondContact O-OG 3.36Å; K861-T865 WeakPolarHBondContact O-CG2 3.43Å; K861-T865 PolarHBondContact O-N 3.3Å; K861-T865 VanDerWaalsContact O-N 3.1Å; K861-L874 HydrophobicContact CB-CD1 4.07Å; K861-L874 HydrophobicContact CB-CD2 4.36Å
862	F	94.1	Very high	92.8	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.022	23%	0.23	C	C	.	.	H	α-helix	trans	-53.5	-46.9	175.9	167.5	-105.2	0	0	0	112.1	I858 W859 S864 T865 K871 L874 L875 L899	I858-F862 PolarHBondContact O-N 3.08Å; W859-F862 WeakPolarHBondContact O-CB 3.28Å; W859-F862 PolarHBondContact O-N 3.25Å; F862-S864 PolarHBondContact O-N 3.06Å; F862-T865 WeakPolarHBondContact O-CG2 3.43Å; F862-K871 HydrophobicContact CD2-CB 4.28Å; F862-K871 HydrophobicContact CD2-CG 4.41Å; F862-K871 WeakPolarHBondContact CD2-O 3.47Å; F862-K871 HydrophobicContact CE2-CB 4.2Å; F862-K871 HydrophobicContact CE2-CG 4.48Å; F862-L874 HydrophobicContact CB-CB 4.12Å; F862-L874 HydrophobicContact CB-CD1 4.49Å; F862-L874 HydrophobicContact CD2-CB 4.49Å; F862-L875 HydrophobicContact CD2-CB 4.04Å; F862-L875 HydrophobicContact CE1-CD1 4.49Å; F862-L875 HydrophobicContact CE2-CB 3.84Å; F862-L875 HydrophobicContact CE2-CD1 4.26Å; F862-L875 HydrophobicContact CE2-CD2 4.18Å; F862-L875 HydrophobicContact CE2-CG 4.33Å; F862-L875 HydrophobicContact CZ-CD1 4.17Å; F862-L875 HydrophobicContact CZ-CD2 4.28Å; F862-L899 WeakPolarHBondContact CE1-O 3.38Å
863	H	90.6	Very high	92.8	Very high	83 Å²	83	41.1 Å²	41.1	38%	0.384	22%	0.219	S	C	.	.	H	α-helix	trans	-73.2	-24.5	177.7	-74.7	-66.2	0	0	0	114.2	W859 M860 K861 L899	W859-H863 AromaticContact CE2-CD2 3.73Å; W859-H863 AromaticContact CE2-NE2 3.26Å; W859-H863 VanDerWaalsContact CE2-NE2 3.26Å; W859-H863 AromaticContact CH2-NE2 3.85Å; W859-H863 AromaticContact CZ2-NE2 3.15Å; W859-H863 WeakPolarHBondContact CZ2-NE2 3.34Å; W859-H863 AromaticContact NE1-CD2 3.62Å; W859-H863 AromaticContact NE1-NE2 3.5Å; W859-H863 PolarHBondContact O-CD2 2.9Å; W859-H863 PolarHBondContact O-N 3.35Å; M860-H863 PolarHBondContact O-N 3.43Å; K861-H863 VanDerWaalsContact C-N 3.32Å; K861-H863 PolarHBondContact O-N 3.09Å; H863-L899 PolarHBondContact CE1-O 2.9Å
864	S	89.7	Confident	92.9	Very high	82 Å²	82	35.3 Å²	35.3	57%	0.573	19%	0.188	S	C	*	.	H	α-helix	trans	-86.1	-25.5	-175.6	73	0	0	0	0	114.7	M860 K861 F862	M860-S864 WeakPolarHBondContact O-CB 3.42Å; M860-S864 PolarHBondContact O-N 2.91Å; M860-S864 VanDerWaalsContact O-N 3.11Å; M860-S864 PolarHBondContact O-OG 2.89Å; K861-S864 WeakPolarHBondContact CA-OG 3.45Å; K861-S864 PolarHBondContact O-N 2.99Å; K861-S864 PolarHBondContact O-OG 3.36Å; F862-S864 PolarHBondContact O-N 3.06Å
865	T	88.8	Confident	92.8	Very high	32 Å²	32	35.5 Å²	35.5	20%	0.196	19%	0.188	C	C	.	.			trans	-80.3	148.1	-175	-178.2	0	0	0	0	111.9	K861 F862 A867 K871 L874	K861-T865 WeakPolarHBondContact O-CG2 3.43Å; K861-T865 PolarHBondContact O-N 3.3Å; K861-T865 VanDerWaalsContact O-N 3.1Å; F862-T865 WeakPolarHBondContact O-CG2 3.43Å; T865-A867 PolarHBondContact OG1-N 2.78Å; T865-A867 VanDerWaalsContact OG1-N 3.13Å; T865-K871 HydrophobicContact CG2-CB 4.46Å; T865-K871 HydrophobicContact CG2-CD 4.46Å; T865-K871 HydrophobicContact CG2-CG 3.41Å; T865-K871 VanDerWaalsContact CG2-CG 3.41Å; T865-K871 WeakPolarHBondContact O-CE 2.85Å; T865-K871 PolarHBondContact O-NZ 3.1Å; T865-L874 HydrophobicContact CG2-CD1 4.05Å
866	S	84.1	Confident	92.8	Very high	86 Å²	86	37.5 Å²	37.5	60%	0.601	20%	0.198	S	C	*	.			trans	-101.1	-13.6	168.4	55.6	0	0	0	0	112.8	V868	S866-V868 PolarHBondContact O-N 2.87Å
867	A	87.9	Confident	92.8	Very high	9 Å²	9	34.7 Å²	34.7	7%	0.074	19%	0.185	C	C	.	.			trans	-74.8	118.2	-179.2	0	0	0	0	0	110.5	D409 V412 T865 E870 K871	D409-A867 HydrophobicContact CB-CB 4.41Å; V412-A867 HydrophobicContact CB-CB 4.43Å; V412-A867 HydrophobicContact CG1-CB 4.18Å; T865-A867 PolarHBondContact OG1-N 2.78Å; T865-A867 VanDerWaalsContact OG1-N 3.13Å; A867-E870 HydrophobicContact CB-CB 4.05Å; A867-E870 PolarHBondContact O-N 2.81Å; A867-K871 PolarHBondContact O-N 3.31Å; A867-K871 VanDerWaalsContact O-N 3.08Å
868	V	88.4	Confident	92.8	Very high	20 Å²	20	33.5 Å²	33.5	12%	0.121	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-40.7	-174.7	178.9	0	0	0	0	111.7	E403 Q404 S866 E870 K871 K872	E403-V868 HydrophobicContact CB-CG1 4.28Å; E403-V868 HydrophobicContact CB-CG2 4.19Å; Q404-V868 HydrophobicContact CB-CG1 4Å; Q404-V868 HydrophobicContact CG-CG1 3.55Å; S866-V868 PolarHBondContact O-N 2.87Å; V868-E870 PolarHBondContact O-N 2.87Å; V868-K871 PolarHBondContact O-N 3.04Å; V868-K872 PolarHBondContact O-N 2.85Å
869	S	90.1	Very high	92.8	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-41.7	176.3	51.3	0	0	0	0	112.8	S413	S413-S869 PolarHBondContact OG-OG 3.03Å
870	E	92.4	Very high	92.8	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-71.5	-39.3	178.9	-170	77.1	-180	0	0	112.2	V412 N832 R839 Y843 A867 V868 K872 I873 L874	V412-E870 HydrophobicContact CG1-CB 3.69Å; V412-E870 HydrophobicContact CG1-CG 4.05Å; V412-E870 VanDerWaalsContact CG1-OE2 3.27Å; V412-E870 WeakPolarHBondContact CG1-OE2 3.38Å; N832-E870 PolarHBondContact ND2-OE1 2.77Å; R839-E870 IonicContact CZ-OE2 2.89Å; R839-E870 IonicContact NH1-OE1 2.89Å; R839-E870 IonicContact NH1-OE2 3.44Å; R839-E870 PolarHBondContact NH1-OE2 3.09Å; Y843-E870 PolarHBondContact OH-OE1 3.31Å; A867-E870 HydrophobicContact CB-CB 4.05Å; A867-E870 PolarHBondContact O-N 2.81Å; V868-E870 PolarHBondContact O-N 2.87Å; E870-K872 VanDerWaalsContact C-N 3.28Å; E870-K872 PolarHBondContact O-N 3.23Å; E870-I873 VanDerWaalsContact O-CG1 3.26Å; E870-I873 WeakPolarHBondContact O-CG1 3.39Å; E870-I873 PolarHBondContact O-N 3.04Å; E870-L874 HydrophobicContact CG-CD1 3.78Å; E870-L874 HydrophobicContact CG-CG 4.2Å; E870-L874 VanDerWaalsContact O-CG 3.27Å; E870-L874 WeakPolarHBondContact O-CG 3.49Å; E870-L874 PolarHBondContact O-N 2.78Å
871	K	91.8	Very high	92.8	Very high	71 Å²	71	29.2 Å²	29.2	31%	0.309	16%	0.163	S	C	.	.	H	α-helix	trans	-54.6	-45.8	177.7	-81.2	-170.1	178.7	-176.7	0	112	F862 T865 A867 V868 L874 L875	F862-K871 HydrophobicContact CD2-CB 4.28Å; F862-K871 HydrophobicContact CD2-CG 4.41Å; F862-K871 WeakPolarHBondContact CD2-O 3.47Å; F862-K871 HydrophobicContact CE2-CB 4.2Å; F862-K871 HydrophobicContact CE2-CG 4.48Å; T865-K871 HydrophobicContact CG2-CB 4.46Å; T865-K871 HydrophobicContact CG2-CD 4.46Å; T865-K871 HydrophobicContact CG2-CG 3.41Å; T865-K871 VanDerWaalsContact CG2-CG 3.41Å; T865-K871 WeakPolarHBondContact O-CE 2.85Å; T865-K871 PolarHBondContact O-NZ 3.1Å; A867-K871 PolarHBondContact O-N 3.31Å; A867-K871 VanDerWaalsContact O-N 3.08Å; V868-K871 PolarHBondContact O-N 3.04Å; K871-L874 PolarHBondContact O-N 3.02Å; K871-L875 WeakPolarHBondContact O-CB 3.45Å; K871-L875 PolarHBondContact O-N 2.82Å
872	K	90.2	Very high	92.8	Very high	51 Å²	51	31.8 Å²	31.8	22%	0.222	18%	0.179	C	C	.	.	H	α-helix	trans	-57.5	-53.7	-179.2	-177.7	-177.6	172.3	-169.8	0	111.3	V868 E870 L874 L875 E876	V868-K872 PolarHBondContact O-N 2.85Å; E870-K872 VanDerWaalsContact C-N 3.28Å; E870-K872 PolarHBondContact O-N 3.23Å; K872-L874 VanDerWaalsContact C-N 3.34Å; K872-L874 PolarHBondContact O-N 3.01Å; K872-L875 PolarHBondContact O-N 3.44Å; K872-E876 WeakPolarHBondContact CE-OE1 3.32Å; K872-E876 WeakPolarHBondContact O-CG 3.36Å; K872-E876 PolarHBondContact O-N 2.73Å
873	I	94.2	Very high	92.8	Very high	33 Å²	33	34.6 Å²	34.6	17%	0.169	19%	0.194	C	C	.	.	H	α-helix	trans	-70.1	-29	-176.6	64.2	172	0	0	0	113.1	R839 D840 Y843 E870 A877	R839-I873 HydrophobicContact CB-CD1 3.67Å; D840-I873 HydrophobicContact CB-CB 4.28Å; D840-I873 HydrophobicContact CB-CG2 4.19Å; Y843-I873 HydrophobicContact CD2-CD1 4.24Å; Y843-I873 HydrophobicContact CD2-CG1 4.32Å; Y843-I873 HydrophobicContact CE2-CD1 3.83Å; Y843-I873 HydrophobicContact CE2-CG1 4.2Å; E870-I873 VanDerWaalsContact O-CG1 3.26Å; E870-I873 WeakPolarHBondContact O-CG1 3.39Å; E870-I873 PolarHBondContact O-N 3.04Å; I873-A877 VanDerWaalsContact O-CB 3.31Å; I873-A877 WeakPolarHBondContact O-CB 3.45Å; I873-A877 PolarHBondContact O-N 3.03Å
874	L	96.5	Very high	93.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-67.9	-42.2	172.6	-70.2	169.5	0	0	0	111	W826 Y843 I858 K861 F862 T865 E870 K871 K872 A877 L878	W826-L874 HydrophobicContact CH2-CD2 3.98Å; W826-L874 HydrophobicContact CZ3-CD2 4.42Å; Y843-L874 HydrophobicContact CD2-CD2 3.79Å; Y843-L874 HydrophobicContact CE2-CD2 3.71Å; Y843-L874 HydrophobicContact CE2-CG 4.36Å; I858-L874 HydrophobicContact CD1-CD2 4.02Å; I858-L874 HydrophobicContact CG2-CB 4.24Å; I858-L874 HydrophobicContact CG2-CD2 3.93Å; I858-L874 WeakPolarHBondContact CG2-O 3.31Å; K861-L874 HydrophobicContact CB-CD1 4.07Å; K861-L874 HydrophobicContact CB-CD2 4.36Å; F862-L874 HydrophobicContact CB-CB 4.12Å; F862-L874 HydrophobicContact CB-CD1 4.49Å; F862-L874 HydrophobicContact CD2-CB 4.49Å; T865-L874 HydrophobicContact CG2-CD1 4.05Å; E870-L874 HydrophobicContact CG-CD1 3.78Å; E870-L874 HydrophobicContact CG-CG 4.2Å; E870-L874 VanDerWaalsContact O-CG 3.27Å; E870-L874 WeakPolarHBondContact O-CG 3.49Å; E870-L874 PolarHBondContact O-N 2.78Å; K871-L874 PolarHBondContact O-N 3.02Å; K872-L874 VanDerWaalsContact C-N 3.34Å; K872-L874 PolarHBondContact O-N 3.01Å; L874-A877 PolarHBondContact O-N 3.09Å; L874-L878 WeakPolarHBondContact O-CG 3.39Å; L874-L878 PolarHBondContact O-N 3.04Å
875	L	95.2	Very high	93.4	Very high	6 Å²	6	36 Å²	36	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-44.5	177.3	-172.7	61.2	0	0	0	111.8	F862 K871 K872 A877 L878 L890 V900 D904 V908	F862-L875 HydrophobicContact CD2-CB 4.04Å; F862-L875 HydrophobicContact CE1-CD1 4.49Å; F862-L875 HydrophobicContact CE2-CB 3.84Å; F862-L875 HydrophobicContact CE2-CD1 4.26Å; F862-L875 HydrophobicContact CE2-CD2 4.18Å; F862-L875 HydrophobicContact CE2-CG 4.33Å; F862-L875 HydrophobicContact CZ-CD1 4.17Å; F862-L875 HydrophobicContact CZ-CD2 4.28Å; K871-L875 WeakPolarHBondContact O-CB 3.45Å; K871-L875 PolarHBondContact O-N 2.82Å; K872-L875 PolarHBondContact O-N 3.44Å; L875-A877 VanDerWaalsContact C-N 3.35Å; L875-A877 PolarHBondContact O-N 3.39Å; L875-L878 HydrophobicContact CD1-CD1 4.25Å; L875-L878 PolarHBondContact O-N 2.93Å; L875-L890 HydrophobicContact CD1-CD1 4.33Å; L875-V900 HydrophobicContact CD2-CG1 4.08Å; L875-D904 HydrophobicContact CD2-CB 3.5Å; L875-V908 HydrophobicContact CD1-CG2 3.91Å; L875-V908 HydrophobicContact CD2-CG2 3.79Å; L875-V908 HydrophobicContact CG-CG2 3.79Å
876	E	95.2	Very high	93.8	Very high	44 Å²	44	34.5 Å²	34.5	21%	0.206	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-44.3	173.8	-71.2	174.4	-175.6	0	0	111.3	K872 L878 T879 H911	K872-E876 WeakPolarHBondContact CE-OE1 3.32Å; K872-E876 WeakPolarHBondContact O-CG 3.36Å; K872-E876 PolarHBondContact O-N 2.73Å; E876-L878 VanDerWaalsContact C-N 3.28Å; E876-L878 PolarHBondContact O-N 3.45Å; E876-T879 WeakPolarHBondContact O-CB 3.42Å; E876-T879 PolarHBondContact O-N 3.07Å; E876-T879 PolarHBondContact O-OG1 3.01Å; E876-H911 IonicContact OE1-CE1 3.36Å; E876-H911 IonicContact OE1-NE2 3.89Å
877	A	97.2	Very high	94.4	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-34.5	-179.8	0	0	0	0	0	113.8	Y843 V847 I858 I873 L874 L875 T879 C880	Y843-A877 HydrophobicContact CG-CB 4.49Å; V847-A877 WeakPolarHBondContact CG1-O 3.43Å; I858-A877 HydrophobicContact CG2-CB 4.49Å; I873-A877 VanDerWaalsContact O-CB 3.31Å; I873-A877 WeakPolarHBondContact O-CB 3.45Å; I873-A877 PolarHBondContact O-N 3.03Å; L874-A877 PolarHBondContact O-N 3.09Å; L875-A877 VanDerWaalsContact C-N 3.35Å; L875-A877 PolarHBondContact O-N 3.39Å; A877-T879 PolarHBondContact O-N 3.43Å; A877-C880 WeakPolarHBondContact O-CB 3.21Å; A877-C880 PolarHBondContact O-N 3.05Å
878	L	97.4	Very high	94.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-25.1	177.1	-67.8	162	0	0	0	112.8	W855 I858 W859 L874 L875 E876 C880 L890	W855-L878 HydrophobicContact CD2-CD2 3.65Å; W855-L878 VanDerWaalsContact CE2-CD2 3.41Å; W855-L878 HydrophobicContact CE3-CD2 4.27Å; W855-L878 HydrophobicContact CG-CD2 3.89Å; W855-L878 HydrophobicContact CH2-CD2 4.38Å; W855-L878 HydrophobicContact CZ2-CB 4.25Å; W855-L878 HydrophobicContact CZ2-CD2 3.81Å; W855-L878 HydrophobicContact CZ2-CG 4.46Å; W855-L878 PolarHBondContact NE1-O 3.13Å; W855-L878 WeakPolarHBondContact O-CD2 3.32Å; I858-L878 HydrophobicContact CB-CD2 3.89Å; I858-L878 HydrophobicContact CB-CG 4.48Å; I858-L878 HydrophobicContact CG2-CD1 4.42Å; I858-L878 HydrophobicContact CG2-CD2 3.7Å; I858-L878 HydrophobicContact CG2-CG 3.73Å; W859-L878 HydrophobicContact CB-CD2 4.11Å; W859-L878 HydrophobicContact CE3-CD1 3.51Å; W859-L878 HydrophobicContact CZ3-CD1 4.07Å; L874-L878 WeakPolarHBondContact O-CG 3.39Å; L874-L878 PolarHBondContact O-N 3.04Å; L875-L878 HydrophobicContact CD1-CD1 4.25Å; L875-L878 PolarHBondContact O-N 2.93Å; E876-L878 VanDerWaalsContact C-N 3.28Å; E876-L878 PolarHBondContact O-N 3.45Å; L878-C880 VanDerWaalsContact C-N 3.27Å; L878-L890 HydrophobicContact CB-CD2 3.83Å
879	T	96.8	Very high	95.1	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.025	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.3	177.3	75.2	0	0	0	0	113.1	E876 A877 S881 L887 L890 H911 V912 N915	E876-T879 WeakPolarHBondContact O-CB 3.42Å; E876-T879 PolarHBondContact O-N 3.07Å; E876-T879 PolarHBondContact O-OG1 3.01Å; A877-T879 PolarHBondContact O-N 3.43Å; T879-S881 VanDerWaalsContact C-N 3.27Å; T879-S881 PolarHBondContact O-N 3.47Å; T879-L887 WeakPolarHBondContact O-CD2 3.39Å; T879-L890 HydrophobicContact CG2-CD2 3.75Å; T879-H911 HydrophobicContact CG2-CB 3.82Å; T879-H911 VanDerWaalsContact OG1-CB 3.29Å; T879-H911 WeakPolarHBondContact OG1-CB 3.41Å; T879-V912 HydrophobicContact CG2-CG2 3.92Å; T879-N915 PolarHBondContact O-ND2 2.97Å
880	C	96.8	Very high	95.4	Very high	24 Å²	24	35.3 Å²	35.3	16%	0.162	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2.6	179.2	-60.9	0	0	0	0	113.8	C844 S848 A877 L878	C844-C880 VanDerWaalsContact CA-SG 3.6Å; C844-C880 HydrophobicContact CB-CB 3.88Å; C844-C880 WeakPolarHBondContact CB-SG 3.42Å; C844-C880 WeakPolarHBondContact O-CB 3.26Å; C844-C880 WeakPolarHBondContact SG-CB 3.25Å; C844-C880 CovalentContact SG-SG 2.03Å; C844-C880 PolarHBondContact SG-SG 3.18Å; S848-C880 VanDerWaalsContact CA-O 3.27Å; S848-C880 WeakPolarHBondContact CA-O 3.45Å; S848-C880 WeakPolarHBondContact CB-O 3.3Å; A877-C880 WeakPolarHBondContact O-CB 3.21Å; A877-C880 PolarHBondContact O-N 3.05Å; L878-C880 VanDerWaalsContact C-N 3.27Å
881	S	96.5	Very high	95.6	Very high	7 Å²	7	34.9 Å²	34.9	5%	0.049	17%	0.173	C	C	.	.			trans	-64.5	137.2	-179.2	-171.5	0	0	0	0	111.9	T879 N883 L887 N915	T879-S881 VanDerWaalsContact C-N 3.27Å; T879-S881 PolarHBondContact O-N 3.47Å; S881-N883 PolarHBondContact O-N 3.02Å; S881-N883 PolarHBondContact OG-N 3.23Å; S881-L887 WeakPolarHBondContact O-CD1 3.44Å; S881-N915 PolarHBondContact O-ND2 3.41Å
882	D	94.1	Very high	95.7	Very high	89 Å²	89	35.3 Å²	35.3	48%	0.476	18%	0.178	S	C	.	.	S	Bend	trans	-77.8	-7.1	171.3	-73.2	10.8	0	0	0	111.9	S848 T884	S848-D882 PolarHBondContact OG-OD1 2.83Å; D882-T884 PolarHBondContact O-N 2.75Å
883	N	95.8	Very high	95.8	Very high	63 Å²	63	34.7 Å²	34.7	34%	0.337	18%	0.177	S	C	.	.			trans	-89.5	105.3	178.8	-173.5	-13	0	0	0	111.5	S881 F885 L886 L887	S881-N883 PolarHBondContact O-N 3.02Å; S881-N883 PolarHBondContact OG-N 3.23Å; N883-F885 PolarHBondContact O-N 3.02Å; N883-F885 VanDerWaalsContact O-N 3.12Å; N883-F885 VanDerWaalsContact OD1-CB 3.3Å; N883-F885 WeakPolarHBondContact OD1-CB 3.47Å; N883-F885 PolarHBondContact OD1-N 3.4Å; N883-L886 HydrophobicContact CB-CB 4.35Å; N883-L886 HydrophobicContact CB-CD1 4.01Å; N883-L886 HydrophobicContact CB-CG 4.13Å; N883-L886 PolarHBondContact O-N 2.99Å; N883-L887 PolarHBondContact O-N 3.34Å
884	T	95.7	Very high	95.6	Very high	68 Å²	68	33.2 Å²	33.2	42%	0.417	17%	0.17	S	C	.	.	H	α-helix	trans	-55.3	-29	178	55.8	0	0	0	0	114.4	D882 N888 Q917 L921	D882-T884 PolarHBondContact O-N 2.75Å; T884-N888 WeakPolarHBondContact O-CB 3.48Å; T884-N888 PolarHBondContact O-N 2.92Å; T884-Q917 HydrophobicContact CG2-CB 4.14Å; T884-L921 HydrophobicContact CG2-CD1 4.42Å
885	F	95.9	Very high	95.2	Very high	126 Å²	126	35 Å²	35	55%	0.553	18%	0.179	S	C	*	.	H	α-helix	trans	-66.2	-43.7	175.1	176.5	-97.1	0	0	0	111.7	N883 N888 R889	N883-F885 PolarHBondContact O-N 3.02Å; N883-F885 VanDerWaalsContact O-N 3.12Å; N883-F885 VanDerWaalsContact OD1-CB 3.3Å; N883-F885 WeakPolarHBondContact OD1-CB 3.47Å; N883-F885 PolarHBondContact OD1-N 3.4Å; F885-N888 PolarHBondContact O-N 3.44Å; F885-R889 WeakPolarHBondContact O-CB 3.39Å; F885-R889 PolarHBondContact O-N 3.03Å
886	L	96.9	Very high	94.7	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-68	-39.6	178.8	-65.7	177.5	0	0	0	111.5	E852 W855 N883 R889 L890	E852-L886 HydrophobicContact CB-CD1 4.36Å; E852-L886 HydrophobicContact CG-CD1 4.1Å; E852-L886 HydrophobicContact CG-CD2 4.17Å; W855-L886 HydrophobicContact CB-CD1 3.95Å; W855-L886 HydrophobicContact CD2-CD1 4.28Å; W855-L886 HydrophobicContact CD2-CD2 4.33Å; W855-L886 HydrophobicContact CE3-CD2 4.34Å; W855-L886 HydrophobicContact CG-CD1 3.82Å; N883-L886 HydrophobicContact CB-CB 4.35Å; N883-L886 HydrophobicContact CB-CD1 4.01Å; N883-L886 HydrophobicContact CB-CG 4.13Å; N883-L886 PolarHBondContact O-N 2.99Å; L886-R889 PolarHBondContact O-N 2.84Å; L886-L890 WeakPolarHBondContact O-CB 3.36Å; L886-L890 PolarHBondContact O-N 3.31Å
887	L	97.3	Very high	93.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-46.2	174	-60.4	-178.8	0	0	0	111.8	T879 S881 N883 R889 L890 L891 V912 Q917 L921	T879-L887 WeakPolarHBondContact O-CD2 3.39Å; S881-L887 WeakPolarHBondContact O-CD1 3.44Å; N883-L887 PolarHBondContact O-N 3.34Å; L887-R889 VanDerWaalsContact C-N 3.35Å; L887-L890 PolarHBondContact O-N 3.35Å; L887-L891 WeakPolarHBondContact O-CG 3.47Å; L887-L891 PolarHBondContact O-N 2.92Å; L887-V912 HydrophobicContact CB-CG1 4.22Å; L887-V912 HydrophobicContact CD2-CG2 4.49Å; L887-Q917 HydrophobicContact CD1-CB 4.33Å; L887-L921 HydrophobicContact CB-CD1 4.21Å
888	N	96.2	Very high	92.7	Very high	66 Å²	66	44.1 Å²	44.1	35%	0.353	24%	0.236	S	C	.	.	H	α-helix	trans	-66.6	-36.3	177	-174.4	62.8	0	0	0	112.1	T884 F885 L891 N892 L921	T884-N888 WeakPolarHBondContact O-CB 3.48Å; T884-N888 PolarHBondContact O-N 2.92Å; F885-N888 PolarHBondContact O-N 3.44Å; N888-L891 PolarHBondContact O-N 2.79Å; N888-N892 PolarHBondContact ND2-ND2 3Å; N888-N892 PolarHBondContact O-N 3.45Å; N888-N892 VanDerWaalsContact O-N 3.1Å; N888-N892 PolarHBondContact O-ND2 3.45Å; N888-L921 HydrophobicContact CB-CD1 4.34Å
889	R	95.6	Very high	92	Very high	75 Å²	75	47 Å²	47	28%	0.283	25%	0.251	S	S	.	.	H	α-helix	trans	-59.6	-49.1	172	176.3	177	166	-161.6	-9.6	110.3	E856 F885 L886 L887 L891 N892 L893	E856-R889 IonicContact OE1-CZ 2.75Å; E856-R889 VanDerWaalsContact OE1-CZ 3.23Å; E856-R889 IonicContact OE1-NH1 3.14Å; E856-R889 PolarHBondContact OE1-NH1 3.1Å; E856-R889 IonicContact OE1-NH2 3.29Å; E856-R889 PolarHBondContact OE1-NH2 3.47Å; E856-R889 IonicContact OE2-NH2 3.91Å; F885-R889 WeakPolarHBondContact O-CB 3.39Å; F885-R889 PolarHBondContact O-N 3.03Å; L886-R889 PolarHBondContact O-N 2.84Å; L887-R889 VanDerWaalsContact C-N 3.35Å; R889-L891 PolarHBondContact O-N 2.89Å; R889-N892 PolarHBondContact O-N 3.1Å; R889-N892 VanDerWaalsContact O-N 3.17Å; R889-L893 HydrophobicContact CG-CD1 3.88Å; R889-L893 HydrophobicContact CG-CG 4.36Å; R889-L893 VanDerWaalsContact O-CG 3.29Å; R889-L893 WeakPolarHBondContact O-CG 3.36Å; R889-L893 PolarHBondContact O-N 3.06Å
890	L	96.3	Very high	91.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-44	178.6	-176.1	60.5	0	0	0	112.5	W855 W859 L875 L878 T879 L886 L887 N892 L893 S894 V908	W855-L890 HydrophobicContact CZ2-CB 4.27Å; W855-L890 HydrophobicContact CZ2-CD1 4.42Å; W859-L890 HydrophobicContact CE3-CD1 4.32Å; W859-L890 HydrophobicContact CH2-CD1 4.34Å; W859-L890 HydrophobicContact CZ3-CD1 3.55Å; L875-L890 HydrophobicContact CD1-CD1 4.33Å; L878-L890 HydrophobicContact CB-CD2 3.83Å; T879-L890 HydrophobicContact CG2-CD2 3.75Å; L886-L890 WeakPolarHBondContact O-CB 3.36Å; L886-L890 PolarHBondContact O-N 3.31Å; L887-L890 PolarHBondContact O-N 3.35Å; L890-N892 VanDerWaalsContact C-N 3.3Å; L890-N892 PolarHBondContact O-N 3.31Å; L890-L893 PolarHBondContact O-N 2.93Å; L890-S894 PolarHBondContact O-N 2.88Å; L890-V908 HydrophobicContact CD2-CG1 4.14Å; L890-V908 HydrophobicContact CG-CG1 3.86Å
891	L	95.6	Very high	90.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.7	-39.9	174.7	-75.3	173.5	0	0	0	112.4	L887 N888 R889 S894 V908 I909 V912 L921 Y925	L887-L891 WeakPolarHBondContact O-CG 3.47Å; L887-L891 PolarHBondContact O-N 2.92Å; N888-L891 PolarHBondContact O-N 2.79Å; R889-L891 PolarHBondContact O-N 2.89Å; L891-S894 PolarHBondContact O-OG 3.09Å; L891-V908 HydrophobicContact CD2-CG1 4.5Å; L891-I909 HydrophobicContact CD2-CG1 4.07Å; L891-V912 HydrophobicContact CD1-CG1 3.93Å; L891-V912 HydrophobicContact CD2-CB 4.21Å; L891-V912 HydrophobicContact CD2-CG1 4.36Å; L891-V912 HydrophobicContact CD2-CG2 4.2Å; L891-V912 HydrophobicContact CG-CB 4.48Å; L891-V912 HydrophobicContact CG-CG1 4.18Å; L891-V912 HydrophobicContact CG-CG2 4.3Å; L891-L921 HydrophobicContact CD1-CB 4.12Å; L891-Y925 HydrophobicContact CB-CD2 3.94Å; L891-Y925 HydrophobicContact CB-CE2 3.92Å; L891-Y925 HydrophobicContact CB-CG 4.34Å; L891-Y925 HydrophobicContact CD1-CD2 4.39Å; L891-Y925 HydrophobicContact CD1-CG 4.25Å; L891-Y925 HydrophobicContact CD2-CD1 4.28Å; L891-Y925 HydrophobicContact CD2-CG 4.39Å; L891-Y925 WeakPolarHBondContact O-CE2 3.37Å; L891-Y925 PolarHBondContact O-OH 2.94Å
892	N	93.4	Very high	89.7	Confident	80 Å²	80	49.2 Å²	49.2	43%	0.428	26%	0.262	S	S	.	.	H	α-helix	trans	-73.1	-35.6	178.1	-71.5	-54.3	0	0	0	112.2	N888 R889 L890 S894	N888-N892 PolarHBondContact ND2-ND2 3Å; N888-N892 PolarHBondContact O-N 3.45Å; N888-N892 VanDerWaalsContact O-N 3.1Å; N888-N892 PolarHBondContact O-ND2 3.45Å; R889-N892 PolarHBondContact O-N 3.1Å; R889-N892 VanDerWaalsContact O-N 3.17Å; L890-N892 VanDerWaalsContact C-N 3.3Å; L890-N892 PolarHBondContact O-N 3.31Å; N892-S894 VanDerWaalsContact C-N 3.31Å
893	L	92.4	Very high	88.9	Confident	39 Å²	39	46.5 Å²	46.5	20%	0.204	25%	0.247	C	C	.	.	H	α-helix	trans	-70.3	-26.4	175.6	-65	175.1	0	0	0	112.6	W859 R889 L890 L895 T896 L899	W859-L893 HydrophobicContact CH2-CB 4.4Å; W859-L893 HydrophobicContact CH2-CD1 3.96Å; W859-L893 HydrophobicContact CZ2-CD1 3.9Å; R889-L893 HydrophobicContact CG-CD1 3.88Å; R889-L893 HydrophobicContact CG-CG 4.36Å; R889-L893 VanDerWaalsContact O-CG 3.29Å; R889-L893 WeakPolarHBondContact O-CG 3.36Å; R889-L893 PolarHBondContact O-N 3.06Å; L890-L893 PolarHBondContact O-N 2.93Å; L893-L895 VanDerWaalsContact C-N 3.29Å; L893-L895 PolarHBondContact O-N 3.36Å; L893-T896 VanDerWaalsContact O-CB 3.3Å; L893-T896 WeakPolarHBondContact O-CB 3.43Å; L893-T896 PolarHBondContact O-N 2.85Å; L893-L899 HydrophobicContact CD2-CD1 3.71Å
894	S	91.3	Very high	88.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-33.7	-175.9	73.1	0	0	0	0	113.2	L890 L891 N892 T896 V905	L890-S894 PolarHBondContact O-N 2.88Å; L891-S894 PolarHBondContact O-OG 3.09Å; N892-S894 VanDerWaalsContact C-N 3.31Å; S894-T896 PolarHBondContact O-N 2.99Å; S894-V905 WeakPolarHBondContact O-CG2 3.39Å
895	L	87.3	Confident	88.1	Confident	38 Å²	38	41 Å²	41	20%	0.199	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-0.7	175.6	-70.6	176.9	0	0	0	114.1	L893 V905 Y925 K929 I932 L933	L893-L895 VanDerWaalsContact C-N 3.29Å; L893-L895 PolarHBondContact O-N 3.36Å; L895-V905 HydrophobicContact CD2-CG1 4.11Å; L895-Y925 WeakPolarHBondContact CD1-OH 3.31Å; L895-Y925 WeakPolarHBondContact CG-OH 3.19Å; L895-K929 HydrophobicContact CD1-CD 4.34Å; L895-K929 HydrophobicContact CD1-CG 4.37Å; L895-I932 HydrophobicContact CD2-CG2 4.37Å; L895-L933 HydrophobicContact CD2-CD2 4.46Å
896	T	85.7	Confident	87.9	Confident	62 Å²	62	35.1 Å²	35.1	38%	0.38	19%	0.189	S	C	.	.			trans	-93.8	100.9	176	-52.9	0	0	0	0	109.5	L893 S894 D898 L899 V900	L893-T896 VanDerWaalsContact O-CB 3.3Å; L893-T896 WeakPolarHBondContact O-CB 3.43Å; L893-T896 PolarHBondContact O-N 2.85Å; S894-T896 PolarHBondContact O-N 2.99Å; T896-D898 PolarHBondContact O-N 2.94Å; T896-D898 VanDerWaalsContact O-N 3.08Å; T896-L899 HydrophobicContact CG2-CB 4.49Å; T896-L899 HydrophobicContact CG2-CD1 4Å; T896-L899 HydrophobicContact CG2-CG 4.01Å; T896-L899 PolarHBondContact O-N 3.3Å; T896-V900 PolarHBondContact O-N 2.99Å; T896-V900 VanDerWaalsContact O-N 3.12Å
897	S	72.4	Confident	87.6	Confident	60 Å²	60	36.3 Å²	36.3	42%	0.42	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.4	-171.6	58.1	0	0	0	0	115.2	L899	S897-L899 VanDerWaalsContact C-N 3.31Å
898	D	76.8	Confident	87.5	Confident	122 Å²	122	36.4 Å²	36.4	65%	0.652	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-15.7	178.6	-63.3	-28.6	0	0	0	112.8	K246 T896	K246-D898 IonicContact NZ-OD1 2.75Å; T896-D898 PolarHBondContact O-N 2.94Å; T896-D898 VanDerWaalsContact O-N 3.08Å
899	L	82.9	Confident	87.5	Confident	62 Å²	62	33.2 Å²	33.2	33%	0.325	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-47	-178.5	-62.5	179.7	0	0	0	112	F862 H863 L893 T896 S897	F862-L899 WeakPolarHBondContact CE1-O 3.38Å; H863-L899 PolarHBondContact CE1-O 2.9Å; L893-L899 HydrophobicContact CD2-CD1 3.71Å; T896-L899 HydrophobicContact CG2-CB 4.49Å; T896-L899 HydrophobicContact CG2-CD1 4Å; T896-L899 HydrophobicContact CG2-CG 4.01Å; T896-L899 PolarHBondContact O-N 3.3Å; S897-L899 VanDerWaalsContact C-N 3.31Å
900	V	84.1	Confident	87.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.171	C	C	.	.	S	Bend	trans	-120.2	126.2	178.1	-179.5	0	0	0	0	108.2	W859 L875 T896 E902 D904 V905 V908	W859-V900 HydrophobicContact CH2-CG2 4.17Å; L875-V900 HydrophobicContact CD2-CG1 4.08Å; T896-V900 PolarHBondContact O-N 2.99Å; T896-V900 VanDerWaalsContact O-N 3.12Å; V900-E902 PolarHBondContact O-N 3.12Å; V900-D904 HydrophobicContact CG1-CB 4.17Å; V900-V905 HydrophobicContact CG1-CG2 4.44Å; V900-V908 HydrophobicContact CG1-CG2 4.4Å
901	P	81.4	Confident	87.4	Confident	44 Å²	44	32.7 Å²	32.7	29%	0.286	18%	0.18	S	C	.	.			trans	-55.9	136.7	175.1	-24.2	34.3	0	0	0	110.9	Q903 D904	P901-Q903 HydrophobicContact CB-CG 4.26Å; P901-Q903 PolarHBondContact O-N 3.31Å; P901-Q903 VanDerWaalsContact O-N 3.07Å; P901-D904 WeakPolarHBondContact CB-OD2 3.46Å; P901-D904 WeakPolarHBondContact CD-OD2 3.27Å; P901-D904 VanDerWaalsContact CG-OD2 3.29Å; P901-D904 WeakPolarHBondContact CG-OD2 3.39Å; P901-D904 PolarHBondContact O-N 2.87Å
902	E	76.6	Confident	87.5	Confident	35 Å²	35	32.7 Å²	32.7	16%	0.164	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.7	-173.2	-65.9	-166.7	152.2	0	0	114.3	K387 V900 D904 R936 Y937	K387-E902 WeakPolarHBondContact CE-OE2 3.42Å; K387-E902 IonicContact NZ-OE2 3.53Å; K387-E902 PolarHBondContact NZ-OE2 2.93Å; V900-E902 PolarHBondContact O-N 3.12Å; E902-D904 VanDerWaalsContact C-N 3.29Å; E902-R936 IonicContact OE1-CZ 3.7Å; E902-R936 IonicContact OE1-NH1 2.85Å; E902-R936 IonicContact OE1-NH2 3.84Å; E902-R936 PolarHBondContact OE1-NH2 3.32Å; E902-Y937 PolarHBondContact O-OH 3.46Å
903	Q	76.3	Confident	87.5	Confident	33 Å²	33	28.9 Å²	28.9	15%	0.154	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-24.9	176	69.5	-159.8	-16.5	0	0	113.2	P386 Q404 P901	P386-Q903 PolarHBondContact O-NE2 2.91Å; P386-Q903 PolarHBondContact O-OE1 2.86Å; Q404-Q903 VanDerWaalsContact NE2-CD 3.33Å; P901-Q903 HydrophobicContact CB-CG 4.26Å; P901-Q903 PolarHBondContact O-N 3.31Å; P901-Q903 VanDerWaalsContact O-N 3.07Å
904	D	86.3	Confident	87.5	Confident	14 Å²	14	33.1 Å²	33.1	8%	0.075	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-8.6	-176.9	-58.7	-32.1	0	0	0	111.9	L875 V900 P901 E902 I906 D907 V908	L875-D904 HydrophobicContact CD2-CB 3.5Å; V900-D904 HydrophobicContact CG1-CB 4.17Å; P901-D904 WeakPolarHBondContact CB-OD2 3.46Å; P901-D904 WeakPolarHBondContact CD-OD2 3.27Å; P901-D904 VanDerWaalsContact CG-OD2 3.29Å; P901-D904 WeakPolarHBondContact CG-OD2 3.39Å; P901-D904 PolarHBondContact O-N 2.87Å; E902-D904 VanDerWaalsContact C-N 3.29Å; D904-I906 VanDerWaalsContact C-N 3.35Å; D904-I906 PolarHBondContact O-N 2.94Å; D904-D907 PolarHBondContact O-N 3.28Å; D904-D907 VanDerWaalsContact O-N 3.14Å; D904-V908 WeakPolarHBondContact O-CG2 3.46Å; D904-V908 PolarHBondContact O-N 3.41Å
905	V	90.1	Very high	87.5	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-43	-177.8	177	0	0	0	0	112.1	S894 L895 V900 D907 V908 I909	S894-V905 WeakPolarHBondContact O-CG2 3.39Å; L895-V905 HydrophobicContact CD2-CG1 4.11Å; V900-V905 HydrophobicContact CG1-CG2 4.44Å; V905-D907 VanDerWaalsContact C-N 3.28Å; V905-D907 PolarHBondContact O-N 2.89Å; V905-V908 PolarHBondContact O-N 3.32Å; V905-I909 HydrophobicContact CG1-CD1 3.99Å; V905-I909 WeakPolarHBondContact O-CG1 3.02Å; V905-I909 PolarHBondContact O-N 2.76Å
906	I	90.7	Very high	87.7	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-44.7	176.8	-66.7	-178.1	0	0	0	109.7	D904 V908 I909 I910 Y937 M943 K946 L947	D904-I906 VanDerWaalsContact C-N 3.35Å; D904-I906 PolarHBondContact O-N 2.94Å; I906-V908 PolarHBondContact O-N 2.56Å; I906-I909 PolarHBondContact O-N 3.34Å; I906-I910 HydrophobicContact CG2-CD1 3.55Å; I906-I910 HydrophobicContact CG2-CG1 4.29Å; I906-I910 VanDerWaalsContact O-CG1 3.25Å; I906-I910 WeakPolarHBondContact O-CG1 3.49Å; I906-I910 PolarHBondContact O-N 3.07Å; I906-Y937 HydrophobicContact CD1-CD1 3.94Å; I906-Y937 HydrophobicContact CD1-CD2 4.07Å; I906-Y937 HydrophobicContact CD1-CE1 4.12Å; I906-Y937 HydrophobicContact CD1-CE2 4.26Å; I906-Y937 HydrophobicContact CD1-CG 3.91Å; I906-Y937 HydrophobicContact CG1-CD2 4.22Å; I906-Y937 HydrophobicContact CG1-CE1 4.41Å; I906-Y937 HydrophobicContact CG1-CE2 4Å; I906-M943 HydrophobicContact CD1-CB 3.67Å; I906-M943 HydrophobicContact CD1-CE 3.61Å; I906-M943 HydrophobicContact CD1-CG 4.29Å; I906-K946 HydrophobicContact CG2-CD 4.15Å; I906-K946 HydrophobicContact CG2-CG 4.28Å; I906-L947 HydrophobicContact CD1-CB 4.41Å; I906-L947 HydrophobicContact CG1-CB 4.47Å; I906-L947 HydrophobicContact CG2-CB 4.03Å; I906-L947 HydrophobicContact CG2-CD1 4.26Å
907	D	91.4	Very high	87.9	Confident	27 Å²	27	37.2 Å²	37.2	14%	0.144	19%	0.193	C	C	.	.	H	α-helix	trans	-64.9	-40.7	-179.9	-71.2	-17.2	0	0	0	111.1	D904 V905 I909 I910 H911 K946	D904-D907 PolarHBondContact O-N 3.28Å; D904-D907 VanDerWaalsContact O-N 3.14Å; V905-D907 VanDerWaalsContact C-N 3.28Å; V905-D907 PolarHBondContact O-N 2.89Å; D907-I909 PolarHBondContact O-N 3.4Å; D907-I910 PolarHBondContact O-N 3.41Å; D907-H911 WeakPolarHBondContact O-CB 3.36Å; D907-H911 PolarHBondContact O-N 3.31Å; D907-H911 PolarHBondContact O-ND1 2.97Å; D907-K946 WeakPolarHBondContact OD1-CE 3.4Å; D907-K946 IonicContact OD1-NZ 2.92Å; D907-K946 PolarHBondContact OD1-NZ 2.86Å; D907-K946 IonicContact OD2-NZ 3.23Å; D907-K946 PolarHBondContact OD2-NZ 3.06Å
908	V	95.3	Very high	89	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.012	17%	0.173	C	C	.	.	H	α-helix	trans	-58.2	-48.4	173.7	172.2	0	0	0	0	111.5	L875 L890 L891 V900 D904 V905 I906 I910 H911 V912	L875-V908 HydrophobicContact CD1-CG2 3.91Å; L875-V908 HydrophobicContact CD2-CG2 3.79Å; L875-V908 HydrophobicContact CG-CG2 3.79Å; L890-V908 HydrophobicContact CD2-CG1 4.14Å; L890-V908 HydrophobicContact CG-CG1 3.86Å; L891-V908 HydrophobicContact CD2-CG1 4.5Å; V900-V908 HydrophobicContact CG1-CG2 4.4Å; D904-V908 WeakPolarHBondContact O-CG2 3.46Å; D904-V908 PolarHBondContact O-N 3.41Å; V905-V908 PolarHBondContact O-N 3.32Å; I906-V908 PolarHBondContact O-N 2.56Å; V908-I910 PolarHBondContact O-N 2.96Å; V908-H911 PolarHBondContact O-N 3.39Å; V908-V912 HydrophobicContact CG1-CG2 4.4Å; V908-V912 WeakPolarHBondContact O-CB 3.38Å; V908-V912 VanDerWaalsContact O-CG2 3.25Å; V908-V912 WeakPolarHBondContact O-CG2 3.23Å; V908-V912 PolarHBondContact O-N 3.24Å
909	I	95.8	Very high	89.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-45.6	-178.8	-64.3	165	0	0	0	110.6	L891 V905 I906 D907 G913 Y925 L933 L947 V951	L891-I909 HydrophobicContact CD2-CG1 4.07Å; V905-I909 HydrophobicContact CG1-CD1 3.99Å; V905-I909 WeakPolarHBondContact O-CG1 3.02Å; V905-I909 PolarHBondContact O-N 2.76Å; I906-I909 PolarHBondContact O-N 3.34Å; D907-I909 PolarHBondContact O-N 3.4Å; I909-G913 PolarHBondContact O-N 2.92Å; I909-Y925 HydrophobicContact CD1-CD1 4.39Å; I909-Y925 HydrophobicContact CD1-CE1 4.12Å; I909-Y925 HydrophobicContact CG1-CD1 4.36Å; I909-Y925 HydrophobicContact CG1-CE1 4.28Å; I909-L933 HydrophobicContact CD1-CD1 4.22Å; I909-L933 HydrophobicContact CD1-CD2 3.92Å; I909-L947 HydrophobicContact CB-CD1 4.21Å; I909-L947 HydrophobicContact CD1-CD1 4.14Å; I909-L947 HydrophobicContact CG2-CD1 3.99Å; I909-V951 HydrophobicContact CG2-CG2 4.45Å
910	I	95.1	Very high	90.1	Very high	24 Å²	24	29.8 Å²	29.8	12%	0.123	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-47.1	-179.8	-67.4	172.4	0	0	0	111.1	I906 D907 V908 V912 G913 R914 K946	I906-I910 HydrophobicContact CG2-CD1 3.55Å; I906-I910 HydrophobicContact CG2-CG1 4.29Å; I906-I910 VanDerWaalsContact O-CG1 3.25Å; I906-I910 WeakPolarHBondContact O-CG1 3.49Å; I906-I910 PolarHBondContact O-N 3.07Å; D907-I910 PolarHBondContact O-N 3.41Å; V908-I910 PolarHBondContact O-N 2.96Å; I910-V912 PolarHBondContact O-N 3.48Å; I910-G913 CarbonylContact O-C 3.18Å; I910-G913 WeakPolarHBondContact O-CA 3.33Å; I910-G913 PolarHBondContact O-N 3.43Å; I910-R914 PolarHBondContact O-N 2.9Å; I910-K946 HydrophobicContact CD1-CD 4.44Å; I910-K946 HydrophobicContact CD1-CG 3.81Å; I910-K946 WeakPolarHBondContact CD1-O 3.37Å
911	H	95.4	Very high	90.7	Very high	39 Å²	39	32 Å²	32	18%	0.181	16%	0.16	C	C	.	.	H	α-helix	trans	-69.3	-34.3	-177.8	-71.4	96.7	0	0	0	112.4	E876 T879 D907 V908 G913 R914 N915	E876-H911 IonicContact OE1-CE1 3.36Å; E876-H911 IonicContact OE1-NE2 3.89Å; T879-H911 HydrophobicContact CG2-CB 3.82Å; T879-H911 VanDerWaalsContact OG1-CB 3.29Å; T879-H911 WeakPolarHBondContact OG1-CB 3.41Å; D907-H911 WeakPolarHBondContact O-CB 3.36Å; D907-H911 PolarHBondContact O-N 3.31Å; D907-H911 PolarHBondContact O-ND1 2.97Å; V908-H911 PolarHBondContact O-N 3.39Å; H911-G913 VanDerWaalsContact C-N 3.29Å; H911-G913 PolarHBondContact O-N 2.86Å; H911-R914 WeakPolarHBondContact O-CB 3.32Å; H911-R914 PolarHBondContact O-N 3.11Å; H911-N915 PolarHBondContact O-N 3.42Å; H911-N915 VanDerWaalsContact O-N 3.17Å
912	V	96.4	Very high	91.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-35.6	168.3	177.3	0	0	0	0	111	T879 L887 L891 V908 I910 R914 N915 G918 R919 A922	T879-V912 HydrophobicContact CG2-CG2 3.92Å; L887-V912 HydrophobicContact CB-CG1 4.22Å; L887-V912 HydrophobicContact CD2-CG2 4.49Å; L891-V912 HydrophobicContact CD1-CG1 3.93Å; L891-V912 HydrophobicContact CD2-CB 4.21Å; L891-V912 HydrophobicContact CD2-CG1 4.36Å; L891-V912 HydrophobicContact CD2-CG2 4.2Å; L891-V912 HydrophobicContact CG-CB 4.48Å; L891-V912 HydrophobicContact CG-CG1 4.18Å; L891-V912 HydrophobicContact CG-CG2 4.3Å; V908-V912 HydrophobicContact CG1-CG2 4.4Å; V908-V912 WeakPolarHBondContact O-CB 3.38Å; V908-V912 VanDerWaalsContact O-CG2 3.25Å; V908-V912 WeakPolarHBondContact O-CG2 3.23Å; V908-V912 PolarHBondContact O-N 3.24Å; I910-V912 PolarHBondContact O-N 3.48Å; V912-R914 VanDerWaalsContact C-N 3.34Å; V912-N915 PolarHBondContact O-N 3.06Å; V912-G918 CarbonylContact O-C 3.59Å; V912-G918 VanDerWaalsContact O-CA 3.26Å; V912-G918 WeakPolarHBondContact O-CA 3.42Å; V912-R919 PolarHBondContact O-N 3Å; V912-A922 HydrophobicContact CB-CB 4.37Å; V912-A922 HydrophobicContact CG1-CB 4.15Å
913	G	93.9	Very high	92.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-36.1	173.3	0	0	0	0	0	114	I909 I910 H911 R919	I909-G913 PolarHBondContact O-N 2.92Å; I910-G913 CarbonylContact O-C 3.18Å; I910-G913 WeakPolarHBondContact O-CA 3.33Å; I910-G913 PolarHBondContact O-N 3.43Å; H911-G913 VanDerWaalsContact C-N 3.29Å; H911-G913 PolarHBondContact O-N 2.86Å; G913-R919 WeakPolarHBondContact O-CB 3.48Å
914	R	91.8	Very high	93.2	Very high	128 Å²	128	32.6 Å²	32.6	48%	0.483	16%	0.157	S	C	.	.	H	α-helix	trans	-67.4	-36.7	175	179	174	-179.8	-178.9	-0.1	112.4	I910 H911 V912 F954	I910-R914 PolarHBondContact O-N 2.9Å; H911-R914 WeakPolarHBondContact O-CB 3.32Å; H911-R914 PolarHBondContact O-N 3.11Å; V912-R914 VanDerWaalsContact C-N 3.34Å; R914-F954 HydrophobicContact CB-CE1 4.09Å; R914-F954 HydrophobicContact CB-CE2 3.86Å; R914-F954 HydrophobicContact CB-CZ 3.52Å; R914-F954 HydrophobicContact CG-CE1 3.82Å; R914-F954 HydrophobicContact CG-CE2 4.38Å; R914-F954 HydrophobicContact CG-CZ 3.54Å
915	N	92.5	Very high	93.7	Very high	15 Å²	15	32.6 Å²	32.6	8%	0.08	16%	0.156	C	C	.	.	S	Bend	trans	-62.6	124.7	177.2	-176.9	-35.2	0	0	0	110.7	T879 S881 H911 V912 Q917 G918 R919	T879-N915 PolarHBondContact O-ND2 2.97Å; S881-N915 PolarHBondContact O-ND2 3.41Å; H911-N915 PolarHBondContact O-N 3.42Å; H911-N915 VanDerWaalsContact O-N 3.17Å; V912-N915 PolarHBondContact O-N 3.06Å; N915-Q917 PolarHBondContact O-N 3.08Å; N915-Q917 VanDerWaalsContact O-N 3.16Å; N915-Q917 WeakPolarHBondContact OD1-CB 3.36Å; N915-Q917 PolarHBondContact OD1-N 3.43Å; N915-G918 CarbonylContact O-C 3.58Å; N915-G918 PolarHBondContact O-N 3Å; N915-G918 PolarHBondContact OD1-N 3.2Å; N915-R919 PolarHBondContact O-N 2.83Å
916	P	89.8	Confident	93.9	Very high	70 Å²	70	32.5 Å²	32.5	46%	0.455	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35	179	-28	35.8	0	0	0	114.1
917	Q	91.8	Very high	94	Very high	102 Å²	102	35.9 Å²	35.9	48%	0.477	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-26.3	176.7	-55.5	-54.3	-38.4	0	0	112.6	T884 L887 N915	T884-Q917 HydrophobicContact CG2-CB 4.14Å; L887-Q917 HydrophobicContact CD1-CB 4.33Å; N915-Q917 PolarHBondContact O-N 3.08Å; N915-Q917 VanDerWaalsContact O-N 3.16Å; N915-Q917 WeakPolarHBondContact OD1-CB 3.36Å; N915-Q917 PolarHBondContact OD1-N 3.43Å
918	G	93.6	Very high	94.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-21	-177.1	0	0	0	0	0	115.1	V912 N915 N920 L921 A922	V912-G918 CarbonylContact O-C 3.59Å; V912-G918 VanDerWaalsContact O-CA 3.26Å; V912-G918 WeakPolarHBondContact O-CA 3.42Å; N915-G918 CarbonylContact O-C 3.58Å; N915-G918 PolarHBondContact O-N 3Å; N915-G918 PolarHBondContact OD1-N 3.2Å; G918-N920 PolarHBondContact O-N 2.85Å; G918-L921 CarbonylContact O-C 3.55Å; G918-L921 WeakPolarHBondContact O-CA 3.17Å; G918-L921 VanDerWaalsContact O-CB 3.28Å; G918-L921 WeakPolarHBondContact O-CB 3.33Å; G918-L921 PolarHBondContact O-N 2.74Å; G918-A922 PolarHBondContact O-N 2.8Å
919	R	92	Very high	94.1	Very high	5 Å²	5	43 Å²	43	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-49.4	-52.7	-172.2	-170.7	173.7	-59.6	157.2	7.3	114.8	D753 V912 G913 N915 L921 A922 W923 F954	D753-R919 IonicContact OD1-NH1 3.87Å; D753-R919 PolarHBondContact OD1-NH1 2.75Å; D753-R919 IonicContact OD2-CZ 3.46Å; D753-R919 VanDerWaalsContact OD2-CZ 3.27Å; D753-R919 IonicContact OD2-NH1 2.73Å; D753-R919 PolarHBondContact OD2-NH1 3.32Å; D753-R919 IonicContact OD2-NH2 3.93Å; D753-R919 PolarHBondContact OD2-NH2 2.95Å; V912-R919 PolarHBondContact O-N 3Å; G913-R919 WeakPolarHBondContact O-CB 3.48Å; N915-R919 PolarHBondContact O-N 2.83Å; R919-L921 VanDerWaalsContact C-N 3.28Å; R919-L921 PolarHBondContact O-N 3.16Å; R919-A922 PolarHBondContact O-N 2.92Å; R919-W923 WeakPolarHBondContact O-CB 3.47Å; R919-W923 PolarHBondContact O-N 3.36Å; R919-F954 WeakPolarHBondContact CD-O 3.4Å; R919-F954 HydrophobicContact CG-CB 4.31Å
920	N	92.8	Very high	93.9	Very high	83 Å²	83	43.4 Å²	43.4	44%	0.444	20%	0.204	S	C	.	.	H	α-helix	trans	-65.5	-33.3	178.9	-70.5	-39	0	0	0	112	G918 K924	G918-N920 PolarHBondContact O-N 2.85Å; N920-K924 VanDerWaalsContact O-CB 3.29Å; N920-K924 WeakPolarHBondContact O-CB 3.35Å; N920-K924 PolarHBondContact O-N 3.23Å; N920-K924 VanDerWaalsContact O-N 3.09Å
921	L	95.8	Very high	93.6	Very high	46 Å²	46	48.6 Å²	48.6	24%	0.241	23%	0.232	C	C	.	.	H	α-helix	trans	-68.2	-47.7	177	-59.7	173.7	0	0	0	110.5	T884 L887 N888 L891 G918 R919 K924 Y925	T884-L921 HydrophobicContact CG2-CD1 4.42Å; L887-L921 HydrophobicContact CB-CD1 4.21Å; N888-L921 HydrophobicContact CB-CD1 4.34Å; L891-L921 HydrophobicContact CD1-CB 4.12Å; G918-L921 CarbonylContact O-C 3.55Å; G918-L921 WeakPolarHBondContact O-CA 3.17Å; G918-L921 VanDerWaalsContact O-CB 3.28Å; G918-L921 WeakPolarHBondContact O-CB 3.33Å; G918-L921 PolarHBondContact O-N 2.74Å; R919-L921 VanDerWaalsContact C-N 3.28Å; R919-L921 PolarHBondContact O-N 3.16Å; L921-K924 PolarHBondContact O-N 2.79Å; L921-Y925 WeakPolarHBondContact O-CB 3.2Å; L921-Y925 PolarHBondContact O-N 2.76Å
922	A	96.3	Very high	93.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-45.6	178.5	0	0	0	0	0	111.9	V912 G918 R919 K924 Y925 F926 V951	V912-A922 HydrophobicContact CB-CB 4.37Å; V912-A922 HydrophobicContact CG1-CB 4.15Å; G918-A922 PolarHBondContact O-N 2.8Å; R919-A922 PolarHBondContact O-N 2.92Å; A922-K924 PolarHBondContact O-N 2.59Å; A922-Y925 PolarHBondContact O-N 3.48Å; A922-F926 VanDerWaalsContact O-CB 3.31Å; A922-F926 WeakPolarHBondContact O-CB 3.37Å; A922-F926 PolarHBondContact O-N 2.88Å; A922-V951 HydrophobicContact CB-CG2 4.37Å
923	W	95.7	Very high	92.9	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-43.2	177.8	175.2	-129.7	0	0	0	112.4	R919 F926 R927 V951 T952 L955 E963 L964 F967	R919-W923 WeakPolarHBondContact O-CB 3.47Å; R919-W923 PolarHBondContact O-N 3.36Å; W923-F926 AromaticContact CE3-CD1 3.87Å; W923-F926 HydrophobicContact CE3-CD1 3.87Å; W923-F926 HydrophobicContact CH2-CD1 4.47Å; W923-F926 AromaticContact CZ3-CD1 3.5Å; W923-F926 HydrophobicContact CZ3-CD1 3.5Å; W923-F926 AromaticContact CZ3-CE1 3.76Å; W923-F926 HydrophobicContact CZ3-CE1 3.76Å; W923-R927 HydrophobicContact CD2-CG 4.39Å; W923-R927 HydrophobicContact CE3-CG 4.35Å; W923-R927 HydrophobicContact CH2-CG 3.94Å; W923-R927 HydrophobicContact CZ2-CG 4Å; W923-R927 HydrophobicContact CZ3-CG 4.14Å; W923-R927 VanDerWaalsContact NE1-CZ 3.27Å; W923-R927 PolarHBondContact O-N 3.42Å; W923-V951 HydrophobicContact CE3-CG1 4.33Å; W923-V951 HydrophobicContact CE3-CG2 4.33Å; W923-V951 HydrophobicContact CZ3-CG1 4.41Å; W923-T952 HydrophobicContact CZ3-CG2 4.01Å; W923-L955 HydrophobicContact CD2-CD1 4.2Å; W923-L955 HydrophobicContact CE3-CD1 4.35Å; W923-L955 HydrophobicContact CG-CD2 4.27Å; W923-L955 HydrophobicContact CZ2-CD1 4.45Å; W923-E963 PolarHBondContact NE1-OE2 2.91Å; W923-L964 HydrophobicContact CH2-CD1 3.75Å; W923-L964 HydrophobicContact CZ2-CB 4.37Å; W923-L964 HydrophobicContact CZ2-CD1 4.43Å; W923-F967 HydrophobicContact CH2-CB 4.33Å; W923-F967 HydrophobicContact CH2-CD1 4.16Å; W923-F967 HydrophobicContact CH2-CG 4.26Å
924	K	95.4	Very high	92.5	Very high	121 Å²	121	52.2 Å²	52.2	53%	0.526	25%	0.252	S	S	.	.	H	α-helix	trans	-62.9	-49.5	173.9	-178.6	-179.1	175.7	-175.4	0	111.3	N920 L921 A922 F926 R927 D928	N920-K924 VanDerWaalsContact O-CB 3.29Å; N920-K924 WeakPolarHBondContact O-CB 3.35Å; N920-K924 PolarHBondContact O-N 3.23Å; N920-K924 VanDerWaalsContact O-N 3.09Å; L921-K924 PolarHBondContact O-N 2.79Å; A922-K924 PolarHBondContact O-N 2.59Å; K924-F926 VanDerWaalsContact C-N 3.32Å; K924-F926 PolarHBondContact O-N 2.83Å; K924-R927 PolarHBondContact O-N 2.69Å; K924-D928 WeakPolarHBondContact CE-OD2 3.24Å; K924-D928 WeakPolarHBondContact CG-OD2 3.44Å; K924-D928 WeakPolarHBondContact O-CB 3.44Å; K924-D928 VanDerWaalsContact O-CG 3.28Å; K924-D928 PolarHBondContact O-N 3.06Å
925	Y	95.6	Very high	92.1	Very high	14 Å²	14	49.6 Å²	49.6	6%	0.055	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-44.1	-179.1	-175.9	-86.9	0	0	0	111.9	L891 L895 I909 L921 A922 R927 D928 K929	L891-Y925 HydrophobicContact CB-CD2 3.94Å; L891-Y925 HydrophobicContact CB-CE2 3.92Å; L891-Y925 HydrophobicContact CB-CG 4.34Å; L891-Y925 HydrophobicContact CD1-CD2 4.39Å; L891-Y925 HydrophobicContact CD1-CG 4.25Å; L891-Y925 HydrophobicContact CD2-CD1 4.28Å; L891-Y925 HydrophobicContact CD2-CG 4.39Å; L891-Y925 WeakPolarHBondContact O-CE2 3.37Å; L891-Y925 PolarHBondContact O-OH 2.94Å; L895-Y925 WeakPolarHBondContact CD1-OH 3.31Å; L895-Y925 WeakPolarHBondContact CG-OH 3.19Å; I909-Y925 HydrophobicContact CD1-CD1 4.39Å; I909-Y925 HydrophobicContact CD1-CE1 4.12Å; I909-Y925 HydrophobicContact CG1-CD1 4.36Å; I909-Y925 HydrophobicContact CG1-CE1 4.28Å; L921-Y925 WeakPolarHBondContact O-CB 3.2Å; L921-Y925 PolarHBondContact O-N 2.76Å; A922-Y925 PolarHBondContact O-N 3.48Å; Y925-R927 PolarHBondContact O-N 2.71Å; Y925-D928 PolarHBondContact O-N 2.99Å; Y925-K929 HydrophobicContact CD1-CG 4.17Å; Y925-K929 HydrophobicContact CD2-CG 4.29Å; Y925-K929 HydrophobicContact CE1-CB 4.31Å; Y925-K929 HydrophobicContact CE1-CG 3.91Å; Y925-K929 HydrophobicContact CE2-CG 4.08Å; Y925-K929 HydrophobicContact CG-CG 4.35Å; Y925-K929 VanDerWaalsContact O-CB 3.27Å; Y925-K929 WeakPolarHBondContact O-CB 3.48Å; Y925-K929 VanDerWaalsContact O-CG 3.31Å; Y925-K929 WeakPolarHBondContact O-CG 3.45Å; Y925-K929 PolarHBondContact O-N 2.74Å
926	F	94.6	Very high	91.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.2	-48	175.9	169.7	-97.2	0	0	0	112	A922 W923 K924 K929 W930 L933 L947 I948 V951 F967	A922-F926 VanDerWaalsContact O-CB 3.31Å; A922-F926 WeakPolarHBondContact O-CB 3.37Å; A922-F926 PolarHBondContact O-N 2.88Å; W923-F926 AromaticContact CE3-CD1 3.87Å; W923-F926 HydrophobicContact CE3-CD1 3.87Å; W923-F926 HydrophobicContact CH2-CD1 4.47Å; W923-F926 AromaticContact CZ3-CD1 3.5Å; W923-F926 HydrophobicContact CZ3-CD1 3.5Å; W923-F926 AromaticContact CZ3-CE1 3.76Å; W923-F926 HydrophobicContact CZ3-CE1 3.76Å; K924-F926 VanDerWaalsContact C-N 3.32Å; K924-F926 PolarHBondContact O-N 2.83Å; F926-K929 PolarHBondContact O-N 3.16Å; F926-W930 HydrophobicContact CE1-CE3 4.16Å; F926-W930 HydrophobicContact CE1-CZ3 4.41Å; F926-W930 AromaticContact CE2-CE3 3.65Å; F926-W930 HydrophobicContact CE2-CE3 3.65Å; F926-W930 AromaticContact CE2-CZ3 3.59Å; F926-W930 HydrophobicContact CE2-CZ3 3.59Å; F926-W930 AromaticContact CZ-CE3 3.44Å; F926-W930 HydrophobicContact CZ-CE3 3.44Å; F926-W930 VanDerWaalsContact CZ-CE3 3.44Å; F926-W930 HydrophobicContact CZ-CH2 4.46Å; F926-W930 AromaticContact CZ-CZ3 3.36Å; F926-W930 HydrophobicContact CZ-CZ3 3.36Å; F926-W930 WeakPolarHBondContact O-CA 3.4Å; F926-W930 PolarHBondContact O-N 3.42Å; F926-L933 HydrophobicContact CD2-CD1 4.04Å; F926-L947 HydrophobicContact CD2-CD1 4.22Å; F926-L947 HydrophobicContact CD2-CD2 4.19Å; F926-L947 HydrophobicContact CD2-CG 4.02Å; F926-L947 HydrophobicContact CE2-CD1 4.5Å; F926-L947 HydrophobicContact CE2-CD2 3.92Å; F926-L947 HydrophobicContact CE2-CG 3.81Å; F926-I948 HydrophobicContact CZ-CG1 4.15Å; F926-V951 HydrophobicContact CB-CG1 4.41Å; F926-V951 HydrophobicContact CB-CG2 3.98Å; F926-V951 HydrophobicContact CD1-CG1 3.95Å; F926-V951 HydrophobicContact CD2-CG1 3.98Å; F926-V951 HydrophobicContact CE1-CG1 4.18Å; F926-V951 HydrophobicContact CE2-CG1 4.21Å; F926-V951 HydrophobicContact CG-CG1 3.84Å; F926-V951 HydrophobicContact CG-CG2 4.32Å; F926-V951 HydrophobicContact CZ-CG1 4.3Å; F926-F967 HydrophobicContact CD1-CZ 4.44Å; F926-F967 HydrophobicContact CE1-CD1 4.43Å; F926-F967 AromaticContact CE1-CE1 3.61Å; F926-F967 HydrophobicContact CE1-CE1 3.61Å; F926-F967 AromaticContact CE1-CZ 3.65Å; F926-F967 HydrophobicContact CE1-CZ 3.65Å; F926-F967 HydrophobicContact CZ-CE1 4.19Å; F926-F967 HydrophobicContact CZ-CZ 4.19Å
927	R	93.5	Very high	91.4	Very high	72 Å²	72	49.1 Å²	49.1	27%	0.272	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-46.3	176.8	-69.4	-169.8	-69.1	-171.4	-8.2	112.2	W923 K924 Y925 K929 W930 E963 F967	W923-R927 HydrophobicContact CD2-CG 4.39Å; W923-R927 HydrophobicContact CE3-CG 4.35Å; W923-R927 HydrophobicContact CH2-CG 3.94Å; W923-R927 HydrophobicContact CZ2-CG 4Å; W923-R927 HydrophobicContact CZ3-CG 4.14Å; W923-R927 VanDerWaalsContact NE1-CZ 3.27Å; W923-R927 PolarHBondContact O-N 3.42Å; K924-R927 PolarHBondContact O-N 2.69Å; Y925-R927 PolarHBondContact O-N 2.71Å; R927-K929 PolarHBondContact O-N 2.72Å; R927-W930 PolarHBondContact O-N 2.9Å; R927-E963 IonicContact CZ-OE2 2.8Å; R927-E963 VanDerWaalsContact CZ-OE2 3.29Å; R927-E963 IonicContact NH1-OE2 2.63Å; R927-E963 PolarHBondContact NH1-OE2 2.87Å; R927-E963 VanDerWaalsContact NH1-OE2 3.14Å; R927-E963 IonicContact NH2-OE2 2.93Å; R927-E963 PolarHBondContact NH2-OE2 2.92Å; R927-F967 HydrophobicContact CB-CD2 4.31Å; R927-F967 HydrophobicContact CB-CE2 4.35Å; R927-F967 HydrophobicContact CG-CD2 3.69Å; R927-F967 HydrophobicContact CG-CE2 3.99Å; R927-F967 HydrophobicContact CG-CG 4.19Å
928	D	94.5	Very high	90.8	Very high	105 Å²	105	45 Å²	45	56%	0.561	23%	0.231	S	C	*	.	H	α-helix	trans	-65.9	-24.6	-178.2	-70.4	-6.7	0	0	0	112.6	K924 Y925	K924-D928 WeakPolarHBondContact CE-OD2 3.24Å; K924-D928 WeakPolarHBondContact CG-OD2 3.44Å; K924-D928 WeakPolarHBondContact O-CB 3.44Å; K924-D928 VanDerWaalsContact O-CG 3.28Å; K924-D928 PolarHBondContact O-N 3.06Å; Y925-D928 PolarHBondContact O-N 2.99Å
929	K	93.7	Very high	90	Very high	73 Å²	73	49 Å²	49	32%	0.317	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	11.9	-177.8	-57.7	-60.8	179.1	-174.2	0	113.6	L895 Y925 F926 R927 D931 I932 L933	L895-K929 HydrophobicContact CD1-CD 4.34Å; L895-K929 HydrophobicContact CD1-CG 4.37Å; Y925-K929 HydrophobicContact CD1-CG 4.17Å; Y925-K929 HydrophobicContact CD2-CG 4.29Å; Y925-K929 HydrophobicContact CE1-CB 4.31Å; Y925-K929 HydrophobicContact CE1-CG 3.91Å; Y925-K929 HydrophobicContact CE2-CG 4.08Å; Y925-K929 HydrophobicContact CG-CG 4.35Å; Y925-K929 VanDerWaalsContact O-CB 3.27Å; Y925-K929 WeakPolarHBondContact O-CB 3.48Å; Y925-K929 VanDerWaalsContact O-CG 3.31Å; Y925-K929 WeakPolarHBondContact O-CG 3.45Å; Y925-K929 PolarHBondContact O-N 2.74Å; F926-K929 PolarHBondContact O-N 3.16Å; R927-K929 PolarHBondContact O-N 2.72Å; K929-D931 VanDerWaalsContact C-N 3.31Å; K929-D931 PolarHBondContact O-N 3.01Å; K929-I932 HydrophobicContact CD-CD1 4.18Å; K929-I932 PolarHBondContact O-N 3.1Å; K929-I932 VanDerWaalsContact O-N 3.09Å; K929-L933 HydrophobicContact CB-CD1 4.12Å; K929-L933 HydrophobicContact CB-CG 4.35Å; K929-L933 WeakPolarHBondContact O-CG 3.4Å; K929-L933 PolarHBondContact O-N 3.42Å
930	W	91.1	Very high	89.4	Confident	9 Å²	9	48.8 Å²	48.8	3%	0.034	25%	0.249	C	C	.	.	H	α-helix	trans	-53	-45.7	-174.1	176	-111.3	0	0	0	112.9	F926 R927 I932 L933 N934 I948 F967	F926-W930 HydrophobicContact CE1-CE3 4.16Å; F926-W930 HydrophobicContact CE1-CZ3 4.41Å; F926-W930 AromaticContact CE2-CE3 3.65Å; F926-W930 HydrophobicContact CE2-CE3 3.65Å; F926-W930 AromaticContact CE2-CZ3 3.59Å; F926-W930 HydrophobicContact CE2-CZ3 3.59Å; F926-W930 AromaticContact CZ-CE3 3.44Å; F926-W930 HydrophobicContact CZ-CE3 3.44Å; F926-W930 VanDerWaalsContact CZ-CE3 3.44Å; F926-W930 HydrophobicContact CZ-CH2 4.46Å; F926-W930 AromaticContact CZ-CZ3 3.36Å; F926-W930 HydrophobicContact CZ-CZ3 3.36Å; F926-W930 WeakPolarHBondContact O-CA 3.4Å; F926-W930 PolarHBondContact O-N 3.42Å; R927-W930 PolarHBondContact O-N 2.9Å; W930-I932 VanDerWaalsContact C-N 3.28Å; W930-I932 PolarHBondContact O-N 3.24Å; W930-L933 PolarHBondContact O-N 2.89Å; W930-N934 HydrophobicContact CD2-CB 4.16Å; W930-N934 HydrophobicContact CH2-CB 4.29Å; W930-N934 HydrophobicContact CZ2-CB 3.92Å; W930-N934 WeakPolarHBondContact O-CB 3.31Å; W930-N934 PolarHBondContact O-N 3.46Å; W930-I948 HydrophobicContact CH2-CD1 4.18Å; W930-I948 HydrophobicContact CH2-CG1 4.43Å; W930-I948 HydrophobicContact CZ3-CG1 4.35Å; W930-F967 HydrophobicContact CB-CE2 4.15Å; W930-F967 HydrophobicContact CB-CZ 4.23Å; W930-F967 HydrophobicContact CD2-CE2 4.4Å; W930-F967 AromaticContact CD2-CZ 3.66Å; W930-F967 HydrophobicContact CD2-CZ 3.66Å; W930-F967 AromaticContact CE3-CZ 3.92Å; W930-F967 HydrophobicContact CE3-CZ 3.92Å; W930-F967 HydrophobicContact CG-CE2 4.05Å; W930-F967 AromaticContact CG-CZ 3.79Å; W930-F967 HydrophobicContact CG-CZ 3.79Å
931	D	89.3	Confident	88.5	Confident	133 Å²	133	45.6 Å²	45.6	71%	0.711	23%	0.232	S	C	*	.	H	α-helix	trans	-59.2	-39.5	-178.4	-61.6	-29.2	0	0	0	112.5	K929 A935	K929-D931 VanDerWaalsContact C-N 3.31Å; K929-D931 PolarHBondContact O-N 3.01Å; D931-A935 WeakPolarHBondContact O-CB 3.22Å; D931-A935 PolarHBondContact O-N 3.29Å
932	I	89.3	Confident	87.7	Confident	78 Å²	78	45.3 Å²	45.3	40%	0.4	23%	0.229	S	C	.	.	H	α-helix	trans	-70.7	-45.3	178.2	-61.6	170	0	0	0	110.3	L895 K929 W930 R936	L895-I932 HydrophobicContact CD2-CG2 4.37Å; K929-I932 HydrophobicContact CD-CD1 4.18Å; K929-I932 PolarHBondContact O-N 3.1Å; K929-I932 VanDerWaalsContact O-N 3.09Å; W930-I932 VanDerWaalsContact C-N 3.28Å; W930-I932 PolarHBondContact O-N 3.24Å; I932-R936 WeakPolarHBondContact O-CB 3.3Å; I932-R936 PolarHBondContact O-N 3.05Å; I932-R936 VanDerWaalsContact O-N 3.12Å
933	L	88.6	Confident	87.1	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-67.3	-42.6	-178	-65	170	0	0	0	111.2	L895 I909 F926 K929 W930 R936 Y937 L947	L895-L933 HydrophobicContact CD2-CD2 4.46Å; I909-L933 HydrophobicContact CD1-CD1 4.22Å; I909-L933 HydrophobicContact CD1-CD2 3.92Å; F926-L933 HydrophobicContact CD2-CD1 4.04Å; K929-L933 HydrophobicContact CB-CD1 4.12Å; K929-L933 HydrophobicContact CB-CG 4.35Å; K929-L933 WeakPolarHBondContact O-CG 3.4Å; K929-L933 PolarHBondContact O-N 3.42Å; W930-L933 PolarHBondContact O-N 2.89Å; L933-R936 PolarHBondContact O-N 2.98Å; L933-Y937 HydrophobicContact CD2-CD2 4.37Å; L933-Y937 HydrophobicContact CD2-CE2 4.02Å; L933-Y937 VanDerWaalsContact O-CD2 3.3Å; L933-Y937 WeakPolarHBondContact O-CD2 3.4Å; L933-Y937 PolarHBondContact O-N 3.25Å; L933-L947 HydrophobicContact CB-CD2 4.05Å; L933-L947 HydrophobicContact CD1-CD2 4.19Å; L933-L947 HydrophobicContact CD2-CD2 4.39Å; L933-L947 HydrophobicContact CG-CD2 4.43Å
934	N	85.3	Confident	86.5	Confident	36 Å²	36	46.6 Å²	46.6	19%	0.193	24%	0.236	C	C	.	.	H	α-helix	trans	-69.4	-38.9	178.2	-171.1	59.9	0	0	0	111.7	W930 R936 G938	W930-N934 HydrophobicContact CD2-CB 4.16Å; W930-N934 HydrophobicContact CH2-CB 4.29Å; W930-N934 HydrophobicContact CZ2-CB 3.92Å; W930-N934 WeakPolarHBondContact O-CB 3.31Å; W930-N934 PolarHBondContact O-N 3.46Å; N934-R936 VanDerWaalsContact C-N 3.28Å; N934-R936 PolarHBondContact O-N 2.94Å; N934-G938 WeakPolarHBondContact O-CA 3.36Å; N934-G938 PolarHBondContact O-N 2.84Å
935	A	83.8	Confident	86	Confident	74 Å²	74	42.5 Å²	42.5	61%	0.612	22%	0.222	S	C	*	.	H	α-helix	trans	-62	-37.1	173.1	0	0	0	0	0	112.3	D931	D931-A935 WeakPolarHBondContact O-CB 3.22Å; D931-A935 PolarHBondContact O-N 3.29Å
936	R	83.1	Confident	85.7	Confident	72 Å²	72	46.8 Å²	46.8	27%	0.272	24%	0.241	S	C	.	.	H	α-helix	trans	-82	-38.3	-176.5	-171.5	178.4	-73.6	-179.1	-6.8	113.9	E902 I932 L933 N934	E902-R936 IonicContact OE1-CZ 3.7Å; E902-R936 IonicContact OE1-NH1 2.85Å; E902-R936 IonicContact OE1-NH2 3.84Å; E902-R936 PolarHBondContact OE1-NH2 3.32Å; I932-R936 WeakPolarHBondContact O-CB 3.3Å; I932-R936 PolarHBondContact O-N 3.05Å; I932-R936 VanDerWaalsContact O-N 3.12Å; L933-R936 PolarHBondContact O-N 2.98Å; N934-R936 VanDerWaalsContact C-N 3.28Å; N934-R936 PolarHBondContact O-N 2.94Å
937	Y	83.3	Confident	85.5	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-122.1	-5.9	-169.7	-50.8	-65.9	0	0	0	113.8	E902 I906 L933 E939 A940 M943 N944	E902-Y937 PolarHBondContact O-OH 3.46Å; I906-Y937 HydrophobicContact CD1-CD1 3.94Å; I906-Y937 HydrophobicContact CD1-CD2 4.07Å; I906-Y937 HydrophobicContact CD1-CE1 4.12Å; I906-Y937 HydrophobicContact CD1-CE2 4.26Å; I906-Y937 HydrophobicContact CD1-CG 3.91Å; I906-Y937 HydrophobicContact CG1-CD2 4.22Å; I906-Y937 HydrophobicContact CG1-CE1 4.41Å; I906-Y937 HydrophobicContact CG1-CE2 4Å; L933-Y937 HydrophobicContact CD2-CD2 4.37Å; L933-Y937 HydrophobicContact CD2-CE2 4.02Å; L933-Y937 VanDerWaalsContact O-CD2 3.3Å; L933-Y937 WeakPolarHBondContact O-CD2 3.4Å; L933-Y937 PolarHBondContact O-N 3.25Å; Y937-E939 PolarHBondContact O-N 3.48Å; Y937-A940 WeakPolarHBondContact O-CB 3.44Å; Y937-A940 PolarHBondContact O-N 3.25Å; Y937-M943 HydrophobicContact CD1-CB 4.37Å; Y937-M943 HydrophobicContact CD1-CE 3.56Å; Y937-M943 HydrophobicContact CD1-SD 3.89Å; Y937-M943 HydrophobicContact CE1-CE 3.5Å; Y937-M943 VanDerWaalsContact CE1-CE 3.5Å; Y937-M943 HydrophobicContact CE1-SD 4.35Å; Y937-N944 WeakPolarHBondContact O-CB 3.35Å
938	G	78.9	Confident	85.3	Confident	15 Å²	15	43.4 Å²	43.4	16%	0.155	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-39.6	-169.3	0	0	0	0	0	114.2	N934 A940 N944	N934-G938 WeakPolarHBondContact O-CA 3.36Å; N934-G938 PolarHBondContact O-N 2.84Å; G938-A940 VanDerWaalsContact C-N 3.35Å; G938-N944 PolarHBondContact O-ND2 2.94Å
939	E	78.7	Confident	85.2	Confident	84 Å²	84	40 Å²	40	39%	0.393	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-14	174.9	-63.9	-173.2	-164.5	0	0	113	R163 L233 K261 Y937 L941	R163-E939 IonicContact NH2-OE1 2.68Å; R163-E939 PolarHBondContact NH2-OE1 2.85Å; L233-E939 HydrophobicContact CD1-CB 3.63Å; K261-E939 IonicContact NZ-OE2 3.85Å; K261-E939 PolarHBondContact NZ-OE2 2.78Å; Y937-E939 PolarHBondContact O-N 3.48Å; E939-L941 PolarHBondContact O-N 2.97Å
940	A	78.4	Confident	85.1	Confident	2 Å²	2	37 Å²	37	2%	0.017	21%	0.208	C	C	.	.			trans	-86.9	90.7	178.9	0	0	0	0	0	110.2	P389 Y937 G938 F942 M943 N944	P389-A940 HydrophobicContact CB-CB 4.2Å; Y937-A940 WeakPolarHBondContact O-CB 3.44Å; Y937-A940 PolarHBondContact O-N 3.25Å; G938-A940 VanDerWaalsContact C-N 3.35Å; A940-F942 PolarHBondContact O-N 3.11Å; A940-F942 VanDerWaalsContact O-N 3.15Å; A940-M943 HydrophobicContact CB-CB 4.02Å; A940-M943 HydrophobicContact CB-CG 4.22Å; A940-M943 HydrophobicContact CB-SD 4.22Å; A940-M943 PolarHBondContact O-N 3.32Å; A940-N944 PolarHBondContact O-N 2.83Å
941	L	74	Confident	85.1	Confident	15 Å²	15	36.7 Å²	36.7	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-36.8	-59.8	-170.7	-52	-172.6	0	0	0	114.5	P256 I505 D506 F509 E939 S945	P256-L941 HydrophobicContact CG-CD1 4.25Å; I505-L941 HydrophobicContact CG2-CD1 4.44Å; D506-L941 HydrophobicContact CB-CD2 3.84Å; D506-L941 WeakPolarHBondContact OD1-CD2 3.22Å; D506-L941 WeakPolarHBondContact OD2-CD2 3.35Å; F509-L941 HydrophobicContact CB-CD1 3.66Å; F509-L941 HydrophobicContact CG-CD1 4.14Å; E939-L941 PolarHBondContact O-N 2.97Å; L941-S945 WeakPolarHBondContact O-CB 3.46Å; L941-S945 PolarHBondContact O-N 2.78Å
942	F	78.3	Confident	85.3	Confident	40 Å²	40	30.5 Å²	30.5	18%	0.175	17%	0.174	C	C	.	.	H	α-helix	trans	-71.7	-35.7	-176.6	-78	-74.1	0	0	0	113.2	Y390 Y514 A940 K946	Y390-F942 HydrophobicContact CD1-CB 4.39Å; Y390-F942 AromaticContact CD1-CD2 3.8Å; Y390-F942 HydrophobicContact CD1-CD2 3.8Å; Y390-F942 HydrophobicContact CE1-CB 4.41Å; Y390-F942 AromaticContact CE1-CD2 3.67Å; Y390-F942 HydrophobicContact CE1-CD2 3.67Å; Y514-F942 HydrophobicContact CD2-CZ 4.14Å; Y514-F942 HydrophobicContact CE2-CE1 4.46Å; Y514-F942 HydrophobicContact CE2-CE2 4.11Å; Y514-F942 AromaticContact CE2-CZ 3.46Å; Y514-F942 HydrophobicContact CE2-CZ 3.46Å; Y514-F942 VanDerWaalsContact CE2-CZ 3.46Å; Y514-F942 AromaticContact CZ-CZ 3.81Å; A940-F942 PolarHBondContact O-N 3.11Å; A940-F942 VanDerWaalsContact O-N 3.15Å; F942-K946 WeakPolarHBondContact O-CB 3.49Å; F942-K946 PolarHBondContact O-N 3.11Å
943	M	84.1	Confident	85.3	Confident	18 Å²	18	30 Å²	30	9%	0.089	17%	0.17	C	C	.	.	H	α-helix	trans	-68.8	-44.4	-178.7	-67	-170.9	84.2	0	0	111.2	L232 P389 I906 Y937 A940 K946 L947	L232-M943 HydrophobicContact CD1-CE 4.22Å; L232-M943 HydrophobicContact CD1-SD 3.53Å; L232-M943 VanDerWaalsContact CD1-SD 3.53Å; P389-M943 HydrophobicContact CB-SD 4.24Å; P389-M943 WeakPolarHBondContact O-CG 3.35Å; I906-M943 HydrophobicContact CD1-CB 3.67Å; I906-M943 HydrophobicContact CD1-CE 3.61Å; I906-M943 HydrophobicContact CD1-CG 4.29Å; Y937-M943 HydrophobicContact CD1-CB 4.37Å; Y937-M943 HydrophobicContact CD1-CE 3.56Å; Y937-M943 HydrophobicContact CD1-SD 3.89Å; Y937-M943 HydrophobicContact CE1-CE 3.5Å; Y937-M943 VanDerWaalsContact CE1-CE 3.5Å; Y937-M943 HydrophobicContact CE1-SD 4.35Å; A940-M943 HydrophobicContact CB-CB 4.02Å; A940-M943 HydrophobicContact CB-CG 4.22Å; A940-M943 HydrophobicContact CB-SD 4.22Å; A940-M943 PolarHBondContact O-N 3.32Å; M943-K946 PolarHBondContact O-N 3.47Å; M943-L947 WeakPolarHBondContact O-CB 3.35Å; M943-L947 PolarHBondContact O-N 3.38Å
944	N	82.9	Confident	85.4	Confident	13 Å²	13	30.4 Å²	30.4	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-49.4	177.7	-166.3	7.5	0	0	0	111.4	Y937 G938 A940 K946 L947 I948	Y937-N944 WeakPolarHBondContact O-CB 3.35Å; G938-N944 PolarHBondContact O-ND2 2.94Å; A940-N944 PolarHBondContact O-N 2.83Å; N944-K946 VanDerWaalsContact C-N 3.34Å; N944-K946 PolarHBondContact O-N 2.9Å; N944-L947 PolarHBondContact O-N 2.88Å; N944-I948 WeakPolarHBondContact O-CG1 3.47Å; N944-I948 PolarHBondContact O-N 2.92Å; N944-I948 VanDerWaalsContact OD1-CD1 3.25Å; N944-I948 WeakPolarHBondContact OD1-CD1 3.4Å
945	S	85	Confident	85.8	Confident	35 Å²	35	28.7 Å²	28.7	25%	0.245	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-42.4	177.9	-172.2	0	0	0	0	112.1	L941 G949	L941-S945 WeakPolarHBondContact O-CB 3.46Å; L941-S945 PolarHBondContact O-N 2.78Å; S945-G949 PolarHBondContact O-N 3.02Å
946	K	88.9	Confident	86.2	Confident	104 Å²	104	25.6 Å²	25.6	45%	0.452	14%	0.136	S	C	.	.	H	α-helix	trans	-60.1	-46.2	175.1	-175.1	-174	-173.3	-170.7	0	111.8	I906 D907 I910 F942 M943 N944 G950	I906-K946 HydrophobicContact CG2-CD 4.15Å; I906-K946 HydrophobicContact CG2-CG 4.28Å; D907-K946 WeakPolarHBondContact OD1-CE 3.4Å; D907-K946 IonicContact OD1-NZ 2.92Å; D907-K946 PolarHBondContact OD1-NZ 2.86Å; D907-K946 IonicContact OD2-NZ 3.23Å; D907-K946 PolarHBondContact OD2-NZ 3.06Å; I910-K946 HydrophobicContact CD1-CD 4.44Å; I910-K946 HydrophobicContact CD1-CG 3.81Å; I910-K946 WeakPolarHBondContact CD1-O 3.37Å; F942-K946 WeakPolarHBondContact O-CB 3.49Å; F942-K946 PolarHBondContact O-N 3.11Å; M943-K946 PolarHBondContact O-N 3.47Å; N944-K946 VanDerWaalsContact C-N 3.34Å; N944-K946 PolarHBondContact O-N 2.9Å; K946-G950 PolarHBondContact O-N 3.44Å
947	L	90.3	Very high	86.7	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-51	179.8	177.3	62.7	0	0	0	111.8	I906 I909 F926 L933 M943 N944 G950 V951	I906-L947 HydrophobicContact CD1-CB 4.41Å; I906-L947 HydrophobicContact CG1-CB 4.47Å; I906-L947 HydrophobicContact CG2-CB 4.03Å; I906-L947 HydrophobicContact CG2-CD1 4.26Å; I909-L947 HydrophobicContact CB-CD1 4.21Å; I909-L947 HydrophobicContact CD1-CD1 4.14Å; I909-L947 HydrophobicContact CG2-CD1 3.99Å; F926-L947 HydrophobicContact CD2-CD1 4.22Å; F926-L947 HydrophobicContact CD2-CD2 4.19Å; F926-L947 HydrophobicContact CD2-CG 4.02Å; F926-L947 HydrophobicContact CE2-CD1 4.5Å; F926-L947 HydrophobicContact CE2-CD2 3.92Å; F926-L947 HydrophobicContact CE2-CG 3.81Å; L933-L947 HydrophobicContact CB-CD2 4.05Å; L933-L947 HydrophobicContact CD1-CD2 4.19Å; L933-L947 HydrophobicContact CD2-CD2 4.39Å; L933-L947 HydrophobicContact CG-CD2 4.43Å; M943-L947 WeakPolarHBondContact O-CB 3.35Å; M943-L947 PolarHBondContact O-N 3.38Å; N944-L947 PolarHBondContact O-N 2.88Å; L947-G950 PolarHBondContact O-N 3.01Å; L947-V951 WeakPolarHBondContact O-CG1 3.36Å; L947-V951 PolarHBondContact O-N 3.34Å; L947-V951 VanDerWaalsContact O-N 3.08Å
948	I	90.9	Very high	87.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-51	179.6	-68.5	165.2	0	0	0	110.3	F926 W930 N944 T952 A975 A978 L979 A982	F926-I948 HydrophobicContact CZ-CG1 4.15Å; W930-I948 HydrophobicContact CH2-CD1 4.18Å; W930-I948 HydrophobicContact CH2-CG1 4.43Å; W930-I948 HydrophobicContact CZ3-CG1 4.35Å; N944-I948 WeakPolarHBondContact O-CG1 3.47Å; N944-I948 PolarHBondContact O-N 2.92Å; N944-I948 VanDerWaalsContact OD1-CD1 3.25Å; N944-I948 WeakPolarHBondContact OD1-CD1 3.4Å; I948-T952 WeakPolarHBondContact O-CB 3.26Å; I948-T952 WeakPolarHBondContact O-CG2 3.34Å; I948-T952 PolarHBondContact O-N 3.49Å; I948-T952 PolarHBondContact O-OG1 3.33Å; I948-A975 HydrophobicContact CD1-CB 4.33Å; I948-A978 HydrophobicContact CB-CB 4.22Å; I948-A978 HydrophobicContact CD1-CB 3.91Å; I948-A978 HydrophobicContact CG2-CB 4.15Å; I948-L979 HydrophobicContact CD1-CG 4.31Å; I948-L979 HydrophobicContact CG2-CD2 3.69Å; I948-L979 HydrophobicContact CG2-CG 4.21Å; I948-A982 HydrophobicContact CG2-CB 4.1Å
949	G	90.8	Very high	88.1	Confident	33 Å²	33	36 Å²	36	34%	0.34	18%	0.18	S	C	.	.	H	α-helix	trans	-60.2	-49.4	179.2	0	0	0	0	0	111.9	S945 V951 T952 E953	S945-G949 PolarHBondContact O-N 3.02Å; G949-V951 PolarHBondContact O-N 3.29Å; G949-T952 PolarHBondContact O-N 3.45Å; G949-T952 PolarHBondContact O-OG1 3.06Å; G949-E953 VanDerWaalsContact O-CB 3.32Å; G949-E953 WeakPolarHBondContact O-CB 3.29Å; G949-E953 PolarHBondContact O-N 3.28Å
950	G	91.5	Very high	88.9	Confident	10 Å²	10	32 Å²	32	10%	0.103	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-35	-175.2	0	0	0	0	0	114.5	K946 L947	K946-G950 PolarHBondContact O-N 3.44Å; L947-G950 PolarHBondContact O-N 3.01Å
951	V	92.3	Very high	89.7	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-78	-28.6	177.2	77.3	0	0	0	0	112.7	I909 A922 W923 F926 L947 G949	I909-V951 HydrophobicContact CG2-CG2 4.45Å; A922-V951 HydrophobicContact CB-CG2 4.37Å; W923-V951 HydrophobicContact CE3-CG1 4.33Å; W923-V951 HydrophobicContact CE3-CG2 4.33Å; W923-V951 HydrophobicContact CZ3-CG1 4.41Å; F926-V951 HydrophobicContact CB-CG1 4.41Å; F926-V951 HydrophobicContact CB-CG2 3.98Å; F926-V951 HydrophobicContact CD1-CG1 3.95Å; F926-V951 HydrophobicContact CD2-CG1 3.98Å; F926-V951 HydrophobicContact CE1-CG1 4.18Å; F926-V951 HydrophobicContact CE2-CG1 4.21Å; F926-V951 HydrophobicContact CG-CG1 3.84Å; F926-V951 HydrophobicContact CG-CG2 4.32Å; F926-V951 HydrophobicContact CZ-CG1 4.3Å; L947-V951 WeakPolarHBondContact O-CG1 3.36Å; L947-V951 PolarHBondContact O-N 3.34Å; L947-V951 VanDerWaalsContact O-N 3.08Å; G949-V951 PolarHBondContact O-N 3.29Å
952	T	93.3	Very high	90.8	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-93.9	-21.1	-176	58.6	0	0	0	0	114.1	W923 I948 G949 F954 L955 L964 A982	W923-T952 HydrophobicContact CZ3-CG2 4.01Å; I948-T952 WeakPolarHBondContact O-CB 3.26Å; I948-T952 WeakPolarHBondContact O-CG2 3.34Å; I948-T952 PolarHBondContact O-N 3.49Å; I948-T952 PolarHBondContact O-OG1 3.33Å; G949-T952 PolarHBondContact O-N 3.45Å; G949-T952 PolarHBondContact O-OG1 3.06Å; T952-F954 PolarHBondContact O-N 3Å; T952-L955 HydrophobicContact CG2-CD1 4.17Å; T952-L955 WeakPolarHBondContact O-CB 3.18Å; T952-L955 WeakPolarHBondContact O-CG 3.47Å; T952-L955 PolarHBondContact O-N 3.15Å; T952-L964 HydrophobicContact CG2-CD1 4.12Å; T952-A982 HydrophobicContact CG2-CB 4.27Å; T952-A982 VanDerWaalsContact OG1-CB 3.28Å; T952-A982 WeakPolarHBondContact OG1-CB 3.39Å
953	E	89.8	Confident	91.6	Very high	68 Å²	68	35.2 Å²	35.2	32%	0.318	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-32.4	-174.5	-169.4	-173.6	-169.5	0	0	113.5	K750 G949 N989	K750-E953 IonicContact NZ-OE1 3.13Å; K750-E953 PolarHBondContact NZ-OE1 3.29Å; K750-E953 IonicContact NZ-OE2 2.68Å; K750-E953 PolarHBondContact NZ-OE2 3.21Å; G949-E953 VanDerWaalsContact O-CB 3.32Å; G949-E953 WeakPolarHBondContact O-CB 3.29Å; G949-E953 PolarHBondContact O-N 3.28Å; E953-N989 PolarHBondContact O-ND2 3.33Å
954	F	89.4	Confident	92.1	Very high	10 Å²	10	34.3 Å²	34.3	4%	0.044	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	1	-176.8	-55.7	-92.8	0	0	0	114.3	K750 R914 R919 T952	K750-F954 HydrophobicContact CB-CD1 4.3Å; K750-F954 HydrophobicContact CD-CD1 3.95Å; K750-F954 HydrophobicContact CD-CE1 3.65Å; K750-F954 HydrophobicContact CD-CZ 4.32Å; K750-F954 HydrophobicContact CG-CD1 3.74Å; K750-F954 HydrophobicContact CG-CE1 3.6Å; R914-F954 HydrophobicContact CB-CE1 4.09Å; R914-F954 HydrophobicContact CB-CE2 3.86Å; R914-F954 HydrophobicContact CB-CZ 3.52Å; R914-F954 HydrophobicContact CG-CE1 3.82Å; R914-F954 HydrophobicContact CG-CE2 4.38Å; R914-F954 HydrophobicContact CG-CZ 3.54Å; R919-F954 WeakPolarHBondContact CD-O 3.4Å; R919-F954 HydrophobicContact CG-CB 4.31Å; T952-F954 PolarHBondContact O-N 3Å
955	L	93.3	Very high	92.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.			trans	-76.2	129.3	174.8	-54.8	179.7	0	0	0	109.1	W923 T952 E960 V986 N989	W923-L955 HydrophobicContact CD2-CD1 4.2Å; W923-L955 HydrophobicContact CE3-CD1 4.35Å; W923-L955 HydrophobicContact CG-CD2 4.27Å; W923-L955 HydrophobicContact CZ2-CD1 4.45Å; T952-L955 HydrophobicContact CG2-CD1 4.17Å; T952-L955 WeakPolarHBondContact O-CB 3.18Å; T952-L955 WeakPolarHBondContact O-CG 3.47Å; T952-L955 PolarHBondContact O-N 3.15Å; L955-E960 HydrophobicContact CB-CB 4.03Å; L955-E960 HydrophobicContact CD2-CB 4.12Å; L955-E960 HydrophobicContact CD2-CG 3.98Å; L955-E960 HydrophobicContact CG-CB 4.44Å; L955-V986 HydrophobicContact CB-CG1 3.98Å; L955-V986 HydrophobicContact CB-CG2 3.79Å; L955-V986 HydrophobicContact CD1-CG2 4.49Å; L955-N989 PolarHBondContact O-ND2 2.75Å; L955-N989 VanDerWaalsContact O-ND2 3.12Å
956	N	93.6	Very high	93	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.048	20%	0.202	C	C	.	.			trans	-151.3	13.1	-173.3	69	22.6	0	0	0	114.7	K750 L751 R754 E960 N989 V990 H993	K750-N956 PolarHBondContact O-ND2 3.29Å; L751-N956 HydrophobicContact CD2-CB 4.44Å; L751-N956 PolarHBondContact O-ND2 2.77Å; R754-N956 PolarHBondContact NH2-OD1 2.89Å; N956-E960 PolarHBondContact N-OE2 3.42Å; N956-N989 HydrophobicContact CB-CB 3.78Å; N956-V990 WeakPolarHBondContact O-CG2 3.45Å; N956-H993 PolarHBondContact O-CD2 3.18Å
957	T	93.6	Very high	93.1	Very high	47 Å²	47	37 Å²	37	29%	0.288	18%	0.183	S	C	.	.	S	Bend	trans	-111.9	154.3	175.8	65.2	0	0	0	0	112.6	R959 E960 L961	T957-R959 PolarHBondContact O-N 2.85Å; T957-E960 PolarHBondContact N-OE2 3.28Å; T957-E960 PolarHBondContact O-N 2.82Å; T957-E960 VanDerWaalsContact O-N 3.16Å; T957-E960 WeakPolarHBondContact OG1-CB 3.47Å; T957-E960 WeakPolarHBondContact OG1-CG 3.1Å; T957-E960 PolarHBondContact OG1-N 2.96Å; T957-E960 PolarHBondContact OG1-OE2 3.12Å; T957-L961 PolarHBondContact O-N 3.41Å
958	E	95.3	Very high	93.1	Very high	113 Å²	113	39.6 Å²	39.6	53%	0.528	20%	0.197	S	C	.	.	H	α-helix	trans	-55.7	-36.9	175.4	-70.2	-71	178.3	0	0	112.7	N962 V990	E958-N962 PolarHBondContact O-N 3.41Å; E958-N962 VanDerWaalsContact O-N 3.08Å; E958-N962 PolarHBondContact O-ND2 3.07Å; E958-N962 VanDerWaalsContact O-ND2 3.16Å; E958-V990 HydrophobicContact CG-CG1 4.04Å; E958-V990 VanDerWaalsContact OE1-CG1 3.22Å; E958-V990 WeakPolarHBondContact OE1-CG1 3.33Å
959	R	95.6	Very high	92.9	Very high	148 Å²	148	47.4 Å²	47.4	56%	0.558	23%	0.233	S	C	*	.	H	α-helix	trans	-64.1	-50.3	176.6	-176.4	-173.2	64.1	145.3	4.3	111.3	T957 L961 N962 E963	T957-R959 PolarHBondContact O-N 2.85Å; R959-L961 VanDerWaalsContact C-N 3.29Å; R959-L961 PolarHBondContact O-N 3.22Å; R959-N962 PolarHBondContact O-N 3.38Å; R959-E963 IonicContact CZ-OE1 3.76Å; R959-E963 IonicContact NE-OE1 3.99Å; R959-E963 WeakPolarHBondContact O-CG 3.07Å; R959-E963 PolarHBondContact O-N 3.03Å
960	E	95.5	Very high	92.6	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-36.2	179.7	-70	161.2	161.6	0	0	111.9	R754 L955 N956 T957 E963 L964	R754-E960 IonicContact CZ-OE1 3.22Å; R754-E960 IonicContact CZ-OE2 3.57Å; R754-E960 IonicContact NH1-OE1 3.59Å; R754-E960 PolarHBondContact NH1-OE1 3.04Å; R754-E960 IonicContact NH1-OE2 3.33Å; R754-E960 IonicContact NH2-OE1 2.68Å; R754-E960 PolarHBondContact NH2-OE1 2.94Å; R754-E960 VanDerWaalsContact NH2-OE1 3.07Å; R754-E960 IonicContact NH2-OE2 2.9Å; R754-E960 PolarHBondContact NH2-OE2 3.24Å; L955-E960 HydrophobicContact CB-CB 4.03Å; L955-E960 HydrophobicContact CD2-CB 4.12Å; L955-E960 HydrophobicContact CD2-CG 3.98Å; L955-E960 HydrophobicContact CG-CB 4.44Å; N956-E960 PolarHBondContact N-OE2 3.42Å; T957-E960 PolarHBondContact N-OE2 3.28Å; T957-E960 PolarHBondContact O-N 2.82Å; T957-E960 VanDerWaalsContact O-N 3.16Å; T957-E960 WeakPolarHBondContact OG1-CB 3.47Å; T957-E960 WeakPolarHBondContact OG1-CG 3.1Å; T957-E960 PolarHBondContact OG1-N 2.96Å; T957-E960 PolarHBondContact OG1-OE2 3.12Å; E960-E963 PolarHBondContact O-N 2.67Å; E960-L964 WeakPolarHBondContact O-CB 3.16Å; E960-L964 PolarHBondContact O-N 2.85Å
961	L	96.4	Very high	91.9	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-46.6	174.2	175.2	59	0	0	0	111.8	T957 R959 L964 K965 L983 V986 E987 V990	T957-L961 PolarHBondContact O-N 3.41Å; R959-L961 VanDerWaalsContact C-N 3.29Å; R959-L961 PolarHBondContact O-N 3.22Å; L961-L964 PolarHBondContact O-N 2.9Å; L961-K965 WeakPolarHBondContact O-CG 3.08Å; L961-K965 PolarHBondContact O-N 2.95Å; L961-L983 HydrophobicContact CD1-CD1 3.63Å; L961-V986 HydrophobicContact CB-CG1 4.05Å; L961-V986 HydrophobicContact CD1-CB 4.41Å; L961-V986 HydrophobicContact CD1-CG1 3.98Å; L961-E987 HydrophobicContact CD1-CG 3.46Å; L961-E987 VanDerWaalsContact CD1-CG 3.46Å; L961-E987 HydrophobicContact CD2-CG 3.92Å; L961-E987 HydrophobicContact CG-CG 4.34Å; L961-V990 HydrophobicContact CB-CG2 4.34Å; L961-V990 HydrophobicContact CD2-CG2 4.34Å
962	N	96.4	Very high	90.4	Very high	79 Å²	79	53.7 Å²	53.7	42%	0.422	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-41.5	177.2	-69.6	-30.8	0	0	0	111.7	E958 R959 L964 K965 E966	E958-N962 PolarHBondContact O-N 3.41Å; E958-N962 VanDerWaalsContact O-N 3.08Å; E958-N962 PolarHBondContact O-ND2 3.07Å; E958-N962 VanDerWaalsContact O-ND2 3.16Å; R959-N962 PolarHBondContact O-N 3.38Å; N962-L964 VanDerWaalsContact C-N 3.29Å; N962-L964 PolarHBondContact O-N 3.34Å; N962-K965 WeakPolarHBondContact O-CB 3.5Å; N962-K965 PolarHBondContact O-N 3.01Å; N962-K965 VanDerWaalsContact O-N 3.17Å; N962-E966 WeakPolarHBondContact O-CG 3.43Å; N962-E966 PolarHBondContact O-N 2.64Å
963	E	95.4	Very high	88.4	Confident	36 Å²	36	58 Å²	58	17%	0.168	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-39.5	174	-78.4	-179.6	-153.3	0	0	112.7	W923 R927 R959 E960 F967	W923-E963 PolarHBondContact NE1-OE2 2.91Å; R927-E963 IonicContact CZ-OE2 2.8Å; R927-E963 VanDerWaalsContact CZ-OE2 3.29Å; R927-E963 IonicContact NH1-OE2 2.63Å; R927-E963 PolarHBondContact NH1-OE2 2.87Å; R927-E963 VanDerWaalsContact NH1-OE2 3.14Å; R927-E963 IonicContact NH2-OE2 2.93Å; R927-E963 PolarHBondContact NH2-OE2 2.92Å; R959-E963 IonicContact CZ-OE1 3.76Å; R959-E963 IonicContact NE-OE1 3.99Å; R959-E963 WeakPolarHBondContact O-CG 3.07Å; R959-E963 PolarHBondContact O-N 3.03Å; E960-E963 PolarHBondContact O-N 2.67Å; E963-F967 WeakPolarHBondContact O-CB 3.47Å; E963-F967 PolarHBondContact O-N 2.92Å
964	L	94.5	Very high	86.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-67.9	-41.6	175.4	178.3	59.9	0	0	0	111.5	W923 T952 E960 L961 N962 E966 F967 I968 L979 L983 V986	W923-L964 HydrophobicContact CH2-CD1 3.75Å; W923-L964 HydrophobicContact CZ2-CB 4.37Å; W923-L964 HydrophobicContact CZ2-CD1 4.43Å; T952-L964 HydrophobicContact CG2-CD1 4.12Å; E960-L964 WeakPolarHBondContact O-CB 3.16Å; E960-L964 PolarHBondContact O-N 2.85Å; L961-L964 PolarHBondContact O-N 2.9Å; N962-L964 VanDerWaalsContact C-N 3.29Å; N962-L964 PolarHBondContact O-N 3.34Å; L964-E966 PolarHBondContact O-N 2.87Å; L964-F967 HydrophobicContact CD1-CD1 4.47Å; L964-F967 PolarHBondContact O-N 2.95Å; L964-I968 HydrophobicContact CD1-CD1 4.11Å; L964-I968 HydrophobicContact CD1-CG1 4.26Å; L964-I968 HydrophobicContact CG-CD1 3.98Å; L964-I968 VanDerWaalsContact O-CG1 3.26Å; L964-I968 WeakPolarHBondContact O-CG1 3.26Å; L964-I968 PolarHBondContact O-N 2.88Å; L964-L979 HydrophobicContact CD1-CD2 4.23Å; L964-L983 HydrophobicContact CD2-CB 4.48Å; L964-L983 HydrophobicContact CD2-CD1 4.24Å; L964-L983 HydrophobicContact CG-CD1 4.44Å; L964-V986 HydrophobicContact CD2-CB 4.28Å; L964-V986 HydrophobicContact CD2-CG2 3.94Å
965	K	93.6	Very high	85	Confident	70 Å²	70	58.6 Å²	58.6	30%	0.304	33%	0.334	S	S	.	.	H	α-helix	trans	-60	-44.8	175.6	-73.6	176.1	177.9	-179.8	0	111.8	L961 N962 Q969 L983 E987	L961-K965 WeakPolarHBondContact O-CG 3.08Å; L961-K965 PolarHBondContact O-N 2.95Å; N962-K965 WeakPolarHBondContact O-CB 3.5Å; N962-K965 PolarHBondContact O-N 3.01Å; N962-K965 VanDerWaalsContact O-N 3.17Å; K965-Q969 WeakPolarHBondContact O-CG 3.21Å; K965-Q969 PolarHBondContact O-N 2.9Å; K965-L983 HydrophobicContact CD-CD1 4.45Å; K965-L983 HydrophobicContact CG-CD1 3.7Å; K965-E987 WeakPolarHBondContact CE-OE1 3.17Å; K965-E987 IonicContact NZ-OE1 3.77Å; K965-E987 PolarHBondContact NZ-OE1 3.22Å
966	E	93	Very high	83.6	Confident	124 Å²	124	60 Å²	60	58%	0.579	35%	0.347	S	S	*	.	H	α-helix	trans	-64.2	-44	175.6	-71.4	173.8	-175.7	0	0	111.5	N962 L964 I968 Q969 S970	N962-E966 WeakPolarHBondContact O-CG 3.43Å; N962-E966 PolarHBondContact O-N 2.64Å; L964-E966 PolarHBondContact O-N 2.87Å; E966-I968 PolarHBondContact O-N 2.86Å; E966-Q969 PolarHBondContact O-N 2.98Å; E966-Q969 VanDerWaalsContact O-N 3.17Å; E966-S970 WeakPolarHBondContact O-CB 3.45Å; E966-S970 PolarHBondContact O-N 2.96Å; E966-S970 PolarHBondContact O-OG 2.84Å
967	F	91.9	Very high	82.6	Confident	14 Å²	14	61.3 Å²	61.3	6%	0.061	36%	0.356	C	S	.	.	H	α-helix	trans	-57.7	-48.8	177.1	175.5	-105.7	0	0	0	111.7	W923 F926 R927 W930 E963 L964 Q969 S970 S971 L979	W923-F967 HydrophobicContact CH2-CB 4.33Å; W923-F967 HydrophobicContact CH2-CD1 4.16Å; W923-F967 HydrophobicContact CH2-CG 4.26Å; F926-F967 HydrophobicContact CD1-CZ 4.44Å; F926-F967 HydrophobicContact CE1-CD1 4.43Å; F926-F967 AromaticContact CE1-CE1 3.61Å; F926-F967 HydrophobicContact CE1-CE1 3.61Å; F926-F967 AromaticContact CE1-CZ 3.65Å; F926-F967 HydrophobicContact CE1-CZ 3.65Å; F926-F967 HydrophobicContact CZ-CE1 4.19Å; F926-F967 HydrophobicContact CZ-CZ 4.19Å; R927-F967 HydrophobicContact CB-CD2 4.31Å; R927-F967 HydrophobicContact CB-CE2 4.35Å; R927-F967 HydrophobicContact CG-CD2 3.69Å; R927-F967 HydrophobicContact CG-CE2 3.99Å; R927-F967 HydrophobicContact CG-CG 4.19Å; W930-F967 HydrophobicContact CB-CE2 4.15Å; W930-F967 HydrophobicContact CB-CZ 4.23Å; W930-F967 HydrophobicContact CD2-CE2 4.4Å; W930-F967 AromaticContact CD2-CZ 3.66Å; W930-F967 HydrophobicContact CD2-CZ 3.66Å; W930-F967 AromaticContact CE3-CZ 3.92Å; W930-F967 HydrophobicContact CE3-CZ 3.92Å; W930-F967 HydrophobicContact CG-CE2 4.05Å; W930-F967 AromaticContact CG-CZ 3.79Å; W930-F967 HydrophobicContact CG-CZ 3.79Å; E963-F967 WeakPolarHBondContact O-CB 3.47Å; E963-F967 PolarHBondContact O-N 2.92Å; L964-F967 HydrophobicContact CD1-CD1 4.47Å; L964-F967 PolarHBondContact O-N 2.95Å; F967-Q969 PolarHBondContact O-N 3.21Å; F967-S970 PolarHBondContact O-N 3.05Å; F967-S970 PolarHBondContact O-OG 2.82Å; F967-S971 WeakPolarHBondContact O-CB 3.12Å; F967-S971 PolarHBondContact O-N 2.92Å; F967-S971 PolarHBondContact O-OG 3.29Å; F967-L979 HydrophobicContact CE1-CD1 4.38Å; F967-L979 HydrophobicContact CE1-CD2 4.36Å
968	I	89.8	Confident	82.1	Confident	56 Å²	56	59.5 Å²	59.5	29%	0.287	35%	0.346	S	S	.	.	H	α-helix	trans	-57	-37.7	177.7	-69	164.2	0	0	0	111.6	L964 E966 S971 L979 L983	L964-I968 HydrophobicContact CD1-CD1 4.11Å; L964-I968 HydrophobicContact CD1-CG1 4.26Å; L964-I968 HydrophobicContact CG-CD1 3.98Å; L964-I968 VanDerWaalsContact O-CG1 3.26Å; L964-I968 WeakPolarHBondContact O-CG1 3.26Å; L964-I968 PolarHBondContact O-N 2.88Å; E966-I968 PolarHBondContact O-N 2.86Å; I968-S971 PolarHBondContact O-OG 3.29Å; I968-L979 HydrophobicContact CD1-CB 4.41Å; I968-L979 HydrophobicContact CD1-CD2 4.47Å; I968-L979 HydrophobicContact CG1-CB 4.21Å; I968-L979 HydrophobicContact CG1-CD1 3.81Å; I968-L979 HydrophobicContact CG1-CD2 3.98Å; I968-L979 HydrophobicContact CG1-CG 4.22Å; I968-L983 HydrophobicContact CD1-CB 4.13Å; I968-L983 HydrophobicContact CD1-CD1 4.45Å; I968-L983 HydrophobicContact CD1-CD2 4.27Å
969	Q	87.1	Confident	81.7	Confident	163 Å²	163	54.3 Å²	54.3	76%	0.762	32%	0.322	S	S	*	.	H	α-helix	trans	-72.2	-36	177.4	-69.3	173.5	2.8	0	0	112.5	K965 E966 F967	K965-Q969 WeakPolarHBondContact O-CG 3.21Å; K965-Q969 PolarHBondContact O-N 2.9Å; E966-Q969 PolarHBondContact O-N 2.98Å; E966-Q969 VanDerWaalsContact O-N 3.17Å; F967-Q969 PolarHBondContact O-N 3.21Å
970	S	83.7	Confident	81.3	Confident	89 Å²	89	50.7 Å²	50.7	62%	0.622	32%	0.318	S	S	*	.	H	α-helix	trans	-86.8	-24.6	-173.2	68.7	0	0	0	0	115.1	E966 F967 G972	E966-S970 WeakPolarHBondContact O-CB 3.45Å; E966-S970 PolarHBondContact O-N 2.96Å; E966-S970 PolarHBondContact O-OG 2.84Å; F967-S970 PolarHBondContact O-N 3.05Å; F967-S970 PolarHBondContact O-OG 2.82Å; S970-G972 PolarHBondContact O-N 2.89Å; S970-G972 VanDerWaalsContact O-N 3.13Å
971	S	76.3	Confident	81	Confident	18 Å²	18	51.7 Å²	51.7	13%	0.126	32%	0.322	C	S	.	.	S	Bend	trans	-71.1	-8	-171.4	58.4	0	0	0	0	114.3	F967 I968 V973	F967-S971 WeakPolarHBondContact O-CB 3.12Å; F967-S971 PolarHBondContact O-N 2.92Å; F967-S971 PolarHBondContact O-OG 3.29Å; I968-S971 PolarHBondContact O-OG 3.29Å; S971-V973 PolarHBondContact O-N 3.43Å
972	G	61.7	Low	80.8	Confident	72 Å²	72	51.4 Å²	51.4	74%	0.742	32%	0.32	S	S	*	.			trans	64.9	-5.8	158.5	0	0	0	0	0	117.8	S970	S970-G972 PolarHBondContact O-N 2.89Å; S970-G972 VanDerWaalsContact O-N 3.13Å
973	V	51.9	Low	80.6	Confident	93 Å²	93	49.4 Å²	49.4	56%	0.564	31%	0.31	S	S	*	.	S	Bend	trans	-140.7	141.3	-177.4	-177.6	0	0	0	0	109.1	S971 A975	S971-V973 PolarHBondContact O-N 3.43Å; V973-A975 PolarHBondContact O-N 3.06Å
974	G	53.4	Low	80.5	Confident	70 Å²	70	49.6 Å²	49.6	72%	0.722	31%	0.311	S	S	*	.			trans	-54.5	92.3	-173	0	0	0	0	0	113.9	G976	G974-G976 PolarHBondContact O-N 3.25Å
975	A	52.5	Low	80.4	Confident	21 Å²	21	51.4 Å²	51.4	17%	0.174	32%	0.32	C	S	.	.			trans	-66.4	118.7	151.9	0	0	0	0	0	106.3	I948 V973 L979	I948-A975 HydrophobicContact CD1-CB 4.33Å; V973-A975 PolarHBondContact O-N 3.06Å; A975-L979 HydrophobicContact CB-CB 3.77Å; A975-L979 HydrophobicContact CB-CD1 3.1Å; A975-L979 HydrophobicContact CB-CG 3.35Å
976	G	64.5	Low	80.5	Confident	28 Å²	28	48.1 Å²	48.1	29%	0.289	31%	0.305	S	S	.	.			trans	-58.8	-156	175.3	0	0	0	0	0	112.6	G974 A978 L979 P980	G974-G976 PolarHBondContact O-N 3.25Å; G976-A978 PolarHBondContact O-N 3.47Å; G976-L979 PolarHBondContact O-N 2.8Å; G976-P980 WeakPolarHBondContact O-CD 3.46Å
977	P	73.1	Confident	80.5	Confident	37 Å²	37	44.9 Å²	44.9	24%	0.24	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-14.4	-172.8	26.8	-37.7	0	0	0	115.1	R507 R981	R507-P977 HydrophobicContact CG-CG 4.24Å; P977-R981 VanDerWaalsContact O-CB 3.31Å; P977-R981 WeakPolarHBondContact O-CB 3.39Å; P977-R981 PolarHBondContact O-N 2.88Å
978	A	83.6	Confident	80.5	Confident	9 Å²	9	45.2 Å²	45.2	7%	0.074	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-42.8	-179.1	0	0	0	0	0	115	I948 G976 A982	I948-A978 HydrophobicContact CB-CB 4.22Å; I948-A978 HydrophobicContact CD1-CB 3.91Å; I948-A978 HydrophobicContact CG2-CB 4.15Å; G976-A978 PolarHBondContact O-N 3.47Å; A978-A982 WeakPolarHBondContact O-CB 3.41Å; A978-A982 PolarHBondContact O-N 3.26Å
979	L	86.9	Confident	80.7	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-70	-46.5	-179	-87.3	-176.1	0	0	0	113.1	I948 L964 F967 I968 A975 G976 R981 A982 L983	I948-L979 HydrophobicContact CD1-CG 4.31Å; I948-L979 HydrophobicContact CG2-CD2 3.69Å; I948-L979 HydrophobicContact CG2-CG 4.21Å; L964-L979 HydrophobicContact CD1-CD2 4.23Å; F967-L979 HydrophobicContact CE1-CD1 4.38Å; F967-L979 HydrophobicContact CE1-CD2 4.36Å; I968-L979 HydrophobicContact CD1-CB 4.41Å; I968-L979 HydrophobicContact CD1-CD2 4.47Å; I968-L979 HydrophobicContact CG1-CB 4.21Å; I968-L979 HydrophobicContact CG1-CD1 3.81Å; I968-L979 HydrophobicContact CG1-CD2 3.98Å; I968-L979 HydrophobicContact CG1-CG 4.22Å; A975-L979 HydrophobicContact CB-CB 3.77Å; A975-L979 HydrophobicContact CB-CD1 3.1Å; A975-L979 HydrophobicContact CB-CG 3.35Å; G976-L979 PolarHBondContact O-N 2.8Å; L979-R981 VanDerWaalsContact C-N 3.28Å; L979-R981 PolarHBondContact O-N 2.85Å; L979-A982 PolarHBondContact O-N 2.73Å; L979-L983 PolarHBondContact O-N 2.83Å
980	P	86.9	Confident	81	Confident	72 Å²	72	35.6 Å²	35.6	47%	0.468	25%	0.252	S	S	.	.	H	α-helix	trans	-56.9	-41.4	172.7	-27.2	35.6	0	0	0	112.9	G976 L983 E984	G976-P980 WeakPolarHBondContact O-CD 3.46Å; P980-L983 WeakPolarHBondContact O-CB 3.08Å; P980-L983 PolarHBondContact O-N 2.98Å; P980-E984 PolarHBondContact O-N 3.08Å
981	R	88.9	Confident	81.4	Confident	21 Å²	21	34.7 Å²	34.7	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-47	175.5	-177	-176.2	-64.6	171	-1.6	112	L489 D510 P977 L979 L983 E984 I985	L489-R981 HydrophobicContact CD1-CG 3.98Å; D510-R981 IonicContact OD2-CZ 2.71Å; D510-R981 IonicContact OD2-NH1 3.32Å; D510-R981 PolarHBondContact OD2-NH1 2.71Å; D510-R981 IonicContact OD2-NH2 3.27Å; D510-R981 PolarHBondContact OD2-NH2 3.26Å; P977-R981 VanDerWaalsContact O-CB 3.31Å; P977-R981 WeakPolarHBondContact O-CB 3.39Å; P977-R981 PolarHBondContact O-N 2.88Å; L979-R981 VanDerWaalsContact C-N 3.28Å; L979-R981 PolarHBondContact O-N 2.85Å; R981-L983 VanDerWaalsContact C-N 3.29Å; R981-L983 PolarHBondContact O-N 3.43Å; R981-E984 PolarHBondContact O-N 2.99Å; R981-I985 HydrophobicContact CG-CD1 4.14Å; R981-I985 WeakPolarHBondContact O-CG1 3.11Å; R981-I985 PolarHBondContact O-N 3.08Å
982	A	92.3	Very high	82.2	Confident	3 Å²	3	34.3 Å²	34.3	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-44.1	175.5	0	0	0	0	0	111.4	I948 T952 A978 L979 E984 I985 V986	I948-A982 HydrophobicContact CG2-CB 4.1Å; T952-A982 HydrophobicContact CG2-CB 4.27Å; T952-A982 VanDerWaalsContact OG1-CB 3.28Å; T952-A982 WeakPolarHBondContact OG1-CB 3.39Å; A978-A982 WeakPolarHBondContact O-CB 3.41Å; A978-A982 PolarHBondContact O-N 3.26Å; L979-A982 PolarHBondContact O-N 2.73Å; A982-E984 PolarHBondContact O-N 3.42Å; A982-I985 PolarHBondContact O-N 2.94Å; A982-V986 VanDerWaalsContact O-CG2 3.31Å; A982-V986 WeakPolarHBondContact O-CG2 3.35Å; A982-V986 PolarHBondContact O-N 2.82Å
983	L	92.8	Very high	83.6	Confident	37 Å²	37	32.1 Å²	32.1	19%	0.194	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-49.1	176.9	-178.5	63.2	0	0	0	111.6	L961 L964 K965 I968 L979 P980 R981 I985 V986 E987	L961-L983 HydrophobicContact CD1-CD1 3.63Å; L964-L983 HydrophobicContact CD2-CB 4.48Å; L964-L983 HydrophobicContact CD2-CD1 4.24Å; L964-L983 HydrophobicContact CG-CD1 4.44Å; K965-L983 HydrophobicContact CD-CD1 4.45Å; K965-L983 HydrophobicContact CG-CD1 3.7Å; I968-L983 HydrophobicContact CD1-CB 4.13Å; I968-L983 HydrophobicContact CD1-CD1 4.45Å; I968-L983 HydrophobicContact CD1-CD2 4.27Å; L979-L983 PolarHBondContact O-N 2.83Å; P980-L983 WeakPolarHBondContact O-CB 3.08Å; P980-L983 PolarHBondContact O-N 2.98Å; R981-L983 VanDerWaalsContact C-N 3.29Å; R981-L983 PolarHBondContact O-N 3.43Å; L983-I985 VanDerWaalsContact C-N 3.33Å; L983-I985 PolarHBondContact O-N 2.8Å; L983-V986 PolarHBondContact O-N 3.31Å; L983-E987 HydrophobicContact CD1-CG 4.44Å; L983-E987 WeakPolarHBondContact O-CB 3.41Å; L983-E987 WeakPolarHBondContact O-CG 3.26Å; L983-E987 PolarHBondContact O-N 2.86Å
984	E	92.1	Very high	85.5	Confident	41 Å²	41	36 Å²	36	19%	0.192	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-40.3	179.1	-172.7	179.2	175.6	0	0	112.4	L489 G490 S491 P980 R981 A982 E987 G988	L489-E984 HydrophobicContact CD2-CG 4.32Å; G490-E984 PolarHBondContact N-OE1 2.8Å; G490-E984 PolarHBondContact N-OE2 3.01Å; S491-E984 WeakPolarHBondContact CB-OE2 3.48Å; S491-E984 PolarHBondContact N-OE2 3.36Å; S491-E984 PolarHBondContact OG-OE2 3.48Å; P980-E984 PolarHBondContact O-N 3.08Å; R981-E984 PolarHBondContact O-N 2.99Å; A982-E984 PolarHBondContact O-N 3.42Å; E984-E987 PolarHBondContact O-N 2.68Å; E984-G988 PolarHBondContact O-N 3.39Å
985	I	92.8	Very high	87.3	Confident	38 Å²	38	36.4 Å²	36.4	20%	0.195	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-48.3	176.7	-70	168.2	0	0	0	110.7	L489 R981 A982 L983 E987 G988 N989	L489-I985 HydrophobicContact CD1-CD1 4.25Å; L489-I985 HydrophobicContact CD1-CG1 3.97Å; R981-I985 HydrophobicContact CG-CD1 4.14Å; R981-I985 WeakPolarHBondContact O-CG1 3.11Å; R981-I985 PolarHBondContact O-N 3.08Å; A982-I985 PolarHBondContact O-N 2.94Å; L983-I985 VanDerWaalsContact C-N 3.33Å; L983-I985 PolarHBondContact O-N 2.8Å; I985-E987 VanDerWaalsContact C-N 3.35Å; I985-E987 PolarHBondContact O-N 2.82Å; I985-G988 WeakPolarHBondContact O-CA 3.49Å; I985-G988 PolarHBondContact O-N 2.98Å; I985-G988 VanDerWaalsContact O-N 3.15Å; I985-N989 VanDerWaalsContact O-CG 3.25Å; I985-N989 PolarHBondContact O-N 3.02Å; I985-N989 PolarHBondContact O-OD1 3.36Å
986	V	95.1	Very high	89.1	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-40.8	179.5	177.7	0	0	0	0	110.9	L955 L961 L964 A982 L983 G988 N989 V990	L955-V986 HydrophobicContact CB-CG1 3.98Å; L955-V986 HydrophobicContact CB-CG2 3.79Å; L955-V986 HydrophobicContact CD1-CG2 4.49Å; L961-V986 HydrophobicContact CB-CG1 4.05Å; L961-V986 HydrophobicContact CD1-CB 4.41Å; L961-V986 HydrophobicContact CD1-CG1 3.98Å; L964-V986 HydrophobicContact CD2-CB 4.28Å; L964-V986 HydrophobicContact CD2-CG2 3.94Å; A982-V986 VanDerWaalsContact O-CG2 3.31Å; A982-V986 WeakPolarHBondContact O-CG2 3.35Å; A982-V986 PolarHBondContact O-N 2.82Å; L983-V986 PolarHBondContact O-N 3.31Å; V986-G988 VanDerWaalsContact C-N 3.33Å; V986-G988 PolarHBondContact O-N 3.13Å; V986-N989 PolarHBondContact O-N 2.77Å; V986-V990 WeakPolarHBondContact O-CG2 3.37Å; V986-V990 PolarHBondContact O-N 2.63Å
987	E	93.6	Very high	90.4	Very high	57 Å²	57	41.2 Å²	41.2	27%	0.266	20%	0.198	S	C	.	.	H	α-helix	trans	-60.8	-41.5	172.6	-72.7	-174.5	158.7	0	0	111.9	L961 K965 L983 E984 I985 R991	L961-E987 HydrophobicContact CD1-CG 3.46Å; L961-E987 VanDerWaalsContact CD1-CG 3.46Å; L961-E987 HydrophobicContact CD2-CG 3.92Å; L961-E987 HydrophobicContact CG-CG 4.34Å; K965-E987 WeakPolarHBondContact CE-OE1 3.17Å; K965-E987 IonicContact NZ-OE1 3.77Å; K965-E987 PolarHBondContact NZ-OE1 3.22Å; L983-E987 HydrophobicContact CD1-CG 4.44Å; L983-E987 WeakPolarHBondContact O-CB 3.41Å; L983-E987 WeakPolarHBondContact O-CG 3.26Å; L983-E987 PolarHBondContact O-N 2.86Å; E984-E987 PolarHBondContact O-N 2.68Å; I985-E987 VanDerWaalsContact C-N 3.35Å; I985-E987 PolarHBondContact O-N 2.82Å; E987-R991 WeakPolarHBondContact O-CB 3.38Å; E987-R991 PolarHBondContact O-N 2.86Å
988	G	91.9	Very high	91.2	Very high	20 Å²	20	48.4 Å²	48.4	21%	0.206	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-43.6	173.3	0	0	0	0	0	112.9	E984 I985 V986 R991 W992	E984-G988 PolarHBondContact O-N 3.39Å; I985-G988 WeakPolarHBondContact O-CA 3.49Å; I985-G988 PolarHBondContact O-N 2.98Å; I985-G988 VanDerWaalsContact O-N 3.15Å; V986-G988 VanDerWaalsContact C-N 3.33Å; V986-G988 PolarHBondContact O-N 3.13Å; G988-R991 PolarHBondContact O-N 3.16Å; G988-W992 PolarHBondContact O-N 3.36Å
989	N	93.6	Very high	91.4	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.027	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-48.7	178.5	-67.2	-14.7	0	0	0	111.6	L751 E953 L955 N956 I985 V986 R991 W992 H993	L751-N989 HydrophobicContact CD2-CB 3.66Å; E953-N989 PolarHBondContact O-ND2 3.33Å; L955-N989 PolarHBondContact O-ND2 2.75Å; L955-N989 VanDerWaalsContact O-ND2 3.12Å; N956-N989 HydrophobicContact CB-CB 3.78Å; I985-N989 VanDerWaalsContact O-CG 3.25Å; I985-N989 PolarHBondContact O-N 3.02Å; I985-N989 PolarHBondContact O-OD1 3.36Å; V986-N989 PolarHBondContact O-N 2.77Å; N989-R991 VanDerWaalsContact C-N 3.32Å; N989-R991 PolarHBondContact O-N 3.04Å; N989-W992 PolarHBondContact O-N 3.03Å; N989-H993 PolarHBondContact O-CD2 3.09Å; N989-H993 PolarHBondContact O-N 2.82Å
990	V	94.4	Very high	91.6	Very high	12 Å²	12	53.7 Å²	53.7	7%	0.073	24%	0.243	C	C	.	.	H	α-helix	trans	-60.1	-43.3	176.7	172.3	0	0	0	0	111	N956 E958 L961 V986 W992 H993 R994	N956-V990 WeakPolarHBondContact O-CG2 3.45Å; E958-V990 HydrophobicContact CG-CG1 4.04Å; E958-V990 VanDerWaalsContact OE1-CG1 3.22Å; E958-V990 WeakPolarHBondContact OE1-CG1 3.33Å; L961-V990 HydrophobicContact CB-CG2 4.34Å; L961-V990 HydrophobicContact CD2-CG2 4.34Å; V986-V990 WeakPolarHBondContact O-CG2 3.37Å; V986-V990 PolarHBondContact O-N 2.63Å; V990-W992 PolarHBondContact O-N 3.24Å; V990-H993 WeakPolarHBondContact O-CB 3.33Å; V990-H993 PolarHBondContact O-N 2.92Å; V990-R994 PolarHBondContact O-N 3.25Å
991	R	91.7	Very high	91.9	Very high	70 Å²	70	50.6 Å²	50.6	26%	0.264	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-42.5	177.6	-168.3	-167.9	-33.5	-118.3	0.2	112.1	E987 G988 N989 H993 R994 L995	E987-R991 WeakPolarHBondContact O-CB 3.38Å; E987-R991 PolarHBondContact O-N 2.86Å; G988-R991 PolarHBondContact O-N 3.16Å; N989-R991 VanDerWaalsContact C-N 3.32Å; N989-R991 PolarHBondContact O-N 3.04Å; R991-H993 VanDerWaalsContact C-N 3.29Å; R991-H993 PolarHBondContact O-N 2.78Å; R991-R994 WeakPolarHBondContact O-CB 3.41Å; R991-R994 PolarHBondContact O-N 2.88Å; R991-R994 VanDerWaalsContact O-N 3.12Å; R991-L995 HydrophobicContact CG-CD1 3.83Å; R991-L995 HydrophobicContact CG-CG 4.39Å; R991-L995 WeakPolarHBondContact O-CG 3.32Å; R991-L995 PolarHBondContact O-N 2.67Å
992	W	92.1	Very high	91.9	Very high	10 Å²	10	53.6 Å²	53.6	4%	0.038	24%	0.237	C	C	.	.	H	α-helix	trans	-59.6	-41.5	177.2	-172.9	96.7	0	0	0	111.4	L748 L751 L752 G988 N989 V990 R994 L995 H996 R997 F1000	L748-W992 HydrophobicContact CD2-CH2 4.2Å; L748-W992 HydrophobicContact CD2-CZ2 3.74Å; L751-W992 HydrophobicContact CB-CE3 4.32Å; L751-W992 HydrophobicContact CB-CZ3 4.33Å; L751-W992 HydrophobicContact CD1-CD2 3.8Å; L751-W992 HydrophobicContact CD1-CE3 3.9Å; L751-W992 HydrophobicContact CD1-CG 4.1Å; L751-W992 HydrophobicContact CD1-CZ3 4.4Å; L752-W992 HydrophobicContact CD1-CH2 4.5Å; L752-W992 HydrophobicContact CD2-CH2 3.86Å; L752-W992 HydrophobicContact CD2-CZ3 3.67Å; L752-W992 HydrophobicContact CG-CH2 4.38Å; L752-W992 HydrophobicContact CG-CZ3 4.42Å; G988-W992 PolarHBondContact O-N 3.36Å; N989-W992 PolarHBondContact O-N 3.03Å; V990-W992 PolarHBondContact O-N 3.24Å; W992-R994 VanDerWaalsContact C-N 3.31Å; W992-R994 PolarHBondContact O-N 2.87Å; W992-L995 PolarHBondContact O-N 3.2Å; W992-H996 AromaticContact CD1-CD2 3.62Å; W992-H996 HydrophobicContact CD2-CB 4.19Å; W992-H996 HydrophobicContact CG-CB 4.39Å; W992-H996 HydrophobicContact CZ2-CB 4.26Å; W992-H996 AromaticContact NE1-CD2 3.95Å; W992-H996 PolarHBondContact O-N 3.23Å; W992-R997 HydrophobicContact CZ3-CB 4.21Å; W992-R997 PolarHBondContact O-N 2.81Å; W992-F1000 HydrophobicContact CH2-CB 4.32Å; W992-F1000 HydrophobicContact CH2-CD1 4.48Å; W992-F1000 HydrophobicContact CH2-CD2 4.43Å; W992-F1000 HydrophobicContact CH2-CG 4.18Å; W992-F1000 HydrophobicContact CZ2-CD2 4.25Å; W992-F1000 HydrophobicContact CZ2-CG 4.38Å
993	H	92.8	Very high	91.8	Very high	27 Å²	27	55.5 Å²	55.5	13%	0.125	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-40.9	174.4	-81.5	-60	0	0	0	113.3	L751 N956 N989 V990 R991 R997	L751-H993 PolarHBondContact O-CE1 2.58Å; L751-H993 PolarHBondContact O-NE2 2.73Å; N956-H993 PolarHBondContact O-CD2 3.18Å; N989-H993 PolarHBondContact O-CD2 3.09Å; N989-H993 PolarHBondContact O-N 2.82Å; V990-H993 WeakPolarHBondContact O-CB 3.33Å; V990-H993 PolarHBondContact O-N 2.92Å; R991-H993 VanDerWaalsContact C-N 3.29Å; R991-H993 PolarHBondContact O-N 2.78Å; H993-R997 VanDerWaalsContact O-CB 3.23Å; H993-R997 WeakPolarHBondContact O-CB 3.46Å
994	R	91.2	Very high	91.7	Very high	173 Å²	173	55 Å²	55	65%	0.653	24%	0.24	S	C	*	.	H	α-helix	trans	-66.8	-43.3	179	-169.6	-179.1	74.5	175.3	3.5	112.1	V990 R991 W992	V990-R994 PolarHBondContact O-N 3.25Å; R991-R994 WeakPolarHBondContact O-CB 3.41Å; R991-R994 PolarHBondContact O-N 2.88Å; R991-R994 VanDerWaalsContact O-N 3.12Å; W992-R994 VanDerWaalsContact C-N 3.31Å; W992-R994 PolarHBondContact O-N 2.87Å
995	L	89.9	Confident	91.6	Very high	79 Å²	79	59.3 Å²	59.3	41%	0.414	26%	0.255	S	S	.	.	H	α-helix	trans	-93.1	-36.4	-169.1	-62.4	-179.9	0	0	0	114.2	R991 W992	R991-L995 HydrophobicContact CG-CD1 3.83Å; R991-L995 HydrophobicContact CG-CG 4.39Å; R991-L995 WeakPolarHBondContact O-CG 3.32Å; R991-L995 PolarHBondContact O-N 2.67Å; W992-L995 PolarHBondContact O-N 3.2Å
996	H	90.9	Very high	91.1	Very high	34 Å²	34	63.4 Å²	63.4	16%	0.157	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-26	-163.4	-59.7	-48.1	0	0	0	114.6	Q719 W992 R998 H999 F1000	Q719-H996 HydrophobicContact CG-CB 4.06Å; Q719-H996 PolarHBondContact NE2-ND1 3.46Å; W992-H996 AromaticContact CD1-CD2 3.62Å; W992-H996 HydrophobicContact CD2-CB 4.19Å; W992-H996 HydrophobicContact CG-CB 4.39Å; W992-H996 HydrophobicContact CZ2-CB 4.26Å; W992-H996 AromaticContact NE1-CD2 3.95Å; W992-H996 PolarHBondContact O-N 3.23Å; H996-R998 VanDerWaalsContact C-N 3.32Å; H996-R998 PolarHBondContact O-N 2.98Å; H996-H999 PolarHBondContact O-N 3.41Å; H996-H999 VanDerWaalsContact O-N 3.13Å; H996-F1000 WeakPolarHBondContact O-CB 3.38Å; H996-F1000 PolarHBondContact O-N 2.8Å
997	R	91.6	Very high	89.4	Confident	116 Å²	116	67.1 Å²	67.1	44%	0.438	30%	0.296	S	S	.	.	H	α-helix	trans	-50	-47.7	-175.7	-177.1	-179	64.6	169	3.8	113.5	W992 H993 F1000 Y1001	W992-R997 HydrophobicContact CZ3-CB 4.21Å; W992-R997 PolarHBondContact O-N 2.81Å; H993-R997 VanDerWaalsContact O-CB 3.23Å; H993-R997 WeakPolarHBondContact O-CB 3.46Å; R997-F1000 PolarHBondContact O-N 2.78Å; R997-Y1001 HydrophobicContact CG-CD2 3.93Å; R997-Y1001 HydrophobicContact CG-CE2 3.91Å; R997-Y1001 WeakPolarHBondContact O-CD2 3.36Å; R997-Y1001 PolarHBondContact O-N 3.04Å; R997-Y1001 VanDerWaalsContact O-N 3.12Å
998	R	90.8	Very high	87.6	Confident	188 Å²	188	69 Å²	69	71%	0.709	31%	0.312	S	S	*	.	H	α-helix	trans	-64.2	-47.2	-177.9	-178.8	179.3	172	170.9	-0.5	111.7	H996 F1000 Y1001 Q1002	H996-R998 VanDerWaalsContact C-N 3.32Å; H996-R998 PolarHBondContact O-N 2.98Å; R998-F1000 VanDerWaalsContact C-N 3.33Å; R998-Y1001 PolarHBondContact O-N 3.44Å; R998-Q1002 WeakPolarHBondContact O-CB 3.45Å; R998-Q1002 VanDerWaalsContact O-CG 3.27Å; R998-Q1002 WeakPolarHBondContact O-CG 3.5Å; R998-Q1002 PolarHBondContact O-N 3Å
999	H	87.7	Confident	85.3	Confident	121 Å²	121	73 Å²	73	56%	0.56	34%	0.338	S	S	*	.	H	α-helix	trans	-66.9	-37.5	-179	-70.6	-165.9	0	0	0	111.2	H996 Q1002 W1003	H996-H999 PolarHBondContact O-N 3.41Å; H996-H999 VanDerWaalsContact O-N 3.13Å; H999-Q1002 PolarHBondContact O-N 2.92Å; H999-W1003 PolarHBondContact O-N 3.16Å
1000	F	91.4	Very high	82.7	Confident	3 Å²	3	75.7 Å²	75.7	1%	0.013	36%	0.357	C	S	.	.	H	α-helix	trans	-57.8	-52.9	174.7	-176.9	-91.6	0	0	0	111.7	L723 L748 L752 F761 W992 H996 R997 R998 Q1002 W1003 L1004	L723-F1000 HydrophobicContact CD1-CD2 3.97Å; L723-F1000 HydrophobicContact CD1-CE2 3.68Å; L723-F1000 HydrophobicContact CD1-CZ 4.33Å; L723-F1000 HydrophobicContact CD2-CE2 4.01Å; L723-F1000 HydrophobicContact CD2-CZ 4.46Å; L723-F1000 HydrophobicContact CG-CE2 4.3Å; L748-F1000 HydrophobicContact CD1-CE2 3.92Å; L748-F1000 HydrophobicContact CD1-CZ 4.06Å; L748-F1000 HydrophobicContact CD2-CE2 4.23Å; L752-F1000 HydrophobicContact CD1-CD1 3.99Å; L752-F1000 HydrophobicContact CD1-CE1 3.36Å; L752-F1000 HydrophobicContact CD1-CZ 3.91Å; F761-F1000 HydrophobicContact CD2-CE1 4.06Å; F761-F1000 AromaticContact CD2-CZ 3.81Å; F761-F1000 HydrophobicContact CD2-CZ 3.81Å; F761-F1000 HydrophobicContact CE2-CZ 4.14Å; W992-F1000 HydrophobicContact CH2-CB 4.32Å; W992-F1000 HydrophobicContact CH2-CD1 4.48Å; W992-F1000 HydrophobicContact CH2-CD2 4.43Å; W992-F1000 HydrophobicContact CH2-CG 4.18Å; W992-F1000 HydrophobicContact CZ2-CD2 4.25Å; W992-F1000 HydrophobicContact CZ2-CG 4.38Å; H996-F1000 WeakPolarHBondContact O-CB 3.38Å; H996-F1000 PolarHBondContact O-N 2.8Å; R997-F1000 PolarHBondContact O-N 2.78Å; R998-F1000 VanDerWaalsContact C-N 3.33Å; F1000-Q1002 VanDerWaalsContact C-N 3.33Å; F1000-Q1002 PolarHBondContact O-N 2.83Å; F1000-W1003 WeakPolarHBondContact O-CB 3.26Å; F1000-W1003 PolarHBondContact O-N 2.85Å; F1000-W1003 VanDerWaalsContact O-N 3.13Å; F1000-L1004 HydrophobicContact CD1-CD1 3.89Å; F1000-L1004 HydrophobicContact CE1-CD1 3.4Å; F1000-L1004 HydrophobicContact CE1-CG 4.21Å; F1000-L1004 HydrophobicContact CZ-CD1 4.12Å; F1000-L1004 PolarHBondContact O-N 3.41Å; F1000-L1004 VanDerWaalsContact O-N 3.11Å
1001	Y	92.1	Very high	80.3	Confident	7 Å²	7	77.6 Å²	77.6	3%	0.027	37%	0.369	C	S	.	.	H	α-helix	trans	-69.3	-27.6	177.6	-77.6	-61.3	0	0	0	114.1	L752 T755 D757 L760 R997 R998 W1003 L1004 R1005	L752-Y1001 HydrophobicContact CD2-CE2 3.88Å; T755-Y1001 PolarHBondContact OG1-OH 3.22Å; D757-Y1001 HydrophobicContact CB-CD1 3.67Å; D757-Y1001 HydrophobicContact CB-CD2 4.12Å; D757-Y1001 HydrophobicContact CB-CE1 3.53Å; D757-Y1001 HydrophobicContact CB-CE2 3.98Å; D757-Y1001 HydrophobicContact CB-CG 3.98Å; D757-Y1001 WeakPolarHBondContact O-CE1 3.44Å; L760-Y1001 HydrophobicContact CB-CD1 4.39Å; L760-Y1001 HydrophobicContact CB-CE1 4.41Å; L760-Y1001 HydrophobicContact CD1-CD1 4.25Å; R997-Y1001 HydrophobicContact CG-CD2 3.93Å; R997-Y1001 HydrophobicContact CG-CE2 3.91Å; R997-Y1001 WeakPolarHBondContact O-CD2 3.36Å; R997-Y1001 PolarHBondContact O-N 3.04Å; R997-Y1001 VanDerWaalsContact O-N 3.12Å; R998-Y1001 PolarHBondContact O-N 3.44Å; Y1001-W1003 VanDerWaalsContact C-N 3.3Å; Y1001-L1004 HydrophobicContact CD1-CD1 3.91Å; Y1001-L1004 HydrophobicContact CE1-CD1 4.11Å; Y1001-R1005 WeakPolarHBondContact O-CG 3.45Å; Y1001-R1005 PolarHBondContact O-N 3.12Å; Y1001-R1005 PolarHBondContact O-NH1 3.32Å
1002	Q	90.3	Very high	77.7	Confident	85 Å²	85	81.6 Å²	81.6	40%	0.397	39%	0.385	S	S	.	.	H	α-helix	trans	-64.8	-37.2	170.9	-77.8	173	-17.5	0	0	111.5	R998 H999 F1000	R998-Q1002 WeakPolarHBondContact O-CB 3.45Å; R998-Q1002 VanDerWaalsContact O-CG 3.27Å; R998-Q1002 WeakPolarHBondContact O-CG 3.5Å; R998-Q1002 PolarHBondContact O-N 3Å; H999-Q1002 PolarHBondContact O-N 2.92Å; F1000-Q1002 VanDerWaalsContact C-N 3.33Å; F1000-Q1002 PolarHBondContact O-N 2.83Å
1003	W	89.5	Confident	74.7	Confident	42 Å²	42	87.2 Å²	87.2	16%	0.159	45%	0.446	C	S	.	.	H	α-helix	trans	-66.3	-46.3	175.1	-172.8	98.9	0	0	0	111.5	G720 L723 Q724 Y764 H999 F1000 Y1001 R1005 K1006	G720-W1003 VanDerWaalsContact CA-CD1 3.5Å; L723-W1003 HydrophobicContact CB-CD2 4.18Å; L723-W1003 HydrophobicContact CB-CE3 3.9Å; L723-W1003 HydrophobicContact CB-CH2 3.39Å; L723-W1003 HydrophobicContact CB-CZ2 3.67Å; L723-W1003 HydrophobicContact CB-CZ3 3.5Å; L723-W1003 HydrophobicContact CD1-CD2 3.77Å; L723-W1003 HydrophobicContact CD1-CE3 3.31Å; L723-W1003 HydrophobicContact CD1-CG 4.38Å; L723-W1003 HydrophobicContact CD1-CH2 4.39Å; L723-W1003 HydrophobicContact CD1-CZ3 3.67Å; L723-W1003 HydrophobicContact CG-CE3 4.25Å; L723-W1003 HydrophobicContact CG-CZ3 4.17Å; Q724-W1003 HydrophobicContact CG-CZ2 3.74Å; Y764-W1003 HydrophobicContact CD2-CZ3 4.21Å; Y764-W1003 AromaticContact CE2-CH2 3.88Å; Y764-W1003 HydrophobicContact CE2-CH2 3.88Å; Y764-W1003 AromaticContact CE2-CZ3 3.71Å; Y764-W1003 HydrophobicContact CE2-CZ3 3.71Å; H999-W1003 PolarHBondContact O-N 3.16Å; F1000-W1003 WeakPolarHBondContact O-CB 3.26Å; F1000-W1003 PolarHBondContact O-N 2.85Å; F1000-W1003 VanDerWaalsContact O-N 3.13Å; Y1001-W1003 VanDerWaalsContact C-N 3.3Å; W1003-R1005 PolarHBondContact O-N 3.48Å; W1003-K1006 WeakPolarHBondContact O-CB 3.43Å; W1003-K1006 PolarHBondContact O-N 3.18Å
1004	L	89.9	Confident	73.8	Confident	26 Å²	26	90.3 Å²	90.3	14%	0.136	46%	0.462	C	S	.	.	H	α-helix	trans	-61	-26.6	179.7	-71	176.4	0	0	0	113.8	L760 F761 Y764 F1000 Y1001 K1006	L760-L1004 HydrophobicContact CB-CD1 4.45Å; F761-L1004 HydrophobicContact CB-CD1 4.06Å; Y764-L1004 HydrophobicContact CD1-CD2 4.26Å; Y764-L1004 HydrophobicContact CD2-CD2 3.94Å; Y764-L1004 HydrophobicContact CG-CD2 3.74Å; F1000-L1004 HydrophobicContact CD1-CD1 3.89Å; F1000-L1004 HydrophobicContact CE1-CD1 3.4Å; F1000-L1004 HydrophobicContact CE1-CG 4.21Å; F1000-L1004 HydrophobicContact CZ-CD1 4.12Å; F1000-L1004 PolarHBondContact O-N 3.41Å; F1000-L1004 VanDerWaalsContact O-N 3.11Å; Y1001-L1004 HydrophobicContact CD1-CD1 3.91Å; Y1001-L1004 HydrophobicContact CE1-CD1 4.11Å; L1004-K1006 VanDerWaalsContact C-N 3.32Å
1005	R	89.9	Confident	72.9	Confident	132 Å²	132	85.9 Å²	85.9	50%	0.498	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-13.8	175.8	-72.1	179.7	-179.4	104.1	-4.8	113.7	D757 L760 Y1001 W1003	D757-R1005 IonicContact OD1-CZ 3.99Å; D757-R1005 IonicContact OD1-NH2 2.85Å; D757-R1005 PolarHBondContact OD1-NH2 3.37Å; D757-R1005 IonicContact OD2-CZ 3.65Å; D757-R1005 IonicContact OD2-NH1 3.85Å; D757-R1005 IonicContact OD2-NH2 2.71Å; D757-R1005 PolarHBondContact OD2-NH2 3.18Å; L760-R1005 HydrophobicContact CD1-CG 3.96Å; Y1001-R1005 WeakPolarHBondContact O-CG 3.45Å; Y1001-R1005 PolarHBondContact O-N 3.12Å; Y1001-R1005 PolarHBondContact O-NH1 3.32Å; W1003-R1005 PolarHBondContact O-N 3.48Å
1006	K	82.3	Confident	71.9	Confident	125 Å²	125	86.3 Å²	86.3	54%	0.543	45%	0.454	S	S	.	.	S	Bend	trans	-71.3	138.8	-178.8	-68.2	-176.8	179.6	-176.3	0	110.7	W1003 L1004	W1003-K1006 WeakPolarHBondContact O-CB 3.43Å; W1003-K1006 PolarHBondContact O-N 3.18Å; L1004-K1006 VanDerWaalsContact C-N 3.32Å
1007	P	59.4	Low	70.8	Confident	78 Å²	78	89.4 Å²	89.4	51%	0.506	47%	0.471	S	S	.	.			trans	-66.3	147.1	175.1	25.3	-31.2	0	0	0	111	S1009 S1010	P1007-S1009 PolarHBondContact O-N 2.72Å; P1007-S1010 PolarHBondContact O-N 2.82Å; P1007-S1010 VanDerWaalsContact O-N 3.16Å; P1007-S1010 PolarHBondContact O-OG 2.89Å
1008	P	55.5	Low	69.5	Low	95 Å²	95	87.7 Å²	87.7	62%	0.617	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-58.4	-19.2	-174.8	-22.3	30.9	0	0	0	115.2	T1011	P1008-T1011 PolarHBondContact O-OG1 2.83Å
1009	S	43.4	Very low	68.1	Low	106 Å²	106	81 Å²	81	74%	0.741	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-87.5	-2.9	-176.5	49	0	0	0	0	114.6	P1007	P1007-S1009 PolarHBondContact O-N 2.72Å
1010	S	40.2	Very low	66.7	Low	60 Å²	60	78.1 Å²	78.1	42%	0.42	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-94.6	3.1	-176	61.2	0	0	0	0	115	P1007	P1007-S1010 PolarHBondContact O-N 2.82Å; P1007-S1010 VanDerWaalsContact O-N 3.16Å; P1007-S1010 PolarHBondContact O-OG 2.89Å
1011	T	42.8	Very low	64.8	Low	53 Å²	53	83.9 Å²	83.9	33%	0.325	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	3.1	-173.5	36.9	0	0	0	0	115.6	Q724 P1008	Q724-T1011 HydrophobicContact CG-CG2 4.26Å; P1008-T1011 PolarHBondContact O-OG1 2.83Å
1012	Y	37.2	Very low	62.5	Low	154 Å²	154	90.3 Å²	90.3	60%	0.604	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	17.8	174.7	-72.4	-74.3	0	0	0	114
1013	G	29.5	Very low	60	Low	128 Å²	128	90.8 Å²	90.8	100%	1.32	53%	0.534	S	S	*	.			trans	-92.2	0	172.9	0	0	0	0	0	112

Retrieved 1,013 of 1,013 residues in 773.7 ms (Link to these results)

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