A0A087YPJ1_POEFO Loading...

Endoplasmic reticulum metallopeptidase 1

AlphaFold DB , UniProt , Accession A0A087YPJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 889 aa.

						>A0A087YPJ1_POEFO|A0A087YPJ1
MESDTAVRRIKPSGTPRYGAEDGDGACGRNCEDNGYSGDPKRKPEVRLFLLREGLAAALLSGFVLLLWGLVHLSLQQLVIGKPSGEFNAERARRHLEQITSVGPRPVGSQENEVLTVGYLLEQIEDIRARTAAGPHRVTVDVQRPTGSFSIDFLGGFTSFYDRISNIAVKLEPKRGAQHLMLANCHFDTVANSPGASDDAVSCAVMLEVLHALANQSTPLHHGVVFLFNGAEENVLQASHGFITQHPWAKQVRAFINLEAAGVGGKEVVFQTGPENPWLVQAYVHAAKHPFASVVGQEVFQSGVIPSDTDFRIYRDFGNIPGIDLAFIENGFIYHTKYDTANRILTDSIQRAGDNILAVLKHLVTSEKLADSSEYRHGNMVFFDLLGVIAVAYPARVGTIINYMVAAATFLYLAKKASLPGNRGGRYVRDLACATGVAVLGWFVTLLSVLIVALLVTLLGRSMFWYTHFYAAICLYGAAATGKMILIHTLAKNLYYGGVRLVELGDLYFDVSLLLWCCSLVWLTQRGLCSAYVPMLMVAFPLVTRLLLTKEFKHRGASLKYSGLYLLGLALPYVHFMFLFWVVFEIFTPIMGRSGTEIPPEVVMASLVTLTIVFLSSYFLHFVYLVRSTKWILAALGSVFVIMFLLVSAGLFFPYSGNPNSPRPKRIFLQHTTRTFHNLQGRVESRDSGIWINSFDFTAVQHITPQIPEINDSIRTRCREDRPFCGYPWFLPVKFLSRKNWYLPAPEVSPGSPVDFSLTSKEETSWGTVKMTFSVKGPSHMSLYLMPHRGASLSTWSLGDGTPQFDLNGEYFVFYSHGLDAAPWTFWFEIQPPTEPDPAGPEGMISVAISTHYFFGEDRRTAQLEEILRKFPTWAFPSSWVSTYDMYRY
					

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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	32.5	Very low	30.1	Very low	224 Å²	224	161.7 Å²	161.7	100%	1.103	81%	0.812	S	S	*	*				0	75.5	0	-72.4	174.8	90.8	0	0	105.8
2	E	29	Very low	30.3	Very low	178 Å²	178	157.6 Å²	157.6	83%	0.832	81%	0.805	S	S	*	*				84.1	126.5	86.5	-83.4	179.9	161.8	0	0	109
3	S	31.3	Very low	30.1	Very low	91 Å²	91	154 Å²	154	64%	0.636	80%	0.803	S	S	*	*			cis	-166.9	133.9	6.6	50.1	0	0	0	0	106.2
4	D	33.7	Very low	29.8	Very low	146 Å²	146	148.6 Å²	148.6	78%	0.781	80%	0.803	S	S	*	*				83.5	144.4	107.6	-77.6	-14.1	0	0	0	113.9
5	T	32.4	Very low	29.7	Very low	115 Å²	115	147.8 Å²	147.8	71%	0.706	81%	0.805	S	S	*	*			cis	-166.3	130	-6.1	14.6	0	0	0	0	104.5
6	A	31.4	Very low	31.2	Very low	87 Å²	87	145.1 Å²	145.1	72%	0.719	80%	0.797	S	S	*	*				70.3	138.3	100.6	0	0	0	0	0	118.8
7	V	29.1	Very low	31	Very low	123 Å²	123	148.6 Å²	148.6	75%	0.745	80%	0.796	S	S	*	*			trans	114.1	109.7	139.2	-174.2	0	0	0	0	120.9
8	R	27.3	Very low	30.8	Very low	228 Å²	228	152.2 Å²	152.2	86%	0.86	80%	0.798	S	S	*	*			trans	63.2	133.1	134.2	-72.8	175.1	179.5	175.7	-1.5	125.6
9	R	27	Very low	30.6	Very low	230 Å²	230	148.3 Å²	148.3	87%	0.868	80%	0.798	S	S	*	*				27.9	141.4	128.2	-76.5	-178.2	-177.2	177.4	1.9	118.5
10	I	28.2	Very low	30.6	Very low	162 Å²	162	145.6 Å²	145.6	83%	0.831	80%	0.797	S	S	*	*				-166.2	138.8	91.7	-86.2	157	0	0	0	111.7
11	K	29.3	Very low	30.6	Very low	195 Å²	195	147.1 Å²	147.1	85%	0.848	80%	0.799	S	S	*	*			trans	-84.6	160.1	158.2	-97.2	-176	175.7	-180	0	109.8
12	P	31.9	Very low	30.5	Very low	112 Å²	112	144.3 Å²	144.3	73%	0.727	79%	0.788	S	S	*	*				-130	130.5	118.6	8.3	13.6	0	0	0	110.6
13	S	27.7	Very low	30.5	Very low	111 Å²	111	139.5 Å²	139.5	78%	0.776	79%	0.786	S	S	*	*				53.1	129.2	86.7	69.6	0	0	0	0	113.4
14	G	26.3	Very low	30.4	Very low	78 Å²	78	143.5 Å²	143.5	80%	0.804	80%	0.801	S	S	*	*			cis	-178.9	158.6	6.9	0	0	0	0	0	109.6
15	T	28.5	Very low	30.1	Very low	137 Å²	137	140.4 Å²	140.4	84%	0.84	80%	0.803	S	S	*	*			trans	-73.7	-173.7	165.9	39.3	0	0	0	0	111.6
16	P	53.1	Low	30	Very low	104 Å²	104	139.5 Å²	139.5	68%	0.675	81%	0.808	S	S	*	*				-131.7	-178.6	-54.7	32.5	-12.9	0	0	0	111.6
17	R	27.5	Very low	29.8	Very low	205 Å²	205	141.8 Å²	141.8	77%	0.774	82%	0.817	S	S	*	*			trans	137.5	145.8	133.5	-79.9	177.1	167.3	-176.9	-0.8	117.9
18	Y	27.9	Very low	29.8	Very low	214 Å²	214	139 Å²	139	84%	0.839	81%	0.813	S	S	*	*			trans	79.8	135.5	146.6	-80.5	-64.2	0	0	0	120.6
19	G	27.8	Very low	29.9	Very low	77 Å²	77	138.8 Å²	138.8	79%	0.794	81%	0.812	S	S	*	*			trans	146.5	101.9	158.3	0	0	0	0	0	112.7
20	A	30.1	Very low	29.9	Very low	95 Å²	95	134.6 Å²	134.6	79%	0.785	81%	0.807	S	S	*	*			trans	-91.1	-178.5	177.6	0	0	0	0	0	111.8
21	E	30	Very low	29.9	Very low	177 Å²	177	133.3 Å²	133.3	83%	0.827	81%	0.811	S	S	*	*			trans	93.2	108.8	158.7	-64.1	-179.7	170.1	0	0	118.9
22	D	31.2	Very low	29.8	Very low	165 Å²	165	133.1 Å²	133.1	88%	0.882	81%	0.813	S	S	*	*				45.6	133.3	118.9	-65.5	-12.9	0	0	0	121.1
23	G	28.2	Very low	29.7	Very low	77 Å²	77	135.2 Å²	135.2	79%	0.794	82%	0.818	S	S	*	*			trans	166.8	93.5	162.1	0	0	0	0	0	114.2
24	D	29.4	Very low	29.8	Very low	175 Å²	175	137.6 Å²	137.6	94%	0.936	82%	0.822	S	S	*	*			trans	-44.3	152.1	160.2	-84.9	-41.4	0	0	0	113.5
25	G	28	Very low	29.8	Very low	81 Å²	81	137.3 Å²	137.3	84%	0.835	82%	0.819	S	S	*	*			trans	171.2	87.3	166	0	0	0	0	0	116.9
26	A	29.4	Very low	29.9	Very low	97 Å²	97	142.4 Å²	142.4	80%	0.802	83%	0.825	S	S	*	*			trans	-49.3	156.3	171.3	0	0	0	0	0	117.9
27	C	28.4	Very low	28.7	Very low	134 Å²	134	142.9 Å²	142.9	91%	0.905	83%	0.831	S	S	*	*			trans	88.5	137.3	134.2	-130.9	0	0	0	0	121.9
28	G	27.6	Very low	28.9	Very low	65 Å²	65	136.6 Å²	136.6	67%	0.67	83%	0.829	S	S	*	*			trans	117.4	85.8	150.5	0	0	0	0	0	115.3
29	R	29.5	Very low	28.9	Very low	224 Å²	224	133.2 Å²	133.2	85%	0.845	83%	0.826	S	S	*	*				70.8	118.9	97.3	-82.7	-172.3	-152.3	179.7	7.9	116.9
30	N	27.8	Very low	29.5	Very low	141 Å²	141	134.8 Å²	134.8	75%	0.754	82%	0.822	S	S	*	*			trans	62.4	106.6	137.4	-62.8	6.5	0	0	0	119.6
31	C	27.4	Very low	29.8	Very low	136 Å²	136	139.7 Å²	139.7	92%	0.919	83%	0.826	S	S	*	*				-133.6	114.3	127.5	-80.6	0	0	0	0	108
32	E	29.1	Very low	30.1	Very low	191 Å²	191	142.3 Å²	142.3	89%	0.893	83%	0.828	S	S	*	*			trans	-71.7	130.8	157.4	-72	177.1	144	0	0	107.4
33	D	29.1	Very low	30.3	Very low	156 Å²	156	143.3 Å²	143.3	83%	0.834	82%	0.824	S	S	*	*			trans	-149.6	143.1	147.7	-137.7	-13.2	0	0	0	111.8
34	N	29.3	Very low	30.6	Very low	161 Å²	161	145 Å²	145	86%	0.861	82%	0.822	S	S	*	*			trans	-73.2	151.6	-163.3	-68.8	-68.8	0	0	0	114.1
35	G	26.8	Very low	31.1	Very low	72 Å²	72	145.5 Å²	145.5	74%	0.742	82%	0.819	S	S	*	*			trans	170	85.3	162.4	0	0	0	0	0	116.3	S37	G35-S37 PolarHBondContact O-N 3.36Å
36	Y	30.4	Very low	32.1	Very low	243 Å²	243	145.7 Å²	145.7	95%	0.953	80%	0.803	S	S	*	*			trans	-47.3	122.3	165.3	-108.1	-103.7	0	0	0	112.4
37	S	28.3	Very low	33.3	Very low	115 Å²	115	151.9 Å²	151.9	80%	0.804	81%	0.806	S	S	*	*			trans	-159.4	105.4	149.7	37.5	0	0	0	0	111.9	G35	G35-S37 PolarHBondContact O-N 3.36Å
38	G	31.2	Very low	35.5	Very low	72 Å²	72	147.4 Å²	147.4	74%	0.742	77%	0.773	S	S	*	*			trans	22.8	98.3	159	0	0	0	0	0	119.9	P40	G38-P40 WeakPolarHBondContact O-CD 3.5Å
39	D	28.9	Very low	37.8	Very low	143 Å²	143	150.2 Å²	150.2	77%	0.765	77%	0.766	S	S	*	*			trans	-78.9	113.5	159.6	-163.2	8.5	0	0	0	109.3	K41	D39-K41 PolarHBondContact O-N 3.07Å
40	P	39	Very low	40.3	Very low	110 Å²	110	141.9 Å²	141.9	71%	0.714	74%	0.739	S	S	*	*			trans	-74.7	99	172.5	29.8	-29	0	0	0	107.8	G38 R42	G38-P40 WeakPolarHBondContact O-CD 3.5Å; P40-R42 PolarHBondContact O-N 3.44Å
41	K	37	Very low	43	Very low	198 Å²	198	135.5 Å²	135.5	86%	0.861	70%	0.704	S	S	*	*			trans	0.5	88.3	164.4	-74.1	-178.6	177.1	176.7	0	112.8	D39 K43	D39-K41 PolarHBondContact O-N 3.07Å; K41-K43 PolarHBondContact O-N 2.87Å
42	R	36.2	Very low	45.9	Very low	232 Å²	232	138.1 Å²	138.1	88%	0.875	70%	0.695	S	S	*	*			trans	-55.8	104.4	164.6	-93.2	-179.2	170.9	177.1	-1.5	107	P40	P40-R42 PolarHBondContact O-N 3.44Å
43	K	35.7	Very low	48.8	Very low	186 Å²	186	130 Å²	130	81%	0.809	66%	0.657	S	S	*	*			trans	-53	133.6	166.3	-77.3	177.8	178.8	174.6	0	106.7	K41 E45	K41-K43 PolarHBondContact O-N 2.87Å; K43-E45 PolarHBondContact O-N 3.44Å; K43-E45 VanDerWaalsContact O-N 3.13Å
44	P	34.3	Very low	51.7	Low	114 Å²	114	125.2 Å²	125.2	74%	0.74	64%	0.644	S	S	*	*			trans	-55.3	125.4	179.2	21.8	-30.8	0	0	0	108.6	V46	P44-V46 VanDerWaalsContact C-N 3.28Å; P44-V46 PolarHBondContact O-N 3.47Å
45	E	38.8	Very low	54.6	Low	185 Å²	185	121.2 Å²	121.2	86%	0.864	62%	0.622	S	S	*	*			trans	-62.5	94.8	170.9	-87.6	-170.4	154.5	0	0	107.9	K43 R47	K43-E45 PolarHBondContact O-N 3.44Å; K43-E45 VanDerWaalsContact O-N 3.13Å; E45-R47 PolarHBondContact O-N 3.07Å
46	V	49.9	Very low	57.6	Low	84 Å²	84	118 Å²	118	51%	0.509	59%	0.589	S	S	.	*			trans	-65.7	100.3	171.7	-178.4	0	0	0	0	106.8	P44 L48 H554	P44-V46 VanDerWaalsContact C-N 3.28Å; P44-V46 PolarHBondContact O-N 3.47Å; V46-L48 HydrophobicContact CG1-CD2 4.28Å; V46-L48 HydrophobicContact CG1-CG 4.48Å; V46-L48 PolarHBondContact O-N 2.58Å; V46-H554 WeakPolarHBondContact CG1-O 3.42Å
47	R	55.4	Low	60.5	Low	228 Å²	228	107.9 Å²	107.9	86%	0.86	56%	0.555	S	S	*	*			trans	-63.1	97.4	171.3	-80.4	-173.6	177.4	-175	0.4	108.8	E45	E45-R47 PolarHBondContact O-N 3.07Å
48	L	73.2	Confident	63.6	Low	40 Å²	40	105.4 Å²	105.4	21%	0.209	54%	0.542	C	S	.	.			trans	-75.4	135.8	175.2	-69	164.3	0	0	0	110.4	V46 V502 G556	V46-L48 HydrophobicContact CG1-CD2 4.28Å; V46-L48 HydrophobicContact CG1-CG 4.48Å; V46-L48 PolarHBondContact O-N 2.58Å; L48-V502 HydrophobicContact CB-CG2 4.2Å; L48-V502 HydrophobicContact CD1-CB 4.36Å; L48-V502 HydrophobicContact CD1-CG1 4.38Å; L48-V502 HydrophobicContact CD1-CG2 4.1Å; L48-G556 VanDerWaalsContact CD2-N 3.33Å
49	F	75.7	Confident	66.6	Low	123 Å²	123	104.2 Å²	104.2	54%	0.539	52%	0.519	S	S	.	.	B	Isolated β-bridge	trans	-75.6	138.2	178.4	-68.7	-83.4	0	0	0	111	R555 A557	F49-R555 WeakPolarHBondContact CB-O 3.47Å; F49-R555 WeakPolarHBondContact CD2-O 3.45Å; F49-R555 PolarHBondContact N-O 3.35Å; F49-A557 WeakPolarHBondContact O-CB 3.48Å; F49-A557 PolarHBondContact O-N 3.41Å
50	L	82.4	Confident	69.8	Low	50 Å²	50	99 Å²	99	26%	0.262	49%	0.49	S	S	.	.			trans	-114.8	147.5	165.9	-67	173.3	0	0	0	108.1	L501 V502 L625 R627	L50-L501 HydrophobicContact CD1-CD1 3.88Å; L50-L501 HydrophobicContact CD2-CB 3.92Å; L50-L501 HydrophobicContact CD2-CD1 4.26Å; L50-V502 HydrophobicContact CD2-CG2 4.24Å; L50-L625 WeakPolarHBondContact CD2-O 3.26Å; L50-R627 HydrophobicContact CB-CG 4.1Å; L50-R627 HydrophobicContact CD1-CG 4.15Å
51	L	84.6	Confident	72.4	Confident	6 Å²	6	96.8 Å²	96.8	3%	0.031	48%	0.478	C	S	.	.	B	Isolated β-bridge	trans	-78.1	142.2	179.1	-70.3	164.5	0	0	0	110.9	L55 A56 A557 F622 L625 V626 R627	L51-L55 HydrophobicContact CD2-CD2 3.91Å; L51-L55 HydrophobicContact CD2-CG 4.41Å; L51-A56 HydrophobicContact CB-CB 4.15Å; L51-A56 HydrophobicContact CD1-CB 4.19Å; L51-A557 HydrophobicContact CD1-CB 4.22Å; L51-A557 WeakPolarHBondContact CD2-O 3.48Å; L51-A557 HydrophobicContact CG-CB 3.96Å; L51-F622 HydrophobicContact CD1-CD1 3.66Å; L51-F622 HydrophobicContact CD1-CE1 3.99Å; L51-L625 PolarHBondContact N-O 3.48Å; L51-L625 VanDerWaalsContact N-O 3.13Å; L51-V626 HydrophobicContact CB-CG2 4Å; L51-V626 WeakPolarHBondContact O-CA 3.26Å; L51-R627 PolarHBondContact O-N 3.43Å
52	R	88.9	Confident	75.2	Confident	192 Å²	192	89.2 Å²	89.2	73%	0.725	46%	0.455	S	S	*	.			trans	-72.1	145.5	163.3	-68.6	-175.4	177.5	-170	-0.6	108.7	G54 L55 A56	R52-G54 PolarHBondContact O-N 2.98Å; R52-L55 HydrophobicContact CB-CB 4.35Å; R52-L55 PolarHBondContact O-N 3.48Å; R52-L55 VanDerWaalsContact O-N 3.16Å; R52-A56 PolarHBondContact O-N 3.4Å
53	E	90.5	Very high	78.1	Confident	21 Å²	21	79 Å²	79	10%	0.098	42%	0.418	C	S	.	.	H	α-helix	trans	-53.3	-54.7	-177.5	-175.5	173.5	-173.8	0	0	112.7	L55 A56 A57 V626 S628 T629 K630 W631 I632	E53-L55 VanDerWaalsContact C-N 3.28Å; E53-L55 PolarHBondContact O-N 3.32Å; E53-A56 PolarHBondContact O-N 2.86Å; E53-A57 PolarHBondContact O-N 3.49Å; E53-V626 HydrophobicContact CB-CG1 3.99Å; E53-V626 HydrophobicContact CG-CG1 4.47Å; E53-S628 WeakPolarHBondContact CB-O 3.23Å; E53-S628 VanDerWaalsContact CG-O 3.23Å; E53-S628 WeakPolarHBondContact CG-O 3.31Å; E53-T629 VanDerWaalsContact OE1-CA 3.23Å; E53-T629 WeakPolarHBondContact OE1-CA 3.46Å; E53-K630 PolarHBondContact OE1-N 3.23Å; E53-K630 VanDerWaalsContact OE1-N 3.16Å; E53-W631 WeakPolarHBondContact OE1-CA 3.11Å; E53-W631 WeakPolarHBondContact OE1-CB 3.39Å; E53-W631 PolarHBondContact OE1-N 3.31Å; E53-I632 HydrophobicContact CG-CD1 3.6Å; E53-I632 HydrophobicContact CG-CG1 3.76Å; E53-I632 WeakPolarHBondContact OE1-CG1 3.41Å; E53-I632 PolarHBondContact OE1-N 3.48Å
54	G	89.4	Confident	80.9	Confident	55 Å²	55	72.5 Å²	72.5	57%	0.567	39%	0.393	S	S	*	.	H	α-helix	trans	-60.8	-34.6	179.3	0	0	0	0	0	113.8	R52 A58	R52-G54 PolarHBondContact O-N 2.98Å; G54-A58 VanDerWaalsContact O-CB 3.27Å; G54-A58 WeakPolarHBondContact O-CB 3.49Å; G54-A58 PolarHBondContact O-N 3.37Å
55	L	89.4	Confident	83.9	Confident	76 Å²	76	72.2 Å²	72.2	40%	0.398	39%	0.385	S	S	.	.	H	α-helix	trans	-69.4	-43.9	177.5	-178	65	0	0	0	111.4	L51 R52 E53 A58 L59 L559	L51-L55 HydrophobicContact CD2-CD2 3.91Å; L51-L55 HydrophobicContact CD2-CG 4.41Å; R52-L55 HydrophobicContact CB-CB 4.35Å; R52-L55 PolarHBondContact O-N 3.48Å; R52-L55 VanDerWaalsContact O-N 3.16Å; E53-L55 VanDerWaalsContact C-N 3.28Å; E53-L55 PolarHBondContact O-N 3.32Å; L55-A58 PolarHBondContact O-N 2.87Å; L55-L59 HydrophobicContact CD1-CD1 4.29Å; L55-L59 HydrophobicContact CD1-CG 4.39Å; L55-L59 HydrophobicContact CG-CD1 4.03Å; L55-L59 WeakPolarHBondContact O-CB 3.3Å; L55-L59 VanDerWaalsContact O-CG 3.23Å; L55-L59 WeakPolarHBondContact O-CG 3.27Å; L55-L59 PolarHBondContact O-N 2.72Å; L55-L559 HydrophobicContact CD1-CD1 4.39Å; L55-L559 HydrophobicContact CD2-CD1 4.46Å
56	A	89.8	Confident	86.6	Confident	4 Å²	4	68.6 Å²	68.6	3%	0.033	37%	0.371	C	S	.	.	H	α-helix	trans	-64.8	-43.7	176.9	0	0	0	0	0	111.7	L51 R52 E53 A58 L59 L60 V626	L51-A56 HydrophobicContact CB-CB 4.15Å; L51-A56 HydrophobicContact CD1-CB 4.19Å; R52-A56 PolarHBondContact O-N 3.4Å; E53-A56 PolarHBondContact O-N 2.86Å; A56-A58 PolarHBondContact O-N 2.68Å; A56-L59 PolarHBondContact O-N 3.02Å; A56-L60 WeakPolarHBondContact O-CB 3.48Å; A56-L60 WeakPolarHBondContact O-CG 3.13Å; A56-L60 PolarHBondContact O-N 2.77Å; A56-V626 HydrophobicContact CB-CG2 3.34Å
57	A	91.8	Very high	88.8	Confident	31 Å²	31	65 Å²	65	26%	0.256	35%	0.348	S	S	.	.	H	α-helix	trans	-60.1	-45.6	176	0	0	0	0	0	111.9	E53 S61 I632	E53-A57 PolarHBondContact O-N 3.49Å; A57-S61 VanDerWaalsContact O-CB 3.23Å; A57-S61 WeakPolarHBondContact O-CB 3.49Å; A57-S61 PolarHBondContact O-N 3.1Å; A57-S61 PolarHBondContact O-OG 3.09Å; A57-I632 HydrophobicContact CB-CD1 4.09Å; A57-I632 HydrophobicContact CB-CG1 4.24Å
58	A	93.8	Very high	90.7	Very high	63 Å²	63	60.4 Å²	60.4	52%	0.521	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-43.5	177.8	0	0	0	0	0	112.4	G54 L55 A56 G62	G54-A58 VanDerWaalsContact O-CB 3.27Å; G54-A58 WeakPolarHBondContact O-CB 3.49Å; G54-A58 PolarHBondContact O-N 3.37Å; L55-A58 PolarHBondContact O-N 2.87Å; A56-A58 PolarHBondContact O-N 2.68Å; A58-G62 PolarHBondContact O-N 2.99Å
59	L	94.4	Very high	91.7	Very high	48 Å²	48	60.1 Å²	60.1	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-63.9	-47.8	178.4	-73.7	169	0	0	0	112.4	L55 A56 F63 L559 L566	L55-L59 HydrophobicContact CD1-CD1 4.29Å; L55-L59 HydrophobicContact CD1-CG 4.39Å; L55-L59 HydrophobicContact CG-CD1 4.03Å; L55-L59 WeakPolarHBondContact O-CB 3.3Å; L55-L59 VanDerWaalsContact O-CG 3.23Å; L55-L59 WeakPolarHBondContact O-CG 3.27Å; L55-L59 PolarHBondContact O-N 2.72Å; A56-L59 PolarHBondContact O-N 3.02Å; L59-F63 WeakPolarHBondContact O-CB 3.31Å; L59-F63 PolarHBondContact O-N 3.28Å; L59-L559 HydrophobicContact CD1-CD1 3.62Å; L59-L559 HydrophobicContact CD2-CD1 3.92Å; L59-L559 HydrophobicContact CG-CD1 4.31Å; L59-L566 HydrophobicContact CB-CD1 4.43Å
60	L	94.6	Very high	92.6	Very high	32 Å²	32	58 Å²	58	17%	0.168	33%	0.332	C	S	.	.	H	α-helix	trans	-68.3	-43.4	-179.1	-66.7	178	0	0	0	111.6	A56 F63 V64 L566 F619 F622	A56-L60 WeakPolarHBondContact O-CB 3.48Å; A56-L60 WeakPolarHBondContact O-CG 3.13Å; A56-L60 PolarHBondContact O-N 2.77Å; L60-F63 PolarHBondContact O-N 3.24Å; L60-V64 WeakPolarHBondContact O-CG2 3.41Å; L60-V64 PolarHBondContact O-N 3.35Å; L60-L566 HydrophobicContact CD2-CD1 4.29Å; L60-L566 HydrophobicContact CD2-CD2 3.77Å; L60-F619 HydrophobicContact CD1-CB 4.47Å; L60-F619 HydrophobicContact CD1-CG 4.48Å; L60-F619 HydrophobicContact CD2-CD1 3.85Å; L60-F619 HydrophobicContact CD2-CD2 4.41Å; L60-F619 HydrophobicContact CD2-CE1 3.97Å; L60-F619 HydrophobicContact CD2-CG 4.1Å; L60-F619 HydrophobicContact CD2-CZ 4.3Å; L60-F622 HydrophobicContact CD1-CB 4.17Å; L60-F622 HydrophobicContact CD1-CD2 4.19Å; L60-F622 HydrophobicContact CD1-CG 4.34Å; L60-F622 HydrophobicContact CD2-CD2 3.73Å; L60-F622 HydrophobicContact CD2-CE2 3.8Å; L60-F622 HydrophobicContact CD2-CG 4.44Å; L60-F622 HydrophobicContact CG-CD2 4.46Å
61	S	93.9	Very high	93.2	Very high	65 Å²	65	55.7 Å²	55.7	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-65.2	-43.5	177.5	-51.8	0	0	0	0	111	A57 F63 V64 L65	A57-S61 VanDerWaalsContact O-CB 3.23Å; A57-S61 WeakPolarHBondContact O-CB 3.49Å; A57-S61 PolarHBondContact O-N 3.1Å; A57-S61 PolarHBondContact O-OG 3.09Å; S61-F63 VanDerWaalsContact C-N 3.33Å; S61-F63 PolarHBondContact O-N 2.88Å; S61-V64 PolarHBondContact O-N 2.88Å; S61-L65 WeakPolarHBondContact O-CB 3.42Å; S61-L65 VanDerWaalsContact O-CG 3.22Å; S61-L65 WeakPolarHBondContact O-CG 3.48Å; S61-L65 PolarHBondContact O-N 2.81Å
62	G	96.4	Very high	93.5	Very high	38 Å²	38	58.2 Å²	58.2	39%	0.392	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-40.1	175.7	0	0	0	0	0	112.8	A58 L66	A58-G62 PolarHBondContact O-N 2.99Å; G62-L66 VanDerWaalsContact O-CB 3.26Å; G62-L66 WeakPolarHBondContact O-CB 3.48Å; G62-L66 PolarHBondContact O-N 2.99Å
63	F	96.8	Very high	93.7	Very high	19 Å²	19	54.1 Å²	54.1	8%	0.083	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-50.6	174.2	174.2	-103.7	0	0	0	112	L59 L60 S61 L65 L66 L67 L566 L569 A570 Y573 F619	L59-F63 WeakPolarHBondContact O-CB 3.31Å; L59-F63 PolarHBondContact O-N 3.28Å; L60-F63 PolarHBondContact O-N 3.24Å; S61-F63 VanDerWaalsContact C-N 3.33Å; S61-F63 PolarHBondContact O-N 2.88Å; F63-L65 PolarHBondContact O-N 3.28Å; F63-L66 PolarHBondContact O-N 3.03Å; F63-L67 HydrophobicContact CD1-CD1 4.31Å; F63-L67 HydrophobicContact CD2-CD1 4.45Å; F63-L67 HydrophobicContact CD2-CG 4.47Å; F63-L67 HydrophobicContact CE1-CD1 3.67Å; F63-L67 HydrophobicContact CE2-CD1 3.82Å; F63-L67 HydrophobicContact CE2-CD2 4.45Å; F63-L67 HydrophobicContact CE2-CG 4.19Å; F63-L67 HydrophobicContact CZ-CD1 3.41Å; F63-L67 VanDerWaalsContact CZ-CD1 3.41Å; F63-L67 HydrophobicContact CZ-CG 4.25Å; F63-L67 WeakPolarHBondContact O-CG 3.45Å; F63-L67 PolarHBondContact O-N 3.26Å; F63-L566 HydrophobicContact CB-CD1 4.17Å; F63-L566 HydrophobicContact CD1-CD2 4.09Å; F63-L566 HydrophobicContact CD2-CB 3.87Å; F63-L566 HydrophobicContact CE1-CD2 4.33Å; F63-L566 HydrophobicContact CE2-CB 4.04Å; F63-L566 WeakPolarHBondContact CE2-O 3.36Å; F63-L566 HydrophobicContact CG-CB 4.27Å; F63-L566 HydrophobicContact CG-CD1 4.43Å; F63-L566 HydrophobicContact CG-CD2 4.18Å; F63-L566 WeakPolarHBondContact CZ-O 3.48Å; F63-L569 HydrophobicContact CZ-CB 4.17Å; F63-A570 HydrophobicContact CE2-CB 4.09Å; F63-Y573 AromaticContact CE1-CD1 3.99Å; F63-Y573 HydrophobicContact CE1-CD1 3.99Å; F63-Y573 HydrophobicContact CE1-CG 4.09Å; F63-Y573 HydrophobicContact CZ-CG 4.36Å; F63-F619 HydrophobicContact CD1-CE1 4.34Å; F63-F619 AromaticContact CD1-CZ 3.83Å; F63-F619 HydrophobicContact CD1-CZ 3.83Å; F63-F619 HydrophobicContact CE1-CE1 4.24Å; F63-F619 AromaticContact CE1-CZ 3.91Å; F63-F619 HydrophobicContact CE1-CZ 3.91Å
64	V	95.6	Very high	93.7	Very high	48 Å²	48	53.5 Å²	53.5	29%	0.291	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-44.7	178.7	173.1	0	0	0	0	111.1	L60 S61 L66 L67 W68 M577 F619	L60-V64 WeakPolarHBondContact O-CG2 3.41Å; L60-V64 PolarHBondContact O-N 3.35Å; S61-V64 PolarHBondContact O-N 2.88Å; V64-L66 PolarHBondContact O-N 2.92Å; V64-L67 PolarHBondContact O-N 3.03Å; V64-W68 VanDerWaalsContact O-CB 3.22Å; V64-W68 WeakPolarHBondContact O-CB 3.31Å; V64-W68 PolarHBondContact O-N 3.44Å; V64-M577 HydrophobicContact CG1-CE 3.85Å; V64-F619 HydrophobicContact CG2-CE2 3.86Å; V64-F619 HydrophobicContact CG2-CZ 4.17Å
65	L	95.9	Very high	93.6	Very high	109 Å²	109	51.4 Å²	51.4	57%	0.571	30%	0.297	S	S	*	.	H	α-helix	trans	-64.6	-38.6	178.6	-71.7	172	0	0	0	112.5	S61 F63 G69	S61-L65 WeakPolarHBondContact O-CB 3.42Å; S61-L65 VanDerWaalsContact O-CG 3.22Å; S61-L65 WeakPolarHBondContact O-CG 3.48Å; S61-L65 PolarHBondContact O-N 2.81Å; F63-L65 PolarHBondContact O-N 3.28Å; L65-G69 PolarHBondContact O-N 3.47Å
66	L	96.8	Very high	93.6	Very high	109 Å²	109	55.1 Å²	55.1	57%	0.571	31%	0.312	S	S	*	.	H	α-helix	trans	-62.1	-50.2	175.3	177	66.6	0	0	0	110.9	G62 F63 V64 W68 G69 L70	G62-L66 VanDerWaalsContact O-CB 3.26Å; G62-L66 WeakPolarHBondContact O-CB 3.48Å; G62-L66 PolarHBondContact O-N 2.99Å; F63-L66 PolarHBondContact O-N 3.03Å; V64-L66 PolarHBondContact O-N 2.92Å; L66-W68 VanDerWaalsContact C-N 3.34Å; L66-W68 PolarHBondContact O-N 3.31Å; L66-G69 PolarHBondContact O-N 2.97Å; L66-L70 WeakPolarHBondContact O-CG 2.99Å; L66-L70 PolarHBondContact O-N 3.45Å
67	L	96.3	Very high	93.6	Very high	7 Å²	7	59 Å²	59	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-40.1	179.6	-63.9	-168.9	0	0	0	112	F63 V64 G69 L70 V71 A570 Y573 V574 M577	F63-L67 HydrophobicContact CD1-CD1 4.31Å; F63-L67 HydrophobicContact CD2-CD1 4.45Å; F63-L67 HydrophobicContact CD2-CG 4.47Å; F63-L67 HydrophobicContact CE1-CD1 3.67Å; F63-L67 HydrophobicContact CE2-CD1 3.82Å; F63-L67 HydrophobicContact CE2-CD2 4.45Å; F63-L67 HydrophobicContact CE2-CG 4.19Å; F63-L67 HydrophobicContact CZ-CD1 3.41Å; F63-L67 VanDerWaalsContact CZ-CD1 3.41Å; F63-L67 HydrophobicContact CZ-CG 4.25Å; F63-L67 WeakPolarHBondContact O-CG 3.45Å; F63-L67 PolarHBondContact O-N 3.26Å; V64-L67 PolarHBondContact O-N 3.03Å; L67-G69 VanDerWaalsContact C-N 3.33Å; L67-G69 PolarHBondContact O-N 3.28Å; L67-L70 HydrophobicContact CD2-CD1 4.19Å; L67-L70 WeakPolarHBondContact O-CB 3.19Å; L67-L70 PolarHBondContact O-N 3.45Å; L67-V71 WeakPolarHBondContact O-CG2 3.17Å; L67-V71 PolarHBondContact O-N 2.97Å; L67-A570 HydrophobicContact CD2-CB 4.33Å; L67-Y573 VanDerWaalsContact CD1-CB 3.49Å; L67-V574 HydrophobicContact CB-CG2 4.44Å; L67-V574 HydrophobicContact CD1-CB 4.43Å; L67-V574 HydrophobicContact CD2-CB 4.21Å; L67-V574 HydrophobicContact CD2-CG2 4.46Å; L67-M577 HydrophobicContact CB-SD 3.68Å; L67-M577 HydrophobicContact CD1-SD 4.35Å
68	W	94	Very high	93.6	Very high	133 Å²	133	58.1 Å²	58.1	50%	0.504	32%	0.321	S	S	.	.	H	α-helix	trans	-60.2	-43.5	173.5	-175.2	68.5	0	0	0	111.7	V64 L66 L70 V71 H72 M577	V64-W68 VanDerWaalsContact O-CB 3.22Å; V64-W68 WeakPolarHBondContact O-CB 3.31Å; V64-W68 PolarHBondContact O-N 3.44Å; L66-W68 VanDerWaalsContact C-N 3.34Å; L66-W68 PolarHBondContact O-N 3.31Å; W68-L70 VanDerWaalsContact C-N 3.33Å; W68-L70 PolarHBondContact O-N 3.06Å; W68-V71 PolarHBondContact O-N 3.39Å; W68-H72 AromaticContact CD1-CD2 3.75Å; W68-H72 AromaticContact CD1-NE2 3.83Å; W68-H72 AromaticContact CD2-CD2 3.52Å; W68-H72 AromaticContact CD2-NE2 3.92Å; W68-H72 AromaticContact CE2-CD2 3.11Å; W68-H72 AromaticContact CE2-NE2 3Å; W68-H72 AromaticContact CG-CD2 3.93Å; W68-H72 AromaticContact CH2-CD2 3.96Å; W68-H72 AromaticContact CH2-NE2 3.97Å; W68-H72 AromaticContact CZ2-CD2 3.38Å; W68-H72 WeakPolarHBondContact CZ2-CD2 3.25Å; W68-H72 AromaticContact CZ2-CE1 3.99Å; W68-H72 AromaticContact CZ2-NE2 3.05Å; W68-H72 WeakPolarHBondContact CZ2-NE2 3.25Å; W68-H72 AromaticContact NE1-CD2 3.26Å; W68-H72 PolarHBondContact NE1-CD2 3.31Å; W68-H72 VanDerWaalsContact NE1-CD2 3.26Å; W68-H72 AromaticContact NE1-NE2 2.95Å; W68-H72 PolarHBondContact NE1-NE2 2.86Å; W68-H72 PolarHBondContact O-CD2 3.19Å; W68-H72 PolarHBondContact O-N 3.36Å; W68-M577 HydrophobicContact CB-CE 3.68Å; W68-M577 HydrophobicContact CG-CE 4.36Å
69	G	95.3	Very high	93.4	Very high	34 Å²	34	56.4 Å²	56.4	35%	0.351	30%	0.304	S	S	.	.	H	α-helix	trans	-60.5	-39.4	174.2	0	0	0	0	0	113	L65 L66 L67 H72 L73	L65-G69 PolarHBondContact O-N 3.47Å; L66-G69 PolarHBondContact O-N 2.97Å; L67-G69 VanDerWaalsContact C-N 3.33Å; L67-G69 PolarHBondContact O-N 3.28Å; G69-H72 PolarHBondContact O-N 2.96Å; G69-L73 WeakPolarHBondContact O-CB 3.43Å; G69-L73 PolarHBondContact O-N 3.39Å
70	L	94.3	Very high	92.8	Very high	77 Å²	77	56.9 Å²	56.9	40%	0.403	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-42.5	174.5	-68.8	174.6	0	0	0	112.3	L66 L67 W68 L73 S74 V574	L66-L70 WeakPolarHBondContact O-CG 2.99Å; L66-L70 PolarHBondContact O-N 3.45Å; L67-L70 HydrophobicContact CD2-CD1 4.19Å; L67-L70 WeakPolarHBondContact O-CB 3.19Å; L67-L70 PolarHBondContact O-N 3.45Å; W68-L70 VanDerWaalsContact C-N 3.33Å; W68-L70 PolarHBondContact O-N 3.06Å; L70-L73 PolarHBondContact O-N 3.3Å; L70-S74 WeakPolarHBondContact O-CB 3.43Å; L70-S74 PolarHBondContact O-N 2.93Å; L70-V574 HydrophobicContact CB-CG2 4.4Å
71	V	93.9	Very high	92.3	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.018	33%	0.328	C	S	.	.	H	α-helix	trans	-60.6	-48.6	174.4	169.3	0	0	0	0	110.2	L67 W68 L73 S74 L75 L386 V574 M577 F578	L67-V71 WeakPolarHBondContact O-CG2 3.17Å; L67-V71 PolarHBondContact O-N 2.97Å; W68-V71 PolarHBondContact O-N 3.39Å; V71-L73 PolarHBondContact O-N 3.13Å; V71-S74 WeakPolarHBondContact O-CB 3.48Å; V71-S74 PolarHBondContact O-N 3.29Å; V71-L75 HydrophobicContact CG1-CD1 3.86Å; V71-L75 HydrophobicContact CG1-CG 4.42Å; V71-L75 VanDerWaalsContact O-CG 3.28Å; V71-L75 WeakPolarHBondContact O-CG 3.48Å; V71-L75 PolarHBondContact O-N 3.15Å; V71-L386 HydrophobicContact CG2-CD2 3.95Å; V71-V574 HydrophobicContact CG2-CG2 3.79Å; V71-M577 HydrophobicContact CG2-CB 4.15Å; V71-F578 HydrophobicContact CG1-CD2 4.21Å; V71-F578 HydrophobicContact CG2-CB 4.3Å
72	H	92.3	Very high	91.6	Very high	58 Å²	58	64.6 Å²	64.6	27%	0.269	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-42	178.4	-88.7	-70.8	0	0	0	113.5	W68 G69 S74 L75 Q76	W68-H72 AromaticContact CD1-CD2 3.75Å; W68-H72 AromaticContact CD1-NE2 3.83Å; W68-H72 AromaticContact CD2-CD2 3.52Å; W68-H72 AromaticContact CD2-NE2 3.92Å; W68-H72 AromaticContact CE2-CD2 3.11Å; W68-H72 AromaticContact CE2-NE2 3Å; W68-H72 AromaticContact CG-CD2 3.93Å; W68-H72 AromaticContact CH2-CD2 3.96Å; W68-H72 AromaticContact CH2-NE2 3.97Å; W68-H72 AromaticContact CZ2-CD2 3.38Å; W68-H72 WeakPolarHBondContact CZ2-CD2 3.25Å; W68-H72 AromaticContact CZ2-CE1 3.99Å; W68-H72 AromaticContact CZ2-NE2 3.05Å; W68-H72 WeakPolarHBondContact CZ2-NE2 3.25Å; W68-H72 AromaticContact NE1-CD2 3.26Å; W68-H72 PolarHBondContact NE1-CD2 3.31Å; W68-H72 VanDerWaalsContact NE1-CD2 3.26Å; W68-H72 AromaticContact NE1-NE2 2.95Å; W68-H72 PolarHBondContact NE1-NE2 2.86Å; W68-H72 PolarHBondContact O-CD2 3.19Å; W68-H72 PolarHBondContact O-N 3.36Å; G69-H72 PolarHBondContact O-N 2.96Å; H72-S74 VanDerWaalsContact C-N 3.31Å; H72-S74 PolarHBondContact O-N 3.02Å; H72-L75 PolarHBondContact O-N 3.39Å; H72-Q76 WeakPolarHBondContact O-CG 3.39Å; H72-Q76 PolarHBondContact O-N 3.49Å
73	L	92.1	Very high	90.8	Very high	106 Å²	106	66.3 Å²	66.3	56%	0.555	35%	0.352	S	S	*	.	H	α-helix	trans	-61	-43.3	176	-178.9	65.1	0	0	0	111.1	G69 L70 V71 Q76 Q77	G69-L73 WeakPolarHBondContact O-CB 3.43Å; G69-L73 PolarHBondContact O-N 3.39Å; L70-L73 PolarHBondContact O-N 3.3Å; V71-L73 PolarHBondContact O-N 3.13Å; L73-Q76 PolarHBondContact O-N 2.84Å; L73-Q77 PolarHBondContact O-N 2.94Å
74	S	90.6	Very high	89.9	Confident	8 Å²	8	68.7 Å²	68.7	6%	0.056	37%	0.371	C	S	.	.	H	α-helix	trans	-58.1	-48.5	174.6	158.3	0	0	0	0	111.4	L70 V71 H72 Q76 Q77 K266 L386	L70-S74 WeakPolarHBondContact O-CB 3.43Å; L70-S74 PolarHBondContact O-N 2.93Å; V71-S74 WeakPolarHBondContact O-CB 3.48Å; V71-S74 PolarHBondContact O-N 3.29Å; H72-S74 VanDerWaalsContact C-N 3.31Å; H72-S74 PolarHBondContact O-N 3.02Å; S74-Q76 VanDerWaalsContact C-N 3.33Å; S74-Q76 PolarHBondContact O-N 3.3Å; S74-Q77 PolarHBondContact O-N 3.22Å; S74-K266 VanDerWaalsContact O-CE 3.28Å; S74-K266 WeakPolarHBondContact O-CE 3.32Å; S74-K266 PolarHBondContact O-NZ 2.9Å; S74-K266 PolarHBondContact OG-NZ 2.87Å; S74-L386 WeakPolarHBondContact OG-CA 3.17Å; S74-L386 PolarHBondContact OG-O 3.48Å
75	L	88.4	Confident	89.3	Confident	11 Å²	11	69.4 Å²	69.4	6%	0.058	39%	0.388	C	S	.	.	H	α-helix	trans	-62.9	-39	-177.3	-67.2	168	0	0	0	112.4	V71 H72 Q77 F578 W581	V71-L75 HydrophobicContact CG1-CD1 3.86Å; V71-L75 HydrophobicContact CG1-CG 4.42Å; V71-L75 VanDerWaalsContact O-CG 3.28Å; V71-L75 WeakPolarHBondContact O-CG 3.48Å; V71-L75 PolarHBondContact O-N 3.15Å; H72-L75 PolarHBondContact O-N 3.39Å; L75-Q77 PolarHBondContact O-N 3.43Å; L75-F578 HydrophobicContact CD2-CD2 4.32Å; L75-F578 HydrophobicContact CD2-CE2 3.73Å; L75-F578 HydrophobicContact CG-CE2 4.5Å; L75-W581 HydrophobicContact CD1-CD2 3.39Å; L75-W581 HydrophobicContact CD1-CE3 3.92Å; L75-W581 HydrophobicContact CD1-CG 3.69Å; L75-W581 HydrophobicContact CD1-CH2 4.32Å; L75-W581 HydrophobicContact CD1-CZ2 3.85Å; L75-W581 HydrophobicContact CD1-CZ3 4.36Å; L75-W581 HydrophobicContact CD2-CD2 3.97Å; L75-W581 HydrophobicContact CD2-CE3 3.57Å; L75-W581 HydrophobicContact CD2-CH2 3.54Å; L75-W581 HydrophobicContact CD2-CZ2 3.93Å; L75-W581 HydrophobicContact CD2-CZ3 3.36Å; L75-W581 HydrophobicContact CG-CD2 4.31Å; L75-W581 HydrophobicContact CG-CE3 4.38Å; L75-W581 HydrophobicContact CG-CH2 4.48Å; L75-W581 HydrophobicContact CG-CZ2 4.41Å; L75-W581 HydrophobicContact CG-CZ3 4.48Å
76	Q	88.8	Confident	89	Confident	154 Å²	154	68.2 Å²	68.2	72%	0.72	38%	0.38	S	S	*	.	H	α-helix	trans	-67.5	-24.3	174.8	-70.8	179.5	-19.1	0	0	113.2	H72 L73 S74 L78	H72-Q76 WeakPolarHBondContact O-CG 3.39Å; H72-Q76 PolarHBondContact O-N 3.49Å; L73-Q76 PolarHBondContact O-N 2.84Å; S74-Q76 VanDerWaalsContact C-N 3.33Å; S74-Q76 PolarHBondContact O-N 3.3Å; Q76-L78 PolarHBondContact O-N 3.29Å
77	Q	90.4	Very high	89	Confident	87 Å²	87	63.1 Å²	63.1	41%	0.407	35%	0.353	S	S	.	.			trans	-83.8	95.3	178	-170.9	176.4	8.6	0	0	111	L73 S74 L75 K266	L73-Q77 PolarHBondContact O-N 2.94Å; S74-Q77 PolarHBondContact O-N 3.22Å; L75-Q77 PolarHBondContact O-N 3.43Å; Q77-K266 VanDerWaalsContact O-CE 3.25Å; Q77-K266 WeakPolarHBondContact O-CE 3.45Å
78	L	90.9	Very high	89	Confident	11 Å²	11	66 Å²	66	6%	0.058	37%	0.368	C	S	.	.			trans	-82.8	-41.2	178.5	-61.7	-178.4	0	0	0	113	Q76 K266 L345 D347 S348 R351	Q76-L78 PolarHBondContact O-N 3.29Å; L78-K266 HydrophobicContact CD2-CG 3.75Å; L78-L345 HydrophobicContact CD1-CB 4.34Å; L78-L345 HydrophobicContact CD1-CD1 3.88Å; L78-D347 HydrophobicContact CB-CB 4.03Å; L78-D347 HydrophobicContact CD1-CB 3.96Å; L78-S348 WeakPolarHBondContact CD1-OG 3.26Å; L78-R351 WeakPolarHBondContact O-CD 3.46Å; L78-R351 VanDerWaalsContact O-CG 3.29Å; L78-R351 WeakPolarHBondContact O-CG 3.27Å; L78-R351 PolarHBondContact O-NH1 3Å
79	V	90.5	Very high	89.2	Confident	27 Å²	27	59.8 Å²	59.8	16%	0.164	35%	0.345	C	S	.	.	S	Bend	trans	-111.7	129.3	-179.5	-179	0	0	0	0	110	D347 Q350 R351	V79-D347 HydrophobicContact CG2-CB 4.09Å; V79-Q350 HydrophobicContact CG2-CB 4.27Å; V79-Q350 HydrophobicContact CG2-CG 4.31Å; V79-R351 HydrophobicContact CG2-CB 4.43Å
80	I	82.3	Confident	89.3	Confident	58 Å²	58	63.7 Å²	63.7	30%	0.297	35%	0.354	S	S	.	.			trans	-96.3	124.3	175.2	-57.2	175.3	0	0	0	109.4	H289 G387	I80-H289 PolarHBondContact N-CE1 3.23Å; I80-H289 PolarHBondContact N-ND1 3.42Å; I80-H289 PolarHBondContact O-CE1 3.48Å; I80-G387 WeakPolarHBondContact CD1-O 3.46Å
81	G	82.9	Confident	89.5	Confident	62 Å²	62	63.3 Å²	63.3	64%	0.639	35%	0.347	S	S	*	.	S	Bend	trans	73.3	-162.2	-179.1	0	0	0	0	0	113
82	K	79.4	Confident	89.7	Confident	197 Å²	197	63.1 Å²	63.1	86%	0.857	35%	0.347	S	S	*	.	S	Bend	trans	-92.5	139	177.7	-69.6	-173.5	178.6	-177	0	110	S84	K82-S84 PolarHBondContact O-N 3.45Å
83	P	79.6	Confident	90	Very high	75 Å²	75	61.5 Å²	61.5	49%	0.487	34%	0.338	S	S	.	.			trans	-53.6	133	173.5	-26.2	34.4	0	0	0	111.3	G85 Q350	P83-G85 PolarHBondContact O-N 3.39Å; P83-Q350 HydrophobicContact CG-CG 4.4Å
84	S	77.8	Confident	90.3	Very high	68 Å²	68	63.6 Å²	63.6	48%	0.476	34%	0.338	S	S	.	.			trans	-67.2	-17.2	179.1	58.4	0	0	0	0	113.9	K82 E86 K288	K82-S84 PolarHBondContact O-N 3.45Å; S84-E86 PolarHBondContact O-N 2.96Å; S84-K288 PolarHBondContact OG-NZ 2.92Å
85	G	82.5	Confident	90.7	Very high	63 Å²	63	63.8 Å²	63.8	65%	0.649	34%	0.338	S	S	*	.	S	Bend	trans	79.6	-2.8	-174.2	0	0	0	0	0	114.6	P83	P83-G85 PolarHBondContact O-N 3.39Å
86	E	90.1	Very high	91.2	Very high	85 Å²	85	63.2 Å²	63.2	40%	0.397	34%	0.336	S	S	.	.	S	Bend	trans	-68.5	-38.6	176.4	-67.9	-175.2	135	0	0	112.6	S84 K288 L357 K361	S84-E86 PolarHBondContact O-N 2.96Å; E86-K288 IonicContact OE2-NZ 2.68Å; E86-K288 PolarHBondContact OE2-NZ 2.73Å; E86-L357 HydrophobicContact CB-CD2 3.86Å; E86-K361 IonicContact OE1-NZ 2.83Å; E86-K361 PolarHBondContact OE1-NZ 2.78Å
87	F	96.9	Very high	91.6	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.009	32%	0.322	C	S	.	.	S	Bend	trans	-108.4	134.2	173.9	179	-90.1	0	0	0	110	A89 A92 V205 E208 V209 I349 Q350 L357	F87-A89 HydrophobicContact CE1-CB 4.1Å; F87-A92 HydrophobicContact CE1-CB 4.34Å; F87-A92 HydrophobicContact CZ-CB 3.76Å; F87-V205 HydrophobicContact CE2-CG1 4.02Å; F87-V205 HydrophobicContact CZ-CB 4.4Å; F87-V205 HydrophobicContact CZ-CG1 4.13Å; F87-V205 HydrophobicContact CZ-CG2 4.15Å; F87-E208 HydrophobicContact CD2-CB 4.15Å; F87-E208 HydrophobicContact CD2-CG 3.53Å; F87-E208 HydrophobicContact CE2-CB 3.53Å; F87-E208 HydrophobicContact CE2-CG 3.38Å; F87-E208 HydrophobicContact CG-CG 4.18Å; F87-E208 HydrophobicContact CZ-CB 4.05Å; F87-E208 HydrophobicContact CZ-CG 3.92Å; F87-V209 HydrophobicContact CD2-CG2 4.08Å; F87-V209 HydrophobicContact CE2-CG2 3.99Å; F87-I349 HydrophobicContact CE1-CG2 4.18Å; F87-I349 WeakPolarHBondContact CE1-O 3.41Å; F87-I349 HydrophobicContact CZ-CG2 4.26Å; F87-Q350 PolarHBondContact O-NE2 3.03Å; F87-Q350 VanDerWaalsContact O-NE2 3.1Å; F87-Q350 PolarHBondContact O-OE1 3.49Å; F87-L357 HydrophobicContact CB-CD2 4.02Å
88	N	97.1	Very high	92	Very high	66 Å²	66	60.8 Å²	60.8	35%	0.353	32%	0.324	S	S	.	.			trans	-109.2	99.9	-179.9	-170.5	-45.3	0	0	0	112.5	E90 R91 A92 E208	N88-E90 VanDerWaalsContact C-N 3.29Å; N88-E90 PolarHBondContact O-N 2.67Å; N88-E90 WeakPolarHBondContact OD1-CB 3.46Å; N88-E90 PolarHBondContact OD1-N 3.03Å; N88-R91 HydrophobicContact CB-CB 4.26Å; N88-R91 PolarHBondContact O-N 3.08Å; N88-R91 PolarHBondContact OD1-N 3.37Å; N88-A92 PolarHBondContact O-N 3.48Å; N88-E208 WeakPolarHBondContact CB-OE1 3.39Å; N88-E208 PolarHBondContact N-OE1 3.2Å; N88-E208 VanDerWaalsContact N-OE1 3.13Å
89	A	97.3	Very high	92.4	Very high	3 Å²	3	60.4 Å²	60.4	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-27.3	179.3	0	0	0	0	0	114.7	F87 A92 R93 T346 I349 Q350	F87-A89 HydrophobicContact CE1-CB 4.1Å; A89-A92 PolarHBondContact O-N 3.16Å; A89-R93 VanDerWaalsContact O-CB 3.27Å; A89-R93 WeakPolarHBondContact O-CB 3.49Å; A89-R93 PolarHBondContact O-N 2.7Å; A89-T346 HydrophobicContact CB-CG2 3.69Å; A89-I349 HydrophobicContact CB-CB 4.32Å; A89-I349 HydrophobicContact CB-CG2 4.15Å; A89-Q350 HydrophobicContact CB-CB 3.68Å; A89-Q350 HydrophobicContact CB-CG 4.4Å
90	E	97.6	Very high	92.7	Very high	117 Å²	117	60 Å²	60	55%	0.547	32%	0.32	S	S	.	.	H	α-helix	trans	-71.9	-30.2	176.8	-65.6	-62.8	157.6	0	0	112	N88 R94	N88-E90 VanDerWaalsContact C-N 3.29Å; N88-E90 PolarHBondContact O-N 2.67Å; N88-E90 WeakPolarHBondContact OD1-CB 3.46Å; N88-E90 PolarHBondContact OD1-N 3.03Å; E90-R94 WeakPolarHBondContact O-CG 3.33Å; E90-R94 PolarHBondContact O-N 2.98Å
91	R	97.7	Very high	93.4	Very high	68 Å²	68	61.2 Å²	61.2	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-72	-47.4	171.2	-163.4	-174.2	-30.3	-143.5	-4.9	111	N88 R93 R94 H95 E208 H211	N88-R91 HydrophobicContact CB-CB 4.26Å; N88-R91 PolarHBondContact O-N 3.08Å; N88-R91 PolarHBondContact OD1-N 3.37Å; R91-R93 VanDerWaalsContact C-N 3.3Å; R91-R93 PolarHBondContact O-N 3.24Å; R91-R94 PolarHBondContact O-N 2.74Å; R91-R94 VanDerWaalsContact O-N 3.13Å; R91-H95 PolarHBondContact O-CD2 2.98Å; R91-H95 PolarHBondContact O-N 2.99Å; R91-H95 VanDerWaalsContact O-N 3.15Å; R91-E208 WeakPolarHBondContact CD-OE2 3.46Å; R91-E208 IonicContact CZ-OE2 3.63Å; R91-E208 IonicContact NE-OE1 3.81Å; R91-E208 IonicContact NE-OE2 2.81Å; R91-E208 PolarHBondContact NE-OE2 3.26Å; R91-H211 VanDerWaalsContact CZ-CE1 3.4Å; R91-H211 PolarHBondContact NH1-CE1 2.92Å; R91-H211 PolarHBondContact NH1-NE2 3.45Å; R91-H211 PolarHBondContact NH2-CE1 3.48Å; R91-H211 VanDerWaalsContact NH2-CE1 3.28Å
92	A	98.5	Very high	94.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.8	-42.6	174.6	0	0	0	0	0	111.5	F87 N88 A89 R94 H95 L96 A204 E208 I349	F87-A92 HydrophobicContact CE1-CB 4.34Å; F87-A92 HydrophobicContact CZ-CB 3.76Å; N88-A92 PolarHBondContact O-N 3.48Å; A89-A92 PolarHBondContact O-N 3.16Å; A92-R94 VanDerWaalsContact C-N 3.31Å; A92-R94 PolarHBondContact O-N 3.45Å; A92-H95 WeakPolarHBondContact O-CA 3.05Å; A92-H95 WeakPolarHBondContact O-CB 3.31Å; A92-H95 PolarHBondContact O-N 3.16Å; A92-L96 PolarHBondContact O-N 3.29Å; A92-A204 WeakPolarHBondContact O-CB 3.43Å; A92-E208 HydrophobicContact CB-CB 4.13Å; A92-I349 HydrophobicContact CB-CG2 3.57Å
93	R	98.5	Very high	94.8	Very high	23 Å²	23	51.7 Å²	51.7	9%	0.087	28%	0.283	C	S	.	.	H	α-helix	trans	-51.7	-48.1	173.2	172.7	67.2	72.4	-166.5	12.9	112.4	A89 R91 H95 L96 E97 A341 I344 T346 I349	A89-R93 VanDerWaalsContact O-CB 3.27Å; A89-R93 WeakPolarHBondContact O-CB 3.49Å; A89-R93 PolarHBondContact O-N 2.7Å; R91-R93 VanDerWaalsContact C-N 3.3Å; R91-R93 PolarHBondContact O-N 3.24Å; R93-H95 VanDerWaalsContact C-N 3.3Å; R93-H95 PolarHBondContact O-N 3.49Å; R93-L96 WeakPolarHBondContact O-CB 3.43Å; R93-L96 PolarHBondContact O-N 3.4Å; R93-E97 WeakPolarHBondContact CD-OE1 3.49Å; R93-E97 WeakPolarHBondContact O-CG 3.28Å; R93-E97 PolarHBondContact O-N 3.32Å; R93-A341 PolarHBondContact NH1-O 2.88Å; R93-I344 PolarHBondContact NH1-O 3.06Å; R93-I344 PolarHBondContact NH2-O 2.91Å; R93-T346 PolarHBondContact NE-OG1 2.84Å; R93-T346 PolarHBondContact NH2-OG1 2.92Å; R93-I349 HydrophobicContact CB-CD1 4.42Å
94	R	98.5	Very high	95.7	Very high	150 Å²	150	50.1 Å²	50.1	57%	0.566	27%	0.273	S	S	*	.	H	α-helix	trans	-62.2	-39.2	178.5	-73.2	-176.4	-70.1	158.4	-1	111.4	E90 R91 A92 E97 Q98	E90-R94 WeakPolarHBondContact O-CG 3.33Å; E90-R94 PolarHBondContact O-N 2.98Å; R91-R94 PolarHBondContact O-N 2.74Å; R91-R94 VanDerWaalsContact O-N 3.13Å; A92-R94 VanDerWaalsContact C-N 3.31Å; A92-R94 PolarHBondContact O-N 3.45Å; R94-E97 PolarHBondContact O-N 3.13Å; R94-Q98 VanDerWaalsContact O-CG 3.3Å; R94-Q98 WeakPolarHBondContact O-CG 3.26Å; R94-Q98 PolarHBondContact O-N 3.14Å
95	H	98.6	Very high	96.7	Very high	12 Å²	12	46.9 Å²	46.9	6%	0.056	25%	0.25	C	S	.	.	H	α-helix	trans	-61.8	-45.5	174.2	-62.5	-52.3	0	0	0	112.4	R91 A92 R93 E97 Q98 I99 Y119 Q123 A204 L207	R91-H95 PolarHBondContact O-CD2 2.98Å; R91-H95 PolarHBondContact O-N 2.99Å; R91-H95 VanDerWaalsContact O-N 3.15Å; A92-H95 WeakPolarHBondContact O-CA 3.05Å; A92-H95 WeakPolarHBondContact O-CB 3.31Å; A92-H95 PolarHBondContact O-N 3.16Å; R93-H95 VanDerWaalsContact C-N 3.3Å; R93-H95 PolarHBondContact O-N 3.49Å; H95-E97 PolarHBondContact O-N 3.27Å; H95-Q98 PolarHBondContact O-N 3.31Å; H95-I99 VanDerWaalsContact O-CG1 3.28Å; H95-I99 WeakPolarHBondContact O-CG1 3.35Å; H95-I99 PolarHBondContact O-N 2.81Å; H95-Y119 WeakPolarHBondContact CA-OH 3.48Å; H95-Y119 AromaticContact ND1-CZ 3.82Å; H95-Y119 PolarHBondContact ND1-OH 3.38Å; H95-Q123 PolarHBondContact CE1-OE1 3.03Å; H95-A204 HydrophobicContact CB-CB 3.76Å; H95-L207 HydrophobicContact CB-CD1 4.09Å
96	L	98.6	Very high	97.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.8	-46.9	175.7	165.5	64	0	0	0	111.7	A92 R93 Q98 I99 T100 A196 A200 V201 A204 A341 I344 I349	A92-L96 PolarHBondContact O-N 3.29Å; R93-L96 WeakPolarHBondContact O-CB 3.43Å; R93-L96 PolarHBondContact O-N 3.4Å; L96-Q98 PolarHBondContact O-N 3.33Å; L96-I99 PolarHBondContact O-N 2.89Å; L96-T100 HydrophobicContact CD1-CG2 3.74Å; L96-T100 WeakPolarHBondContact O-CB 3.5Å; L96-T100 VanDerWaalsContact O-CG2 3.3Å; L96-T100 WeakPolarHBondContact O-CG2 3.3Å; L96-T100 PolarHBondContact O-N 3.23Å; L96-T100 PolarHBondContact O-OG1 3.23Å; L96-A196 HydrophobicContact CD1-CB 4.24Å; L96-A196 VanDerWaalsContact CD1-O 3.31Å; L96-A196 WeakPolarHBondContact CD1-O 3.4Å; L96-A200 HydrophobicContact CD1-CB 3.92Å; L96-V201 HydrophobicContact CD1-CB 4.17Å; L96-V201 HydrophobicContact CD2-CB 4.34Å; L96-V201 HydrophobicContact CD2-CG2 4.28Å; L96-A204 HydrophobicContact CB-CB 3.83Å; L96-A341 HydrophobicContact CD1-CB 4.23Å; L96-A341 HydrophobicContact CD2-CB 4.05Å; L96-A341 HydrophobicContact CG-CB 3.79Å; L96-I344 HydrophobicContact CD1-CD1 4.43Å; L96-I344 HydrophobicContact CD2-CB 4.46Å; L96-I344 HydrophobicContact CD2-CD1 3.91Å; L96-I349 HydrophobicContact CD2-CD1 3.94Å
97	E	98.4	Very high	97.7	Very high	91 Å²	91	40.3 Å²	40.3	43%	0.425	20%	0.204	S	C	.	.	H	α-helix	trans	-62.6	-41.3	178.8	-72.4	172.5	174.9	0	0	112	R93 R94 H95 T100 S101 A341	R93-E97 WeakPolarHBondContact CD-OE1 3.49Å; R93-E97 WeakPolarHBondContact O-CG 3.28Å; R93-E97 PolarHBondContact O-N 3.32Å; R94-E97 PolarHBondContact O-N 3.13Å; H95-E97 PolarHBondContact O-N 3.27Å; E97-T100 PolarHBondContact O-OG1 3.25Å; E97-S101 VanDerWaalsContact O-CB 3.27Å; E97-S101 WeakPolarHBondContact O-CB 3.44Å; E97-S101 PolarHBondContact O-N 3.44Å; E97-A341 HydrophobicContact CG-CB 4.32Å
98	Q	98.3	Very high	97.6	Very high	99 Å²	99	40.6 Å²	40.6	46%	0.463	21%	0.207	S	C	.	.	H	α-helix	trans	-66.9	-48.4	177.1	-68.2	-55.3	-52.4	0	0	112.1	R94 H95 L96 T100 S101 Y119	R94-Q98 VanDerWaalsContact O-CG 3.3Å; R94-Q98 WeakPolarHBondContact O-CG 3.26Å; R94-Q98 PolarHBondContact O-N 3.14Å; H95-Q98 PolarHBondContact O-N 3.31Å; L96-Q98 PolarHBondContact O-N 3.33Å; Q98-T100 VanDerWaalsContact C-N 3.3Å; Q98-T100 PolarHBondContact O-N 2.99Å; Q98-S101 PolarHBondContact O-N 3.39Å; Q98-S101 PolarHBondContact O-OG 2.93Å; Q98-Y119 HydrophobicContact CB-CD2 4.4Å; Q98-Y119 HydrophobicContact CB-CE1 3.95Å; Q98-Y119 HydrophobicContact CB-CE2 3.75Å; Q98-Y119 VanDerWaalsContact CB-CZ 3.46Å; Q98-Y119 WeakPolarHBondContact CB-OH 3.4Å; Q98-Y119 HydrophobicContact CG-CE2 4Å
99	I	98.4	Very high	97.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-44.2	178.9	-66.5	164.6	0	0	0	110.2	H95 L96 S101 V102 R105 T116 Y119 L120 A200 C203	H95-I99 VanDerWaalsContact O-CG1 3.28Å; H95-I99 WeakPolarHBondContact O-CG1 3.35Å; H95-I99 PolarHBondContact O-N 2.81Å; L96-I99 PolarHBondContact O-N 2.89Å; I99-S101 VanDerWaalsContact C-N 3.35Å; I99-S101 PolarHBondContact O-N 2.75Å; I99-V102 VanDerWaalsContact O-CG2 3.26Å; I99-V102 WeakPolarHBondContact O-CG2 3.4Å; I99-R105 PolarHBondContact O-NH1 3.4Å; I99-T116 HydrophobicContact CG2-CG2 4.22Å; I99-Y119 HydrophobicContact CD1-CE1 4.37Å; I99-Y119 HydrophobicContact CG1-CD1 3.84Å; I99-Y119 HydrophobicContact CG1-CE1 3.77Å; I99-L120 HydrophobicContact CD1-CD2 4.11Å; I99-A200 HydrophobicContact CB-CB 4.28Å; I99-A200 HydrophobicContact CG2-CB 3.65Å; I99-C203 HydrophobicContact CD1-CB 4.41Å
100	T	97.7	Very high	97.6	Very high	20 Å²	20	43 Å²	43	12%	0.123	22%	0.216	C	C	.	.	H	α-helix	trans	-75.5	-22.3	-178.4	55.2	0	0	0	0	113.7	L96 E97 Q98 V102 G103 A196 A200	L96-T100 HydrophobicContact CD1-CG2 3.74Å; L96-T100 WeakPolarHBondContact O-CB 3.5Å; L96-T100 VanDerWaalsContact O-CG2 3.3Å; L96-T100 WeakPolarHBondContact O-CG2 3.3Å; L96-T100 PolarHBondContact O-N 3.23Å; L96-T100 PolarHBondContact O-OG1 3.23Å; E97-T100 PolarHBondContact O-OG1 3.25Å; Q98-T100 VanDerWaalsContact C-N 3.3Å; Q98-T100 PolarHBondContact O-N 2.99Å; T100-V102 PolarHBondContact O-N 3.22Å; T100-G103 PolarHBondContact O-N 3.44Å; T100-G103 VanDerWaalsContact O-N 3.16Å; T100-A196 HydrophobicContact CG2-CB 3.69Å; T100-A200 HydrophobicContact CG2-CB 3.85Å
101	S	97.3	Very high	97.6	Very high	83 Å²	83	40.4 Å²	40.4	58%	0.58	20%	0.203	S	C	*	.	H	α-helix	trans	-65.2	-22.3	-179.6	73.9	0	0	0	0	114.1	E97 Q98 I99 G103	E97-S101 VanDerWaalsContact O-CB 3.27Å; E97-S101 WeakPolarHBondContact O-CB 3.44Å; E97-S101 PolarHBondContact O-N 3.44Å; Q98-S101 PolarHBondContact O-N 3.39Å; Q98-S101 PolarHBondContact O-OG 2.93Å; I99-S101 VanDerWaalsContact C-N 3.35Å; I99-S101 PolarHBondContact O-N 2.75Å; S101-G103 PolarHBondContact O-N 3.33Å
102	V	96.3	Very high	97.6	Very high	40 Å²	40	37.1 Å²	37.1	24%	0.242	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.7	177.1	-48	0	0	0	0	112.4	I99 T100 R105 E111 L115	I99-V102 VanDerWaalsContact O-CG2 3.26Å; I99-V102 WeakPolarHBondContact O-CG2 3.4Å; T100-V102 PolarHBondContact O-N 3.22Å; V102-R105 HydrophobicContact CG2-CG 3.67Å; V102-E111 HydrophobicContact CG2-CB 4.18Å; V102-E111 WeakPolarHBondContact O-CG 3.43Å; V102-L115 HydrophobicContact CB-CD1 4.45Å; V102-L115 HydrophobicContact CG1-CB 4.18Å
103	G	95.8	Very high	97.5	Very high	19 Å²	19	37.2 Å²	37.2	20%	0.196	19%	0.192	C	C	.	.			trans	92.5	-167.3	-175.1	0	0	0	0	0	113.2	T100 S101 R105	T100-G103 PolarHBondContact O-N 3.44Å; T100-G103 VanDerWaalsContact O-N 3.16Å; S101-G103 PolarHBondContact O-N 3.33Å; G103-R105 WeakPolarHBondContact O-CG 3.34Å; G103-R105 PolarHBondContact O-NH1 2.88Å
104	P	97.4	Very high	97.5	Very high	42 Å²	42	39.2 Å²	39.2	27%	0.273	21%	0.206	S	C	.	.			trans	-56.7	138.5	175.2	-24.1	34.3	0	0	0	112	P106 E111 S193	P104-P106 VanDerWaalsContact O-CD 3.32Å; P104-P106 WeakPolarHBondContact O-CD 3.31Å; P104-E111 WeakPolarHBondContact O-CB 3.41Å; P104-S193 VanDerWaalsContact CA-O 3.31Å; P104-S193 WeakPolarHBondContact CA-O 3.33Å; P104-S193 WeakPolarHBondContact CB-O 3.07Å; P104-S193 WeakPolarHBondContact CG-O 3.21Å
105	R	98.1	Very high	97.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.			trans	-120.3	56.7	-175.7	-60.2	164.2	-60.5	-77.5	6	111.7	I99 V102 G103 E111 N112 T116 F187 D188 T189 P194 G195	I99-R105 PolarHBondContact O-NH1 3.4Å; V102-R105 HydrophobicContact CG2-CG 3.67Å; G103-R105 WeakPolarHBondContact O-CG 3.34Å; G103-R105 PolarHBondContact O-NH1 2.88Å; R105-E111 HydrophobicContact CG-CB 4.07Å; R105-N112 HydrophobicContact CB-CB 4.02Å; R105-N112 PolarHBondContact O-OD1 3.39Å; R105-T116 WeakPolarHBondContact CD-OG1 3.46Å; R105-F187 WeakPolarHBondContact CD-O 3.44Å; R105-F187 PolarHBondContact NE-O 3.45Å; R105-D188 VanDerWaalsContact O-CA 3.32Å; R105-D188 WeakPolarHBondContact O-CA 3.4Å; R105-D188 WeakPolarHBondContact O-CB 3.1Å; R105-T189 HydrophobicContact CB-CG2 4.21Å; R105-T189 PolarHBondContact N-OG1 3.12Å; R105-T189 PolarHBondContact O-N 3.35Å; R105-P194 VanDerWaalsContact CZ-O 3.3Å; R105-P194 PolarHBondContact NH1-O 3.24Å; R105-P194 PolarHBondContact NH2-O 2.88Å; R105-G195 PolarHBondContact NH2-O 3.04Å
106	P	97	Very high	97.5	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.058	20%	0.196	C	C	.	.			trans	-63.8	149.6	171.7	29.2	-34.6	0	0	0	110.8	P104 S109 N112 T189 F854 F855	P104-P106 VanDerWaalsContact O-CD 3.32Å; P104-P106 WeakPolarHBondContact O-CD 3.31Å; P106-S109 WeakPolarHBondContact O-CB 3.46Å; P106-S109 PolarHBondContact O-N 2.87Å; P106-S109 VanDerWaalsContact O-N 3.1Å; P106-S109 PolarHBondContact O-OG 2.87Å; P106-N112 WeakPolarHBondContact O-CB 3.5Å; P106-T189 WeakPolarHBondContact CA-O 3.4Å; P106-F854 HydrophobicContact CB-CB 4.45Å; P106-F854 HydrophobicContact CG-CB 4.47Å; P106-F855 HydrophobicContact CB-CD1 4.28Å; P106-F855 HydrophobicContact CG-CB 4.24Å; P106-F855 HydrophobicContact CG-CD1 3.62Å; P106-F855 HydrophobicContact CG-CE1 4.42Å; P106-F855 HydrophobicContact CG-CG 4.32Å
107	V	97.3	Very high	97.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	140.7	-177.1	-176.6	0	0	0	0	112.3	S109 I164 D188 A231 N234 S779 H780 F855	V107-S109 PolarHBondContact O-N 2.89Å; V107-I164 HydrophobicContact CG1-CG2 3.91Å; V107-D188 HydrophobicContact CG2-CB 4.4Å; V107-A231 HydrophobicContact CG1-CB 4.28Å; V107-A231 HydrophobicContact CG2-CB 3.58Å; V107-N234 VanDerWaalsContact CB-ND2 3.3Å; V107-N234 WeakPolarHBondContact CB-ND2 3.14Å; V107-N234 HydrophobicContact CG2-CB 4.32Å; V107-N234 WeakPolarHBondContact CG2-ND2 3.41Å; V107-S779 PolarHBondContact O-OG 3.48Å; V107-H780 PolarHBondContact O-CE1 3.44Å; V107-F855 VanDerWaalsContact O-CE1 3.29Å; V107-F855 WeakPolarHBondContact O-CE1 3.43Å
108	G	95.8	Very high	97.4	Very high	8 Å²	8	33.1 Å²	33.1	8%	0.082	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-8.1	-177.2	0	0	0	0	0	115.2	E113 H817 F855	G108-E113 PolarHBondContact N-OE1 3.45Å; G108-E113 VanDerWaalsContact N-OE1 3.11Å; G108-H817 WeakPolarHBondContact CA-O 3.32Å; G108-F855 WeakPolarHBondContact O-CZ 3.44Å
109	S	96.7	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-72.4	156.8	172.6	67.7	0	0	0	0	112.2	P106 V107 E111 N112 E113	P106-S109 WeakPolarHBondContact O-CB 3.46Å; P106-S109 PolarHBondContact O-N 2.87Å; P106-S109 VanDerWaalsContact O-N 3.1Å; P106-S109 PolarHBondContact O-OG 2.87Å; V107-S109 PolarHBondContact O-N 2.89Å; S109-E111 WeakPolarHBondContact CB-OE2 3.29Å; S109-E111 PolarHBondContact O-N 3.27Å; S109-N112 PolarHBondContact O-N 3.41Å; S109-N112 WeakPolarHBondContact OG-CB 3.49Å; S109-N112 PolarHBondContact OG-N 3.42Å; S109-N112 VanDerWaalsContact OG-N 3.09Å; S109-E113 WeakPolarHBondContact O-CB 3.17Å; S109-E113 VanDerWaalsContact O-CG 3.32Å; S109-E113 WeakPolarHBondContact O-CG 3.39Å; S109-E113 PolarHBondContact O-N 2.83Å
110	Q	96.3	Very high	97.5	Very high	119 Å²	119	30 Å²	30	56%	0.556	18%	0.181	S	C	*	.	H	α-helix	trans	-63.1	-35.7	174	-175.7	176.1	0.5	0	0	111.1	V114 L115	Q110-V114 HydrophobicContact CG-CB 4.14Å; Q110-V114 HydrophobicContact CG-CG2 4.27Å; Q110-V114 WeakPolarHBondContact O-CA 3.36Å; Q110-V114 WeakPolarHBondContact O-CB 3.45Å; Q110-V114 PolarHBondContact O-N 2.77Å; Q110-V114 VanDerWaalsContact O-N 3.08Å; Q110-L115 HydrophobicContact CG-CG 4.41Å; Q110-L115 PolarHBondContact O-N 2.88Å
111	E	97.8	Very high	97.5	Very high	62 Å²	62	31.2 Å²	31.2	29%	0.29	19%	0.186	S	C	.	.	I	π-helix	trans	-59.9	-45.8	176.5	-66.5	80.3	178.5	0	0	111.6	V102 P104 R105 S109 L115 T116	V102-E111 HydrophobicContact CG2-CB 4.18Å; V102-E111 WeakPolarHBondContact O-CG 3.43Å; P104-E111 WeakPolarHBondContact O-CB 3.41Å; R105-E111 HydrophobicContact CG-CB 4.07Å; S109-E111 WeakPolarHBondContact CB-OE2 3.29Å; S109-E111 PolarHBondContact O-N 3.27Å; E111-L115 HydrophobicContact CG-CD1 4.5Å; E111-T116 VanDerWaalsContact O-CB 3.31Å; E111-T116 WeakPolarHBondContact O-CB 3.32Å; E111-T116 PolarHBondContact O-N 3.26Å; E111-T116 PolarHBondContact O-OG1 3.13Å
112	N	97.9	Very high	97.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-73	-57.6	177.6	-165.2	59.2	0	0	0	112	R105 P106 S109 F187 D188 G230	R105-N112 HydrophobicContact CB-CB 4.02Å; R105-N112 PolarHBondContact O-OD1 3.39Å; P106-N112 WeakPolarHBondContact O-CB 3.5Å; S109-N112 PolarHBondContact O-N 3.41Å; S109-N112 WeakPolarHBondContact OG-CB 3.49Å; S109-N112 PolarHBondContact OG-N 3.42Å; S109-N112 VanDerWaalsContact OG-N 3.09Å; N112-F187 WeakPolarHBondContact O-CE2 3.45Å; N112-F187 VanDerWaalsContact OD1-CD2 3.27Å; N112-F187 WeakPolarHBondContact OD1-CD2 3.25Å; N112-F187 WeakPolarHBondContact OD1-CE2 3.1Å; N112-D188 WeakPolarHBondContact OD1-CA 3.26Å; N112-D188 WeakPolarHBondContact OD1-CB 3.43Å; N112-G230 PolarHBondContact ND2-O 2.94Å
113	E	97.1	Very high	97.7	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	18%	0.181	C	C	.	.	I	π-helix	trans	-82.4	-21.3	-163.1	-59.5	-66	143.8	0	0	114.5	G108 S109 R144 S165 L819	G108-E113 PolarHBondContact N-OE1 3.45Å; G108-E113 VanDerWaalsContact N-OE1 3.11Å; S109-E113 WeakPolarHBondContact O-CB 3.17Å; S109-E113 VanDerWaalsContact O-CG 3.32Å; S109-E113 WeakPolarHBondContact O-CG 3.39Å; S109-E113 PolarHBondContact O-N 2.83Å; E113-R144 PolarHBondContact O-NH2 2.77Å; E113-R144 IonicContact OE2-CZ 2.89Å; E113-R144 IonicContact OE2-NH1 3.33Å; E113-R144 PolarHBondContact OE2-NH1 2.84Å; E113-R144 IonicContact OE2-NH2 3.46Å; E113-S165 WeakPolarHBondContact OE2-CB 3.49Å; E113-S165 PolarHBondContact OE2-OG 3.17Å; E113-L819 HydrophobicContact CB-CD1 3.72Å; E113-L819 HydrophobicContact CB-CD2 3.76Å; E113-L819 HydrophobicContact CB-CG 3.48Å; E113-L819 VanDerWaalsContact CB-CG 3.48Å; E113-L819 HydrophobicContact CG-CD2 4.11Å; E113-L819 HydrophobicContact CG-CG 3.89Å
114	V	97.5	Very high	97.9	Very high	65 Å²	65	31.8 Å²	31.8	39%	0.394	17%	0.172	S	C	.	.	I	π-helix	trans	-120.7	-59.8	-173.9	-174.5	0	0	0	0	111.4	Q110 G118 L819	Q110-V114 HydrophobicContact CG-CB 4.14Å; Q110-V114 HydrophobicContact CG-CG2 4.27Å; Q110-V114 WeakPolarHBondContact O-CA 3.36Å; Q110-V114 WeakPolarHBondContact O-CB 3.45Å; Q110-V114 PolarHBondContact O-N 2.77Å; Q110-V114 VanDerWaalsContact O-N 3.08Å; V114-G118 WeakPolarHBondContact O-CA 3.42Å; V114-G118 PolarHBondContact O-N 3.1Å; V114-L819 HydrophobicContact CG2-CD1 3.48Å; V114-L819 VanDerWaalsContact CG2-CD1 3.48Å; V114-L819 HydrophobicContact CG2-CD2 4.19Å; V114-L819 HydrophobicContact CG2-CG 4.43Å
115	L	98.4	Very high	97.9	Very high	78 Å²	78	32.9 Å²	32.9	41%	0.408	17%	0.173	S	C	.	.	I	π-helix	trans	-70	-48.9	-170.7	-60.5	-178.4	0	0	0	111.5	V102 Q110 E111 G118 Y119	V102-L115 HydrophobicContact CB-CD1 4.45Å; V102-L115 HydrophobicContact CG1-CB 4.18Å; Q110-L115 HydrophobicContact CG-CG 4.41Å; Q110-L115 PolarHBondContact O-N 2.88Å; E111-L115 HydrophobicContact CG-CD1 4.5Å; L115-G118 PolarHBondContact O-N 3.42Å; L115-Y119 WeakPolarHBondContact O-CB 3.27Å; L115-Y119 PolarHBondContact O-N 2.87Å
116	T	98.5	Very high	97.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.19	C	C	.	.	I	π-helix	trans	-69.2	-46.7	179.9	-55.2	0	0	0	0	111.2	I99 R105 E111 G118 Y119 L120 F187	I99-T116 HydrophobicContact CG2-CG2 4.22Å; R105-T116 WeakPolarHBondContact CD-OG1 3.46Å; E111-T116 VanDerWaalsContact O-CB 3.31Å; E111-T116 WeakPolarHBondContact O-CB 3.32Å; E111-T116 PolarHBondContact O-N 3.26Å; E111-T116 PolarHBondContact O-OG1 3.13Å; T116-G118 VanDerWaalsContact C-N 3.32Å; T116-G118 PolarHBondContact O-N 3.37Å; T116-Y119 PolarHBondContact O-N 3.17Å; T116-L120 HydrophobicContact CG2-CD1 4.14Å; T116-L120 HydrophobicContact CG2-CG 4.4Å; T116-L120 WeakPolarHBondContact O-CG 3.48Å; T116-L120 PolarHBondContact O-N 3.4Å; T116-F187 HydrophobicContact CG2-CB 3.99Å; T116-F187 HydrophobicContact CG2-CD2 3.63Å; T116-F187 HydrophobicContact CG2-CE2 4.37Å; T116-F187 HydrophobicContact CG2-CG 3.97Å
117	V	98.4	Very high	98	Very high	10 Å²	10	36.2 Å²	36.2	6%	0.061	19%	0.19	C	C	.	.	H	α-helix	trans	-56	-46.7	174.4	167.8	0	0	0	0	111.2	L120 L121 I167 F187	V117-L120 PolarHBondContact O-N 3Å; V117-L121 HydrophobicContact CG1-CD1 3.8Å; V117-L121 HydrophobicContact CG1-CG 4.38Å; V117-L121 WeakPolarHBondContact O-CB 3.39Å; V117-L121 VanDerWaalsContact O-CG 3.25Å; V117-L121 WeakPolarHBondContact O-CG 3.36Å; V117-L121 PolarHBondContact O-N 2.88Å; V117-I167 HydrophobicContact CB-CD1 4.23Å; V117-I167 HydrophobicContact CG1-CD1 4.05Å; V117-I167 HydrophobicContact CG1-CG1 4.42Å; V117-I167 HydrophobicContact CG2-CD1 4.18Å; V117-F187 HydrophobicContact CG2-CE2 4.2Å; V117-F187 HydrophobicContact CG2-CZ 3.87Å
118	G	98.5	Very high	98	Very high	35 Å²	35	41 Å²	41	36%	0.361	21%	0.208	S	C	.	.	H	α-helix	trans	-60	-47.1	178.6	0	0	0	0	0	112.6	V114 L115 T116 L121 E122	V114-G118 WeakPolarHBondContact O-CA 3.42Å; V114-G118 PolarHBondContact O-N 3.1Å; L115-G118 PolarHBondContact O-N 3.42Å; T116-G118 VanDerWaalsContact C-N 3.32Å; T116-G118 PolarHBondContact O-N 3.37Å; G118-L121 PolarHBondContact O-N 3.47Å; G118-E122 WeakPolarHBondContact O-CB 3.34Å; G118-E122 PolarHBondContact O-N 2.78Å
119	Y	98.8	Very high	98.1	Very high	37 Å²	37	44.1 Å²	44.1	15%	0.145	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-47.8	176.7	174.8	-104.6	0	0	0	112.3	H95 Q98 I99 L115 T116 L121 E122 Q123	H95-Y119 WeakPolarHBondContact CA-OH 3.48Å; H95-Y119 AromaticContact ND1-CZ 3.82Å; H95-Y119 PolarHBondContact ND1-OH 3.38Å; Q98-Y119 HydrophobicContact CB-CD2 4.4Å; Q98-Y119 HydrophobicContact CB-CE1 3.95Å; Q98-Y119 HydrophobicContact CB-CE2 3.75Å; Q98-Y119 VanDerWaalsContact CB-CZ 3.46Å; Q98-Y119 WeakPolarHBondContact CB-OH 3.4Å; Q98-Y119 HydrophobicContact CG-CE2 4Å; I99-Y119 HydrophobicContact CD1-CE1 4.37Å; I99-Y119 HydrophobicContact CG1-CD1 3.84Å; I99-Y119 HydrophobicContact CG1-CE1 3.77Å; L115-Y119 WeakPolarHBondContact O-CB 3.27Å; L115-Y119 PolarHBondContact O-N 2.87Å; T116-Y119 PolarHBondContact O-N 3.17Å; Y119-L121 PolarHBondContact O-N 3.19Å; Y119-E122 WeakPolarHBondContact O-CB 3.34Å; Y119-E122 PolarHBondContact O-N 3.47Å; Y119-Q123 HydrophobicContact CD1-CG 4.46Å; Y119-Q123 HydrophobicContact CD2-CG 4.26Å; Y119-Q123 HydrophobicContact CE1-CG 4Å; Y119-Q123 HydrophobicContact CE2-CG 3.77Å; Y119-Q123 WeakPolarHBondContact O-CG 3.42Å; Y119-Q123 PolarHBondContact O-N 2.94Å
120	L	98.8	Very high	98.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-47.2	179.1	-70.2	176.4	0	0	0	111	I99 T116 V117 E122 Q123 I124 I167 F187 L207 F228	I99-L120 HydrophobicContact CD1-CD2 4.11Å; T116-L120 HydrophobicContact CG2-CD1 4.14Å; T116-L120 HydrophobicContact CG2-CG 4.4Å; T116-L120 WeakPolarHBondContact O-CG 3.48Å; T116-L120 PolarHBondContact O-N 3.4Å; V117-L120 PolarHBondContact O-N 3Å; L120-E122 PolarHBondContact O-N 2.93Å; L120-Q123 PolarHBondContact O-N 3.34Å; L120-I124 HydrophobicContact CB-CD1 4.45Å; L120-I124 WeakPolarHBondContact O-CB 3.19Å; L120-I124 VanDerWaalsContact O-CD1 3.25Å; L120-I124 WeakPolarHBondContact O-CD1 3.05Å; L120-I124 WeakPolarHBondContact O-CG1 3.43Å; L120-I124 PolarHBondContact O-N 3.33Å; L120-I167 HydrophobicContact CB-CD1 3.68Å; L120-I167 HydrophobicContact CD1-CD1 3.79Å; L120-I167 HydrophobicContact CG-CD1 4.38Å; L120-F187 HydrophobicContact CD1-CB 4.41Å; L120-F187 HydrophobicContact CD1-CD1 3.93Å; L120-F187 HydrophobicContact CD1-CE1 4.42Å; L120-F187 HydrophobicContact CD1-CG 4.19Å; L120-L207 HydrophobicContact CD2-CD1 3.82Å; L120-L207 HydrophobicContact CD2-CG 4.39Å; L120-F228 HydrophobicContact CD1-CB 4.07Å; L120-F228 HydrophobicContact CD1-CD1 4.14Å; L120-F228 HydrophobicContact CD1-CG 4.22Å; L120-F228 HydrophobicContact CD2-CD1 4.18Å; L120-F228 HydrophobicContact CD2-CE1 4.28Å
121	L	98.8	Very high	98.1	Very high	45 Å²	45	47.4 Å²	47.4	24%	0.236	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-44	177.6	-71.1	173.5	0	0	0	112	V117 G118 Y119 Q123 I124 E125 V140 V142 I167	V117-L121 HydrophobicContact CG1-CD1 3.8Å; V117-L121 HydrophobicContact CG1-CG 4.38Å; V117-L121 WeakPolarHBondContact O-CB 3.39Å; V117-L121 VanDerWaalsContact O-CG 3.25Å; V117-L121 WeakPolarHBondContact O-CG 3.36Å; V117-L121 PolarHBondContact O-N 2.88Å; G118-L121 PolarHBondContact O-N 3.47Å; Y119-L121 PolarHBondContact O-N 3.19Å; L121-Q123 VanDerWaalsContact C-N 3.35Å; L121-Q123 PolarHBondContact O-N 3.11Å; L121-I124 PolarHBondContact O-N 2.53Å; L121-E125 VanDerWaalsContact O-CB 3.31Å; L121-E125 WeakPolarHBondContact O-CB 3.27Å; L121-E125 VanDerWaalsContact O-CG 3.23Å; L121-E125 WeakPolarHBondContact O-CG 3.4Å; L121-E125 PolarHBondContact O-N 3.47Å; L121-V140 HydrophobicContact CD2-CG1 3.71Å; L121-V142 HydrophobicContact CD1-CG2 3.9Å; L121-V142 HydrophobicContact CD2-CG2 3.81Å; L121-V142 HydrophobicContact CG-CG2 4.42Å; L121-I167 HydrophobicContact CD2-CD1 4.49Å; L121-I167 HydrophobicContact CD2-CG1 4.47Å; L121-I167 HydrophobicContact CD2-CG2 3.95Å; L121-I167 HydrophobicContact CG-CD1 4.27Å
122	E	98.6	Very high	97.9	Very high	117 Å²	117	47.3 Å²	47.3	55%	0.547	25%	0.251	S	S	.	.	H	α-helix	trans	-56.2	-48.8	175.4	-175.9	-174	173.8	0	0	111.3	G118 Y119 L120 I124 E125 D126	G118-E122 WeakPolarHBondContact O-CB 3.34Å; G118-E122 PolarHBondContact O-N 2.78Å; Y119-E122 WeakPolarHBondContact O-CB 3.34Å; Y119-E122 PolarHBondContact O-N 3.47Å; L120-E122 PolarHBondContact O-N 2.93Å; E122-I124 PolarHBondContact O-N 3.31Å; E122-E125 PolarHBondContact O-N 2.83Å; E122-D126 PolarHBondContact O-N 2.8Å
123	Q	98.7	Very high	97.7	Very high	37 Å²	37	52.1 Å²	52.1	17%	0.173	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-38.6	-179.9	-61.3	-48.1	-68	0	0	112.6	H95 Y119 L120 L121 D126 I127 L207	H95-Q123 PolarHBondContact CE1-OE1 3.03Å; Y119-Q123 HydrophobicContact CD1-CG 4.46Å; Y119-Q123 HydrophobicContact CD2-CG 4.26Å; Y119-Q123 HydrophobicContact CE1-CG 4Å; Y119-Q123 HydrophobicContact CE2-CG 3.77Å; Y119-Q123 WeakPolarHBondContact O-CG 3.42Å; Y119-Q123 PolarHBondContact O-N 2.94Å; L120-Q123 PolarHBondContact O-N 3.34Å; L121-Q123 VanDerWaalsContact C-N 3.35Å; L121-Q123 PolarHBondContact O-N 3.11Å; Q123-D126 WeakPolarHBondContact O-CB 3.13Å; Q123-D126 PolarHBondContact O-N 3.45Å; Q123-I127 VanDerWaalsContact O-CG1 3.31Å; Q123-I127 WeakPolarHBondContact O-CG1 3.48Å; Q123-I127 PolarHBondContact O-N 2.75Å; Q123-L207 HydrophobicContact CB-CD1 4.39Å; Q123-L207 HydrophobicContact CB-CD2 4.36Å
124	I	98.7	Very high	97.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.8	-40.8	177.1	-67.2	156.6	0	0	0	110.8	L120 L121 E122 I127 R128 V138 V140 I167 V169 L207 L210 F228	L120-I124 HydrophobicContact CB-CD1 4.45Å; L120-I124 WeakPolarHBondContact O-CB 3.19Å; L120-I124 VanDerWaalsContact O-CD1 3.25Å; L120-I124 WeakPolarHBondContact O-CD1 3.05Å; L120-I124 WeakPolarHBondContact O-CG1 3.43Å; L120-I124 PolarHBondContact O-N 3.33Å; L121-I124 PolarHBondContact O-N 2.53Å; E122-I124 PolarHBondContact O-N 3.31Å; I124-I127 PolarHBondContact O-N 2.91Å; I124-R128 WeakPolarHBondContact O-CB 3.39Å; I124-R128 PolarHBondContact O-N 3.23Å; I124-V138 HydrophobicContact CG2-CG1 4.43Å; I124-V140 HydrophobicContact CG2-CG2 3.45Å; I124-V140 VanDerWaalsContact CG2-CG2 3.45Å; I124-I167 HydrophobicContact CD1-CG2 3.85Å; I124-V169 HydrophobicContact CD1-CG2 3.46Å; I124-V169 VanDerWaalsContact CD1-CG2 3.46Å; I124-V169 HydrophobicContact CG1-CG2 4.02Å; I124-V169 HydrophobicContact CG2-CG1 3.92Å; I124-V169 HydrophobicContact CG2-CG2 3.94Å; I124-L207 HydrophobicContact CG1-CD2 3.88Å; I124-L210 HydrophobicContact CG1-CD2 4.33Å; I124-F228 HydrophobicContact CD1-CD2 4.43Å; I124-F228 HydrophobicContact CD1-CE2 4.13Å
125	E	98.4	Very high	97.6	Very high	64 Å²	64	51.7 Å²	51.7	30%	0.299	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-40.7	176.6	-76.5	-61.5	155	0	0	112.1	L121 E122 I127 R128 A129	L121-E125 VanDerWaalsContact O-CB 3.31Å; L121-E125 WeakPolarHBondContact O-CB 3.27Å; L121-E125 VanDerWaalsContact O-CG 3.23Å; L121-E125 WeakPolarHBondContact O-CG 3.4Å; L121-E125 PolarHBondContact O-N 3.47Å; E122-E125 PolarHBondContact O-N 2.83Å; E125-I127 PolarHBondContact O-N 2.7Å; E125-R128 WeakPolarHBondContact O-CB 3.36Å; E125-R128 PolarHBondContact O-N 2.74Å; E125-R128 IonicContact OE1-CZ 2.94Å; E125-R128 IonicContact OE1-NE 3.64Å; E125-R128 IonicContact OE1-NH1 2.77Å; E125-R128 PolarHBondContact OE1-NH1 3.11Å; E125-R128 IonicContact OE1-NH2 3.07Å; E125-R128 PolarHBondContact OE1-NH2 2.7Å; E125-R128 VanDerWaalsContact OE1-NH2 3.07Å; E125-R128 IonicContact OE2-CZ 2.8Å; E125-R128 IonicContact OE2-NE 2.99Å; E125-R128 PolarHBondContact OE2-NE 3.02Å; E125-R128 IonicContact OE2-NH1 3.54Å; E125-R128 IonicContact OE2-NH2 2.58Å; E125-R128 PolarHBondContact OE2-NH2 2.82Å; E125-A129 WeakPolarHBondContact O-CB 3.35Å; E125-A129 PolarHBondContact O-N 3.28Å
126	D	98.3	Very high	97.6	Very high	68 Å²	68	48.4 Å²	48.4	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-59.5	-44.1	171.9	-101.6	21.9	0	0	0	112.2	E122 Q123 A129 R130	E122-D126 PolarHBondContact O-N 2.8Å; Q123-D126 WeakPolarHBondContact O-CB 3.13Å; Q123-D126 PolarHBondContact O-N 3.45Å; D126-A129 PolarHBondContact O-N 3.22Å; D126-R130 WeakPolarHBondContact O-CB 3.49Å; D126-R130 VanDerWaalsContact O-CG 3.26Å; D126-R130 WeakPolarHBondContact O-CG 3.31Å; D126-R130 PolarHBondContact O-N 2.82Å; D126-R130 IonicContact OD2-NH2 3.9Å
127	I	98.3	Very high	97.5	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.056	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-46.8	174.7	-67.5	164.3	0	0	0	110.1	Q123 I124 E125 A129 R130 T131 L210 H211 A214	Q123-I127 VanDerWaalsContact O-CG1 3.31Å; Q123-I127 WeakPolarHBondContact O-CG1 3.48Å; Q123-I127 PolarHBondContact O-N 2.75Å; I124-I127 PolarHBondContact O-N 2.91Å; E125-I127 PolarHBondContact O-N 2.7Å; I127-A129 PolarHBondContact O-N 3.18Å; I127-R130 PolarHBondContact O-N 2.89Å; I127-T131 HydrophobicContact CG2-CG2 4.4Å; I127-T131 WeakPolarHBondContact O-CB 3.49Å; I127-T131 WeakPolarHBondContact O-CG2 3.36Å; I127-T131 PolarHBondContact O-N 2.82Å; I127-T131 PolarHBondContact O-OG1 2.78Å; I127-L210 HydrophobicContact CD1-CD2 4.19Å; I127-L210 HydrophobicContact CD1-CG 4.3Å; I127-L210 HydrophobicContact CG2-CG 4.35Å; I127-H211 HydrophobicContact CD1-CB 3.9Å; I127-H211 HydrophobicContact CG1-CB 4.02Å; I127-A214 HydrophobicContact CG2-CB 4.09Å
128	R	97.9	Very high	97.5	Very high	103 Å²	103	54 Å²	54	39%	0.389	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-45.6	178.9	-177.2	175.7	83.1	-175.1	7.6	111.6	I124 E125 A132 V138	I124-R128 WeakPolarHBondContact O-CB 3.39Å; I124-R128 PolarHBondContact O-N 3.23Å; E125-R128 WeakPolarHBondContact O-CB 3.36Å; E125-R128 PolarHBondContact O-N 2.74Å; E125-R128 IonicContact OE1-CZ 2.94Å; E125-R128 IonicContact OE1-NE 3.64Å; E125-R128 IonicContact OE1-NH1 2.77Å; E125-R128 PolarHBondContact OE1-NH1 3.11Å; E125-R128 IonicContact OE1-NH2 3.07Å; E125-R128 PolarHBondContact OE1-NH2 2.7Å; E125-R128 VanDerWaalsContact OE1-NH2 3.07Å; E125-R128 IonicContact OE2-CZ 2.8Å; E125-R128 IonicContact OE2-NE 2.99Å; E125-R128 PolarHBondContact OE2-NE 3.02Å; E125-R128 IonicContact OE2-NH1 3.54Å; E125-R128 IonicContact OE2-NH2 2.58Å; E125-R128 PolarHBondContact OE2-NH2 2.82Å; R128-A132 WeakPolarHBondContact O-CB 3.35Å; R128-A132 PolarHBondContact O-N 3.09Å; R128-A132 VanDerWaalsContact O-N 3.09Å; R128-V138 HydrophobicContact CB-CB 4.21Å; R128-V138 HydrophobicContact CB-CG1 4.37Å; R128-V138 WeakPolarHBondContact CD-O 3.32Å; R128-V138 HydrophobicContact CG-CB 4.08Å
129	A	97.7	Very high	97.5	Very high	73 Å²	73	54.6 Å²	54.6	60%	0.603	29%	0.294	S	S	*	.	H	α-helix	trans	-64.1	-45.5	179.8	0	0	0	0	0	112.1	E125 D126 I127 T131	E125-A129 WeakPolarHBondContact O-CB 3.35Å; E125-A129 PolarHBondContact O-N 3.28Å; D126-A129 PolarHBondContact O-N 3.22Å; I127-A129 PolarHBondContact O-N 3.18Å; A129-T131 VanDerWaalsContact C-N 3.33Å; A129-T131 PolarHBondContact O-N 2.94Å
130	R	96.6	Very high	97.5	Very high	178 Å²	178	54.4 Å²	54.4	67%	0.672	30%	0.297	S	S	*	.	H	α-helix	trans	-68.6	-30.6	-178.9	-69.8	172.2	-169.9	-117.2	4.7	113.2	D126 I127	D126-R130 WeakPolarHBondContact O-CB 3.49Å; D126-R130 VanDerWaalsContact O-CG 3.26Å; D126-R130 WeakPolarHBondContact O-CG 3.31Å; D126-R130 PolarHBondContact O-N 2.82Å; D126-R130 IonicContact OD2-NH2 3.9Å; I127-R130 PolarHBondContact O-N 2.89Å
131	T	95.8	Very high	97.5	Very high	10 Å²	10	57.5 Å²	57.5	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-100.8	0.9	-175	60.6	0	0	0	0	113.8	I127 A129 A133 G134 A214 N215	I127-T131 HydrophobicContact CG2-CG2 4.4Å; I127-T131 WeakPolarHBondContact O-CB 3.49Å; I127-T131 WeakPolarHBondContact O-CG2 3.36Å; I127-T131 PolarHBondContact O-N 2.82Å; I127-T131 PolarHBondContact O-OG1 2.78Å; A129-T131 VanDerWaalsContact C-N 3.33Å; A129-T131 PolarHBondContact O-N 2.94Å; T131-A133 PolarHBondContact O-N 2.61Å; T131-A133 VanDerWaalsContact O-N 3.1Å; T131-G134 WeakPolarHBondContact O-CA 3.18Å; T131-G134 PolarHBondContact O-N 3.1Å; T131-A214 HydrophobicContact CG2-CB 3.85Å; T131-N215 HydrophobicContact CG2-CB 4.14Å
132	A	94.1	Very high	97.4	Very high	59 Å²	59	58.1 Å²	58.1	49%	0.488	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-32.1	-175.9	0	0	0	0	0	114.6	R128 G134 K174	R128-A132 WeakPolarHBondContact O-CB 3.35Å; R128-A132 PolarHBondContact O-N 3.09Å; R128-A132 VanDerWaalsContact O-N 3.09Å; A132-G134 VanDerWaalsContact C-N 3.29Å; A132-G134 PolarHBondContact O-N 3.06Å; A132-K174 PolarHBondContact O-NZ 2.91Å
133	A	94.6	Very high	97.3	Very high	101 Å²	101	53.4 Å²	53.4	84%	0.835	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-20.1	177.1	0	0	0	0	0	113.2	T131	T131-A133 PolarHBondContact O-N 2.61Å; T131-A133 VanDerWaalsContact O-N 3.1Å
134	G	95.1	Very high	97.2	Very high	24 Å²	24	55.9 Å²	55.9	25%	0.247	31%	0.305	C	S	.	.	S	Bend	trans	-68.4	178.5	-179.5	0	0	0	0	0	113.8	T131 A132 H136 K174	T131-G134 WeakPolarHBondContact O-CA 3.18Å; T131-G134 PolarHBondContact O-N 3.1Å; A132-G134 VanDerWaalsContact C-N 3.29Å; A132-G134 PolarHBondContact O-N 3.06Å; G134-H136 VanDerWaalsContact C-N 3.26Å; G134-H136 PolarHBondContact O-N 3.35Å; G134-K174 WeakPolarHBondContact O-CE 3.43Å; G134-K174 PolarHBondContact O-NZ 2.82Å
135	P	96.7	Very high	97.1	Very high	35 Å²	35	56.1 Å²	56.1	23%	0.227	31%	0.306	C	S	.	.	S	Bend	trans	-81.1	-3.7	-176.9	33.8	-34.5	0	0	0	113.6	K174 Q216 P219	P135-K174 WeakPolarHBondContact O-CG 3.44Å; P135-K174 PolarHBondContact O-N 2.82Å; P135-Q216 VanDerWaalsContact CD-O 3.29Å; P135-Q216 WeakPolarHBondContact CD-O 3.09Å; P135-Q216 WeakPolarHBondContact CG-O 3.49Å; P135-P219 HydrophobicContact CB-CB 4.13Å; P135-P219 HydrophobicContact CG-CB 4.49Å
136	H	97.6	Very high	97	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.037	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	161.9	-178.4	-46	86.9	0	0	0	112.5	G134 L171 E172 K174 Q216 T218 L220	G134-H136 VanDerWaalsContact C-N 3.26Å; G134-H136 PolarHBondContact O-N 3.35Å; H136-L171 HydrophobicContact CB-CD1 3.67Å; H136-E172 CarbonylContact C-O 3.44Å; H136-E172 VanDerWaalsContact CA-O 3.26Å; H136-E172 WeakPolarHBondContact CA-O 3.32Å; H136-E172 WeakPolarHBondContact CB-O 3.12Å; H136-K174 WeakPolarHBondContact O-CE 3.45Å; H136-Q216 PolarHBondContact CE1-O 3.1Å; H136-Q216 VanDerWaalsContact CE1-O 3.23Å; H136-T218 PolarHBondContact CE1-O 3.23Å; H136-T218 VanDerWaalsContact CE1-O 3.25Å; H136-T218 PolarHBondContact NE2-O 2.95Å; H136-L220 PolarHBondContact NE2-N 3.04Å
137	R	97.6	Very high	96.9	Very high	116 Å²	116	53.2 Å²	53.2	44%	0.438	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.7	172.9	179.1	170.7	65.2	-160.1	-0.1	108.3	E172 K174	R137-E172 HydrophobicContact CB-CG 4.49Å; R137-E172 IonicContact CZ-OE1 3.9Å; R137-E172 PolarHBondContact N-O 3.04Å; R137-E172 IonicContact NE-OE1 3.23Å; R137-E172 PolarHBondContact NE-OE1 2.98Å; R137-E172 IonicContact NH2-OE1 3.05Å; R137-E172 PolarHBondContact NH2-OE1 2.91Å; R137-E172 PolarHBondContact O-N 3.47Å; R137-K174 HydrophobicContact CB-CG 4.42Å
138	V	98.4	Very high	96.7	Very high	14 Å²	14	54 Å²	54	9%	0.085	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.8	174	-177.9	0	0	0	0	108.4	I124 R128 V140 V169 K170 L171 A214	I124-V138 HydrophobicContact CG2-CG1 4.43Å; R128-V138 HydrophobicContact CB-CB 4.21Å; R128-V138 HydrophobicContact CB-CG1 4.37Å; R128-V138 WeakPolarHBondContact CD-O 3.32Å; R128-V138 HydrophobicContact CG-CB 4.08Å; V138-V140 HydrophobicContact CG1-CG2 4.49Å; V138-V169 HydrophobicContact CG1-CG1 3.59Å; V138-K170 CarbonylContact C-O 3.55Å; V138-K170 WeakPolarHBondContact CA-O 3.13Å; V138-L171 HydrophobicContact CG2-CD1 3.74Å; V138-A214 HydrophobicContact CG2-CB 4.39Å
139	T	98.3	Very high	96.6	Very high	46 Å²	46	49.2 Å²	49.2	28%	0.282	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.3	174.5	-57.1	0	0	0	0	108.8	V169 K170 W248	T139-V169 CarbonylContact O-C 3.47Å; T139-V169 WeakPolarHBondContact O-CA 3.37Å; T139-K170 PolarHBondContact N-O 2.6Å; T139-K170 PolarHBondContact O-N 3.09Å; T139-W248 HydrophobicContact CG2-CH2 3.96Å; T139-W248 HydrophobicContact CG2-CZ2 3.76Å
140	V	98.4	Very high	96.3	Very high	33 Å²	33	47 Å²	47	20%	0.2	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.8	-179.2	-172.6	0	0	0	0	108.9	L121 I124 V138 I167 A168 V169	L121-V140 HydrophobicContact CD2-CG1 3.71Å; I124-V140 HydrophobicContact CG2-CG2 3.45Å; I124-V140 VanDerWaalsContact CG2-CG2 3.45Å; V138-V140 HydrophobicContact CG1-CG2 4.49Å; V140-I167 HydrophobicContact CG1-CG2 4.08Å; V140-A168 WeakPolarHBondContact CA-O 3.39Å; V140-V169 HydrophobicContact CG1-CG2 4.47Å; V140-V169 HydrophobicContact CG2-CG1 4.36Å
141	D	98.3	Very high	95.9	Very high	66 Å²	66	38.8 Å²	38.8	35%	0.353	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.9	168.8	-169.6	56.2	0	0	0	109.8	A168 H246 W248	D141-A168 PolarHBondContact N-O 3.34Å; D141-A168 PolarHBondContact O-N 2.76Å; D141-H246 IonicContact OD2-CD2 3.37Å; D141-H246 IonicContact OD2-NE2 3.19Å; D141-H246 PolarHBondContact OD2-NE2 3.14Å; D141-W248 HydrophobicContact CB-CH2 3.9Å; D141-W248 HydrophobicContact CB-CZ2 4.47Å; D141-W248 HydrophobicContact CB-CZ3 4.36Å
142	V	97.9	Very high	95.2	Very high	58 Å²	58	44.4 Å²	44.4	35%	0.352	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	101.2	172.3	-179.3	0	0	0	0	107	L121 N166	L121-V142 HydrophobicContact CD1-CG2 3.9Å; L121-V142 HydrophobicContact CD2-CG2 3.81Å; L121-V142 HydrophobicContact CG-CG2 4.42Å; V142-N166 CarbonylContact C-O 3.6Å; V142-N166 WeakPolarHBondContact CA-O 3.12Å
143	Q	96.8	Very high	94.5	Very high	17 Å²	17	43.2 Å²	43.2	8%	0.079	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.9	-177.1	-168.5	-161.4	14	0	0	109.7	P145 N166 G241	Q143-P145 HydrophobicContact CG-CB 4.43Å; Q143-P145 HydrophobicContact CG-CG 4.35Å; Q143-N166 HydrophobicContact CB-CB 3.93Å; Q143-N166 PolarHBondContact N-O 2.88Å; Q143-N166 PolarHBondContact O-N 2.89Å; Q143-N166 PolarHBondContact OE1-ND2 3.47Å; Q143-G241 PolarHBondContact NE2-O 2.97Å
144	R	96.4	Very high	93.5	Very high	90 Å²	90	39.6 Å²	39.6	34%	0.34	22%	0.216	S	C	.	.			trans	-122.7	68.5	174	-62.7	-65.9	-172.3	139.7	-8.5	111.4	E113 R163 I164 S165	E113-R144 PolarHBondContact O-NH2 2.77Å; E113-R144 IonicContact OE2-CZ 2.89Å; E113-R144 IonicContact OE2-NH1 3.33Å; E113-R144 PolarHBondContact OE2-NH1 2.84Å; E113-R144 IonicContact OE2-NH2 3.46Å; R144-R163 HydrophobicContact CB-CB 4.37Å; R144-I164 VanDerWaalsContact CA-O 3.25Å; R144-I164 WeakPolarHBondContact CA-O 3.29Å; R144-I164 WeakPolarHBondContact CD-O 3.36Å; R144-S165 PolarHBondContact NE-OG 2.65Å; R144-S165 PolarHBondContact NH1-OG 2.79Å; R144-S165 PolarHBondContact NH2-OG 3.02Å; R144-S165 VanDerWaalsContact NH2-OG 3.11Å
145	P	96	Very high	92.1	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.026	22%	0.219	C	C	.	.			trans	-74.2	152.4	-171.3	31.9	-33.4	0	0	0	112.2	Q143 Y161 R163 I164	Q143-P145 HydrophobicContact CG-CB 4.43Å; Q143-P145 HydrophobicContact CG-CG 4.35Å; P145-Y161 HydrophobicContact CB-CE2 4.13Å; P145-Y161 HydrophobicContact CG-CE2 4.27Å; P145-R163 WeakPolarHBondContact O-CA 3.19Å; P145-R163 PolarHBondContact O-N 2.92Å; P145-I164 VanDerWaalsContact CD-O 3.28Å; P145-I164 WeakPolarHBondContact CD-O 3.41Å; P145-I164 HydrophobicContact CG-CD1 4.37Å; P145-I164 HydrophobicContact CG-CG1 3.92Å; P145-I164 PolarHBondContact O-N 3Å
146	T	96.1	Very high	91.3	Very high	56 Å²	56	38.5 Å²	38.5	34%	0.344	21%	0.212	S	C	.	.			trans	-126.7	133.7	171.3	-62	0	0	0	0	107.7	F160 Y161 D162 R163 Q245	T146-F160 HydrophobicContact CG2-CE1 4.4Å; T146-F160 HydrophobicContact CG2-CZ 4.32Å; T146-Y161 CarbonylContact C-O 3.54Å; T146-Y161 VanDerWaalsContact CA-O 3.29Å; T146-Y161 WeakPolarHBondContact CA-O 3.49Å; T146-Y161 WeakPolarHBondContact CG2-O 3.34Å; T146-D162 WeakPolarHBondContact CB-OD1 3.29Å; T146-D162 HydrophobicContact CG2-CB 4.28Å; T146-D162 WeakPolarHBondContact CG2-OD1 3.24Å; T146-D162 PolarHBondContact OG1-OD1 3.11Å; T146-R163 PolarHBondContact OG1-N 2.68Å; T146-Q245 PolarHBondContact O-NE2 3.25Å
147	G	95.7	Very high	90.7	Very high	15 Å²	15	38.1 Å²	38.1	16%	0.155	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	-179.1	-177.9	0	0	0	0	0	113.6	F160 Y161	G147-F160 WeakPolarHBondContact O-CA 3.34Å; G147-Y161 VanDerWaalsContact N-CE2 3.3Å; G147-Y161 PolarHBondContact N-O 2.94Å; G147-Y161 WeakPolarHBondContact O-CD1 3.37Å; G147-Y161 WeakPolarHBondContact O-CE1 3.35Å; G147-Y161 PolarHBondContact O-N 2.98Å
148	S	95.7	Very high	90.5	Very high	27 Å²	27	32.6 Å²	32.6	19%	0.189	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	153.4	177.4	60.6	0	0	0	0	111.1	S159 G799	S148-S159 CarbonylContact C-O 3.39Å; S148-S159 WeakPolarHBondContact CA-O 2.93Å; S148-S159 WeakPolarHBondContact CB-O 3.2Å; S148-G799 PolarHBondContact OG-N 3.02Å
149	F	94.7	Very high	90.3	Very high	4 Å²	4	32 Å²	32	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	163.1	177.8	66.5	-82.1	0	0	0	110.3	I151 S159 Y161 V235 Q237 H240 I313 F317	F149-I151 HydrophobicContact CD2-CG2 3.95Å; F149-I151 HydrophobicContact CE2-CD1 4.38Å; F149-I151 HydrophobicContact CE2-CG1 4.4Å; F149-I151 HydrophobicContact CE2-CG2 3.99Å; F149-S159 PolarHBondContact N-O 3.24Å; F149-S159 PolarHBondContact O-N 3.11Å; F149-Y161 AromaticContact CD1-CE1 3.97Å; F149-Y161 HydrophobicContact CD1-CE1 3.97Å; F149-Y161 HydrophobicContact CE1-CD1 4.33Å; F149-Y161 AromaticContact CE1-CE1 3.99Å; F149-Y161 HydrophobicContact CE1-CE1 3.99Å; F149-V235 WeakPolarHBondContact CZ-O 3.37Å; F149-Q237 HydrophobicContact CE1-CG 4.46Å; F149-H240 WeakPolarHBondContact CB-NE2 3.42Å; F149-H240 HydrophobicContact CD1-CB 4.01Å; F149-H240 AromaticContact CD1-CD2 3.62Å; F149-H240 AromaticContact CD1-CG 3.56Å; F149-H240 AromaticContact CD1-ND1 3.95Å; F149-H240 HydrophobicContact CE1-CB 3.88Å; F149-H240 AromaticContact CE1-CG 3.97Å; F149-H240 AromaticContact CG-CD2 3.58Å; F149-H240 AromaticContact CG-NE2 3.92Å; F149-H240 HydrophobicContact CZ-CB 4.43Å; F149-I313 HydrophobicContact CD2-CD1 4.35Å; F149-I313 HydrophobicContact CE2-CD1 3.82Å; F149-I313 HydrophobicContact CZ-CD1 4.19Å; F149-F317 HydrophobicContact CB-CE1 3.94Å; F149-F317 HydrophobicContact CB-CZ 3.87Å; F149-F317 HydrophobicContact CD2-CE2 4.2Å; F149-F317 AromaticContact CD2-CZ 3.92Å; F149-F317 HydrophobicContact CD2-CZ 3.92Å; F149-F317 HydrophobicContact CG-CZ 4.24Å
150	S	91.4	Very high	90.2	Very high	25 Å²	25	31.3 Å²	31.3	18%	0.175	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.1	176.4	-52.4	0	0	0	0	109.9	F157 T158	S150-F157 WeakPolarHBondContact CA-O 3.5Å; S150-T158 PolarHBondContact OG-OG1 2.97Å
151	I	87.7	Confident	90.2	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.4	173.9	52.9	173.3	0	0	0	110.1	F149 F153 F157 V235 F317	F149-I151 HydrophobicContact CD2-CG2 3.95Å; F149-I151 HydrophobicContact CE2-CD1 4.38Å; F149-I151 HydrophobicContact CE2-CG1 4.4Å; F149-I151 HydrophobicContact CE2-CG2 3.99Å; I151-F153 VanDerWaalsContact C-N 3.27Å; I151-F153 HydrophobicContact CB-CB 4.47Å; I151-F153 HydrophobicContact CD1-CB 3.62Å; I151-F153 HydrophobicContact CD1-CD1 4.39Å; I151-F153 HydrophobicContact CD1-CG 4.25Å; I151-F153 HydrophobicContact CG1-CB 3.85Å; I151-F153 PolarHBondContact O-N 3.24Å; I151-F157 HydrophobicContact CD1-CD1 4.36Å; I151-F157 HydrophobicContact CG1-CB 4.19Å; I151-F157 HydrophobicContact CG1-CD1 4.09Å; I151-F157 PolarHBondContact N-O 3.44Å; I151-F157 PolarHBondContact O-N 3.49Å; I151-V235 HydrophobicContact CD1-CG1 3.73Å; I151-F317 HydrophobicContact CG2-CE2 4.22Å; I151-F317 HydrophobicContact CG2-CZ 4.41Å
152	D	82.2	Confident	90.1	Very high	128 Å²	128	27.5 Å²	27.5	68%	0.684	16%	0.157	S	C	*	.			trans	-75.6	87.8	163.3	-172.6	13.5	0	0	0	108	R312	D152-R312 PolarHBondContact O-NH1 3.36Å; D152-R312 PolarHBondContact O-NH2 2.93Å
153	F	78.4	Confident	90	Very high	33 Å²	33	29.6 Å²	29.6	15%	0.145	16%	0.159	C	C	.	.			trans	-141.9	136.8	176.4	-177.5	-117.6	0	0	0	108.2	I151 G155 G156 V235 D308	I151-F153 VanDerWaalsContact C-N 3.27Å; I151-F153 HydrophobicContact CB-CB 4.47Å; I151-F153 HydrophobicContact CD1-CB 3.62Å; I151-F153 HydrophobicContact CD1-CD1 4.39Å; I151-F153 HydrophobicContact CD1-CG 4.25Å; I151-F153 HydrophobicContact CG1-CB 3.85Å; I151-F153 PolarHBondContact O-N 3.24Å; F153-G155 PolarHBondContact O-N 2.91Å; F153-G156 PolarHBondContact O-N 3.31Å; F153-G156 VanDerWaalsContact O-N 3.1Å; F153-V235 HydrophobicContact CD1-CG1 4.21Å; F153-V235 HydrophobicContact CE1-CG1 4.48Å; F153-D308 HydrophobicContact CD2-CB 4.18Å; F153-D308 HydrophobicContact CE2-CB 3.9Å; F153-D308 HydrophobicContact CZ-CB 4.26Å
154	L	73.3	Confident	89.9	Confident	25 Å²	25	28.8 Å²	28.8	13%	0.131	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	30.7	-179.4	-59.8	171.7	0	0	0	114.8	P306 P732 V733 F735 L736	L154-P306 HydrophobicContact CD2-CB 4.4Å; L154-P732 HydrophobicContact CB-CG 4.16Å; L154-V733 HydrophobicContact CB-CG1 4.35Å; L154-V733 HydrophobicContact CD1-CG1 3.68Å; L154-V733 HydrophobicContact CD2-CG1 4.08Å; L154-V733 HydrophobicContact CG-CG1 4.25Å; L154-F735 VanDerWaalsContact O-CE1 3.32Å; L154-F735 WeakPolarHBondContact O-CE1 3.35Å; L154-L736 HydrophobicContact CD2-CD1 4.33Å
155	G	67.5	Low	89.9	Confident	30 Å²	30	24.5 Å²	24.5	31%	0.309	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	26.5	179.4	0	0	0	0	0	114.7	F153 D806	F153-G155 PolarHBondContact O-N 2.91Å; G155-D806 WeakPolarHBondContact O-CA 3.41Å; G155-D806 VanDerWaalsContact O-CB 3.29Å; G155-D806 WeakPolarHBondContact O-CB 3.22Å
156	G	78.8	Confident	90	Very high	7 Å²	7	24.3 Å²	24.3	7%	0.072	14%	0.137	C	C	.	.			trans	104.2	111.7	175.1	0	0	0	0	0	111.6	F153	F153-G156 PolarHBondContact O-N 3.31Å; F153-G156 VanDerWaalsContact O-N 3.1Å
157	F	86	Confident	90.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	119.8	-177.1	-177.5	-93	0	0	0	109.8	S150 I151 V235 L731 P732 F812 F814	S150-F157 WeakPolarHBondContact CA-O 3.5Å; I151-F157 HydrophobicContact CD1-CD1 4.36Å; I151-F157 HydrophobicContact CG1-CB 4.19Å; I151-F157 HydrophobicContact CG1-CD1 4.09Å; I151-F157 PolarHBondContact N-O 3.44Å; I151-F157 PolarHBondContact O-N 3.49Å; F157-V235 HydrophobicContact CD1-CB 4.36Å; F157-V235 HydrophobicContact CD1-CG1 4.05Å; F157-V235 HydrophobicContact CE1-CB 3.55Å; F157-V235 HydrophobicContact CE1-CG1 3.73Å; F157-V235 HydrophobicContact CE1-CG2 3.98Å; F157-V235 HydrophobicContact CE2-CB 4.49Å; F157-V235 HydrophobicContact CE2-CG2 4.01Å; F157-V235 HydrophobicContact CZ-CB 3.64Å; F157-V235 HydrophobicContact CZ-CG1 4.2Å; F157-V235 HydrophobicContact CZ-CG2 3.56Å; F157-L731 HydrophobicContact CE2-CD2 3.98Å; F157-P732 HydrophobicContact CD2-CG 4.06Å; F157-F812 AromaticContact CD2-CD1 3.89Å; F157-F812 HydrophobicContact CD2-CD1 3.89Å; F157-F812 AromaticContact CD2-CE1 3.77Å; F157-F812 HydrophobicContact CD2-CE1 3.77Å; F157-F812 HydrophobicContact CE2-CD1 4.24Å; F157-F812 AromaticContact CE2-CE1 3.68Å; F157-F812 HydrophobicContact CE2-CE1 3.68Å; F157-F814 HydrophobicContact CE1-CB 4.39Å; F157-F814 HydrophobicContact CE2-CB 3.64Å; F157-F814 HydrophobicContact CE2-CD1 4.45Å; F157-F814 HydrophobicContact CE2-CG 4.16Å; F157-F814 HydrophobicContact CZ-CB 3.49Å; F157-F814 VanDerWaalsContact CZ-CB 3.49Å; F157-F814 AromaticContact CZ-CD1 3.83Å; F157-F814 HydrophobicContact CZ-CD1 3.83Å; F157-F814 AromaticContact CZ-CG 3.92Å; F157-F814 HydrophobicContact CZ-CG 3.92Å
158	T	93.3	Very high	90.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130	169.7	-58.2	0	0	0	0	108.7	S150 W796 L798 F812 V813 F814	S150-T158 PolarHBondContact OG-OG1 2.97Å; T158-W796 HydrophobicContact CG2-CH2 3.99Å; T158-W796 HydrophobicContact CG2-CZ2 3.81Å; T158-W796 WeakPolarHBondContact OG1-CH2 3.31Å; T158-W796 WeakPolarHBondContact OG1-CZ2 3.32Å; T158-L798 HydrophobicContact CG2-CB 4.14Å; T158-L798 HydrophobicContact CG2-CD1 4.47Å; T158-F812 PolarHBondContact N-O 2.87Å; T158-V813 HydrophobicContact CG2-CG1 4.34Å; T158-V813 HydrophobicContact CG2-CG2 4.2Å; T158-V813 CarbonylContact O-C 3.57Å; T158-V813 VanDerWaalsContact O-CA 3.28Å; T158-V813 WeakPolarHBondContact O-CA 3.49Å; T158-F814 PolarHBondContact O-N 3.22Å
159	S	94.5	Very high	90.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	140.8	179.7	-166.2	0	0	0	0	110.8	S148 F149 Q237 F814	S148-S159 CarbonylContact C-O 3.39Å; S148-S159 WeakPolarHBondContact CA-O 2.93Å; S148-S159 WeakPolarHBondContact CB-O 3.2Å; F149-S159 PolarHBondContact N-O 3.24Å; F149-S159 PolarHBondContact O-N 3.11Å; S159-Q237 WeakPolarHBondContact OG-CG 3.25Å; S159-Q237 PolarHBondContact OG-NE2 3.41Å; S159-F814 CarbonylContact C-O 3.19Å; S159-F814 WeakPolarHBondContact CA-O 3.37Å
160	F	96.3	Very high	90.6	Very high	32 Å²	32	20.5 Å²	20.5	14%	0.14	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.7	164.1	-169.8	-74.2	0	0	0	108.8	T146 G147 D162 L798 F814 Y815 S816 W824	T146-F160 HydrophobicContact CG2-CE1 4.4Å; T146-F160 HydrophobicContact CG2-CZ 4.32Å; G147-F160 WeakPolarHBondContact O-CA 3.34Å; F160-D162 HydrophobicContact CE1-CB 4.3Å; F160-L798 HydrophobicContact CD2-CD2 3.69Å; F160-L798 HydrophobicContact CE2-CD2 4.35Å; F160-F814 PolarHBondContact N-O 3.34Å; F160-Y815 HydrophobicContact CB-CD2 4.2Å; F160-Y815 AromaticContact CD1-CD2 3.38Å; F160-Y815 HydrophobicContact CD1-CD2 3.38Å; F160-Y815 AromaticContact CD1-CE2 3.5Å; F160-Y815 HydrophobicContact CD1-CE2 3.5Å; F160-Y815 HydrophobicContact CE1-CD2 4.11Å; F160-Y815 AromaticContact CE1-CE2 3.76Å; F160-Y815 HydrophobicContact CE1-CE2 3.76Å; F160-Y815 HydrophobicContact CG-CD2 4.1Å; F160-Y815 VanDerWaalsContact O-CA 3.3Å; F160-Y815 WeakPolarHBondContact O-CA 3.24Å; F160-S816 PolarHBondContact O-N 2.77Å; F160-W824 HydrophobicContact CB-CZ2 4.37Å; F160-W824 AromaticContact CD1-NE1 3.86Å; F160-W824 AromaticContact CD2-NE1 3.75Å; F160-W824 AromaticContact CE1-CD1 3.79Å; F160-W824 AromaticContact CE1-NE1 3.87Å; F160-W824 AromaticContact CE2-NE1 3.76Å; F160-W824 HydrophobicContact CG-CZ2 4.45Å; F160-W824 AromaticContact CG-NE1 3.8Å; F160-W824 AromaticContact CZ-CD1 3.86Å; F160-W824 AromaticContact CZ-NE1 3.82Å
161	Y	96.8	Very high	90.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.5	177	57.1	-91	0	0	0	110.9	P145 T146 G147 F149 I164 Q237 H240 G241 Q245 S816	P145-Y161 HydrophobicContact CB-CE2 4.13Å; P145-Y161 HydrophobicContact CG-CE2 4.27Å; T146-Y161 CarbonylContact C-O 3.54Å; T146-Y161 VanDerWaalsContact CA-O 3.29Å; T146-Y161 WeakPolarHBondContact CA-O 3.49Å; T146-Y161 WeakPolarHBondContact CG2-O 3.34Å; G147-Y161 VanDerWaalsContact N-CE2 3.3Å; G147-Y161 PolarHBondContact N-O 2.94Å; G147-Y161 WeakPolarHBondContact O-CD1 3.37Å; G147-Y161 WeakPolarHBondContact O-CE1 3.35Å; G147-Y161 PolarHBondContact O-N 2.98Å; F149-Y161 AromaticContact CD1-CE1 3.97Å; F149-Y161 HydrophobicContact CD1-CE1 3.97Å; F149-Y161 HydrophobicContact CE1-CD1 4.33Å; F149-Y161 AromaticContact CE1-CE1 3.99Å; F149-Y161 HydrophobicContact CE1-CE1 3.99Å; Y161-I164 HydrophobicContact CD2-CD1 3.38Å; Y161-I164 HydrophobicContact CD2-CG1 3.77Å; Y161-I164 HydrophobicContact CE2-CD1 4Å; Y161-I164 HydrophobicContact CE2-CG1 4.46Å; Y161-I164 HydrophobicContact CG-CD1 3.74Å; Y161-I164 HydrophobicContact CG-CG1 4.43Å; Y161-Q237 HydrophobicContact CD1-CB 3.75Å; Y161-Q237 HydrophobicContact CD1-CG 3.98Å; Y161-Q237 HydrophobicContact CE1-CB 4.44Å; Y161-Q237 HydrophobicContact CG-CB 3.97Å; Y161-Q237 HydrophobicContact CG-CG 4.41Å; Y161-H240 AromaticContact CE1-ND1 3.92Å; Y161-H240 AromaticContact CZ-ND1 3.76Å; Y161-H240 PolarHBondContact OH-ND1 2.79Å; Y161-G241 WeakPolarHBondContact OH-CA 3.29Å; Y161-G241 PolarHBondContact OH-N 3.28Å; Y161-Q245 PolarHBondContact OH-NE2 2.85Å; Y161-S816 CarbonylContact C-O 3.58Å; Y161-S816 VanDerWaalsContact CA-O 3.27Å; Y161-S816 WeakPolarHBondContact CA-O 3.13Å
162	D	96.3	Very high	91.4	Very high	20 Å²	20	19.1 Å²	19.1	11%	0.107	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.8	179.3	-167.3	26.1	0	0	0	112.4	T146 F160 I164 Y815 S816 H817 G818 A821	T146-D162 WeakPolarHBondContact CB-OD1 3.29Å; T146-D162 HydrophobicContact CG2-CB 4.28Å; T146-D162 WeakPolarHBondContact CG2-OD1 3.24Å; T146-D162 PolarHBondContact OG1-OD1 3.11Å; F160-D162 HydrophobicContact CE1-CB 4.3Å; D162-I164 PolarHBondContact O-N 3.25Å; D162-I164 VanDerWaalsContact O-N 3.09Å; D162-Y815 HydrophobicContact CB-CE2 4.43Å; D162-S816 PolarHBondContact N-O 3.28Å; D162-H817 HydrophobicContact CB-CB 3.98Å; D162-H817 WeakPolarHBondContact O-CA 3.28Å; D162-H817 VanDerWaalsContact O-CB 3.31Å; D162-H817 WeakPolarHBondContact O-CB 3.23Å; D162-G818 PolarHBondContact O-N 3.45Å; D162-A821 HydrophobicContact CB-CB 4.45Å; D162-A821 WeakPolarHBondContact OD2-CB 3.22Å
163	R	95.4	Very high	92.1	Very high	101 Å²	101	13.1 Å²	13.1	38%	0.381	7%	0.067	S	C	.	.	S	Bend	trans	49	36.7	175.2	-59.6	-164.3	-71	-129.7	7.1	115.3	R144 P145 T146 D820	R144-R163 HydrophobicContact CB-CB 4.37Å; P145-R163 WeakPolarHBondContact O-CA 3.19Å; P145-R163 PolarHBondContact O-N 2.92Å; T146-R163 PolarHBondContact OG1-N 2.68Å; R163-D820 PolarHBondContact NE-O 3.37Å; R163-D820 PolarHBondContact NH2-O 3.02Å
164	I	96.1	Very high	92.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.			trans	-64	162.2	173.2	59.5	176.6	0	0	0	111.5	V107 R144 P145 Y161 D162 A231 Q237 A238	V107-I164 HydrophobicContact CG1-CG2 3.91Å; R144-I164 VanDerWaalsContact CA-O 3.25Å; R144-I164 WeakPolarHBondContact CA-O 3.29Å; R144-I164 WeakPolarHBondContact CD-O 3.36Å; P145-I164 VanDerWaalsContact CD-O 3.28Å; P145-I164 WeakPolarHBondContact CD-O 3.41Å; P145-I164 HydrophobicContact CG-CD1 4.37Å; P145-I164 HydrophobicContact CG-CG1 3.92Å; P145-I164 PolarHBondContact O-N 3Å; Y161-I164 HydrophobicContact CD2-CD1 3.38Å; Y161-I164 HydrophobicContact CD2-CG1 3.77Å; Y161-I164 HydrophobicContact CE2-CD1 4Å; Y161-I164 HydrophobicContact CE2-CG1 4.46Å; Y161-I164 HydrophobicContact CG-CD1 3.74Å; Y161-I164 HydrophobicContact CG-CG1 4.43Å; D162-I164 PolarHBondContact O-N 3.25Å; D162-I164 VanDerWaalsContact O-N 3.09Å; I164-A231 HydrophobicContact CB-CB 4.3Å; I164-A231 HydrophobicContact CD1-CB 3.94Å; I164-A231 HydrophobicContact CG2-CB 4.43Å; I164-Q237 HydrophobicContact CD1-CB 3.74Å; I164-A238 VanDerWaalsContact CD1-CA 3.49Å; I164-A238 HydrophobicContact CD1-CB 3.69Å; I164-A238 HydrophobicContact CG1-CB 4.42Å
165	S	95.8	Very high	93.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.111	C	C	.	.			trans	-93.4	137.4	-176.6	-76.4	0	0	0	0	114.4	E113 R144 G230	E113-S165 WeakPolarHBondContact OE2-CB 3.49Å; E113-S165 PolarHBondContact OE2-OG 3.17Å; R144-S165 PolarHBondContact NE-OG 2.65Å; R144-S165 PolarHBondContact NH1-OG 2.79Å; R144-S165 PolarHBondContact NH2-OG 3.02Å; R144-S165 VanDerWaalsContact NH2-OG 3.11Å; S165-G230 WeakPolarHBondContact O-CA 3.21Å; S165-G230 PolarHBondContact O-N 3.16Å; S165-G230 VanDerWaalsContact O-N 3.1Å
166	N	97.8	Very high	95.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.9	164.1	-91.4	-20.8	0	0	0	109.6	V142 Q143 L227 N229 A238	V142-N166 CarbonylContact C-O 3.6Å; V142-N166 WeakPolarHBondContact CA-O 3.12Å; Q143-N166 HydrophobicContact CB-CB 3.93Å; Q143-N166 PolarHBondContact N-O 2.88Å; Q143-N166 PolarHBondContact O-N 2.89Å; Q143-N166 PolarHBondContact OE1-ND2 3.47Å; N166-L227 HydrophobicContact CB-CD1 4.19Å; N166-N229 WeakPolarHBondContact OD1-CA 3.33Å; N166-A238 PolarHBondContact ND2-O 2.97Å; N166-A238 WeakPolarHBondContact OD1-CB 3.49Å
167	I	98.7	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	109.8	166.3	-57.4	160.1	0	0	0	108.3	V117 L120 L121 I124 V140 V169 F228	V117-I167 HydrophobicContact CB-CD1 4.23Å; V117-I167 HydrophobicContact CG1-CD1 4.05Å; V117-I167 HydrophobicContact CG1-CG1 4.42Å; V117-I167 HydrophobicContact CG2-CD1 4.18Å; L120-I167 HydrophobicContact CB-CD1 3.68Å; L120-I167 HydrophobicContact CD1-CD1 3.79Å; L120-I167 HydrophobicContact CG-CD1 4.38Å; L121-I167 HydrophobicContact CD2-CD1 4.49Å; L121-I167 HydrophobicContact CD2-CG1 4.47Å; L121-I167 HydrophobicContact CD2-CG2 3.95Å; L121-I167 HydrophobicContact CG-CD1 4.27Å; I124-I167 HydrophobicContact CD1-CG2 3.85Å; V140-I167 HydrophobicContact CG1-CG2 4.08Å; I167-V169 HydrophobicContact CG2-CG2 4.08Å; I167-F228 HydrophobicContact CB-CB 4.23Å; I167-F228 HydrophobicContact CB-CD2 4.49Å; I167-F228 PolarHBondContact N-O 3.26Å; I167-F228 PolarHBondContact O-N 2.99Å
168	A	98.7	Very high	96.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.9	175.7	0	0	0	0	0	109.9	V140 D141 V225 L227 F242 W248	V140-A168 WeakPolarHBondContact CA-O 3.39Å; D141-A168 PolarHBondContact N-O 3.34Å; D141-A168 PolarHBondContact O-N 2.76Å; A168-V225 HydrophobicContact CB-CG1 4.3Å; A168-L227 HydrophobicContact CB-CD1 4.21Å; A168-F242 HydrophobicContact CB-CD2 4.48Å; A168-F242 HydrophobicContact CB-CE2 4.1Å; A168-W248 HydrophobicContact CB-CE3 4.17Å; A168-W248 HydrophobicContact CB-CZ3 3.79Å
169	V	98.8	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	111.9	178.1	-172	0	0	0	0	109.8	I124 V138 T139 V140 I167 L210 V225 F226 F228	I124-V169 HydrophobicContact CD1-CG2 3.46Å; I124-V169 VanDerWaalsContact CD1-CG2 3.46Å; I124-V169 HydrophobicContact CG1-CG2 4.02Å; I124-V169 HydrophobicContact CG2-CG1 3.92Å; I124-V169 HydrophobicContact CG2-CG2 3.94Å; V138-V169 HydrophobicContact CG1-CG1 3.59Å; T139-V169 CarbonylContact O-C 3.47Å; T139-V169 WeakPolarHBondContact O-CA 3.37Å; V140-V169 HydrophobicContact CG1-CG2 4.47Å; V140-V169 HydrophobicContact CG2-CG1 4.36Å; I167-V169 HydrophobicContact CG2-CG2 4.08Å; V169-L210 HydrophobicContact CB-CD2 4.48Å; V169-L210 HydrophobicContact CG1-CD1 4.33Å; V169-L210 HydrophobicContact CG1-CD2 3.85Å; V169-V225 CarbonylContact O-C 3.56Å; V169-V225 WeakPolarHBondContact O-CA 3.48Å; V169-F226 HydrophobicContact CB-CB 4.27Å; V169-F226 PolarHBondContact N-O 3.29Å; V169-F226 PolarHBondContact O-N 2.66Å; V169-F228 HydrophobicContact CG2-CD2 4.37Å; V169-F228 HydrophobicContact CG2-CE2 4.1Å
170	K	98.6	Very high	96.6	Very high	22 Å²	22	33.9 Å²	33.9	10%	0.096	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117	176.1	-172.5	176.1	62.8	148.2	0	110.9	V138 T139 E172 L180 V224 V225 W248	V138-K170 CarbonylContact C-O 3.55Å; V138-K170 WeakPolarHBondContact CA-O 3.13Å; T139-K170 PolarHBondContact N-O 2.6Å; T139-K170 PolarHBondContact O-N 3.09Å; K170-E172 WeakPolarHBondContact CE-OE1 3.48Å; K170-E172 VanDerWaalsContact NZ-CD 3.26Å; K170-E172 IonicContact NZ-OE1 3.78Å; K170-E172 PolarHBondContact NZ-OE1 2.73Å; K170-E172 IonicContact NZ-OE2 2.84Å; K170-E172 PolarHBondContact NZ-OE2 3.04Å; K170-E172 VanDerWaalsContact NZ-OE2 3.14Å; K170-L180 HydrophobicContact CD-CD1 4.15Å; K170-L180 HydrophobicContact CD-CD2 4.35Å; K170-L180 HydrophobicContact CG-CD2 4.46Å; K170-V224 CarbonylContact C-O 3.54Å; K170-V224 WeakPolarHBondContact CA-O 3.48Å; K170-V225 HydrophobicContact CG-CG2 4.49Å; K170-W248 HydrophobicContact CB-CD2 4.13Å; K170-W248 HydrophobicContact CB-CE3 3.74Å; K170-W248 HydrophobicContact CB-CH2 3.81Å; K170-W248 HydrophobicContact CB-CZ2 4.19Å; K170-W248 HydrophobicContact CB-CZ3 3.57Å; K170-W248 HydrophobicContact CD-CD2 3.97Å; K170-W248 HydrophobicContact CD-CE3 4.4Å; K170-W248 HydrophobicContact CD-CG 4.28Å
171	L	98.6	Very high	96.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.5	168	179	69.8	0	0	0	109.2	H136 V138 L210 L213 A214 L220 G223 V224 F226	H136-L171 HydrophobicContact CB-CD1 3.67Å; V138-L171 HydrophobicContact CG2-CD1 3.74Å; L171-L210 HydrophobicContact CB-CD1 4.19Å; L171-L210 HydrophobicContact CD2-CD1 4.32Å; L171-L213 HydrophobicContact CD2-CB 3.54Å; L171-A214 HydrophobicContact CD1-CB 3.84Å; L171-A214 HydrophobicContact CD2-CB 4.46Å; L171-L220 HydrophobicContact CD2-CD1 4.11Å; L171-L220 HydrophobicContact CG-CD1 4.46Å; L171-G223 CarbonylContact O-C 3.55Å; L171-G223 WeakPolarHBondContact O-CA 3.38Å; L171-V224 PolarHBondContact N-O 3.14Å; L171-V224 PolarHBondContact O-N 3.31Å; L171-F226 HydrophobicContact CB-CE2 4.24Å; L171-F226 HydrophobicContact CD2-CE2 4.37Å
172	E	97.6	Very high	96.7	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.019	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	157.3	178.7	63.7	-176.7	167.8	0	0	111.1	H136 R137 K170 A177	H136-E172 CarbonylContact C-O 3.44Å; H136-E172 VanDerWaalsContact CA-O 3.26Å; H136-E172 WeakPolarHBondContact CA-O 3.32Å; H136-E172 WeakPolarHBondContact CB-O 3.12Å; R137-E172 HydrophobicContact CB-CG 4.49Å; R137-E172 IonicContact CZ-OE1 3.9Å; R137-E172 PolarHBondContact N-O 3.04Å; R137-E172 IonicContact NE-OE1 3.23Å; R137-E172 PolarHBondContact NE-OE1 2.98Å; R137-E172 IonicContact NH2-OE1 3.05Å; R137-E172 PolarHBondContact NH2-OE1 2.91Å; R137-E172 PolarHBondContact O-N 3.47Å; K170-E172 WeakPolarHBondContact CE-OE1 3.48Å; K170-E172 VanDerWaalsContact NZ-CD 3.26Å; K170-E172 IonicContact NZ-OE1 3.78Å; K170-E172 PolarHBondContact NZ-OE1 2.73Å; K170-E172 IonicContact NZ-OE2 2.84Å; K170-E172 PolarHBondContact NZ-OE2 3.04Å; K170-E172 VanDerWaalsContact NZ-OE2 3.14Å; E172-A177 HydrophobicContact CB-CB 4.06Å; E172-A177 PolarHBondContact OE2-N 2.84Å
173	P	96.7	Very high	96.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	150	169	28.6	-37.5	0	0	0	110.5	R175 G176 P219 L220	P173-R175 HydrophobicContact CB-CG 4.09Å; P173-R175 HydrophobicContact CG-CG 4.17Å; P173-R175 PolarHBondContact O-N 2.84Å; P173-G176 WeakPolarHBondContact O-CA 3.4Å; P173-G176 PolarHBondContact O-N 3.17Å; P173-P219 HydrophobicContact CB-CB 4.15Å; P173-L220 WeakPolarHBondContact CG-O 3.48Å
174	K	95.4	Very high	97	Very high	110 Å²	110	26.7 Å²	26.7	48%	0.478	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-24.5	-178.3	-82.2	175.7	173.6	169.3	0	114.4	A132 G134 P135 H136 R137 G176	A132-K174 PolarHBondContact O-NZ 2.91Å; G134-K174 WeakPolarHBondContact O-CE 3.43Å; G134-K174 PolarHBondContact O-NZ 2.82Å; P135-K174 WeakPolarHBondContact O-CG 3.44Å; P135-K174 PolarHBondContact O-N 2.82Å; H136-K174 WeakPolarHBondContact O-CE 3.45Å; R137-K174 HydrophobicContact CB-CG 4.42Å; K174-G176 PolarHBondContact O-N 2.92Å
175	R	93.6	Very high	97.1	Very high	194 Å²	194	26.7 Å²	26.7	73%	0.732	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-6.8	172.8	66.6	178.9	-178.6	174.6	0.8	114.5	P173	P173-R175 HydrophobicContact CB-CG 4.09Å; P173-R175 HydrophobicContact CG-CG 4.17Å; P173-R175 PolarHBondContact O-N 2.84Å
176	G	94.3	Very high	97.2	Very high	27 Å²	27	26.7 Å²	26.7	28%	0.278	12%	0.124	S	C	.	.			trans	86.6	157.6	-172.6	0	0	0	0	0	113.4	P173 K174	P173-G176 WeakPolarHBondContact O-CA 3.4Å; P173-G176 PolarHBondContact O-N 3.17Å; K174-G176 PolarHBondContact O-N 2.92Å
177	A	94.7	Very high	97.2	Very high	15 Å²	15	26.7 Å²	26.7	12%	0.124	12%	0.124	C	C	.	.			trans	-119.2	143.3	171.4	0	0	0	0	0	111.4	E172 L180	E172-A177 HydrophobicContact CB-CB 4.06Å; E172-A177 PolarHBondContact OE2-N 2.84Å; A177-L180 HydrophobicContact CB-CD2 4.21Å
178	Q	94.4	Very high	97.2	Very high	155 Å²	155	26.7 Å²	26.7	72%	0.724	13%	0.125	S	C	*	.	S	Bend	trans	-88.7	-25.3	173.9	-67.7	-174.6	-5.4	0	0	113.2
179	H	96.3	Very high	97.2	Very high	30 Å²	30	26.8 Å²	26.8	14%	0.139	13%	0.125	C	C	.	.	S	Bend	trans	-129	142.7	-175.5	-52.4	-48.9	0	0	0	109.4	H222 G223 R253 A370	H179-H222 AromaticContact CD2-CE1 3.87Å; H179-H222 AromaticContact CD2-ND1 3.88Å; H179-H222 WeakPolarHBondContact O-CB 3.26Å; H179-G223 PolarHBondContact O-N 2.79Å; H179-R253 HydrophobicContact CB-CG 3.98Å; H179-A370 VanDerWaalsContact CD2-CA 3.46Å; H179-A370 WeakPolarHBondContact CD2-CA 3.16Å; H179-A370 VanDerWaalsContact CD2-CB 3.47Å; H179-A370 WeakPolarHBondContact CD2-CB 3.39Å
180	L	97.3	Very high	97	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.6	-176.5	-54.5	176	0	0	0	110.4	K170 A177 G223 V225 W248 Q251 V252 R253	K170-L180 HydrophobicContact CD-CD1 4.15Å; K170-L180 HydrophobicContact CD-CD2 4.35Å; K170-L180 HydrophobicContact CG-CD2 4.46Å; A177-L180 HydrophobicContact CB-CD2 4.21Å; L180-G223 CarbonylContact C-O 3.26Å; L180-G223 WeakPolarHBondContact CA-O 3.37Å; L180-V225 HydrophobicContact CB-CG2 4.33Å; L180-V225 HydrophobicContact CD1-CG2 3.66Å; L180-V225 HydrophobicContact CG-CG2 4.49Å; L180-W248 HydrophobicContact CD1-CB 4.11Å; L180-Q251 HydrophobicContact CB-CB 4.49Å; L180-Q251 HydrophobicContact CD1-CB 3.72Å; L180-Q251 HydrophobicContact CG-CB 3.82Å; L180-Q251 PolarHBondContact N-O 3.35Å; L180-V252 HydrophobicContact CB-CG2 4.4Å; L180-V252 WeakPolarHBondContact O-CA 3.5Å; L180-R253 PolarHBondContact O-N 2.98Å
181	M	97.8	Very high	96.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	144.7	155.3	-77.9	-61.2	-60.1	0	0	109.1	G223 V224 V225 A254 I256 L360 L363 V364 L369	M181-G223 PolarHBondContact N-O 2.96Å; M181-V224 HydrophobicContact CB-CG2 4.44Å; M181-V224 CarbonylContact O-C 3.51Å; M181-V224 VanDerWaalsContact O-CA 3.29Å; M181-V224 WeakPolarHBondContact O-CA 3.31Å; M181-V225 PolarHBondContact O-N 3.19Å; M181-A254 HydrophobicContact CE-CB 4.04Å; M181-A254 HydrophobicContact SD-CB 3.77Å; M181-I256 HydrophobicContact CE-CG1 4.15Å; M181-L360 HydrophobicContact CB-CD2 4.32Å; M181-L360 HydrophobicContact CE-CD2 4.39Å; M181-L363 HydrophobicContact CE-CB 4.39Å; M181-L363 HydrophobicContact CE-CD1 3.61Å; M181-L363 HydrophobicContact CG-CB 4.14Å; M181-L363 HydrophobicContact SD-CB 4.07Å; M181-L363 HydrophobicContact SD-CD1 4.3Å; M181-V364 HydrophobicContact CB-CG1 3.99Å; M181-V364 HydrophobicContact CG-CG1 3.64Å; M181-L369 HydrophobicContact CG-CD1 4.15Å; M181-L369 HydrophobicContact CG-CD2 3.64Å; M181-L369 HydrophobicContact SD-CD1 3.37Å; M181-L369 WeakPolarHBondContact SD-CD1 3.37Å; M181-L369 HydrophobicContact SD-CD2 4.01Å; M181-L369 HydrophobicContact SD-CG 4.35Å
182	L	98.5	Very high	96.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.3	166.3	174.8	65.1	0	0	0	109.4	V225 L227 F242 V252 A254 F255 I256 Y314	L182-V225 CarbonylContact C-O 3.47Å; L182-V225 WeakPolarHBondContact CA-O 3.37Å; L182-V225 HydrophobicContact CD1-CB 4.11Å; L182-V225 HydrophobicContact CD1-CG1 4.11Å; L182-L227 HydrophobicContact CD1-CB 3.74Å; L182-L227 HydrophobicContact CD1-CD2 4.43Å; L182-F242 HydrophobicContact CD1-CE1 3.86Å; L182-F242 HydrophobicContact CD1-CZ 4.21Å; L182-F242 HydrophobicContact CD2-CD1 4.4Å; L182-F242 HydrophobicContact CD2-CE1 4.03Å; L182-V252 HydrophobicContact CB-CG1 3.71Å; L182-V252 HydrophobicContact CB-CG2 4.34Å; L182-A254 PolarHBondContact N-O 3.38Å; L182-F255 HydrophobicContact CB-CB 3.73Å; L182-F255 HydrophobicContact CD2-CB 4.04Å; L182-F255 HydrophobicContact CG-CB 4.1Å; L182-F255 CarbonylContact O-C 3.1Å; L182-F255 WeakPolarHBondContact O-CA 3.14Å; L182-I256 PolarHBondContact O-N 3.02Å; L182-Y314 HydrophobicContact CD2-CD1 3.91Å; L182-Y314 HydrophobicContact CD2-CD2 4.37Å; L182-Y314 HydrophobicContact CD2-CE1 3.52Å; L182-Y314 HydrophobicContact CD2-CE2 4.01Å; L182-Y314 HydrophobicContact CD2-CG 4.34Å
183	A	98.6	Very high	96.4	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.017	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.5	165.3	0	0	0	0	0	107.2	M206 V224 V225 F226 L227 I256 L360	A183-M206 HydrophobicContact CB-CE 4.14Å; A183-M206 HydrophobicContact CB-SD 4.49Å; A183-M206 WeakPolarHBondContact O-CE 3.05Å; A183-V224 HydrophobicContact CB-CG1 4.39Å; A183-V225 PolarHBondContact N-O 2.89Å; A183-F226 HydrophobicContact CB-CD1 4.08Å; A183-F226 HydrophobicContact CB-CE1 4.4Å; A183-F226 WeakPolarHBondContact O-CA 3.38Å; A183-L227 PolarHBondContact O-N 3.14Å; A183-I256 WeakPolarHBondContact CA-O 3.35Å; A183-L360 HydrophobicContact CB-CD1 4.06Å; A183-L360 HydrophobicContact CB-CD2 4.46Å
184	N	98.6	Very high	96.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.7	-174.7	-175.4	78.7	0	0	0	111.2	L227 I256 N257 L258 D310 Y314	N184-L227 WeakPolarHBondContact OD1-CD2 3.28Å; N184-I256 PolarHBondContact N-O 3.07Å; N184-N257 PolarHBondContact ND2-OD1 3.35Å; N184-L258 WeakPolarHBondContact O-CB 3.16Å; N184-L258 PolarHBondContact O-N 3.13Å; N184-L258 VanDerWaalsContact O-N 3.08Å; N184-D310 PolarHBondContact ND2-OD2 2.95Å; N184-Y314 HydrophobicContact CB-CE2 4.03Å; N184-Y314 PolarHBondContact OD1-OH 2.94Å
185	C	98.3	Very high	96.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	164.8	162.5	69.5	0	0	0	0	107.5	D199 C203 M206 L227 F228 N229	C185-D199 WeakPolarHBondContact CA-OD2 3.11Å; C185-D199 WeakPolarHBondContact CB-OD2 3.3Å; C185-C203 HydrophobicContact CB-CB 4.16Å; C185-C203 WeakPolarHBondContact CB-SG 3.31Å; C185-C203 WeakPolarHBondContact SG-CA 3.48Å; C185-C203 WeakPolarHBondContact SG-CB 3.48Å; C185-C203 CovalentContact SG-SG 2.07Å; C185-C203 PolarHBondContact SG-SG 3.03Å; C185-M206 HydrophobicContact CB-SD 3.45Å; C185-M206 WeakPolarHBondContact CB-SD 3.47Å; C185-M206 PolarHBondContact N-SD 3.4Å; C185-M206 VanDerWaalsContact N-SD 3.42Å; C185-L227 PolarHBondContact N-O 3.42Å; C185-F228 WeakPolarHBondContact SG-CD1 3.07Å; C185-N229 WeakPolarHBondContact O-CB 3.41Å; C185-N229 PolarHBondContact O-N 2.97Å
186	H	98.5	Very high	96.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.6	171.8	75.9	96	0	0	0	112.7	D188 D198 D199 C203 N229 E232 E259	H186-D188 WeakPolarHBondContact CB-OD1 3.18Å; H186-D188 IonicContact CG-OD1 3.89Å; H186-D188 PolarHBondContact ND1-O 3.46Å; H186-D188 IonicContact ND1-OD1 3.66Å; H186-D188 PolarHBondContact ND1-OD1 2.93Å; H186-D188 VanDerWaalsContact ND1-OD1 3.16Å; H186-D198 IonicContact CE1-OD1 2.79Å; H186-D198 IonicContact NE2-OD1 3.14Å; H186-D198 PolarHBondContact NE2-OD1 2.92Å; H186-D199 WeakPolarHBondContact CD2-CB 3.18Å; H186-D199 IonicContact CD2-OD2 2.74Å; H186-D199 PolarHBondContact N-OD2 2.87Å; H186-D199 WeakPolarHBondContact NE2-CB 3.01Å; H186-D199 CarbonylContact O-C 3.52Å; H186-D199 WeakPolarHBondContact O-CB 3.41Å; H186-C203 VanDerWaalsContact C-SG 3.57Å; H186-C203 PolarHBondContact O-SG 2.97Å; H186-C203 VanDerWaalsContact O-SG 3.38Å; H186-N229 CarbonylContact C-O 3.48Å; H186-N229 WeakPolarHBondContact CA-O 3.41Å; H186-N229 HydrophobicContact CB-CB 3.87Å; H186-E232 HydrophobicContact CB-CB 3.51Å; H186-E232 HydrophobicContact CB-CG 4.28Å; H186-E232 IonicContact CE1-OE2 3.65Å; H186-E232 VanDerWaalsContact CG-CB 3.4Å; H186-E232 IonicContact NE2-OE2 2.91Å; H186-E259 IonicContact CD2-OE2 2.73Å; H186-E259 IonicContact NE2-OE2 2.65Å
187	F	98.2	Very high	96.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.			trans	-107.4	-12.7	-176.7	66.6	-102	0	0	0	113.3	R105 N112 T116 V117 L120 F228 N229 G230	R105-F187 WeakPolarHBondContact CD-O 3.44Å; R105-F187 PolarHBondContact NE-O 3.45Å; N112-F187 WeakPolarHBondContact O-CE2 3.45Å; N112-F187 VanDerWaalsContact OD1-CD2 3.27Å; N112-F187 WeakPolarHBondContact OD1-CD2 3.25Å; N112-F187 WeakPolarHBondContact OD1-CE2 3.1Å; T116-F187 HydrophobicContact CG2-CB 3.99Å; T116-F187 HydrophobicContact CG2-CD2 3.63Å; T116-F187 HydrophobicContact CG2-CE2 4.37Å; T116-F187 HydrophobicContact CG2-CG 3.97Å; V117-F187 HydrophobicContact CG2-CE2 4.2Å; V117-F187 HydrophobicContact CG2-CZ 3.87Å; L120-F187 HydrophobicContact CD1-CB 4.41Å; L120-F187 HydrophobicContact CD1-CD1 3.93Å; L120-F187 HydrophobicContact CD1-CE1 4.42Å; L120-F187 HydrophobicContact CD1-CG 4.19Å; F187-F228 HydrophobicContact CD1-CB 3.96Å; F187-F228 HydrophobicContact CE1-CB 4.31Å; F187-F228 WeakPolarHBondContact CE1-O 3.38Å; F187-N229 WeakPolarHBondContact CD1-O 3.11Å; F187-N229 WeakPolarHBondContact CE1-O 3.32Å; F187-N229 PolarHBondContact N-O 3.35Å; F187-G230 VanDerWaalsContact CE1-CA 3.46Å
188	D	98.3	Very high	96.8	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.074	C	C	.	.			trans	-70.9	172	172.3	66.6	-53.4	0	0	0	111.5	R105 V107 N112 H186 G230 A231 E232 E233	R105-D188 VanDerWaalsContact O-CA 3.32Å; R105-D188 WeakPolarHBondContact O-CA 3.4Å; R105-D188 WeakPolarHBondContact O-CB 3.1Å; V107-D188 HydrophobicContact CG2-CB 4.4Å; N112-D188 WeakPolarHBondContact OD1-CA 3.26Å; N112-D188 WeakPolarHBondContact OD1-CB 3.43Å; H186-D188 WeakPolarHBondContact CB-OD1 3.18Å; H186-D188 IonicContact CG-OD1 3.89Å; H186-D188 PolarHBondContact ND1-O 3.46Å; H186-D188 IonicContact ND1-OD1 3.66Å; H186-D188 PolarHBondContact ND1-OD1 2.93Å; H186-D188 VanDerWaalsContact ND1-OD1 3.16Å; D188-G230 WeakPolarHBondContact CB-O 3.5Å; D188-A231 PolarHBondContact OD1-N 2.83Å; D188-A231 VanDerWaalsContact OD2-CA 3.26Å; D188-A231 WeakPolarHBondContact OD2-CA 3.35Å; D188-E232 PolarHBondContact OD1-N 3.04Å; D188-E232 PolarHBondContact OD2-N 3.24Å; D188-E233 WeakPolarHBondContact OD2-CB 3.32Å; D188-E233 PolarHBondContact OD2-N 2.98Å
189	T	97.7	Very high	97	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.012	4%	0.04	C	C	.	.			trans	-145.1	153.7	179.4	67.7	0	0	0	0	110.9	R105 P106 S193	R105-T189 HydrophobicContact CB-CG2 4.21Å; R105-T189 PolarHBondContact N-OG1 3.12Å; R105-T189 PolarHBondContact O-N 3.35Å; P106-T189 WeakPolarHBondContact CA-O 3.4Å; T189-S193 PolarHBondContact OG1-O 3.42Å
190	V	95.1	Very high	97.1	Very high	32 Å²	32	5.3 Å²	5.3	19%	0.194	3%	0.033	C	C	.	.			trans	-55	154.7	158.4	-66	0	0	0	0	112.9	S193 E233 H335	V190-S193 PolarHBondContact O-N 2.84Å; V190-E233 HydrophobicContact CG1-CB 4.3Å; V190-E233 VanDerWaalsContact CG1-CD 3.49Å; V190-E233 HydrophobicContact CG1-CG 4.42Å; V190-E233 WeakPolarHBondContact CG1-OE1 3.14Å; V190-E233 WeakPolarHBondContact CG1-OE2 3.26Å; V190-E233 PolarHBondContact N-OE1 3.41Å; V190-H335 HydrophobicContact CG2-CB 3.94Å
191	A	93.3	Very high	97.1	Very high	13 Å²	13	5.3 Å²	5.3	11%	0.107	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	142.9	175.3	0	0	0	0	0	112.4	S193 F854	A191-S193 PolarHBondContact O-N 2.91Å; A191-S193 VanDerWaalsContact O-N 3.1Å; A191-F854 HydrophobicContact CB-CB 4.04Å; A191-F854 HydrophobicContact CB-CD1 3.59Å; A191-F854 HydrophobicContact CB-CE1 4.22Å; A191-F854 HydrophobicContact CB-CG 3.93Å
192	N	94.4	Very high	97.1	Very high	36 Å²	36	5.6 Å²	5.6	19%	0.193	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	5.1	178.6	-49.3	121.5	0	0	0	116.4	F876 S878 S879	N192-F876 HydrophobicContact CB-CE2 4.36Å; N192-F876 HydrophobicContact CB-CZ 3.97Å; N192-S878 PolarHBondContact OD1-OG 3.23Å; N192-S879 PolarHBondContact OD1-N 2.87Å; N192-S879 PolarHBondContact OD1-O 3.46Å
193	S	95.8	Very high	97.1	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.035	C	C	.	.			trans	-103.5	137	171.8	-174.3	0	0	0	0	110.9	P104 T189 V190 A191 G195 T336	P104-S193 VanDerWaalsContact CA-O 3.31Å; P104-S193 WeakPolarHBondContact CA-O 3.33Å; P104-S193 WeakPolarHBondContact CB-O 3.07Å; P104-S193 WeakPolarHBondContact CG-O 3.21Å; T189-S193 PolarHBondContact OG1-O 3.42Å; V190-S193 PolarHBondContact O-N 2.84Å; A191-S193 PolarHBondContact O-N 2.91Å; A191-S193 VanDerWaalsContact O-N 3.1Å; S193-G195 PolarHBondContact O-N 3.49Å; S193-G195 PolarHBondContact OG-N 3.42Å; S193-T336 PolarHBondContact OG-O 2.78Å
194	P	96.3	Very high	97.1	Very high	26 Å²	26	5.5 Å²	5.5	17%	0.169	3%	0.034	C	C	.	.			trans	-69.6	-20.2	171.2	-15.6	28.9	0	0	0	113.8	R105 D339 T340	R105-P194 VanDerWaalsContact CZ-O 3.3Å; R105-P194 PolarHBondContact NH1-O 3.24Å; R105-P194 PolarHBondContact NH2-O 2.88Å; P194-D339 WeakPolarHBondContact CB-O 3.39Å; P194-D339 WeakPolarHBondContact CG-O 3.17Å; P194-T340 HydrophobicContact CG-CG2 4.03Å
195	G	96.6	Very high	97.1	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.035	C	C	.	.			trans	58.8	53.2	175.8	0	0	0	0	0	113.3	R105 S193 D198 A200 D339	R105-G195 PolarHBondContact NH2-O 3.04Å; S193-G195 PolarHBondContact O-N 3.49Å; S193-G195 PolarHBondContact OG-N 3.42Å; G195-D198 CarbonylContact C-O 3.55Å; G195-D198 VanDerWaalsContact C-O 3.26Å; G195-D198 WeakPolarHBondContact CA-O 3.24Å; G195-A200 WeakPolarHBondContact O-CB 3.42Å; G195-A200 PolarHBondContact O-N 3.06Å; G195-D339 WeakPolarHBondContact CA-OD2 3.28Å
196	A	97.4	Very high	97.1	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.035	C	C	.	.	I	π-helix	trans	-80.9	-48.9	-177.5	0	0	0	0	0	111.9	L96 T100 D198 V201 D339 T340 A341 I344	L96-A196 HydrophobicContact CD1-CB 4.24Å; L96-A196 VanDerWaalsContact CD1-O 3.31Å; L96-A196 WeakPolarHBondContact CD1-O 3.4Å; T100-A196 HydrophobicContact CG2-CB 3.69Å; A196-D198 VanDerWaalsContact C-N 3.34Å; A196-V201 WeakPolarHBondContact O-CB 3.42Å; A196-V201 PolarHBondContact O-N 3.06Å; A196-D339 WeakPolarHBondContact CB-O 3.45Å; A196-D339 PolarHBondContact N-O 2.07Å; A196-D339 PolarHBondContact N-OD2 3.38Å; A196-T340 VanDerWaalsContact CB-CA 3.49Å; A196-A341 HydrophobicContact CB-CB 4.43Å; A196-I344 HydrophobicContact CB-CD1 4.14Å
197	S	95.8	Very high	97.1	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.035	C	C	.	.	I	π-helix	trans	-80.7	-25.4	171.9	-162.9	0	0	0	0	111	V201 A260 G262 G264 D339	S197-V201 WeakPolarHBondContact O-CG1 3.39Å; S197-A260 WeakPolarHBondContact O-CB 3.31Å; S197-G262 VanDerWaalsContact CB-O 3.23Å; S197-G262 WeakPolarHBondContact CB-O 3.22Å; S197-G262 PolarHBondContact OG-O 2.85Å; S197-G264 PolarHBondContact OG-N 2.94Å; S197-D339 WeakPolarHBondContact CB-OD1 3.47Å; S197-D339 PolarHBondContact N-OD1 3.27Å; S197-D339 PolarHBondContact N-OD2 3.5Å
198	D	96.4	Very high	97.2	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.036	C	C	.	.	I	π-helix	trans	-121.6	87.7	-173.5	-170.4	40.4	0	0	0	110.7	H186 G195 A196 A260 Y334 H335 D339	H186-D198 IonicContact CE1-OD1 2.79Å; H186-D198 IonicContact NE2-OD1 3.14Å; H186-D198 PolarHBondContact NE2-OD1 2.92Å; G195-D198 CarbonylContact C-O 3.55Å; G195-D198 VanDerWaalsContact C-O 3.26Å; G195-D198 WeakPolarHBondContact CA-O 3.24Å; A196-D198 VanDerWaalsContact C-N 3.34Å; D198-A260 HydrophobicContact CB-CB 4.43Å; D198-Y334 HydrophobicContact CB-CD2 4.21Å; D198-Y334 HydrophobicContact CB-CE2 3.91Å; D198-Y334 WeakPolarHBondContact OD2-CE2 3.4Å; D198-Y334 PolarHBondContact OD2-OH 3.1Å; D198-H335 IonicContact OD2-CD2 2.73Å; D198-H335 PolarHBondContact OD2-CD2 3.09Å; D198-H335 IonicContact OD2-NE2 2.85Å; D198-H335 PolarHBondContact OD2-NE2 3.45Å; D198-D339 PolarHBondContact N-OD2 3.2Å
199	D	97.3	Very high	97.2	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.036	C	C	.	.	I	π-helix	cis	-129.4	30.6	-6.9	-177.7	45.3	0	0	0	112	C185 H186 V201 S202 C203	C185-D199 WeakPolarHBondContact CA-OD2 3.11Å; C185-D199 WeakPolarHBondContact CB-OD2 3.3Å; H186-D199 WeakPolarHBondContact CD2-CB 3.18Å; H186-D199 IonicContact CD2-OD2 2.74Å; H186-D199 PolarHBondContact N-OD2 2.87Å; H186-D199 WeakPolarHBondContact NE2-CB 3.01Å; H186-D199 CarbonylContact O-C 3.52Å; H186-D199 WeakPolarHBondContact O-CB 3.41Å; D199-V201 PolarHBondContact O-N 2.58Å; D199-V201 VanDerWaalsContact O-N 3.07Å; D199-S202 VanDerWaalsContact CG-CB 3.43Å; D199-S202 PolarHBondContact O-N 3.1Å; D199-S202 WeakPolarHBondContact OD1-CB 3.2Å; D199-S202 PolarHBondContact OD1-OG 3.36Å; D199-S202 WeakPolarHBondContact OD2-CB 3.49Å; D199-C203 PolarHBondContact O-N 3.38Å
200	A	98.3	Very high	97.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.035	C	C	.	.	I	π-helix	trans	-56.8	-30.6	-178.8	0	0	0	0	0	113.7	L96 I99 T100 G195 C203 A204	L96-A200 HydrophobicContact CD1-CB 3.92Å; I99-A200 HydrophobicContact CB-CB 4.28Å; I99-A200 HydrophobicContact CG2-CB 3.65Å; T100-A200 HydrophobicContact CG2-CB 3.85Å; G195-A200 WeakPolarHBondContact O-CB 3.42Å; G195-A200 PolarHBondContact O-N 3.06Å; A200-C203 PolarHBondContact O-N 3.06Å; A200-A204 WeakPolarHBondContact O-CB 3.19Å; A200-A204 PolarHBondContact O-N 3.07Å
201	V	98.3	Very high	97.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-65.2	-40	177	64.4	0	0	0	0	112.1	L96 A196 S197 D199 A204 V205 F327 I344 I349	L96-V201 HydrophobicContact CD1-CB 4.17Å; L96-V201 HydrophobicContact CD2-CB 4.34Å; L96-V201 HydrophobicContact CD2-CG2 4.28Å; A196-V201 WeakPolarHBondContact O-CB 3.42Å; A196-V201 PolarHBondContact O-N 3.06Å; S197-V201 WeakPolarHBondContact O-CG1 3.39Å; D199-V201 PolarHBondContact O-N 2.58Å; D199-V201 VanDerWaalsContact O-N 3.07Å; V201-A204 WeakPolarHBondContact O-CB 3.27Å; V201-A204 PolarHBondContact O-N 3.41Å; V201-V205 WeakPolarHBondContact O-CG2 3.38Å; V201-V205 PolarHBondContact O-N 2.8Å; V201-F327 HydrophobicContact CG1-CD2 4.11Å; V201-F327 HydrophobicContact CG1-CE2 3.83Å; V201-F327 HydrophobicContact CG2-CE2 4.35Å; V201-I344 HydrophobicContact CB-CD1 3.97Å; V201-I344 HydrophobicContact CG1-CD1 4.32Å; V201-I344 HydrophobicContact CG2-CD1 4.31Å; V201-I344 HydrophobicContact CG2-CG2 4.16Å; V201-I349 HydrophobicContact CG2-CD1 4.29Å; V201-I349 HydrophobicContact CG2-CG1 3.9Å
202	S	98	Very high	97.5	Very high	6 Å²	6	5.6 Å²	5.6	4%	0.042	3%	0.033	C	C	.	.	H	α-helix	trans	-72.6	-36.2	179.5	-59.3	0	0	0	0	110.9	D199 A204 V205 M206	D199-S202 VanDerWaalsContact CG-CB 3.43Å; D199-S202 PolarHBondContact O-N 3.1Å; D199-S202 WeakPolarHBondContact OD1-CB 3.2Å; D199-S202 PolarHBondContact OD1-OG 3.36Å; D199-S202 WeakPolarHBondContact OD2-CB 3.49Å; S202-A204 VanDerWaalsContact C-N 3.33Å; S202-A204 PolarHBondContact O-N 3.22Å; S202-V205 PolarHBondContact O-N 3.16Å; S202-M206 WeakPolarHBondContact O-CB 3.42Å; S202-M206 WeakPolarHBondContact O-CG 3.37Å; S202-M206 PolarHBondContact O-N 3.07Å
203	C	98.6	Very high	97.7	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-63.8	-38.5	170.7	-67.4	0	0	0	0	112.7	I99 C185 H186 D199 A200 M206 L207 F228	I99-C203 HydrophobicContact CD1-CB 4.41Å; C185-C203 HydrophobicContact CB-CB 4.16Å; C185-C203 WeakPolarHBondContact CB-SG 3.31Å; C185-C203 WeakPolarHBondContact SG-CA 3.48Å; C185-C203 WeakPolarHBondContact SG-CB 3.48Å; C185-C203 CovalentContact SG-SG 2.07Å; C185-C203 PolarHBondContact SG-SG 3.03Å; H186-C203 VanDerWaalsContact C-SG 3.57Å; H186-C203 PolarHBondContact O-SG 2.97Å; H186-C203 VanDerWaalsContact O-SG 3.38Å; D199-C203 PolarHBondContact O-N 3.38Å; A200-C203 PolarHBondContact O-N 3.06Å; C203-M206 PolarHBondContact O-N 3.32Å; C203-L207 PolarHBondContact O-N 2.87Å; C203-F228 HydrophobicContact CB-CD1 3.86Å; C203-F228 HydrophobicContact CB-CE1 4.02Å
204	A	98.7	Very high	97.7	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-64	-40.6	172.5	0	0	0	0	0	113	A92 H95 L96 A200 V201 S202 E208	A92-A204 WeakPolarHBondContact O-CB 3.43Å; H95-A204 HydrophobicContact CB-CB 3.76Å; L96-A204 HydrophobicContact CB-CB 3.83Å; A200-A204 WeakPolarHBondContact O-CB 3.19Å; A200-A204 PolarHBondContact O-N 3.07Å; V201-A204 WeakPolarHBondContact O-CB 3.27Å; V201-A204 PolarHBondContact O-N 3.41Å; S202-A204 VanDerWaalsContact C-N 3.33Å; S202-A204 PolarHBondContact O-N 3.22Å; A204-E208 PolarHBondContact O-N 2.96Å
205	V	98.6	Very high	97.7	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.012	4%	0.044	C	C	.	.	H	α-helix	trans	-63.7	-45.3	173	168.8	0	0	0	0	110.6	F87 V201 S202 L207 E208 V209 I349 I356	F87-V205 HydrophobicContact CE2-CG1 4.02Å; F87-V205 HydrophobicContact CZ-CB 4.4Å; F87-V205 HydrophobicContact CZ-CG1 4.13Å; F87-V205 HydrophobicContact CZ-CG2 4.15Å; V201-V205 WeakPolarHBondContact O-CG2 3.38Å; V201-V205 PolarHBondContact O-N 2.8Å; S202-V205 PolarHBondContact O-N 3.16Å; V205-L207 VanDerWaalsContact C-N 3.35Å; V205-L207 PolarHBondContact O-N 3.02Å; V205-E208 PolarHBondContact O-N 3.15Å; V205-V209 HydrophobicContact CG1-CG2 4.07Å; V205-V209 VanDerWaalsContact O-CG2 3.3Å; V205-V209 WeakPolarHBondContact O-CG2 3.23Å; V205-V209 PolarHBondContact O-N 3.21Å; V205-I349 HydrophobicContact CG2-CG2 3.89Å; V205-I356 HydrophobicContact CG1-CD1 3.69Å
206	M	98.4	Very high	97.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.4	-38.5	179.2	-82.1	180	54	0	0	113	A183 C185 S202 C203 V209 L210 F226 F228 L258	A183-M206 HydrophobicContact CB-CE 4.14Å; A183-M206 HydrophobicContact CB-SD 4.49Å; A183-M206 WeakPolarHBondContact O-CE 3.05Å; C185-M206 HydrophobicContact CB-SD 3.45Å; C185-M206 WeakPolarHBondContact CB-SD 3.47Å; C185-M206 PolarHBondContact N-SD 3.4Å; C185-M206 VanDerWaalsContact N-SD 3.42Å; S202-M206 WeakPolarHBondContact O-CB 3.42Å; S202-M206 WeakPolarHBondContact O-CG 3.37Å; S202-M206 PolarHBondContact O-N 3.07Å; C203-M206 PolarHBondContact O-N 3.32Å; M206-V209 PolarHBondContact O-N 3.48Å; M206-L210 VanDerWaalsContact O-CB 3.32Å; M206-L210 WeakPolarHBondContact O-CB 3.32Å; M206-L210 PolarHBondContact O-N 2.98Å; M206-F226 HydrophobicContact CB-CD1 4.29Å; M206-F226 HydrophobicContact CE-CB 3.77Å; M206-F226 HydrophobicContact CE-CD1 3.89Å; M206-F226 HydrophobicContact CE-CG 4.34Å; M206-F226 HydrophobicContact CG-CD1 4.43Å; M206-F228 HydrophobicContact CB-CE1 4.1Å; M206-F228 HydrophobicContact CB-CZ 4.15Å; M206-F228 HydrophobicContact CE-CZ 4.47Å; M206-L258 HydrophobicContact CG-CD1 3.78Å; M206-L258 HydrophobicContact SD-CD1 3.95Å
207	L	98.8	Very high	97.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.1	-45	173.3	-77.2	174.2	0	0	0	112.1	H95 L120 Q123 I124 C203 V205 L210 H211 F228	H95-L207 HydrophobicContact CB-CD1 4.09Å; L120-L207 HydrophobicContact CD2-CD1 3.82Å; L120-L207 HydrophobicContact CD2-CG 4.39Å; Q123-L207 HydrophobicContact CB-CD1 4.39Å; Q123-L207 HydrophobicContact CB-CD2 4.36Å; I124-L207 HydrophobicContact CG1-CD2 3.88Å; C203-L207 PolarHBondContact O-N 2.87Å; V205-L207 VanDerWaalsContact C-N 3.35Å; V205-L207 PolarHBondContact O-N 3.02Å; L207-L210 PolarHBondContact O-N 2.85Å; L207-H211 WeakPolarHBondContact O-CB 2.99Å; L207-H211 PolarHBondContact O-N 3.25Å; L207-F228 HydrophobicContact CD2-CE1 4.21Å; L207-F228 HydrophobicContact CD2-CZ 3.73Å; L207-F228 HydrophobicContact CG-CE1 4Å; L207-F228 HydrophobicContact CG-CZ 3.93Å
208	E	98.6	Very high	97.1	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.019	11%	0.112	C	C	.	.	H	α-helix	trans	-71.2	-34.6	178.3	177.5	63.2	-167.6	0	0	111.9	F87 N88 R91 A92 A204 V205 H211 A212	F87-E208 HydrophobicContact CD2-CB 4.15Å; F87-E208 HydrophobicContact CD2-CG 3.53Å; F87-E208 HydrophobicContact CE2-CB 3.53Å; F87-E208 HydrophobicContact CE2-CG 3.38Å; F87-E208 HydrophobicContact CG-CG 4.18Å; F87-E208 HydrophobicContact CZ-CB 4.05Å; F87-E208 HydrophobicContact CZ-CG 3.92Å; N88-E208 WeakPolarHBondContact CB-OE1 3.39Å; N88-E208 PolarHBondContact N-OE1 3.2Å; N88-E208 VanDerWaalsContact N-OE1 3.13Å; R91-E208 WeakPolarHBondContact CD-OE2 3.46Å; R91-E208 IonicContact CZ-OE2 3.63Å; R91-E208 IonicContact NE-OE1 3.81Å; R91-E208 IonicContact NE-OE2 2.81Å; R91-E208 PolarHBondContact NE-OE2 3.26Å; A92-E208 HydrophobicContact CB-CB 4.13Å; A204-E208 PolarHBondContact O-N 2.96Å; V205-E208 PolarHBondContact O-N 3.15Å; E208-H211 PolarHBondContact O-N 3.35Å; E208-H211 IonicContact OE1-ND1 3.87Å; E208-H211 IonicContact OE2-ND1 3.8Å; E208-A212 WeakPolarHBondContact O-CB 3.22Å; E208-A212 PolarHBondContact O-N 2.85Å
209	V	98.6	Very high	96.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.6	-44.2	172.8	172.2	0	0	0	0	111.1	F87 V205 M206 A212 L213 F226 I356 L357 L360	F87-V209 HydrophobicContact CD2-CG2 4.08Å; F87-V209 HydrophobicContact CE2-CG2 3.99Å; V205-V209 HydrophobicContact CG1-CG2 4.07Å; V205-V209 VanDerWaalsContact O-CG2 3.3Å; V205-V209 WeakPolarHBondContact O-CG2 3.23Å; V205-V209 PolarHBondContact O-N 3.21Å; M206-V209 PolarHBondContact O-N 3.48Å; V209-A212 PolarHBondContact O-N 2.94Å; V209-L213 HydrophobicContact CG1-CD1 4.31Å; V209-L213 HydrophobicContact CG1-CG 4.42Å; V209-L213 WeakPolarHBondContact O-CG 3.39Å; V209-L213 PolarHBondContact O-N 2.99Å; V209-F226 HydrophobicContact CB-CE1 4.3Å; V209-F226 HydrophobicContact CG1-CE1 3.87Å; V209-F226 HydrophobicContact CG1-CZ 4.15Å; V209-I356 HydrophobicContact CG1-CG2 4.47Å; V209-I356 HydrophobicContact CG2-CB 4.43Å; V209-I356 HydrophobicContact CG2-CG2 4.07Å; V209-L357 HydrophobicContact CG1-CD1 4.1Å; V209-L357 HydrophobicContact CG2-CB 4.22Å; V209-L360 HydrophobicContact CG1-CD1 3.9Å
210	L	98.6	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.1	-48.7	173.5	168.9	61.9	0	0	0	110.5	I124 I127 V169 L171 M206 L207 A212 L213 A214 F226	I124-L210 HydrophobicContact CG1-CD2 4.33Å; I127-L210 HydrophobicContact CD1-CD2 4.19Å; I127-L210 HydrophobicContact CD1-CG 4.3Å; I127-L210 HydrophobicContact CG2-CG 4.35Å; V169-L210 HydrophobicContact CB-CD2 4.48Å; V169-L210 HydrophobicContact CG1-CD1 4.33Å; V169-L210 HydrophobicContact CG1-CD2 3.85Å; L171-L210 HydrophobicContact CB-CD1 4.19Å; L171-L210 HydrophobicContact CD2-CD1 4.32Å; M206-L210 VanDerWaalsContact O-CB 3.32Å; M206-L210 WeakPolarHBondContact O-CB 3.32Å; M206-L210 PolarHBondContact O-N 2.98Å; L207-L210 PolarHBondContact O-N 2.85Å; L210-A212 VanDerWaalsContact C-N 3.34Å; L210-A212 PolarHBondContact O-N 3.22Å; L210-L213 PolarHBondContact O-N 2.77Å; L210-A214 WeakPolarHBondContact O-CB 3.33Å; L210-A214 PolarHBondContact O-N 2.91Å; L210-F226 HydrophobicContact CB-CD1 4.27Å; L210-F226 HydrophobicContact CB-CD2 4.26Å; L210-F226 HydrophobicContact CB-CE1 4.06Å; L210-F226 HydrophobicContact CB-CE2 4.04Å; L210-F226 HydrophobicContact CB-CG 4.37Å; L210-F226 HydrophobicContact CB-CZ 3.93Å; L210-F226 HydrophobicContact CD1-CD2 3.82Å; L210-F226 HydrophobicContact CD1-CE2 3.65Å; L210-F226 HydrophobicContact CD1-CZ 4.34Å; L210-F226 HydrophobicContact CG-CD2 4.47Å; L210-F226 HydrophobicContact CG-CE2 4.41Å
211	H	97.7	Very high	96.7	Very high	28 Å²	28	26.5 Å²	26.5	13%	0.13	16%	0.155	C	C	.	.	H	α-helix	trans	-56.3	-46.8	175.5	170	-90.5	0	0	0	111.7	R91 I127 L207 E208 N215	R91-H211 VanDerWaalsContact CZ-CE1 3.4Å; R91-H211 PolarHBondContact NH1-CE1 2.92Å; R91-H211 PolarHBondContact NH1-NE2 3.45Å; R91-H211 PolarHBondContact NH2-CE1 3.48Å; R91-H211 VanDerWaalsContact NH2-CE1 3.28Å; I127-H211 HydrophobicContact CD1-CB 3.9Å; I127-H211 HydrophobicContact CG1-CB 4.02Å; L207-H211 WeakPolarHBondContact O-CB 2.99Å; L207-H211 PolarHBondContact O-N 3.25Å; E208-H211 PolarHBondContact O-N 3.35Å; E208-H211 IonicContact OE1-ND1 3.87Å; E208-H211 IonicContact OE2-ND1 3.8Å; H211-N215 VanDerWaalsContact O-CB 3.31Å; H211-N215 WeakPolarHBondContact O-CB 3.23Å; H211-N215 PolarHBondContact O-N 3.34Å; H211-N215 VanDerWaalsContact O-N 3.12Å
212	A	97.3	Very high	96.6	Very high	16 Å²	16	27.4 Å²	27.4	13%	0.132	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-43.4	-179.3	0	0	0	0	0	112.9	E208 V209 L210 L357	E208-A212 WeakPolarHBondContact O-CB 3.22Å; E208-A212 PolarHBondContact O-N 2.85Å; V209-A212 PolarHBondContact O-N 2.94Å; L210-A212 VanDerWaalsContact C-N 3.34Å; L210-A212 PolarHBondContact O-N 3.22Å; A212-L357 HydrophobicContact CB-CD1 3.94Å; A212-L357 HydrophobicContact CB-CD2 3.92Å
213	L	97.2	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70	-41.3	177.7	-70.7	-173.4	0	0	0	112.3	L171 V209 L210 N215 Q216 V224 F226 L357 L360 K361	L171-L213 HydrophobicContact CD2-CB 3.54Å; V209-L213 HydrophobicContact CG1-CD1 4.31Å; V209-L213 HydrophobicContact CG1-CG 4.42Å; V209-L213 WeakPolarHBondContact O-CG 3.39Å; V209-L213 PolarHBondContact O-N 2.99Å; L210-L213 PolarHBondContact O-N 2.77Å; L213-N215 PolarHBondContact O-N 3.32Å; L213-Q216 WeakPolarHBondContact O-CB 3.3Å; L213-Q216 PolarHBondContact O-N 3.4Å; L213-V224 HydrophobicContact CD1-CG2 4.39Å; L213-F226 HydrophobicContact CD1-CZ 4.12Å; L213-L357 HydrophobicContact CD2-CD1 3.59Å; L213-L357 HydrophobicContact CG-CD1 3.78Å; L213-L360 HydrophobicContact CD1-CB 4.46Å; L213-K361 HydrophobicContact CD2-CB 4.21Å
214	A	96.9	Very high	96.6	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-65.8	-27.7	179.1	0	0	0	0	0	112.7	I127 T131 V138 L171 L210 Q216	I127-A214 HydrophobicContact CG2-CB 4.09Å; T131-A214 HydrophobicContact CG2-CB 3.85Å; V138-A214 HydrophobicContact CG2-CB 4.39Å; L171-A214 HydrophobicContact CD1-CB 3.84Å; L171-A214 HydrophobicContact CD2-CB 4.46Å; L210-A214 WeakPolarHBondContact O-CB 3.33Å; L210-A214 PolarHBondContact O-N 2.91Å; A214-Q216 VanDerWaalsContact C-N 3.32Å
215	N	95.3	Very high	96.6	Very high	106 Å²	106	27.1 Å²	27.1	57%	0.567	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	3.9	178.4	-161.4	49.3	0	0	0	113.7	T131 H211 L213	T131-N215 HydrophobicContact CG2-CB 4.14Å; H211-N215 VanDerWaalsContact O-CB 3.31Å; H211-N215 WeakPolarHBondContact O-CB 3.23Å; H211-N215 PolarHBondContact O-N 3.34Å; H211-N215 VanDerWaalsContact O-N 3.12Å; L213-N215 PolarHBondContact O-N 3.32Å
216	Q	93.1	Very high	96.6	Very high	27 Å²	27	27 Å²	27	13%	0.126	16%	0.157	C	C	.	.			trans	-68.1	136.8	177.3	-72	-173	-2.6	0	0	111.5	P135 H136 L213 A214 T218 K361	P135-Q216 VanDerWaalsContact CD-O 3.29Å; P135-Q216 WeakPolarHBondContact CD-O 3.09Å; P135-Q216 WeakPolarHBondContact CG-O 3.49Å; H136-Q216 PolarHBondContact CE1-O 3.1Å; H136-Q216 VanDerWaalsContact CE1-O 3.23Å; L213-Q216 WeakPolarHBondContact O-CB 3.3Å; L213-Q216 PolarHBondContact O-N 3.4Å; A214-Q216 VanDerWaalsContact C-N 3.32Å; Q216-T218 VanDerWaalsContact C-N 3.26Å; Q216-T218 PolarHBondContact O-N 3.37Å; Q216-K361 VanDerWaalsContact NE2-CE 3.32Å
217	S	92.1	Very high	96.6	Very high	112 Å²	112	27 Å²	27	78%	0.783	16%	0.157	S	C	*	.	S	Bend	trans	-73.6	-20	175.3	58.1	0	0	0	0	113.1
218	T	92.4	Very high	96.6	Very high	84 Å²	84	27 Å²	27	52%	0.515	16%	0.157	S	C	.	.	S	Bend	trans	-98.6	130.3	178.7	50.2	0	0	0	0	110.9	H136 Q216	H136-T218 PolarHBondContact CE1-O 3.23Å; H136-T218 VanDerWaalsContact CE1-O 3.25Å; H136-T218 PolarHBondContact NE2-O 2.95Å; Q216-T218 VanDerWaalsContact C-N 3.26Å; Q216-T218 PolarHBondContact O-N 3.37Å
219	P	92.7	Very high	96.5	Very high	67 Å²	67	26.9 Å²	26.9	44%	0.435	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-63.9	141.7	176.3	25.4	-32.1	0	0	0	111.3	P135 P173	P135-P219 HydrophobicContact CB-CB 4.13Å; P135-P219 HydrophobicContact CG-CB 4.49Å; P173-P219 HydrophobicContact CB-CB 4.15Å
220	L	95	Very high	96.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-69.5	155.5	171	-55.4	176.9	0	0	0	110.5	H136 L171 P173 H222 V364	H136-L220 PolarHBondContact NE2-N 3.04Å; L171-L220 HydrophobicContact CD2-CD1 4.11Å; L171-L220 HydrophobicContact CG-CD1 4.46Å; P173-L220 WeakPolarHBondContact CG-O 3.48Å; L220-H222 WeakPolarHBondContact CB-O 3.47Å; L220-V364 HydrophobicContact CB-CG2 4.43Å; L220-V364 HydrophobicContact CD1-CG2 4.09Å; L220-V364 HydrophobicContact CD2-CG2 3.82Å; L220-V364 HydrophobicContact CG-CG2 4.29Å
221	H	95.1	Very high	96.4	Very high	101 Å²	101	26.9 Å²	26.9	47%	0.468	16%	0.156	S	C	.	.	S	Bend	trans	-79.4	-41.7	173.3	-63	173.7	0	0	0	111.2	V364 T365	H221-V364 WeakPolarHBondContact CB-O 3.36Å; H221-V364 PolarHBondContact N-O 3.13Å; H221-T365 PolarHBondContact ND1-O 3.07Å
222	H	96.9	Very high	96.4	Very high	20 Å²	20	26.2 Å²	26.2	9%	0.093	15%	0.153	C	C	.	.	S	Bend	trans	-117.1	167.6	176.9	-56.2	-62.5	0	0	0	110.8	H179 L220 V364 S366 L369	H179-H222 AromaticContact CD2-CE1 3.87Å; H179-H222 AromaticContact CD2-ND1 3.88Å; H179-H222 WeakPolarHBondContact O-CB 3.26Å; L220-H222 WeakPolarHBondContact CB-O 3.47Å; H222-V364 HydrophobicContact CB-CB 4.41Å; H222-V364 PolarHBondContact CD2-O 3.18Å; H222-V364 PolarHBondContact N-O 2.75Å; H222-S366 PolarHBondContact CD2-O 2.86Å; H222-S366 PolarHBondContact NE2-O 2.95Å; H222-L369 HydrophobicContact CB-CD2 3.66Å
223	G	97.6	Very high	96.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	172.1	176.7	0	0	0	0	0	112.8	L171 H179 L180 M181	L171-G223 CarbonylContact O-C 3.55Å; L171-G223 WeakPolarHBondContact O-CA 3.38Å; H179-G223 PolarHBondContact O-N 2.79Å; L180-G223 CarbonylContact C-O 3.26Å; L180-G223 WeakPolarHBondContact CA-O 3.37Å; M181-G223 PolarHBondContact N-O 2.96Å
224	V	98.6	Very high	96.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.8	172.1	-172.1	0	0	0	0	108.8	K170 L171 M181 A183 L213 F226 V364	K170-V224 CarbonylContact C-O 3.54Å; K170-V224 WeakPolarHBondContact CA-O 3.48Å; L171-V224 PolarHBondContact N-O 3.14Å; L171-V224 PolarHBondContact O-N 3.31Å; M181-V224 HydrophobicContact CB-CG2 4.44Å; M181-V224 CarbonylContact O-C 3.51Å; M181-V224 VanDerWaalsContact O-CA 3.29Å; M181-V224 WeakPolarHBondContact O-CA 3.31Å; A183-V224 HydrophobicContact CB-CG1 4.39Å; L213-V224 HydrophobicContact CD1-CG2 4.39Å; V224-F226 HydrophobicContact CB-CD2 4.26Å; V224-F226 HydrophobicContact CB-CE2 3.78Å; V224-F226 HydrophobicContact CB-CZ 4.36Å; V224-F226 HydrophobicContact CG1-CD2 3.83Å; V224-F226 HydrophobicContact CG1-CE1 4.36Å; V224-F226 HydrophobicContact CG1-CE2 3.55Å; V224-F226 HydrophobicContact CG1-CG 4.36Å; V224-F226 HydrophobicContact CG1-CZ 3.85Å; V224-V364 HydrophobicContact CG2-CB 4.42Å; V224-V364 HydrophobicContact CG2-CG1 3.4Å; V224-V364 VanDerWaalsContact CG2-CG1 3.4Å
225	V	98.8	Very high	96	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.4	161	-177.9	0	0	0	0	107.4	A168 V169 K170 L180 M181 L182 A183 F242 W248	A168-V225 HydrophobicContact CB-CG1 4.3Å; V169-V225 CarbonylContact O-C 3.56Å; V169-V225 WeakPolarHBondContact O-CA 3.48Å; K170-V225 HydrophobicContact CG-CG2 4.49Å; L180-V225 HydrophobicContact CB-CG2 4.33Å; L180-V225 HydrophobicContact CD1-CG2 3.66Å; L180-V225 HydrophobicContact CG-CG2 4.49Å; M181-V225 PolarHBondContact O-N 3.19Å; L182-V225 CarbonylContact C-O 3.47Å; L182-V225 WeakPolarHBondContact CA-O 3.37Å; L182-V225 HydrophobicContact CD1-CB 4.11Å; L182-V225 HydrophobicContact CD1-CG1 4.11Å; A183-V225 PolarHBondContact N-O 2.89Å; V225-F242 HydrophobicContact CG1-CE2 4.08Å; V225-F242 HydrophobicContact CG1-CZ 3.83Å; V225-W248 HydrophobicContact CG1-CE3 4.32Å; V225-W248 HydrophobicContact CG2-CB 4.35Å; V225-W248 HydrophobicContact CG2-CE3 4.18Å
226	F	98.8	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	111.8	165.7	-62.7	-97.7	0	0	0	107.1	V169 L171 A183 M206 V209 L210 L213 V224 F228 L360	V169-F226 HydrophobicContact CB-CB 4.27Å; V169-F226 PolarHBondContact N-O 3.29Å; V169-F226 PolarHBondContact O-N 2.66Å; L171-F226 HydrophobicContact CB-CE2 4.24Å; L171-F226 HydrophobicContact CD2-CE2 4.37Å; A183-F226 HydrophobicContact CB-CD1 4.08Å; A183-F226 HydrophobicContact CB-CE1 4.4Å; A183-F226 WeakPolarHBondContact O-CA 3.38Å; M206-F226 HydrophobicContact CB-CD1 4.29Å; M206-F226 HydrophobicContact CE-CB 3.77Å; M206-F226 HydrophobicContact CE-CD1 3.89Å; M206-F226 HydrophobicContact CE-CG 4.34Å; M206-F226 HydrophobicContact CG-CD1 4.43Å; V209-F226 HydrophobicContact CB-CE1 4.3Å; V209-F226 HydrophobicContact CG1-CE1 3.87Å; V209-F226 HydrophobicContact CG1-CZ 4.15Å; L210-F226 HydrophobicContact CB-CD1 4.27Å; L210-F226 HydrophobicContact CB-CD2 4.26Å; L210-F226 HydrophobicContact CB-CE1 4.06Å; L210-F226 HydrophobicContact CB-CE2 4.04Å; L210-F226 HydrophobicContact CB-CG 4.37Å; L210-F226 HydrophobicContact CB-CZ 3.93Å; L210-F226 HydrophobicContact CD1-CD2 3.82Å; L210-F226 HydrophobicContact CD1-CE2 3.65Å; L210-F226 HydrophobicContact CD1-CZ 4.34Å; L210-F226 HydrophobicContact CG-CD2 4.47Å; L210-F226 HydrophobicContact CG-CE2 4.41Å; L213-F226 HydrophobicContact CD1-CZ 4.12Å; V224-F226 HydrophobicContact CB-CD2 4.26Å; V224-F226 HydrophobicContact CB-CE2 3.78Å; V224-F226 HydrophobicContact CB-CZ 4.36Å; V224-F226 HydrophobicContact CG1-CD2 3.83Å; V224-F226 HydrophobicContact CG1-CE1 4.36Å; V224-F226 HydrophobicContact CG1-CE2 3.55Å; V224-F226 HydrophobicContact CG1-CG 4.36Å; V224-F226 HydrophobicContact CG1-CZ 3.85Å; F226-F228 HydrophobicContact CB-CE2 4.08Å; F226-L360 HydrophobicContact CE1-CD1 4.4Å
227	L	98.8	Very high	96.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.6	177.2	-177.3	65.4	0	0	0	109	N166 A168 L182 A183 N184 C185 F242 Y314	N166-L227 HydrophobicContact CB-CD1 4.19Å; A168-L227 HydrophobicContact CB-CD1 4.21Å; L182-L227 HydrophobicContact CD1-CB 3.74Å; L182-L227 HydrophobicContact CD1-CD2 4.43Å; A183-L227 PolarHBondContact O-N 3.14Å; N184-L227 WeakPolarHBondContact OD1-CD2 3.28Å; C185-L227 PolarHBondContact N-O 3.42Å; L227-F242 HydrophobicContact CD1-CB 4.3Å; L227-F242 HydrophobicContact CD1-CD2 3.77Å; L227-F242 HydrophobicContact CD1-CE2 4.32Å; L227-F242 HydrophobicContact CD1-CG 4.06Å; L227-F242 HydrophobicContact CD2-CB 3.65Å; L227-F242 HydrophobicContact CD2-CD1 3.72Å; L227-F242 HydrophobicContact CD2-CD2 4.09Å; L227-F242 HydrophobicContact CD2-CE1 4.4Å; L227-F242 HydrophobicContact CD2-CG 3.53Å; L227-F242 HydrophobicContact CG-CG 4.43Å; L227-Y314 VanDerWaalsContact CD2-OH 3.25Å; L227-Y314 WeakPolarHBondContact CD2-OH 3.09Å
228	F	98.8	Very high	96.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	100.8	166.7	-58.7	-93.1	0	0	0	106.5	L120 I124 I167 V169 C185 F187 C203 M206 L207 F226	L120-F228 HydrophobicContact CD1-CB 4.07Å; L120-F228 HydrophobicContact CD1-CD1 4.14Å; L120-F228 HydrophobicContact CD1-CG 4.22Å; L120-F228 HydrophobicContact CD2-CD1 4.18Å; L120-F228 HydrophobicContact CD2-CE1 4.28Å; I124-F228 HydrophobicContact CD1-CD2 4.43Å; I124-F228 HydrophobicContact CD1-CE2 4.13Å; I167-F228 HydrophobicContact CB-CB 4.23Å; I167-F228 HydrophobicContact CB-CD2 4.49Å; I167-F228 PolarHBondContact N-O 3.26Å; I167-F228 PolarHBondContact O-N 2.99Å; V169-F228 HydrophobicContact CG2-CD2 4.37Å; V169-F228 HydrophobicContact CG2-CE2 4.1Å; C185-F228 WeakPolarHBondContact SG-CD1 3.07Å; F187-F228 HydrophobicContact CD1-CB 3.96Å; F187-F228 HydrophobicContact CE1-CB 4.31Å; F187-F228 WeakPolarHBondContact CE1-O 3.38Å; C203-F228 HydrophobicContact CB-CD1 3.86Å; C203-F228 HydrophobicContact CB-CE1 4.02Å; M206-F228 HydrophobicContact CB-CE1 4.1Å; M206-F228 HydrophobicContact CB-CZ 4.15Å; M206-F228 HydrophobicContact CE-CZ 4.47Å; L207-F228 HydrophobicContact CD2-CE1 4.21Å; L207-F228 HydrophobicContact CD2-CZ 3.73Å; L207-F228 HydrophobicContact CG-CE1 4Å; L207-F228 HydrophobicContact CG-CZ 3.93Å; F226-F228 HydrophobicContact CB-CE2 4.08Å
229	N	96.7	Very high	96.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.2	-178.4	176.4	-15.6	0	0	0	110.2	N166 C185 H186 F187 A231 E232 A238 S239 D310	N166-N229 WeakPolarHBondContact OD1-CA 3.33Å; C185-N229 WeakPolarHBondContact O-CB 3.41Å; C185-N229 PolarHBondContact O-N 2.97Å; H186-N229 CarbonylContact C-O 3.48Å; H186-N229 WeakPolarHBondContact CA-O 3.41Å; H186-N229 HydrophobicContact CB-CB 3.87Å; F187-N229 WeakPolarHBondContact CD1-O 3.11Å; F187-N229 WeakPolarHBondContact CE1-O 3.32Å; F187-N229 PolarHBondContact N-O 3.35Å; N229-A231 PolarHBondContact OD1-N 2.73Å; N229-E232 PolarHBondContact OD1-N 3.39Å; N229-A238 WeakPolarHBondContact OD1-CB 3.38Å; N229-S239 PolarHBondContact ND2-N 3.45Å; N229-D310 VanDerWaalsContact ND2-CG 3.29Å; N229-D310 PolarHBondContact ND2-OD1 2.98Å; N229-D310 VanDerWaalsContact ND2-OD1 3.17Å; N229-D310 PolarHBondContact ND2-OD2 3.05Å
230	G	97.5	Very high	97	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	-109.7	13.9	-178.2	0	0	0	0	0	116.3	N112 S165 F187 D188	N112-G230 PolarHBondContact ND2-O 2.94Å; S165-G230 WeakPolarHBondContact O-CA 3.21Å; S165-G230 PolarHBondContact O-N 3.16Å; S165-G230 VanDerWaalsContact O-N 3.1Å; F187-G230 VanDerWaalsContact CE1-CA 3.46Å; D188-G230 WeakPolarHBondContact CB-O 3.5Å
231	A	97.8	Very high	97.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.045	C	C	.	.			trans	-158.5	49.6	179.5	0	0	0	0	0	113	V107 I164 D188 N229 Q237 A238	V107-A231 HydrophobicContact CG1-CB 4.28Å; V107-A231 HydrophobicContact CG2-CB 3.58Å; I164-A231 HydrophobicContact CB-CB 4.3Å; I164-A231 HydrophobicContact CD1-CB 3.94Å; I164-A231 HydrophobicContact CG2-CB 4.43Å; D188-A231 PolarHBondContact OD1-N 2.83Å; D188-A231 VanDerWaalsContact OD2-CA 3.26Å; D188-A231 WeakPolarHBondContact OD2-CA 3.35Å; N229-A231 PolarHBondContact OD1-N 2.73Å; A231-Q237 HydrophobicContact CB-CB 4.07Å; A231-Q237 PolarHBondContact O-N 3.07Å; A231-A238 HydrophobicContact CB-CB 3.95Å
232	E	97.7	Very high	97.3	Very high	14 Å²	14	4.5 Å²	4.5	7%	0.065	2%	0.022	C	C	.	.	S	Bend	trans	-72.8	-42.4	170.6	-169.1	-72.9	155.9	0	0	110.7	H186 D188 N229 N234 V235 L236	H186-E232 HydrophobicContact CB-CB 3.51Å; H186-E232 HydrophobicContact CB-CG 4.28Å; H186-E232 IonicContact CE1-OE2 3.65Å; H186-E232 VanDerWaalsContact CG-CB 3.4Å; H186-E232 IonicContact NE2-OE2 2.91Å; D188-E232 PolarHBondContact OD1-N 3.04Å; D188-E232 PolarHBondContact OD2-N 3.24Å; N229-E232 PolarHBondContact OD1-N 3.39Å; E232-N234 PolarHBondContact O-N 2.89Å; E232-V235 CarbonylContact O-C 3.48Å; E232-V235 VanDerWaalsContact O-CA 3.25Å; E232-V235 WeakPolarHBondContact O-CA 3.37Å; E232-V235 PolarHBondContact O-N 3.05Å; E232-L236 HydrophobicContact CG-CD2 3.94Å; E232-L236 PolarHBondContact O-N 2.88Å; E232-L236 WeakPolarHBondContact OE1-CD2 3.33Å
233	E	95.5	Very high	97.3	Very high	22 Å²	22	4.4 Å²	4.4	10%	0.103	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.1	-169.7	-67.8	-92.5	-124.6	0	0	112.5	D188 V190 V235 H335	D188-E233 WeakPolarHBondContact OD2-CB 3.32Å; D188-E233 PolarHBondContact OD2-N 2.98Å; V190-E233 HydrophobicContact CG1-CB 4.3Å; V190-E233 VanDerWaalsContact CG1-CD 3.49Å; V190-E233 HydrophobicContact CG1-CG 4.42Å; V190-E233 WeakPolarHBondContact CG1-OE1 3.14Å; V190-E233 WeakPolarHBondContact CG1-OE2 3.26Å; V190-E233 PolarHBondContact N-OE1 3.41Å; E233-V235 PolarHBondContact O-N 3.2Å; E233-H335 IonicContact OE1-CD2 2.74Å; E233-H335 IonicContact OE1-CE1 3.58Å; E233-H335 IonicContact OE1-NE2 3.02Å; E233-H335 PolarHBondContact OE1-NE2 2.92Å; E233-H335 IonicContact OE2-CE1 3.15Å; E233-H335 PolarHBondContact OE2-CE1 3.25Å; E233-H335 VanDerWaalsContact OE2-CE1 3.28Å; E233-H335 IonicContact OE2-NE2 3.44Å; E233-H335 PolarHBondContact OE2-NE2 3.16Å
234	N	93.9	Very high	97.3	Very high	8 Å²	8	7.5 Å²	7.5	4%	0.043	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	22.1	166.4	-81.8	-2.6	0	0	0	112.8	V107 E232 Q237 H780 F814 S816	V107-N234 VanDerWaalsContact CB-ND2 3.3Å; V107-N234 WeakPolarHBondContact CB-ND2 3.14Å; V107-N234 HydrophobicContact CG2-CB 4.32Å; V107-N234 WeakPolarHBondContact CG2-ND2 3.41Å; E232-N234 PolarHBondContact O-N 2.89Å; N234-Q237 HydrophobicContact CB-CG 4.15Å; N234-Q237 WeakPolarHBondContact O-CG 3.39Å; N234-Q237 PolarHBondContact O-NE2 2.96Å; N234-H780 PolarHBondContact ND2-CD2 3.01Å; N234-H780 PolarHBondContact ND2-NE2 3.01Å; N234-H780 PolarHBondContact OD1-NE2 3.26Å; N234-F814 HydrophobicContact CB-CE1 3.81Å; N234-S816 WeakPolarHBondContact ND2-CB 3.49Å; N234-S816 PolarHBondContact ND2-OG 3.3Å; N234-S816 VanDerWaalsContact ND2-OG 3.14Å
235	V	93.2	Very high	97.3	Very high	16 Å²	16	11.6 Å²	11.6	10%	0.097	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	73.2	-174.7	-166.6	0	0	0	0	111.1	F149 I151 F153 F157 E232 E233 Q237 L731	F149-V235 WeakPolarHBondContact CZ-O 3.37Å; I151-V235 HydrophobicContact CD1-CG1 3.73Å; F153-V235 HydrophobicContact CD1-CG1 4.21Å; F153-V235 HydrophobicContact CE1-CG1 4.48Å; F157-V235 HydrophobicContact CD1-CB 4.36Å; F157-V235 HydrophobicContact CD1-CG1 4.05Å; F157-V235 HydrophobicContact CE1-CB 3.55Å; F157-V235 HydrophobicContact CE1-CG1 3.73Å; F157-V235 HydrophobicContact CE1-CG2 3.98Å; F157-V235 HydrophobicContact CE2-CB 4.49Å; F157-V235 HydrophobicContact CE2-CG2 4.01Å; F157-V235 HydrophobicContact CZ-CB 3.64Å; F157-V235 HydrophobicContact CZ-CG1 4.2Å; F157-V235 HydrophobicContact CZ-CG2 3.56Å; E232-V235 CarbonylContact O-C 3.48Å; E232-V235 VanDerWaalsContact O-CA 3.25Å; E232-V235 WeakPolarHBondContact O-CA 3.37Å; E232-V235 PolarHBondContact O-N 3.05Å; E233-V235 PolarHBondContact O-N 3.2Å; V235-Q237 VanDerWaalsContact C-N 3.33Å; V235-Q237 PolarHBondContact O-N 3.33Å; V235-L731 HydrophobicContact CG2-CD2 3.96Å
236	L	95.7	Very high	97.2	Very high	2 Å²	2	12 Å²	12	1%	0.01	6%	0.062	C	C	.	.	S	Bend	trans	63.2	28.2	160.1	-36.4	178.9	0	0	0	115.4	E232 S239 H240 D308 T309 R312 I313	E232-L236 HydrophobicContact CG-CD2 3.94Å; E232-L236 PolarHBondContact O-N 2.88Å; E232-L236 WeakPolarHBondContact OE1-CD2 3.33Å; L236-S239 PolarHBondContact O-OG 3.17Å; L236-S239 VanDerWaalsContact O-OG 3.06Å; L236-H240 PolarHBondContact O-N 2.96Å; L236-D308 HydrophobicContact CD1-CB 4.27Å; L236-T309 WeakPolarHBondContact CD1-O 3.34Å; L236-R312 HydrophobicContact CD1-CB 4.44Å; L236-I313 HydrophobicContact CB-CD1 3.94Å; L236-I313 HydrophobicContact CB-CG1 3.41Å; L236-I313 VanDerWaalsContact CB-CG1 3.41Å; L236-I313 HydrophobicContact CD1-CD1 4.1Å; L236-I313 HydrophobicContact CD1-CG1 3.78Å; L236-I313 HydrophobicContact CG-CG1 4.23Å
237	Q	97.2	Very high	97.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-71.6	-45	-169.3	-65.9	-177.2	-22.7	0	0	112.8	F149 S159 Y161 I164 A231 N234 V235 H240 G241 S816	F149-Q237 HydrophobicContact CE1-CG 4.46Å; S159-Q237 WeakPolarHBondContact OG-CG 3.25Å; S159-Q237 PolarHBondContact OG-NE2 3.41Å; Y161-Q237 HydrophobicContact CD1-CB 3.75Å; Y161-Q237 HydrophobicContact CD1-CG 3.98Å; Y161-Q237 HydrophobicContact CE1-CB 4.44Å; Y161-Q237 HydrophobicContact CG-CB 3.97Å; Y161-Q237 HydrophobicContact CG-CG 4.41Å; I164-Q237 HydrophobicContact CD1-CB 3.74Å; A231-Q237 HydrophobicContact CB-CB 4.07Å; A231-Q237 PolarHBondContact O-N 3.07Å; N234-Q237 HydrophobicContact CB-CG 4.15Å; N234-Q237 WeakPolarHBondContact O-CG 3.39Å; N234-Q237 PolarHBondContact O-NE2 2.96Å; V235-Q237 VanDerWaalsContact C-N 3.33Å; V235-Q237 PolarHBondContact O-N 3.33Å; Q237-H240 WeakPolarHBondContact O-CB 3.18Å; Q237-H240 PolarHBondContact O-N 3.41Å; Q237-G241 PolarHBondContact O-N 2.82Å; Q237-S816 PolarHBondContact OE1-OG 3.03Å
238	A	97.3	Very high	97.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-77.1	-32.6	-173.6	0	0	0	0	0	113	I164 N166 N229 A231 H240 G241 F242	I164-A238 VanDerWaalsContact CD1-CA 3.49Å; I164-A238 HydrophobicContact CD1-CB 3.69Å; I164-A238 HydrophobicContact CG1-CB 4.42Å; N166-A238 PolarHBondContact ND2-O 2.97Å; N166-A238 WeakPolarHBondContact OD1-CB 3.49Å; N229-A238 WeakPolarHBondContact OD1-CB 3.38Å; A231-A238 HydrophobicContact CB-CB 3.95Å; A238-H240 VanDerWaalsContact C-N 3.26Å; A238-H240 PolarHBondContact O-N 3.2Å; A238-G241 PolarHBondContact O-N 2.98Å; A238-F242 PolarHBondContact O-N 2.93Å
239	S	97.8	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61	-38.5	169.9	58.4	0	0	0	0	111	N229 L236 F242 I243 D310 Y314	N229-S239 PolarHBondContact ND2-N 3.45Å; L236-S239 PolarHBondContact O-OG 3.17Å; L236-S239 VanDerWaalsContact O-OG 3.06Å; S239-F242 PolarHBondContact O-N 2.75Å; S239-I243 WeakPolarHBondContact O-CG2 3.4Å; S239-I243 PolarHBondContact O-N 3.17Å; S239-D310 VanDerWaalsContact CB-CG 3.47Å; S239-D310 WeakPolarHBondContact CB-OD1 3.46Å; S239-D310 PolarHBondContact OG-OD1 2.8Å; S239-Y314 WeakPolarHBondContact CB-OH 3.38Å
240	H	97.9	Very high	97	Very high	13 Å²	13	27.2 Å²	27.2	6%	0.06	14%	0.139	C	C	.	.	H	α-helix	trans	-64.3	-46	175.3	179	-72.6	0	0	0	110.5	F149 Y161 L236 Q237 A238 F242 I243 T244 I313 F317	F149-H240 WeakPolarHBondContact CB-NE2 3.42Å; F149-H240 HydrophobicContact CD1-CB 4.01Å; F149-H240 AromaticContact CD1-CD2 3.62Å; F149-H240 AromaticContact CD1-CG 3.56Å; F149-H240 AromaticContact CD1-ND1 3.95Å; F149-H240 HydrophobicContact CE1-CB 3.88Å; F149-H240 AromaticContact CE1-CG 3.97Å; F149-H240 AromaticContact CG-CD2 3.58Å; F149-H240 AromaticContact CG-NE2 3.92Å; F149-H240 HydrophobicContact CZ-CB 4.43Å; Y161-H240 AromaticContact CE1-ND1 3.92Å; Y161-H240 AromaticContact CZ-ND1 3.76Å; Y161-H240 PolarHBondContact OH-ND1 2.79Å; L236-H240 PolarHBondContact O-N 2.96Å; Q237-H240 WeakPolarHBondContact O-CB 3.18Å; Q237-H240 PolarHBondContact O-N 3.41Å; A238-H240 VanDerWaalsContact C-N 3.26Å; A238-H240 PolarHBondContact O-N 3.2Å; H240-F242 VanDerWaalsContact C-N 3.3Å; H240-F242 PolarHBondContact O-N 2.82Å; H240-I243 PolarHBondContact O-N 3.04Å; H240-T244 WeakPolarHBondContact O-CB 3.35Å; H240-T244 WeakPolarHBondContact O-CG2 3.44Å; H240-T244 PolarHBondContact O-N 3.34Å; H240-T244 VanDerWaalsContact O-N 3.13Å; H240-T244 PolarHBondContact O-OG1 3.47Å; H240-I313 VanDerWaalsContact CA-CG2 3.42Å; H240-I313 HydrophobicContact CB-CD1 4.42Å; H240-I313 HydrophobicContact CB-CG2 3.82Å; H240-F317 AromaticContact CD2-CD1 3.7Å; H240-F317 AromaticContact CD2-CE1 3.9Å; H240-F317 AromaticContact CD2-CG 3.77Å; H240-F317 AromaticContact NE2-CD1 3.54Å; H240-F317 AromaticContact NE2-CE1 3.72Å
241	G	97.8	Very high	96.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.8	-39.5	174.6	0	0	0	0	0	113.3	Q143 Y161 Q237 A238 Q245	Q143-G241 PolarHBondContact NE2-O 2.97Å; Y161-G241 WeakPolarHBondContact OH-CA 3.29Å; Y161-G241 PolarHBondContact OH-N 3.28Å; Q237-G241 PolarHBondContact O-N 2.82Å; A238-G241 PolarHBondContact O-N 2.98Å; G241-Q245 VanDerWaalsContact O-CB 3.28Å; G241-Q245 WeakPolarHBondContact O-CB 3.45Å; G241-Q245 WeakPolarHBondContact O-CG 3.13Å; G241-Q245 PolarHBondContact O-N 3.09Å
242	F	98.5	Very high	96.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.6	-57.2	175.9	176.4	-98.5	0	0	0	111.7	A168 L182 V225 L227 A238 S239 H240 T244 Q245 H246 A249 Y314	A168-F242 HydrophobicContact CB-CD2 4.48Å; A168-F242 HydrophobicContact CB-CE2 4.1Å; L182-F242 HydrophobicContact CD1-CE1 3.86Å; L182-F242 HydrophobicContact CD1-CZ 4.21Å; L182-F242 HydrophobicContact CD2-CD1 4.4Å; L182-F242 HydrophobicContact CD2-CE1 4.03Å; V225-F242 HydrophobicContact CG1-CE2 4.08Å; V225-F242 HydrophobicContact CG1-CZ 3.83Å; L227-F242 HydrophobicContact CD1-CB 4.3Å; L227-F242 HydrophobicContact CD1-CD2 3.77Å; L227-F242 HydrophobicContact CD1-CE2 4.32Å; L227-F242 HydrophobicContact CD1-CG 4.06Å; L227-F242 HydrophobicContact CD2-CB 3.65Å; L227-F242 HydrophobicContact CD2-CD1 3.72Å; L227-F242 HydrophobicContact CD2-CD2 4.09Å; L227-F242 HydrophobicContact CD2-CE1 4.4Å; L227-F242 HydrophobicContact CD2-CG 3.53Å; L227-F242 HydrophobicContact CG-CG 4.43Å; A238-F242 PolarHBondContact O-N 2.93Å; S239-F242 PolarHBondContact O-N 2.75Å; H240-F242 VanDerWaalsContact C-N 3.3Å; H240-F242 PolarHBondContact O-N 2.82Å; F242-T244 VanDerWaalsContact C-N 3.28Å; F242-T244 PolarHBondContact O-N 2.75Å; F242-Q245 PolarHBondContact O-N 3.43Å; F242-H246 HydrophobicContact CD2-CB 3.54Å; F242-H246 AromaticContact CD2-CG 3.67Å; F242-H246 HydrophobicContact CE2-CB 3.75Å; F242-H246 AromaticContact CE2-CG 3.55Å; F242-H246 AromaticContact CE2-ND1 3.72Å; F242-H246 HydrophobicContact CG-CB 4.2Å; F242-H246 WeakPolarHBondContact O-CB 3.29Å; F242-H246 PolarHBondContact O-N 3.01Å; F242-A249 HydrophobicContact CE1-CB 4.39Å; F242-Y314 HydrophobicContact CD1-CE1 4.4Å
243	I	98.1	Very high	96.7	Very high	17 Å²	17	33.8 Å²	33.8	9%	0.087	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-31.4	-169.1	-163	62.7	0	0	0	112.6	S239 H240 A249 I313 Y314 F317 G318 I320	S239-I243 WeakPolarHBondContact O-CG2 3.4Å; S239-I243 PolarHBondContact O-N 3.17Å; H240-I243 PolarHBondContact O-N 3.04Å; I243-A249 HydrophobicContact CD1-CB 4.26Å; I243-A249 WeakPolarHBondContact O-CB 3.25Å; I243-I313 HydrophobicContact CG2-CG2 3.78Å; I243-Y314 HydrophobicContact CB-CD1 3.97Å; I243-Y314 HydrophobicContact CB-CE1 4.15Å; I243-Y314 HydrophobicContact CD1-CD1 4Å; I243-Y314 HydrophobicContact CG1-CD1 4Å; I243-F317 HydrophobicContact CG2-CB 4.18Å; I243-G318 VanDerWaalsContact CG1-CA 3.44Å; I243-I320 HydrophobicContact CD1-CD1 3.65Å; I243-I320 HydrophobicContact CD1-CG1 4.36Å
244	T	97.4	Very high	96.7	Very high	66 Å²	66	32.7 Å²	32.7	41%	0.405	16%	0.161	S	C	.	.	H	α-helix	trans	-89.1	-26.2	-177.4	60.7	0	0	0	0	113.9	H240 F242 F317	H240-T244 WeakPolarHBondContact O-CB 3.35Å; H240-T244 WeakPolarHBondContact O-CG2 3.44Å; H240-T244 PolarHBondContact O-N 3.34Å; H240-T244 VanDerWaalsContact O-N 3.13Å; H240-T244 PolarHBondContact O-OG1 3.47Å; F242-T244 VanDerWaalsContact C-N 3.28Å; F242-T244 PolarHBondContact O-N 2.75Å; T244-F317 HydrophobicContact CG2-CB 4.17Å
245	Q	97.7	Very high	96.8	Very high	86 Å²	86	32.3 Å²	32.3	40%	0.402	16%	0.159	S	C	.	.	H	α-helix	trans	-120.3	-29	-168.7	-43.4	-177	13.4	0	0	114	T146 Y161 G241 F242	T146-Q245 PolarHBondContact O-NE2 3.25Å; Y161-Q245 PolarHBondContact OH-NE2 2.85Å; G241-Q245 VanDerWaalsContact O-CB 3.28Å; G241-Q245 WeakPolarHBondContact O-CB 3.45Å; G241-Q245 WeakPolarHBondContact O-CG 3.13Å; G241-Q245 PolarHBondContact O-N 3.09Å; F242-Q245 PolarHBondContact O-N 3.43Å
246	H	98.1	Very high	97	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.032	16%	0.155	C	C	.	.			trans	-73	131.8	-171.1	-164.5	-80.3	0	0	0	111.6	D141 F242 W248 A249	D141-H246 IonicContact OD2-CD2 3.37Å; D141-H246 IonicContact OD2-NE2 3.19Å; D141-H246 PolarHBondContact OD2-NE2 3.14Å; F242-H246 HydrophobicContact CD2-CB 3.54Å; F242-H246 AromaticContact CD2-CG 3.67Å; F242-H246 HydrophobicContact CE2-CB 3.75Å; F242-H246 AromaticContact CE2-CG 3.55Å; F242-H246 AromaticContact CE2-ND1 3.72Å; F242-H246 HydrophobicContact CG-CB 4.2Å; F242-H246 WeakPolarHBondContact O-CB 3.29Å; F242-H246 PolarHBondContact O-N 3.01Å; H246-W248 AromaticContact CE1-CD2 3.26Å; H246-W248 AromaticContact CE1-CE2 3.8Å; H246-W248 AromaticContact CE1-CE3 3.34Å; H246-W248 AromaticContact CE1-CG 3.47Å; H246-W248 VanDerWaalsContact CE1-CG 3.47Å; H246-W248 AromaticContact CE1-CZ3 3.93Å; H246-W248 WeakPolarHBondContact ND1-CB 3.48Å; H246-W248 AromaticContact ND1-CD2 3.9Å; H246-W248 AromaticContact ND1-CG 3.66Å; H246-W248 PolarHBondContact ND1-N 3.18Å; H246-W248 VanDerWaalsContact ND1-N 3.13Å; H246-W248 PolarHBondContact O-N 3.04Å; H246-W248 VanDerWaalsContact O-N 3.12Å; H246-A249 WeakPolarHBondContact O-CB 3.49Å; H246-A249 PolarHBondContact O-N 3.1Å
247	P	97	Very high	97.1	Very high	96 Å²	96	31.6 Å²	31.6	62%	0.623	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-57	-33.6	-177.9	-27.7	34.9	0	0	0	114.5	A249	P247-A249 VanDerWaalsContact C-N 3.32Å; P247-A249 PolarHBondContact O-N 3.5Å
248	W	97.9	Very high	97.1	Very high	36 Å²	36	31.9 Å²	31.9	14%	0.136	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-72.1	-20.7	178.1	-56.2	-16.9	0	0	0	113.8	T139 D141 A168 K170 L180 V225 H246 K250 Q251	T139-W248 HydrophobicContact CG2-CH2 3.96Å; T139-W248 HydrophobicContact CG2-CZ2 3.76Å; D141-W248 HydrophobicContact CB-CH2 3.9Å; D141-W248 HydrophobicContact CB-CZ2 4.47Å; D141-W248 HydrophobicContact CB-CZ3 4.36Å; A168-W248 HydrophobicContact CB-CE3 4.17Å; A168-W248 HydrophobicContact CB-CZ3 3.79Å; K170-W248 HydrophobicContact CB-CD2 4.13Å; K170-W248 HydrophobicContact CB-CE3 3.74Å; K170-W248 HydrophobicContact CB-CH2 3.81Å; K170-W248 HydrophobicContact CB-CZ2 4.19Å; K170-W248 HydrophobicContact CB-CZ3 3.57Å; K170-W248 HydrophobicContact CD-CD2 3.97Å; K170-W248 HydrophobicContact CD-CE3 4.4Å; K170-W248 HydrophobicContact CD-CG 4.28Å; L180-W248 HydrophobicContact CD1-CB 4.11Å; V225-W248 HydrophobicContact CG1-CE3 4.32Å; V225-W248 HydrophobicContact CG2-CB 4.35Å; V225-W248 HydrophobicContact CG2-CE3 4.18Å; H246-W248 AromaticContact CE1-CD2 3.26Å; H246-W248 AromaticContact CE1-CE2 3.8Å; H246-W248 AromaticContact CE1-CE3 3.34Å; H246-W248 AromaticContact CE1-CG 3.47Å; H246-W248 VanDerWaalsContact CE1-CG 3.47Å; H246-W248 AromaticContact CE1-CZ3 3.93Å; H246-W248 WeakPolarHBondContact ND1-CB 3.48Å; H246-W248 AromaticContact ND1-CD2 3.9Å; H246-W248 AromaticContact ND1-CG 3.66Å; H246-W248 PolarHBondContact ND1-N 3.18Å; H246-W248 VanDerWaalsContact ND1-N 3.13Å; H246-W248 PolarHBondContact O-N 3.04Å; H246-W248 VanDerWaalsContact O-N 3.12Å; W248-K250 PolarHBondContact O-N 3.34Å; W248-Q251 PolarHBondContact O-N 3.08Å
249	A	97.3	Very high	97.1	Very high	9 Å²	9	32.2 Å²	32.2	7%	0.074	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-56.8	-35.5	-178.6	0	0	0	0	0	112.3	F242 I243 H246 P247 Q251 V252	F242-A249 HydrophobicContact CE1-CB 4.39Å; I243-A249 HydrophobicContact CD1-CB 4.26Å; I243-A249 WeakPolarHBondContact O-CB 3.25Å; H246-A249 WeakPolarHBondContact O-CB 3.49Å; H246-A249 PolarHBondContact O-N 3.1Å; P247-A249 VanDerWaalsContact C-N 3.32Å; P247-A249 PolarHBondContact O-N 3.5Å; A249-Q251 PolarHBondContact O-N 3.39Å; A249-Q251 VanDerWaalsContact O-N 3.14Å; A249-V252 WeakPolarHBondContact O-CB 3.39Å; A249-V252 PolarHBondContact O-N 3.41Å
250	K	95.2	Very high	96.9	Very high	180 Å²	180	32.5 Å²	32.5	78%	0.783	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-62.9	-21.1	179.1	-61.6	-179.3	-178.7	178.5	0	114.3	W248 R253	W248-K250 PolarHBondContact O-N 3.34Å; K250-R253 PolarHBondContact O-NH1 2.93Å
251	Q	96	Very high	96.6	Very high	63 Å²	63	33.4 Å²	33.4	29%	0.294	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-94.6	-10.1	178.8	-61.6	178.1	23.9	0	0	112.6	L180 W248 A249 R253	L180-Q251 HydrophobicContact CB-CB 4.49Å; L180-Q251 HydrophobicContact CD1-CB 3.72Å; L180-Q251 HydrophobicContact CG-CB 3.82Å; L180-Q251 PolarHBondContact N-O 3.35Å; W248-Q251 PolarHBondContact O-N 3.08Å; A249-Q251 PolarHBondContact O-N 3.39Å; A249-Q251 VanDerWaalsContact O-N 3.14Å; Q251-R253 PolarHBondContact O-N 2.7Å
252	V	96.4	Very high	96.3	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	132.4	178.1	180	0	0	0	0	109.2	L180 L182 A249 I320	L180-V252 HydrophobicContact CB-CG2 4.4Å; L180-V252 WeakPolarHBondContact O-CA 3.5Å; L182-V252 HydrophobicContact CB-CG1 3.71Å; L182-V252 HydrophobicContact CB-CG2 4.34Å; A249-V252 WeakPolarHBondContact O-CB 3.39Å; A249-V252 PolarHBondContact O-N 3.41Å; V252-I320 HydrophobicContact CG1-CD1 3.69Å
253	R	94.5	Very high	95.7	Very high	85 Å²	85	34 Å²	34	32%	0.321	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-24.8	-178.8	-67.9	-64.2	-178.9	-112.2	3.5	113.7	H179 L180 K250 Q251 P321 L369	H179-R253 HydrophobicContact CB-CG 3.98Å; L180-R253 PolarHBondContact O-N 2.98Å; K250-R253 PolarHBondContact O-NH1 2.93Å; Q251-R253 PolarHBondContact O-N 2.7Å; R253-P321 WeakPolarHBondContact O-CD 3.41Å; R253-L369 HydrophobicContact CB-CD1 3.7Å; R253-L369 HydrophobicContact CB-CG 4.25Å; R253-L369 WeakPolarHBondContact CB-O 3.41Å
254	A	95.4	Very high	94.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	166.1	169.9	0	0	0	0	0	110.2	M181 L182 W278 L279 P321 L369	M181-A254 HydrophobicContact CE-CB 4.04Å; M181-A254 HydrophobicContact SD-CB 3.77Å; L182-A254 PolarHBondContact N-O 3.38Å; A254-W278 HydrophobicContact CB-CH2 3.86Å; A254-W278 HydrophobicContact CB-CZ2 3.93Å; A254-L279 HydrophobicContact CB-CD1 4.4Å; A254-L279 HydrophobicContact CB-CD2 3.99Å; A254-P321 CarbonylContact C-O 3.36Å; A254-P321 WeakPolarHBondContact CA-O 3.41Å; A254-P321 HydrophobicContact CB-CG 4.34Å; A254-P321 WeakPolarHBondContact CB-O 3.35Å; A254-L369 HydrophobicContact CB-CD1 4.22Å
255	F	96.5	Very high	94.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	159.4	-179.7	71.1	-89.1	0	0	0	114	L182 N257 F311 Y314 I320 P321 G322 I323	L182-F255 HydrophobicContact CB-CB 3.73Å; L182-F255 HydrophobicContact CD2-CB 4.04Å; L182-F255 HydrophobicContact CG-CB 4.1Å; L182-F255 CarbonylContact O-C 3.1Å; L182-F255 WeakPolarHBondContact O-CA 3.14Å; F255-N257 HydrophobicContact CD2-CB 4.1Å; F255-N257 HydrophobicContact CE2-CB 4.01Å; F255-F311 HydrophobicContact CE2-CB 4.08Å; F255-F311 AromaticContact CE2-CD2 3.42Å; F255-F311 HydrophobicContact CE2-CD2 3.42Å; F255-F311 VanDerWaalsContact CE2-CD2 3.42Å; F255-F311 HydrophobicContact CE2-CE2 4.17Å; F255-F311 AromaticContact CE2-CG 3.98Å; F255-F311 HydrophobicContact CE2-CG 3.98Å; F255-F311 HydrophobicContact CZ-CB 4.22Å; F255-F311 AromaticContact CZ-CD2 3.35Å; F255-F311 HydrophobicContact CZ-CD2 3.35Å; F255-F311 AromaticContact CZ-CE2 3.81Å; F255-F311 HydrophobicContact CZ-CE2 3.81Å; F255-F311 AromaticContact CZ-CG 3.78Å; F255-F311 HydrophobicContact CZ-CG 3.78Å; F255-Y314 HydrophobicContact CD1-CD2 4.37Å; F255-Y314 HydrophobicContact CD1-CG 4.24Å; F255-Y314 AromaticContact CD2-CD2 3.72Å; F255-Y314 HydrophobicContact CD2-CD2 3.72Å; F255-Y314 HydrophobicContact CD2-CE2 4.47Å; F255-Y314 HydrophobicContact CD2-CG 4.39Å; F255-Y314 HydrophobicContact CE1-CD2 4.41Å; F255-Y314 HydrophobicContact CE1-CG 4.26Å; F255-Y314 AromaticContact CE2-CD2 3.79Å; F255-Y314 HydrophobicContact CE2-CD2 3.79Å; F255-Y314 HydrophobicContact CE2-CG 4.43Å; F255-Y314 HydrophobicContact CG-CD2 4.03Å; F255-Y314 HydrophobicContact CG-CG 4.29Å; F255-Y314 HydrophobicContact CZ-CD2 4.13Å; F255-Y314 HydrophobicContact CZ-CG 4.36Å; F255-I320 HydrophobicContact CB-CD1 4.38Å; F255-I320 HydrophobicContact CD1-CB 4.38Å; F255-I320 HydrophobicContact CD1-CD1 3.69Å; F255-I320 HydrophobicContact CD1-CG1 3.76Å; F255-I320 HydrophobicContact CE1-CD1 4.43Å; F255-I320 HydrophobicContact CE1-CG1 4.09Å; F255-I320 VanDerWaalsContact CE1-O 3.32Å; F255-I320 WeakPolarHBondContact CE1-O 3.37Å; F255-I320 HydrophobicContact CG-CD1 4.39Å; F255-P321 VanDerWaalsContact CD1-O 3.23Å; F255-P321 WeakPolarHBondContact CD1-O 3.19Å; F255-P321 VanDerWaalsContact CE1-C 3.49Å; F255-P321 PolarHBondContact N-O 2.92Å; F255-G322 CarbonylContact O-C 3.58Å; F255-G322 WeakPolarHBondContact O-CA 3.48Å; F255-I323 PolarHBondContact O-N 3Å
256	I	97.7	Very high	94.3	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.015	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.8	164	-61.6	-176.9	0	0	0	106.6	M181 L182 A183 N184 L258 I323 L325 V359 L360 L363	M181-I256 HydrophobicContact CE-CG1 4.15Å; L182-I256 PolarHBondContact O-N 3.02Å; A183-I256 WeakPolarHBondContact CA-O 3.35Å; N184-I256 PolarHBondContact N-O 3.07Å; I256-L258 HydrophobicContact CG2-CD2 3.87Å; I256-I323 WeakPolarHBondContact CA-O 3.49Å; I256-L325 HydrophobicContact CG2-CD1 3.53Å; I256-V359 HydrophobicContact CD1-CG1 3.81Å; I256-L360 HydrophobicContact CD1-CD2 3.62Å; I256-L360 HydrophobicContact CD1-CG 3.83Å; I256-L360 HydrophobicContact CG1-CD2 4.28Å; I256-L363 HydrophobicContact CD1-CD1 4.03Å
257	N	97.9	Very high	94	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.6	175	-167.6	59.8	0	0	0	109.6	N184 F255 E259 I323 D324 L325	N184-N257 PolarHBondContact ND2-OD1 3.35Å; F255-N257 HydrophobicContact CD2-CB 4.1Å; F255-N257 HydrophobicContact CE2-CB 4.01Å; N257-E259 WeakPolarHBondContact ND2-CG 3.48Å; N257-E259 PolarHBondContact ND2-OE1 3.18Å; N257-I323 PolarHBondContact N-O 2.81Å; N257-D324 WeakPolarHBondContact CB-OD1 3.18Å; N257-D324 PolarHBondContact ND2-OD1 2.89Å; N257-L325 PolarHBondContact O-N 3Å
258	L	97.6	Very high	93.8	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.026	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.4	-178.3	-53.6	179.3	0	0	0	108.6	N184 M206 I256 L325 I356	N184-L258 WeakPolarHBondContact O-CB 3.16Å; N184-L258 PolarHBondContact O-N 3.13Å; N184-L258 VanDerWaalsContact O-N 3.08Å; M206-L258 HydrophobicContact CG-CD1 3.78Å; M206-L258 HydrophobicContact SD-CD1 3.95Å; I256-L258 HydrophobicContact CG2-CD2 3.87Å; L258-L325 HydrophobicContact CD2-CB 4.34Å; L258-L325 HydrophobicContact CD2-CD1 4.1Å; L258-I356 HydrophobicContact CD1-CD1 3.63Å; L258-I356 HydrophobicContact CD2-CD1 3.51Å; L258-I356 HydrophobicContact CD2-CG1 3.87Å; L258-I356 HydrophobicContact CG-CD1 4.23Å
259	E	95.6	Very high	93.7	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.037	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	173.8	-169.7	-68.5	-66.7	168.7	0	0	111.7	H186 N257 T309 L325 A326 F327	H186-E259 IonicContact CD2-OE2 2.73Å; H186-E259 IonicContact NE2-OE2 2.65Å; N257-E259 WeakPolarHBondContact ND2-CG 3.48Å; N257-E259 PolarHBondContact ND2-OE1 3.18Å; E259-T309 HydrophobicContact CG-CG2 3.81Å; E259-L325 PolarHBondContact N-O 3.12Å; E259-A326 HydrophobicContact CB-CB 4.05Å; E259-A326 VanDerWaalsContact O-CA 3.23Å; E259-A326 WeakPolarHBondContact O-CA 3.12Å; E259-F327 PolarHBondContact O-N 3.49Å; E259-F327 VanDerWaalsContact O-N 3.17Å
260	A	94.8	Very high	93.3	Very high	5 Å²	5	20.9 Å²	20.9	4%	0.041	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.8	163.5	0	0	0	0	0	112.4	S197 D198 F327 Y334	S197-A260 WeakPolarHBondContact O-CB 3.31Å; D198-A260 HydrophobicContact CB-CB 4.43Å; A260-F327 HydrophobicContact CB-CB 4.16Å; A260-Y334 WeakPolarHBondContact O-CE2 3.24Å
261	A	91.1	Very high	92.9	Very high	33 Å²	33	12.4 Å²	12.4	27%	0.273	6%	0.063	S	C	.	.	S	Bend	trans	-128.3	13.6	163	0	0	0	0	0	110.9	F327 G331	A261-F327 CarbonylContact C-O 3.34Å; A261-F327 PolarHBondContact N-O 3.08Å; A261-G331 VanDerWaalsContact O-CA 3.3Å; A261-G331 WeakPolarHBondContact O-CA 3.38Å
262	G	91.4	Very high	92.5	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-159.9	-151.4	-165	0	0	0	0	0	111.3	S197 F327 E329	S197-G262 VanDerWaalsContact CB-O 3.23Å; S197-G262 WeakPolarHBondContact CB-O 3.22Å; S197-G262 PolarHBondContact OG-O 2.85Å; G262-F327 WeakPolarHBondContact CA-O 3.43Å; G262-F327 PolarHBondContact N-O 2.67Å; G262-E329 CarbonylContact C-O 3.55Å; G262-E329 WeakPolarHBondContact CA-O 3.43Å
263	V	86.9	Confident	91.2	Very high	13 Å²	13	10.2 Å²	10.2	8%	0.079	6%	0.055	C	C	.	.	S	Bend	trans	-141.4	88.8	-169.5	-167.2	0	0	0	0	110	E329 N330 I333 R343 I344	V263-E329 PolarHBondContact N-O 2.87Å; V263-N330 HydrophobicContact CG2-CB 4.35Å; V263-I333 HydrophobicContact CB-CD1 4.19Å; V263-I333 HydrophobicContact CB-CG1 4.47Å; V263-I333 HydrophobicContact CG1-CD1 4.02Å; V263-I333 HydrophobicContact CG2-CD1 3.15Å; V263-I333 HydrophobicContact CG2-CG1 3.08Å; V263-R343 HydrophobicContact CG1-CB 3.8Å; V263-I344 HydrophobicContact CG1-CG1 3.99Å
264	G	80.4	Confident	90	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	55.5	-141.7	-177.7	0	0	0	0	0	112.6	S197 F327	S197-G264 PolarHBondContact OG-N 2.94Å; G264-F327 VanDerWaalsContact CA-CD1 3.43Å; G264-F327 WeakPolarHBondContact O-CB 3.5Å; G264-F327 WeakPolarHBondContact O-CD1 3.3Å
265	G	90.1	Very high	89.2	Confident	3 Å²	3	13.3 Å²	13.3	3%	0.031	8%	0.079	C	C	.	.	S	Bend	trans	80.1	-143	-171.2	0	0	0	0	0	110.1	F327 E329 S348	G265-F327 WeakPolarHBondContact O-CE1 3.29Å; G265-E329 WeakPolarHBondContact CA-OE1 3.29Å; G265-S348 PolarHBondContact N-OG 2.55Å
266	K	91.9	Very high	88.4	Confident	2 Å²	2	13.9 Å²	13.9	1%	0.009	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-90	127	172.2	-55.4	-178.5	-178	-177.2	0	110.5	S74 Q77 L78 V268 F291 E329	S74-K266 VanDerWaalsContact O-CE 3.28Å; S74-K266 WeakPolarHBondContact O-CE 3.32Å; S74-K266 PolarHBondContact O-NZ 2.9Å; S74-K266 PolarHBondContact OG-NZ 2.87Å; Q77-K266 VanDerWaalsContact O-CE 3.25Å; Q77-K266 WeakPolarHBondContact O-CE 3.45Å; L78-K266 HydrophobicContact CD2-CG 3.75Å; K266-V268 PolarHBondContact O-N 3.14Å; K266-F291 HydrophobicContact CB-CB 4.35Å; K266-F291 HydrophobicContact CB-CD1 3.24Å; K266-F291 HydrophobicContact CB-CE1 3.59Å; K266-F291 HydrophobicContact CB-CG 3.93Å; K266-F291 HydrophobicContact CD-CD1 4.33Å; K266-F291 HydrophobicContact CD-CG 4.31Å; K266-F291 HydrophobicContact CG-CD1 4.42Å; K266-F291 WeakPolarHBondContact O-CE1 3.29Å; K266-E329 PolarHBondContact N-OE1 3.47Å; K266-E329 VanDerWaalsContact N-OE1 3.13Å
267	E	92.8	Very high	87.7	Confident	5 Å²	5	14.2 Å²	14.2	2%	0.023	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	116.7	170.2	73.1	-63.6	171.7	0	0	110.2	F291 L325 A326 F327 R351 A352 N355	E267-F291 WeakPolarHBondContact O-CD1 3.28Å; E267-L325 HydrophobicContact CG-CD2 4.02Å; E267-A326 CarbonylContact C-O 3.27Å; E267-A326 WeakPolarHBondContact CA-O 3.46Å; E267-F327 HydrophobicContact CB-CD1 3.9Å; E267-F327 HydrophobicContact CB-CE1 3.79Å; E267-F327 HydrophobicContact CB-CZ 4.41Å; E267-R351 WeakPolarHBondContact OE2-CD 3.2Å; E267-R351 IonicContact OE2-NE 3.02Å; E267-A352 HydrophobicContact CG-CB 4.3Å; E267-N355 PolarHBondContact OE1-ND2 3.27Å
268	V	93.4	Very high	87.2	Confident	7 Å²	7	14.4 Å²	14.4	4%	0.042	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.9	-178	63.1	0	0	0	0	109.8	K266 F270 F291 L325 A326 I328	K266-V268 PolarHBondContact O-N 3.14Å; V268-F270 HydrophobicContact CG1-CB 4.28Å; V268-F270 HydrophobicContact CG1-CD1 4.4Å; V268-F270 WeakPolarHBondContact O-CD1 3.46Å; V268-F270 PolarHBondContact O-N 2.82Å; V268-F291 HydrophobicContact CB-CD1 3.64Å; V268-F291 HydrophobicContact CB-CE1 3.56Å; V268-F291 HydrophobicContact CB-CG 4.41Å; V268-F291 HydrophobicContact CB-CZ 4.19Å; V268-F291 HydrophobicContact CG2-CD1 4.19Å; V268-F291 HydrophobicContact CG2-CE1 4.11Å; V268-F291 HydrophobicContact CG2-CZ 4.29Å; V268-L325 WeakPolarHBondContact O-CA 3.17Å; V268-A326 PolarHBondContact N-O 3.4Å; V268-A326 PolarHBondContact O-N 2.79Å; V268-I328 HydrophobicContact CG1-CD1 4.13Å; V268-I328 HydrophobicContact CG1-CG1 4.23Å; V268-I328 HydrophobicContact CG1-CG2 3.66Å
269	V	94	Very high	86.9	Confident	3 Å²	3	14.2 Å²	14.2	2%	0.018	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	108.8	161.9	177.7	0	0	0	0	108.2	T272 Y283 F291 A292 S293 I323 D324 L325 F382	V269-T272 HydrophobicContact CG1-CG2 3.85Å; V269-Y283 HydrophobicContact CG2-CD1 4.15Å; V269-Y283 HydrophobicContact CG2-CD2 3.87Å; V269-Y283 HydrophobicContact CG2-CE1 3.77Å; V269-Y283 HydrophobicContact CG2-CE2 3.45Å; V269-Y283 VanDerWaalsContact CG2-CE2 3.45Å; V269-Y283 HydrophobicContact CG2-CG 4.2Å; V269-F291 PolarHBondContact N-O 3.46Å; V269-A292 HydrophobicContact CB-CB 3.81Å; V269-A292 HydrophobicContact CG2-CB 4.36Å; V269-S293 PolarHBondContact O-N 2.97Å; V269-I323 HydrophobicContact CB-CG2 4.43Å; V269-I323 HydrophobicContact CG1-CG2 3.64Å; V269-I323 HydrophobicContact CG2-CG2 3.96Å; V269-D324 WeakPolarHBondContact CA-O 3.19Å; V269-L325 HydrophobicContact CG2-CD2 3.73Å; V269-L325 HydrophobicContact CG2-CG 3.91Å; V269-F382 HydrophobicContact CG1-CE2 4.33Å
270	F	88.8	Confident	86.7	Confident	20 Å²	20	14.2 Å²	14.2	9%	0.088	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-11.3	-177	71.1	-76.5	0	0	0	113.2	V268 Q297 F300 T309 D324 A326	V268-F270 HydrophobicContact CG1-CB 4.28Å; V268-F270 HydrophobicContact CG1-CD1 4.4Å; V268-F270 WeakPolarHBondContact O-CD1 3.46Å; V268-F270 PolarHBondContact O-N 2.82Å; F270-Q297 WeakPolarHBondContact O-CA 3.43Å; F270-Q297 WeakPolarHBondContact O-CB 3.48Å; F270-Q297 PolarHBondContact O-N 3.47Å; F270-F300 HydrophobicContact CD2-CB 4.31Å; F270-F300 HydrophobicContact CD2-CD1 4.44Å; F270-F300 AromaticContact CD2-CD2 3.87Å; F270-F300 HydrophobicContact CD2-CD2 3.87Å; F270-F300 HydrophobicContact CD2-CE2 4.29Å; F270-F300 AromaticContact CD2-CG 3.95Å; F270-F300 HydrophobicContact CD2-CG 3.95Å; F270-F300 HydrophobicContact CE2-CD1 4.28Å; F270-F300 AromaticContact CE2-CD2 3.81Å; F270-F300 HydrophobicContact CE2-CD2 3.81Å; F270-F300 HydrophobicContact CE2-CE1 4.25Å; F270-F300 AromaticContact CE2-CE2 3.74Å; F270-F300 HydrophobicContact CE2-CE2 3.74Å; F270-F300 HydrophobicContact CE2-CG 4.07Å; F270-F300 AromaticContact CE2-CZ 3.97Å; F270-F300 HydrophobicContact CE2-CZ 3.97Å; F270-T309 HydrophobicContact CZ-CG2 4.21Å; F270-D324 HydrophobicContact CE1-CB 3.93Å; F270-D324 HydrophobicContact CZ-CB 4Å; F270-D324 VanDerWaalsContact CZ-CG 3.46Å; F270-D324 VanDerWaalsContact CZ-OD2 3.26Å; F270-D324 WeakPolarHBondContact CZ-OD2 3.4Å; F270-D324 PolarHBondContact N-O 3.25Å; F270-A326 HydrophobicContact CD1-CB 3.85Å; F270-A326 HydrophobicContact CE1-CB 3.37Å; F270-A326 HydrophobicContact CZ-CB 4.12Å
271	Q	88.1	Confident	86.5	Confident	2 Å²	2	17.5 Å²	17.5	1%	0.009	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.9	167.5	-65.8	171.6	-115.2	0	0	111.8	F300 F311 D324	Q271-F300 VanDerWaalsContact CD-CD1 3.45Å; Q271-F300 HydrophobicContact CG-CD1 4.04Å; Q271-F311 HydrophobicContact CB-CD2 4.26Å; Q271-F311 HydrophobicContact CB-CE1 4.21Å; Q271-F311 HydrophobicContact CB-CE2 3.91Å; Q271-F311 HydrophobicContact CB-CZ 3.87Å; Q271-D324 HydrophobicContact CB-CB 3.73Å; Q271-D324 PolarHBondContact O-N 3.45Å; Q271-D324 PolarHBondContact OE1-OD2 2.91Å
272	T	87.1	Confident	86.5	Confident	17 Å²	17	16.1 Å²	16.1	10%	0.104	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.8	171	61.2	0	0	0	0	109.1	V269 V280 Q297 G322 F382	V269-T272 HydrophobicContact CG1-CG2 3.85Å; T272-V280 HydrophobicContact CG2-CG2 3.97Å; T272-Q297 PolarHBondContact OG1-OE1 2.9Å; T272-G322 CarbonylContact C-O 3.57Å; T272-G322 WeakPolarHBondContact CA-O 3.25Å; T272-F382 HydrophobicContact CG2-CE1 4.25Å; T272-F382 HydrophobicContact CG2-CZ 4Å
273	G	68.9	Low	86.6	Confident	3 Å²	3	16.6 Å²	16.6	3%	0.031	9%	0.089	C	C	.	.			trans	-64.8	138.7	-173.5	0	0	0	0	0	111.3	G322	G273-G322 PolarHBondContact N-O 3.4Å
274	P	70.4	Confident	86.9	Confident	67 Å²	67	18 Å²	18	44%	0.435	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	145	-150.7	24.1	-34.1	0	0	0	112.3	N276	P274-N276 PolarHBondContact O-N 3.03Å; P274-N276 VanDerWaalsContact O-N 3.1Å; P274-N276 PolarHBondContact O-ND2 3.23Å
275	E	77.1	Confident	87.4	Confident	84 Å²	84	25.1 Å²	25.1	39%	0.393	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	18.1	173.8	-50.7	-176.8	144.2	0	0	116.1	P277 R376 H377	E275-P277 WeakPolarHBondContact O-CD 3.13Å; E275-R376 CarbonylContact O-C 3.6Å; E275-R376 WeakPolarHBondContact O-CA 3.28Å; E275-R376 IonicContact OE2-CZ 3.72Å; E275-R376 IonicContact OE2-NE 3.99Å; E275-R376 PolarHBondContact OE2-NE 3.06Å; E275-R376 IonicContact OE2-NH2 2.58Å; E275-R376 PolarHBondContact OE2-NH2 2.94Å; E275-H377 PolarHBondContact O-N 3.44Å
276	N	80.8	Confident	87.6	Confident	12 Å²	12	25.8 Å²	25.8	6%	0.064	14%	0.136	C	C	.	.			trans	-109.8	72.7	-178.7	-79.2	-89.8	0	0	0	112.3	P274 W278 L279 P321	P274-N276 PolarHBondContact O-N 3.03Å; P274-N276 VanDerWaalsContact O-N 3.1Å; P274-N276 PolarHBondContact O-ND2 3.23Å; N276-W278 PolarHBondContact O-N 2.91Å; N276-W278 VanDerWaalsContact O-N 3.12Å; N276-W278 PolarHBondContact OD1-NE1 3.28Å; N276-L279 HydrophobicContact CB-CD1 4.01Å; N276-L279 HydrophobicContact CB-CG 4.39Å; N276-L279 PolarHBondContact O-N 3.28Å; N276-P321 HydrophobicContact CB-CB 3.77Å; N276-P321 HydrophobicContact CB-CG 4.29Å; N276-P321 WeakPolarHBondContact ND2-CB 3Å
277	P	83.3	Confident	87.7	Confident	10 Å²	10	26.3 Å²	26.3	7%	0.065	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-23.9	-175.6	25.9	-35.4	0	0	0	113.5	E275 L279 V280 Q281 Y375 H377 G378 M380	E275-P277 WeakPolarHBondContact O-CD 3.13Å; P277-L279 VanDerWaalsContact C-N 3.31Å; P277-L279 PolarHBondContact O-N 3.44Å; P277-V280 PolarHBondContact O-N 2.84Å; P277-Q281 VanDerWaalsContact O-CG 3.29Å; P277-Q281 WeakPolarHBondContact O-CG 3.4Å; P277-Q281 PolarHBondContact O-N 2.89Å; P277-Y375 WeakPolarHBondContact CD-O 3.5Å; P277-Y375 WeakPolarHBondContact CG-O 3.42Å; P277-H377 HydrophobicContact CG-CB 3.92Å; P277-G378 WeakPolarHBondContact CD-O 3.2Å; P277-M380 VanDerWaalsContact CA-CG 3.44Å; P277-M380 HydrophobicContact CB-CE 4.41Å; P277-M380 HydrophobicContact CB-CG 3.3Å; P277-M380 HydrophobicContact CB-SD 3.3Å; P277-M380 WeakPolarHBondContact CB-SD 3.45Å
278	W	87.4	Confident	87.7	Confident	4 Å²	4	29.3 Å²	29.3	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-66.9	-30.2	179.9	70.7	-88.6	0	0	0	112.8	A254 N276 Q281 A282 L363 K368 L369	A254-W278 HydrophobicContact CB-CH2 3.86Å; A254-W278 HydrophobicContact CB-CZ2 3.93Å; N276-W278 PolarHBondContact O-N 2.91Å; N276-W278 VanDerWaalsContact O-N 3.12Å; N276-W278 PolarHBondContact OD1-NE1 3.28Å; W278-Q281 PolarHBondContact O-N 3.43Å; W278-A282 VanDerWaalsContact O-CB 3.32Å; W278-A282 WeakPolarHBondContact O-CB 3.21Å; W278-A282 PolarHBondContact O-N 3.32Å; W278-L363 HydrophobicContact CE3-CD2 4.08Å; W278-L363 HydrophobicContact CH2-CD2 4.16Å; W278-L363 HydrophobicContact CZ3-CD2 3.37Å; W278-K368 HydrophobicContact CB-CD 4.07Å; W278-K368 HydrophobicContact CE3-CB 4.13Å; W278-L369 HydrophobicContact CH2-CD1 3.91Å
279	L	91.2	Very high	87.7	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-67.8	-44.5	174.8	-74	174	0	0	0	111.2	A254 N276 P277 Q281 A282 Y283 P321 I323 L363	A254-L279 HydrophobicContact CB-CD1 4.4Å; A254-L279 HydrophobicContact CB-CD2 3.99Å; N276-L279 HydrophobicContact CB-CD1 4.01Å; N276-L279 HydrophobicContact CB-CG 4.39Å; N276-L279 PolarHBondContact O-N 3.28Å; P277-L279 VanDerWaalsContact C-N 3.31Å; P277-L279 PolarHBondContact O-N 3.44Å; L279-Q281 VanDerWaalsContact C-N 3.32Å; L279-Q281 PolarHBondContact O-N 3.39Å; L279-A282 WeakPolarHBondContact O-CB 3.34Å; L279-A282 PolarHBondContact O-N 3.19Å; L279-Y283 PolarHBondContact O-N 3.48Å; L279-P321 HydrophobicContact CD1-CB 3.81Å; L279-P321 HydrophobicContact CD1-CG 4.21Å; L279-I323 HydrophobicContact CB-CD1 4.18Å; L279-I323 HydrophobicContact CB-CG1 4.09Å; L279-L363 HydrophobicContact CD2-CD2 3.96Å
280	V	90.4	Very high	87.6	Confident	7 Å²	7	29.5 Å²	29.5	4%	0.042	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-45.3	174.7	-175.4	0	0	0	0	110.3	T272 P277 A282 Y283 V284 M380 F382 A392	T272-V280 HydrophobicContact CG2-CG2 3.97Å; P277-V280 PolarHBondContact O-N 2.84Å; V280-A282 PolarHBondContact O-N 2.84Å; V280-Y283 PolarHBondContact O-N 3.42Å; V280-V284 WeakPolarHBondContact O-CG2 3.21Å; V280-V284 PolarHBondContact O-N 2.99Å; V280-M380 HydrophobicContact CB-CB 4.34Å; V280-M380 HydrophobicContact CB-CG 4.2Å; V280-M380 HydrophobicContact CG1-CB 4.23Å; V280-M380 HydrophobicContact CG2-CB 4.16Å; V280-M380 HydrophobicContact CG2-CG 4.19Å; V280-F382 HydrophobicContact CG1-CB 3.6Å; V280-F382 HydrophobicContact CG1-CD1 3.89Å; V280-F382 HydrophobicContact CG1-CG 3.8Å; V280-F382 HydrophobicContact CG2-CD1 4.3Å; V280-A392 HydrophobicContact CG1-CB 3.88Å
281	Q	90.5	Very high	87.8	Confident	75 Å²	75	28.7 Å²	28.7	35%	0.35	15%	0.151	S	C	.	.	H	α-helix	trans	-62.5	-41.6	176.9	-71.2	170	9.8	0	0	112.2	P277 W278 L279 V284 H285 M380	P277-Q281 VanDerWaalsContact O-CG 3.29Å; P277-Q281 WeakPolarHBondContact O-CG 3.4Å; P277-Q281 PolarHBondContact O-N 2.89Å; W278-Q281 PolarHBondContact O-N 3.43Å; L279-Q281 VanDerWaalsContact C-N 3.32Å; L279-Q281 PolarHBondContact O-N 3.39Å; Q281-V284 PolarHBondContact O-N 2.97Å; Q281-H285 VanDerWaalsContact O-CB 3.22Å; Q281-H285 WeakPolarHBondContact O-CB 3.42Å; Q281-H285 PolarHBondContact O-N 2.67Å; Q281-M380 HydrophobicContact CG-CE 4.02Å
282	A	92.1	Very high	88	Confident	4 Å²	4	28.7 Å²	28.7	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-45.6	175.8	0	0	0	0	0	111.1	W278 L279 V280 H285 A286 L363	W278-A282 VanDerWaalsContact O-CB 3.32Å; W278-A282 WeakPolarHBondContact O-CB 3.21Å; W278-A282 PolarHBondContact O-N 3.32Å; L279-A282 WeakPolarHBondContact O-CB 3.34Å; L279-A282 PolarHBondContact O-N 3.19Å; V280-A282 PolarHBondContact O-N 2.84Å; A282-H285 PolarHBondContact O-N 3.08Å; A282-A286 WeakPolarHBondContact O-CB 3.25Å; A282-A286 PolarHBondContact O-N 2.69Å; A282-L363 HydrophobicContact CB-CD2 3.49Å; A282-L363 VanDerWaalsContact CB-CD2 3.49Å; A282-L363 HydrophobicContact CB-CG 4.2Å
283	Y	93.6	Very high	88.3	Confident	9 Å²	9	28.3 Å²	28.3	4%	0.035	15%	0.15	C	C	.	.	H	α-helix	trans	-60.7	-52.2	175.1	-178.7	-91.7	0	0	0	111.7	V269 L279 V280 H285 A286 A287 P290 F291 A292 L325 V359	V269-Y283 HydrophobicContact CG2-CD1 4.15Å; V269-Y283 HydrophobicContact CG2-CD2 3.87Å; V269-Y283 HydrophobicContact CG2-CE1 3.77Å; V269-Y283 HydrophobicContact CG2-CE2 3.45Å; V269-Y283 VanDerWaalsContact CG2-CE2 3.45Å; V269-Y283 HydrophobicContact CG2-CG 4.2Å; L279-Y283 PolarHBondContact O-N 3.48Å; V280-Y283 PolarHBondContact O-N 3.42Å; Y283-H285 PolarHBondContact O-N 2.86Å; Y283-A286 PolarHBondContact O-N 2.76Å; Y283-A287 HydrophobicContact CD1-CB 4.28Å; Y283-A287 HydrophobicContact CD2-CB 4.12Å; Y283-A287 HydrophobicContact CE1-CB 4.03Å; Y283-A287 HydrophobicContact CE2-CB 3.85Å; Y283-A287 HydrophobicContact CG-CB 4.32Å; Y283-A287 WeakPolarHBondContact O-CB 3.43Å; Y283-A287 PolarHBondContact O-N 3.27Å; Y283-P290 HydrophobicContact CE1-CB 4.27Å; Y283-F291 PolarHBondContact OH-N 3.19Å; Y283-F291 PolarHBondContact OH-O 3.02Å; Y283-A292 HydrophobicContact CE1-CB 4.11Å; Y283-L325 HydrophobicContact CE2-CD2 3.97Å; Y283-V359 HydrophobicContact CD2-CG2 3.9Å; Y283-V359 HydrophobicContact CE2-CG2 4.48Å
284	V	91.7	Very high	89.4	Confident	44 Å²	44	28.2 Å²	28.2	27%	0.267	15%	0.149	S	C	.	.	H	α-helix	trans	-59.6	-33	-179.8	168.5	0	0	0	0	112.6	V280 Q281 A390 A392	V280-V284 WeakPolarHBondContact O-CG2 3.21Å; V280-V284 PolarHBondContact O-N 2.99Å; Q281-V284 PolarHBondContact O-N 2.97Å; V284-A390 HydrophobicContact CB-CB 4.17Å; V284-A390 HydrophobicContact CG1-CB 3.85Å; V284-A390 HydrophobicContact CG2-CB 3.72Å; V284-A392 HydrophobicContact CB-CB 4.41Å; V284-A392 HydrophobicContact CG2-CB 3.69Å
285	H	92.1	Very high	90.4	Very high	148 Å²	148	26.5 Å²	26.5	69%	0.685	14%	0.137	S	C	*	.	H	α-helix	trans	-80.7	-38.9	179.7	-174.7	72.5	0	0	0	113.3	Q281 A282 Y283 H362	Q281-H285 VanDerWaalsContact O-CB 3.22Å; Q281-H285 WeakPolarHBondContact O-CB 3.42Å; Q281-H285 PolarHBondContact O-N 2.67Å; A282-H285 PolarHBondContact O-N 3.08Å; Y283-H285 PolarHBondContact O-N 2.86Å; H285-H362 AromaticContact CD2-CE1 3.53Å; H285-H362 AromaticContact CD2-ND1 3.83Å
286	A	94.3	Very high	91	Very high	17 Å²	17	23.5 Å²	23.5	14%	0.14	13%	0.128	C	C	.	.	H	α-helix	trans	-101.1	-27.1	-168.7	0	0	0	0	0	114.2	A282 Y283 K288 A358 V359 H362	A282-A286 WeakPolarHBondContact O-CB 3.25Å; A282-A286 PolarHBondContact O-N 2.69Å; Y283-A286 PolarHBondContact O-N 2.76Å; A286-K288 PolarHBondContact O-N 3.17Å; A286-A358 WeakPolarHBondContact O-CB 2.83Å; A286-V359 HydrophobicContact CB-CG2 4.13Å; A286-H362 HydrophobicContact CB-CB 3.6Å
287	A	93.9	Very high	91.5	Very high	14 Å²	14	23.8 Å²	23.8	12%	0.116	13%	0.13	C	C	.	.			trans	-61.9	123.9	-179.6	0	0	0	0	0	110.5	Y283 H289 P290 N355 V359	Y283-A287 HydrophobicContact CD1-CB 4.28Å; Y283-A287 HydrophobicContact CD2-CB 4.12Å; Y283-A287 HydrophobicContact CE1-CB 4.03Å; Y283-A287 HydrophobicContact CE2-CB 3.85Å; Y283-A287 HydrophobicContact CG-CB 4.32Å; Y283-A287 WeakPolarHBondContact O-CB 3.43Å; Y283-A287 PolarHBondContact O-N 3.27Å; A287-H289 VanDerWaalsContact C-N 3.31Å; A287-P290 HydrophobicContact CB-CB 4.48Å; A287-N355 WeakPolarHBondContact CA-OD1 3.08Å; A287-V359 HydrophobicContact CB-CG2 4.17Å
288	K	93.3	Very high	92	Very high	67 Å²	67	25 Å²	25	29%	0.291	13%	0.134	S	C	.	.	S	Bend	trans	-71.9	-30.1	178.2	-67.7	-179.6	178.6	168.6	0	111.5	S84 E86 A286 D354 N355 A358	S84-K288 PolarHBondContact OG-NZ 2.92Å; E86-K288 IonicContact OE2-NZ 2.68Å; E86-K288 PolarHBondContact OE2-NZ 2.73Å; A286-K288 PolarHBondContact O-N 3.17Å; K288-D354 HydrophobicContact CB-CB 4.33Å; K288-D354 HydrophobicContact CD-CB 3.9Å; K288-N355 PolarHBondContact N-OD1 2.95Å; K288-A358 HydrophobicContact CD-CB 4.46Å; K288-A358 HydrophobicContact CG-CB 4.18Å
289	H	93.2	Very high	92.1	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.019	15%	0.148	C	C	.	.	S	Bend	trans	-134.5	71.5	-175.4	-47.7	-70.8	0	0	0	110.1	I80 A287 R351 D354 N355	I80-H289 PolarHBondContact N-CE1 3.23Å; I80-H289 PolarHBondContact N-ND1 3.42Å; I80-H289 PolarHBondContact O-CE1 3.48Å; A287-H289 VanDerWaalsContact C-N 3.31Å; H289-R351 HydrophobicContact CB-CG 3.58Å; H289-R351 VanDerWaalsContact CB-CZ 3.49Å; H289-R351 VanDerWaalsContact O-CZ 3.29Å; H289-R351 PolarHBondContact O-NH2 2.84Å; H289-D354 IonicContact CD2-OD2 3.99Å; H289-D354 IonicContact CE1-OD2 3.07Å; H289-D354 IonicContact NE2-OD2 3.28Å; H289-D354 PolarHBondContact NE2-OD2 3.25Å; H289-N355 PolarHBondContact N-OD1 2.91Å; H289-N355 PolarHBondContact O-ND2 2.93Å
290	P	91.8	Very high	91.9	Very high	11 Å²	11	28.4 Å²	28.4	7%	0.071	15%	0.153	C	C	.	.			trans	-63.8	139.9	-171.4	24.5	-33.6	0	0	0	113.1	Y283 A287 R351 G387 A390	Y283-P290 HydrophobicContact CE1-CB 4.27Å; A287-P290 HydrophobicContact CB-CB 4.48Å; P290-R351 PolarHBondContact O-NH2 3.02Å; P290-G387 CarbonylContact O-C 3.42Å; P290-G387 VanDerWaalsContact O-CA 3.25Å; P290-G387 WeakPolarHBondContact O-CA 3.38Å; P290-A390 HydrophobicContact CB-CB 3.68Å; P290-A390 HydrophobicContact CG-CB 4.13Å
291	F	92.9	Very high	91.7	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	17%	0.173	C	C	.	.			trans	-151.6	109.3	167.7	-175.9	-139	0	0	0	109	K266 E267 V268 V269 Y283 D384 F578 V582	K266-F291 HydrophobicContact CB-CB 4.35Å; K266-F291 HydrophobicContact CB-CD1 3.24Å; K266-F291 HydrophobicContact CB-CE1 3.59Å; K266-F291 HydrophobicContact CB-CG 3.93Å; K266-F291 HydrophobicContact CD-CD1 4.33Å; K266-F291 HydrophobicContact CD-CG 4.31Å; K266-F291 HydrophobicContact CG-CD1 4.42Å; K266-F291 WeakPolarHBondContact O-CE1 3.29Å; E267-F291 WeakPolarHBondContact O-CD1 3.28Å; V268-F291 HydrophobicContact CB-CD1 3.64Å; V268-F291 HydrophobicContact CB-CE1 3.56Å; V268-F291 HydrophobicContact CB-CG 4.41Å; V268-F291 HydrophobicContact CB-CZ 4.19Å; V268-F291 HydrophobicContact CG2-CD1 4.19Å; V268-F291 HydrophobicContact CG2-CE1 4.11Å; V268-F291 HydrophobicContact CG2-CZ 4.29Å; V269-F291 PolarHBondContact N-O 3.46Å; Y283-F291 PolarHBondContact OH-N 3.19Å; Y283-F291 PolarHBondContact OH-O 3.02Å; F291-D384 VanDerWaalsContact CD2-OD2 3.24Å; F291-D384 WeakPolarHBondContact CD2-OD2 3.17Å; F291-F578 HydrophobicContact CD2-CE1 4.31Å; F291-F578 AromaticContact CD2-CZ 3.82Å; F291-F578 HydrophobicContact CD2-CZ 3.82Å; F291-F578 AromaticContact CE2-CE1 3.69Å; F291-F578 HydrophobicContact CE2-CE1 3.69Å; F291-F578 HydrophobicContact CE2-CE2 4.21Å; F291-F578 AromaticContact CE2-CZ 3.22Å; F291-F578 HydrophobicContact CE2-CZ 3.22Å; F291-F578 HydrophobicContact CZ-CZ 4.17Å; F291-V582 HydrophobicContact CZ-CG2 4.37Å
292	A	92.1	Very high	91.6	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.025	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-151.9	141.5	-168.8	0	0	0	0	0	111.1	V269 Y283 F382 F383 D384	V269-A292 HydrophobicContact CB-CB 3.81Å; V269-A292 HydrophobicContact CG2-CB 4.36Å; Y283-A292 HydrophobicContact CE1-CB 4.11Å; A292-F382 HydrophobicContact CB-CD2 3.82Å; A292-F382 HydrophobicContact CB-CE2 4.14Å; A292-F383 CarbonylContact O-C 3.57Å; A292-F383 VanDerWaalsContact O-CA 3.27Å; A292-F383 WeakPolarHBondContact O-CA 3.44Å; A292-D384 PolarHBondContact N-OD2 3.09Å; A292-D384 PolarHBondContact O-N 3.06Å; A292-D384 VanDerWaalsContact O-N 3.09Å
293	S	92.2	Very high	91.1	Very high	9 Å²	9	35.1 Å²	35.1	6%	0.063	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-143.9	109.1	-177.1	-176.4	0	0	0	0	112.7	V269 V295 G296 Q297	V269-S293 PolarHBondContact O-N 2.97Å; S293-V295 PolarHBondContact O-N 3.33Å; S293-V295 PolarHBondContact OG-N 3.23Å; S293-G296 WeakPolarHBondContact O-CA 3.33Å; S293-G296 PolarHBondContact O-N 2.94Å; S293-G296 VanDerWaalsContact O-N 3.08Å; S293-G296 PolarHBondContact OG-N 3.17Å; S293-G296 VanDerWaalsContact OG-N 3.08Å; S293-Q297 PolarHBondContact O-N 2.72Å
294	V	92.8	Very high	90.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-24.5	170.2	72.5	0	0	0	0	112.5	Q297 E298 F382 C529 Y532	V294-Q297 PolarHBondContact O-N 2.96Å; V294-E298 PolarHBondContact O-N 2.86Å; V294-F382 HydrophobicContact CB-CD1 4.08Å; V294-F382 HydrophobicContact CB-CD2 4.45Å; V294-F382 HydrophobicContact CB-CE1 3.98Å; V294-F382 HydrophobicContact CB-CE2 4.36Å; V294-F382 HydrophobicContact CB-CG 4.33Å; V294-F382 HydrophobicContact CB-CZ 4.12Å; V294-F382 WeakPolarHBondContact CB-O 3.44Å; V294-F382 WeakPolarHBondContact CG1-O 3.46Å; V294-F382 HydrophobicContact CG2-CD1 4.27Å; V294-F382 HydrophobicContact CG2-CE1 3.97Å; V294-F382 HydrophobicContact CG2-CZ 4.42Å; V294-F382 PolarHBondContact N-O 3.02Å; V294-C529 HydrophobicContact CG1-CB 4.45Å; V294-C529 HydrophobicContact CG2-CB 3.48Å; V294-C529 VanDerWaalsContact CG2-CB 3.48Å; V294-Y532 HydrophobicContact CG1-CD1 3.98Å; V294-Y532 HydrophobicContact CG1-CE1 3.5Å
295	V	92.3	Very high	90.2	Very high	31 Å²	31	38.1 Å²	38.1	19%	0.188	23%	0.225	C	C	.	.	H	α-helix	trans	-67.1	-43.5	171.7	178.9	0	0	0	0	109.8	S293 Q297 E298 V299 Y532 V533 L579	S293-V295 PolarHBondContact O-N 3.33Å; S293-V295 PolarHBondContact OG-N 3.23Å; V295-Q297 VanDerWaalsContact C-N 3.29Å; V295-Q297 PolarHBondContact O-N 3.22Å; V295-E298 PolarHBondContact O-N 3.01Å; V295-V299 HydrophobicContact CG1-CG2 4.44Å; V295-V299 WeakPolarHBondContact O-CB 3.49Å; V295-V299 VanDerWaalsContact O-CG2 3.28Å; V295-V299 WeakPolarHBondContact O-CG2 3.23Å; V295-V299 PolarHBondContact O-N 2.54Å; V295-Y532 HydrophobicContact CG2-CE1 4.12Å; V295-V533 HydrophobicContact CG2-CG2 3.9Å; V295-L579 HydrophobicContact CB-CD2 4.37Å; V295-L579 HydrophobicContact CG2-CD1 4.3Å; V295-L579 HydrophobicContact CG2-CD2 4.33Å
296	G	89.3	Confident	89.5	Confident	20 Å²	20	34.4 Å²	34.4	21%	0.206	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-43.5	172.9	0	0	0	0	0	111.6	S293 V299 F300	S293-G296 WeakPolarHBondContact O-CA 3.33Å; S293-G296 PolarHBondContact O-N 2.94Å; S293-G296 VanDerWaalsContact O-N 3.08Å; S293-G296 PolarHBondContact OG-N 3.17Å; S293-G296 VanDerWaalsContact OG-N 3.08Å; G296-V299 PolarHBondContact O-N 3.47Å; G296-F300 WeakPolarHBondContact O-CB 3.29Å; G296-F300 PolarHBondContact O-N 3.42Å
297	Q	91.6	Very high	89	Confident	19 Å²	19	35.9 Å²	35.9	9%	0.089	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-51.6	175.6	-175.2	178.6	-67.6	0	0	113.5	F270 T272 S293 V294 V295 V299 F300 Q301 F382	F270-Q297 WeakPolarHBondContact O-CA 3.43Å; F270-Q297 WeakPolarHBondContact O-CB 3.48Å; F270-Q297 PolarHBondContact O-N 3.47Å; T272-Q297 PolarHBondContact OG1-OE1 2.9Å; S293-Q297 PolarHBondContact O-N 2.72Å; V294-Q297 PolarHBondContact O-N 2.96Å; V295-Q297 VanDerWaalsContact C-N 3.29Å; V295-Q297 PolarHBondContact O-N 3.22Å; Q297-V299 VanDerWaalsContact C-N 3.31Å; Q297-V299 PolarHBondContact O-N 3.36Å; Q297-F300 PolarHBondContact O-N 3Å; Q297-Q301 HydrophobicContact CG-CG 4.3Å; Q297-Q301 VanDerWaalsContact O-CB 3.29Å; Q297-Q301 WeakPolarHBondContact O-CB 3.43Å; Q297-Q301 VanDerWaalsContact O-CG 3.23Å; Q297-Q301 WeakPolarHBondContact O-CG 3.33Å; Q297-Q301 PolarHBondContact O-N 2.59Å; Q297-F382 HydrophobicContact CB-CZ 4.39Å
298	E	92.4	Very high	88.7	Confident	35 Å²	35	36.4 Å²	36.4	16%	0.164	22%	0.223	C	C	.	.	H	α-helix	trans	-66.4	-34.4	-179.3	-71.1	178.1	177	0	0	112.2	V294 V295 S302 L528 C529 S530	V294-E298 PolarHBondContact O-N 2.86Å; V295-E298 PolarHBondContact O-N 3.01Å; E298-S302 WeakPolarHBondContact O-CB 2.9Å; E298-S302 PolarHBondContact O-N 3.18Å; E298-S302 VanDerWaalsContact O-N 3.07Å; E298-L528 HydrophobicContact CG-CD2 4.41Å; E298-L528 WeakPolarHBondContact OE1-CA 3.05Å; E298-C529 WeakPolarHBondContact OE1-CA 3.25Å; E298-C529 WeakPolarHBondContact OE1-CB 3.45Å; E298-C529 PolarHBondContact OE1-N 3.01Å; E298-S530 PolarHBondContact OE1-N 2.83Å; E298-S530 VanDerWaalsContact OE1-N 3.14Å; E298-S530 WeakPolarHBondContact OE2-CB 3.27Å; E298-S530 PolarHBondContact OE2-N 2.92Å; E298-S530 PolarHBondContact OE2-OG 3.05Å
299	V	89.8	Confident	88.7	Confident	49 Å²	49	33.5 Å²	33.5	30%	0.297	21%	0.212	S	C	.	.	H	α-helix	trans	-67.3	-45.6	175.2	170.9	0	0	0	0	111	V295 G296 Q297 S302 I305 F587	V295-V299 HydrophobicContact CG1-CG2 4.44Å; V295-V299 WeakPolarHBondContact O-CB 3.49Å; V295-V299 VanDerWaalsContact O-CG2 3.28Å; V295-V299 WeakPolarHBondContact O-CG2 3.23Å; V295-V299 PolarHBondContact O-N 2.54Å; G296-V299 PolarHBondContact O-N 3.47Å; Q297-V299 VanDerWaalsContact C-N 3.31Å; Q297-V299 PolarHBondContact O-N 3.36Å; V299-S302 WeakPolarHBondContact O-CB 3.49Å; V299-S302 PolarHBondContact O-N 3.06Å; V299-S302 PolarHBondContact O-OG 3.36Å; V299-I305 HydrophobicContact CG1-CD1 4.01Å; V299-I305 HydrophobicContact CG1-CG1 4.35Å; V299-F587 HydrophobicContact CG1-CE2 4.43Å; V299-F587 HydrophobicContact CG1-CZ 4.42Å
300	F	86.8	Confident	88.8	Confident	27 Å²	27	33.3 Å²	33.3	12%	0.118	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-48.4	177.8	-167.5	-86.4	0	0	0	111.2	F270 Q271 G296 Q297 S302 G303 I305 S307	F270-F300 HydrophobicContact CD2-CB 4.31Å; F270-F300 HydrophobicContact CD2-CD1 4.44Å; F270-F300 AromaticContact CD2-CD2 3.87Å; F270-F300 HydrophobicContact CD2-CD2 3.87Å; F270-F300 HydrophobicContact CD2-CE2 4.29Å; F270-F300 AromaticContact CD2-CG 3.95Å; F270-F300 HydrophobicContact CD2-CG 3.95Å; F270-F300 HydrophobicContact CE2-CD1 4.28Å; F270-F300 AromaticContact CE2-CD2 3.81Å; F270-F300 HydrophobicContact CE2-CD2 3.81Å; F270-F300 HydrophobicContact CE2-CE1 4.25Å; F270-F300 AromaticContact CE2-CE2 3.74Å; F270-F300 HydrophobicContact CE2-CE2 3.74Å; F270-F300 HydrophobicContact CE2-CG 4.07Å; F270-F300 AromaticContact CE2-CZ 3.97Å; F270-F300 HydrophobicContact CE2-CZ 3.97Å; Q271-F300 VanDerWaalsContact CD-CD1 3.45Å; Q271-F300 HydrophobicContact CG-CD1 4.04Å; G296-F300 WeakPolarHBondContact O-CB 3.29Å; G296-F300 PolarHBondContact O-N 3.42Å; Q297-F300 PolarHBondContact O-N 3Å; F300-S302 PolarHBondContact O-N 3.45Å; F300-S302 VanDerWaalsContact O-N 3.15Å; F300-G303 PolarHBondContact O-N 3.05Å; F300-G303 VanDerWaalsContact O-N 3.13Å; F300-I305 HydrophobicContact CD2-CB 4.44Å; F300-I305 HydrophobicContact CD2-CD1 4.43Å; F300-I305 HydrophobicContact CD2-CG2 4.39Å; F300-I305 HydrophobicContact CE2-CG2 4.39Å; F300-S307 WeakPolarHBondContact CZ-O 3.46Å
301	Q	87.9	Confident	88.9	Confident	98 Å²	98	32.9 Å²	32.9	46%	0.458	21%	0.208	S	C	.	.	H	α-helix	trans	-65.1	-17.7	178.8	-69.8	175.9	-10.6	0	0	113.9	Q297 G303	Q297-Q301 HydrophobicContact CG-CG 4.3Å; Q297-Q301 VanDerWaalsContact O-CB 3.29Å; Q297-Q301 WeakPolarHBondContact O-CB 3.43Å; Q297-Q301 VanDerWaalsContact O-CG 3.23Å; Q297-Q301 WeakPolarHBondContact O-CG 3.33Å; Q297-Q301 PolarHBondContact O-N 2.59Å; Q301-G303 PolarHBondContact O-N 3.03Å
302	S	86.5	Confident	88.9	Confident	74 Å²	74	34.2 Å²	34.2	52%	0.517	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-14.8	175.4	76.8	0	0	0	0	114.1	E298 V299 F300 V304	E298-S302 WeakPolarHBondContact O-CB 2.9Å; E298-S302 PolarHBondContact O-N 3.18Å; E298-S302 VanDerWaalsContact O-N 3.07Å; V299-S302 WeakPolarHBondContact O-CB 3.49Å; V299-S302 PolarHBondContact O-N 3.06Å; V299-S302 PolarHBondContact O-OG 3.36Å; F300-S302 PolarHBondContact O-N 3.45Å; F300-S302 VanDerWaalsContact O-N 3.15Å; S302-V304 VanDerWaalsContact C-N 3.27Å; S302-V304 PolarHBondContact O-N 3.13Å; S302-V304 PolarHBondContact OG-N 3.49Å
303	G	83.1	Confident	89.1	Confident	55 Å²	55	34.1 Å²	34.1	57%	0.567	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	3.9	-176	0	0	0	0	0	114.8	F300 Q301 I305	F300-G303 PolarHBondContact O-N 3.05Å; F300-G303 VanDerWaalsContact O-N 3.13Å; Q301-G303 PolarHBondContact O-N 3.03Å; G303-I305 PolarHBondContact O-N 3.46Å
304	V	82.8	Confident	89.2	Confident	93 Å²	93	33.7 Å²	33.7	56%	0.564	21%	0.209	S	C	*	.			trans	-63.6	-31.4	173.7	158.6	0	0	0	0	112.1	S302 P306 F587	S302-V304 VanDerWaalsContact C-N 3.27Å; S302-V304 PolarHBondContact O-N 3.13Å; S302-V304 PolarHBondContact OG-N 3.49Å; V304-P306 WeakPolarHBondContact O-CD 3.17Å; V304-F587 HydrophobicContact CG1-CE1 3.86Å; V304-F587 HydrophobicContact CG1-CZ 3.75Å
305	I	82.9	Confident	89.2	Confident	24 Å²	24	37.1 Å²	37.1	12%	0.123	22%	0.222	C	C	.	.	S	Bend	trans	-92.9	111.2	171.5	-59.5	177.1	0	0	0	106.3	V299 F300 G303 S307 I586 I590	V299-I305 HydrophobicContact CG1-CD1 4.01Å; V299-I305 HydrophobicContact CG1-CG1 4.35Å; F300-I305 HydrophobicContact CD2-CB 4.44Å; F300-I305 HydrophobicContact CD2-CD1 4.43Å; F300-I305 HydrophobicContact CD2-CG2 4.39Å; F300-I305 HydrophobicContact CE2-CG2 4.39Å; G303-I305 PolarHBondContact O-N 3.46Å; I305-S307 PolarHBondContact O-N 2.95Å; I305-I586 HydrophobicContact CD1-CG2 4.03Å; I305-I590 HydrophobicContact CG1-CD1 4.44Å; I305-I590 HydrophobicContact CG2-CD1 4.16Å
306	P	77.4	Confident	89.2	Confident	70 Å²	70	39.3 Å²	39.3	46%	0.455	23%	0.232	S	C	.	.			trans	-79.9	66	-178.1	34.3	-36	0	0	0	110.1	L154 V304	L154-P306 HydrophobicContact CD2-CB 4.4Å; V304-P306 WeakPolarHBondContact O-CD 3.17Å
307	S	83.9	Confident	89.5	Confident	48 Å²	48	42.1 Å²	42.1	34%	0.336	24%	0.239	S	C	.	.			trans	-138.5	152.4	-178.9	-161.2	0	0	0	0	109.4	F300 I305	F300-S307 WeakPolarHBondContact CZ-O 3.46Å; I305-S307 PolarHBondContact O-N 2.95Å
308	D	87.7	Confident	89.6	Confident	24 Å²	24	42.4 Å²	42.4	13%	0.128	25%	0.246	C	C	.	.			trans	-138	169.3	174	-137.3	-32	0	0	0	109	F153 L236 R312	F153-D308 HydrophobicContact CD2-CB 4.18Å; F153-D308 HydrophobicContact CE2-CB 3.9Å; F153-D308 HydrophobicContact CZ-CB 4.26Å; L236-D308 HydrophobicContact CD1-CB 4.27Å; D308-R312 VanDerWaalsContact CG-CD 3.43Å; D308-R312 WeakPolarHBondContact OD1-CB 3.16Å; D308-R312 WeakPolarHBondContact OD1-CD 3.25Å; D308-R312 WeakPolarHBondContact OD2-CD 3.37Å; D308-R312 IonicContact OD2-CZ 3.51Å; D308-R312 IonicContact OD2-NE 3.71Å; D308-R312 IonicContact OD2-NH1 2.73Å; D308-R312 PolarHBondContact OD2-NH1 2.84Å
309	T	92.8	Very high	89.5	Confident	7 Å²	7	47 Å²	47	4%	0.043	27%	0.272	C	S	.	.			trans	-145.8	169.1	179.5	66	0	0	0	0	109.7	L236 E259 F270 F311 R312 D324	L236-T309 WeakPolarHBondContact CD1-O 3.34Å; E259-T309 HydrophobicContact CG-CG2 3.81Å; F270-T309 HydrophobicContact CZ-CG2 4.21Å; T309-F311 PolarHBondContact O-N 3.44Å; T309-F311 WeakPolarHBondContact OG1-CB 3.49Å; T309-F311 PolarHBondContact OG1-N 2.79Å; T309-R312 PolarHBondContact O-N 3.14Å; T309-D324 PolarHBondContact OG1-OD2 3.4Å
310	D	95.4	Very high	89.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.2	-22	175.9	-80	-31.9	0	0	0	113	N184 N229 S239 R312 I313 Y314	N184-D310 PolarHBondContact ND2-OD2 2.95Å; N229-D310 VanDerWaalsContact ND2-CG 3.29Å; N229-D310 PolarHBondContact ND2-OD1 2.98Å; N229-D310 VanDerWaalsContact ND2-OD1 3.17Å; N229-D310 PolarHBondContact ND2-OD2 3.05Å; S239-D310 VanDerWaalsContact CB-CG 3.47Å; S239-D310 WeakPolarHBondContact CB-OD1 3.46Å; S239-D310 PolarHBondContact OG-OD1 2.8Å; D310-R312 PolarHBondContact O-N 3.05Å; D310-I313 PolarHBondContact O-N 3.28Å; D310-Y314 HydrophobicContact CB-CD2 4.46Å; D310-Y314 HydrophobicContact CB-CE2 3.86Å; D310-Y314 WeakPolarHBondContact O-CD2 3.41Å; D310-Y314 PolarHBondContact O-N 3.07Å
311	F	94.6	Very high	89.8	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-50.2	-41.8	171.7	179.7	-80.5	0	0	0	112.6	F255 Q271 T309 I313 Y314 R315 D324	F255-F311 HydrophobicContact CE2-CB 4.08Å; F255-F311 AromaticContact CE2-CD2 3.42Å; F255-F311 HydrophobicContact CE2-CD2 3.42Å; F255-F311 VanDerWaalsContact CE2-CD2 3.42Å; F255-F311 HydrophobicContact CE2-CE2 4.17Å; F255-F311 AromaticContact CE2-CG 3.98Å; F255-F311 HydrophobicContact CE2-CG 3.98Å; F255-F311 HydrophobicContact CZ-CB 4.22Å; F255-F311 AromaticContact CZ-CD2 3.35Å; F255-F311 HydrophobicContact CZ-CD2 3.35Å; F255-F311 AromaticContact CZ-CE2 3.81Å; F255-F311 HydrophobicContact CZ-CE2 3.81Å; F255-F311 AromaticContact CZ-CG 3.78Å; F255-F311 HydrophobicContact CZ-CG 3.78Å; Q271-F311 HydrophobicContact CB-CD2 4.26Å; Q271-F311 HydrophobicContact CB-CE1 4.21Å; Q271-F311 HydrophobicContact CB-CE2 3.91Å; Q271-F311 HydrophobicContact CB-CZ 3.87Å; T309-F311 PolarHBondContact O-N 3.44Å; T309-F311 WeakPolarHBondContact OG1-CB 3.49Å; T309-F311 PolarHBondContact OG1-N 2.79Å; F311-I313 VanDerWaalsContact C-N 3.31Å; F311-I313 PolarHBondContact O-N 2.8Å; F311-Y314 PolarHBondContact O-N 2.85Å; F311-R315 HydrophobicContact CE1-CB 4.38Å; F311-R315 WeakPolarHBondContact O-CB 3.23Å; F311-R315 PolarHBondContact O-N 3.06Å; F311-D324 HydrophobicContact CB-CB 4.3Å; F311-D324 VanDerWaalsContact CB-OD2 3.3Å; F311-D324 WeakPolarHBondContact CB-OD2 3.17Å; F311-D324 HydrophobicContact CD2-CB 3.67Å; F311-D324 HydrophobicContact CE2-CB 4.31Å; F311-D324 HydrophobicContact CG-CB 4.22Å
312	R	92.8	Very high	90.1	Very high	31 Å²	31	40.1 Å²	40.1	12%	0.117	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-42.2	179.5	172.2	172	-172.7	176	1.3	111.3	D152 L236 D308 T309 D310 R315 D316	D152-R312 PolarHBondContact O-NH1 3.36Å; D152-R312 PolarHBondContact O-NH2 2.93Å; L236-R312 HydrophobicContact CD1-CB 4.44Å; D308-R312 VanDerWaalsContact CG-CD 3.43Å; D308-R312 WeakPolarHBondContact OD1-CB 3.16Å; D308-R312 WeakPolarHBondContact OD1-CD 3.25Å; D308-R312 WeakPolarHBondContact OD2-CD 3.37Å; D308-R312 IonicContact OD2-CZ 3.51Å; D308-R312 IonicContact OD2-NE 3.71Å; D308-R312 IonicContact OD2-NH1 2.73Å; D308-R312 PolarHBondContact OD2-NH1 2.84Å; T309-R312 PolarHBondContact O-N 3.14Å; D310-R312 PolarHBondContact O-N 3.05Å; R312-R315 PolarHBondContact O-N 2.82Å; R312-D316 VanDerWaalsContact CG-OD2 3.24Å; R312-D316 WeakPolarHBondContact CG-OD2 3.39Å; R312-D316 IonicContact NE-OD2 3.97Å; R312-D316 PolarHBondContact NE-OD2 2.69Å; R312-D316 WeakPolarHBondContact O-CB 3.32Å; R312-D316 PolarHBondContact O-N 3.45Å
313	I	95.5	Very high	90.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.8	-45.8	-178.6	-65.5	-55.2	0	0	0	111	F149 L236 H240 I243 D310 F311 R315 F317 G318	F149-I313 HydrophobicContact CD2-CD1 4.35Å; F149-I313 HydrophobicContact CE2-CD1 3.82Å; F149-I313 HydrophobicContact CZ-CD1 4.19Å; L236-I313 HydrophobicContact CB-CD1 3.94Å; L236-I313 HydrophobicContact CB-CG1 3.41Å; L236-I313 VanDerWaalsContact CB-CG1 3.41Å; L236-I313 HydrophobicContact CD1-CD1 4.1Å; L236-I313 HydrophobicContact CD1-CG1 3.78Å; L236-I313 HydrophobicContact CG-CG1 4.23Å; H240-I313 VanDerWaalsContact CA-CG2 3.42Å; H240-I313 HydrophobicContact CB-CD1 4.42Å; H240-I313 HydrophobicContact CB-CG2 3.82Å; I243-I313 HydrophobicContact CG2-CG2 3.78Å; D310-I313 PolarHBondContact O-N 3.28Å; F311-I313 VanDerWaalsContact C-N 3.31Å; F311-I313 PolarHBondContact O-N 2.8Å; I313-R315 VanDerWaalsContact C-N 3.31Å; I313-R315 PolarHBondContact O-N 2.72Å; I313-F317 HydrophobicContact CD1-CD2 3.84Å; I313-F317 HydrophobicContact CD1-CE2 3.73Å; I313-F317 HydrophobicContact CG2-CD2 4.3Å; I313-F317 WeakPolarHBondContact O-CA 3.3Å; I313-F317 WeakPolarHBondContact O-CB 3.29Å; I313-F317 PolarHBondContact O-N 3.32Å; I313-G318 PolarHBondContact O-N 3.5Å
314	Y	95.6	Very high	91.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-37.5	176.2	-61.8	-44.3	0	0	0	112.6	L182 N184 L227 S239 F242 I243 F255 D310 F311 G318 N319 I320	L182-Y314 HydrophobicContact CD2-CD1 3.91Å; L182-Y314 HydrophobicContact CD2-CD2 4.37Å; L182-Y314 HydrophobicContact CD2-CE1 3.52Å; L182-Y314 HydrophobicContact CD2-CE2 4.01Å; L182-Y314 HydrophobicContact CD2-CG 4.34Å; N184-Y314 HydrophobicContact CB-CE2 4.03Å; N184-Y314 PolarHBondContact OD1-OH 2.94Å; L227-Y314 VanDerWaalsContact CD2-OH 3.25Å; L227-Y314 WeakPolarHBondContact CD2-OH 3.09Å; S239-Y314 WeakPolarHBondContact CB-OH 3.38Å; F242-Y314 HydrophobicContact CD1-CE1 4.4Å; I243-Y314 HydrophobicContact CB-CD1 3.97Å; I243-Y314 HydrophobicContact CB-CE1 4.15Å; I243-Y314 HydrophobicContact CD1-CD1 4Å; I243-Y314 HydrophobicContact CG1-CD1 4Å; F255-Y314 HydrophobicContact CD1-CD2 4.37Å; F255-Y314 HydrophobicContact CD1-CG 4.24Å; F255-Y314 AromaticContact CD2-CD2 3.72Å; F255-Y314 HydrophobicContact CD2-CD2 3.72Å; F255-Y314 HydrophobicContact CD2-CE2 4.47Å; F255-Y314 HydrophobicContact CD2-CG 4.39Å; F255-Y314 HydrophobicContact CE1-CD2 4.41Å; F255-Y314 HydrophobicContact CE1-CG 4.26Å; F255-Y314 AromaticContact CE2-CD2 3.79Å; F255-Y314 HydrophobicContact CE2-CD2 3.79Å; F255-Y314 HydrophobicContact CE2-CG 4.43Å; F255-Y314 HydrophobicContact CG-CD2 4.03Å; F255-Y314 HydrophobicContact CG-CG 4.29Å; F255-Y314 HydrophobicContact CZ-CD2 4.13Å; F255-Y314 HydrophobicContact CZ-CG 4.36Å; D310-Y314 HydrophobicContact CB-CD2 4.46Å; D310-Y314 HydrophobicContact CB-CE2 3.86Å; D310-Y314 WeakPolarHBondContact O-CD2 3.41Å; D310-Y314 PolarHBondContact O-N 3.07Å; F311-Y314 PolarHBondContact O-N 2.85Å; Y314-G318 CarbonylContact O-C 3.59Å; Y314-G318 WeakPolarHBondContact O-CA 3.26Å; Y314-G318 PolarHBondContact O-N 3Å; Y314-N319 PolarHBondContact O-N 3.47Å; Y314-N319 VanDerWaalsContact O-N 3.1Å; Y314-I320 HydrophobicContact CD1-CD1 4.19Å; Y314-I320 HydrophobicContact CG-CD1 4.22Å; Y314-I320 VanDerWaalsContact O-CG1 3.24Å; Y314-I320 WeakPolarHBondContact O-CG1 3.41Å; Y314-I320 PolarHBondContact O-N 3.36Å
315	R	92.8	Very high	91.7	Very high	74 Å²	74	30 Å²	30	28%	0.279	16%	0.163	S	C	.	.	H	α-helix	trans	-67.5	-52.8	175.6	-176.1	-169.1	70.6	-153.6	-4.7	112.1	F311 R312 I313 N319	F311-R315 HydrophobicContact CE1-CB 4.38Å; F311-R315 WeakPolarHBondContact O-CB 3.23Å; F311-R315 PolarHBondContact O-N 3.06Å; R312-R315 PolarHBondContact O-N 2.82Å; I313-R315 VanDerWaalsContact C-N 3.31Å; I313-R315 PolarHBondContact O-N 2.72Å; R315-N319 VanDerWaalsContact O-CA 3.29Å; R315-N319 WeakPolarHBondContact O-CA 3.33Å; R315-N319 PolarHBondContact O-N 2.9Å
316	D	92.4	Very high	92.2	Very high	77 Å²	77	29.1 Å²	29.1	41%	0.412	16%	0.159	S	C	.	.	H	α-helix	trans	-84.6	-38.8	-167	-67.3	-7.3	0	0	0	112.1	R312	R312-D316 VanDerWaalsContact CG-OD2 3.24Å; R312-D316 WeakPolarHBondContact CG-OD2 3.39Å; R312-D316 IonicContact NE-OD2 3.97Å; R312-D316 PolarHBondContact NE-OD2 2.69Å; R312-D316 WeakPolarHBondContact O-CB 3.32Å; R312-D316 PolarHBondContact O-N 3.45Å
317	F	94.4	Very high	93.1	Very high	79 Å²	79	26 Å²	26	35%	0.346	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-26.8	-178.3	-61.9	-91.8	0	0	0	112.9	F149 I151 H240 I243 T244 I313	F149-F317 HydrophobicContact CB-CE1 3.94Å; F149-F317 HydrophobicContact CB-CZ 3.87Å; F149-F317 HydrophobicContact CD2-CE2 4.2Å; F149-F317 AromaticContact CD2-CZ 3.92Å; F149-F317 HydrophobicContact CD2-CZ 3.92Å; F149-F317 HydrophobicContact CG-CZ 4.24Å; I151-F317 HydrophobicContact CG2-CE2 4.22Å; I151-F317 HydrophobicContact CG2-CZ 4.41Å; H240-F317 AromaticContact CD2-CD1 3.7Å; H240-F317 AromaticContact CD2-CE1 3.9Å; H240-F317 AromaticContact CD2-CG 3.77Å; H240-F317 AromaticContact NE2-CD1 3.54Å; H240-F317 AromaticContact NE2-CE1 3.72Å; I243-F317 HydrophobicContact CG2-CB 4.18Å; T244-F317 HydrophobicContact CG2-CB 4.17Å; I313-F317 HydrophobicContact CD1-CD2 3.84Å; I313-F317 HydrophobicContact CD1-CE2 3.73Å; I313-F317 HydrophobicContact CG2-CD2 4.3Å; I313-F317 WeakPolarHBondContact O-CA 3.3Å; I313-F317 WeakPolarHBondContact O-CB 3.29Å; I313-F317 PolarHBondContact O-N 3.32Å
318	G	93.3	Very high	93.5	Very high	24 Å²	24	24.3 Å²	24.3	25%	0.247	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-22.4	176.6	0	0	0	0	0	114.9	I243 I313 Y314 I320	I243-G318 VanDerWaalsContact CG1-CA 3.44Å; I313-G318 PolarHBondContact O-N 3.5Å; Y314-G318 CarbonylContact O-C 3.59Å; Y314-G318 WeakPolarHBondContact O-CA 3.26Å; Y314-G318 PolarHBondContact O-N 3Å; G318-I320 PolarHBondContact O-N 2.85Å
319	N	91.3	Very high	93.8	Very high	132 Å²	132	25.1 Å²	25.1	71%	0.706	13%	0.128	S	C	*	.			trans	48.8	35.6	-169.2	-167.2	30.4	0	0	0	112.7	Y314 R315	Y314-N319 PolarHBondContact O-N 3.47Å; Y314-N319 VanDerWaalsContact O-N 3.1Å; R315-N319 VanDerWaalsContact O-CA 3.29Å; R315-N319 WeakPolarHBondContact O-CA 3.33Å; R315-N319 PolarHBondContact O-N 2.9Å
320	I	91	Very high	93.8	Very high	17 Å²	17	26.7 Å²	26.7	9%	0.087	14%	0.136	C	C	.	.			trans	-106.4	142	177.5	51.1	169.3	0	0	0	109.8	I243 V252 F255 Y314 G318	I243-I320 HydrophobicContact CD1-CD1 3.65Å; I243-I320 HydrophobicContact CD1-CG1 4.36Å; V252-I320 HydrophobicContact CG1-CD1 3.69Å; F255-I320 HydrophobicContact CB-CD1 4.38Å; F255-I320 HydrophobicContact CD1-CB 4.38Å; F255-I320 HydrophobicContact CD1-CD1 3.69Å; F255-I320 HydrophobicContact CD1-CG1 3.76Å; F255-I320 HydrophobicContact CE1-CD1 4.43Å; F255-I320 HydrophobicContact CE1-CG1 4.09Å; F255-I320 VanDerWaalsContact CE1-O 3.32Å; F255-I320 WeakPolarHBondContact CE1-O 3.37Å; F255-I320 HydrophobicContact CG-CD1 4.39Å; Y314-I320 HydrophobicContact CD1-CD1 4.19Å; Y314-I320 HydrophobicContact CG-CD1 4.22Å; Y314-I320 VanDerWaalsContact O-CG1 3.24Å; Y314-I320 WeakPolarHBondContact O-CG1 3.41Å; Y314-I320 PolarHBondContact O-N 3.36Å; G318-I320 PolarHBondContact O-N 2.85Å
321	P	92	Very high	93.7	Very high	13 Å²	13	26.8 Å²	26.8	8%	0.084	14%	0.137	C	C	.	.			trans	-84.5	153.8	174.6	34.8	-35.8	0	0	0	111.5	R253 A254 F255 N276 L279	R253-P321 WeakPolarHBondContact O-CD 3.41Å; A254-P321 CarbonylContact C-O 3.36Å; A254-P321 WeakPolarHBondContact CA-O 3.41Å; A254-P321 HydrophobicContact CB-CG 4.34Å; A254-P321 WeakPolarHBondContact CB-O 3.35Å; F255-P321 VanDerWaalsContact CD1-O 3.23Å; F255-P321 WeakPolarHBondContact CD1-O 3.19Å; F255-P321 VanDerWaalsContact CE1-C 3.49Å; F255-P321 PolarHBondContact N-O 2.92Å; N276-P321 HydrophobicContact CB-CB 3.77Å; N276-P321 HydrophobicContact CB-CG 4.29Å; N276-P321 WeakPolarHBondContact ND2-CB 3Å; L279-P321 HydrophobicContact CD1-CB 3.81Å; L279-P321 HydrophobicContact CD1-CG 4.21Å
322	G	93.6	Very high	93.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	-175.9	177.7	0	0	0	0	0	114.5	F255 T272 G273	F255-G322 CarbonylContact O-C 3.58Å; F255-G322 WeakPolarHBondContact O-CA 3.48Å; T272-G322 CarbonylContact C-O 3.57Å; T272-G322 WeakPolarHBondContact CA-O 3.25Å; G273-G322 PolarHBondContact N-O 3.4Å
323	I	95.3	Very high	93.8	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131	175.3	-53.9	177.1	0	0	0	107.1	F255 I256 N257 V269 L279 L325	F255-I323 PolarHBondContact O-N 3Å; I256-I323 WeakPolarHBondContact CA-O 3.49Å; N257-I323 PolarHBondContact N-O 2.81Å; V269-I323 HydrophobicContact CB-CG2 4.43Å; V269-I323 HydrophobicContact CG1-CG2 3.64Å; V269-I323 HydrophobicContact CG2-CG2 3.96Å; L279-I323 HydrophobicContact CB-CD1 4.18Å; L279-I323 HydrophobicContact CB-CG1 4.09Å; I323-L325 HydrophobicContact CB-CD1 4.33Å; I323-L325 HydrophobicContact CG2-CD1 3.73Å; I323-L325 HydrophobicContact CG2-CG 4.21Å
324	D	95.1	Very high	93.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.5	174.8	-149.6	-0.9	0	0	0	110.3	N257 V269 F270 Q271 T309 F311	N257-D324 WeakPolarHBondContact CB-OD1 3.18Å; N257-D324 PolarHBondContact ND2-OD1 2.89Å; V269-D324 WeakPolarHBondContact CA-O 3.19Å; F270-D324 HydrophobicContact CE1-CB 3.93Å; F270-D324 HydrophobicContact CZ-CB 4Å; F270-D324 VanDerWaalsContact CZ-CG 3.46Å; F270-D324 VanDerWaalsContact CZ-OD2 3.26Å; F270-D324 WeakPolarHBondContact CZ-OD2 3.4Å; F270-D324 PolarHBondContact N-O 3.25Å; Q271-D324 HydrophobicContact CB-CB 3.73Å; Q271-D324 PolarHBondContact O-N 3.45Å; Q271-D324 PolarHBondContact OE1-OD2 2.91Å; T309-D324 PolarHBondContact OG1-OD2 3.4Å; F311-D324 HydrophobicContact CB-CB 4.3Å; F311-D324 VanDerWaalsContact CB-OD2 3.3Å; F311-D324 WeakPolarHBondContact CB-OD2 3.17Å; F311-D324 HydrophobicContact CD2-CB 3.67Å; F311-D324 HydrophobicContact CE2-CB 4.31Å; F311-D324 HydrophobicContact CG-CB 4.22Å
325	L	95.3	Very high	93.7	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.037	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.6	-177.4	-60.1	98.3	0	0	0	110.4	I256 N257 L258 E259 E267 V268 V269 Y283 I323	I256-L325 HydrophobicContact CG2-CD1 3.53Å; N257-L325 PolarHBondContact O-N 3Å; L258-L325 HydrophobicContact CD2-CB 4.34Å; L258-L325 HydrophobicContact CD2-CD1 4.1Å; E259-L325 PolarHBondContact N-O 3.12Å; E267-L325 HydrophobicContact CG-CD2 4.02Å; V268-L325 WeakPolarHBondContact O-CA 3.17Å; V269-L325 HydrophobicContact CG2-CD2 3.73Å; V269-L325 HydrophobicContact CG2-CG 3.91Å; Y283-L325 HydrophobicContact CE2-CD2 3.97Å; I323-L325 HydrophobicContact CB-CD1 4.33Å; I323-L325 HydrophobicContact CG2-CD1 3.73Å; I323-L325 HydrophobicContact CG2-CG 4.21Å
326	A	95.1	Very high	93.8	Very high	5 Å²	5	26.2 Å²	26.2	4%	0.041	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.4	178.4	0	0	0	0	0	113.7	E259 E267 V268 F270 I328	E259-A326 HydrophobicContact CB-CB 4.05Å; E259-A326 VanDerWaalsContact O-CA 3.23Å; E259-A326 WeakPolarHBondContact O-CA 3.12Å; E267-A326 CarbonylContact C-O 3.27Å; E267-A326 WeakPolarHBondContact CA-O 3.46Å; V268-A326 PolarHBondContact N-O 3.4Å; V268-A326 PolarHBondContact O-N 2.79Å; F270-A326 HydrophobicContact CD1-CB 3.85Å; F270-A326 HydrophobicContact CE1-CB 3.37Å; F270-A326 HydrophobicContact CZ-CB 4.12Å; A326-I328 HydrophobicContact CB-CG2 4.37Å
327	F	95.5	Very high	93.9	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.022	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	124.1	160.5	-69.5	-55.7	0	0	0	110.3	V201 E259 A260 A261 G262 G264 G265 E267 A352	V201-F327 HydrophobicContact CG1-CD2 4.11Å; V201-F327 HydrophobicContact CG1-CE2 3.83Å; V201-F327 HydrophobicContact CG2-CE2 4.35Å; E259-F327 PolarHBondContact O-N 3.49Å; E259-F327 VanDerWaalsContact O-N 3.17Å; A260-F327 HydrophobicContact CB-CB 4.16Å; A261-F327 CarbonylContact C-O 3.34Å; A261-F327 PolarHBondContact N-O 3.08Å; G262-F327 WeakPolarHBondContact CA-O 3.43Å; G262-F327 PolarHBondContact N-O 2.67Å; G264-F327 VanDerWaalsContact CA-CD1 3.43Å; G264-F327 WeakPolarHBondContact O-CB 3.5Å; G264-F327 WeakPolarHBondContact O-CD1 3.3Å; G265-F327 WeakPolarHBondContact O-CE1 3.29Å; E267-F327 HydrophobicContact CB-CD1 3.9Å; E267-F327 HydrophobicContact CB-CE1 3.79Å; E267-F327 HydrophobicContact CB-CZ 4.41Å; F327-A352 HydrophobicContact CE1-CB 4.38Å; F327-A352 HydrophobicContact CZ-CB 3.78Å
328	I	92.5	Very high	94	Very high	12 Å²	12	23.9 Å²	23.9	6%	0.062	12%	0.123	C	C	.	.			trans	-116.2	-12.3	-175	60.7	162.3	0	0	0	114.5	V268 A326 V582 I586	V268-I328 HydrophobicContact CG1-CD1 4.13Å; V268-I328 HydrophobicContact CG1-CG1 4.23Å; V268-I328 HydrophobicContact CG1-CG2 3.66Å; A326-I328 HydrophobicContact CB-CG2 4.37Å; I328-V582 HydrophobicContact CD1-CG1 3.97Å; I328-I586 HydrophobicContact CB-CG1 4.37Å; I328-I586 HydrophobicContact CD1-CD1 4.07Å; I328-I586 HydrophobicContact CD1-CG1 4.18Å
329	E	92.8	Very high	94.1	Very high	41 Å²	41	22.7 Å²	22.7	19%	0.192	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	142.3	-175.2	-72.4	-176.7	-138.1	0	0	111.8	G262 V263 G265 K266 G331 W581	G262-E329 CarbonylContact C-O 3.55Å; G262-E329 WeakPolarHBondContact CA-O 3.43Å; V263-E329 PolarHBondContact N-O 2.87Å; G265-E329 WeakPolarHBondContact CA-OE1 3.29Å; K266-E329 PolarHBondContact N-OE1 3.47Å; K266-E329 VanDerWaalsContact N-OE1 3.13Å; E329-G331 PolarHBondContact O-N 2.91Å; E329-W581 HydrophobicContact CG-CH2 3.74Å; E329-W581 HydrophobicContact CG-CZ2 4.13Å
330	N	93	Very high	94.3	Very high	41 Å²	41	17.9 Å²	17.9	22%	0.219	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	44.1	176.6	-170.6	48.2	0	0	0	114.3	V263 F332 I333 E585 R663	V263-N330 HydrophobicContact CG2-CB 4.35Å; N330-F332 PolarHBondContact O-N 3.31Å; N330-F332 WeakPolarHBondContact OD1-CD2 3.14Å; N330-I333 PolarHBondContact O-N 2.82Å; N330-E585 PolarHBondContact N-OE1 2.9Å; N330-R663 PolarHBondContact OD1-NH1 3.44Å; N330-R663 PolarHBondContact OD1-NH2 3.41Å
331	G	94.4	Very high	94.6	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.021	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-3.3	176.2	0	0	0	0	0	116.5	A261 E329 I333 Y334 P589 R666	A261-G331 VanDerWaalsContact O-CA 3.3Å; A261-G331 WeakPolarHBondContact O-CA 3.38Å; E329-G331 PolarHBondContact O-N 2.91Å; G331-I333 PolarHBondContact O-N 3.22Å; G331-Y334 PolarHBondContact O-N 2.94Å; G331-P589 VanDerWaalsContact C-CB 3.4Å; G331-R666 PolarHBondContact O-NH2 2.85Å
332	F	95.1	Very high	94.7	Very high	15 Å²	15	23.1 Å²	23.1	7%	0.066	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.2	175	-61.7	-80.5	0	0	0	113.6	N330 Y466 T588 P589 P664 R666	N330-F332 PolarHBondContact O-N 3.31Å; N330-F332 WeakPolarHBondContact OD1-CD2 3.14Å; F332-Y466 HydrophobicContact CD1-CD2 4.19Å; F332-Y466 HydrophobicContact CD1-CE1 4.02Å; F332-Y466 AromaticContact CD1-CE2 3.59Å; F332-Y466 HydrophobicContact CD1-CE2 3.59Å; F332-Y466 AromaticContact CD1-CZ 3.5Å; F332-Y466 VanDerWaalsContact CD1-CZ 3.5Å; F332-Y466 AromaticContact CE1-CD2 3.73Å; F332-Y466 HydrophobicContact CE1-CD2 3.73Å; F332-Y466 HydrophobicContact CE1-CE1 4.42Å; F332-Y466 AromaticContact CE1-CE2 3.56Å; F332-Y466 HydrophobicContact CE1-CE2 3.56Å; F332-Y466 HydrophobicContact CE1-CG 4.25Å; F332-Y466 AromaticContact CE1-CZ 3.93Å; F332-Y466 WeakPolarHBondContact CE1-O 3.28Å; F332-T588 HydrophobicContact CE1-CG2 4.01Å; F332-T588 HydrophobicContact CZ-CG2 3.73Å; F332-P589 HydrophobicContact CD1-CB 4.11Å; F332-P589 HydrophobicContact CD1-CG 4.1Å; F332-P589 HydrophobicContact CD2-CG 3.89Å; F332-P589 HydrophobicContact CE1-CB 4.34Å; F332-P589 HydrophobicContact CE1-CG 4.02Å; F332-P589 HydrophobicContact CE2-CG 3.81Å; F332-P589 HydrophobicContact CG-CB 4.24Å; F332-P589 HydrophobicContact CG-CG 4.05Å; F332-P589 HydrophobicContact CZ-CG 3.89Å; F332-P664 WeakPolarHBondContact O-CD 3.47Å; F332-P664 WeakPolarHBondContact O-CG 3.14Å; F332-R666 PolarHBondContact O-NH2 3.26Å
333	I	94.6	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-105	-6.5	-175.5	74.3	174.8	0	0	0	114.1	V263 N330 G331 H335 T336 Y338 R343 P662	V263-I333 HydrophobicContact CB-CD1 4.19Å; V263-I333 HydrophobicContact CB-CG1 4.47Å; V263-I333 HydrophobicContact CG1-CD1 4.02Å; V263-I333 HydrophobicContact CG2-CD1 3.15Å; V263-I333 HydrophobicContact CG2-CG1 3.08Å; N330-I333 PolarHBondContact O-N 2.82Å; G331-I333 PolarHBondContact O-N 3.22Å; I333-H335 PolarHBondContact O-N 2.98Å; I333-T336 WeakPolarHBondContact O-CB 3.35Å; I333-T336 PolarHBondContact O-N 2.81Å; I333-T336 VanDerWaalsContact O-N 3.14Å; I333-T336 PolarHBondContact O-OG1 3.32Å; I333-Y338 WeakPolarHBondContact CD1-O 3.41Å; I333-R343 VanDerWaalsContact CD1-CD 3.42Å; I333-P662 HydrophobicContact CG2-CB 4.47Å; I333-P662 HydrophobicContact CG2-CG 3.66Å
334	Y	94.2	Very high	94.8	Very high	26 Å²	26	26 Å²	26	10%	0.102	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	137.4	172.9	178.8	-90.6	0	0	0	110.9	D198 A260 G331 T336 R593 R666	D198-Y334 HydrophobicContact CB-CD2 4.21Å; D198-Y334 HydrophobicContact CB-CE2 3.91Å; D198-Y334 WeakPolarHBondContact OD2-CE2 3.4Å; D198-Y334 PolarHBondContact OD2-OH 3.1Å; A260-Y334 WeakPolarHBondContact O-CE2 3.24Å; G331-Y334 PolarHBondContact O-N 2.94Å; Y334-T336 VanDerWaalsContact C-N 3.29Å; Y334-T336 WeakPolarHBondContact O-CG2 3.37Å; Y334-T336 PolarHBondContact O-N 3.34Å; Y334-R593 VanDerWaalsContact CG-NH1 3.34Å; Y334-R666 PolarHBondContact O-NH2 3.39Å
335	H	94.4	Very high	94.8	Very high	52 Å²	52	31.2 Å²	31.2	24%	0.241	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	42.5	-173.5	-69.6	-178.2	0	0	0	113.2	V190 D198 E233 I333 F876	V190-H335 HydrophobicContact CG2-CB 3.94Å; D198-H335 IonicContact OD2-CD2 2.73Å; D198-H335 PolarHBondContact OD2-CD2 3.09Å; D198-H335 IonicContact OD2-NE2 2.85Å; D198-H335 PolarHBondContact OD2-NE2 3.45Å; E233-H335 IonicContact OE1-CD2 2.74Å; E233-H335 IonicContact OE1-CE1 3.58Å; E233-H335 IonicContact OE1-NE2 3.02Å; E233-H335 PolarHBondContact OE1-NE2 2.92Å; E233-H335 IonicContact OE2-CE1 3.15Å; E233-H335 PolarHBondContact OE2-CE1 3.25Å; E233-H335 VanDerWaalsContact OE2-CE1 3.28Å; E233-H335 IonicContact OE2-NE2 3.44Å; E233-H335 PolarHBondContact OE2-NE2 3.16Å; I333-H335 PolarHBondContact O-N 2.98Å; H335-F876 VanDerWaalsContact O-CE1 3.28Å; H335-F876 WeakPolarHBondContact O-CE1 3.46Å
336	T	95.2	Very high	94.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-138.5	164.8	175.6	79.5	0	0	0	0	112.7	S193 I333 Y334 Y338 D339 P664 R666 F876	S193-T336 PolarHBondContact OG-O 2.78Å; I333-T336 WeakPolarHBondContact O-CB 3.35Å; I333-T336 PolarHBondContact O-N 2.81Å; I333-T336 VanDerWaalsContact O-N 3.14Å; I333-T336 PolarHBondContact O-OG1 3.32Å; Y334-T336 VanDerWaalsContact C-N 3.29Å; Y334-T336 WeakPolarHBondContact O-CG2 3.37Å; Y334-T336 PolarHBondContact O-N 3.34Å; T336-Y338 PolarHBondContact O-N 2.96Å; T336-Y338 PolarHBondContact OG1-N 3.05Å; T336-D339 PolarHBondContact O-N 3.37Å; T336-P664 HydrophobicContact CG2-CG 3.79Å; T336-R666 HydrophobicContact CG2-CG 4.49Å; T336-F876 VanDerWaalsContact CA-CE1 3.48Å; T336-F876 HydrophobicContact CG2-CD1 3.76Å; T336-F876 HydrophobicContact CG2-CE1 4.26Å; T336-F876 HydrophobicContact CG2-CG 4.31Å
337	K	94.7	Very high	94.8	Very high	85 Å²	85	36.8 Å²	36.8	37%	0.37	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-15.7	171.1	69.6	-179.7	-179.7	-171.1	0	115.3	F876	K337-F876 HydrophobicContact CB-CD2 3.92Å; K337-F876 HydrophobicContact CB-CE2 3.66Å; K337-F876 HydrophobicContact CD-CD2 3.94Å; K337-F876 HydrophobicContact CD-CE2 4.4Å; K337-F876 HydrophobicContact CG-CD2 3.7Å; K337-F876 HydrophobicContact CG-CE2 4Å; K337-F876 VanDerWaalsContact N-CE2 3.33Å
338	Y	95.3	Very high	94.9	Very high	22 Å²	22	36.5 Å²	36.5	9%	0.086	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.3	-179.8	-62.2	-67.2	0	0	0	113	I333 T336 T340 R343 P662 P664 T873	I333-Y338 WeakPolarHBondContact CD1-O 3.41Å; T336-Y338 PolarHBondContact O-N 2.96Å; T336-Y338 PolarHBondContact OG1-N 3.05Å; Y338-T340 VanDerWaalsContact C-N 3.3Å; Y338-T340 PolarHBondContact O-N 2.92Å; Y338-T340 PolarHBondContact O-OG1 2.8Å; Y338-R343 VanDerWaalsContact O-CD 3.31Å; Y338-R343 WeakPolarHBondContact O-CD 3.47Å; Y338-R343 PolarHBondContact O-NH1 3.05Å; Y338-P662 HydrophobicContact CD1-CB 3.92Å; Y338-P662 HydrophobicContact CD1-CG 3.9Å; Y338-P662 HydrophobicContact CD2-CB 3.67Å; Y338-P662 HydrophobicContact CD2-CG 4.11Å; Y338-P662 HydrophobicContact CE1-CB 3.96Å; Y338-P662 HydrophobicContact CE1-CG 4.39Å; Y338-P662 HydrophobicContact CE2-CB 3.71Å; Y338-P662 HydrophobicContact CG-CB 3.77Å; Y338-P662 HydrophobicContact CG-CG 3.74Å; Y338-P664 HydrophobicContact CD2-CB 4.4Å; Y338-P664 HydrophobicContact CD2-CG 4.19Å; Y338-P664 HydrophobicContact CE2-CB 4.18Å; Y338-P664 HydrophobicContact CE2-CG 4.43Å; Y338-T873 PolarHBondContact OH-O 2.58Å
339	D	96	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.			trans	-72.5	86.1	172.6	-176.7	25.5	0	0	0	110.6	P194 G195 A196 S197 D198 T336	P194-D339 WeakPolarHBondContact CB-O 3.39Å; P194-D339 WeakPolarHBondContact CG-O 3.17Å; G195-D339 WeakPolarHBondContact CA-OD2 3.28Å; A196-D339 WeakPolarHBondContact CB-O 3.45Å; A196-D339 PolarHBondContact N-O 2.07Å; A196-D339 PolarHBondContact N-OD2 3.38Å; S197-D339 WeakPolarHBondContact CB-OD1 3.47Å; S197-D339 PolarHBondContact N-OD1 3.27Å; S197-D339 PolarHBondContact N-OD2 3.5Å; D198-D339 PolarHBondContact N-OD2 3.2Å; T336-D339 PolarHBondContact O-N 3.37Å
340	T	95.9	Very high	95.3	Very high	30 Å²	30	35 Å²	35	18%	0.184	18%	0.176	C	C	.	.			trans	-129.3	148.3	-171.2	56.3	0	0	0	0	111.3	P194 A196 Y338 N342 R343	P194-T340 HydrophobicContact CG-CG2 4.03Å; A196-T340 VanDerWaalsContact CB-CA 3.49Å; Y338-T340 VanDerWaalsContact C-N 3.3Å; Y338-T340 PolarHBondContact O-N 2.92Å; Y338-T340 PolarHBondContact O-OG1 2.8Å; T340-N342 WeakPolarHBondContact CB-OD1 3.11Å; T340-N342 PolarHBondContact O-N 2.76Å; T340-N342 VanDerWaalsContact O-N 3.09Å; T340-N342 PolarHBondContact OG1-OD1 3.12Å; T340-R343 PolarHBondContact O-N 2.89Å; T340-R343 PolarHBondContact OG1-NH1 2.77Å
341	A	96.4	Very high	95.4	Very high	11 Å²	11	33 Å²	33	9%	0.091	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-54.7	-36	-172.5	0	0	0	0	0	114.3	R93 L96 E97 A196 R343 I344	R93-A341 PolarHBondContact NH1-O 2.88Å; L96-A341 HydrophobicContact CD1-CB 4.23Å; L96-A341 HydrophobicContact CD2-CB 4.05Å; L96-A341 HydrophobicContact CG-CB 3.79Å; E97-A341 HydrophobicContact CG-CB 4.32Å; A196-A341 HydrophobicContact CB-CB 4.43Å; A341-R343 PolarHBondContact O-N 3.02Å; A341-I344 PolarHBondContact O-N 3.3Å
342	N	94.8	Very high	95.5	Very high	130 Å²	130	33 Å²	33	70%	0.695	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-67.3	-12	-179.8	70.1	-34.3	0	0	0	114.5	T340	T340-N342 WeakPolarHBondContact CB-OD1 3.11Å; T340-N342 PolarHBondContact O-N 2.76Å; T340-N342 VanDerWaalsContact O-N 3.09Å; T340-N342 PolarHBondContact OG1-OD1 3.12Å
343	R	94	Very high	95.6	Very high	61 Å²	61	32.3 Å²	32.3	23%	0.23	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-89.9	-14.5	176.6	-67.6	-168.8	171.2	79.1	8.9	113.5	V263 I333 Y338 T340 A341 P659	V263-R343 HydrophobicContact CG1-CB 3.8Å; I333-R343 VanDerWaalsContact CD1-CD 3.42Å; Y338-R343 VanDerWaalsContact O-CD 3.31Å; Y338-R343 WeakPolarHBondContact O-CD 3.47Å; Y338-R343 PolarHBondContact O-NH1 3.05Å; T340-R343 PolarHBondContact O-N 2.89Å; T340-R343 PolarHBondContact OG1-NH1 2.77Å; A341-R343 PolarHBondContact O-N 3.02Å; R343-P659 PolarHBondContact NH2-O 3Å
344	I	95.8	Very high	95.7	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	-87	123.4	177.7	-61.1	164.8	0	0	0	107.6	R93 L96 A196 V201 V263 A341 I349	R93-I344 PolarHBondContact NH1-O 3.06Å; R93-I344 PolarHBondContact NH2-O 2.91Å; L96-I344 HydrophobicContact CD1-CD1 4.43Å; L96-I344 HydrophobicContact CD2-CB 4.46Å; L96-I344 HydrophobicContact CD2-CD1 3.91Å; A196-I344 HydrophobicContact CB-CD1 4.14Å; V201-I344 HydrophobicContact CB-CD1 3.97Å; V201-I344 HydrophobicContact CG1-CD1 4.32Å; V201-I344 HydrophobicContact CG2-CD1 4.31Å; V201-I344 HydrophobicContact CG2-CG2 4.16Å; V263-I344 HydrophobicContact CG1-CG1 3.99Å; A341-I344 PolarHBondContact O-N 3.3Å; I344-I349 HydrophobicContact CG2-CD1 4.23Å; I344-I349 HydrophobicContact CG2-CG1 3.91Å
345	L	95.5	Very high	95.8	Very high	108 Å²	108	31.3 Å²	31.3	57%	0.565	16%	0.159	S	C	*	.			trans	-70.9	145	177.3	-59	174.3	0	0	0	111.5	L78 D347 S348 I349	L78-L345 HydrophobicContact CD1-CB 4.34Å; L78-L345 HydrophobicContact CD1-CD1 3.88Å; L345-D347 PolarHBondContact O-N 2.66Å; L345-S348 VanDerWaalsContact O-CB 3.31Å; L345-S348 WeakPolarHBondContact O-CB 3.24Å; L345-S348 PolarHBondContact O-N 2.74Å; L345-S348 PolarHBondContact O-OG 2.81Å; L345-I349 PolarHBondContact O-N 3.39Å
346	T	95.9	Very high	96	Very high	37 Å²	37	29.1 Å²	29.1	23%	0.227	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-33.2	-179.5	-57.2	0	0	0	0	109.8	A89 R93 S348 I349 Q350	A89-T346 HydrophobicContact CB-CG2 3.69Å; R93-T346 PolarHBondContact NE-OG1 2.84Å; R93-T346 PolarHBondContact NH2-OG1 2.92Å; T346-S348 VanDerWaalsContact C-N 3.28Å; T346-S348 PolarHBondContact O-N 2.73Å; T346-I349 WeakPolarHBondContact O-CB 3.23Å; T346-I349 PolarHBondContact O-N 3.07Å; T346-I349 VanDerWaalsContact O-N 3.1Å; T346-Q350 PolarHBondContact O-N 3.07Å
347	D	95.6	Very high	96.1	Very high	92 Å²	92	29.3 Å²	29.3	49%	0.492	15%	0.15	S	C	.	.	H	α-helix	trans	-63.5	-31.5	174.9	-71.1	0.3	0	0	0	112.8	L78 V79 L345 Q350 R351	L78-D347 HydrophobicContact CB-CB 4.03Å; L78-D347 HydrophobicContact CD1-CB 3.96Å; V79-D347 HydrophobicContact CG2-CB 4.09Å; L345-D347 PolarHBondContact O-N 2.66Å; D347-Q350 PolarHBondContact O-N 3.27Å; D347-R351 VanDerWaalsContact O-CB 3.24Å; D347-R351 WeakPolarHBondContact O-CB 3.31Å; D347-R351 PolarHBondContact O-N 2.89Å
348	S	96.1	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-42.8	172	-47.1	0	0	0	0	110.7	L78 G265 L345 T346 R351 A352	L78-S348 WeakPolarHBondContact CD1-OG 3.26Å; G265-S348 PolarHBondContact N-OG 2.55Å; L345-S348 VanDerWaalsContact O-CB 3.31Å; L345-S348 WeakPolarHBondContact O-CB 3.24Å; L345-S348 PolarHBondContact O-N 2.74Å; L345-S348 PolarHBondContact O-OG 2.81Å; T346-S348 VanDerWaalsContact C-N 3.28Å; T346-S348 PolarHBondContact O-N 2.73Å; S348-R351 PolarHBondContact O-N 3.21Å; S348-A352 WeakPolarHBondContact O-CB 3.43Å; S348-A352 PolarHBondContact O-N 3.44Å
349	I	97.4	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-44.6	176.8	-57.6	179.9	0	0	0	110.2	F87 A89 A92 R93 L96 V201 V205 I344 L345 T346 G353	F87-I349 HydrophobicContact CE1-CG2 4.18Å; F87-I349 WeakPolarHBondContact CE1-O 3.41Å; F87-I349 HydrophobicContact CZ-CG2 4.26Å; A89-I349 HydrophobicContact CB-CB 4.32Å; A89-I349 HydrophobicContact CB-CG2 4.15Å; A92-I349 HydrophobicContact CB-CG2 3.57Å; R93-I349 HydrophobicContact CB-CD1 4.42Å; L96-I349 HydrophobicContact CD2-CD1 3.94Å; V201-I349 HydrophobicContact CG2-CD1 4.29Å; V201-I349 HydrophobicContact CG2-CG1 3.9Å; V205-I349 HydrophobicContact CG2-CG2 3.89Å; I344-I349 HydrophobicContact CG2-CD1 4.23Å; I344-I349 HydrophobicContact CG2-CG1 3.91Å; L345-I349 PolarHBondContact O-N 3.39Å; T346-I349 WeakPolarHBondContact O-CB 3.23Å; T346-I349 PolarHBondContact O-N 3.07Å; T346-I349 VanDerWaalsContact O-N 3.1Å; I349-G353 PolarHBondContact O-N 3.4Å
350	Q	97.3	Very high	96.3	Very high	20 Å²	20	25.1 Å²	25.1	9%	0.093	14%	0.135	C	C	.	.	H	α-helix	trans	-61.3	-45.2	177.1	-173.6	63.9	54.4	0	0	111.3	V79 P83 F87 A89 T346 D347 D354	V79-Q350 HydrophobicContact CG2-CB 4.27Å; V79-Q350 HydrophobicContact CG2-CG 4.31Å; P83-Q350 HydrophobicContact CG-CG 4.4Å; F87-Q350 PolarHBondContact O-NE2 3.03Å; F87-Q350 VanDerWaalsContact O-NE2 3.1Å; F87-Q350 PolarHBondContact O-OE1 3.49Å; A89-Q350 HydrophobicContact CB-CB 3.68Å; A89-Q350 HydrophobicContact CB-CG 4.4Å; T346-Q350 PolarHBondContact O-N 3.07Å; D347-Q350 PolarHBondContact O-N 3.27Å; Q350-D354 PolarHBondContact NE2-OD1 3.16Å; Q350-D354 VanDerWaalsContact NE2-OD1 3.07Å; Q350-D354 WeakPolarHBondContact O-CB 3.35Å; Q350-D354 PolarHBondContact O-N 3.42Å
351	R	95.1	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-54.5	178.9	-176.6	-167.6	176.7	92.5	1	111.3	L78 V79 E267 H289 P290 D347 S348 G353 D354 N355	L78-R351 WeakPolarHBondContact O-CD 3.46Å; L78-R351 VanDerWaalsContact O-CG 3.29Å; L78-R351 WeakPolarHBondContact O-CG 3.27Å; L78-R351 PolarHBondContact O-NH1 3Å; V79-R351 HydrophobicContact CG2-CB 4.43Å; E267-R351 WeakPolarHBondContact OE2-CD 3.2Å; E267-R351 IonicContact OE2-NE 3.02Å; H289-R351 HydrophobicContact CB-CG 3.58Å; H289-R351 VanDerWaalsContact CB-CZ 3.49Å; H289-R351 VanDerWaalsContact O-CZ 3.29Å; H289-R351 PolarHBondContact O-NH2 2.84Å; P290-R351 PolarHBondContact O-NH2 3.02Å; D347-R351 VanDerWaalsContact O-CB 3.24Å; D347-R351 WeakPolarHBondContact O-CB 3.31Å; D347-R351 PolarHBondContact O-N 2.89Å; S348-R351 PolarHBondContact O-N 3.21Å; R351-G353 PolarHBondContact O-N 3.22Å; R351-D354 PolarHBondContact O-N 3.36Å; R351-N355 PolarHBondContact O-N 2.97Å
352	A	96.4	Very high	96.2	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-61	-46.9	-179.4	0	0	0	0	0	111	E267 F327 S348 D354 N355 I356	E267-A352 HydrophobicContact CG-CB 4.3Å; F327-A352 HydrophobicContact CE1-CB 4.38Å; F327-A352 HydrophobicContact CZ-CB 3.78Å; S348-A352 WeakPolarHBondContact O-CB 3.43Å; S348-A352 PolarHBondContact O-N 3.44Å; A352-D354 PolarHBondContact O-N 2.92Å; A352-N355 PolarHBondContact O-N 3.33Å; A352-I356 HydrophobicContact CB-CD1 4.28Å; A352-I356 WeakPolarHBondContact O-CB 3.27Å; A352-I356 WeakPolarHBondContact O-CD1 3.33Å; A352-I356 VanDerWaalsContact O-CG1 3.23Å; A352-I356 WeakPolarHBondContact O-CG1 3.37Å; A352-I356 PolarHBondContact O-N 3.49Å
353	G	97.3	Very high	96.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.2	-42.9	177.4	0	0	0	0	0	113.9	I349 R351 N355 L357	I349-G353 PolarHBondContact O-N 3.4Å; R351-G353 PolarHBondContact O-N 3.22Å; G353-N355 VanDerWaalsContact C-N 3.33Å; G353-N355 PolarHBondContact O-N 3.33Å; G353-L357 WeakPolarHBondContact O-CB 3.29Å; G353-L357 PolarHBondContact O-N 3.19Å
354	D	97	Very high	96.3	Very high	3 Å²	3	20 Å²	20	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-58.5	-44.3	174.4	-89.6	-15.9	0	0	0	111.7	K288 H289 Q350 R351 A352 A358	K288-D354 HydrophobicContact CB-CB 4.33Å; K288-D354 HydrophobicContact CD-CB 3.9Å; H289-D354 IonicContact CD2-OD2 3.99Å; H289-D354 IonicContact CE1-OD2 3.07Å; H289-D354 IonicContact NE2-OD2 3.28Å; H289-D354 PolarHBondContact NE2-OD2 3.25Å; Q350-D354 PolarHBondContact NE2-OD1 3.16Å; Q350-D354 VanDerWaalsContact NE2-OD1 3.07Å; Q350-D354 WeakPolarHBondContact O-CB 3.35Å; Q350-D354 PolarHBondContact O-N 3.42Å; R351-D354 PolarHBondContact O-N 3.36Å; A352-D354 PolarHBondContact O-N 2.92Å; D354-A358 WeakPolarHBondContact O-CB 3.36Å; D354-A358 PolarHBondContact O-N 3.14Å; D354-A358 VanDerWaalsContact O-N 3.14Å
355	N	96.1	Very high	96.2	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-68.3	-52.9	178.7	-84.5	-12.7	0	0	0	112.2	E267 A287 K288 H289 R351 A352 G353 L357 A358 V359	E267-N355 PolarHBondContact OE1-ND2 3.27Å; A287-N355 WeakPolarHBondContact CA-OD1 3.08Å; K288-N355 PolarHBondContact N-OD1 2.95Å; H289-N355 PolarHBondContact N-OD1 2.91Å; H289-N355 PolarHBondContact O-ND2 2.93Å; R351-N355 PolarHBondContact O-N 2.97Å; A352-N355 PolarHBondContact O-N 3.33Å; G353-N355 VanDerWaalsContact C-N 3.33Å; G353-N355 PolarHBondContact O-N 3.33Å; N355-L357 VanDerWaalsContact C-N 3.35Å; N355-L357 PolarHBondContact O-N 3.04Å; N355-A358 PolarHBondContact O-N 3.22Å; N355-V359 WeakPolarHBondContact O-CB 3.35Å; N355-V359 WeakPolarHBondContact O-CG2 3.49Å; N355-V359 PolarHBondContact O-N 3.26Å
356	I	97.4	Very high	95.9	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.036	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-45.1	-177	-66.1	158	0	0	0	110.2	V205 V209 L258 A352 L360	V205-I356 HydrophobicContact CG1-CD1 3.69Å; V209-I356 HydrophobicContact CG1-CG2 4.47Å; V209-I356 HydrophobicContact CG2-CB 4.43Å; V209-I356 HydrophobicContact CG2-CG2 4.07Å; L258-I356 HydrophobicContact CD1-CD1 3.63Å; L258-I356 HydrophobicContact CD2-CD1 3.51Å; L258-I356 HydrophobicContact CD2-CG1 3.87Å; L258-I356 HydrophobicContact CG-CD1 4.23Å; A352-I356 HydrophobicContact CB-CD1 4.28Å; A352-I356 WeakPolarHBondContact O-CB 3.27Å; A352-I356 WeakPolarHBondContact O-CD1 3.33Å; A352-I356 VanDerWaalsContact O-CG1 3.23Å; A352-I356 WeakPolarHBondContact O-CG1 3.37Å; A352-I356 PolarHBondContact O-N 3.49Å; I356-L360 HydrophobicContact CG2-CD1 3.77Å; I356-L360 HydrophobicContact CG2-CG 4.38Å; I356-L360 VanDerWaalsContact O-CB 3.28Å; I356-L360 WeakPolarHBondContact O-CB 3.39Å; I356-L360 WeakPolarHBondContact O-CG 3.29Å; I356-L360 PolarHBondContact O-N 2.89Å
357	L	97.8	Very high	95.5	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-48.8	176.4	179.5	58.8	0	0	0	111.6	E86 F87 V209 A212 L213 G353 N355 K361	E86-L357 HydrophobicContact CB-CD2 3.86Å; F87-L357 HydrophobicContact CB-CD2 4.02Å; V209-L357 HydrophobicContact CG1-CD1 4.1Å; V209-L357 HydrophobicContact CG2-CB 4.22Å; A212-L357 HydrophobicContact CB-CD1 3.94Å; A212-L357 HydrophobicContact CB-CD2 3.92Å; L213-L357 HydrophobicContact CD2-CD1 3.59Å; L213-L357 HydrophobicContact CG-CD1 3.78Å; G353-L357 WeakPolarHBondContact O-CB 3.29Å; G353-L357 PolarHBondContact O-N 3.19Å; N355-L357 VanDerWaalsContact C-N 3.35Å; N355-L357 PolarHBondContact O-N 3.04Å; L357-K361 WeakPolarHBondContact O-CB 3.3Å; L357-K361 PolarHBondContact O-N 3.29Å
358	A	96.6	Very high	95.1	Very high	14 Å²	14	23 Å²	23	12%	0.116	12%	0.115	C	C	.	.	H	α-helix	trans	-66.5	-43.3	-177	0	0	0	0	0	112.1	A286 K288 D354 N355 H362	A286-A358 WeakPolarHBondContact O-CB 2.83Å; K288-A358 HydrophobicContact CD-CB 4.46Å; K288-A358 HydrophobicContact CG-CB 4.18Å; D354-A358 WeakPolarHBondContact O-CB 3.36Å; D354-A358 PolarHBondContact O-N 3.14Å; D354-A358 VanDerWaalsContact O-N 3.14Å; N355-A358 PolarHBondContact O-N 3.22Å; A358-H362 WeakPolarHBondContact O-CB 3.48Å; A358-H362 PolarHBondContact O-N 2.86Å
359	V	96.6	Very high	94.7	Very high	4 Å²	4	23 Å²	23	2%	0.024	12%	0.115	C	C	.	.	H	α-helix	trans	-66.9	-47.8	179	174.8	0	0	0	0	110.8	I256 Y283 A286 A287 N355 K361 H362 L363	I256-V359 HydrophobicContact CD1-CG1 3.81Å; Y283-V359 HydrophobicContact CD2-CG2 3.9Å; Y283-V359 HydrophobicContact CE2-CG2 4.48Å; A286-V359 HydrophobicContact CB-CG2 4.13Å; A287-V359 HydrophobicContact CB-CG2 4.17Å; N355-V359 WeakPolarHBondContact O-CB 3.35Å; N355-V359 WeakPolarHBondContact O-CG2 3.49Å; N355-V359 PolarHBondContact O-N 3.26Å; V359-K361 PolarHBondContact O-N 2.99Å; V359-H362 PolarHBondContact O-N 2.78Å; V359-L363 HydrophobicContact CG1-CD1 3.68Å; V359-L363 HydrophobicContact CG1-CG 4.33Å; V359-L363 VanDerWaalsContact O-CG 3.26Å; V359-L363 WeakPolarHBondContact O-CG 3.41Å; V359-L363 PolarHBondContact O-N 2.93Å
360	L	96.8	Very high	94.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-47	175.7	-77.8	173.2	0	0	0	111.5	M181 A183 V209 L213 F226 I256 I356 H362 L363 V364	M181-L360 HydrophobicContact CB-CD2 4.32Å; M181-L360 HydrophobicContact CE-CD2 4.39Å; A183-L360 HydrophobicContact CB-CD1 4.06Å; A183-L360 HydrophobicContact CB-CD2 4.46Å; V209-L360 HydrophobicContact CG1-CD1 3.9Å; L213-L360 HydrophobicContact CD1-CB 4.46Å; F226-L360 HydrophobicContact CE1-CD1 4.4Å; I256-L360 HydrophobicContact CD1-CD2 3.62Å; I256-L360 HydrophobicContact CD1-CG 3.83Å; I256-L360 HydrophobicContact CG1-CD2 4.28Å; I356-L360 HydrophobicContact CG2-CD1 3.77Å; I356-L360 HydrophobicContact CG2-CG 4.38Å; I356-L360 VanDerWaalsContact O-CB 3.28Å; I356-L360 WeakPolarHBondContact O-CB 3.39Å; I356-L360 WeakPolarHBondContact O-CG 3.29Å; I356-L360 PolarHBondContact O-N 2.89Å; L360-H362 VanDerWaalsContact C-N 3.28Å; L360-H362 PolarHBondContact O-N 2.98Å; L360-L363 PolarHBondContact O-N 3.48Å; L360-L363 VanDerWaalsContact O-N 3.16Å; L360-V364 VanDerWaalsContact O-CG1 3.29Å; L360-V364 WeakPolarHBondContact O-CG1 3.32Å; L360-V364 VanDerWaalsContact O-CG2 3.24Å; L360-V364 WeakPolarHBondContact O-CG2 2.86Å; L360-V364 PolarHBondContact O-N 2.66Å
361	K	95.7	Very high	93.3	Very high	66 Å²	66	27.2 Å²	27.2	29%	0.287	14%	0.142	S	C	.	.	H	α-helix	trans	-56	-43.3	177.2	-174.3	178.9	-177.2	176.8	0	111.4	E86 L213 Q216 L357 V359 T365	E86-K361 IonicContact OE1-NZ 2.83Å; E86-K361 PolarHBondContact OE1-NZ 2.78Å; L213-K361 HydrophobicContact CD2-CB 4.21Å; Q216-K361 VanDerWaalsContact NE2-CE 3.32Å; L357-K361 WeakPolarHBondContact O-CB 3.3Å; L357-K361 PolarHBondContact O-N 3.29Å; V359-K361 PolarHBondContact O-N 2.99Å; K361-T365 WeakPolarHBondContact O-CB 3.21Å; K361-T365 WeakPolarHBondContact O-CG2 3.45Å; K361-T365 PolarHBondContact O-N 2.95Å; K361-T365 PolarHBondContact O-OG1 2.86Å
362	H	95.7	Very high	92.2	Very high	60 Å²	60	28 Å²	28	28%	0.278	15%	0.147	S	C	.	.	H	α-helix	trans	-64.9	-46.8	176.1	-178.3	82	0	0	0	112.2	H285 A286 A358 V359 L360 T365 S366	H285-H362 AromaticContact CD2-CE1 3.53Å; H285-H362 AromaticContact CD2-ND1 3.83Å; A286-H362 HydrophobicContact CB-CB 3.6Å; A358-H362 WeakPolarHBondContact O-CB 3.48Å; A358-H362 PolarHBondContact O-N 2.86Å; V359-H362 PolarHBondContact O-N 2.78Å; L360-H362 VanDerWaalsContact C-N 3.28Å; L360-H362 PolarHBondContact O-N 2.98Å; H362-T365 PolarHBondContact O-N 2.75Å; H362-T365 PolarHBondContact O-OG1 3.02Å; H362-S366 VanDerWaalsContact O-CB 3.29Å; H362-S366 WeakPolarHBondContact O-CB 3.45Å; H362-S366 PolarHBondContact O-N 2.85Å; H362-S366 VanDerWaalsContact O-N 3.07Å
363	L	95.1	Very high	91.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.7	-43	-177.3	-70.1	167.6	0	0	0	112.4	M181 I256 W278 L279 A282 V359 L360 T365 S366	M181-L363 HydrophobicContact CE-CB 4.39Å; M181-L363 HydrophobicContact CE-CD1 3.61Å; M181-L363 HydrophobicContact CG-CB 4.14Å; M181-L363 HydrophobicContact SD-CB 4.07Å; M181-L363 HydrophobicContact SD-CD1 4.3Å; I256-L363 HydrophobicContact CD1-CD1 4.03Å; W278-L363 HydrophobicContact CE3-CD2 4.08Å; W278-L363 HydrophobicContact CH2-CD2 4.16Å; W278-L363 HydrophobicContact CZ3-CD2 3.37Å; L279-L363 HydrophobicContact CD2-CD2 3.96Å; A282-L363 HydrophobicContact CB-CD2 3.49Å; A282-L363 VanDerWaalsContact CB-CD2 3.49Å; A282-L363 HydrophobicContact CB-CG 4.2Å; V359-L363 HydrophobicContact CG1-CD1 3.68Å; V359-L363 HydrophobicContact CG1-CG 4.33Å; V359-L363 VanDerWaalsContact O-CG 3.26Å; V359-L363 WeakPolarHBondContact O-CG 3.41Å; V359-L363 PolarHBondContact O-N 2.93Å; L360-L363 PolarHBondContact O-N 3.48Å; L360-L363 VanDerWaalsContact O-N 3.16Å; L363-T365 VanDerWaalsContact C-N 3.26Å; L363-T365 PolarHBondContact O-N 3.37Å; L363-S366 PolarHBondContact O-N 2.86Å
364	V	95.3	Very high	90	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-79.1	-9.4	-176.2	-54.9	0	0	0	0	113.7	M181 L220 H221 H222 V224 L360	M181-V364 HydrophobicContact CB-CG1 3.99Å; M181-V364 HydrophobicContact CG-CG1 3.64Å; L220-V364 HydrophobicContact CB-CG2 4.43Å; L220-V364 HydrophobicContact CD1-CG2 4.09Å; L220-V364 HydrophobicContact CD2-CG2 3.82Å; L220-V364 HydrophobicContact CG-CG2 4.29Å; H221-V364 WeakPolarHBondContact CB-O 3.36Å; H221-V364 PolarHBondContact N-O 3.13Å; H222-V364 HydrophobicContact CB-CB 4.41Å; H222-V364 PolarHBondContact CD2-O 3.18Å; H222-V364 PolarHBondContact N-O 2.75Å; V224-V364 HydrophobicContact CG2-CB 4.42Å; V224-V364 HydrophobicContact CG2-CG1 3.4Å; V224-V364 VanDerWaalsContact CG2-CG1 3.4Å; L360-V364 VanDerWaalsContact O-CG1 3.29Å; L360-V364 WeakPolarHBondContact O-CG1 3.32Å; L360-V364 VanDerWaalsContact O-CG2 3.24Å; L360-V364 WeakPolarHBondContact O-CG2 2.86Å; L360-V364 PolarHBondContact O-N 2.66Å
365	T	92.7	Very high	88.7	Confident	54 Å²	54	41.2 Å²	41.2	33%	0.331	22%	0.216	S	C	.	.	H	α-helix	trans	-103.6	-9.6	171.9	55.1	0	0	0	0	112.5	H221 K361 H362 L363	H221-T365 PolarHBondContact ND1-O 3.07Å; K361-T365 WeakPolarHBondContact O-CB 3.21Å; K361-T365 WeakPolarHBondContact O-CG2 3.45Å; K361-T365 PolarHBondContact O-N 2.95Å; K361-T365 PolarHBondContact O-OG1 2.86Å; H362-T365 PolarHBondContact O-N 2.75Å; H362-T365 PolarHBondContact O-OG1 3.02Å; L363-T365 VanDerWaalsContact C-N 3.26Å; L363-T365 PolarHBondContact O-N 3.37Å
366	S	91.2	Very high	87.8	Confident	22 Å²	22	47 Å²	47	15%	0.154	24%	0.238	C	C	.	.			trans	-83.3	133	180	-179.9	0	0	0	0	111.9	H222 H362 L363 K368 L369	H222-S366 PolarHBondContact CD2-O 2.86Å; H222-S366 PolarHBondContact NE2-O 2.95Å; H362-S366 VanDerWaalsContact O-CB 3.29Å; H362-S366 WeakPolarHBondContact O-CB 3.45Å; H362-S366 PolarHBondContact O-N 2.85Å; H362-S366 VanDerWaalsContact O-N 3.07Å; L363-S366 PolarHBondContact O-N 2.86Å; S366-K368 PolarHBondContact O-N 3.37Å; S366-K368 WeakPolarHBondContact OG-CB 3.47Å; S366-K368 PolarHBondContact OG-N 3.39Å; S366-L369 PolarHBondContact O-N 3.18Å
367	E	87	Confident	86.8	Confident	158 Å²	158	52 Å²	52	74%	0.738	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-61.9	-24.5	172.5	-62.6	-180	168.1	0	0	112.1	L369 A370	E367-L369 PolarHBondContact O-N 3.05Å; E367-L369 VanDerWaalsContact O-N 3.11Å; E367-A370 WeakPolarHBondContact O-CB 3.46Å; E367-A370 PolarHBondContact O-N 3.22Å; E367-A370 VanDerWaalsContact O-N 3.1Å
368	K	87.1	Confident	86	Confident	68 Å²	68	53 Å²	53	30%	0.296	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-61.8	-22.4	-179.7	-61.5	-172.7	179.8	177.3	0	113.8	W278 S366 A370 D371 S372 Y375	W278-K368 HydrophobicContact CB-CD 4.07Å; W278-K368 HydrophobicContact CE3-CB 4.13Å; S366-K368 PolarHBondContact O-N 3.37Å; S366-K368 WeakPolarHBondContact OG-CB 3.47Å; S366-K368 PolarHBondContact OG-N 3.39Å; K368-A370 VanDerWaalsContact C-N 3.32Å; K368-D371 CarbonylContact O-C 3.59Å; K368-S372 WeakPolarHBondContact O-CA 3.29Å; K368-S372 PolarHBondContact O-N 3.06Å; K368-Y375 HydrophobicContact CB-CD2 3.98Å; K368-Y375 HydrophobicContact CB-CE2 3.87Å; K368-Y375 HydrophobicContact CD-CE1 4.46Å; K368-Y375 HydrophobicContact CG-CD2 4.22Å; K368-Y375 HydrophobicContact CG-CE1 4.26Å; K368-Y375 HydrophobicContact CG-CE2 3.88Å
369	L	87.9	Confident	85.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-69.2	-33.3	178.4	-177.1	62.3	0	0	0	111.9	M181 H222 R253 A254 W278 S366 E367	M181-L369 HydrophobicContact CG-CD1 4.15Å; M181-L369 HydrophobicContact CG-CD2 3.64Å; M181-L369 HydrophobicContact SD-CD1 3.37Å; M181-L369 WeakPolarHBondContact SD-CD1 3.37Å; M181-L369 HydrophobicContact SD-CD2 4.01Å; M181-L369 HydrophobicContact SD-CG 4.35Å; H222-L369 HydrophobicContact CB-CD2 3.66Å; R253-L369 HydrophobicContact CB-CD1 3.7Å; R253-L369 HydrophobicContact CB-CG 4.25Å; R253-L369 WeakPolarHBondContact CB-O 3.41Å; A254-L369 HydrophobicContact CB-CD1 4.22Å; W278-L369 HydrophobicContact CH2-CD1 3.91Å; S366-L369 PolarHBondContact O-N 3.18Å; E367-L369 PolarHBondContact O-N 3.05Å; E367-L369 VanDerWaalsContact O-N 3.11Å
370	A	84.6	Confident	85.3	Confident	26 Å²	26	56.6 Å²	56.6	22%	0.215	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-44.8	178.5	0	0	0	0	0	111.5	H179 E367 K368	H179-A370 VanDerWaalsContact CD2-CA 3.46Å; H179-A370 WeakPolarHBondContact CD2-CA 3.16Å; H179-A370 VanDerWaalsContact CD2-CB 3.47Å; H179-A370 WeakPolarHBondContact CD2-CB 3.39Å; E367-A370 WeakPolarHBondContact O-CB 3.46Å; E367-A370 PolarHBondContact O-N 3.22Å; E367-A370 VanDerWaalsContact O-N 3.1Å; K368-A370 VanDerWaalsContact C-N 3.32Å
371	D	79.1	Confident	85.1	Confident	82 Å²	82	56.9 Å²	56.9	44%	0.439	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	38.4	-175.2	-56.6	-52.3	0	0	0	112.2	K368 S373 E374 Y375	K368-D371 CarbonylContact O-C 3.59Å; D371-S373 PolarHBondContact O-N 2.55Å; D371-E374 HydrophobicContact CB-CB 4.31Å; D371-E374 WeakPolarHBondContact O-CB 3.35Å; D371-E374 PolarHBondContact O-N 2.79Å; D371-Y375 HydrophobicContact CB-CE2 4.06Å; D371-Y375 WeakPolarHBondContact O-CD2 3.19Å
372	S	73.9	Confident	84.9	Confident	15 Å²	15	53.9 Å²	53.9	11%	0.105	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.8	-172.6	64.1	0	0	0	0	114	K368 Y375	K368-S372 WeakPolarHBondContact O-CA 3.29Å; K368-S372 PolarHBondContact O-N 3.06Å; S372-Y375 PolarHBondContact O-N 2.87Å
373	S	73	Confident	84.8	Confident	91 Å²	91	51.7 Å²	51.7	64%	0.636	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-34.2	175.7	56	0	0	0	0	113.8	D371 Y375 R376	D371-S373 PolarHBondContact O-N 2.55Å; S373-Y375 PolarHBondContact O-N 2.7Å; S373-R376 WeakPolarHBondContact O-CB 3.26Å; S373-R376 WeakPolarHBondContact O-CG 3.37Å; S373-R376 PolarHBondContact O-N 3.27Å
374	E	73.1	Confident	84.6	Confident	128 Å²	128	51.8 Å²	51.8	60%	0.598	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-31.9	177.7	-170.5	-177.6	167.8	0	0	110.7	D371 R376 H377	D371-E374 HydrophobicContact CB-CB 4.31Å; D371-E374 WeakPolarHBondContact O-CB 3.35Å; D371-E374 PolarHBondContact O-N 2.79Å; E374-R376 PolarHBondContact O-N 3.29Å; E374-H377 PolarHBondContact O-CE1 2.79Å
375	Y	70.6	Confident	84.2	Confident	65 Å²	65	53.7 Å²	53.7	26%	0.255	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	11.3	-177.6	-61	-72.8	0	0	0	114.3	P277 K368 D371 S372 S373 H377	P277-Y375 WeakPolarHBondContact CD-O 3.5Å; P277-Y375 WeakPolarHBondContact CG-O 3.42Å; K368-Y375 HydrophobicContact CB-CD2 3.98Å; K368-Y375 HydrophobicContact CB-CE2 3.87Å; K368-Y375 HydrophobicContact CD-CE1 4.46Å; K368-Y375 HydrophobicContact CG-CD2 4.22Å; K368-Y375 HydrophobicContact CG-CE1 4.26Å; K368-Y375 HydrophobicContact CG-CE2 3.88Å; D371-Y375 HydrophobicContact CB-CE2 4.06Å; D371-Y375 WeakPolarHBondContact O-CD2 3.19Å; S372-Y375 PolarHBondContact O-N 2.87Å; S373-Y375 PolarHBondContact O-N 2.7Å; Y375-H377 VanDerWaalsContact C-N 3.33Å; Y375-H377 WeakPolarHBondContact CA-ND1 3.1Å; Y375-H377 PolarHBondContact O-N 2.88Å; Y375-H377 PolarHBondContact O-ND1 2.78Å; Y375-H377 VanDerWaalsContact O-ND1 3.15Å
376	R	75.9	Confident	83.7	Confident	124 Å²	124	52.9 Å²	52.9	47%	0.468	27%	0.271	S	S	.	.			trans	-74.1	77.4	176.4	-70.8	-179.1	65.8	175.7	0.3	113	E275 S373 E374	E275-R376 CarbonylContact O-C 3.6Å; E275-R376 WeakPolarHBondContact O-CA 3.28Å; E275-R376 IonicContact OE2-CZ 3.72Å; E275-R376 IonicContact OE2-NE 3.99Å; E275-R376 PolarHBondContact OE2-NE 3.06Å; E275-R376 IonicContact OE2-NH2 2.58Å; E275-R376 PolarHBondContact OE2-NH2 2.94Å; S373-R376 WeakPolarHBondContact O-CB 3.26Å; S373-R376 WeakPolarHBondContact O-CG 3.37Å; S373-R376 PolarHBondContact O-N 3.27Å; E374-R376 PolarHBondContact O-N 3.29Å
377	H	77.2	Confident	83	Confident	112 Å²	112	51.9 Å²	51.9	52%	0.519	26%	0.264	S	S	.	.			trans	-106.8	29.1	-175.3	-62.8	86.1	0	0	0	114.2	E275 P277 E374 Y375	E275-H377 PolarHBondContact O-N 3.44Å; P277-H377 HydrophobicContact CG-CB 3.92Å; E374-H377 PolarHBondContact O-CE1 2.79Å; Y375-H377 VanDerWaalsContact C-N 3.33Å; Y375-H377 WeakPolarHBondContact CA-ND1 3.1Å; Y375-H377 PolarHBondContact O-N 2.88Å; Y375-H377 PolarHBondContact O-ND1 2.78Å; Y375-H377 VanDerWaalsContact O-ND1 3.15Å
378	G	81.7	Confident	82.7	Confident	23 Å²	23	48.1 Å²	48.1	24%	0.237	25%	0.252	C	S	.	.			trans	82	-168.4	175.3	0	0	0	0	0	114.3	P277	P277-G378 WeakPolarHBondContact CD-O 3.2Å
379	N	86.6	Confident	82.7	Confident	85 Å²	85	49.8 Å²	49.8	46%	0.455	26%	0.263	S	S	.	.			trans	-72.5	157.2	-171.4	-64.6	-20.6	0	0	0	113.2	A395	N379-A395 HydrophobicContact CB-CB 4.03Å; N379-A395 WeakPolarHBondContact O-CB 3.41Å; N379-A395 PolarHBondContact O-N 2.78Å
380	M	90.3	Very high	82.8	Confident	10 Å²	10	50.7 Å²	50.7	5%	0.049	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141	174.6	-68.4	-70	-74.8	0	0	110.4	P277 V280 Q281 F382 A392 Y393 P394	P277-M380 VanDerWaalsContact CA-CG 3.44Å; P277-M380 HydrophobicContact CB-CE 4.41Å; P277-M380 HydrophobicContact CB-CG 3.3Å; P277-M380 HydrophobicContact CB-SD 3.3Å; P277-M380 WeakPolarHBondContact CB-SD 3.45Å; V280-M380 HydrophobicContact CB-CB 4.34Å; V280-M380 HydrophobicContact CB-CG 4.2Å; V280-M380 HydrophobicContact CG1-CB 4.23Å; V280-M380 HydrophobicContact CG2-CB 4.16Å; V280-M380 HydrophobicContact CG2-CG 4.19Å; Q281-M380 HydrophobicContact CG-CE 4.02Å; M380-F382 HydrophobicContact CB-CD1 4.31Å; M380-A392 HydrophobicContact CE-CB 3.97Å; M380-Y393 VanDerWaalsContact CE-C 3.47Å; M380-Y393 VanDerWaalsContact SD-C 3.56Å; M380-P394 WeakPolarHBondContact SD-CA 2.96Å; M380-P394 HydrophobicContact SD-CB 4.24Å; M380-P394 HydrophobicContact SD-CG 4.09Å
381	V	93	Very high	83.2	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.03	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	126.4	157.7	-179.2	0	0	0	0	106.9	F383 A392 Y393 C529 Y532	V381-F383 HydrophobicContact CG1-CD1 4.19Å; V381-F383 HydrophobicContact CG1-CE1 4.25Å; V381-A392 CarbonylContact O-C 3.53Å; V381-A392 VanDerWaalsContact O-CA 3.25Å; V381-A392 WeakPolarHBondContact O-CA 3.49Å; V381-Y393 HydrophobicContact CB-CD2 3.97Å; V381-Y393 HydrophobicContact CB-CE1 4.26Å; V381-Y393 HydrophobicContact CB-CE2 3.5Å; V381-Y393 VanDerWaalsContact CB-CE2 3.5Å; V381-Y393 HydrophobicContact CG1-CE1 4.09Å; V381-Y393 HydrophobicContact CG1-CE2 3.93Å; V381-Y393 WeakPolarHBondContact CG1-OH 3.16Å; V381-Y393 HydrophobicContact CG2-CD2 4.25Å; V381-Y393 HydrophobicContact CG2-CE2 3.62Å; V381-Y393 PolarHBondContact N-O 2.81Å; V381-Y393 PolarHBondContact O-N 2.99Å; V381-C529 HydrophobicContact CG2-CB 3.92Å; V381-Y532 HydrophobicContact CG1-CD1 3.71Å; V381-Y532 HydrophobicContact CG1-CG 3.93Å
382	F	93.1	Very high	83.9	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	142.2	174.3	64.3	-88.5	0	0	0	112	V269 T272 V280 A292 V294 Q297 M380 V391 A392	V269-F382 HydrophobicContact CG1-CE2 4.33Å; T272-F382 HydrophobicContact CG2-CE1 4.25Å; T272-F382 HydrophobicContact CG2-CZ 4Å; V280-F382 HydrophobicContact CG1-CB 3.6Å; V280-F382 HydrophobicContact CG1-CD1 3.89Å; V280-F382 HydrophobicContact CG1-CG 3.8Å; V280-F382 HydrophobicContact CG2-CD1 4.3Å; A292-F382 HydrophobicContact CB-CD2 3.82Å; A292-F382 HydrophobicContact CB-CE2 4.14Å; V294-F382 HydrophobicContact CB-CD1 4.08Å; V294-F382 HydrophobicContact CB-CD2 4.45Å; V294-F382 HydrophobicContact CB-CE1 3.98Å; V294-F382 HydrophobicContact CB-CE2 4.36Å; V294-F382 HydrophobicContact CB-CG 4.33Å; V294-F382 HydrophobicContact CB-CZ 4.12Å; V294-F382 WeakPolarHBondContact CB-O 3.44Å; V294-F382 WeakPolarHBondContact CG1-O 3.46Å; V294-F382 HydrophobicContact CG2-CD1 4.27Å; V294-F382 HydrophobicContact CG2-CE1 3.97Å; V294-F382 HydrophobicContact CG2-CZ 4.42Å; V294-F382 PolarHBondContact N-O 3.02Å; Q297-F382 HydrophobicContact CB-CZ 4.39Å; M380-F382 HydrophobicContact CB-CD1 4.31Å; F382-V391 WeakPolarHBondContact CA-O 3.47Å; F382-A392 HydrophobicContact CB-CB 4.05Å
383	F	92.8	Very high	84.8	Confident	14 Å²	14	50.1 Å²	50.1	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	155.9	175.4	57.2	-85.7	0	0	0	109.3	A292 V381 L385 V391 Y393 Y532 H575	A292-F383 CarbonylContact O-C 3.57Å; A292-F383 VanDerWaalsContact O-CA 3.27Å; A292-F383 WeakPolarHBondContact O-CA 3.44Å; V381-F383 HydrophobicContact CG1-CD1 4.19Å; V381-F383 HydrophobicContact CG1-CE1 4.25Å; F383-L385 HydrophobicContact CD2-CD2 4.31Å; F383-L385 HydrophobicContact CD2-CG 4.44Å; F383-L385 HydrophobicContact CE2-CD2 4Å; F383-L385 HydrophobicContact CE2-CG 4.15Å; F383-V391 HydrophobicContact CD1-CB 4.47Å; F383-V391 HydrophobicContact CD2-CB 4.36Å; F383-V391 HydrophobicContact CE1-CB 4.04Å; F383-V391 HydrophobicContact CE1-CG1 3.96Å; F383-V391 HydrophobicContact CE2-CB 3.92Å; F383-V391 HydrophobicContact CE2-CG1 4.46Å; F383-V391 HydrophobicContact CE2-CG2 3.92Å; F383-V391 HydrophobicContact CZ-CB 3.74Å; F383-V391 HydrophobicContact CZ-CG1 3.79Å; F383-V391 HydrophobicContact CZ-CG2 4.06Å; F383-V391 PolarHBondContact N-O 2.77Å; F383-V391 PolarHBondContact O-N 3.26Å; F383-Y393 HydrophobicContact CE1-CE1 4.29Å; F383-Y532 HydrophobicContact CB-CE1 4.38Å; F383-Y532 HydrophobicContact CB-CE2 4.16Å; F383-Y532 WeakPolarHBondContact CB-OH 3.34Å; F383-Y532 HydrophobicContact CD1-CD1 4.1Å; F383-Y532 AromaticContact CD1-CD2 3.59Å; F383-Y532 HydrophobicContact CD1-CD2 3.59Å; F383-Y532 AromaticContact CD1-CE1 3.89Å; F383-Y532 HydrophobicContact CD1-CE1 3.89Å; F383-Y532 AromaticContact CD1-CE2 3.33Å; F383-Y532 HydrophobicContact CD1-CE2 3.33Å; F383-Y532 AromaticContact CD1-CG 3.98Å; F383-Y532 HydrophobicContact CD1-CG 3.98Å; F383-Y532 AromaticContact CD1-CZ 3.49Å; F383-Y532 VanDerWaalsContact CD1-CZ 3.49Å; F383-Y532 AromaticContact CD2-CE2 3.86Å; F383-Y532 HydrophobicContact CD2-CE2 3.86Å; F383-Y532 HydrophobicContact CE1-CD1 4.42Å; F383-Y532 AromaticContact CE1-CD2 3.36Å; F383-Y532 HydrophobicContact CE1-CD2 3.36Å; F383-Y532 AromaticContact CE1-CE2 3.54Å; F383-Y532 HydrophobicContact CE1-CE2 3.54Å; F383-Y532 AromaticContact CE1-CG 3.85Å; F383-Y532 HydrophobicContact CE1-CG 3.85Å; F383-Y532 HydrophobicContact CE2-CD2 4.4Å; F383-Y532 HydrophobicContact CE2-CE2 4.04Å; F383-Y532 HydrophobicContact CG-CD2 4.22Å; F383-Y532 HydrophobicContact CG-CE1 4.33Å; F383-Y532 AromaticContact CG-CE2 3.5Å; F383-Y532 HydrophobicContact CG-CE2 3.5Å; F383-Y532 AromaticContact CG-CZ 3.57Å; F383-Y532 AromaticContact CZ-CD2 3.81Å; F383-Y532 HydrophobicContact CZ-CD2 3.81Å; F383-Y532 AromaticContact CZ-CE2 3.9Å; F383-Y532 HydrophobicContact CZ-CE2 3.9Å; F383-H575 AromaticContact CD2-CE1 3.77Å
384	D	89.8	Confident	85.7	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.011	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	156	164.7	69.9	92.2	0	0	0	112.3	F291 A292 G387 I389 H575 F578	F291-D384 VanDerWaalsContact CD2-OD2 3.24Å; F291-D384 WeakPolarHBondContact CD2-OD2 3.17Å; A292-D384 PolarHBondContact N-OD2 3.09Å; A292-D384 PolarHBondContact O-N 3.06Å; A292-D384 VanDerWaalsContact O-N 3.09Å; D384-G387 VanDerWaalsContact OD1-CA 3.24Å; D384-G387 WeakPolarHBondContact OD1-CA 3.04Å; D384-G387 PolarHBondContact OD1-N 2.97Å; D384-I389 CarbonylContact C-O 3.34Å; D384-I389 VanDerWaalsContact CA-O 3.28Å; D384-I389 WeakPolarHBondContact CA-O 3.28Å; D384-H575 PolarHBondContact O-CE1 2.93Å; D384-F578 WeakPolarHBondContact OD1-CE1 3.25Å; D384-F578 WeakPolarHBondContact OD1-CZ 3.36Å
385	L	87.4	Confident	86.7	Confident	39 Å²	39	42.4 Å²	42.4	20%	0.204	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	104.4	166.7	-67.1	173.6	0	0	0	107.9	F383 G387 V388 I389 H575	F383-L385 HydrophobicContact CD2-CD2 4.31Å; F383-L385 HydrophobicContact CD2-CG 4.44Å; F383-L385 HydrophobicContact CE2-CD2 4Å; F383-L385 HydrophobicContact CE2-CG 4.15Å; L385-G387 PolarHBondContact O-N 3.22Å; L385-V388 PolarHBondContact O-N 2.99Å; L385-I389 PolarHBondContact N-O 2.98Å; L385-I389 PolarHBondContact O-N 3.44Å; L385-H575 HydrophobicContact CD2-CB 4.4Å
386	L	82.6	Confident	87.7	Confident	37 Å²	37	47.1 Å²	47.1	19%	0.194	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	27.8	176.4	-61.8	-179.6	0	0	0	114.2	V71 S74 V388 V574 F578	V71-L386 HydrophobicContact CG2-CD2 3.95Å; S74-L386 WeakPolarHBondContact OG-CA 3.17Å; S74-L386 PolarHBondContact OG-O 3.48Å; L386-V388 HydrophobicContact CB-CG2 4.44Å; L386-V388 WeakPolarHBondContact O-CG2 3.47Å; L386-V388 PolarHBondContact O-N 3.47Å; L386-V574 HydrophobicContact CD1-CG2 4.11Å; L386-V574 HydrophobicContact CD2-CG2 4.13Å; L386-F578 HydrophobicContact CD2-CB 4.34Å; L386-F578 HydrophobicContact CD2-CD2 4.17Å; L386-F578 HydrophobicContact CD2-CG 4.41Å
387	G	77.1	Confident	88.6	Confident	1 Å²	1	44 Å²	44	1%	0.01	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	17.3	-176.4	0	0	0	0	0	114.3	I80 P290 D384 L385	I80-G387 WeakPolarHBondContact CD1-O 3.46Å; P290-G387 CarbonylContact O-C 3.42Å; P290-G387 VanDerWaalsContact O-CA 3.25Å; P290-G387 WeakPolarHBondContact O-CA 3.38Å; D384-G387 VanDerWaalsContact OD1-CA 3.24Å; D384-G387 WeakPolarHBondContact OD1-CA 3.04Å; D384-G387 PolarHBondContact OD1-N 2.97Å; L385-G387 PolarHBondContact O-N 3.22Å
388	V	80.5	Confident	89.5	Confident	80 Å²	80	38.7 Å²	38.7	49%	0.485	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-45.5	-178.3	-175.1	0	0	0	0	111.4	L385 L386	L385-V388 PolarHBondContact O-N 2.99Å; L386-V388 HydrophobicContact CB-CG2 4.44Å; L386-V388 WeakPolarHBondContact O-CG2 3.47Å; L386-V388 PolarHBondContact O-N 3.47Å
389	I	86.4	Confident	90.3	Very high	103 Å²	103	40 Å²	40	53%	0.528	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.7	-176.7	-56.7	176.8	0	0	0	108.4	D384 L385	D384-I389 CarbonylContact C-O 3.34Å; D384-I389 VanDerWaalsContact CA-O 3.28Å; D384-I389 WeakPolarHBondContact CA-O 3.28Å; L385-I389 PolarHBondContact N-O 2.98Å; L385-I389 PolarHBondContact O-N 3.44Å
390	A	90.7	Very high	90.8	Very high	19 Å²	19	41 Å²	41	16%	0.157	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136	167.8	0	0	0	0	0	111.3	V284 P290	V284-A390 HydrophobicContact CB-CB 4.17Å; V284-A390 HydrophobicContact CG1-CB 3.85Å; V284-A390 HydrophobicContact CG2-CB 3.72Å; P290-A390 HydrophobicContact CB-CB 3.68Å; P290-A390 HydrophobicContact CG-CB 4.13Å
391	V	92.4	Very high	91.1	Very high	42 Å²	42	43.7 Å²	43.7	26%	0.255	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.7	173.6	-179.5	0	0	0	0	107.5	F382 F383 Y393	F382-V391 WeakPolarHBondContact CA-O 3.47Å; F383-V391 HydrophobicContact CD1-CB 4.47Å; F383-V391 HydrophobicContact CD2-CB 4.36Å; F383-V391 HydrophobicContact CE1-CB 4.04Å; F383-V391 HydrophobicContact CE1-CG1 3.96Å; F383-V391 HydrophobicContact CE2-CB 3.92Å; F383-V391 HydrophobicContact CE2-CG1 4.46Å; F383-V391 HydrophobicContact CE2-CG2 3.92Å; F383-V391 HydrophobicContact CZ-CB 3.74Å; F383-V391 HydrophobicContact CZ-CG1 3.79Å; F383-V391 HydrophobicContact CZ-CG2 4.06Å; F383-V391 PolarHBondContact N-O 2.77Å; F383-V391 PolarHBondContact O-N 3.26Å; V391-Y393 HydrophobicContact CG1-CD1 3.92Å; V391-Y393 HydrophobicContact CG1-CE1 3.93Å
392	A	93.5	Very high	91.4	Very high	32 Å²	32	43.9 Å²	43.9	26%	0.264	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.5	171.2	0	0	0	0	0	111.8	V280 V284 M380 V381 F382	V280-A392 HydrophobicContact CG1-CB 3.88Å; V284-A392 HydrophobicContact CB-CB 4.41Å; V284-A392 HydrophobicContact CG2-CB 3.69Å; M380-A392 HydrophobicContact CE-CB 3.97Å; V381-A392 CarbonylContact O-C 3.53Å; V381-A392 VanDerWaalsContact O-CA 3.25Å; V381-A392 WeakPolarHBondContact O-CA 3.49Å; F382-A392 HydrophobicContact CB-CB 4.05Å
393	Y	93.4	Very high	91.7	Very high	37 Å²	37	48.5 Å²	48.5	15%	0.145	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	155.9	174.4	53.1	-94.3	0	0	0	111.6	M380 V381 F383 V391 V397 G398 Y532	M380-Y393 VanDerWaalsContact CE-C 3.47Å; M380-Y393 VanDerWaalsContact SD-C 3.56Å; V381-Y393 HydrophobicContact CB-CD2 3.97Å; V381-Y393 HydrophobicContact CB-CE1 4.26Å; V381-Y393 HydrophobicContact CB-CE2 3.5Å; V381-Y393 VanDerWaalsContact CB-CE2 3.5Å; V381-Y393 HydrophobicContact CG1-CE1 4.09Å; V381-Y393 HydrophobicContact CG1-CE2 3.93Å; V381-Y393 WeakPolarHBondContact CG1-OH 3.16Å; V381-Y393 HydrophobicContact CG2-CD2 4.25Å; V381-Y393 HydrophobicContact CG2-CE2 3.62Å; V381-Y393 PolarHBondContact N-O 2.81Å; V381-Y393 PolarHBondContact O-N 2.99Å; F383-Y393 HydrophobicContact CE1-CE1 4.29Å; V391-Y393 HydrophobicContact CG1-CD1 3.92Å; V391-Y393 HydrophobicContact CG1-CE1 3.93Å; Y393-V397 HydrophobicContact CD2-CB 4.47Å; Y393-G398 VanDerWaalsContact CE2-CA 3.45Å; Y393-Y532 WeakPolarHBondContact OH-CB 3.1Å
394	P	92.5	Very high	91.9	Very high	34 Å²	34	54 Å²	54	22%	0.221	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	140	179.6	-25.5	35.4	0	0	0	112.8	M380 R396 V397 G398	M380-P394 WeakPolarHBondContact SD-CA 2.96Å; M380-P394 HydrophobicContact SD-CB 4.24Å; M380-P394 HydrophobicContact SD-CG 4.09Å; P394-R396 HydrophobicContact CB-CG 3.93Å; P394-R396 PolarHBondContact O-N 2.93Å; P394-R396 VanDerWaalsContact O-N 3.14Å; P394-V397 HydrophobicContact CB-CG2 4.22Å; P394-V397 HydrophobicContact CG-CG2 4.36Å; P394-V397 WeakPolarHBondContact O-CA 3.36Å; P394-V397 WeakPolarHBondContact O-CB 3.46Å; P394-V397 PolarHBondContact O-N 2.91Å; P394-G398 PolarHBondContact O-N 3.26Å; P394-G398 VanDerWaalsContact O-N 3.12Å
395	A	92.4	Very high	92.3	Very high	22 Å²	22	55 Å²	55	18%	0.182	29%	0.288	C	S	.	.	H	α-helix	trans	-54.5	-37.2	-179.9	0	0	0	0	0	112.3	N379 V397 G398 T399	N379-A395 HydrophobicContact CB-CB 4.03Å; N379-A395 WeakPolarHBondContact O-CB 3.41Å; N379-A395 PolarHBondContact O-N 2.78Å; A395-V397 VanDerWaalsContact C-N 3.31Å; A395-V397 PolarHBondContact O-N 3.35Å; A395-G398 CarbonylContact O-C 3.44Å; A395-G398 WeakPolarHBondContact O-CA 3.33Å; A395-G398 PolarHBondContact O-N 3.43Å; A395-G398 VanDerWaalsContact O-N 3.08Å; A395-T399 PolarHBondContact O-N 2.84Å; A395-T399 PolarHBondContact O-OG1 3.39Å; A395-T399 VanDerWaalsContact O-OG1 3.13Å
396	R	92.9	Very high	92.9	Very high	165 Å²	165	53.3 Å²	53.3	62%	0.623	28%	0.279	S	S	*	.	H	α-helix	trans	-57	-39.9	174.1	66	-175.8	-178.5	-169.9	-1.1	113.5	P394 T399 I400	P394-R396 HydrophobicContact CB-CG 3.93Å; P394-R396 PolarHBondContact O-N 2.93Å; P394-R396 VanDerWaalsContact O-N 3.14Å; R396-T399 PolarHBondContact O-N 2.82Å; R396-I400 WeakPolarHBondContact O-CG1 3.35Å; R396-I400 PolarHBondContact O-N 2.82Å; R396-I400 VanDerWaalsContact O-N 3.12Å
397	V	95.1	Very high	93.6	Very high	57 Å²	57	53.6 Å²	53.6	35%	0.345	29%	0.287	S	S	.	.	H	α-helix	trans	-69.8	-41.3	176.9	178.2	0	0	0	0	109.2	Y393 P394 A395 T399 I400 I401	Y393-V397 HydrophobicContact CD2-CB 4.47Å; P394-V397 HydrophobicContact CB-CG2 4.22Å; P394-V397 HydrophobicContact CG-CG2 4.36Å; P394-V397 WeakPolarHBondContact O-CA 3.36Å; P394-V397 WeakPolarHBondContact O-CB 3.46Å; P394-V397 PolarHBondContact O-N 2.91Å; A395-V397 VanDerWaalsContact C-N 3.31Å; A395-V397 PolarHBondContact O-N 3.35Å; V397-T399 PolarHBondContact O-N 3.05Å; V397-I400 PolarHBondContact O-N 2.89Å; V397-I401 HydrophobicContact CG1-CD1 3.9Å; V397-I401 HydrophobicContact CG1-CG1 4.46Å; V397-I401 WeakPolarHBondContact O-CG1 3.38Å; V397-I401 PolarHBondContact O-N 3.46Å
398	G	95.8	Very high	94.6	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-54.8	-49.6	171.4	0	0	0	0	0	112.8	Y393 P394 A395 I400 I401 N402	Y393-G398 VanDerWaalsContact CE2-CA 3.45Å; P394-G398 PolarHBondContact O-N 3.26Å; P394-G398 VanDerWaalsContact O-N 3.12Å; A395-G398 CarbonylContact O-C 3.44Å; A395-G398 WeakPolarHBondContact O-CA 3.33Å; A395-G398 PolarHBondContact O-N 3.43Å; A395-G398 VanDerWaalsContact O-N 3.08Å; G398-I400 VanDerWaalsContact C-N 3.33Å; G398-I400 PolarHBondContact O-N 2.82Å; G398-I401 PolarHBondContact O-N 3.24Å; G398-N402 WeakPolarHBondContact O-CB 3.47Å; G398-N402 PolarHBondContact O-N 2.86Å; G398-N402 PolarHBondContact O-ND2 2.78Å; G398-N402 PolarHBondContact O-OD1 2.86Å
399	T	96.9	Very high	95.4	Very high	50 Å²	50	51.9 Å²	51.9	31%	0.307	28%	0.281	S	S	.	.	H	α-helix	trans	-57	-44.8	177	-61.3	0	0	0	0	112	A395 R396 V397 N402 Y403 T524	A395-T399 PolarHBondContact O-N 2.84Å; A395-T399 PolarHBondContact O-OG1 3.39Å; A395-T399 VanDerWaalsContact O-OG1 3.13Å; R396-T399 PolarHBondContact O-N 2.82Å; V397-T399 PolarHBondContact O-N 3.05Å; T399-N402 PolarHBondContact O-N 2.97Å; T399-Y403 HydrophobicContact CG2-CD2 3.7Å; T399-Y403 HydrophobicContact CG2-CE2 3.41Å; T399-Y403 VanDerWaalsContact CG2-CE2 3.41Å; T399-Y403 WeakPolarHBondContact O-CD2 3.11Å; T399-Y403 PolarHBondContact O-N 3.35Å; T399-T524 HydrophobicContact CG2-CG2 3.84Å
400	I	97.8	Very high	95.9	Very high	107 Å²	107	52 Å²	52	55%	0.549	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-49.4	176.2	-66.2	164.9	0	0	0	110.5	R396 V397 G398 N402 Y403 M404	R396-I400 WeakPolarHBondContact O-CG1 3.35Å; R396-I400 PolarHBondContact O-N 2.82Å; R396-I400 VanDerWaalsContact O-N 3.12Å; V397-I400 PolarHBondContact O-N 2.89Å; G398-I400 VanDerWaalsContact C-N 3.33Å; G398-I400 PolarHBondContact O-N 2.82Å; I400-N402 VanDerWaalsContact C-N 3.32Å; I400-N402 PolarHBondContact O-N 2.95Å; I400-Y403 PolarHBondContact O-N 3.32Å; I400-M404 HydrophobicContact CG2-CG 4.29Å; I400-M404 WeakPolarHBondContact O-CB 3.41Å; I400-M404 VanDerWaalsContact O-CG 3.23Å; I400-M404 WeakPolarHBondContact O-CG 3.37Å; I400-M404 PolarHBondContact O-N 2.94Å
401	I	98	Very high	96.2	Very high	67 Å²	67	57 Å²	57	34%	0.344	30%	0.302	S	S	.	.	H	α-helix	trans	-58.4	-46	178.6	-68.4	168.1	0	0	0	110.5	V397 G398 Y403 M404 V405 M535	V397-I401 HydrophobicContact CG1-CD1 3.9Å; V397-I401 HydrophobicContact CG1-CG1 4.46Å; V397-I401 WeakPolarHBondContact O-CG1 3.38Å; V397-I401 PolarHBondContact O-N 3.46Å; G398-I401 PolarHBondContact O-N 3.24Å; I401-Y403 PolarHBondContact O-N 2.79Å; I401-M404 PolarHBondContact O-N 3.46Å; I401-V405 HydrophobicContact CG2-CG2 4.33Å; I401-V405 WeakPolarHBondContact O-CG2 3.29Å; I401-V405 PolarHBondContact O-N 2.73Å; I401-M535 HydrophobicContact CG2-CE 4.48Å; I401-M535 HydrophobicContact CG2-CG 4.28Å; I401-M535 HydrophobicContact CG2-SD 4.26Å
402	N	98.3	Very high	96.4	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.043	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-47.3	-179.9	-68.2	-6.1	0	0	0	111.4	G398 T399 I400 V405 A406 L520 T524 A531 M535	G398-N402 WeakPolarHBondContact O-CB 3.47Å; G398-N402 PolarHBondContact O-N 2.86Å; G398-N402 PolarHBondContact O-ND2 2.78Å; G398-N402 PolarHBondContact O-OD1 2.86Å; T399-N402 PolarHBondContact O-N 2.97Å; I400-N402 VanDerWaalsContact C-N 3.32Å; I400-N402 PolarHBondContact O-N 2.95Å; N402-V405 PolarHBondContact O-N 2.9Å; N402-A406 WeakPolarHBondContact O-CB 3.06Å; N402-A406 PolarHBondContact O-N 3.29Å; N402-L520 HydrophobicContact CB-CD1 3.7Å; N402-L520 HydrophobicContact CB-CG 4.29Å; N402-T524 HydrophobicContact CB-CG2 4.08Å; N402-T524 WeakPolarHBondContact CB-OG1 3.09Å; N402-T524 PolarHBondContact ND2-OG1 2.92Å; N402-A531 VanDerWaalsContact ND2-CB 3.33Å; N402-A531 WeakPolarHBondContact ND2-CB 3.47Å; N402-M535 WeakPolarHBondContact OD1-CG 3.38Å
403	Y	98.4	Very high	96.5	Very high	102 Å²	102	56 Å²	56	40%	0.4	29%	0.287	S	S	.	.	H	α-helix	trans	-67.9	-35.3	177.1	-74.3	-51.4	0	0	0	113	T399 I400 I401 A406 A407 T524	T399-Y403 HydrophobicContact CG2-CD2 3.7Å; T399-Y403 HydrophobicContact CG2-CE2 3.41Å; T399-Y403 VanDerWaalsContact CG2-CE2 3.41Å; T399-Y403 WeakPolarHBondContact O-CD2 3.11Å; T399-Y403 PolarHBondContact O-N 3.35Å; I400-Y403 PolarHBondContact O-N 3.32Å; I401-Y403 PolarHBondContact O-N 2.79Å; Y403-A406 PolarHBondContact O-N 2.88Å; Y403-A407 VanDerWaalsContact O-CB 3.22Å; Y403-A407 WeakPolarHBondContact O-CB 3.15Å; Y403-A407 PolarHBondContact O-N 3.03Å; Y403-T524 HydrophobicContact CD2-CG2 4.4Å; Y403-T524 HydrophobicContact CE1-CG2 4.23Å; Y403-T524 HydrophobicContact CE2-CG2 3.88Å
404	M	98.4	Very high	96.4	Very high	130 Å²	130	56.6 Å²	56.6	64%	0.64	30%	0.3	S	S	*	.	H	α-helix	trans	-64.3	-44	174.7	-72.2	-63.7	-67.6	0	0	111.8	I400 I401 A407 A408	I400-M404 HydrophobicContact CG2-CG 4.29Å; I400-M404 WeakPolarHBondContact O-CB 3.41Å; I400-M404 VanDerWaalsContact O-CG 3.23Å; I400-M404 WeakPolarHBondContact O-CG 3.37Å; I400-M404 PolarHBondContact O-N 2.94Å; I401-M404 PolarHBondContact O-N 3.46Å; M404-A407 PolarHBondContact O-N 3.46Å; M404-A408 WeakPolarHBondContact O-CB 3.48Å; M404-A408 PolarHBondContact O-N 3.45Å
405	V	98.4	Very high	96.4	Very high	22 Å²	22	62.7 Å²	62.7	13%	0.133	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-42	176.1	170.8	0	0	0	0	111.2	I401 N402 A408 T409 L520 M535 V538 A539	I401-V405 HydrophobicContact CG2-CG2 4.33Å; I401-V405 WeakPolarHBondContact O-CG2 3.29Å; I401-V405 PolarHBondContact O-N 2.73Å; N402-V405 PolarHBondContact O-N 2.9Å; V405-A408 PolarHBondContact O-N 2.89Å; V405-T409 PolarHBondContact O-N 2.89Å; V405-T409 PolarHBondContact O-OG1 3.22Å; V405-L520 HydrophobicContact CB-CD2 4.4Å; V405-L520 HydrophobicContact CG1-CD2 4.11Å; V405-M535 HydrophobicContact CB-CG 4.49Å; V405-M535 HydrophobicContact CG2-CG 4.22Å; V405-M535 HydrophobicContact CG2-SD 4.47Å; V405-V538 HydrophobicContact CG1-CB 3.88Å; V405-V538 HydrophobicContact CG1-CG1 3.47Å; V405-V538 VanDerWaalsContact CG1-CG1 3.47Å; V405-A539 HydrophobicContact CG1-CB 4.08Å; V405-A539 HydrophobicContact CG2-CB 4.2Å
406	A	98.3	Very high	96.3	Very high	3 Å²	3	63 Å²	63	3%	0.025	32%	0.32	C	S	.	.	H	α-helix	trans	-63.2	-46.7	175	0	0	0	0	0	111.5	N402 Y403 A408 T409 F410 L520 V521	N402-A406 WeakPolarHBondContact O-CB 3.06Å; N402-A406 PolarHBondContact O-N 3.29Å; Y403-A406 PolarHBondContact O-N 2.88Å; A406-A408 PolarHBondContact O-N 3.28Å; A406-T409 WeakPolarHBondContact O-CB 3.27Å; A406-T409 PolarHBondContact O-N 3.34Å; A406-T409 VanDerWaalsContact O-N 3.13Å; A406-F410 HydrophobicContact CB-CE2 4.41Å; A406-F410 WeakPolarHBondContact O-CD2 3.36Å; A406-F410 PolarHBondContact O-N 2.98Å; A406-L520 HydrophobicContact CB-CD2 4.41Å; A406-V521 HydrophobicContact CB-CG2 3.79Å
407	A	98.3	Very high	96.2	Very high	44 Å²	44	56.5 Å²	56.5	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-60.2	-44.2	176.7	0	0	0	0	0	111.7	Y403 M404 T409 F410 L411	Y403-A407 VanDerWaalsContact O-CB 3.22Å; Y403-A407 WeakPolarHBondContact O-CB 3.15Å; Y403-A407 PolarHBondContact O-N 3.03Å; M404-A407 PolarHBondContact O-N 3.46Å; A407-T409 VanDerWaalsContact C-N 3.27Å; A407-T409 PolarHBondContact O-N 3.4Å; A407-F410 PolarHBondContact O-N 3Å; A407-L411 WeakPolarHBondContact O-CB 3.28Å; A407-L411 VanDerWaalsContact O-CG 3.27Å; A407-L411 WeakPolarHBondContact O-CG 3.49Å; A407-L411 PolarHBondContact O-N 2.78Å
408	A	98.1	Very high	95.9	Very high	44 Å²	44	58.6 Å²	58.6	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-59	-39.4	174.8	0	0	0	0	0	112.2	M404 V405 A406 L411 Y412 L542	M404-A408 WeakPolarHBondContact O-CB 3.48Å; M404-A408 PolarHBondContact O-N 3.45Å; V405-A408 PolarHBondContact O-N 2.89Å; A406-A408 PolarHBondContact O-N 3.28Å; A408-L411 PolarHBondContact O-N 3.11Å; A408-Y412 WeakPolarHBondContact O-CB 3.02Å; A408-Y412 PolarHBondContact O-N 3.2Å; A408-L542 HydrophobicContact CB-CD2 4.21Å
409	T	97.7	Very high	95.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.8	-48.3	175.1	-60.7	0	0	0	0	111.6	V405 A406 A407 L411 Y412 L413 L513 C517 V538	V405-T409 PolarHBondContact O-N 2.89Å; V405-T409 PolarHBondContact O-OG1 3.22Å; A406-T409 WeakPolarHBondContact O-CB 3.27Å; A406-T409 PolarHBondContact O-N 3.34Å; A406-T409 VanDerWaalsContact O-N 3.13Å; A407-T409 VanDerWaalsContact C-N 3.27Å; A407-T409 PolarHBondContact O-N 3.4Å; T409-L411 VanDerWaalsContact C-N 3.33Å; T409-L411 PolarHBondContact O-N 3.33Å; T409-Y412 WeakPolarHBondContact O-CB 3.28Å; T409-Y412 PolarHBondContact O-N 3.27Å; T409-L413 HydrophobicContact CG2-CD1 4.13Å; T409-L413 HydrophobicContact CG2-CG 4.48Å; T409-L413 WeakPolarHBondContact O-CG 3.37Å; T409-L413 PolarHBondContact O-N 2.63Å; T409-L513 HydrophobicContact CG2-CD1 4.37Å; T409-L513 HydrophobicContact CG2-CD2 3.82Å; T409-L513 HydrophobicContact CG2-CG 3.71Å; T409-C517 HydrophobicContact CG2-CB 3.95Å; T409-V538 WeakPolarHBondContact OG1-CG1 3.45Å
410	F	96.6	Very high	94.5	Very high	105 Å²	105	64.9 Å²	64.9	46%	0.461	36%	0.355	S	S	.	.	H	α-helix	trans	-60.5	-41.9	176.1	-74.9	-62.6	0	0	0	112	A406 A407 L413 A414 V521	A406-F410 HydrophobicContact CB-CE2 4.41Å; A406-F410 WeakPolarHBondContact O-CD2 3.36Å; A406-F410 PolarHBondContact O-N 2.98Å; A407-F410 PolarHBondContact O-N 3Å; F410-L413 PolarHBondContact O-N 2.79Å; F410-A414 WeakPolarHBondContact O-CB 3.41Å; F410-A414 PolarHBondContact O-N 3.11Å; F410-V521 HydrophobicContact CE2-CG2 4.48Å
411	L	96.8	Very high	93.2	Very high	126 Å²	126	63 Å²	63	66%	0.66	36%	0.362	S	S	*	.	H	α-helix	trans	-63.3	-41.6	175.3	-71.2	173.4	0	0	0	112	A407 A408 T409 K415	A407-L411 WeakPolarHBondContact O-CB 3.28Å; A407-L411 VanDerWaalsContact O-CG 3.27Å; A407-L411 WeakPolarHBondContact O-CG 3.49Å; A407-L411 PolarHBondContact O-N 2.78Å; A408-L411 PolarHBondContact O-N 3.11Å; T409-L411 VanDerWaalsContact C-N 3.33Å; T409-L411 PolarHBondContact O-N 3.33Å; L411-K415 VanDerWaalsContact O-CB 3.24Å; L411-K415 WeakPolarHBondContact O-CB 3.38Å; L411-K415 PolarHBondContact O-N 2.77Å
412	Y	96.2	Very high	92.3	Very high	38 Å²	38	61.6 Å²	61.6	15%	0.149	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-49.5	174.8	163.7	-97.7	0	0	0	111.5	A408 T409 K415 K416 D510 L513 L542 R545 L546	A408-Y412 WeakPolarHBondContact O-CB 3.02Å; A408-Y412 PolarHBondContact O-N 3.2Å; T409-Y412 WeakPolarHBondContact O-CB 3.28Å; T409-Y412 PolarHBondContact O-N 3.27Å; Y412-K415 PolarHBondContact O-N 3.41Å; Y412-K416 PolarHBondContact O-N 2.86Å; Y412-K416 VanDerWaalsContact O-N 3.15Å; Y412-D510 WeakPolarHBondContact CE1-OD1 3.47Å; Y412-D510 PolarHBondContact OH-OD1 2.85Å; Y412-L513 HydrophobicContact CD1-CD2 3.86Å; Y412-L513 HydrophobicContact CE1-CD2 3.88Å; Y412-L542 HydrophobicContact CD1-CD1 4.09Å; Y412-L542 HydrophobicContact CD2-CD1 4.22Å; Y412-L542 HydrophobicContact CG-CD1 3.88Å; Y412-R545 HydrophobicContact CE2-CG 4.49Å; Y412-L546 HydrophobicContact CD2-CD2 4.02Å; Y412-L546 HydrophobicContact CE2-CD2 4.37Å
413	L	95.2	Very high	90.7	Very high	14 Å²	14	71.3 Å²	71.3	7%	0.073	39%	0.391	C	S	.	.	H	α-helix	trans	-66.8	-41.5	179.2	-64.9	176.6	0	0	0	111.8	T409 F410 K416 A417 Y427 D510 L514	T409-L413 HydrophobicContact CG2-CD1 4.13Å; T409-L413 HydrophobicContact CG2-CG 4.48Å; T409-L413 WeakPolarHBondContact O-CG 3.37Å; T409-L413 PolarHBondContact O-N 2.63Å; F410-L413 PolarHBondContact O-N 2.79Å; L413-K416 WeakPolarHBondContact O-CB 3Å; L413-K416 PolarHBondContact O-N 2.83Å; L413-A417 PolarHBondContact O-N 3.14Å; L413-Y427 WeakPolarHBondContact CD2-OH 3.47Å; L413-D510 HydrophobicContact CD2-CB 3.88Å; L413-L514 HydrophobicContact CD1-CB 4.34Å; L413-L514 HydrophobicContact CD1-CD1 4.08Å
414	A	93.1	Very high	89.4	Confident	49 Å²	49	70.6 Å²	70.6	41%	0.405	42%	0.415	S	S	.	.	H	α-helix	trans	-62.9	-46.1	176.9	0	0	0	0	0	111.4	F410 K416 A417 S418	F410-A414 WeakPolarHBondContact O-CB 3.41Å; F410-A414 PolarHBondContact O-N 3.11Å; A414-K416 PolarHBondContact O-N 2.9Å; A414-A417 WeakPolarHBondContact O-CB 3.47Å; A414-A417 PolarHBondContact O-N 2.61Å; A414-A417 VanDerWaalsContact O-N 3.07Å; A414-S418 PolarHBondContact O-N 3.43Å; A414-S418 PolarHBondContact O-OG 2.92Å
415	K	92.7	Very high	88.7	Confident	162 Å²	162	66.3 Å²	66.3	70%	0.704	41%	0.405	S	S	*	.	H	α-helix	trans	-56.9	-38.6	174.9	-177.8	176.6	-178.3	174.3	0	111.7	L411 Y412 S418	L411-K415 VanDerWaalsContact O-CB 3.24Å; L411-K415 WeakPolarHBondContact O-CB 3.38Å; L411-K415 PolarHBondContact O-N 2.77Å; Y412-K415 PolarHBondContact O-N 3.41Å; K415-S418 PolarHBondContact O-N 3.32Å
416	K	90.1	Very high	88.1	Confident	30 Å²	30	72.5 Å²	72.5	13%	0.13	43%	0.425	C	S	.	.	H	α-helix	trans	-69.5	-40.2	176.5	-165.6	168.6	179.8	177.7	0	111.9	Y412 L413 A414 S418 L419 N422 Y427 D506 D510	Y412-K416 PolarHBondContact O-N 2.86Å; Y412-K416 VanDerWaalsContact O-N 3.15Å; L413-K416 WeakPolarHBondContact O-CB 3Å; L413-K416 PolarHBondContact O-N 2.83Å; A414-K416 PolarHBondContact O-N 2.9Å; K416-S418 VanDerWaalsContact C-N 3.31Å; K416-S418 PolarHBondContact O-N 3.13Å; K416-L419 HydrophobicContact CG-CD1 4.43Å; K416-L419 PolarHBondContact O-N 3.44Å; K416-N422 PolarHBondContact O-ND2 2.97Å; K416-Y427 HydrophobicContact CB-CE1 4.25Å; K416-Y427 HydrophobicContact CD-CE2 3.82Å; K416-Y427 HydrophobicContact CG-CD2 4.49Å; K416-Y427 HydrophobicContact CG-CE1 4.29Å; K416-Y427 HydrophobicContact CG-CE2 4.06Å; K416-D506 WeakPolarHBondContact CE-OD2 3.48Å; K416-D506 IonicContact NZ-OD1 3.93Å; K416-D506 PolarHBondContact NZ-OD1 3.01Å; K416-D506 IonicContact NZ-OD2 3.48Å; K416-D506 PolarHBondContact NZ-OD2 3.46Å; K416-D510 WeakPolarHBondContact CD-OD2 3.27Å; K416-D510 VanDerWaalsContact CE-OD2 3.32Å; K416-D510 WeakPolarHBondContact CE-OD2 3.38Å; K416-D510 IonicContact NZ-OD1 3.84Å; K416-D510 PolarHBondContact NZ-OD1 3.03Å; K416-D510 IonicContact NZ-OD2 2.87Å; K416-D510 PolarHBondContact NZ-OD2 2.75Å
417	A	89.8	Confident	87.7	Confident	28 Å²	28	73.2 Å²	73.2	23%	0.231	43%	0.427	C	S	.	.	H	α-helix	trans	-63.3	-35.1	174	0	0	0	0	0	112.8	L413 A414 L419 N422 Y427 V428	L413-A417 PolarHBondContact O-N 3.14Å; A414-A417 WeakPolarHBondContact O-CB 3.47Å; A414-A417 PolarHBondContact O-N 2.61Å; A414-A417 VanDerWaalsContact O-N 3.07Å; A417-L419 VanDerWaalsContact C-N 3.32Å; A417-L419 PolarHBondContact O-N 3.28Å; A417-N422 WeakPolarHBondContact O-CB 3.3Å; A417-Y427 HydrophobicContact CB-CD1 3.81Å; A417-Y427 HydrophobicContact CB-CE1 4.32Å; A417-V428 HydrophobicContact CB-CG2 3.95Å
418	S	88.2	Confident	87.4	Confident	101 Å²	101	75 Å²	75	71%	0.706	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-2	-179	-55.4	0	0	0	0	115.2	A414 K415 K416	A414-S418 PolarHBondContact O-N 3.43Å; A414-S418 PolarHBondContact O-OG 2.92Å; K415-S418 PolarHBondContact O-N 3.32Å; K416-S418 VanDerWaalsContact C-N 3.31Å; K416-S418 PolarHBondContact O-N 3.13Å
419	L	87.8	Confident	87	Confident	84 Å²	84	80 Å²	80	44%	0.44	44%	0.443	S	S	.	.	S	Bend	trans	-63.1	145.6	179.8	-73.3	170.5	0	0	0	111.8	K416 A417 G421 N422	K416-L419 HydrophobicContact CG-CD1 4.43Å; K416-L419 PolarHBondContact O-N 3.44Å; A417-L419 VanDerWaalsContact C-N 3.32Å; A417-L419 PolarHBondContact O-N 3.28Å; L419-G421 PolarHBondContact O-N 3.02Å; L419-N422 WeakPolarHBondContact O-CB 3.4Å; L419-N422 PolarHBondContact O-N 3.37Å
420	P	75.5	Confident	86.7	Confident	98 Å²	98	82.4 Å²	82.4	64%	0.636	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-56	-30.9	-175.3	-26.9	33.8	0	0	0	115.1	N422 R423	P420-N422 VanDerWaalsContact C-N 3.25Å; P420-N422 PolarHBondContact O-N 3.07Å; P420-R423 WeakPolarHBondContact O-CG 3.38Å
421	G	71.2	Confident	86.7	Confident	67 Å²	67	78.1 Å²	78.1	69%	0.691	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-73.7	-10.8	176.2	0	0	0	0	0	115	L419	L419-G421 PolarHBondContact O-N 3.02Å
422	N	78.8	Confident	86.6	Confident	38 Å²	38	75 Å²	75	20%	0.203	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-109.1	11.8	-176.9	-68.4	-21.4	0	0	0	113	K416 A417 L419 P420 G424 G425	K416-N422 PolarHBondContact O-ND2 2.97Å; A417-N422 WeakPolarHBondContact O-CB 3.3Å; L419-N422 WeakPolarHBondContact O-CB 3.4Å; L419-N422 PolarHBondContact O-N 3.37Å; P420-N422 VanDerWaalsContact C-N 3.25Å; P420-N422 PolarHBondContact O-N 3.07Å; N422-G424 PolarHBondContact O-N 3.36Å; N422-G425 PolarHBondContact O-N 3.31Å
423	R	64.6	Low	86.5	Confident	212 Å²	212	75.4 Å²	75.4	80%	0.8	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	136.1	174.4	-76.3	178.6	179.1	177.4	0.6	110.7	P420	P420-R423 WeakPolarHBondContact O-CG 3.38Å
424	G	72.2	Confident	86.5	Confident	88 Å²	88	74.8 Å²	74.8	91%	0.907	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	15.1	-177.2	0	0	0	0	0	115.7	N422 R426	N422-G424 PolarHBondContact O-N 3.36Å; G424-R426 VanDerWaalsContact C-N 3.33Å; G424-R426 PolarHBondContact O-N 3Å
425	G	82.4	Confident	86.7	Confident	40 Å²	40	73.5 Å²	73.5	41%	0.412	42%	0.422	S	S	.	.	S	Bend	trans	78.4	10.9	171.6	0	0	0	0	0	115.4	N422 Y427 V428 R429	N422-G425 PolarHBondContact O-N 3.31Å; G425-Y427 PolarHBondContact O-N 3.08Å; G425-V428 PolarHBondContact O-N 3.11Å; G425-V428 VanDerWaalsContact O-N 3.15Å; G425-R429 PolarHBondContact O-N 3.06Å
426	R	86	Confident	86.9	Confident	152 Å²	152	67.6 Å²	67.6	57%	0.574	41%	0.408	S	S	*	.	H	α-helix	trans	-54.1	-50.8	-176.7	-172.2	-174.9	-59.7	-139.5	-0.1	112.8	G424 V428 R429 D430	G424-R426 VanDerWaalsContact C-N 3.33Å; G424-R426 PolarHBondContact O-N 3Å; R426-V428 VanDerWaalsContact C-N 3.33Å; R426-V428 PolarHBondContact O-N 3.1Å; R426-R429 PolarHBondContact O-N 2.92Å; R426-D430 PolarHBondContact O-N 3.42Å
427	Y	90	Very high	87.2	Confident	17 Å²	17	67.8 Å²	67.8	7%	0.067	41%	0.411	C	S	.	.	H	α-helix	trans	-60.3	-41.4	178.7	169.6	-101.1	0	0	0	112.5	L413 K416 A417 G425 D430 L431 L507 D510	L413-Y427 WeakPolarHBondContact CD2-OH 3.47Å; K416-Y427 HydrophobicContact CB-CE1 4.25Å; K416-Y427 HydrophobicContact CD-CE2 3.82Å; K416-Y427 HydrophobicContact CG-CD2 4.49Å; K416-Y427 HydrophobicContact CG-CE1 4.29Å; K416-Y427 HydrophobicContact CG-CE2 4.06Å; A417-Y427 HydrophobicContact CB-CD1 3.81Å; A417-Y427 HydrophobicContact CB-CE1 4.32Å; G425-Y427 PolarHBondContact O-N 3.08Å; Y427-D430 PolarHBondContact O-N 3.21Å; Y427-L431 HydrophobicContact CE1-CD2 4.15Å; Y427-L431 VanDerWaalsContact O-CB 3.24Å; Y427-L431 WeakPolarHBondContact O-CB 3.36Å; Y427-L431 PolarHBondContact O-N 3.23Å; Y427-L507 HydrophobicContact CE2-CD1 4.18Å; Y427-D510 PolarHBondContact OH-OD2 3.23Å
428	V	91.6	Very high	87.5	Confident	82 Å²	82	66.5 Å²	66.5	50%	0.497	40%	0.4	S	S	.	.	H	α-helix	trans	-64.8	-43	179.3	178	0	0	0	0	110.6	A417 G425 R426 L431 A432	A417-V428 HydrophobicContact CB-CG2 3.95Å; G425-V428 PolarHBondContact O-N 3.11Å; G425-V428 VanDerWaalsContact O-N 3.15Å; R426-V428 VanDerWaalsContact C-N 3.33Å; R426-V428 PolarHBondContact O-N 3.1Å; V428-L431 PolarHBondContact O-N 3.23Å; V428-A432 WeakPolarHBondContact O-CB 3.42Å; V428-A432 PolarHBondContact O-N 3.38Å
429	R	91.4	Very high	87.9	Confident	148 Å²	148	65 Å²	65	56%	0.558	39%	0.387	S	S	*	.	H	α-helix	trans	-61.2	-48.3	174.4	-177.1	-164.3	65.9	-174.3	0.6	111.3	G425 R426 L431 A432 C433	G425-R429 PolarHBondContact O-N 3.06Å; R426-R429 PolarHBondContact O-N 2.92Å; R429-L431 VanDerWaalsContact C-N 3.32Å; R429-L431 PolarHBondContact O-N 3.31Å; R429-A432 PolarHBondContact O-N 2.93Å; R429-C433 WeakPolarHBondContact O-CB 3.42Å; R429-C433 PolarHBondContact O-N 2.86Å; R429-C433 PolarHBondContact O-SG 3.21Å; R429-C433 VanDerWaalsContact O-SG 3.35Å
430	D	91.6	Very high	88.3	Confident	51 Å²	51	66.1 Å²	66.1	27%	0.273	39%	0.393	S	S	.	.	H	α-helix	trans	-65.6	-37.7	-178	-60.6	-11.5	0	0	0	111	R426 Y427 A434 L507	R426-D430 PolarHBondContact O-N 3.42Å; Y427-D430 PolarHBondContact O-N 3.21Å; D430-A434 VanDerWaalsContact O-CB 3.25Å; D430-A434 WeakPolarHBondContact O-CB 3.46Å; D430-A434 PolarHBondContact O-N 3.48Å; D430-L507 HydrophobicContact CB-CD2 4.36Å
431	L	94.9	Very high	89.3	Confident	16 Å²	16	61.5 Å²	61.5	8%	0.084	36%	0.363	C	S	.	.	H	α-helix	trans	-63.7	-44.6	172	-177.7	65.9	0	0	0	111.8	Y427 V428 R429 A434 T435 L507 D510 V511 L514	Y427-L431 HydrophobicContact CE1-CD2 4.15Å; Y427-L431 VanDerWaalsContact O-CB 3.24Å; Y427-L431 WeakPolarHBondContact O-CB 3.36Å; Y427-L431 PolarHBondContact O-N 3.23Å; V428-L431 PolarHBondContact O-N 3.23Å; R429-L431 VanDerWaalsContact C-N 3.32Å; R429-L431 PolarHBondContact O-N 3.31Å; L431-A434 PolarHBondContact O-N 3.26Å; L431-T435 VanDerWaalsContact O-CB 3.29Å; L431-T435 WeakPolarHBondContact O-CB 3.41Å; L431-T435 PolarHBondContact O-N 3.17Å; L431-T435 PolarHBondContact O-OG1 3.1Å; L431-L507 HydrophobicContact CB-CD1 4.17Å; L431-L507 HydrophobicContact CD1-CD1 4.1Å; L431-D510 HydrophobicContact CD1-CB 3.99Å; L431-V511 HydrophobicContact CD1-CG2 3.78Å; L431-L514 HydrophobicContact CD2-CD2 4.13Å; L431-L514 HydrophobicContact CG-CD2 4.19Å
432	A	95.3	Very high	90.6	Very high	61 Å²	61	60.9 Å²	60.9	50%	0.504	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-45.4	176.7	0	0	0	0	0	111.7	V428 R429 T435 G436	V428-A432 WeakPolarHBondContact O-CB 3.42Å; V428-A432 PolarHBondContact O-N 3.38Å; R429-A432 PolarHBondContact O-N 2.93Å; A432-T435 PolarHBondContact O-N 2.92Å; A432-G436 PolarHBondContact O-N 3.19Å
433	C	94.5	Very high	91.5	Very high	46 Å²	46	65.2 Å²	65.2	31%	0.311	36%	0.357	S	S	.	.	H	α-helix	trans	-61.9	-46.8	175.4	-70.3	0	0	0	0	111.8	R429 T435 G436 V437	R429-C433 WeakPolarHBondContact O-CB 3.42Å; R429-C433 PolarHBondContact O-N 2.86Å; R429-C433 PolarHBondContact O-SG 3.21Å; R429-C433 VanDerWaalsContact O-SG 3.35Å; C433-T435 VanDerWaalsContact C-N 3.32Å; C433-T435 PolarHBondContact O-N 2.78Å; C433-G436 PolarHBondContact O-N 3.22Å; C433-V437 WeakPolarHBondContact O-CG2 3.47Å; C433-V437 PolarHBondContact O-N 3.32Å
434	A	95.6	Very high	93.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.9	-36.2	178.4	0	0	0	0	0	112.4	D430 L431 V437 A438 L507 Y508 V511	D430-A434 VanDerWaalsContact O-CB 3.25Å; D430-A434 WeakPolarHBondContact O-CB 3.46Å; D430-A434 PolarHBondContact O-N 3.48Å; L431-A434 PolarHBondContact O-N 3.26Å; A434-V437 PolarHBondContact O-N 3.46Å; A434-A438 PolarHBondContact O-N 3.23Å; A434-L507 HydrophobicContact CB-CD2 3.84Å; A434-L507 HydrophobicContact CB-CG 4.07Å; A434-Y508 HydrophobicContact CB-CE1 4.37Å; A434-Y508 HydrophobicContact CB-CE2 4.13Å; A434-V511 HydrophobicContact CB-CG2 3.59Å
435	T	97	Very high	94.3	Very high	22 Å²	22	53.3 Å²	53.3	14%	0.135	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-44.5	172.2	-56.4	0	0	0	0	110.8	L431 A432 C433 V437 A438 V439 L515	L431-T435 VanDerWaalsContact O-CB 3.29Å; L431-T435 WeakPolarHBondContact O-CB 3.41Å; L431-T435 PolarHBondContact O-N 3.17Å; L431-T435 PolarHBondContact O-OG1 3.1Å; A432-T435 PolarHBondContact O-N 2.92Å; C433-T435 VanDerWaalsContact C-N 3.32Å; C433-T435 PolarHBondContact O-N 2.78Å; T435-V437 VanDerWaalsContact C-N 3.33Å; T435-V437 PolarHBondContact O-N 3.25Å; T435-A438 PolarHBondContact O-N 2.96Å; T435-V439 HydrophobicContact CG2-CG2 4.39Å; T435-V439 WeakPolarHBondContact O-CG2 3.05Å; T435-V439 PolarHBondContact O-N 3.42Å; T435-L515 HydrophobicContact CG2-CD1 4.46Å; T435-L515 HydrophobicContact CG2-CD2 3.72Å; T435-L515 HydrophobicContact CG2-CG 4.15Å
436	G	96.4	Very high	95.1	Very high	39 Å²	39	54.2 Å²	54.2	40%	0.402	29%	0.285	S	S	.	.	H	α-helix	trans	-58.4	-42.7	173.7	0	0	0	0	0	112.6	A432 C433 L440	A432-G436 PolarHBondContact O-N 3.19Å; C433-G436 PolarHBondContact O-N 3.22Å; G436-L440 WeakPolarHBondContact O-CB 3.41Å; G436-L440 PolarHBondContact O-N 3.49Å
437	V	95.8	Very high	95.7	Very high	34 Å²	34	51.1 Å²	51.1	21%	0.206	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-43.1	174.8	172.2	0	0	0	0	111.6	C433 A434 T435 G441 A491	C433-V437 WeakPolarHBondContact O-CG2 3.47Å; C433-V437 PolarHBondContact O-N 3.32Å; A434-V437 PolarHBondContact O-N 3.46Å; T435-V437 VanDerWaalsContact C-N 3.33Å; T435-V437 PolarHBondContact O-N 3.25Å; V437-G441 WeakPolarHBondContact O-CA 3.46Å; V437-G441 PolarHBondContact O-N 2.9Å; V437-A491 HydrophobicContact CG1-CB 4.02Å
438	A	96.4	Very high	96.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-50.3	178.7	0	0	0	0	0	112	A434 T435 G441 W442 V511 L515	A434-A438 PolarHBondContact O-N 3.23Å; T435-A438 PolarHBondContact O-N 2.96Å; A438-G441 CarbonylContact O-C 3.38Å; A438-G441 WeakPolarHBondContact O-CA 3.19Å; A438-G441 PolarHBondContact O-N 2.82Å; A438-G441 VanDerWaalsContact O-N 3.15Å; A438-W442 VanDerWaalsContact O-CD1 3.25Å; A438-W442 VanDerWaalsContact O-CG 3.27Å; A438-W442 PolarHBondContact O-N 3.06Å; A438-V511 HydrophobicContact CB-CG1 3.87Å; A438-L515 HydrophobicContact CB-CD1 4.2Å
439	V	96.9	Very high	96.4	Very high	69 Å²	69	47.9 Å²	47.9	42%	0.418	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-45.2	-179.1	173.8	0	0	0	0	111.5	T435 G441 W442 F443 L515	T435-V439 HydrophobicContact CG2-CG2 4.39Å; T435-V439 WeakPolarHBondContact O-CG2 3.05Å; T435-V439 PolarHBondContact O-N 3.42Å; V439-G441 PolarHBondContact O-N 3.21Å; V439-W442 PolarHBondContact O-N 2.88Å; V439-F443 PolarHBondContact O-N 3.44Å; V439-L515 HydrophobicContact CG2-CD1 4.38Å; V439-L515 HydrophobicContact CG2-CD2 3.78Å
440	L	96.6	Very high	96.7	Very high	108 Å²	108	43.2 Å²	43.2	57%	0.565	25%	0.249	S	C	*	.	H	α-helix	trans	-62	-37.7	174	-177.9	62.2	0	0	0	110.7	G436 F443 V444	G436-L440 WeakPolarHBondContact O-CB 3.41Å; G436-L440 PolarHBondContact O-N 3.49Å; L440-F443 PolarHBondContact O-N 3.46Å; L440-V444 HydrophobicContact CD1-CG2 4.17Å; L440-V444 HydrophobicContact CG-CG2 4.28Å; L440-V444 WeakPolarHBondContact O-CB 3.4Å; L440-V444 VanDerWaalsContact O-CG2 3.27Å; L440-V444 WeakPolarHBondContact O-CG2 3.48Å; L440-V444 PolarHBondContact O-N 2.78Å
441	G	96.8	Very high	97.1	Very high	1 Å²	1	45 Å²	45	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-41.3	175.9	0	0	0	0	0	113	V437 A438 V439 T445	V437-G441 WeakPolarHBondContact O-CA 3.46Å; V437-G441 PolarHBondContact O-N 2.9Å; A438-G441 CarbonylContact O-C 3.38Å; A438-G441 WeakPolarHBondContact O-CA 3.19Å; A438-G441 PolarHBondContact O-N 2.82Å; A438-G441 VanDerWaalsContact O-N 3.15Å; V439-G441 PolarHBondContact O-N 3.21Å; G441-T445 VanDerWaalsContact O-CB 3.25Å; G441-T445 WeakPolarHBondContact O-CB 3.41Å; G441-T445 PolarHBondContact O-N 3.18Å; G441-T445 PolarHBondContact O-OG1 3.07Å
442	W	97.4	Very high	97.2	Very high	54 Å²	54	44.9 Å²	44.9	21%	0.205	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-46.7	173.5	-61.3	-13.3	0	0	0	111.6	A438 V439 T445 L446 M484 L515 V613	A438-W442 VanDerWaalsContact O-CD1 3.25Å; A438-W442 VanDerWaalsContact O-CG 3.27Å; A438-W442 PolarHBondContact O-N 3.06Å; V439-W442 PolarHBondContact O-N 2.88Å; W442-T445 WeakPolarHBondContact O-CB 3.48Å; W442-T445 PolarHBondContact O-N 3.19Å; W442-L446 PolarHBondContact O-N 2.91Å; W442-M484 VanDerWaalsContact CD1-CE 3.41Å; W442-L515 HydrophobicContact CH2-CB 4.09Å; W442-L515 HydrophobicContact CH2-CD1 3.42Å; W442-L515 VanDerWaalsContact CH2-CD1 3.42Å; W442-L515 HydrophobicContact CH2-CG 4.23Å; W442-L515 HydrophobicContact CZ2-CD1 3.82Å; W442-L515 HydrophobicContact CZ3-CD1 3.99Å; W442-V613 HydrophobicContact CB-CG1 4.5Å; W442-V613 HydrophobicContact CB-CG2 4.35Å; W442-V613 HydrophobicContact CD2-CG1 3.55Å; W442-V613 HydrophobicContact CE3-CG1 4.05Å; W442-V613 HydrophobicContact CG-CG1 3.76Å; W442-V613 HydrophobicContact CG-CG2 4.17Å; W442-V613 HydrophobicContact CH2-CG1 4.41Å; W442-V613 HydrophobicContact CZ2-CG1 4Å; W442-V613 HydrophobicContact CZ3-CG1 4.45Å
443	F	97.8	Very high	97.4	Very high	130 Å²	130	42 Å²	42	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-61.8	-48.3	178.1	179.5	-100.8	0	0	0	112.3	V439 L440 T445 L446 L447	V439-F443 PolarHBondContact O-N 3.44Å; L440-F443 PolarHBondContact O-N 3.46Å; F443-T445 VanDerWaalsContact C-N 3.26Å; F443-T445 PolarHBondContact O-N 2.68Å; F443-L446 PolarHBondContact O-N 2.67Å; F443-L447 WeakPolarHBondContact O-CB 3.41Å; F443-L447 PolarHBondContact O-N 2.74Å
444	V	98	Very high	97.5	Very high	49 Å²	49	44.4 Å²	44.4	30%	0.297	24%	0.243	S	C	.	.	H	α-helix	trans	-62.7	-35.9	177.4	170.2	0	0	0	0	111.2	L440 S448 I487	L440-V444 HydrophobicContact CD1-CG2 4.17Å; L440-V444 HydrophobicContact CG-CG2 4.28Å; L440-V444 WeakPolarHBondContact O-CB 3.4Å; L440-V444 VanDerWaalsContact O-CG2 3.27Å; L440-V444 WeakPolarHBondContact O-CG2 3.48Å; L440-V444 PolarHBondContact O-N 2.78Å; V444-S448 WeakPolarHBondContact O-CB 3.17Å; V444-S448 PolarHBondContact O-N 2.96Å; V444-S448 PolarHBondContact O-OG 3.36Å; V444-I487 HydrophobicContact CB-CD1 4.28Å; V444-I487 HydrophobicContact CG1-CD1 4.11Å
445	T	98.4	Very high	97.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-51.8	175.3	-62.5	0	0	0	0	110.9	G441 W442 F443 L447 S448 V449 A480 K483 M484 T609	G441-T445 VanDerWaalsContact O-CB 3.25Å; G441-T445 WeakPolarHBondContact O-CB 3.41Å; G441-T445 PolarHBondContact O-N 3.18Å; G441-T445 PolarHBondContact O-OG1 3.07Å; W442-T445 WeakPolarHBondContact O-CB 3.48Å; W442-T445 PolarHBondContact O-N 3.19Å; F443-T445 VanDerWaalsContact C-N 3.26Å; F443-T445 PolarHBondContact O-N 2.68Å; T445-L447 VanDerWaalsContact C-N 3.35Å; T445-L447 PolarHBondContact O-N 2.57Å; T445-S448 WeakPolarHBondContact O-CB 3.32Å; T445-S448 PolarHBondContact O-N 2.83Å; T445-S448 VanDerWaalsContact O-N 3.11Å; T445-V449 WeakPolarHBondContact O-CG2 3.45Å; T445-V449 PolarHBondContact O-N 2.92Å; T445-A480 HydrophobicContact CG2-CB 3.93Å; T445-K483 HydrophobicContact CG2-CB 4.25Å; T445-M484 HydrophobicContact CG2-CG 4.01Å; T445-M484 PolarHBondContact OG1-SD 3.27Å; T445-M484 VanDerWaalsContact OG1-SD 3.36Å; T445-T609 HydrophobicContact CG2-CG2 4.08Å
446	L	98.3	Very high	97.7	Very high	59 Å²	59	47 Å²	47	31%	0.309	26%	0.255	S	S	.	.	H	α-helix	trans	-55.8	-49.4	176.8	179.6	62.2	0	0	0	111.3	W442 F443 S448 V449 L450 T609	W442-L446 PolarHBondContact O-N 2.91Å; F443-L446 PolarHBondContact O-N 2.67Å; L446-S448 VanDerWaalsContact C-N 3.29Å; L446-S448 PolarHBondContact O-N 3.41Å; L446-V449 PolarHBondContact O-N 3.21Å; L446-L450 HydrophobicContact CD1-CD1 4.15Å; L446-L450 HydrophobicContact CD1-CG 4.09Å; L446-L450 HydrophobicContact CG-CD1 3.95Å; L446-L450 HydrophobicContact CG-CG 4.3Å; L446-L450 WeakPolarHBondContact O-CB 3.34Å; L446-L450 VanDerWaalsContact O-CG 3.28Å; L446-L450 WeakPolarHBondContact O-CG 3.1Å; L446-L450 PolarHBondContact O-N 3.32Å; L446-T609 HydrophobicContact CB-CG2 4.25Å; L446-T609 HydrophobicContact CD1-CG2 4.17Å
447	L	98.3	Very high	97.7	Very high	88 Å²	88	46.8 Å²	46.8	46%	0.461	25%	0.246	S	C	.	.	H	α-helix	trans	-58.8	-41.5	177.4	-177	61.9	0	0	0	112.1	F443 T445 V449 L450 I451	F443-L447 WeakPolarHBondContact O-CB 3.41Å; F443-L447 PolarHBondContact O-N 2.74Å; T445-L447 VanDerWaalsContact C-N 3.35Å; T445-L447 PolarHBondContact O-N 2.57Å; L447-V449 PolarHBondContact O-N 2.79Å; L447-L450 PolarHBondContact O-N 3.49Å; L447-I451 HydrophobicContact CG-CD1 4.28Å; L447-I451 VanDerWaalsContact O-CG1 3.27Å; L447-I451 WeakPolarHBondContact O-CG1 2.97Å; L447-I451 PolarHBondContact O-N 2.87Å
448	S	98.1	Very high	97.7	Very high	31 Å²	31	51.4 Å²	51.4	22%	0.217	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-43	177.9	-58.4	0	0	0	0	111.8	V444 T445 L446 I451 V452 K483	V444-S448 WeakPolarHBondContact O-CB 3.17Å; V444-S448 PolarHBondContact O-N 2.96Å; V444-S448 PolarHBondContact O-OG 3.36Å; T445-S448 WeakPolarHBondContact O-CB 3.32Å; T445-S448 PolarHBondContact O-N 2.83Å; T445-S448 VanDerWaalsContact O-N 3.11Å; L446-S448 VanDerWaalsContact C-N 3.29Å; L446-S448 PolarHBondContact O-N 3.41Å; S448-I451 PolarHBondContact O-N 3.25Å; S448-V452 PolarHBondContact O-N 3.06Å; S448-K483 VanDerWaalsContact OG-CE 3.28Å; S448-K483 WeakPolarHBondContact OG-CE 3.28Å
449	V	98.6	Very high	97.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-70.9	-37.8	178.6	-176.2	0	0	0	0	110.9	T445 L446 L447 I451 V452 A453 Y476 A479 A480 A605	T445-V449 WeakPolarHBondContact O-CG2 3.45Å; T445-V449 PolarHBondContact O-N 2.92Å; L446-V449 PolarHBondContact O-N 3.21Å; L447-V449 PolarHBondContact O-N 2.79Å; V449-I451 VanDerWaalsContact C-N 3.3Å; V449-I451 PolarHBondContact O-N 2.94Å; V449-V452 CarbonylContact O-C 3.43Å; V449-V452 WeakPolarHBondContact O-CA 3.47Å; V449-V452 WeakPolarHBondContact O-CB 3.29Å; V449-V452 PolarHBondContact O-N 3.21Å; V449-A453 PolarHBondContact O-N 2.77Å; V449-Y476 HydrophobicContact CG1-CD1 3.55Å; V449-Y476 HydrophobicContact CG1-CE1 4.42Å; V449-Y476 HydrophobicContact CG1-CG 3.9Å; V449-A479 HydrophobicContact CG2-CB 4.2Å; V449-A480 HydrophobicContact CG2-CB 4.01Å; V449-A605 HydrophobicContact CG1-CB 3.87Å
450	L	98.6	Very high	97.5	Very high	49 Å²	49	53.1 Å²	53.1	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-34	174.4	-71.2	178.8	0	0	0	112.5	L446 L447 V452 A453 L454 V602 A605	L446-L450 HydrophobicContact CD1-CD1 4.15Å; L446-L450 HydrophobicContact CD1-CG 4.09Å; L446-L450 HydrophobicContact CG-CD1 3.95Å; L446-L450 HydrophobicContact CG-CG 4.3Å; L446-L450 WeakPolarHBondContact O-CB 3.34Å; L446-L450 VanDerWaalsContact O-CG 3.28Å; L446-L450 WeakPolarHBondContact O-CG 3.1Å; L446-L450 PolarHBondContact O-N 3.32Å; L447-L450 PolarHBondContact O-N 3.49Å; L450-V452 VanDerWaalsContact C-N 3.33Å; L450-A453 WeakPolarHBondContact O-CB 3.44Å; L450-A453 PolarHBondContact O-N 3Å; L450-L454 WeakPolarHBondContact O-CB 3.48Å; L450-L454 PolarHBondContact O-N 3.22Å; L450-V602 HydrophobicContact CD2-CB 4.47Å; L450-V602 HydrophobicContact CD2-CG1 3.98Å; L450-A605 HydrophobicContact CD2-CB 4.32Å
451	I	98.5	Very high	97.5	Very high	89 Å²	89	52.5 Å²	52.5	46%	0.456	27%	0.27	S	S	.	.	H	α-helix	trans	-62.5	-42.9	170.6	-69.8	162.6	0	0	0	110.3	L447 S448 V449 L454 L455	L447-I451 HydrophobicContact CG-CD1 4.28Å; L447-I451 VanDerWaalsContact O-CG1 3.27Å; L447-I451 WeakPolarHBondContact O-CG1 2.97Å; L447-I451 PolarHBondContact O-N 2.87Å; S448-I451 PolarHBondContact O-N 3.25Å; V449-I451 VanDerWaalsContact C-N 3.3Å; V449-I451 PolarHBondContact O-N 2.94Å; I451-L454 PolarHBondContact O-N 2.97Å; I451-L455 HydrophobicContact CG2-CD1 4.36Å; I451-L455 WeakPolarHBondContact O-CG 3.46Å; I451-L455 PolarHBondContact O-N 3.46Å
452	V	98.3	Very high	97.4	Very high	13 Å²	13	52.8 Å²	52.8	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-43.6	174.7	-179.4	0	0	0	0	110.9	S448 V449 L450 L454 L455 V456 L475 Y476 F640 F644	S448-V452 PolarHBondContact O-N 3.06Å; V449-V452 CarbonylContact O-C 3.43Å; V449-V452 WeakPolarHBondContact O-CA 3.47Å; V449-V452 WeakPolarHBondContact O-CB 3.29Å; V449-V452 PolarHBondContact O-N 3.21Å; L450-V452 VanDerWaalsContact C-N 3.33Å; V452-L454 VanDerWaalsContact C-N 3.33Å; V452-L454 PolarHBondContact O-N 3.03Å; V452-L455 PolarHBondContact O-N 2.92Å; V452-V456 WeakPolarHBondContact O-CG2 3.23Å; V452-V456 PolarHBondContact O-N 2.92Å; V452-L475 HydrophobicContact CG1-CD1 4.18Å; V452-L475 HydrophobicContact CG1-CD2 4.1Å; V452-L475 HydrophobicContact CG1-CG 4.13Å; V452-Y476 HydrophobicContact CB-CE1 4.34Å; V452-Y476 HydrophobicContact CG1-CD1 4.32Å; V452-Y476 HydrophobicContact CG1-CE1 3.93Å; V452-F640 HydrophobicContact CG1-CE2 4.02Å; V452-F640 HydrophobicContact CG1-CZ 4.46Å; V452-F640 HydrophobicContact CG2-CE2 3.85Å; V452-F640 HydrophobicContact CG2-CZ 3.87Å; V452-F644 HydrophobicContact CG1-CD2 4.29Å
453	A	98.2	Very high	97.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-41.2	176.4	0	0	0	0	0	112.6	V449 L450 V456 T457 Y476 E601 A605	V449-A453 PolarHBondContact O-N 2.77Å; L450-A453 WeakPolarHBondContact O-CB 3.44Å; L450-A453 PolarHBondContact O-N 3Å; A453-V456 PolarHBondContact O-N 3.44Å; A453-T457 WeakPolarHBondContact O-CB 3.31Å; A453-T457 PolarHBondContact O-N 2.87Å; A453-T457 PolarHBondContact O-OG1 2.91Å; A453-Y476 HydrophobicContact CB-CE1 4.23Å; A453-E601 HydrophobicContact CB-CB 3.94Å; A453-A605 HydrophobicContact CB-CB 3.8Å
454	L	97.9	Very high	97.4	Very high	98 Å²	98	44.2 Å²	44.2	51%	0.513	24%	0.236	S	C	.	.	H	α-helix	trans	-62.6	-45.9	173.3	178.2	63	0	0	0	111.2	L450 I451 V452 V456 T457 L458	L450-L454 WeakPolarHBondContact O-CB 3.48Å; L450-L454 PolarHBondContact O-N 3.22Å; I451-L454 PolarHBondContact O-N 2.97Å; V452-L454 VanDerWaalsContact C-N 3.33Å; V452-L454 PolarHBondContact O-N 3.03Å; L454-V456 PolarHBondContact O-N 3.25Å; L454-T457 WeakPolarHBondContact O-CB 3.42Å; L454-T457 PolarHBondContact O-N 3.49Å; L454-T457 VanDerWaalsContact O-N 3.15Å; L454-L458 HydrophobicContact CD1-CD1 4.24Å; L454-L458 HydrophobicContact CD1-CG 4.16Å; L454-L458 HydrophobicContact CG-CD1 4Å; L454-L458 HydrophobicContact CG-CG 4.35Å; L454-L458 VanDerWaalsContact O-CG 3.32Å; L454-L458 WeakPolarHBondContact O-CG 3.26Å; L454-L458 PolarHBondContact O-N 3.28Å
455	L	97.9	Very high	97.3	Very high	75 Å²	75	41.9 Å²	41.9	39%	0.393	22%	0.222	S	C	.	.	H	α-helix	trans	-60.1	-44.9	177.3	-69.4	173	0	0	0	111.8	I451 V452 T457 L458 L459 F644	I451-L455 HydrophobicContact CG2-CD1 4.36Å; I451-L455 WeakPolarHBondContact O-CG 3.46Å; I451-L455 PolarHBondContact O-N 3.46Å; V452-L455 PolarHBondContact O-N 2.92Å; L455-T457 VanDerWaalsContact C-N 3.28Å; L455-T457 PolarHBondContact O-N 3.5Å; L455-L458 PolarHBondContact O-N 3.36Å; L455-L459 WeakPolarHBondContact O-CB 3.29Å; L455-L459 VanDerWaalsContact O-CG 3.22Å; L455-L459 WeakPolarHBondContact O-CG 3.42Å; L455-L459 PolarHBondContact O-N 3.19Å; L455-F644 HydrophobicContact CB-CE2 4.42Å
456	V	97.7	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.5	-43	174.6	168.9	0	0	0	0	111.1	V452 A453 L454 L459 G460 R461 F464 L475 E601 V647	V452-V456 WeakPolarHBondContact O-CG2 3.23Å; V452-V456 PolarHBondContact O-N 2.92Å; A453-V456 PolarHBondContact O-N 3.44Å; L454-V456 PolarHBondContact O-N 3.25Å; V456-L459 PolarHBondContact O-N 2.83Å; V456-G460 PolarHBondContact O-N 3.42Å; V456-R461 HydrophobicContact CG1-CB 4.01Å; V456-R461 WeakPolarHBondContact CG1-O 3.06Å; V456-R461 PolarHBondContact O-N 2.86Å; V456-F464 HydrophobicContact CG1-CD1 3.76Å; V456-F464 HydrophobicContact CG1-CE1 3.92Å; V456-F464 HydrophobicContact CG2-CE1 4.5Å; V456-L475 HydrophobicContact CG2-CD2 3.98Å; V456-E601 HydrophobicContact CG1-CG 4.25Å; V456-V647 HydrophobicContact CG1-CG1 4.25Å; V456-V647 HydrophobicContact CG2-CG1 4.16Å
457	T	96.2	Very high	97.1	Very high	36 Å²	36	41 Å²	41	22%	0.221	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-45.9	177.8	-57.6	0	0	0	0	111.8	A453 L454 L455 L459 G460 E601 F697	A453-T457 WeakPolarHBondContact O-CB 3.31Å; A453-T457 PolarHBondContact O-N 2.87Å; A453-T457 PolarHBondContact O-OG1 2.91Å; L454-T457 WeakPolarHBondContact O-CB 3.42Å; L454-T457 PolarHBondContact O-N 3.49Å; L454-T457 VanDerWaalsContact O-N 3.15Å; L455-T457 VanDerWaalsContact C-N 3.28Å; L455-T457 PolarHBondContact O-N 3.5Å; T457-L459 VanDerWaalsContact C-N 3.26Å; T457-L459 PolarHBondContact O-N 3.09Å; T457-G460 PolarHBondContact O-N 3.43Å; T457-E601 WeakPolarHBondContact OG1-CG 3.2Å; T457-F697 HydrophobicContact CG2-CE1 3.95Å; T457-F697 HydrophobicContact CG2-CZ 4.14Å
458	L	96	Very high	97	Very high	130 Å²	130	39.1 Å²	39.1	68%	0.681	21%	0.208	S	C	*	.	H	α-helix	trans	-64.9	-29.6	178.4	-69.3	174.4	0	0	0	112.8	L454 L455 G460	L454-L458 HydrophobicContact CD1-CD1 4.24Å; L454-L458 HydrophobicContact CD1-CG 4.16Å; L454-L458 HydrophobicContact CG-CD1 4Å; L454-L458 HydrophobicContact CG-CG 4.35Å; L454-L458 VanDerWaalsContact O-CG 3.32Å; L454-L458 WeakPolarHBondContact O-CG 3.26Å; L454-L458 PolarHBondContact O-N 3.28Å; L455-L458 PolarHBondContact O-N 3.36Å; L458-G460 PolarHBondContact O-N 3.39Å
459	L	95.9	Very high	96.8	Very high	87 Å²	87	40.5 Å²	40.5	46%	0.455	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.9	173.2	-68.5	169.7	0	0	0	113.2	L455 V456 T457 R461 F644	L455-L459 WeakPolarHBondContact O-CB 3.29Å; L455-L459 VanDerWaalsContact O-CG 3.22Å; L455-L459 WeakPolarHBondContact O-CG 3.42Å; L455-L459 PolarHBondContact O-N 3.19Å; V456-L459 PolarHBondContact O-N 2.83Å; T457-L459 VanDerWaalsContact C-N 3.26Å; T457-L459 PolarHBondContact O-N 3.09Å; L459-R461 VanDerWaalsContact C-N 3.28Å; L459-R461 HydrophobicContact CB-CG 3.94Å; L459-R461 PolarHBondContact O-N 3.02Å; L459-F644 HydrophobicContact CD1-CZ 4.38Å
460	G	94.3	Very high	96.7	Very high	19 Å²	19	46.8 Å²	46.8	20%	0.196	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	28.5	-177	0	0	0	0	0	113.1	V456 T457 L458 Q701	V456-G460 PolarHBondContact O-N 3.42Å; T457-G460 PolarHBondContact O-N 3.43Å; L458-G460 PolarHBondContact O-N 3.39Å; G460-Q701 PolarHBondContact O-NE2 3.48Å
461	R	95.9	Very high	96.6	Very high	94 Å²	94	44.4 Å²	44.4	36%	0.355	22%	0.222	S	C	.	.			trans	-108.8	22.1	-178	-55.7	-57.1	-171.5	-166.4	1.2	113	V456 L459 V647 S648 G650	V456-R461 HydrophobicContact CG1-CB 4.01Å; V456-R461 WeakPolarHBondContact CG1-O 3.06Å; V456-R461 PolarHBondContact O-N 2.86Å; L459-R461 VanDerWaalsContact C-N 3.28Å; L459-R461 HydrophobicContact CB-CG 3.94Å; L459-R461 PolarHBondContact O-N 3.02Å; R461-V647 HydrophobicContact CB-CG1 4.15Å; R461-V647 WeakPolarHBondContact CG-O 3.32Å; R461-S648 PolarHBondContact NE-O 2.9Å; R461-S648 PolarHBondContact NH2-O 3.33Å; R461-G650 VanDerWaalsContact CZ-CA 3.47Å
462	S	95.9	Very high	96.6	Very high	7 Å²	7	40.2 Å²	40.2	5%	0.049	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	152.4	176.3	-59.4	0	0	0	0	111.7	F464 E601	S462-F464 PolarHBondContact O-N 3.07Å; S462-E601 WeakPolarHBondContact CA-OE1 3.4Å
463	M	96.3	Very high	96.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	11.3	-178.7	-61.2	-74.6	-75.6	0	0	115.2	W465 Y466 M591 P600 E601 P654 T698	M463-W465 HydrophobicContact CE-CH2 4.23Å; M463-W465 PolarHBondContact O-N 3.11Å; M463-W465 HydrophobicContact SD-CH2 3.56Å; M463-W465 VanDerWaalsContact SD-CH2 3.56Å; M463-W465 HydrophobicContact SD-CZ2 3.57Å; M463-W465 VanDerWaalsContact SD-CZ2 3.57Å; M463-W465 HydrophobicContact SD-CZ3 4.48Å; M463-Y466 HydrophobicContact CE-CD1 4.47Å; M463-Y466 HydrophobicContact CE-CD2 3.47Å; M463-Y466 VanDerWaalsContact CE-CD2 3.47Å; M463-Y466 HydrophobicContact CE-CE2 3.97Å; M463-Y466 HydrophobicContact CE-CG 3.76Å; M463-Y466 VanDerWaalsContact O-CB 3.23Å; M463-Y466 WeakPolarHBondContact O-CB 3.4Å; M463-Y466 PolarHBondContact O-N 2.86Å; M463-M591 HydrophobicContact CE-CB 4.37Å; M463-M591 HydrophobicContact SD-CB 4.22Å; M463-P600 HydrophobicContact CG-CB 4.48Å; M463-P600 HydrophobicContact CG-CG 3.89Å; M463-P600 HydrophobicContact SD-CB 3.53Å; M463-P600 VanDerWaalsContact SD-CB 3.53Å; M463-P600 HydrophobicContact SD-CG 3.6Å; M463-P600 VanDerWaalsContact SD-CG 3.6Å; M463-E601 PolarHBondContact N-OE1 2.66Å; M463-P654 HydrophobicContact CB-CB 3.89Å; M463-P654 VanDerWaalsContact O-CB 3.31Å; M463-P654 WeakPolarHBondContact O-CB 3.37Å; M463-T698 HydrophobicContact CB-CG2 4.36Å; M463-T698 HydrophobicContact CG-CG2 4.11Å
464	F	97.1	Very high	96.5	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.018	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-26.4	-178	75.1	-90.1	0	0	0	114.3	V456 S462 A471 L475 Y476 E601 V647 F652	V456-F464 HydrophobicContact CG1-CD1 3.76Å; V456-F464 HydrophobicContact CG1-CE1 3.92Å; V456-F464 HydrophobicContact CG2-CE1 4.5Å; S462-F464 PolarHBondContact O-N 3.07Å; F464-A471 HydrophobicContact CD2-CB 3.85Å; F464-A471 HydrophobicContact CE2-CB 3.67Å; F464-L475 HydrophobicContact CE1-CD2 4.1Å; F464-L475 HydrophobicContact CE2-CD2 4.4Å; F464-L475 HydrophobicContact CZ-CB 4.38Å; F464-L475 HydrophobicContact CZ-CD2 3.64Å; F464-Y476 HydrophobicContact CE1-CE2 4.08Å; F464-Y476 AromaticContact CZ-CE2 4Å; F464-Y476 HydrophobicContact CZ-CE2 4Å; F464-E601 VanDerWaalsContact CE1-OE2 3.3Å; F464-E601 WeakPolarHBondContact CE1-OE2 3.28Å; F464-V647 HydrophobicContact CB-CG1 4.29Å; F464-V647 HydrophobicContact CD1-CG1 3.88Å; F464-V647 HydrophobicContact CD2-CG1 4.21Å; F464-V647 HydrophobicContact CD2-CG2 3.57Å; F464-V647 HydrophobicContact CE1-CG1 4.25Å; F464-V647 HydrophobicContact CE2-CG2 3.66Å; F464-V647 HydrophobicContact CG-CG1 3.86Å; F464-V647 HydrophobicContact CG-CG2 4.09Å; F464-V647 HydrophobicContact CZ-CG2 4.24Å; F464-F652 HydrophobicContact CB-CB 4.04Å; F464-F652 HydrophobicContact CD2-CB 4.43Å
465	W	97	Very high	96.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.2	179.8	49.2	-98.6	0	0	0	114.4	M463 T467 H468 F469 A472 T588 M591 P600 E601 M604	M463-W465 HydrophobicContact CE-CH2 4.23Å; M463-W465 PolarHBondContact O-N 3.11Å; M463-W465 HydrophobicContact SD-CH2 3.56Å; M463-W465 VanDerWaalsContact SD-CH2 3.56Å; M463-W465 HydrophobicContact SD-CZ2 3.57Å; M463-W465 VanDerWaalsContact SD-CZ2 3.57Å; M463-W465 HydrophobicContact SD-CZ3 4.48Å; W465-T467 PolarHBondContact O-N 2.99Å; W465-H468 CarbonylContact O-C 3.57Å; W465-H468 VanDerWaalsContact O-C 3.25Å; W465-H468 PolarHBondContact O-N 3.08Å; W465-F469 VanDerWaalsContact O-CA 3.27Å; W465-F469 WeakPolarHBondContact O-CA 3.48Å; W465-F469 PolarHBondContact O-N 3.42Å; W465-A472 HydrophobicContact CB-CB 3.53Å; W465-A472 HydrophobicContact CG-CB 3.99Å; W465-T588 HydrophobicContact CE3-CG2 3.75Å; W465-T588 HydrophobicContact CZ3-CG2 3.6Å; W465-M591 HydrophobicContact CH2-CB 3.56Å; W465-M591 HydrophobicContact CH2-CG 3.87Å; W465-M591 HydrophobicContact CZ2-CB 4.46Å; W465-M591 HydrophobicContact CZ3-CB 4.38Å; W465-P600 HydrophobicContact CH2-CB 4.42Å; W465-P600 HydrophobicContact CZ2-CB 3.96Å; W465-E601 PolarHBondContact NE1-OE1 3.34Å; W465-E601 PolarHBondContact NE1-OE2 3.31Å; W465-M604 HydrophobicContact CD2-CB 4.41Å; W465-M604 HydrophobicContact CD2-CE 4.49Å; W465-M604 HydrophobicContact CD2-CG 3.92Å; W465-M604 VanDerWaalsContact CE2-CG 3.46Å; W465-M604 HydrophobicContact CE3-CE 4.02Å; W465-M604 HydrophobicContact CE3-CG 4.04Å; W465-M604 HydrophobicContact CH2-CG 3.33Å; W465-M604 HydrophobicContact CH2-SD 4.06Å; W465-M604 HydrophobicContact CZ2-CB 4.05Å; W465-M604 HydrophobicContact CZ2-CG 3.17Å; W465-M604 HydrophobicContact CZ2-SD 4.45Å; W465-M604 HydrophobicContact CZ3-CE 4.04Å; W465-M604 HydrophobicContact CZ3-CG 3.78Å; W465-M604 HydrophobicContact CZ3-SD 4.13Å
466	Y	96.8	Very high	96.5	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.008	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-44.9	-174	-173.3	-115.7	0	0	0	112.5	F332 M463 T588 P654 Y655 R663 R666	F332-Y466 HydrophobicContact CD1-CD2 4.19Å; F332-Y466 HydrophobicContact CD1-CE1 4.02Å; F332-Y466 AromaticContact CD1-CE2 3.59Å; F332-Y466 HydrophobicContact CD1-CE2 3.59Å; F332-Y466 AromaticContact CD1-CZ 3.5Å; F332-Y466 VanDerWaalsContact CD1-CZ 3.5Å; F332-Y466 AromaticContact CE1-CD2 3.73Å; F332-Y466 HydrophobicContact CE1-CD2 3.73Å; F332-Y466 HydrophobicContact CE1-CE1 4.42Å; F332-Y466 AromaticContact CE1-CE2 3.56Å; F332-Y466 HydrophobicContact CE1-CE2 3.56Å; F332-Y466 HydrophobicContact CE1-CG 4.25Å; F332-Y466 AromaticContact CE1-CZ 3.93Å; F332-Y466 WeakPolarHBondContact CE1-O 3.28Å; M463-Y466 HydrophobicContact CE-CD1 4.47Å; M463-Y466 HydrophobicContact CE-CD2 3.47Å; M463-Y466 VanDerWaalsContact CE-CD2 3.47Å; M463-Y466 HydrophobicContact CE-CE2 3.97Å; M463-Y466 HydrophobicContact CE-CG 3.76Å; M463-Y466 VanDerWaalsContact O-CB 3.23Å; M463-Y466 WeakPolarHBondContact O-CB 3.4Å; M463-Y466 PolarHBondContact O-N 2.86Å; Y466-T588 WeakPolarHBondContact CD2-O 3.13Å; Y466-T588 WeakPolarHBondContact CE2-O 3.49Å; Y466-P654 WeakPolarHBondContact CD1-O 3.3Å; Y466-Y655 HydrophobicContact CD1-CD1 4.02Å; Y466-Y655 HydrophobicContact CD1-CE1 4.23Å; Y466-Y655 HydrophobicContact CE1-CD1 4.05Å; Y466-Y655 HydrophobicContact CE1-CE1 4.25Å; Y466-R663 HydrophobicContact CD1-CB 4.26Å; Y466-R663 HydrophobicContact CE1-CB 4.15Å; Y466-R666 PolarHBondContact OH-NH1 3.41Å
467	T	95.5	Very high	96.5	Very high	39 Å²	39	37 Å²	37	24%	0.239	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-31.1	168	-65.6	0	0	0	0	112.1	W465 P654 R663	W465-T467 PolarHBondContact O-N 2.99Å; T467-P654 WeakPolarHBondContact CB-O 3.1Å; T467-P654 PolarHBondContact N-O 3.49Å; T467-P654 PolarHBondContact OG1-O 2.82Å; T467-R663 HydrophobicContact CG2-CG 4.22Å; T467-R663 VanDerWaalsContact OG1-CB 3.24Å; T467-R663 WeakPolarHBondContact OG1-CB 3.35Å; T467-R663 VanDerWaalsContact OG1-CG 3.31Å; T467-R663 WeakPolarHBondContact OG1-CG 3.3Å
468	H	95.4	Very high	96.6	Very high	48 Å²	48	35.7 Å²	35.7	22%	0.222	18%	0.179	C	C	.	.			trans	-114.6	62.1	-169.5	-57.2	-60.8	0	0	0	112.1	W465 Y470 A471 F652	W465-H468 CarbonylContact O-C 3.57Å; W465-H468 VanDerWaalsContact O-C 3.25Å; W465-H468 PolarHBondContact O-N 3.08Å; H468-Y470 HydrophobicContact CB-CD1 4.39Å; H468-Y470 HydrophobicContact CB-CE1 3.8Å; H468-Y470 AromaticContact ND1-CE1 3.86Å; H468-Y470 PolarHBondContact O-N 3.26Å; H468-Y470 VanDerWaalsContact O-N 3.08Å; H468-A471 HydrophobicContact CB-CB 4.26Å; H468-A471 WeakPolarHBondContact O-CB 3.41Å; H468-A471 PolarHBondContact O-N 3.36Å; H468-F652 HydrophobicContact CB-CD1 3.92Å; H468-F652 AromaticContact CD2-CD1 3.78Å; H468-F652 AromaticContact CG-CD1 3.85Å
469	F	95.3	Very high	96.7	Very high	61 Å²	61	30.4 Å²	30.4	27%	0.268	15%	0.154	S	C	.	.	H	α-helix	trans	-56.4	-32.8	-172.8	-175.6	-107.1	0	0	0	113.7	W465 A471 A472 I473 F584 T588 M604	W465-F469 VanDerWaalsContact O-CA 3.27Å; W465-F469 WeakPolarHBondContact O-CA 3.48Å; W465-F469 PolarHBondContact O-N 3.42Å; F469-A471 PolarHBondContact O-N 3.5Å; F469-A471 VanDerWaalsContact O-N 3.15Å; F469-A472 WeakPolarHBondContact O-CB 3.47Å; F469-A472 PolarHBondContact O-N 2.93Å; F469-I473 HydrophobicContact CD1-CG1 4.31Å; F469-I473 HydrophobicContact CE1-CD1 3.84Å; F469-I473 HydrophobicContact CE1-CG1 3.9Å; F469-I473 HydrophobicContact CZ-CD1 3.93Å; F469-I473 HydrophobicContact CZ-CG1 4.37Å; F469-I473 PolarHBondContact O-N 2.96Å; F469-F584 HydrophobicContact CE1-CB 4.41Å; F469-F584 HydrophobicContact CE1-CD1 4.47Å; F469-F584 HydrophobicContact CE1-CG 4.23Å; F469-F584 HydrophobicContact CE2-CB 4.36Å; F469-F584 AromaticContact CE2-CD1 3.55Å; F469-F584 HydrophobicContact CE2-CD1 3.55Å; F469-F584 HydrophobicContact CE2-CE1 4.02Å; F469-F584 HydrophobicContact CE2-CG 4.05Å; F469-F584 HydrophobicContact CZ-CB 3.89Å; F469-F584 AromaticContact CZ-CD1 3.31Å; F469-F584 HydrophobicContact CZ-CD1 3.31Å; F469-F584 AromaticContact CZ-CD2 3.95Å; F469-F584 HydrophobicContact CZ-CD2 3.95Å; F469-F584 AromaticContact CZ-CE1 3.73Å; F469-F584 HydrophobicContact CZ-CE1 3.73Å; F469-F584 HydrophobicContact CZ-CE2 4.32Å; F469-F584 AromaticContact CZ-CG 3.43Å; F469-F584 HydrophobicContact CZ-CG 3.43Å; F469-F584 VanDerWaalsContact CZ-CG 3.43Å; F469-F584 HydrophobicContact CZ-CZ 4.22Å; F469-T588 HydrophobicContact CD2-CG2 4.26Å; F469-M604 HydrophobicContact CD2-CE 4.26Å; F469-M604 HydrophobicContact CE2-CE 3.62Å
470	Y	95.7	Very high	96.9	Very high	131 Å²	131	26.2 Å²	26.2	51%	0.514	13%	0.133	S	C	.	.	H	α-helix	trans	-56	-31.2	173.9	66.7	-94.1	0	0	0	112.9	H468 A472 I473 C474 F652	H468-Y470 HydrophobicContact CB-CD1 4.39Å; H468-Y470 HydrophobicContact CB-CE1 3.8Å; H468-Y470 AromaticContact ND1-CE1 3.86Å; H468-Y470 PolarHBondContact O-N 3.26Å; H468-Y470 VanDerWaalsContact O-N 3.08Å; Y470-A472 VanDerWaalsContact C-N 3.33Å; Y470-A472 PolarHBondContact O-N 3.02Å; Y470-I473 PolarHBondContact O-N 2.71Å; Y470-C474 PolarHBondContact O-N 3.08Å; Y470-C474 PolarHBondContact O-SG 2.83Å; Y470-F652 AromaticContact CE2-CE1 3.99Å; Y470-F652 HydrophobicContact CE2-CE1 3.99Å; Y470-F652 WeakPolarHBondContact OH-CE1 3.46Å
471	A	97.6	Very high	97	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.9	-35.7	178.1	0	0	0	0	0	111.6	F464 H468 F469 C474 L475 M643 F652	F464-A471 HydrophobicContact CD2-CB 3.85Å; F464-A471 HydrophobicContact CE2-CB 3.67Å; H468-A471 HydrophobicContact CB-CB 4.26Å; H468-A471 WeakPolarHBondContact O-CB 3.41Å; H468-A471 PolarHBondContact O-N 3.36Å; F469-A471 PolarHBondContact O-N 3.5Å; F469-A471 VanDerWaalsContact O-N 3.15Å; A471-C474 PolarHBondContact O-N 3.2Å; A471-L475 VanDerWaalsContact O-CB 3.27Å; A471-L475 WeakPolarHBondContact O-CB 3.45Å; A471-L475 PolarHBondContact O-N 3.26Å; A471-M643 HydrophobicContact CB-CE 3.61Å; A471-F652 HydrophobicContact CB-CD1 4.22Å; A471-F652 HydrophobicContact CB-CD2 4.4Å; A471-F652 HydrophobicContact CB-CE1 4.2Å; A471-F652 HydrophobicContact CB-CE2 4.36Å; A471-F652 HydrophobicContact CB-CG 4.32Å; A471-F652 HydrophobicContact CB-CZ 4.28Å
472	A	97.4	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.3	-41.8	172.6	0	0	0	0	0	111.5	W465 F469 Y470 L475 Y476 G477	W465-A472 HydrophobicContact CB-CB 3.53Å; W465-A472 HydrophobicContact CG-CB 3.99Å; F469-A472 WeakPolarHBondContact O-CB 3.47Å; F469-A472 PolarHBondContact O-N 2.93Å; Y470-A472 VanDerWaalsContact C-N 3.33Å; Y470-A472 PolarHBondContact O-N 3.02Å; A472-L475 PolarHBondContact O-N 3.33Å; A472-Y476 HydrophobicContact CB-CD2 4.11Å; A472-Y476 WeakPolarHBondContact O-CA 3.22Å; A472-Y476 WeakPolarHBondContact O-CB 3.32Å; A472-Y476 PolarHBondContact O-N 2.83Å; A472-G477 PolarHBondContact O-N 3.02Å
473	I	96.6	Very high	97.2	Very high	73 Å²	73	26.2 Å²	26.2	37%	0.374	14%	0.136	S	C	.	.	I	π-helix	trans	-63.6	-44.5	176.5	-57.6	-57.1	0	0	0	110.8	F469 Y470 G477 A478 V608	F469-I473 HydrophobicContact CD1-CG1 4.31Å; F469-I473 HydrophobicContact CE1-CD1 3.84Å; F469-I473 HydrophobicContact CE1-CG1 3.9Å; F469-I473 HydrophobicContact CZ-CD1 3.93Å; F469-I473 HydrophobicContact CZ-CG1 4.37Å; F469-I473 PolarHBondContact O-N 2.96Å; Y470-I473 PolarHBondContact O-N 2.71Å; I473-G477 CarbonylContact O-C 3.4Å; I473-G477 WeakPolarHBondContact O-CA 3.47Å; I473-G477 PolarHBondContact O-N 3.15Å; I473-A478 PolarHBondContact O-N 2.83Å; I473-V608 HydrophobicContact CD1-CG1 4.32Å; I473-V608 HydrophobicContact CD1-CG2 4.15Å
474	C	97.9	Very high	97.2	Very high	43 Å²	43	26.4 Å²	26.4	29%	0.291	14%	0.137	S	C	.	.	I	π-helix	trans	-71.3	-32	179.2	-60.8	0	0	0	0	112.9	Y470 A471 A478 V639 M643	Y470-C474 PolarHBondContact O-N 3.08Å; Y470-C474 PolarHBondContact O-SG 2.83Å; A471-C474 PolarHBondContact O-N 3.2Å; C474-A478 WeakPolarHBondContact O-CB 3.09Å; C474-V639 HydrophobicContact CB-CG1 4Å; C474-M643 HydrophobicContact CB-CE 4.38Å; C474-M643 HydrophobicContact CB-CG 3.49Å; C474-M643 VanDerWaalsContact CB-CG 3.49Å; C474-M643 HydrophobicContact CB-SD 4.02Å
475	L	98.4	Very high	97.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	I	π-helix	trans	-81	-66.6	176.5	-176.7	65	0	0	0	111.6	V452 V456 F464 A471 A472 A479 F640 M643 F644 V647	V452-L475 HydrophobicContact CG1-CD1 4.18Å; V452-L475 HydrophobicContact CG1-CD2 4.1Å; V452-L475 HydrophobicContact CG1-CG 4.13Å; V456-L475 HydrophobicContact CG2-CD2 3.98Å; F464-L475 HydrophobicContact CE1-CD2 4.1Å; F464-L475 HydrophobicContact CE2-CD2 4.4Å; F464-L475 HydrophobicContact CZ-CB 4.38Å; F464-L475 HydrophobicContact CZ-CD2 3.64Å; A471-L475 VanDerWaalsContact O-CB 3.27Å; A471-L475 WeakPolarHBondContact O-CB 3.45Å; A471-L475 PolarHBondContact O-N 3.26Å; A472-L475 PolarHBondContact O-N 3.33Å; L475-A479 VanDerWaalsContact O-CB 3.3Å; L475-A479 WeakPolarHBondContact O-CB 3.46Å; L475-A479 PolarHBondContact O-N 3.22Å; L475-A479 VanDerWaalsContact O-N 3.12Å; L475-F640 HydrophobicContact CD1-CD2 3.79Å; L475-F640 HydrophobicContact CD1-CE2 3.7Å; L475-M643 HydrophobicContact CB-CB 4.38Å; L475-M643 HydrophobicContact CD1-CB 4.38Å; L475-F644 HydrophobicContact CD1-CB 3.77Å; L475-F644 HydrophobicContact CD1-CD2 4.2Å; L475-V647 HydrophobicContact CD2-CG2 4.4Å
476	Y	98.6	Very high	97.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	I	π-helix	trans	-74.6	-40.7	-175.1	-58.2	-42.9	0	0	0	112.2	V449 V452 A453 F464 A472 A479 A480 E601 A605	V449-Y476 HydrophobicContact CG1-CD1 3.55Å; V449-Y476 HydrophobicContact CG1-CE1 4.42Å; V449-Y476 HydrophobicContact CG1-CG 3.9Å; V452-Y476 HydrophobicContact CB-CE1 4.34Å; V452-Y476 HydrophobicContact CG1-CD1 4.32Å; V452-Y476 HydrophobicContact CG1-CE1 3.93Å; A453-Y476 HydrophobicContact CB-CE1 4.23Å; F464-Y476 HydrophobicContact CE1-CE2 4.08Å; F464-Y476 AromaticContact CZ-CE2 4Å; F464-Y476 HydrophobicContact CZ-CE2 4Å; A472-Y476 HydrophobicContact CB-CD2 4.11Å; A472-Y476 WeakPolarHBondContact O-CA 3.22Å; A472-Y476 WeakPolarHBondContact O-CB 3.32Å; A472-Y476 PolarHBondContact O-N 2.83Å; Y476-A479 PolarHBondContact O-N 2.03Å; Y476-A480 VanDerWaalsContact O-CB 3.25Å; Y476-A480 WeakPolarHBondContact O-CB 3.35Å; Y476-A480 PolarHBondContact O-N 3.2Å; Y476-E601 PolarHBondContact OH-OE2 2.71Å; Y476-A605 HydrophobicContact CD1-CB 4.35Å; Y476-A605 HydrophobicContact CD2-CB 4.26Å; Y476-A605 HydrophobicContact CE1-CB 4.35Å; Y476-A605 HydrophobicContact CE2-CB 4.26Å; Y476-A605 HydrophobicContact CG-CB 4.31Å
477	G	97.8	Very high	97.2	Very high	4 Å²	4	32 Å²	32	4%	0.041	17%	0.166	C	C	.	.	I	π-helix	trans	-66.8	-40.6	178.9	0	0	0	0	0	112.7	A472 I473 T481	A472-G477 PolarHBondContact O-N 3.02Å; I473-G477 CarbonylContact O-C 3.4Å; I473-G477 WeakPolarHBondContact O-CA 3.47Å; I473-G477 PolarHBondContact O-N 3.15Å; G477-T481 VanDerWaalsContact O-CB 3.27Å; G477-T481 WeakPolarHBondContact O-CB 3.38Å; G477-T481 PolarHBondContact O-N 2.91Å; G477-T481 PolarHBondContact O-OG1 3.28Å
478	A	98.1	Very high	97.2	Very high	7 Å²	7	30.1 Å²	30.1	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-68	-41.2	174.4	0	0	0	0	0	112	I473 C474 G482 L636 V639 F640	I473-A478 PolarHBondContact O-N 2.83Å; C474-A478 WeakPolarHBondContact O-CB 3.09Å; A478-G482 WeakPolarHBondContact O-CA 3.37Å; A478-G482 PolarHBondContact O-N 3.07Å; A478-L636 HydrophobicContact CB-CD2 4.29Å; A478-V639 HydrophobicContact CB-CB 4.39Å; A478-V639 HydrophobicContact CB-CG1 4.04Å; A478-F640 HydrophobicContact CB-CB 4.36Å
479	A	98.3	Very high	97.2	Very high	19 Å²	19	28.4 Å²	28.4	16%	0.157	15%	0.148	C	C	.	.	H	α-helix	trans	-59.7	-48.5	173.8	0	0	0	0	0	111.5	V449 L475 Y476 K483 F640	V449-A479 HydrophobicContact CG2-CB 4.2Å; L475-A479 VanDerWaalsContact O-CB 3.3Å; L475-A479 WeakPolarHBondContact O-CB 3.46Å; L475-A479 PolarHBondContact O-N 3.22Å; L475-A479 VanDerWaalsContact O-N 3.12Å; Y476-A479 PolarHBondContact O-N 2.03Å; A479-K483 WeakPolarHBondContact O-CB 3.17Å; A479-K483 PolarHBondContact O-N 3.21Å; A479-F640 HydrophobicContact CB-CD2 3.74Å; A479-F640 HydrophobicContact CB-CE2 3.92Å
480	A	98.4	Very high	97.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-51.4	179.7	0	0	0	0	0	111.6	T445 V449 Y476 K483 M484 T609 I612	T445-A480 HydrophobicContact CG2-CB 3.93Å; V449-A480 HydrophobicContact CG2-CB 4.01Å; Y476-A480 VanDerWaalsContact O-CB 3.25Å; Y476-A480 WeakPolarHBondContact O-CB 3.35Å; Y476-A480 PolarHBondContact O-N 3.2Å; A480-K483 PolarHBondContact O-N 2.75Å; A480-M484 WeakPolarHBondContact O-CB 3.42Å; A480-M484 WeakPolarHBondContact O-CG 3.3Å; A480-M484 PolarHBondContact O-N 3.12Å; A480-T609 HydrophobicContact CB-CG2 4.37Å; A480-I612 HydrophobicContact CB-CB 4.11Å; A480-I612 HydrophobicContact CB-CG1 4.24Å; A480-I612 HydrophobicContact CB-CG2 3.93Å
481	T	97.8	Very high	97	Very high	39 Å²	39	23.8 Å²	23.8	24%	0.239	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-45.9	-179.1	-53.8	0	0	0	0	111.1	G477 M484 I485 I612 L636	G477-T481 VanDerWaalsContact O-CB 3.27Å; G477-T481 WeakPolarHBondContact O-CB 3.38Å; G477-T481 PolarHBondContact O-N 2.91Å; G477-T481 PolarHBondContact O-OG1 3.28Å; T481-M484 PolarHBondContact O-N 3.17Å; T481-I485 HydrophobicContact CG2-CD1 3.89Å; T481-I485 VanDerWaalsContact O-CG1 3.3Å; T481-I485 WeakPolarHBondContact O-CG1 3.21Å; T481-I485 PolarHBondContact O-N 3.14Å; T481-I612 WeakPolarHBondContact OG1-CG2 3.23Å; T481-L636 HydrophobicContact CG2-CD1 3.83Å
482	G	97.6	Very high	96.7	Very high	12 Å²	12	24.4 Å²	24.4	12%	0.124	14%	0.139	C	C	.	.	H	α-helix	trans	-62.7	-44.3	178.7	0	0	0	0	0	112	A478 I485 L486 L633	A478-G482 WeakPolarHBondContact O-CA 3.37Å; A478-G482 PolarHBondContact O-N 3.07Å; G482-I485 PolarHBondContact O-N 2.94Å; G482-L486 VanDerWaalsContact O-CB 3.24Å; G482-L486 WeakPolarHBondContact O-CB 3.32Å; G482-L486 PolarHBondContact O-N 3.37Å; G482-L633 WeakPolarHBondContact O-CD2 3.24Å
483	K	97.6	Very high	96.3	Very high	69 Å²	69	29.2 Å²	29.2	30%	0.3	16%	0.164	S	C	.	.	H	α-helix	trans	-64.6	-43.4	178.3	-168.4	69	176.2	-162.6	0	111.8	T445 S448 A479 A480 L486 I487	T445-K483 HydrophobicContact CG2-CB 4.25Å; S448-K483 VanDerWaalsContact OG-CE 3.28Å; S448-K483 WeakPolarHBondContact OG-CE 3.28Å; A479-K483 WeakPolarHBondContact O-CB 3.17Å; A479-K483 PolarHBondContact O-N 3.21Å; A480-K483 PolarHBondContact O-N 2.75Å; K483-L486 WeakPolarHBondContact O-CB 3.39Å; K483-L486 PolarHBondContact O-N 3.22Å; K483-I487 HydrophobicContact CG-CD1 4Å; K483-I487 WeakPolarHBondContact O-CD1 3.34Å; K483-I487 WeakPolarHBondContact O-CG1 3.49Å; K483-I487 PolarHBondContact O-N 2.84Å
484	M	96.8	Very high	96	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-51.7	174.5	-79.4	-62.2	-63.2	0	0	112	W442 T445 A480 T481 L486 I487 H488 L620	W442-M484 VanDerWaalsContact CD1-CE 3.41Å; T445-M484 HydrophobicContact CG2-CG 4.01Å; T445-M484 PolarHBondContact OG1-SD 3.27Å; T445-M484 VanDerWaalsContact OG1-SD 3.36Å; A480-M484 WeakPolarHBondContact O-CB 3.42Å; A480-M484 WeakPolarHBondContact O-CG 3.3Å; A480-M484 PolarHBondContact O-N 3.12Å; T481-M484 PolarHBondContact O-N 3.17Å; M484-L486 VanDerWaalsContact C-N 3.26Å; M484-L486 PolarHBondContact O-N 3.46Å; M484-I487 PolarHBondContact O-N 3.22Å; M484-H488 PolarHBondContact O-CD2 3.2Å; M484-H488 VanDerWaalsContact O-CD2 3.25Å; M484-H488 PolarHBondContact O-N 3.49Å; M484-H488 VanDerWaalsContact O-N 3.11Å; M484-L620 HydrophobicContact CE-CD1 4.26Å; M484-L620 HydrophobicContact CE-CD2 4.01Å
485	I	96.9	Very high	95.4	Very high	25 Å²	25	37.7 Å²	37.7	13%	0.128	20%	0.197	C	C	.	.	H	α-helix	trans	-60.6	-39.7	178.1	-66.9	172	0	0	0	110.5	T481 G482 T489 V623 T629 I632 L633 L636	T481-I485 HydrophobicContact CG2-CD1 3.89Å; T481-I485 VanDerWaalsContact O-CG1 3.3Å; T481-I485 WeakPolarHBondContact O-CG1 3.21Å; T481-I485 PolarHBondContact O-N 3.14Å; G482-I485 PolarHBondContact O-N 2.94Å; I485-T489 WeakPolarHBondContact O-CB 3.47Å; I485-T489 PolarHBondContact O-N 2.89Å; I485-T489 PolarHBondContact O-OG1 3.11Å; I485-V623 HydrophobicContact CG1-CG2 4.46Å; I485-T629 HydrophobicContact CG2-CG2 4Å; I485-I632 HydrophobicContact CD1-CG2 3.76Å; I485-L633 HydrophobicContact CB-CD2 3.93Å; I485-L633 HydrophobicContact CG2-CD1 4.36Å; I485-L633 HydrophobicContact CG2-CD2 3.77Å; I485-L633 HydrophobicContact CG2-CG 3.92Å; I485-L636 HydrophobicContact CD1-CD1 3.92Å
486	L	97.1	Very high	94.9	Very high	66 Å²	66	38.4 Å²	38.4	35%	0.346	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-50.4	178.5	177.4	62.9	0	0	0	111.3	G482 K483 M484 H488 T489 L490 L633	G482-L486 VanDerWaalsContact O-CB 3.24Å; G482-L486 WeakPolarHBondContact O-CB 3.32Å; G482-L486 PolarHBondContact O-N 3.37Å; K483-L486 WeakPolarHBondContact O-CB 3.39Å; K483-L486 PolarHBondContact O-N 3.22Å; M484-L486 VanDerWaalsContact C-N 3.26Å; M484-L486 PolarHBondContact O-N 3.46Å; L486-H488 VanDerWaalsContact C-N 3.35Å; L486-H488 PolarHBondContact O-N 2.91Å; L486-T489 PolarHBondContact O-N 3.12Å; L486-L490 HydrophobicContact CD1-CD1 4Å; L486-L490 HydrophobicContact CD1-CG 4.05Å; L486-L490 HydrophobicContact CG-CD1 3.99Å; L486-L490 HydrophobicContact CG-CG 4.42Å; L486-L490 WeakPolarHBondContact O-CB 3.24Å; L486-L490 VanDerWaalsContact O-CG 3.29Å; L486-L490 WeakPolarHBondContact O-CG 3.48Å; L486-L490 PolarHBondContact O-N 3.24Å; L486-L633 HydrophobicContact CB-CD2 4Å; L486-L633 HydrophobicContact CD1-CD1 4.22Å
487	I	96.4	Very high	93.8	Very high	32 Å²	32	41.6 Å²	41.6	16%	0.164	23%	0.232	C	C	.	.	H	α-helix	trans	-56.9	-49.5	179.4	-71	156.1	0	0	0	110.5	V444 K483 M484 T489 L490 A491	V444-I487 HydrophobicContact CB-CD1 4.28Å; V444-I487 HydrophobicContact CG1-CD1 4.11Å; K483-I487 HydrophobicContact CG-CD1 4Å; K483-I487 WeakPolarHBondContact O-CD1 3.34Å; K483-I487 WeakPolarHBondContact O-CG1 3.49Å; K483-I487 PolarHBondContact O-N 2.84Å; M484-I487 PolarHBondContact O-N 3.22Å; I487-T489 VanDerWaalsContact C-N 3.35Å; I487-T489 PolarHBondContact O-N 3.21Å; I487-L490 PolarHBondContact O-N 2.87Å; I487-A491 WeakPolarHBondContact O-CB 3.33Å; I487-A491 PolarHBondContact O-N 3.3Å
488	H	95.6	Very high	92.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-70.2	-31.2	-179.2	-74.1	-74.5	0	0	0	112.9	M484 L486 K492 Y508 L620 V623 Y624	M484-H488 PolarHBondContact O-CD2 3.2Å; M484-H488 VanDerWaalsContact O-CD2 3.25Å; M484-H488 PolarHBondContact O-N 3.49Å; M484-H488 VanDerWaalsContact O-N 3.11Å; L486-H488 VanDerWaalsContact C-N 3.35Å; L486-H488 PolarHBondContact O-N 2.91Å; H488-K492 WeakPolarHBondContact O-CB 3.24Å; H488-K492 PolarHBondContact O-N 2.71Å; H488-Y508 AromaticContact CE1-CE1 3.45Å; H488-Y508 VanDerWaalsContact CE1-CE1 3.45Å; H488-Y508 WeakPolarHBondContact CE1-CE1 3.38Å; H488-Y508 AromaticContact ND1-CE1 3.49Å; H488-Y508 WeakPolarHBondContact ND1-CE1 3.38Å; H488-Y508 AromaticContact ND1-CZ 3.91Å; H488-L620 WeakPolarHBondContact CD2-CD2 3.5Å; H488-V623 HydrophobicContact CB-CG1 3.93Å; H488-Y624 HydrophobicContact CB-CE2 4.07Å; H488-Y624 AromaticContact ND1-CE2 3.7Å; H488-Y624 AromaticContact ND1-CZ 3.75Å; H488-Y624 PolarHBondContact ND1-OH 3.29Å; H488-Y624 PolarHBondContact O-OH 3.32Å
489	T	94.6	Very high	92.3	Very high	13 Å²	13	48 Å²	48	8%	0.08	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-43	171.6	-61.3	0	0	0	0	111.5	I485 L486 I487 K492 N493 T629	I485-T489 WeakPolarHBondContact O-CB 3.47Å; I485-T489 PolarHBondContact O-N 2.89Å; I485-T489 PolarHBondContact O-OG1 3.11Å; L486-T489 PolarHBondContact O-N 3.12Å; I487-T489 VanDerWaalsContact C-N 3.35Å; I487-T489 PolarHBondContact O-N 3.21Å; T489-K492 WeakPolarHBondContact O-CB 3.26Å; T489-K492 PolarHBondContact O-N 3.23Å; T489-N493 VanDerWaalsContact O-CG 3.28Å; T489-N493 PolarHBondContact O-N 2.87Å; T489-N493 PolarHBondContact O-ND2 3.28Å; T489-T629 WeakPolarHBondContact CG2-OG1 3.5Å; T489-T629 PolarHBondContact OG1-OG1 3.39Å
490	L	94.6	Very high	91.7	Very high	81 Å²	81	53.8 Å²	53.8	42%	0.424	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-45.4	176.4	-69.6	173.4	0	0	0	110.8	L486 I487 K492 N493 L494	L486-L490 HydrophobicContact CD1-CD1 4Å; L486-L490 HydrophobicContact CD1-CG 4.05Å; L486-L490 HydrophobicContact CG-CD1 3.99Å; L486-L490 HydrophobicContact CG-CG 4.42Å; L486-L490 WeakPolarHBondContact O-CB 3.24Å; L486-L490 VanDerWaalsContact O-CG 3.29Å; L486-L490 WeakPolarHBondContact O-CG 3.48Å; L486-L490 PolarHBondContact O-N 3.24Å; I487-L490 PolarHBondContact O-N 2.87Å; L490-K492 VanDerWaalsContact C-N 3.31Å; L490-K492 PolarHBondContact O-N 3.42Å; L490-N493 PolarHBondContact O-N 3.37Å; L490-L494 HydrophobicContact CB-CD1 4.31Å; L490-L494 HydrophobicContact CD2-CD1 4.17Å; L490-L494 VanDerWaalsContact O-CB 3.27Å; L490-L494 WeakPolarHBondContact O-CB 3.11Å; L490-L494 WeakPolarHBondContact O-CG 2.85Å; L490-L494 PolarHBondContact O-N 3.26Å
491	A	93.6	Very high	91.2	Very high	14 Å²	14	56 Å²	56	12%	0.116	32%	0.316	C	S	.	.	I	π-helix	trans	-58.1	-44.9	175	0	0	0	0	0	111.4	V437 I487 N493 Y495 Y496	V437-A491 HydrophobicContact CG1-CB 4.02Å; I487-A491 WeakPolarHBondContact O-CB 3.33Å; I487-A491 PolarHBondContact O-N 3.3Å; A491-N493 PolarHBondContact O-N 2.87Å; A491-Y495 WeakPolarHBondContact O-CA 3.48Å; A491-Y495 WeakPolarHBondContact O-CB 3.39Å; A491-Y495 PolarHBondContact O-N 3.43Å; A491-Y496 HydrophobicContact CB-CD2 4.41Å; A491-Y496 HydrophobicContact CB-CE2 4.3Å; A491-Y496 VanDerWaalsContact O-CD2 3.3Å; A491-Y496 WeakPolarHBondContact O-CD2 3.36Å; A491-Y496 PolarHBondContact O-N 3.46Å
492	K	91.6	Very high	90.7	Very high	13 Å²	13	55 Å²	55	6%	0.057	31%	0.31	C	S	.	.	I	π-helix	trans	-57.1	-46.2	175.9	177.6	-174.1	178.4	-179.7	0	112.6	H488 T489 L490 Y496 G497 L501 V623 Y624 V626	H488-K492 WeakPolarHBondContact O-CB 3.24Å; H488-K492 PolarHBondContact O-N 2.71Å; T489-K492 WeakPolarHBondContact O-CB 3.26Å; T489-K492 PolarHBondContact O-N 3.23Å; L490-K492 VanDerWaalsContact C-N 3.31Å; L490-K492 PolarHBondContact O-N 3.42Å; K492-Y496 CarbonylContact O-C 3.57Å; K492-G497 PolarHBondContact O-N 2.98Å; K492-L501 HydrophobicContact CD-CD2 4.29Å; K492-L501 VanDerWaalsContact CE-CD2 3.42Å; K492-L501 HydrophobicContact CG-CD2 4.08Å; K492-V623 PolarHBondContact NZ-O 2.65Å; K492-Y624 HydrophobicContact CB-CD1 4Å; K492-Y624 HydrophobicContact CB-CE1 3.71Å; K492-Y624 HydrophobicContact CD-CD1 4.38Å; K492-Y624 HydrophobicContact CG-CD1 4.12Å; K492-Y624 HydrophobicContact CG-CE1 4.34Å; K492-V626 PolarHBondContact NZ-O 3.27Å
493	N	89.1	Confident	90.3	Very high	101 Å²	101	59.1 Å²	59.1	54%	0.54	33%	0.326	S	S	.	.	I	π-helix	trans	-83.6	-38	-173.4	-65.8	-21.9	0	0	0	113.3	T489 L490 A491	T489-N493 VanDerWaalsContact O-CG 3.28Å; T489-N493 PolarHBondContact O-N 2.87Å; T489-N493 PolarHBondContact O-ND2 3.28Å; L490-N493 PolarHBondContact O-N 3.37Å; A491-N493 PolarHBondContact O-N 2.87Å
494	L	88.4	Confident	90	Very high	145 Å²	145	56 Å²	56	76%	0.759	31%	0.312	S	S	*	.	I	π-helix	trans	-94.4	-38.8	-171.7	-60.1	176	0	0	0	112.9	L490	L490-L494 HydrophobicContact CB-CD1 4.31Å; L490-L494 HydrophobicContact CD2-CD1 4.17Å; L490-L494 VanDerWaalsContact O-CB 3.27Å; L490-L494 WeakPolarHBondContact O-CB 3.11Å; L490-L494 WeakPolarHBondContact O-CG 2.85Å; L490-L494 PolarHBondContact O-N 3.26Å
495	Y	86.8	Confident	89.7	Confident	148 Å²	148	55.8 Å²	55.8	58%	0.58	31%	0.311	S	S	*	.	I	π-helix	trans	-100.9	-36.3	-174.2	-173.4	-99.9	0	0	0	112.3	A491	A491-Y495 WeakPolarHBondContact O-CA 3.48Å; A491-Y495 WeakPolarHBondContact O-CB 3.39Å; A491-Y495 PolarHBondContact O-N 3.43Å
496	Y	88.3	Confident	89.5	Confident	16 Å²	16	56 Å²	56	6%	0.063	31%	0.313	C	S	.	.	S	Bend	trans	-106.8	18.7	-177.1	-59.4	-67.7	0	0	0	114.7	A491 K492 G498 V499 L504 Y508 Y624	A491-Y496 HydrophobicContact CB-CD2 4.41Å; A491-Y496 HydrophobicContact CB-CE2 4.3Å; A491-Y496 VanDerWaalsContact O-CD2 3.3Å; A491-Y496 WeakPolarHBondContact O-CD2 3.36Å; A491-Y496 PolarHBondContact O-N 3.46Å; K492-Y496 CarbonylContact O-C 3.57Å; Y496-G498 PolarHBondContact O-N 2.94Å; Y496-V499 HydrophobicContact CD1-CG2 4.37Å; Y496-V499 PolarHBondContact O-N 3.27Å; Y496-L504 HydrophobicContact CD1-CD2 3.58Å; Y496-L504 HydrophobicContact CD2-CD2 4.13Å; Y496-L504 HydrophobicContact CE1-CD2 4.12Å; Y496-L504 HydrophobicContact CG-CD1 4.15Å; Y496-L504 HydrophobicContact CG-CD2 3.58Å; Y496-Y508 HydrophobicContact CE2-CE2 4.16Å; Y496-Y624 HydrophobicContact CD2-CE1 4.35Å
497	G	75.3	Confident	89.3	Confident	66 Å²	66	53.6 Å²	53.6	68%	0.68	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-17.8	-171.6	0	0	0	0	0	116.3	K492	K492-G497 PolarHBondContact O-N 2.98Å
498	G	77.6	Confident	89.3	Confident	85 Å²	85	52.1 Å²	52.1	88%	0.876	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-1	176.2	0	0	0	0	0	115.8	Y496	Y496-G498 PolarHBondContact O-N 2.94Å
499	V	85.8	Confident	89.3	Confident	61 Å²	61	52.1 Å²	52.1	37%	0.37	29%	0.292	S	S	.	.	S	Bend	trans	-96.6	142.7	-177.2	-174	0	0	0	0	110.2	Y496 L501 E503 L504	Y496-V499 HydrophobicContact CD1-CG2 4.37Å; Y496-V499 PolarHBondContact O-N 3.27Å; V499-L501 PolarHBondContact O-N 3.36Å; V499-E503 HydrophobicContact CG1-CB 4.31Å; V499-L504 HydrophobicContact CB-CD1 4.26Å; V499-L504 HydrophobicContact CB-CD2 4.04Å; V499-L504 HydrophobicContact CB-CG 4.06Å; V499-L504 HydrophobicContact CG1-CD2 3.79Å; V499-L504 HydrophobicContact CG1-CG 3.82Å
500	R	86.3	Confident	89.5	Confident	141 Å²	141	51.5 Å²	51.5	53%	0.532	29%	0.289	S	S	.	.			trans	-65.3	129.5	178	-70.4	174	57.2	-174.8	-2.3	110.3	V502 E503 L504	R500-V502 PolarHBondContact O-N 3.01Å; R500-V502 VanDerWaalsContact O-N 3.1Å; R500-E503 HydrophobicContact CB-CB 4.42Å; R500-E503 HydrophobicContact CB-CG 4.08Å; R500-E503 IonicContact NE-OE1 3.54Å; R500-E503 IonicContact NH1-OE1 3.6Å; R500-E503 WeakPolarHBondContact O-CA 3.37Å; R500-E503 WeakPolarHBondContact O-CB 3.44Å; R500-E503 PolarHBondContact O-N 3.45Å; R500-L504 PolarHBondContact O-N 3.04Å; R500-L504 VanDerWaalsContact O-N 3.1Å
501	L	87.3	Confident	89.6	Confident	46 Å²	46	47.6 Å²	47.6	24%	0.241	27%	0.268	C	S	.	.	H	α-helix	trans	-55.1	-33.4	-178.2	-67.3	-169.7	0	0	0	114.5	L50 K492 V499 E503 L504 G505 Y624	L50-L501 HydrophobicContact CD1-CD1 3.88Å; L50-L501 HydrophobicContact CD2-CB 3.92Å; L50-L501 HydrophobicContact CD2-CD1 4.26Å; K492-L501 HydrophobicContact CD-CD2 4.29Å; K492-L501 VanDerWaalsContact CE-CD2 3.42Å; K492-L501 HydrophobicContact CG-CD2 4.08Å; V499-L501 PolarHBondContact O-N 3.36Å; L501-E503 VanDerWaalsContact C-N 3.35Å; L501-L504 HydrophobicContact CD2-CD1 4.11Å; L501-L504 PolarHBondContact O-N 3.21Å; L501-G505 PolarHBondContact O-N 2.9Å; L501-Y624 WeakPolarHBondContact CB-O 3.27Å
502	V	87.6	Confident	89.8	Confident	19 Å²	19	47.1 Å²	47.1	12%	0.115	26%	0.264	C	S	.	.	H	α-helix	trans	-68.3	-34.2	176.3	179.7	0	0	0	0	112	L48 L50 R500 D506 F552 L625	L48-V502 HydrophobicContact CB-CG2 4.2Å; L48-V502 HydrophobicContact CD1-CB 4.36Å; L48-V502 HydrophobicContact CD1-CG1 4.38Å; L48-V502 HydrophobicContact CD1-CG2 4.1Å; L50-V502 HydrophobicContact CD2-CG2 4.24Å; R500-V502 PolarHBondContact O-N 3.01Å; R500-V502 VanDerWaalsContact O-N 3.1Å; V502-D506 WeakPolarHBondContact O-CB 3.32Å; V502-D506 PolarHBondContact O-N 2.92Å; V502-F552 HydrophobicContact CG1-CE1 3.76Å; V502-F552 HydrophobicContact CG1-CE2 4.45Å; V502-F552 HydrophobicContact CG1-CZ 3.73Å; V502-L625 HydrophobicContact CB-CD2 4.47Å; V502-L625 HydrophobicContact CG2-CD2 4.25Å
503	E	88.6	Confident	90.1	Very high	98 Å²	98	46.5 Å²	46.5	46%	0.458	26%	0.261	S	S	.	.	H	α-helix	trans	-72.7	-37.8	175.2	-64.4	168.9	-175.4	0	0	110.9	V499 R500 L501 D506 L507	V499-E503 HydrophobicContact CG1-CB 4.31Å; R500-E503 HydrophobicContact CB-CB 4.42Å; R500-E503 HydrophobicContact CB-CG 4.08Å; R500-E503 IonicContact NE-OE1 3.54Å; R500-E503 IonicContact NH1-OE1 3.6Å; R500-E503 WeakPolarHBondContact O-CA 3.37Å; R500-E503 WeakPolarHBondContact O-CB 3.44Å; R500-E503 PolarHBondContact O-N 3.45Å; L501-E503 VanDerWaalsContact C-N 3.35Å; E503-D506 WeakPolarHBondContact O-CB 3.44Å; E503-D506 PolarHBondContact O-N 2.99Å; E503-L507 WeakPolarHBondContact O-CB 3.33Å; E503-L507 PolarHBondContact O-N 3.38Å
504	L	90.8	Very high	90.5	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-66	-41.7	172.6	-66.1	174.2	0	0	0	112.2	Y496 V499 R500 L501 D506 L507 Y508 Y624	Y496-L504 HydrophobicContact CD1-CD2 3.58Å; Y496-L504 HydrophobicContact CD2-CD2 4.13Å; Y496-L504 HydrophobicContact CE1-CD2 4.12Å; Y496-L504 HydrophobicContact CG-CD1 4.15Å; Y496-L504 HydrophobicContact CG-CD2 3.58Å; V499-L504 HydrophobicContact CB-CD1 4.26Å; V499-L504 HydrophobicContact CB-CD2 4.04Å; V499-L504 HydrophobicContact CB-CG 4.06Å; V499-L504 HydrophobicContact CG1-CD2 3.79Å; V499-L504 HydrophobicContact CG1-CG 3.82Å; R500-L504 PolarHBondContact O-N 3.04Å; R500-L504 VanDerWaalsContact O-N 3.1Å; L501-L504 HydrophobicContact CD2-CD1 4.11Å; L501-L504 PolarHBondContact O-N 3.21Å; L504-D506 VanDerWaalsContact C-N 3.31Å; L504-D506 PolarHBondContact O-N 3.45Å; L504-L507 PolarHBondContact O-N 3.46Å; L504-Y508 WeakPolarHBondContact O-CD2 3.47Å; L504-Y508 PolarHBondContact O-N 3.18Å; L504-Y624 HydrophobicContact CB-CD1 3.72Å; L504-Y624 HydrophobicContact CB-CG 4.03Å; L504-Y624 HydrophobicContact CD1-CD1 3.93Å; L504-Y624 HydrophobicContact CD1-CE1 4.46Å; L504-Y624 HydrophobicContact CG-CD1 4.38Å
505	G	91.1	Very high	91	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.5	-47.3	173.1	0	0	0	0	0	111	L501 L507 Y508 F509 H621	L501-G505 PolarHBondContact O-N 2.9Å; G505-L507 VanDerWaalsContact C-N 3.34Å; G505-L507 PolarHBondContact O-N 3.2Å; G505-Y508 PolarHBondContact O-N 2.89Å; G505-F509 PolarHBondContact O-N 3.12Å; G505-F509 VanDerWaalsContact O-N 3.09Å; G505-H621 PolarHBondContact O-CE1 3.08Å; G505-H621 PolarHBondContact O-ND1 2.85Å
506	D	92.3	Very high	91.5	Very high	29 Å²	29	31.2 Å²	31.2	16%	0.155	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-42.8	174.6	-170.8	24.3	0	0	0	112.7	K416 V502 E503 L504 F509 D510 R545 F552	K416-D506 WeakPolarHBondContact CE-OD2 3.48Å; K416-D506 IonicContact NZ-OD1 3.93Å; K416-D506 PolarHBondContact NZ-OD1 3.01Å; K416-D506 IonicContact NZ-OD2 3.48Å; K416-D506 PolarHBondContact NZ-OD2 3.46Å; V502-D506 WeakPolarHBondContact O-CB 3.32Å; V502-D506 PolarHBondContact O-N 2.92Å; E503-D506 WeakPolarHBondContact O-CB 3.44Å; E503-D506 PolarHBondContact O-N 2.99Å; L504-D506 VanDerWaalsContact C-N 3.31Å; L504-D506 PolarHBondContact O-N 3.45Å; D506-F509 WeakPolarHBondContact O-CB 3.46Å; D506-F509 PolarHBondContact O-N 2.74Å; D506-D510 PolarHBondContact O-N 3.02Å; D506-R545 IonicContact OD1-CZ 3.16Å; D506-R545 VanDerWaalsContact OD1-CZ 3.26Å; D506-R545 IonicContact OD1-NE 3.88Å; D506-R545 IonicContact OD1-NH2 3.4Å; D506-R545 PolarHBondContact OD1-NH2 2.91Å; D506-R545 IonicContact OD2-NH2 3.69Å; D506-F552 HydrophobicContact CB-CE1 4.12Å
507	L	94.4	Very high	92	Very high	16 Å²	16	30.5 Å²	30.5	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-46	177.8	-176.1	63.4	0	0	0	112.3	Y427 D430 L431 A434 E503 L504 G505 F509 D510 V511	Y427-L507 HydrophobicContact CE2-CD1 4.18Å; D430-L507 HydrophobicContact CB-CD2 4.36Å; L431-L507 HydrophobicContact CB-CD1 4.17Å; L431-L507 HydrophobicContact CD1-CD1 4.1Å; A434-L507 HydrophobicContact CB-CD2 3.84Å; A434-L507 HydrophobicContact CB-CG 4.07Å; E503-L507 WeakPolarHBondContact O-CB 3.33Å; E503-L507 PolarHBondContact O-N 3.38Å; L504-L507 PolarHBondContact O-N 3.46Å; G505-L507 VanDerWaalsContact C-N 3.34Å; G505-L507 PolarHBondContact O-N 3.2Å; L507-F509 VanDerWaalsContact C-N 3.3Å; L507-F509 PolarHBondContact O-N 2.81Å; L507-D510 WeakPolarHBondContact O-CB 3.46Å; L507-D510 PolarHBondContact O-N 3.09Å; L507-D510 VanDerWaalsContact O-N 3.09Å; L507-V511 WeakPolarHBondContact O-CG2 3.4Å; L507-V511 PolarHBondContact O-N 3.36Å
508	Y	95.5	Very high	93.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-74.4	-18.6	-179.2	-85.4	-87.3	0	0	0	114	A434 H488 Y496 L504 G505 S512 Y624	A434-Y508 HydrophobicContact CB-CE1 4.37Å; A434-Y508 HydrophobicContact CB-CE2 4.13Å; H488-Y508 AromaticContact CE1-CE1 3.45Å; H488-Y508 VanDerWaalsContact CE1-CE1 3.45Å; H488-Y508 WeakPolarHBondContact CE1-CE1 3.38Å; H488-Y508 AromaticContact ND1-CE1 3.49Å; H488-Y508 WeakPolarHBondContact ND1-CE1 3.38Å; H488-Y508 AromaticContact ND1-CZ 3.91Å; Y496-Y508 HydrophobicContact CE2-CE2 4.16Å; L504-Y508 WeakPolarHBondContact O-CD2 3.47Å; L504-Y508 PolarHBondContact O-N 3.18Å; G505-Y508 PolarHBondContact O-N 2.89Å; Y508-S512 PolarHBondContact O-N 2.9Å; Y508-S512 PolarHBondContact O-OG 3.36Å; Y508-Y624 HydrophobicContact CD1-CD2 4.4Å; Y508-Y624 AromaticContact CD1-CE2 3.7Å; Y508-Y624 HydrophobicContact CD1-CE2 3.7Å; Y508-Y624 HydrophobicContact CD2-CD1 4.32Å; Y508-Y624 AromaticContact CD2-CD2 3.49Å; Y508-Y624 HydrophobicContact CD2-CD2 3.49Å; Y508-Y624 VanDerWaalsContact CD2-CD2 3.49Å; Y508-Y624 HydrophobicContact CD2-CE1 4.06Å; Y508-Y624 AromaticContact CD2-CE2 3.21Å; Y508-Y624 HydrophobicContact CD2-CE2 3.21Å; Y508-Y624 HydrophobicContact CD2-CG 4.07Å; Y508-Y624 AromaticContact CD2-CZ 3.53Å; Y508-Y624 AromaticContact CE1-CE2 3.85Å; Y508-Y624 HydrophobicContact CE1-CE2 3.85Å; Y508-Y624 HydrophobicContact CE2-CD1 4.37Å; Y508-Y624 HydrophobicContact CE2-CD2 4.06Å; Y508-Y624 AromaticContact CE2-CE1 3.7Å; Y508-Y624 HydrophobicContact CE2-CE1 3.7Å; Y508-Y624 AromaticContact CE2-CE2 3.37Å; Y508-Y624 HydrophobicContact CE2-CE2 3.37Å; Y508-Y624 AromaticContact CE2-CZ 3.16Å; Y508-Y624 VanDerWaalsContact CE2-OH 3.3Å; Y508-Y624 WeakPolarHBondContact CE2-OH 3.28Å; Y508-Y624 AromaticContact CG-CD2 3.68Å; Y508-Y624 HydrophobicContact CG-CD2 3.68Å; Y508-Y624 AromaticContact CG-CE2 3.37Å; Y508-Y624 HydrophobicContact CG-CE2 3.37Å; Y508-Y624 AromaticContact CZ-CE2 3.68Å; Y508-Y624 AromaticContact CZ-CZ 3.45Å; Y508-Y624 VanDerWaalsContact CZ-CZ 3.45Å; Y508-Y624 PolarHBondContact OH-OH 2.92Å; Y508-Y624 VanDerWaalsContact OH-OH 3.08Å
509	F	96.6	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.4	-49.6	162.9	174.5	-88.2	0	0	0	110.4	G505 D506 L507 V511 S512 L513 P541 R545 Y565 Y618	G505-F509 PolarHBondContact O-N 3.12Å; G505-F509 VanDerWaalsContact O-N 3.09Å; D506-F509 WeakPolarHBondContact O-CB 3.46Å; D506-F509 PolarHBondContact O-N 2.74Å; L507-F509 VanDerWaalsContact C-N 3.3Å; L507-F509 PolarHBondContact O-N 2.81Å; F509-V511 VanDerWaalsContact C-N 3.33Å; F509-V511 PolarHBondContact O-N 3.31Å; F509-S512 PolarHBondContact O-N 2.95Å; F509-L513 HydrophobicContact CE1-CB 4.47Å; F509-L513 HydrophobicContact CE1-CD2 4.18Å; F509-L513 PolarHBondContact O-N 3.08Å; F509-P541 HydrophobicContact CE2-CB 4.02Å; F509-P541 HydrophobicContact CZ-CB 4.08Å; F509-P541 WeakPolarHBondContact CZ-O 3.29Å; F509-R545 HydrophobicContact CD1-CG 4.03Å; F509-R545 HydrophobicContact CE1-CB 3.62Å; F509-R545 HydrophobicContact CE1-CG 3.47Å; F509-R545 VanDerWaalsContact CE1-CG 3.47Å; F509-R545 HydrophobicContact CE2-CB 4.32Å; F509-R545 HydrophobicContact CZ-CB 3.49Å; F509-R545 VanDerWaalsContact CZ-CB 3.49Å; F509-R545 HydrophobicContact CZ-CG 3.89Å; F509-Y565 AromaticContact CD2-CE2 3.81Å; F509-Y565 HydrophobicContact CD2-CE2 3.81Å; F509-Y565 WeakPolarHBondContact CD2-OH 3.48Å; F509-Y565 AromaticContact CE2-CE2 3.87Å; F509-Y565 HydrophobicContact CE2-CE2 3.87Å; F509-Y618 AromaticContact CD2-CD1 4Å; F509-Y618 HydrophobicContact CD2-CD1 4Å; F509-Y618 HydrophobicContact CD2-CE1 4.16Å; F509-Y618 AromaticContact CE2-CD1 3.94Å; F509-Y618 HydrophobicContact CE2-CD1 3.94Å; F509-Y618 AromaticContact CE2-CE1 3.84Å; F509-Y618 HydrophobicContact CE2-CE1 3.84Å; F509-Y618 HydrophobicContact CZ-CE1 4.35Å
510	D	97.1	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-36.5	179.3	-63.8	-20.5	0	0	0	112.2	Y412 L413 K416 Y427 L431 D506 L507 L513 L514	Y412-D510 WeakPolarHBondContact CE1-OD1 3.47Å; Y412-D510 PolarHBondContact OH-OD1 2.85Å; L413-D510 HydrophobicContact CD2-CB 3.88Å; K416-D510 WeakPolarHBondContact CD-OD2 3.27Å; K416-D510 VanDerWaalsContact CE-OD2 3.32Å; K416-D510 WeakPolarHBondContact CE-OD2 3.38Å; K416-D510 IonicContact NZ-OD1 3.84Å; K416-D510 PolarHBondContact NZ-OD1 3.03Å; K416-D510 IonicContact NZ-OD2 2.87Å; K416-D510 PolarHBondContact NZ-OD2 2.75Å; Y427-D510 PolarHBondContact OH-OD2 3.23Å; L431-D510 HydrophobicContact CD1-CB 3.99Å; D506-D510 PolarHBondContact O-N 3.02Å; L507-D510 WeakPolarHBondContact O-CB 3.46Å; L507-D510 PolarHBondContact O-N 3.09Å; L507-D510 VanDerWaalsContact O-N 3.09Å; D510-L513 PolarHBondContact O-N 3.31Å; D510-L514 WeakPolarHBondContact O-CB 3.32Å; D510-L514 PolarHBondContact O-N 3.02Å
511	V	97.4	Very high	95.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.1	-49	173	170.5	0	0	0	0	110.6	L431 A434 A438 L507 F509 L513 L514 L515	L431-V511 HydrophobicContact CD1-CG2 3.78Å; A434-V511 HydrophobicContact CB-CG2 3.59Å; A438-V511 HydrophobicContact CB-CG1 3.87Å; L507-V511 WeakPolarHBondContact O-CG2 3.4Å; L507-V511 PolarHBondContact O-N 3.36Å; F509-V511 VanDerWaalsContact C-N 3.33Å; F509-V511 PolarHBondContact O-N 3.31Å; V511-L513 VanDerWaalsContact C-N 3.33Å; V511-L513 PolarHBondContact O-N 3.08Å; V511-L514 PolarHBondContact O-N 3.43Å; V511-L515 HydrophobicContact CG1-CD1 3.79Å; V511-L515 HydrophobicContact CG1-CG 4.44Å; V511-L515 WeakPolarHBondContact O-CG 3.38Å; V511-L515 PolarHBondContact O-N 3.39Å
512	S	97.7	Very high	95.8	Very high	3 Å²	3	25 Å²	25	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-43.6	178.9	-56.1	0	0	0	0	111.2	Y508 F509 L514 L515 W516 S617	Y508-S512 PolarHBondContact O-N 2.9Å; Y508-S512 PolarHBondContact O-OG 3.36Å; F509-S512 PolarHBondContact O-N 2.95Å; S512-L514 PolarHBondContact O-N 3.37Å; S512-L515 PolarHBondContact O-N 3.44Å; S512-W516 PolarHBondContact O-N 3.05Å; S512-S617 PolarHBondContact OG-O 3.47Å
513	L	98.1	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-43	176	-174	69.6	0	0	0	112.1	T409 Y412 F509 D510 V511 C517 V538 L542 Y618	T409-L513 HydrophobicContact CG2-CD1 4.37Å; T409-L513 HydrophobicContact CG2-CD2 3.82Å; T409-L513 HydrophobicContact CG2-CG 3.71Å; Y412-L513 HydrophobicContact CD1-CD2 3.86Å; Y412-L513 HydrophobicContact CE1-CD2 3.88Å; F509-L513 HydrophobicContact CE1-CB 4.47Å; F509-L513 HydrophobicContact CE1-CD2 4.18Å; F509-L513 PolarHBondContact O-N 3.08Å; D510-L513 PolarHBondContact O-N 3.31Å; V511-L513 VanDerWaalsContact C-N 3.33Å; V511-L513 PolarHBondContact O-N 3.08Å; L513-C517 WeakPolarHBondContact O-CB 3.22Å; L513-C517 PolarHBondContact O-N 3.35Å; L513-V538 HydrophobicContact CD1-CB 4.46Å; L513-V538 HydrophobicContact CD1-CG1 3.86Å; L513-L542 HydrophobicContact CD1-CB 4.14Å; L513-L542 HydrophobicContact CD2-CD1 4.1Å; L513-Y618 WeakPolarHBondContact CA-OH 3.45Å
514	L	98.2	Very high	96.7	Very high	33 Å²	33	21.2 Å²	21.2	17%	0.173	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-48.2	177.3	177.4	64.1	0	0	0	111.3	L413 L431 D510 V511 S512 C517 C518	L413-L514 HydrophobicContact CD1-CB 4.34Å; L413-L514 HydrophobicContact CD1-CD1 4.08Å; L431-L514 HydrophobicContact CD2-CD2 4.13Å; L431-L514 HydrophobicContact CG-CD2 4.19Å; D510-L514 WeakPolarHBondContact O-CB 3.32Å; D510-L514 PolarHBondContact O-N 3.02Å; V511-L514 PolarHBondContact O-N 3.43Å; S512-L514 PolarHBondContact O-N 3.37Å; L514-C517 WeakPolarHBondContact O-CB 3.33Å; L514-C517 PolarHBondContact O-N 2.86Å; L514-C518 PolarHBondContact O-N 2.91Å; L514-C518 PolarHBondContact O-SG 3.36Å
515	L	97.9	Very high	97	Very high	24 Å²	24	27.4 Å²	27.4	13%	0.126	14%	0.141	C	C	.	.	H	α-helix	trans	-61.8	-46.1	-179.1	-71.3	169.4	0	0	0	111.5	T435 A438 V439 W442 V511 S512 C517 C518 S519	T435-L515 HydrophobicContact CG2-CD1 4.46Å; T435-L515 HydrophobicContact CG2-CD2 3.72Å; T435-L515 HydrophobicContact CG2-CG 4.15Å; A438-L515 HydrophobicContact CB-CD1 4.2Å; V439-L515 HydrophobicContact CG2-CD1 4.38Å; V439-L515 HydrophobicContact CG2-CD2 3.78Å; W442-L515 HydrophobicContact CH2-CB 4.09Å; W442-L515 HydrophobicContact CH2-CD1 3.42Å; W442-L515 VanDerWaalsContact CH2-CD1 3.42Å; W442-L515 HydrophobicContact CH2-CG 4.23Å; W442-L515 HydrophobicContact CZ2-CD1 3.82Å; W442-L515 HydrophobicContact CZ3-CD1 3.99Å; V511-L515 HydrophobicContact CG1-CD1 3.79Å; V511-L515 HydrophobicContact CG1-CG 4.44Å; V511-L515 WeakPolarHBondContact O-CG 3.38Å; V511-L515 PolarHBondContact O-N 3.39Å; S512-L515 PolarHBondContact O-N 3.44Å; L515-C517 VanDerWaalsContact C-N 3.34Å; L515-C517 PolarHBondContact O-N 2.83Å; L515-C518 WeakPolarHBondContact O-CB 3.22Å; L515-C518 PolarHBondContact O-N 2.97Å; L515-S519 PolarHBondContact O-N 3.2Å; L515-S519 PolarHBondContact O-OG 2.64Å
516	W	98.2	Very high	97.2	Very high	17 Å²	17	35.7 Å²	35.7	6%	0.064	17%	0.172	C	C	.	.	H	α-helix	trans	-64.3	-36.8	174.4	-78.6	114.4	0	0	0	112.7	S512 S519 L520 P534 M537 V538 F576 F614 S617 Y618	S512-W516 PolarHBondContact O-N 3.05Å; W516-S519 PolarHBondContact O-N 3.06Å; W516-L520 WeakPolarHBondContact O-CB 3.14Å; W516-L520 PolarHBondContact O-N 3.29Å; W516-P534 HydrophobicContact CE3-CB 3.67Å; W516-P534 HydrophobicContact CZ3-CB 4.07Å; W516-M537 HydrophobicContact CB-CB 4.47Å; W516-M537 HydrophobicContact CD2-CB 3.63Å; W516-M537 HydrophobicContact CD2-CG 4.2Å; W516-M537 HydrophobicContact CE3-CB 3.84Å; W516-M537 HydrophobicContact CE3-CG 4.22Å; W516-M537 HydrophobicContact CG-CB 3.93Å; W516-M537 HydrophobicContact CH2-CE 4.2Å; W516-M537 HydrophobicContact CH2-CG 4.18Å; W516-M537 HydrophobicContact CZ2-CB 4.44Å; W516-M537 HydrophobicContact CZ2-CE 3.48Å; W516-M537 VanDerWaalsContact CZ2-CE 3.48Å; W516-M537 HydrophobicContact CZ2-CG 4.14Å; W516-M537 HydrophobicContact CZ3-CB 4.33Å; W516-M537 HydrophobicContact CZ3-CG 4.21Å; W516-V538 HydrophobicContact CB-CG2 3.64Å; W516-F576 AromaticContact CH2-CE2 3.46Å; W516-F576 HydrophobicContact CH2-CE2 3.46Å; W516-F576 VanDerWaalsContact CH2-CE2 3.46Å; W516-F576 AromaticContact CH2-CZ 3.64Å; W516-F576 HydrophobicContact CH2-CZ 3.64Å; W516-F576 HydrophobicContact CZ2-CE2 4.23Å; W516-F576 HydrophobicContact CZ3-CE2 4.03Å; W516-F576 HydrophobicContact CZ3-CZ 4.34Å; W516-F614 HydrophobicContact CH2-CB 4.11Å; W516-F614 AromaticContact CH2-CD1 3.99Å; W516-F614 HydrophobicContact CH2-CD1 3.99Å; W516-F614 HydrophobicContact CH2-CD2 4.32Å; W516-F614 HydrophobicContact CH2-CE1 4.48Å; W516-F614 AromaticContact CH2-CG 3.9Å; W516-F614 HydrophobicContact CH2-CG 3.9Å; W516-F614 HydrophobicContact CZ2-CB 3.99Å; W516-F614 HydrophobicContact CZ2-CD1 4.12Å; W516-F614 HydrophobicContact CZ2-CG 4.15Å; W516-S617 PolarHBondContact NE1-OG 3.06Å; W516-Y618 AromaticContact CD1-CE2 3.46Å; W516-Y618 VanDerWaalsContact CD1-CE2 3.46Å; W516-Y618 AromaticContact CD1-CZ 3.85Å; W516-Y618 HydrophobicContact CG-CE2 4.42Å; W516-Y618 AromaticContact NE1-CE2 3.72Å
517	C	98.5	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-38.5	174.7	-172.3	0	0	0	0	112.1	T409 L513 L514 L515 L520 V521 V538	T409-C517 HydrophobicContact CG2-CB 3.95Å; L513-C517 WeakPolarHBondContact O-CB 3.22Å; L513-C517 PolarHBondContact O-N 3.35Å; L514-C517 WeakPolarHBondContact O-CB 3.33Å; L514-C517 PolarHBondContact O-N 2.86Å; L515-C517 VanDerWaalsContact C-N 3.34Å; L515-C517 PolarHBondContact O-N 2.83Å; C517-L520 WeakPolarHBondContact O-CB 3.17Å; C517-L520 PolarHBondContact O-N 3.29Å; C517-V521 WeakPolarHBondContact O-CG2 3.22Å; C517-V521 PolarHBondContact O-N 3.08Å; C517-V538 HydrophobicContact CB-CG2 4.24Å
518	C	98.1	Very high	97.3	Very high	66 Å²	66	38.8 Å²	38.8	45%	0.446	20%	0.2	S	C	.	.	H	α-helix	trans	-63.4	-45.2	173.3	-70.8	0	0	0	0	111.1	L514 L515 L520 V521 W522	L514-C518 PolarHBondContact O-N 2.91Å; L514-C518 PolarHBondContact O-SG 3.36Å; L515-C518 WeakPolarHBondContact O-CB 3.22Å; L515-C518 PolarHBondContact O-N 2.97Å; C518-L520 VanDerWaalsContact C-N 3.34Å; C518-L520 PolarHBondContact O-N 3.35Å; C518-V521 PolarHBondContact O-N 3.01Å; C518-W522 WeakPolarHBondContact O-CB 3.46Å; C518-W522 PolarHBondContact O-N 3.2Å
519	S	97.8	Very high	97.3	Very high	53 Å²	53	39.3 Å²	39.3	37%	0.371	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-42.2	174.3	-61.4	0	0	0	0	112.2	L515 W516 W522 L523	L515-S519 PolarHBondContact O-N 3.2Å; L515-S519 PolarHBondContact O-OG 2.64Å; W516-S519 PolarHBondContact O-N 3.06Å; S519-W522 PolarHBondContact O-N 3.45Å; S519-L523 WeakPolarHBondContact O-CG 3.43Å; S519-L523 PolarHBondContact O-N 3.26Å
520	L	98.6	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.1	-50.6	175.3	173.1	59.2	0	0	0	111.7	N402 V405 A406 W516 C517 C518 T524 A531 P534 M535 V538	N402-L520 HydrophobicContact CB-CD1 3.7Å; N402-L520 HydrophobicContact CB-CG 4.29Å; V405-L520 HydrophobicContact CB-CD2 4.4Å; V405-L520 HydrophobicContact CG1-CD2 4.11Å; A406-L520 HydrophobicContact CB-CD2 4.41Å; W516-L520 WeakPolarHBondContact O-CB 3.14Å; W516-L520 PolarHBondContact O-N 3.29Å; C517-L520 WeakPolarHBondContact O-CB 3.17Å; C517-L520 PolarHBondContact O-N 3.29Å; C518-L520 VanDerWaalsContact C-N 3.34Å; C518-L520 PolarHBondContact O-N 3.35Å; L520-T524 VanDerWaalsContact O-CB 3.27Å; L520-T524 WeakPolarHBondContact O-CB 3.47Å; L520-T524 PolarHBondContact O-N 2.8Å; L520-T524 PolarHBondContact O-OG1 2.89Å; L520-A531 HydrophobicContact CD1-CB 4.41Å; L520-A531 VanDerWaalsContact CD1-O 3.25Å; L520-A531 WeakPolarHBondContact CD1-O 3.05Å; L520-P534 HydrophobicContact CB-CB 4.1Å; L520-P534 HydrophobicContact CB-CG 4.23Å; L520-P534 HydrophobicContact CD1-CG 4.3Å; L520-M535 HydrophobicContact CD1-CB 3.68Å; L520-M535 HydrophobicContact CD2-CB 4.34Å; L520-V538 HydrophobicContact CD2-CB 4.48Å; L520-V538 HydrophobicContact CD2-CG2 4.34Å
521	V	98.4	Very high	97.2	Very high	29 Å²	29	40 Å²	40	18%	0.176	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-43.7	179.2	171.6	0	0	0	0	110.6	A406 F410 C517 C518 T524 Q525	A406-V521 HydrophobicContact CB-CG2 3.79Å; F410-V521 HydrophobicContact CE2-CG2 4.48Å; C517-V521 WeakPolarHBondContact O-CG2 3.22Å; C517-V521 PolarHBondContact O-N 3.08Å; C518-V521 PolarHBondContact O-N 3.01Å; V521-T524 PolarHBondContact O-N 3.27Å; V521-Q525 HydrophobicContact CG1-CG 4.35Å; V521-Q525 WeakPolarHBondContact O-CB 3.34Å; V521-Q525 VanDerWaalsContact O-CG 3.27Å; V521-Q525 WeakPolarHBondContact O-CG 3.45Å; V521-Q525 PolarHBondContact O-N 3.36Å
522	W	98.3	Very high	97.2	Very high	136 Å²	136	40.1 Å²	40.1	52%	0.515	21%	0.209	S	C	.	.	H	α-helix	trans	-63	-49.3	-179.9	-178.6	81.4	0	0	0	112.6	C518 S519 T524 Q525 R526	C518-W522 WeakPolarHBondContact O-CB 3.46Å; C518-W522 PolarHBondContact O-N 3.2Å; S519-W522 PolarHBondContact O-N 3.45Å; W522-T524 VanDerWaalsContact C-N 3.33Å; W522-T524 PolarHBondContact O-N 3.15Å; W522-Q525 PolarHBondContact O-N 3.03Å; W522-R526 HydrophobicContact CD2-CG 4.49Å; W522-R526 HydrophobicContact CZ2-CG 4.31Å; W522-R526 WeakPolarHBondContact O-CG 3.4Å; W522-R526 PolarHBondContact O-N 3.44Å; W522-R526 VanDerWaalsContact O-N 3.09Å
523	L	97.7	Very high	97.1	Very high	29 Å²	29	40.7 Å²	40.7	15%	0.152	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-40.3	176.9	-69.7	-176.9	0	0	0	111.7	S519 Q525 R526 G527 L528 A531 P534	S519-L523 WeakPolarHBondContact O-CG 3.43Å; S519-L523 PolarHBondContact O-N 3.26Å; L523-Q525 VanDerWaalsContact C-N 3.35Å; L523-Q525 PolarHBondContact O-N 3.47Å; L523-R526 PolarHBondContact O-N 2.98Å; L523-G527 PolarHBondContact O-N 3.13Å; L523-L528 HydrophobicContact CB-CB 4.46Å; L523-L528 HydrophobicContact CD2-CB 4.46Å; L523-L528 HydrophobicContact CD2-CD1 3.53Å; L523-L528 PolarHBondContact O-N 2.63Å; L523-L528 VanDerWaalsContact O-N 3.1Å; L523-A531 HydrophobicContact CB-CB 3.7Å; L523-P534 HydrophobicContact CD1-CG 3.81Å
524	T	97.6	Very high	97.1	Very high	9 Å²	9	40.9 Å²	40.9	6%	0.055	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-40.8	177.7	-56.8	0	0	0	0	111.4	T399 N402 Y403 L520 V521 W522 R526 G527	T399-T524 HydrophobicContact CG2-CG2 3.84Å; N402-T524 HydrophobicContact CB-CG2 4.08Å; N402-T524 WeakPolarHBondContact CB-OG1 3.09Å; N402-T524 PolarHBondContact ND2-OG1 2.92Å; Y403-T524 HydrophobicContact CD2-CG2 4.4Å; Y403-T524 HydrophobicContact CE1-CG2 4.23Å; Y403-T524 HydrophobicContact CE2-CG2 3.88Å; L520-T524 VanDerWaalsContact O-CB 3.27Å; L520-T524 WeakPolarHBondContact O-CB 3.47Å; L520-T524 PolarHBondContact O-N 2.8Å; L520-T524 PolarHBondContact O-OG1 2.89Å; V521-T524 PolarHBondContact O-N 3.27Å; W522-T524 VanDerWaalsContact C-N 3.33Å; W522-T524 PolarHBondContact O-N 3.15Å; T524-R526 VanDerWaalsContact C-N 3.29Å; T524-R526 PolarHBondContact O-N 3.39Å; T524-G527 PolarHBondContact O-N 3.05Å; T524-G527 VanDerWaalsContact O-N 3.07Å
525	Q	96.8	Very high	97.1	Very high	132 Å²	132	40.2 Å²	40.2	62%	0.617	21%	0.21	S	C	*	.	H	α-helix	trans	-66.4	-29.9	175.9	-76.3	175	-10.5	0	0	113.1	V521 W522 L523 G527	V521-Q525 HydrophobicContact CG1-CG 4.35Å; V521-Q525 WeakPolarHBondContact O-CB 3.34Å; V521-Q525 VanDerWaalsContact O-CG 3.27Å; V521-Q525 WeakPolarHBondContact O-CG 3.45Å; V521-Q525 PolarHBondContact O-N 3.36Å; W522-Q525 PolarHBondContact O-N 3.03Å; L523-Q525 VanDerWaalsContact C-N 3.35Å; L523-Q525 PolarHBondContact O-N 3.47Å; Q525-G527 PolarHBondContact O-N 3.15Å
526	R	96.3	Very high	97	Very high	173 Å²	173	39.9 Å²	39.9	65%	0.653	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-3.7	173	-67.4	-68.1	-173.1	160.4	0.5	113.2	W522 L523 T524 L528	W522-R526 HydrophobicContact CD2-CG 4.49Å; W522-R526 HydrophobicContact CZ2-CG 4.31Å; W522-R526 WeakPolarHBondContact O-CG 3.4Å; W522-R526 PolarHBondContact O-N 3.44Å; W522-R526 VanDerWaalsContact O-N 3.09Å; L523-R526 PolarHBondContact O-N 2.98Å; T524-R526 VanDerWaalsContact C-N 3.29Å; T524-R526 PolarHBondContact O-N 3.39Å; R526-L528 HydrophobicContact CB-CD1 4.06Å; R526-L528 HydrophobicContact CB-CG 3.97Å; R526-L528 PolarHBondContact O-N 3.32Å
527	G	93.6	Very high	97	Very high	50 Å²	50	39.1 Å²	39.1	52%	0.515	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	16.7	-177.4	0	0	0	0	0	113.9	L523 T524 Q525	L523-G527 PolarHBondContact O-N 3.13Å; T524-G527 PolarHBondContact O-N 3.05Å; T524-G527 VanDerWaalsContact O-N 3.07Å; Q525-G527 PolarHBondContact O-N 3.15Å
528	L	94.8	Very high	97	Very high	61 Å²	61	39.1 Å²	39.1	32%	0.319	21%	0.205	S	C	.	.			trans	-79	124.3	-178.7	-64.9	173.9	0	0	0	110.2	E298 L523 R526 S530 A531	E298-L528 HydrophobicContact CG-CD2 4.41Å; E298-L528 WeakPolarHBondContact OE1-CA 3.05Å; L523-L528 HydrophobicContact CB-CB 4.46Å; L523-L528 HydrophobicContact CD2-CB 4.46Å; L523-L528 HydrophobicContact CD2-CD1 3.53Å; L523-L528 PolarHBondContact O-N 2.63Å; L523-L528 VanDerWaalsContact O-N 3.1Å; R526-L528 HydrophobicContact CB-CD1 4.06Å; R526-L528 HydrophobicContact CB-CG 3.97Å; R526-L528 PolarHBondContact O-N 3.32Å; L528-S530 PolarHBondContact O-N 2.93Å; L528-A531 WeakPolarHBondContact O-CB 3.49Å; L528-A531 PolarHBondContact O-N 3.39Å
529	C	94.7	Very high	97	Very high	10 Å²	10	36.9 Å²	36.9	7%	0.068	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-66.6	-26.1	175.7	-69.4	0	0	0	0	111.8	V294 E298 V381 A531 Y532	V294-C529 HydrophobicContact CG1-CB 4.45Å; V294-C529 HydrophobicContact CG2-CB 3.48Å; V294-C529 VanDerWaalsContact CG2-CB 3.48Å; E298-C529 WeakPolarHBondContact OE1-CA 3.25Å; E298-C529 WeakPolarHBondContact OE1-CB 3.45Å; E298-C529 PolarHBondContact OE1-N 3.01Å; V381-C529 HydrophobicContact CG2-CB 3.92Å; C529-A531 PolarHBondContact O-N 3.32Å; C529-Y532 WeakPolarHBondContact O-CD1 3.3Å; C529-Y532 PolarHBondContact O-N 2.87Å
530	S	95.6	Very high	97	Very high	16 Å²	16	38.1 Å²	38.1	11%	0.112	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-60.7	-9.9	171.6	60.1	0	0	0	0	114.6	E298 L528 Y532 V533 P534	E298-S530 PolarHBondContact OE1-N 2.83Å; E298-S530 VanDerWaalsContact OE1-N 3.14Å; E298-S530 WeakPolarHBondContact OE2-CB 3.27Å; E298-S530 PolarHBondContact OE2-N 2.92Å; E298-S530 PolarHBondContact OE2-OG 3.05Å; L528-S530 PolarHBondContact O-N 2.93Å; S530-Y532 PolarHBondContact O-N 3.45Å; S530-V533 WeakPolarHBondContact O-CB 3.31Å; S530-V533 PolarHBondContact O-N 3.43Å; S530-P534 WeakPolarHBondContact O-CD 3.38Å
531	A	97.3	Very high	96.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-55.7	-17.7	173.4	0	0	0	0	0	114.1	N402 L520 L523 L528 C529 V533 P534 M535	N402-A531 VanDerWaalsContact ND2-CB 3.33Å; N402-A531 WeakPolarHBondContact ND2-CB 3.47Å; L520-A531 HydrophobicContact CD1-CB 4.41Å; L520-A531 VanDerWaalsContact CD1-O 3.25Å; L520-A531 WeakPolarHBondContact CD1-O 3.05Å; L523-A531 HydrophobicContact CB-CB 3.7Å; L528-A531 WeakPolarHBondContact O-CB 3.49Å; L528-A531 PolarHBondContact O-N 3.39Å; C529-A531 PolarHBondContact O-N 3.32Å; A531-V533 PolarHBondContact O-N 2.88Å; A531-P534 VanDerWaalsContact O-CD 3.24Å; A531-P534 WeakPolarHBondContact O-CD 3.26Å; A531-P534 VanDerWaalsContact O-CG 3.27Å; A531-P534 WeakPolarHBondContact O-CG 3.32Å; A531-M535 WeakPolarHBondContact O-CB 3.2Å; A531-M535 PolarHBondContact O-N 3.47Å; A531-M535 VanDerWaalsContact O-N 3.11Å
532	Y	96.5	Very high	96.9	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-28.6	171.5	86.7	-87.8	0	0	0	112.8	V294 V295 V381 F383 Y393 C529 S530 M535 L536 H575	V294-Y532 HydrophobicContact CG1-CD1 3.98Å; V294-Y532 HydrophobicContact CG1-CE1 3.5Å; V295-Y532 HydrophobicContact CG2-CE1 4.12Å; V381-Y532 HydrophobicContact CG1-CD1 3.71Å; V381-Y532 HydrophobicContact CG1-CG 3.93Å; F383-Y532 HydrophobicContact CB-CE1 4.38Å; F383-Y532 HydrophobicContact CB-CE2 4.16Å; F383-Y532 WeakPolarHBondContact CB-OH 3.34Å; F383-Y532 HydrophobicContact CD1-CD1 4.1Å; F383-Y532 AromaticContact CD1-CD2 3.59Å; F383-Y532 HydrophobicContact CD1-CD2 3.59Å; F383-Y532 AromaticContact CD1-CE1 3.89Å; F383-Y532 HydrophobicContact CD1-CE1 3.89Å; F383-Y532 AromaticContact CD1-CE2 3.33Å; F383-Y532 HydrophobicContact CD1-CE2 3.33Å; F383-Y532 AromaticContact CD1-CG 3.98Å; F383-Y532 HydrophobicContact CD1-CG 3.98Å; F383-Y532 AromaticContact CD1-CZ 3.49Å; F383-Y532 VanDerWaalsContact CD1-CZ 3.49Å; F383-Y532 AromaticContact CD2-CE2 3.86Å; F383-Y532 HydrophobicContact CD2-CE2 3.86Å; F383-Y532 HydrophobicContact CE1-CD1 4.42Å; F383-Y532 AromaticContact CE1-CD2 3.36Å; F383-Y532 HydrophobicContact CE1-CD2 3.36Å; F383-Y532 AromaticContact CE1-CE2 3.54Å; F383-Y532 HydrophobicContact CE1-CE2 3.54Å; F383-Y532 AromaticContact CE1-CG 3.85Å; F383-Y532 HydrophobicContact CE1-CG 3.85Å; F383-Y532 HydrophobicContact CE2-CD2 4.4Å; F383-Y532 HydrophobicContact CE2-CE2 4.04Å; F383-Y532 HydrophobicContact CG-CD2 4.22Å; F383-Y532 HydrophobicContact CG-CE1 4.33Å; F383-Y532 AromaticContact CG-CE2 3.5Å; F383-Y532 HydrophobicContact CG-CE2 3.5Å; F383-Y532 AromaticContact CG-CZ 3.57Å; F383-Y532 AromaticContact CZ-CD2 3.81Å; F383-Y532 HydrophobicContact CZ-CD2 3.81Å; F383-Y532 AromaticContact CZ-CE2 3.9Å; F383-Y532 HydrophobicContact CZ-CE2 3.9Å; Y393-Y532 WeakPolarHBondContact OH-CB 3.1Å; C529-Y532 WeakPolarHBondContact O-CD1 3.3Å; C529-Y532 PolarHBondContact O-N 2.87Å; S530-Y532 PolarHBondContact O-N 3.45Å; Y532-M535 WeakPolarHBondContact O-CB 3.36Å; Y532-M535 PolarHBondContact O-N 2.96Å; Y532-L536 HydrophobicContact CD2-CD1 3.98Å; Y532-L536 HydrophobicContact CD2-CG 4.44Å; Y532-L536 HydrophobicContact CE2-CD1 4.12Å; Y532-L536 WeakPolarHBondContact O-CG 3.27Å; Y532-L536 PolarHBondContact O-N 2.97Å; Y532-H575 AromaticContact CE2-CD2 3.94Å; Y532-H575 AromaticContact CE2-NE2 3.37Å; Y532-H575 WeakPolarHBondContact CE2-NE2 3.22Å; Y532-H575 AromaticContact CZ-NE2 3.57Å; Y532-H575 PolarHBondContact OH-NE2 3.39Å
533	V	96.2	Very high	96.8	Very high	15 Å²	15	34.7 Å²	34.7	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-56.7	179.9	177.2	0	0	0	0	111.3	V295 S530 A531 M535 L536 M537 F576 L579	V295-V533 HydrophobicContact CG2-CG2 3.9Å; S530-V533 WeakPolarHBondContact O-CB 3.31Å; S530-V533 PolarHBondContact O-N 3.43Å; A531-V533 PolarHBondContact O-N 2.88Å; V533-M535 PolarHBondContact O-N 2.92Å; V533-L536 PolarHBondContact O-N 2.89Å; V533-M537 PolarHBondContact O-N 2.85Å; V533-F576 HydrophobicContact CG1-CD2 3.82Å; V533-F576 HydrophobicContact CG1-CE2 3.34Å; V533-F576 HydrophobicContact CG1-CZ 3.91Å; V533-L579 HydrophobicContact CG1-CD1 4.28Å; V533-L579 HydrophobicContact CG2-CD1 3.76Å
534	P	97.8	Very high	96.8	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-27	172.5	27.1	-35.8	0	0	0	112.3	W516 L520 L523 S530 A531 L536 M537 V538	W516-P534 HydrophobicContact CE3-CB 3.67Å; W516-P534 HydrophobicContact CZ3-CB 4.07Å; L520-P534 HydrophobicContact CB-CB 4.1Å; L520-P534 HydrophobicContact CB-CG 4.23Å; L520-P534 HydrophobicContact CD1-CG 4.3Å; L523-P534 HydrophobicContact CD1-CG 3.81Å; S530-P534 WeakPolarHBondContact O-CD 3.38Å; A531-P534 VanDerWaalsContact O-CD 3.24Å; A531-P534 WeakPolarHBondContact O-CD 3.26Å; A531-P534 VanDerWaalsContact O-CG 3.27Å; A531-P534 WeakPolarHBondContact O-CG 3.32Å; P534-L536 PolarHBondContact O-N 3.41Å; P534-M537 CarbonylContact O-C 3.6Å; P534-M537 PolarHBondContact O-N 2.9Å; P534-M537 VanDerWaalsContact O-N 3.17Å; P534-V538 VanDerWaalsContact O-CG2 3.29Å; P534-V538 WeakPolarHBondContact O-CG2 3.27Å; P534-V538 PolarHBondContact O-N 2.96Å
535	M	97.9	Very high	96.6	Very high	20 Å²	20	33.7 Å²	33.7	10%	0.099	18%	0.179	C	C	.	.	H	α-helix	trans	-58.9	-46.6	172.7	-177.8	-80.2	-64.9	0	0	111.5	I401 N402 V405 L520 A531 Y532 V533 M537 V538 A539	I401-M535 HydrophobicContact CG2-CE 4.48Å; I401-M535 HydrophobicContact CG2-CG 4.28Å; I401-M535 HydrophobicContact CG2-SD 4.26Å; N402-M535 WeakPolarHBondContact OD1-CG 3.38Å; V405-M535 HydrophobicContact CB-CG 4.49Å; V405-M535 HydrophobicContact CG2-CG 4.22Å; V405-M535 HydrophobicContact CG2-SD 4.47Å; L520-M535 HydrophobicContact CD1-CB 3.68Å; L520-M535 HydrophobicContact CD2-CB 4.34Å; A531-M535 WeakPolarHBondContact O-CB 3.2Å; A531-M535 PolarHBondContact O-N 3.47Å; A531-M535 VanDerWaalsContact O-N 3.11Å; Y532-M535 WeakPolarHBondContact O-CB 3.36Å; Y532-M535 PolarHBondContact O-N 2.96Å; V533-M535 PolarHBondContact O-N 2.92Å; M535-M537 VanDerWaalsContact C-N 3.3Å; M535-M537 PolarHBondContact O-N 2.93Å; M535-V538 PolarHBondContact O-N 3.3Å; M535-A539 WeakPolarHBondContact O-CB 3.42Å; M535-A539 PolarHBondContact O-N 3.35Å; M535-A539 HydrophobicContact SD-CB 4.08Å
536	L	96.9	Very high	96.5	Very high	16 Å²	16	32.1 Å²	32.1	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-41.5	174.3	-67.4	176.4	0	0	0	111.3	Y532 V533 P534 V538 F540 P572	Y532-L536 HydrophobicContact CD2-CD1 3.98Å; Y532-L536 HydrophobicContact CD2-CG 4.44Å; Y532-L536 HydrophobicContact CE2-CD1 4.12Å; Y532-L536 WeakPolarHBondContact O-CG 3.27Å; Y532-L536 PolarHBondContact O-N 2.97Å; V533-L536 PolarHBondContact O-N 2.89Å; P534-L536 PolarHBondContact O-N 3.41Å; L536-V538 PolarHBondContact O-N 3.06Å; L536-F540 HydrophobicContact CD2-CD2 4.1Å; L536-F540 HydrophobicContact CD2-CE2 3.69Å; L536-F540 PolarHBondContact O-N 3.1Å; L536-P572 HydrophobicContact CB-CB 4.15Å
537	M	97.3	Very high	96.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-10.9	176	-65.8	-66.2	-98.2	0	0	113.8	W516 V533 P534 M535 P541 P572 Y573 F576 Y618	W516-M537 HydrophobicContact CB-CB 4.47Å; W516-M537 HydrophobicContact CD2-CB 3.63Å; W516-M537 HydrophobicContact CD2-CG 4.2Å; W516-M537 HydrophobicContact CE3-CB 3.84Å; W516-M537 HydrophobicContact CE3-CG 4.22Å; W516-M537 HydrophobicContact CG-CB 3.93Å; W516-M537 HydrophobicContact CH2-CE 4.2Å; W516-M537 HydrophobicContact CH2-CG 4.18Å; W516-M537 HydrophobicContact CZ2-CB 4.44Å; W516-M537 HydrophobicContact CZ2-CE 3.48Å; W516-M537 VanDerWaalsContact CZ2-CE 3.48Å; W516-M537 HydrophobicContact CZ2-CG 4.14Å; W516-M537 HydrophobicContact CZ3-CB 4.33Å; W516-M537 HydrophobicContact CZ3-CG 4.21Å; V533-M537 PolarHBondContact O-N 2.85Å; P534-M537 CarbonylContact O-C 3.6Å; P534-M537 PolarHBondContact O-N 2.9Å; P534-M537 VanDerWaalsContact O-N 3.17Å; M535-M537 VanDerWaalsContact C-N 3.3Å; M535-M537 PolarHBondContact O-N 2.93Å; M537-P541 WeakPolarHBondContact O-CD 3.29Å; M537-P541 WeakPolarHBondContact O-CG 3.25Å; M537-P572 HydrophobicContact SD-CB 3.8Å; M537-Y573 HydrophobicContact CE-CE2 4.24Å; M537-F576 HydrophobicContact CE-CD2 3.96Å; M537-F576 HydrophobicContact CE-CE2 4.23Å; M537-F576 HydrophobicContact CG-CD2 3.88Å; M537-F576 HydrophobicContact CG-CE2 3.91Å; M537-F576 HydrophobicContact SD-CD2 3.97Å; M537-F576 HydrophobicContact SD-CE2 4.48Å; M537-Y618 VanDerWaalsContact O-CE2 3.3Å; M537-Y618 WeakPolarHBondContact O-CE2 3.46Å; M537-Y618 PolarHBondContact O-OH 3.26Å
538	V	98.4	Very high	96.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-101.6	-50.8	173.4	175.1	0	0	0	0	110.8	V405 T409 L513 W516 C517 L520 P534 M535 L536 L542	V405-V538 HydrophobicContact CG1-CB 3.88Å; V405-V538 HydrophobicContact CG1-CG1 3.47Å; V405-V538 VanDerWaalsContact CG1-CG1 3.47Å; T409-V538 WeakPolarHBondContact OG1-CG1 3.45Å; L513-V538 HydrophobicContact CD1-CB 4.46Å; L513-V538 HydrophobicContact CD1-CG1 3.86Å; W516-V538 HydrophobicContact CB-CG2 3.64Å; C517-V538 HydrophobicContact CB-CG2 4.24Å; L520-V538 HydrophobicContact CD2-CB 4.48Å; L520-V538 HydrophobicContact CD2-CG2 4.34Å; P534-V538 VanDerWaalsContact O-CG2 3.29Å; P534-V538 WeakPolarHBondContact O-CG2 3.27Å; P534-V538 PolarHBondContact O-N 2.96Å; M535-V538 PolarHBondContact O-N 3.3Å; L536-V538 PolarHBondContact O-N 3.06Å; V538-L542 WeakPolarHBondContact O-CB 3.42Å; V538-L542 PolarHBondContact O-N 2.93Å
539	A	98.2	Very high	96.2	Very high	20 Å²	20	27.5 Å²	27.5	17%	0.165	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-50.7	-172	0	0	0	0	0	112.3	V405 M535 L542 V543	V405-A539 HydrophobicContact CG1-CB 4.08Å; V405-A539 HydrophobicContact CG2-CB 4.2Å; M535-A539 WeakPolarHBondContact O-CB 3.42Å; M535-A539 PolarHBondContact O-N 3.35Å; M535-A539 HydrophobicContact SD-CB 4.08Å; A539-L542 PolarHBondContact O-N 2.87Å; A539-V543 WeakPolarHBondContact O-CB 3.27Å; A539-V543 VanDerWaalsContact O-CG2 3.3Å; A539-V543 WeakPolarHBondContact O-CG2 3.21Å; A539-V543 PolarHBondContact O-N 3.34Å
540	F	97.8	Very high	95.8	Very high	78 Å²	78	35.1 Å²	35.1	34%	0.342	18%	0.183	S	C	.	.	H	α-helix	trans	-65.9	-47.9	-177.2	-81.9	-98.7	0	0	0	112.5	L536 L542 V543 T544 L571 P572	L536-F540 HydrophobicContact CD2-CD2 4.1Å; L536-F540 HydrophobicContact CD2-CE2 3.69Å; L536-F540 PolarHBondContact O-N 3.1Å; F540-L542 PolarHBondContact O-N 3.49Å; F540-V543 PolarHBondContact O-N 2.98Å; F540-T544 VanDerWaalsContact O-CB 3.31Å; F540-T544 WeakPolarHBondContact O-CB 3.17Å; F540-T544 PolarHBondContact O-N 3.03Å; F540-T544 PolarHBondContact O-OG1 3.44Å; F540-L571 HydrophobicContact CD1-CB 4.37Å; F540-L571 HydrophobicContact CE1-CB 4.03Å; F540-L571 HydrophobicContact CE1-CD2 3.82Å; F540-L571 HydrophobicContact CE1-CG 4.46Å; F540-L571 HydrophobicContact CE2-CD2 3.74Å; F540-L571 HydrophobicContact CZ-CB 4.46Å; F540-L571 HydrophobicContact CZ-CD2 3.37Å; F540-L571 HydrophobicContact CZ-CG 4.43Å; F540-P572 HydrophobicContact CB-CG 3.82Å; F540-P572 HydrophobicContact CG-CG 4.23Å
541	P	97.4	Very high	95.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-39.3	175.1	-26.5	38.5	0	0	0	112.8	F509 M537 T544 R545 L569 Y618	F509-P541 HydrophobicContact CE2-CB 4.02Å; F509-P541 HydrophobicContact CZ-CB 4.08Å; F509-P541 WeakPolarHBondContact CZ-O 3.29Å; M537-P541 WeakPolarHBondContact O-CD 3.29Å; M537-P541 WeakPolarHBondContact O-CG 3.25Å; P541-T544 PolarHBondContact O-N 2.84Å; P541-R545 WeakPolarHBondContact O-CB 3.23Å; P541-R545 PolarHBondContact O-N 2.84Å; P541-L569 HydrophobicContact CB-CD2 3.94Å; P541-L569 HydrophobicContact CG-CD2 3.56Å; P541-Y618 HydrophobicContact CB-CD1 4.2Å; P541-Y618 HydrophobicContact CB-CE1 3.61Å; P541-Y618 HydrophobicContact CB-CE2 4.18Å; P541-Y618 HydrophobicContact CG-CD2 4.2Å; P541-Y618 HydrophobicContact CG-CE1 4.05Å; P541-Y618 HydrophobicContact CG-CE2 3.66Å
542	L	97.6	Very high	95	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-49.1	177.1	177.9	58.6	0	0	0	111.7	A408 Y412 L513 V538 A539 F540 T544 R545 L546	A408-L542 HydrophobicContact CB-CD2 4.21Å; Y412-L542 HydrophobicContact CD1-CD1 4.09Å; Y412-L542 HydrophobicContact CD2-CD1 4.22Å; Y412-L542 HydrophobicContact CG-CD1 3.88Å; L513-L542 HydrophobicContact CD1-CB 4.14Å; L513-L542 HydrophobicContact CD2-CD1 4.1Å; V538-L542 WeakPolarHBondContact O-CB 3.42Å; V538-L542 PolarHBondContact O-N 2.93Å; A539-L542 PolarHBondContact O-N 2.87Å; F540-L542 PolarHBondContact O-N 3.49Å; L542-T544 VanDerWaalsContact C-N 3.33Å; L542-T544 PolarHBondContact O-N 2.91Å; L542-R545 WeakPolarHBondContact O-CB 3.2Å; L542-R545 PolarHBondContact O-N 2.87Å; L542-L546 HydrophobicContact CD1-CD1 4.28Å; L542-L546 HydrophobicContact CD1-CG 4.26Å; L542-L546 HydrophobicContact CG-CD1 4.26Å; L542-L546 WeakPolarHBondContact O-CG 3.22Å; L542-L546 PolarHBondContact O-N 2.83Å
543	V	97.6	Very high	94.4	Very high	82 Å²	82	43 Å²	43	50%	0.497	22%	0.216	S	C	.	.	H	α-helix	trans	-59.3	-47.1	176.7	170.4	0	0	0	0	110.4	A539 F540 R545 L546 L547	A539-V543 WeakPolarHBondContact O-CB 3.27Å; A539-V543 VanDerWaalsContact O-CG2 3.3Å; A539-V543 WeakPolarHBondContact O-CG2 3.21Å; A539-V543 PolarHBondContact O-N 3.34Å; F540-V543 PolarHBondContact O-N 2.98Å; V543-R545 VanDerWaalsContact C-N 3.28Å; V543-R545 PolarHBondContact O-N 2.69Å; V543-L546 PolarHBondContact O-N 2.79Å; V543-L547 HydrophobicContact CG1-CD1 3.96Å; V543-L547 HydrophobicContact CG1-CG 4.42Å; V543-L547 WeakPolarHBondContact O-CG 3.24Å; V543-L547 PolarHBondContact O-N 2.72Å
544	T	96.1	Very high	93.8	Very high	13 Å²	13	48.1 Å²	48.1	8%	0.08	24%	0.239	C	C	.	.	H	α-helix	trans	-56.8	-43.6	176.8	-58.7	0	0	0	0	111.3	F540 P541 L542 L547 L548 Y565 G568	F540-T544 VanDerWaalsContact O-CB 3.31Å; F540-T544 WeakPolarHBondContact O-CB 3.17Å; F540-T544 PolarHBondContact O-N 3.03Å; F540-T544 PolarHBondContact O-OG1 3.44Å; P541-T544 PolarHBondContact O-N 2.84Å; L542-T544 VanDerWaalsContact C-N 3.33Å; L542-T544 PolarHBondContact O-N 2.91Å; T544-L547 PolarHBondContact O-N 3.38Å; T544-L548 HydrophobicContact CG2-CD1 3.75Å; T544-L548 HydrophobicContact CG2-CG 4.43Å; T544-L548 WeakPolarHBondContact O-CB 3.23Å; T544-L548 VanDerWaalsContact O-CG 3.31Å; T544-L548 WeakPolarHBondContact O-CG 3.47Å; T544-L548 PolarHBondContact O-N 2.92Å; T544-Y565 HydrophobicContact CG2-CD2 4.39Å; T544-G568 VanDerWaalsContact OG1-CA 3.26Å; T544-G568 WeakPolarHBondContact OG1-CA 3.41Å
545	R	94.7	Very high	93.1	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-46.9	177.3	-175.5	68.5	-174.1	157.4	6.8	111.9	Y412 D506 F509 P541 L542 V543 L547 L548 T549 F552 Y561	Y412-R545 HydrophobicContact CE2-CG 4.49Å; D506-R545 IonicContact OD1-CZ 3.16Å; D506-R545 VanDerWaalsContact OD1-CZ 3.26Å; D506-R545 IonicContact OD1-NE 3.88Å; D506-R545 IonicContact OD1-NH2 3.4Å; D506-R545 PolarHBondContact OD1-NH2 2.91Å; D506-R545 IonicContact OD2-NH2 3.69Å; F509-R545 HydrophobicContact CD1-CG 4.03Å; F509-R545 HydrophobicContact CE1-CB 3.62Å; F509-R545 HydrophobicContact CE1-CG 3.47Å; F509-R545 VanDerWaalsContact CE1-CG 3.47Å; F509-R545 HydrophobicContact CE2-CB 4.32Å; F509-R545 HydrophobicContact CZ-CB 3.49Å; F509-R545 VanDerWaalsContact CZ-CB 3.49Å; F509-R545 HydrophobicContact CZ-CG 3.89Å; P541-R545 WeakPolarHBondContact O-CB 3.23Å; P541-R545 PolarHBondContact O-N 2.84Å; L542-R545 WeakPolarHBondContact O-CB 3.2Å; L542-R545 PolarHBondContact O-N 2.87Å; V543-R545 VanDerWaalsContact C-N 3.28Å; V543-R545 PolarHBondContact O-N 2.69Å; R545-L547 VanDerWaalsContact C-N 3.32Å; R545-L547 PolarHBondContact O-N 3.39Å; R545-L548 PolarHBondContact O-N 2.96Å; R545-T549 PolarHBondContact O-N 3.35Å; R545-T549 PolarHBondContact O-OG1 3Å; R545-F552 VanDerWaalsContact NH1-CD1 3.31Å; R545-F552 VanDerWaalsContact NH2-CD1 3.32Å; R545-Y561 PolarHBondContact NH1-OH 3.48Å
546	L	94.6	Very high	92.4	Very high	99 Å²	99	53.2 Å²	53.2	52%	0.518	26%	0.256	S	S	.	.	H	α-helix	trans	-61.8	-41.4	-179.6	-67.8	173.9	0	0	0	111.5	Y412 L542 V543	Y412-L546 HydrophobicContact CD2-CD2 4.02Å; Y412-L546 HydrophobicContact CE2-CD2 4.37Å; L542-L546 HydrophobicContact CD1-CD1 4.28Å; L542-L546 HydrophobicContact CD1-CG 4.26Å; L542-L546 HydrophobicContact CG-CD1 4.26Å; L542-L546 WeakPolarHBondContact O-CG 3.22Å; L542-L546 PolarHBondContact O-N 2.83Å; V543-L546 PolarHBondContact O-N 2.79Å
547	L	95.1	Very high	91.8	Very high	136 Å²	136	52.5 Å²	52.5	71%	0.712	25%	0.253	S	S	*	.	H	α-helix	trans	-67.4	-40.2	177.4	-66.3	175.2	0	0	0	112.6	V543 T544 R545	V543-L547 HydrophobicContact CG1-CD1 3.96Å; V543-L547 HydrophobicContact CG1-CG 4.42Å; V543-L547 WeakPolarHBondContact O-CG 3.24Å; V543-L547 PolarHBondContact O-N 2.72Å; T544-L547 PolarHBondContact O-N 3.38Å; R545-L547 VanDerWaalsContact C-N 3.32Å; R545-L547 PolarHBondContact O-N 3.39Å
548	L	93.7	Very high	91.4	Very high	20 Å²	20	53.2 Å²	53.2	11%	0.105	26%	0.258	C	S	.	.	H	α-helix	trans	-93	0.2	-174.9	-58.6	179.6	0	0	0	114.4	T544 R545 K550 E551 F552 Y561 L564	T544-L548 HydrophobicContact CG2-CD1 3.75Å; T544-L548 HydrophobicContact CG2-CG 4.43Å; T544-L548 WeakPolarHBondContact O-CB 3.23Å; T544-L548 VanDerWaalsContact O-CG 3.31Å; T544-L548 WeakPolarHBondContact O-CG 3.47Å; T544-L548 PolarHBondContact O-N 2.92Å; R545-L548 PolarHBondContact O-N 2.96Å; L548-K550 VanDerWaalsContact C-N 3.31Å; L548-K550 PolarHBondContact O-N 3.18Å; L548-E551 PolarHBondContact O-N 3.21Å; L548-F552 WeakPolarHBondContact O-CB 3.34Å; L548-F552 PolarHBondContact O-N 2.8Å; L548-Y561 HydrophobicContact CB-CD2 3.99Å; L548-Y561 HydrophobicContact CB-CE2 3.78Å; L548-Y561 HydrophobicContact CD1-CD2 4.17Å; L548-Y561 HydrophobicContact CD1-CE2 4.09Å; L548-L564 HydrophobicContact CD1-CB 3.87Å; L548-L564 HydrophobicContact CD2-CB 3.85Å; L548-L564 HydrophobicContact CD2-CD1 3.85Å; L548-L564 HydrophobicContact CD2-CG 4.49Å
549	T	89	Confident	90.9	Very high	32 Å²	32	58 Å²	58	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-56	-42.8	-174.7	-70.3	0	0	0	0	112.6	R545 K553	R545-T549 PolarHBondContact O-N 3.35Å; R545-T549 PolarHBondContact O-OG1 3Å; T549-K553 HydrophobicContact CG2-CD 4.07Å; T549-K553 WeakPolarHBondContact O-CB 3.29Å; T549-K553 VanDerWaalsContact O-CG 3.3Å; T549-K553 WeakPolarHBondContact O-CG 3.23Å; T549-K553 PolarHBondContact O-N 3.41Å; T549-K553 VanDerWaalsContact O-N 3.09Å
550	K	87	Confident	90.5	Very high	169 Å²	169	63 Å²	63	74%	0.735	30%	0.301	S	S	*	.	H	α-helix	trans	-67	-49.8	179.7	-69.2	-177.8	-179.1	176.8	0	111.1	L548 F552 K553 H554	L548-K550 VanDerWaalsContact C-N 3.31Å; L548-K550 PolarHBondContact O-N 3.18Å; K550-F552 VanDerWaalsContact C-N 3.32Å; K550-F552 PolarHBondContact O-N 3.02Å; K550-K553 PolarHBondContact O-N 3.42Å; K550-H554 PolarHBondContact O-CD2 3.48Å; K550-H554 PolarHBondContact O-N 2.88Å
551	E	87.1	Confident	90.3	Very high	41 Å²	41	59.4 Å²	59.4	19%	0.192	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-45	-180	-172.8	69.7	179	0	0	111.1	L548 H554 R555	L548-E551 PolarHBondContact O-N 3.21Å; E551-H554 PolarHBondContact O-N 2.93Å; E551-R555 PolarHBondContact O-N 2.76Å; E551-R555 WeakPolarHBondContact OE1-CD 3.12Å; E551-R555 IonicContact OE1-NE 2.61Å; E551-R555 IonicContact OE1-NH1 2.74Å
552	F	87.9	Confident	90.1	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-43.6	178.4	-171.5	-110.2	0	0	0	112.7	V502 D506 R545 L548 K550 H554 G556 Y561 H621 L625	V502-F552 HydrophobicContact CG1-CE1 3.76Å; V502-F552 HydrophobicContact CG1-CE2 4.45Å; V502-F552 HydrophobicContact CG1-CZ 3.73Å; D506-F552 HydrophobicContact CB-CE1 4.12Å; R545-F552 VanDerWaalsContact NH1-CD1 3.31Å; R545-F552 VanDerWaalsContact NH2-CD1 3.32Å; L548-F552 WeakPolarHBondContact O-CB 3.34Å; L548-F552 PolarHBondContact O-N 2.8Å; K550-F552 VanDerWaalsContact C-N 3.32Å; K550-F552 PolarHBondContact O-N 3.02Å; F552-H554 VanDerWaalsContact C-N 3.32Å; F552-H554 PolarHBondContact O-N 3.43Å; F552-G556 VanDerWaalsContact O-CA 3.26Å; F552-G556 WeakPolarHBondContact O-CA 2.94Å; F552-G556 PolarHBondContact O-N 3.19Å; F552-Y561 HydrophobicContact CB-CD2 3.86Å; F552-Y561 HydrophobicContact CB-CE2 3.55Å; F552-Y561 AromaticContact CD2-CD1 3.78Å; F552-Y561 HydrophobicContact CD2-CD1 3.78Å; F552-Y561 AromaticContact CD2-CD2 3.9Å; F552-Y561 HydrophobicContact CD2-CD2 3.9Å; F552-Y561 AromaticContact CD2-CE1 3.36Å; F552-Y561 HydrophobicContact CD2-CE1 3.36Å; F552-Y561 AromaticContact CD2-CE2 3.49Å; F552-Y561 HydrophobicContact CD2-CE2 3.49Å; F552-Y561 VanDerWaalsContact CD2-CE2 3.49Å; F552-Y561 HydrophobicContact CD2-CG 4.03Å; F552-Y561 AromaticContact CD2-CZ 3.19Å; F552-Y561 HydrophobicContact CE2-CD1 4.24Å; F552-Y561 AromaticContact CE2-CE1 3.61Å; F552-Y561 HydrophobicContact CE2-CE1 3.61Å; F552-Y561 HydrophobicContact CE2-CE2 4.46Å; F552-Y561 AromaticContact CE2-CZ 3.73Å; F552-Y561 HydrophobicContact CG-CD2 4.33Å; F552-Y561 HydrophobicContact CG-CE1 4.41Å; F552-Y561 AromaticContact CG-CE2 3.8Å; F552-Y561 HydrophobicContact CG-CE2 3.8Å; F552-Y561 AromaticContact CG-CZ 3.83Å; F552-H621 AromaticContact CE2-CE1 3.9Å; F552-H621 AromaticContact CE2-NE2 3.85Å; F552-H621 AromaticContact CZ-CE1 3.67Å; F552-L625 HydrophobicContact CE2-CD1 3.99Å; F552-L625 HydrophobicContact CE2-CD2 4.33Å; F552-L625 HydrophobicContact CZ-CD1 4.33Å; F552-L625 HydrophobicContact CZ-CD2 4.17Å
553	K	84.1	Confident	89.9	Confident	137 Å²	137	60.6 Å²	60.6	60%	0.596	30%	0.3	S	S	*	.	H	α-helix	trans	-65.4	-34.1	178.3	-76.8	180	178.8	-177.7	0	112.8	T549 K550	T549-K553 HydrophobicContact CG2-CD 4.07Å; T549-K553 WeakPolarHBondContact O-CB 3.29Å; T549-K553 VanDerWaalsContact O-CG 3.3Å; T549-K553 WeakPolarHBondContact O-CG 3.23Å; T549-K553 PolarHBondContact O-N 3.41Å; T549-K553 VanDerWaalsContact O-N 3.09Å; K550-K553 PolarHBondContact O-N 3.42Å
554	H	83.6	Confident	89.8	Confident	124 Å²	124	60 Å²	60	57%	0.574	29%	0.294	S	S	*	.	H	α-helix	trans	-86.8	-34.3	-178.2	-72.9	-62.4	0	0	0	113.7	V46 K550 E551 F552	V46-H554 WeakPolarHBondContact CG1-O 3.42Å; K550-H554 PolarHBondContact O-CD2 3.48Å; K550-H554 PolarHBondContact O-N 2.88Å; E551-H554 PolarHBondContact O-N 2.93Å; F552-H554 VanDerWaalsContact C-N 3.32Å; F552-H554 PolarHBondContact O-N 3.43Å
555	R	82.7	Confident	89.8	Confident	130 Å²	130	59.4 Å²	59.4	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-121.6	-8.5	-171.3	-62.7	-168.8	176.1	-175.3	-6.5	114.5	F49 E551	F49-R555 WeakPolarHBondContact CB-O 3.47Å; F49-R555 WeakPolarHBondContact CD2-O 3.45Å; F49-R555 PolarHBondContact N-O 3.35Å; E551-R555 PolarHBondContact O-N 2.76Å; E551-R555 WeakPolarHBondContact OE1-CD 3.12Å; E551-R555 IonicContact OE1-NE 2.61Å; E551-R555 IonicContact OE1-NH1 2.74Å
556	G	84.8	Confident	89.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	65	-142.6	-177.3	0	0	0	0	0	111.9	L48 F552 S558	L48-G556 VanDerWaalsContact CD2-N 3.33Å; F552-G556 VanDerWaalsContact O-CA 3.26Å; F552-G556 WeakPolarHBondContact O-CA 2.94Å; F552-G556 PolarHBondContact O-N 3.19Å; G556-S558 PolarHBondContact O-N 2.86Å
557	A	84.3	Confident	90	Very high	2 Å²	2	60.7 Å²	60.7	2%	0.017	30%	0.297	C	S	.	.	S	Bend	trans	-81.5	52.7	-176.5	0	0	0	0	0	112.8	F49 L51 L625	F49-A557 WeakPolarHBondContact O-CB 3.48Å; F49-A557 PolarHBondContact O-N 3.41Å; L51-A557 HydrophobicContact CD1-CB 4.22Å; L51-A557 WeakPolarHBondContact CD2-O 3.48Å; L51-A557 HydrophobicContact CG-CB 3.96Å; A557-L625 HydrophobicContact CB-CB 3.97Å; A557-L625 HydrophobicContact CB-CD1 3.88Å; A557-L625 HydrophobicContact CB-CD2 4.24Å; A557-L625 HydrophobicContact CB-CG 4.26Å
558	S	88	Confident	90	Very high	15 Å²	15	55 Å²	55	11%	0.105	27%	0.272	C	S	.	.			trans	-65.4	154.1	174.4	72.4	0	0	0	0	111.3	G556 K560 Y561 S562	G556-S558 PolarHBondContact O-N 2.86Å; S558-K560 PolarHBondContact O-N 2.94Å; S558-Y561 PolarHBondContact O-N 2.91Å; S558-Y561 VanDerWaalsContact O-N 3.09Å; S558-Y561 PolarHBondContact OG-N 3.41Å; S558-S562 PolarHBondContact O-N 2.93Å; S558-S562 PolarHBondContact O-OG 3Å
559	L	87.9	Confident	90.1	Very high	101 Å²	101	54.1 Å²	54.1	53%	0.529	27%	0.267	S	S	.	.	H	α-helix	trans	-55.6	-39.5	177.5	-177.2	62.4	0	0	0	112	L55 L59 S562 G563	L55-L559 HydrophobicContact CD1-CD1 4.39Å; L55-L559 HydrophobicContact CD2-CD1 4.46Å; L59-L559 HydrophobicContact CD1-CD1 3.62Å; L59-L559 HydrophobicContact CD2-CD1 3.92Å; L59-L559 HydrophobicContact CG-CD1 4.31Å; L559-S562 PolarHBondContact O-N 2.86Å; L559-G563 PolarHBondContact O-N 3.15Å
560	K	90.4	Very high	90.5	Very high	126 Å²	126	53.7 Å²	53.7	55%	0.548	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-48.1	175.7	-175.8	-175.8	176.4	-170.9	0	111.8	S558 G563 L564	S558-K560 PolarHBondContact O-N 2.94Å; K560-G563 PolarHBondContact O-N 3.38Å; K560-L564 HydrophobicContact CG-CD1 4.1Å; K560-L564 WeakPolarHBondContact O-CG 3.2Å; K560-L564 PolarHBondContact O-N 3.37Å
561	Y	92.8	Very high	90.8	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-48.7	176.4	168.9	-95.4	0	0	0	110.9	R545 L548 F552 S558 G563 L564 Y565 H621	R545-Y561 PolarHBondContact NH1-OH 3.48Å; L548-Y561 HydrophobicContact CB-CD2 3.99Å; L548-Y561 HydrophobicContact CB-CE2 3.78Å; L548-Y561 HydrophobicContact CD1-CD2 4.17Å; L548-Y561 HydrophobicContact CD1-CE2 4.09Å; F552-Y561 HydrophobicContact CB-CD2 3.86Å; F552-Y561 HydrophobicContact CB-CE2 3.55Å; F552-Y561 AromaticContact CD2-CD1 3.78Å; F552-Y561 HydrophobicContact CD2-CD1 3.78Å; F552-Y561 AromaticContact CD2-CD2 3.9Å; F552-Y561 HydrophobicContact CD2-CD2 3.9Å; F552-Y561 AromaticContact CD2-CE1 3.36Å; F552-Y561 HydrophobicContact CD2-CE1 3.36Å; F552-Y561 AromaticContact CD2-CE2 3.49Å; F552-Y561 HydrophobicContact CD2-CE2 3.49Å; F552-Y561 VanDerWaalsContact CD2-CE2 3.49Å; F552-Y561 HydrophobicContact CD2-CG 4.03Å; F552-Y561 AromaticContact CD2-CZ 3.19Å; F552-Y561 HydrophobicContact CE2-CD1 4.24Å; F552-Y561 AromaticContact CE2-CE1 3.61Å; F552-Y561 HydrophobicContact CE2-CE1 3.61Å; F552-Y561 HydrophobicContact CE2-CE2 4.46Å; F552-Y561 AromaticContact CE2-CZ 3.73Å; F552-Y561 HydrophobicContact CG-CD2 4.33Å; F552-Y561 HydrophobicContact CG-CE1 4.41Å; F552-Y561 AromaticContact CG-CE2 3.8Å; F552-Y561 HydrophobicContact CG-CE2 3.8Å; F552-Y561 AromaticContact CG-CZ 3.83Å; S558-Y561 PolarHBondContact O-N 2.91Å; S558-Y561 VanDerWaalsContact O-N 3.09Å; S558-Y561 PolarHBondContact OG-N 3.41Å; Y561-G563 PolarHBondContact O-N 2.91Å; Y561-L564 PolarHBondContact O-N 3.4Å; Y561-Y565 VanDerWaalsContact O-CB 3.24Å; Y561-Y565 WeakPolarHBondContact O-CB 3.49Å; Y561-Y565 PolarHBondContact O-N 3.02Å; Y561-H621 AromaticContact CE1-NE2 3.59Å; Y561-H621 AromaticContact CZ-NE2 3.79Å; Y561-H621 PolarHBondContact OH-NE2 3.12Å; Y561-H621 VanDerWaalsContact OH-NE2 3.09Å
562	S	93.3	Very high	91.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-42.4	-178.5	-56.3	0	0	0	0	112.3	S558 L559 Y565 L566	S558-S562 PolarHBondContact O-N 2.93Å; S558-S562 PolarHBondContact O-OG 3Å; L559-S562 PolarHBondContact O-N 2.86Å; S562-Y565 PolarHBondContact O-N 3.4Å; S562-L566 VanDerWaalsContact O-CG 3.29Å; S562-L566 WeakPolarHBondContact O-CG 3.4Å; S562-L566 PolarHBondContact O-N 3.46Å
563	G	94	Very high	91.6	Very high	36 Å²	36	46.8 Å²	46.8	37%	0.371	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-46.4	176.2	0	0	0	0	0	112.8	L559 K560 Y561 Y565 L566 L567	L559-G563 PolarHBondContact O-N 3.15Å; K560-G563 PolarHBondContact O-N 3.38Å; Y561-G563 PolarHBondContact O-N 2.91Å; G563-Y565 VanDerWaalsContact C-N 3.34Å; G563-Y565 PolarHBondContact O-N 2.89Å; G563-L566 PolarHBondContact O-N 3.35Å; G563-L567 WeakPolarHBondContact O-CB 3.47Å; G563-L567 PolarHBondContact O-N 3.36Å
564	L	94.9	Very high	92.2	Very high	70 Å²	70	41.1 Å²	41.1	37%	0.366	22%	0.216	S	C	.	.	H	α-helix	trans	-67.2	-35.2	177.4	-68.1	173.9	0	0	0	112.5	L548 K560 Y561 L567 G568	L548-L564 HydrophobicContact CD1-CB 3.87Å; L548-L564 HydrophobicContact CD2-CB 3.85Å; L548-L564 HydrophobicContact CD2-CD1 3.85Å; L548-L564 HydrophobicContact CD2-CG 4.49Å; K560-L564 HydrophobicContact CG-CD1 4.1Å; K560-L564 WeakPolarHBondContact O-CG 3.2Å; K560-L564 PolarHBondContact O-N 3.37Å; Y561-L564 PolarHBondContact O-N 3.4Å; L564-L567 PolarHBondContact O-N 3.39Å; L564-G568 PolarHBondContact O-N 2.85Å
565	Y	95.8	Very high	92.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.5	-50.4	174.9	178.1	-92.1	0	0	0	110.6	F509 T544 Y561 S562 G563 L567 G568 L569 Y618 F622	F509-Y565 AromaticContact CD2-CE2 3.81Å; F509-Y565 HydrophobicContact CD2-CE2 3.81Å; F509-Y565 WeakPolarHBondContact CD2-OH 3.48Å; F509-Y565 AromaticContact CE2-CE2 3.87Å; F509-Y565 HydrophobicContact CE2-CE2 3.87Å; T544-Y565 HydrophobicContact CG2-CD2 4.39Å; Y561-Y565 VanDerWaalsContact O-CB 3.24Å; Y561-Y565 WeakPolarHBondContact O-CB 3.49Å; Y561-Y565 PolarHBondContact O-N 3.02Å; S562-Y565 PolarHBondContact O-N 3.4Å; G563-Y565 VanDerWaalsContact C-N 3.34Å; G563-Y565 PolarHBondContact O-N 2.89Å; Y565-L567 VanDerWaalsContact C-N 3.34Å; Y565-L567 PolarHBondContact O-N 2.96Å; Y565-G568 PolarHBondContact O-N 2.99Å; Y565-L569 HydrophobicContact CD1-CD1 3.93Å; Y565-L569 HydrophobicContact CD1-CG 4.47Å; Y565-L569 HydrophobicContact CE1-CD1 3.39Å; Y565-L569 HydrophobicContact CE1-CG 4.23Å; Y565-L569 WeakPolarHBondContact O-CG 3.22Å; Y565-L569 PolarHBondContact O-N 2.83Å; Y565-Y618 PolarHBondContact OH-O 2.68Å; Y565-Y618 VanDerWaalsContact OH-O 3.09Å; Y565-F622 AromaticContact CD1-CE2 3.7Å; Y565-F622 HydrophobicContact CD1-CE2 3.7Å; Y565-F622 AromaticContact CD1-CZ 3.57Å; Y565-F622 HydrophobicContact CD1-CZ 3.57Å; Y565-F622 AromaticContact CE1-CE2 3.6Å; Y565-F622 HydrophobicContact CE1-CE2 3.6Å; Y565-F622 AromaticContact CE1-CZ 3.93Å; Y565-F622 HydrophobicContact CE1-CZ 3.93Å; Y565-F622 HydrophobicContact CG-CZ 4.42Å
566	L	96.6	Very high	93.2	Very high	9 Å²	9	30 Å²	30	5%	0.047	17%	0.17	C	C	.	.	H	α-helix	trans	-63.6	-38.6	177.5	-67.6	173.6	0	0	0	112.1	L59 L60 F63 S562 G563 G568 L569 A570 F619 F622	L59-L566 HydrophobicContact CB-CD1 4.43Å; L60-L566 HydrophobicContact CD2-CD1 4.29Å; L60-L566 HydrophobicContact CD2-CD2 3.77Å; F63-L566 HydrophobicContact CB-CD1 4.17Å; F63-L566 HydrophobicContact CD1-CD2 4.09Å; F63-L566 HydrophobicContact CD2-CB 3.87Å; F63-L566 HydrophobicContact CE1-CD2 4.33Å; F63-L566 HydrophobicContact CE2-CB 4.04Å; F63-L566 WeakPolarHBondContact CE2-O 3.36Å; F63-L566 HydrophobicContact CG-CB 4.27Å; F63-L566 HydrophobicContact CG-CD1 4.43Å; F63-L566 HydrophobicContact CG-CD2 4.18Å; F63-L566 WeakPolarHBondContact CZ-O 3.48Å; S562-L566 VanDerWaalsContact O-CG 3.29Å; S562-L566 WeakPolarHBondContact O-CG 3.4Å; S562-L566 PolarHBondContact O-N 3.46Å; G563-L566 PolarHBondContact O-N 3.35Å; L566-G568 VanDerWaalsContact C-N 3.3Å; L566-G568 PolarHBondContact O-N 2.98Å; L566-L569 CarbonylContact O-C 3.54Å; L566-L569 WeakPolarHBondContact O-CA 3.49Å; L566-L569 WeakPolarHBondContact O-CB 3.42Å; L566-L569 PolarHBondContact O-N 3.47Å; L566-A570 PolarHBondContact O-N 2.91Å; L566-A570 VanDerWaalsContact O-N 3.11Å; L566-F619 HydrophobicContact CD2-CE1 3.94Å; L566-F622 HydrophobicContact CD2-CE2 4.07Å; L566-F622 HydrophobicContact CD2-CZ 4.37Å; L566-F622 HydrophobicContact CG-CZ 4.44Å
567	L	96.1	Very high	93.6	Very high	122 Å²	122	31 Å²	31	64%	0.639	18%	0.175	S	C	*	.	H	α-helix	trans	-58.7	-42.4	174.1	-178.7	62.7	0	0	0	111.9	G563 L564 Y565 L569 A570	G563-L567 WeakPolarHBondContact O-CB 3.47Å; G563-L567 PolarHBondContact O-N 3.36Å; L564-L567 PolarHBondContact O-N 3.39Å; Y565-L567 VanDerWaalsContact C-N 3.34Å; Y565-L567 PolarHBondContact O-N 2.96Å; L567-L569 PolarHBondContact O-N 3.27Å; L567-A570 VanDerWaalsContact O-CB 3.27Å; L567-A570 WeakPolarHBondContact O-CB 3.48Å; L567-A570 PolarHBondContact O-N 3.41Å; L567-A570 VanDerWaalsContact O-N 3.15Å
568	G	96.2	Very high	94	Very high	17 Å²	17	31.1 Å²	31.1	18%	0.175	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-22.2	175.5	0	0	0	0	0	114.4	T544 L564 Y565 L566	T544-G568 VanDerWaalsContact OG1-CA 3.26Å; T544-G568 WeakPolarHBondContact OG1-CA 3.41Å; L564-G568 PolarHBondContact O-N 2.85Å; Y565-G568 PolarHBondContact O-N 2.99Å; L566-G568 VanDerWaalsContact C-N 3.3Å; L566-G568 PolarHBondContact O-N 2.98Å
569	L	96.4	Very high	94.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-89	-10	174.1	-61.6	-174.2	0	0	0	113.5	F63 P541 Y565 L566 L567 L571 P572 Y573 F619	F63-L569 HydrophobicContact CZ-CB 4.17Å; P541-L569 HydrophobicContact CB-CD2 3.94Å; P541-L569 HydrophobicContact CG-CD2 3.56Å; Y565-L569 HydrophobicContact CD1-CD1 3.93Å; Y565-L569 HydrophobicContact CD1-CG 4.47Å; Y565-L569 HydrophobicContact CE1-CD1 3.39Å; Y565-L569 HydrophobicContact CE1-CG 4.23Å; Y565-L569 WeakPolarHBondContact O-CG 3.22Å; Y565-L569 PolarHBondContact O-N 2.83Å; L566-L569 CarbonylContact O-C 3.54Å; L566-L569 WeakPolarHBondContact O-CA 3.49Å; L566-L569 WeakPolarHBondContact O-CB 3.42Å; L566-L569 PolarHBondContact O-N 3.47Å; L567-L569 PolarHBondContact O-N 3.27Å; L569-L571 PolarHBondContact O-N 3.24Å; L569-P572 VanDerWaalsContact O-CD 3.25Å; L569-P572 WeakPolarHBondContact O-CD 3.48Å; L569-P572 VanDerWaalsContact O-CG 3.28Å; L569-P572 WeakPolarHBondContact O-CG 3.41Å; L569-Y573 HydrophobicContact CB-CD2 3.81Å; L569-Y573 HydrophobicContact CB-CE2 4.02Å; L569-Y573 HydrophobicContact CD1-CE2 4Å; L569-Y573 HydrophobicContact CD2-CE2 4.43Å; L569-Y573 HydrophobicContact CG-CE2 4.38Å; L569-Y573 VanDerWaalsContact O-CB 3.32Å; L569-Y573 WeakPolarHBondContact O-CB 3.49Å; L569-Y573 VanDerWaalsContact O-CD2 3.26Å; L569-Y573 WeakPolarHBondContact O-CD2 3.19Å; L569-Y573 PolarHBondContact O-N 3.15Å; L569-Y573 VanDerWaalsContact O-N 3.1Å; L569-F619 HydrophobicContact CD1-CE1 4.46Å
570	A	96.3	Very high	94.5	Very high	23 Å²	23	27.4 Å²	27.4	19%	0.19	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-47.3	-168.5	0	0	0	0	0	113.4	F63 L67 L566 L567 Y573 V574	F63-A570 HydrophobicContact CE2-CB 4.09Å; L67-A570 HydrophobicContact CD2-CB 4.33Å; L566-A570 PolarHBondContact O-N 2.91Å; L566-A570 VanDerWaalsContact O-N 3.11Å; L567-A570 VanDerWaalsContact O-CB 3.27Å; L567-A570 WeakPolarHBondContact O-CB 3.48Å; L567-A570 PolarHBondContact O-N 3.41Å; L567-A570 VanDerWaalsContact O-N 3.15Å; A570-Y573 PolarHBondContact O-N 3.39Å; A570-V574 WeakPolarHBondContact O-CB 3.46Å; A570-V574 WeakPolarHBondContact O-CG1 3.49Å; A570-V574 PolarHBondContact O-N 2.73Å
571	L	94.2	Very high	94.6	Very high	67 Å²	67	23.5 Å²	23.5	35%	0.351	14%	0.135	S	C	.	.	H	α-helix	trans	-64.6	-52.2	-177.8	-168.9	117.7	0	0	0	113.7	F540 L569 Y573 V574 H575	F540-L571 HydrophobicContact CD1-CB 4.37Å; F540-L571 HydrophobicContact CE1-CB 4.03Å; F540-L571 HydrophobicContact CE1-CD2 3.82Å; F540-L571 HydrophobicContact CE1-CG 4.46Å; F540-L571 HydrophobicContact CE2-CD2 3.74Å; F540-L571 HydrophobicContact CZ-CB 4.46Å; F540-L571 HydrophobicContact CZ-CD2 3.37Å; F540-L571 HydrophobicContact CZ-CG 4.43Å; L569-L571 PolarHBondContact O-N 3.24Å; L571-Y573 VanDerWaalsContact C-N 3.29Å; L571-Y573 PolarHBondContact O-N 3.1Å; L571-V574 WeakPolarHBondContact O-CG1 3.4Å; L571-V574 PolarHBondContact O-N 2.89Å; L571-H575 PolarHBondContact O-N 2.9Å
572	P	95.6	Very high	94.5	Very high	2 Å²	2	24 Å²	24	1%	0.013	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-37	177.1	24.7	-35	0	0	0	111.9	L536 M537 F540 L569 F576	L536-P572 HydrophobicContact CB-CB 4.15Å; M537-P572 HydrophobicContact SD-CB 3.8Å; F540-P572 HydrophobicContact CB-CG 3.82Å; F540-P572 HydrophobicContact CG-CG 4.23Å; L569-P572 VanDerWaalsContact O-CD 3.25Å; L569-P572 WeakPolarHBondContact O-CD 3.48Å; L569-P572 VanDerWaalsContact O-CG 3.28Å; L569-P572 WeakPolarHBondContact O-CG 3.41Å; P572-F576 WeakPolarHBondContact O-CB 3.41Å; P572-F576 PolarHBondContact O-N 3.37Å
573	Y	96.1	Very high	94.5	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-68.9	-42.1	179.5	-88.9	-109.9	0	0	0	113.1	F63 L67 M537 L569 A570 L571 H575 F576 M577 L615 Y618 F619	F63-Y573 AromaticContact CE1-CD1 3.99Å; F63-Y573 HydrophobicContact CE1-CD1 3.99Å; F63-Y573 HydrophobicContact CE1-CG 4.09Å; F63-Y573 HydrophobicContact CZ-CG 4.36Å; L67-Y573 VanDerWaalsContact CD1-CB 3.49Å; M537-Y573 HydrophobicContact CE-CE2 4.24Å; L569-Y573 HydrophobicContact CB-CD2 3.81Å; L569-Y573 HydrophobicContact CB-CE2 4.02Å; L569-Y573 HydrophobicContact CD1-CE2 4Å; L569-Y573 HydrophobicContact CD2-CE2 4.43Å; L569-Y573 HydrophobicContact CG-CE2 4.38Å; L569-Y573 VanDerWaalsContact O-CB 3.32Å; L569-Y573 WeakPolarHBondContact O-CB 3.49Å; L569-Y573 VanDerWaalsContact O-CD2 3.26Å; L569-Y573 WeakPolarHBondContact O-CD2 3.19Å; L569-Y573 PolarHBondContact O-N 3.15Å; L569-Y573 VanDerWaalsContact O-N 3.1Å; A570-Y573 PolarHBondContact O-N 3.39Å; L571-Y573 VanDerWaalsContact C-N 3.29Å; L571-Y573 PolarHBondContact O-N 3.1Å; Y573-H575 VanDerWaalsContact C-N 3.3Å; Y573-H575 PolarHBondContact O-N 3.01Å; Y573-F576 PolarHBondContact O-N 3.15Å; Y573-M577 WeakPolarHBondContact O-CB 3.16Å; Y573-M577 VanDerWaalsContact O-CG 3.22Å; Y573-M577 WeakPolarHBondContact O-CG 3.14Å; Y573-M577 PolarHBondContact O-N 3.1Å; Y573-L615 HydrophobicContact CD1-CD2 4.02Å; Y573-L615 HydrophobicContact CE1-CB 4.43Å; Y573-L615 HydrophobicContact CE1-CD2 4.21Å; Y573-L615 WeakPolarHBondContact CE1-O 3.31Å; Y573-L615 PolarHBondContact OH-O 3.48Å; Y573-Y618 HydrophobicContact CE2-CD2 4.41Å; Y573-F619 HydrophobicContact CD1-CZ 4.16Å; Y573-F619 AromaticContact CE1-CE1 3.82Å; Y573-F619 HydrophobicContact CE1-CE1 3.82Å; Y573-F619 HydrophobicContact CE1-CE2 4.1Å; Y573-F619 AromaticContact CE1-CZ 3.51Å; Y573-F619 HydrophobicContact CE1-CZ 3.51Å; Y573-F619 AromaticContact CZ-CE1 3.91Å
574	V	95.4	Very high	94.5	Very high	18 Å²	18	25.1 Å²	25.1	11%	0.109	14%	0.136	C	C	.	.	H	α-helix	trans	-64.8	-39.2	178.9	76.8	0	0	0	0	110.9	L67 L70 V71 L386 A570 L571 M577 F578	L67-V574 HydrophobicContact CB-CG2 4.44Å; L67-V574 HydrophobicContact CD1-CB 4.43Å; L67-V574 HydrophobicContact CD2-CB 4.21Å; L67-V574 HydrophobicContact CD2-CG2 4.46Å; L70-V574 HydrophobicContact CB-CG2 4.4Å; V71-V574 HydrophobicContact CG2-CG2 3.79Å; L386-V574 HydrophobicContact CD1-CG2 4.11Å; L386-V574 HydrophobicContact CD2-CG2 4.13Å; A570-V574 WeakPolarHBondContact O-CB 3.46Å; A570-V574 WeakPolarHBondContact O-CG1 3.49Å; A570-V574 PolarHBondContact O-N 2.73Å; L571-V574 WeakPolarHBondContact O-CG1 3.4Å; L571-V574 PolarHBondContact O-N 2.89Å; V574-M577 PolarHBondContact O-N 2.98Å; V574-F578 WeakPolarHBondContact O-CB 3.42Å; V574-F578 PolarHBondContact O-N 2.85Å
575	H	94	Very high	94.4	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.028	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-44.3	174.3	-169.6	62.3	0	0	0	112	F383 D384 L385 Y532 L571 Y573 M577 F578 L579	F383-H575 AromaticContact CD2-CE1 3.77Å; D384-H575 PolarHBondContact O-CE1 2.93Å; L385-H575 HydrophobicContact CD2-CB 4.4Å; Y532-H575 AromaticContact CE2-CD2 3.94Å; Y532-H575 AromaticContact CE2-NE2 3.37Å; Y532-H575 WeakPolarHBondContact CE2-NE2 3.22Å; Y532-H575 AromaticContact CZ-NE2 3.57Å; Y532-H575 PolarHBondContact OH-NE2 3.39Å; L571-H575 PolarHBondContact O-N 2.9Å; Y573-H575 VanDerWaalsContact C-N 3.3Å; Y573-H575 PolarHBondContact O-N 3.01Å; H575-M577 PolarHBondContact O-N 3.38Å; H575-F578 WeakPolarHBondContact O-CB 3.39Å; H575-F578 PolarHBondContact O-N 3.45Å; H575-L579 WeakPolarHBondContact O-CG 3.26Å; H575-L579 PolarHBondContact O-N 3.48Å
576	F	93.1	Very high	94.2	Very high	15 Å²	15	25.4 Å²	25.4	7%	0.066	14%	0.136	C	C	.	.	H	α-helix	trans	-64.1	-41.3	178	-134.8	-63.1	0	0	0	112	W516 V533 M537 P572 Y573 F578 L579 F580 F614 L615	W516-F576 AromaticContact CH2-CE2 3.46Å; W516-F576 HydrophobicContact CH2-CE2 3.46Å; W516-F576 VanDerWaalsContact CH2-CE2 3.46Å; W516-F576 AromaticContact CH2-CZ 3.64Å; W516-F576 HydrophobicContact CH2-CZ 3.64Å; W516-F576 HydrophobicContact CZ2-CE2 4.23Å; W516-F576 HydrophobicContact CZ3-CE2 4.03Å; W516-F576 HydrophobicContact CZ3-CZ 4.34Å; V533-F576 HydrophobicContact CG1-CD2 3.82Å; V533-F576 HydrophobicContact CG1-CE2 3.34Å; V533-F576 HydrophobicContact CG1-CZ 3.91Å; M537-F576 HydrophobicContact CE-CD2 3.96Å; M537-F576 HydrophobicContact CE-CE2 4.23Å; M537-F576 HydrophobicContact CG-CD2 3.88Å; M537-F576 HydrophobicContact CG-CE2 3.91Å; M537-F576 HydrophobicContact SD-CD2 3.97Å; M537-F576 HydrophobicContact SD-CE2 4.48Å; P572-F576 WeakPolarHBondContact O-CB 3.41Å; P572-F576 PolarHBondContact O-N 3.37Å; Y573-F576 PolarHBondContact O-N 3.15Å; F576-F578 VanDerWaalsContact C-N 3.29Å; F576-F578 PolarHBondContact O-N 3.39Å; F576-L579 PolarHBondContact O-N 3.47Å; F576-F580 AromaticContact CD1-CD2 3.6Å; F576-F580 HydrophobicContact CD1-CD2 3.6Å; F576-F580 HydrophobicContact CD1-CE1 4.17Å; F576-F580 AromaticContact CD1-CE2 3.04Å; F576-F580 HydrophobicContact CD1-CE2 3.04Å; F576-F580 HydrophobicContact CD1-CG 4.37Å; F576-F580 AromaticContact CD1-CZ 3.37Å; F576-F580 HydrophobicContact CD1-CZ 3.37Å; F576-F580 HydrophobicContact CE1-CD2 4.22Å; F576-F580 AromaticContact CE1-CE1 3.81Å; F576-F580 HydrophobicContact CE1-CE1 3.81Å; F576-F580 AromaticContact CE1-CE2 3.39Å; F576-F580 HydrophobicContact CE1-CE2 3.39Å; F576-F580 AromaticContact CE1-CZ 3.13Å; F576-F580 HydrophobicContact CE1-CZ 3.13Å; F576-F580 HydrophobicContact CG-CE2 4.14Å; F576-F580 HydrophobicContact CZ-CZ 4.31Å; F576-F580 WeakPolarHBondContact O-CD2 3.44Å; F576-F580 PolarHBondContact O-N 3.11Å; F576-F614 HydrophobicContact CE1-CB 4.14Å; F576-F614 AromaticContact CE1-CD2 3.7Å; F576-F614 HydrophobicContact CE1-CD2 3.7Å; F576-F614 HydrophobicContact CE1-CG 4.36Å; F576-F614 HydrophobicContact CZ-CB 4.13Å; F576-F614 AromaticContact CZ-CD2 3.61Å; F576-F614 HydrophobicContact CZ-CD2 3.61Å; F576-F614 HydrophobicContact CZ-CE2 4.32Å; F576-F614 HydrophobicContact CZ-CG 4.15Å; F576-L615 HydrophobicContact CB-CD2 4.48Å
577	M	94.3	Very high	94	Very high	21 Å²	21	26.3 Å²	26.3	10%	0.103	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-37.8	176.1	-71	178.8	84.7	0	0	111.8	V64 L67 W68 V71 Y573 V574 H575 F580 W581 L615	V64-M577 HydrophobicContact CG1-CE 3.85Å; L67-M577 HydrophobicContact CB-SD 3.68Å; L67-M577 HydrophobicContact CD1-SD 4.35Å; W68-M577 HydrophobicContact CB-CE 3.68Å; W68-M577 HydrophobicContact CG-CE 4.36Å; V71-M577 HydrophobicContact CG2-CB 4.15Å; Y573-M577 WeakPolarHBondContact O-CB 3.16Å; Y573-M577 VanDerWaalsContact O-CG 3.22Å; Y573-M577 WeakPolarHBondContact O-CG 3.14Å; Y573-M577 PolarHBondContact O-N 3.1Å; V574-M577 PolarHBondContact O-N 2.98Å; H575-M577 PolarHBondContact O-N 3.38Å; M577-F580 PolarHBondContact O-N 3.32Å; M577-W581 PolarHBondContact O-N 3.04Å; M577-L615 HydrophobicContact CG-CD1 4.47Å; M577-L615 HydrophobicContact CG-CD2 4.05Å
578	F	92.8	Very high	94	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-47	172.6	-177.8	-109.9	0	0	0	112.2	V71 L75 F291 D384 L386 V574 H575 F576 F580 W581 V582	V71-F578 HydrophobicContact CG1-CD2 4.21Å; V71-F578 HydrophobicContact CG2-CB 4.3Å; L75-F578 HydrophobicContact CD2-CD2 4.32Å; L75-F578 HydrophobicContact CD2-CE2 3.73Å; L75-F578 HydrophobicContact CG-CE2 4.5Å; F291-F578 HydrophobicContact CD2-CE1 4.31Å; F291-F578 AromaticContact CD2-CZ 3.82Å; F291-F578 HydrophobicContact CD2-CZ 3.82Å; F291-F578 AromaticContact CE2-CE1 3.69Å; F291-F578 HydrophobicContact CE2-CE1 3.69Å; F291-F578 HydrophobicContact CE2-CE2 4.21Å; F291-F578 AromaticContact CE2-CZ 3.22Å; F291-F578 HydrophobicContact CE2-CZ 3.22Å; F291-F578 HydrophobicContact CZ-CZ 4.17Å; D384-F578 WeakPolarHBondContact OD1-CE1 3.25Å; D384-F578 WeakPolarHBondContact OD1-CZ 3.36Å; L386-F578 HydrophobicContact CD2-CB 4.34Å; L386-F578 HydrophobicContact CD2-CD2 4.17Å; L386-F578 HydrophobicContact CD2-CG 4.41Å; V574-F578 WeakPolarHBondContact O-CB 3.42Å; V574-F578 PolarHBondContact O-N 2.85Å; H575-F578 WeakPolarHBondContact O-CB 3.39Å; H575-F578 PolarHBondContact O-N 3.45Å; F576-F578 VanDerWaalsContact C-N 3.29Å; F576-F578 PolarHBondContact O-N 3.39Å; F578-F580 VanDerWaalsContact C-N 3.32Å; F578-F580 PolarHBondContact O-N 3.48Å; F578-W581 WeakPolarHBondContact O-CB 3.39Å; F578-W581 PolarHBondContact O-N 2.88Å; F578-W581 VanDerWaalsContact O-N 3.15Å; F578-V582 PolarHBondContact O-N 3.39Å
579	L	92.9	Very high	93.9	Very high	17 Å²	17	20 Å²	20	9%	0.089	10%	0.103	C	C	.	.	H	α-helix	trans	-60.3	-40.6	175.3	-68.8	176.6	0	0	0	112.2	V295 V533 H575 F576 W581 V582 V583	V295-L579 HydrophobicContact CB-CD2 4.37Å; V295-L579 HydrophobicContact CG2-CD1 4.3Å; V295-L579 HydrophobicContact CG2-CD2 4.33Å; V533-L579 HydrophobicContact CG1-CD1 4.28Å; V533-L579 HydrophobicContact CG2-CD1 3.76Å; H575-L579 WeakPolarHBondContact O-CG 3.26Å; H575-L579 PolarHBondContact O-N 3.48Å; F576-L579 PolarHBondContact O-N 3.47Å; L579-W581 VanDerWaalsContact C-N 3.34Å; L579-V582 PolarHBondContact O-N 3.44Å; L579-V583 WeakPolarHBondContact O-CG2 3.29Å; L579-V583 PolarHBondContact O-N 2.95Å
580	F	93.3	Very high	93.8	Very high	21 Å²	21	20.6 Å²	20.6	9%	0.092	11%	0.106	C	C	.	.	H	α-helix	trans	-65.2	-38.1	175	-74.3	-50.6	0	0	0	112.8	F576 M577 F578 V582 V583 F584 T611 F614 L615	F576-F580 AromaticContact CD1-CD2 3.6Å; F576-F580 HydrophobicContact CD1-CD2 3.6Å; F576-F580 HydrophobicContact CD1-CE1 4.17Å; F576-F580 AromaticContact CD1-CE2 3.04Å; F576-F580 HydrophobicContact CD1-CE2 3.04Å; F576-F580 HydrophobicContact CD1-CG 4.37Å; F576-F580 AromaticContact CD1-CZ 3.37Å; F576-F580 HydrophobicContact CD1-CZ 3.37Å; F576-F580 HydrophobicContact CE1-CD2 4.22Å; F576-F580 AromaticContact CE1-CE1 3.81Å; F576-F580 HydrophobicContact CE1-CE1 3.81Å; F576-F580 AromaticContact CE1-CE2 3.39Å; F576-F580 HydrophobicContact CE1-CE2 3.39Å; F576-F580 AromaticContact CE1-CZ 3.13Å; F576-F580 HydrophobicContact CE1-CZ 3.13Å; F576-F580 HydrophobicContact CG-CE2 4.14Å; F576-F580 HydrophobicContact CZ-CZ 4.31Å; F576-F580 WeakPolarHBondContact O-CD2 3.44Å; F576-F580 PolarHBondContact O-N 3.11Å; M577-F580 PolarHBondContact O-N 3.32Å; F578-F580 VanDerWaalsContact C-N 3.32Å; F578-F580 PolarHBondContact O-N 3.48Å; F580-V582 VanDerWaalsContact C-N 3.33Å; F580-V583 PolarHBondContact O-N 3.28Å; F580-F584 HydrophobicContact CB-CD2 4.49Å; F580-F584 HydrophobicContact CB-CE2 4.49Å; F580-F584 WeakPolarHBondContact O-CD2 3.41Å; F580-F584 PolarHBondContact O-N 3Å; F580-T611 HydrophobicContact CB-CG2 4.4Å; F580-T611 HydrophobicContact CD1-CG2 4.03Å; F580-T611 VanDerWaalsContact CD1-OG1 3.24Å; F580-T611 WeakPolarHBondContact CD1-OG1 3.29Å; F580-T611 HydrophobicContact CD2-CG2 3.65Å; F580-T611 HydrophobicContact CE1-CG2 4.15Å; F580-T611 VanDerWaalsContact CE1-OG1 3.29Å; F580-T611 WeakPolarHBondContact CE1-OG1 3.13Å; F580-T611 HydrophobicContact CE2-CG2 3.74Å; F580-T611 HydrophobicContact CG-CG2 3.79Å; F580-T611 VanDerWaalsContact CZ-CA 3.42Å; F580-T611 HydrophobicContact CZ-CG2 3.99Å; F580-F614 HydrophobicContact CE1-CD2 4.31Å; F580-F614 HydrophobicContact CE2-CB 4.45Å; F580-F614 HydrophobicContact CZ-CB 3.96Å; F580-F614 AromaticContact CZ-CD2 3.81Å; F580-F614 HydrophobicContact CZ-CD2 3.81Å; F580-F614 HydrophobicContact CZ-CG 4.37Å; F580-L615 HydrophobicContact CD2-CD1 4.28Å; F580-L615 HydrophobicContact CD2-CD2 4.32Å; F580-L615 HydrophobicContact CD2-CG 4.29Å; F580-L615 HydrophobicContact CE2-CD1 4.22Å; F580-L615 HydrophobicContact CE2-CD2 3.95Å; F580-L615 HydrophobicContact CE2-CG 3.79Å
581	W	93.3	Very high	93.7	Very high	43 Å²	43	20.1 Å²	20.1	16%	0.163	10%	0.1	C	C	.	.	H	α-helix	trans	-57.7	-48.7	172.6	175.3	83.4	0	0	0	110.5	L75 E329 M577 F578 L579 V583 F584 E585	L75-W581 HydrophobicContact CD1-CD2 3.39Å; L75-W581 HydrophobicContact CD1-CE3 3.92Å; L75-W581 HydrophobicContact CD1-CG 3.69Å; L75-W581 HydrophobicContact CD1-CH2 4.32Å; L75-W581 HydrophobicContact CD1-CZ2 3.85Å; L75-W581 HydrophobicContact CD1-CZ3 4.36Å; L75-W581 HydrophobicContact CD2-CD2 3.97Å; L75-W581 HydrophobicContact CD2-CE3 3.57Å; L75-W581 HydrophobicContact CD2-CH2 3.54Å; L75-W581 HydrophobicContact CD2-CZ2 3.93Å; L75-W581 HydrophobicContact CD2-CZ3 3.36Å; L75-W581 HydrophobicContact CG-CD2 4.31Å; L75-W581 HydrophobicContact CG-CE3 4.38Å; L75-W581 HydrophobicContact CG-CH2 4.48Å; L75-W581 HydrophobicContact CG-CZ2 4.41Å; L75-W581 HydrophobicContact CG-CZ3 4.48Å; E329-W581 HydrophobicContact CG-CH2 3.74Å; E329-W581 HydrophobicContact CG-CZ2 4.13Å; M577-W581 PolarHBondContact O-N 3.04Å; F578-W581 WeakPolarHBondContact O-CB 3.39Å; F578-W581 PolarHBondContact O-N 2.88Å; F578-W581 VanDerWaalsContact O-N 3.15Å; L579-W581 VanDerWaalsContact C-N 3.34Å; W581-V583 VanDerWaalsContact C-N 3.33Å; W581-V583 PolarHBondContact O-N 3.07Å; W581-F584 PolarHBondContact O-N 3.42Å; W581-E585 HydrophobicContact CH2-CB 4.44Å; W581-E585 HydrophobicContact CH2-CG 4.08Å; W581-E585 HydrophobicContact CZ2-CB 4.23Å; W581-E585 HydrophobicContact CZ2-CG 3.86Å; W581-E585 WeakPolarHBondContact O-CB 3.32Å; W581-E585 PolarHBondContact O-N 3.39Å
582	V	90.9	Very high	93.6	Very high	13 Å²	13	16.9 Å²	16.9	8%	0.079	8%	0.083	C	C	.	.	H	α-helix	trans	-57.2	-45.5	176.5	176	0	0	0	0	111.4	F291 I328 F578 L579 F580 F584 E585 I586	F291-V582 HydrophobicContact CZ-CG2 4.37Å; I328-V582 HydrophobicContact CD1-CG1 3.97Å; F578-V582 PolarHBondContact O-N 3.39Å; L579-V582 PolarHBondContact O-N 3.44Å; F580-V582 VanDerWaalsContact C-N 3.33Å; V582-F584 PolarHBondContact O-N 2.8Å; V582-E585 PolarHBondContact O-N 2.97Å; V582-I586 HydrophobicContact CG1-CD1 3.8Å; V582-I586 WeakPolarHBondContact O-CG1 3.29Å; V582-I586 PolarHBondContact O-N 3.21Å; V582-I586 VanDerWaalsContact O-N 3.09Å
583	V	92.3	Very high	93.4	Very high	39 Å²	39	19.8 Å²	19.8	24%	0.236	9%	0.094	C	C	.	.	H	α-helix	trans	-58.9	-48.5	177.4	169.5	0	0	0	0	111.1	L579 F580 W581 I586 F587 L607	L579-V583 WeakPolarHBondContact O-CG2 3.29Å; L579-V583 PolarHBondContact O-N 2.95Å; F580-V583 PolarHBondContact O-N 3.28Å; W581-V583 VanDerWaalsContact C-N 3.33Å; W581-V583 PolarHBondContact O-N 3.07Å; V583-I586 PolarHBondContact O-N 2.98Å; V583-F587 HydrophobicContact CG1-CD2 3.96Å; V583-F587 HydrophobicContact CG1-CE2 4.44Å; V583-F587 WeakPolarHBondContact O-CB 3.46Å; V583-F587 VanDerWaalsContact O-CD2 3.29Å; V583-F587 WeakPolarHBondContact O-CD2 3.29Å; V583-F587 PolarHBondContact O-N 2.96Å; V583-L607 HydrophobicContact CG1-CD1 4.29Å; V583-L607 HydrophobicContact CG1-CD2 4.08Å
584	F	94.1	Very high	93.1	Very high	19 Å²	19	20.3 Å²	20.3	8%	0.083	10%	0.098	C	C	.	.	H	α-helix	trans	-71.8	-33	-179.1	-73.7	-63.2	0	0	0	113.2	F469 F580 W581 V582 I586 T588 M604 L607 V608 T611	F469-F584 HydrophobicContact CE1-CB 4.41Å; F469-F584 HydrophobicContact CE1-CD1 4.47Å; F469-F584 HydrophobicContact CE1-CG 4.23Å; F469-F584 HydrophobicContact CE2-CB 4.36Å; F469-F584 AromaticContact CE2-CD1 3.55Å; F469-F584 HydrophobicContact CE2-CD1 3.55Å; F469-F584 HydrophobicContact CE2-CE1 4.02Å; F469-F584 HydrophobicContact CE2-CG 4.05Å; F469-F584 HydrophobicContact CZ-CB 3.89Å; F469-F584 AromaticContact CZ-CD1 3.31Å; F469-F584 HydrophobicContact CZ-CD1 3.31Å; F469-F584 AromaticContact CZ-CD2 3.95Å; F469-F584 HydrophobicContact CZ-CD2 3.95Å; F469-F584 AromaticContact CZ-CE1 3.73Å; F469-F584 HydrophobicContact CZ-CE1 3.73Å; F469-F584 HydrophobicContact CZ-CE2 4.32Å; F469-F584 AromaticContact CZ-CG 3.43Å; F469-F584 HydrophobicContact CZ-CG 3.43Å; F469-F584 VanDerWaalsContact CZ-CG 3.43Å; F469-F584 HydrophobicContact CZ-CZ 4.22Å; F580-F584 HydrophobicContact CB-CD2 4.49Å; F580-F584 HydrophobicContact CB-CE2 4.49Å; F580-F584 WeakPolarHBondContact O-CD2 3.41Å; F580-F584 PolarHBondContact O-N 3Å; W581-F584 PolarHBondContact O-N 3.42Å; V582-F584 PolarHBondContact O-N 2.8Å; F584-I586 VanDerWaalsContact C-N 3.27Å; F584-I586 PolarHBondContact O-N 3.46Å; F584-T588 WeakPolarHBondContact O-CB 3.35Å; F584-T588 PolarHBondContact O-N 3.18Å; F584-T588 VanDerWaalsContact O-N 3.07Å; F584-T588 PolarHBondContact O-OG1 3Å; F584-M604 HydrophobicContact CD1-CE 3.82Å; F584-M604 HydrophobicContact CE1-CE 4.02Å; F584-L607 HydrophobicContact CE1-CB 3.76Å; F584-L607 HydrophobicContact CZ-CB 4.05Å; F584-V608 HydrophobicContact CE1-CG2 3.87Å; F584-V608 HydrophobicContact CZ-CG2 3.83Å; F584-T611 HydrophobicContact CE2-CG2 4.37Å; F584-T611 WeakPolarHBondContact CE2-OG1 3.39Å
585	E	92.4	Very high	92.8	Very high	39 Å²	39	19.6 Å²	19.6	18%	0.182	9%	0.094	C	C	.	.	H	α-helix	trans	-62.3	-36.6	175.6	-165.6	60.4	-146.9	0	0	111.4	N330 W581 V582 P589	N330-E585 PolarHBondContact N-OE1 2.9Å; W581-E585 HydrophobicContact CH2-CB 4.44Å; W581-E585 HydrophobicContact CH2-CG 4.08Å; W581-E585 HydrophobicContact CZ2-CB 4.23Å; W581-E585 HydrophobicContact CZ2-CG 3.86Å; W581-E585 WeakPolarHBondContact O-CB 3.32Å; W581-E585 PolarHBondContact O-N 3.39Å; V582-E585 PolarHBondContact O-N 2.97Å; E585-P589 WeakPolarHBondContact O-CD 3.43Å; E585-P589 VanDerWaalsContact O-CG 3.27Å; E585-P589 WeakPolarHBondContact O-CG 3.45Å
586	I	91.1	Very high	92.7	Very high	38 Å²	38	19.3 Å²	19.3	20%	0.195	9%	0.093	C	C	.	.	H	α-helix	trans	-82.6	-51.3	178.7	-68.6	172.2	0	0	0	111.8	I305 I328 V582 V583 F584 P589 I590	I305-I586 HydrophobicContact CD1-CG2 4.03Å; I328-I586 HydrophobicContact CB-CG1 4.37Å; I328-I586 HydrophobicContact CD1-CD1 4.07Å; I328-I586 HydrophobicContact CD1-CG1 4.18Å; V582-I586 HydrophobicContact CG1-CD1 3.8Å; V582-I586 WeakPolarHBondContact O-CG1 3.29Å; V582-I586 PolarHBondContact O-N 3.21Å; V582-I586 VanDerWaalsContact O-N 3.09Å; V583-I586 PolarHBondContact O-N 2.98Å; F584-I586 VanDerWaalsContact C-N 3.27Å; F584-I586 PolarHBondContact O-N 3.46Å; I586-P589 WeakPolarHBondContact O-CD 3.3Å; I586-I590 HydrophobicContact CG2-CD1 3.46Å; I586-I590 VanDerWaalsContact CG2-CD1 3.46Å; I586-I590 WeakPolarHBondContact O-CB 3.43Å; I586-I590 WeakPolarHBondContact O-CD1 3.35Å; I586-I590 WeakPolarHBondContact O-CG1 3.02Å; I586-I590 PolarHBondContact O-N 2.77Å
587	F	93.6	Very high	92.6	Very high	27 Å²	27	22 Å²	22	12%	0.118	11%	0.106	C	C	.	.	H	α-helix	trans	-75.7	-30.6	-170.6	-81.5	-94.2	0	0	0	113.2	V299 V304 V583 I590 M591 L607	V299-F587 HydrophobicContact CG1-CE2 4.43Å; V299-F587 HydrophobicContact CG1-CZ 4.42Å; V304-F587 HydrophobicContact CG1-CE1 3.86Å; V304-F587 HydrophobicContact CG1-CZ 3.75Å; V583-F587 HydrophobicContact CG1-CD2 3.96Å; V583-F587 HydrophobicContact CG1-CE2 4.44Å; V583-F587 WeakPolarHBondContact O-CB 3.46Å; V583-F587 VanDerWaalsContact O-CD2 3.29Å; V583-F587 WeakPolarHBondContact O-CD2 3.29Å; V583-F587 PolarHBondContact O-N 2.96Å; F587-I590 PolarHBondContact O-N 2.97Å; F587-M591 WeakPolarHBondContact O-CG 2.99Å; F587-M591 PolarHBondContact O-N 3.21Å; F587-M591 VanDerWaalsContact O-N 3.11Å; F587-L607 HydrophobicContact CB-CD1 3.84Å; F587-L607 HydrophobicContact CD1-CD1 4.24Å; F587-L607 HydrophobicContact CG-CD1 3.98Å
588	T	95.3	Very high	92.5	Very high	6 Å²	6	24 Å²	24	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-62.2	-49.9	-179.4	-53.4	0	0	0	0	111.4	F332 W465 Y466 F469 F584 M604	F332-T588 HydrophobicContact CE1-CG2 4.01Å; F332-T588 HydrophobicContact CZ-CG2 3.73Å; W465-T588 HydrophobicContact CE3-CG2 3.75Å; W465-T588 HydrophobicContact CZ3-CG2 3.6Å; Y466-T588 WeakPolarHBondContact CD2-O 3.13Å; Y466-T588 WeakPolarHBondContact CE2-O 3.49Å; F469-T588 HydrophobicContact CD2-CG2 4.26Å; F584-T588 WeakPolarHBondContact O-CB 3.35Å; F584-T588 PolarHBondContact O-N 3.18Å; F584-T588 VanDerWaalsContact O-N 3.07Å; F584-T588 PolarHBondContact O-OG1 3Å; T588-M604 WeakPolarHBondContact OG1-CE 3.28Å
589	P	94.9	Very high	92.5	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-66.3	-38.7	172.9	-22.4	34.9	0	0	0	114.4	G331 F332 E585 I586 M591 G592	G331-P589 VanDerWaalsContact C-CB 3.4Å; F332-P589 HydrophobicContact CD1-CB 4.11Å; F332-P589 HydrophobicContact CD1-CG 4.1Å; F332-P589 HydrophobicContact CD2-CG 3.89Å; F332-P589 HydrophobicContact CE1-CB 4.34Å; F332-P589 HydrophobicContact CE1-CG 4.02Å; F332-P589 HydrophobicContact CE2-CG 3.81Å; F332-P589 HydrophobicContact CG-CB 4.24Å; F332-P589 HydrophobicContact CG-CG 4.05Å; F332-P589 HydrophobicContact CZ-CG 3.89Å; E585-P589 WeakPolarHBondContact O-CD 3.43Å; E585-P589 VanDerWaalsContact O-CG 3.27Å; E585-P589 WeakPolarHBondContact O-CG 3.45Å; I586-P589 WeakPolarHBondContact O-CD 3.3Å; P589-M591 VanDerWaalsContact C-N 3.27Å; P589-M591 PolarHBondContact O-N 2.96Å; P589-G592 WeakPolarHBondContact O-CA 3.23Å; P589-G592 PolarHBondContact O-N 3.44Å
590	I	93.9	Very high	92.6	Very high	13 Å²	13	25.8 Å²	25.8	7%	0.067	13%	0.129	C	C	.	.	H	α-helix	trans	-57.3	-41.8	-179	-76.4	173.8	0	0	0	111	I305 I586 F587 G592 R593 S594	I305-I590 HydrophobicContact CG1-CD1 4.44Å; I305-I590 HydrophobicContact CG2-CD1 4.16Å; I586-I590 HydrophobicContact CG2-CD1 3.46Å; I586-I590 VanDerWaalsContact CG2-CD1 3.46Å; I586-I590 WeakPolarHBondContact O-CB 3.43Å; I586-I590 WeakPolarHBondContact O-CD1 3.35Å; I586-I590 WeakPolarHBondContact O-CG1 3.02Å; I586-I590 PolarHBondContact O-N 2.77Å; F587-I590 PolarHBondContact O-N 2.97Å; I590-G592 PolarHBondContact O-N 3.42Å; I590-G592 VanDerWaalsContact O-N 3.08Å; I590-R593 CarbonylContact O-C 3.49Å; I590-R593 WeakPolarHBondContact O-CA 3.44Å; I590-R593 WeakPolarHBondContact O-CG 3.27Å; I590-R593 PolarHBondContact O-N 3.32Å; I590-S594 WeakPolarHBondContact CG2-OG 3.3Å; I590-S594 PolarHBondContact O-N 3.48Å; I590-S594 PolarHBondContact O-OG 2.98Å
591	M	94.3	Very high	92.8	Very high	12 Å²	12	24.8 Å²	24.8	6%	0.059	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.7	176.8	-69.3	-59.4	96.6	0	0	114.1	M463 W465 F587 P589 R593 S594 I598 P600 V603 M604	M463-M591 HydrophobicContact CE-CB 4.37Å; M463-M591 HydrophobicContact SD-CB 4.22Å; W465-M591 HydrophobicContact CH2-CB 3.56Å; W465-M591 HydrophobicContact CH2-CG 3.87Å; W465-M591 HydrophobicContact CZ2-CB 4.46Å; W465-M591 HydrophobicContact CZ3-CB 4.38Å; F587-M591 WeakPolarHBondContact O-CG 2.99Å; F587-M591 PolarHBondContact O-N 3.21Å; F587-M591 VanDerWaalsContact O-N 3.11Å; P589-M591 VanDerWaalsContact C-N 3.27Å; P589-M591 PolarHBondContact O-N 2.96Å; M591-R593 PolarHBondContact O-N 2.92Å; M591-S594 WeakPolarHBondContact CE-OG 3.49Å; M591-I598 HydrophobicContact SD-CG2 4.39Å; M591-P600 HydrophobicContact CB-CB 4.09Å; M591-P600 HydrophobicContact CG-CB 4.24Å; M591-P600 HydrophobicContact SD-CB 4.04Å; M591-V603 HydrophobicContact CE-CG1 4.21Å; M591-V603 HydrophobicContact SD-CB 3.8Å; M591-V603 HydrophobicContact SD-CG1 3.86Å; M591-V603 HydrophobicContact SD-CG2 3.91Å; M591-M604 HydrophobicContact CG-CG 4.45Å; M591-M604 HydrophobicContact CG-SD 4.26Å
592	G	92.6	Very high	93	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	4.8	171.2	0	0	0	0	0	114.7	P589 I590 R666	P589-G592 WeakPolarHBondContact O-CA 3.23Å; P589-G592 PolarHBondContact O-N 3.44Å; I590-G592 PolarHBondContact O-N 3.42Å; I590-G592 VanDerWaalsContact O-N 3.08Å; G592-R666 PolarHBondContact O-NH1 3.11Å
593	R	91	Very high	93.2	Very high	62 Å²	62	27 Å²	27	23%	0.234	14%	0.143	C	C	.	.	S	Bend	trans	-147.2	13.3	179.9	62	178	-179.3	-163.6	1.7	114.1	Y334 I590 M591 G595 F695	Y334-R593 VanDerWaalsContact CG-NH1 3.34Å; I590-R593 CarbonylContact O-C 3.49Å; I590-R593 WeakPolarHBondContact O-CA 3.44Å; I590-R593 WeakPolarHBondContact O-CG 3.27Å; I590-R593 PolarHBondContact O-N 3.32Å; M591-R593 PolarHBondContact O-N 2.92Å; R593-G595 VanDerWaalsContact C-N 3.29Å; R593-G595 PolarHBondContact O-N 3.41Å; R593-F695 CarbonylContact C-O 3.47Å; R593-F695 WeakPolarHBondContact CA-O 3.49Å
594	S	90.1	Very high	93.5	Very high	12 Å²	12	25.2 Å²	25.2	8%	0.084	13%	0.132	C	C	.	.	S	Bend	trans	-87.3	13	-178.7	-66.9	0	0	0	0	114.4	I590 M591 F695	I590-S594 WeakPolarHBondContact CG2-OG 3.3Å; I590-S594 PolarHBondContact O-N 3.48Å; I590-S594 PolarHBondContact O-OG 2.98Å; M591-S594 WeakPolarHBondContact CE-OG 3.49Å; S594-F695 PolarHBondContact N-O 3Å
595	G	89.5	Confident	93.7	Very high	4 Å²	4	24.3 Å²	24.3	4%	0.041	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-167.6	-179.9	0	0	0	0	0	113.9	R593 F695 D696 F697 L736	R593-G595 VanDerWaalsContact C-N 3.29Å; R593-G595 PolarHBondContact O-N 3.41Å; G595-F695 WeakPolarHBondContact CA-O 3.29Å; G595-F695 PolarHBondContact N-O 3.45Å; G595-D696 CarbonylContact O-C 3.59Å; G595-D696 WeakPolarHBondContact O-CA 3.35Å; G595-F697 PolarHBondContact O-N 3.46Å; G595-L736 CarbonylContact C-O 3.51Å; G595-L736 VanDerWaalsContact CA-O 3.31Å; G595-L736 WeakPolarHBondContact CA-O 3.26Å
596	T	91.3	Very high	94	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-8.4	-168.6	64.5	0	0	0	0	114.3	S694 L736 R738 K739	T596-S694 VanDerWaalsContact CG2-O 3.29Å; T596-S694 WeakPolarHBondContact CG2-O 3.26Å; T596-L736 PolarHBondContact N-O 3.36Å; T596-R738 PolarHBondContact OG1-N 3.41Å; T596-R738 VanDerWaalsContact OG1-N 3.11Å; T596-K739 HydrophobicContact CG2-CB 4.02Å; T596-K739 PolarHBondContact O-NZ 3.16Å; T596-K739 PolarHBondContact OG1-N 2.92Å
597	E	90.6	Very high	94.3	Very high	71 Å²	71	24.1 Å²	24.1	33%	0.332	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-34.3	-169.4	-58.4	-49.8	109.4	0	0	113.5	P599 R738	E597-P599 WeakPolarHBondContact O-CD 3.31Å; E597-R738 HydrophobicContact CG-CB 4.18Å; E597-R738 HydrophobicContact CG-CG 3.88Å
598	I	91.6	Very high	94.5	Very high	64 Å²	64	22.9 Å²	22.9	33%	0.328	13%	0.126	S	C	.	.	S	Bend	trans	-73.2	117.1	-179	-65.2	173.9	0	0	0	109.1	M591 P600 V603 F697	M591-I598 HydrophobicContact SD-CG2 4.39Å; I598-P600 WeakPolarHBondContact O-CD 3.18Å; I598-V603 HydrophobicContact CG2-CG2 4.04Å; I598-F697 VanDerWaalsContact O-CD2 3.31Å; I598-F697 WeakPolarHBondContact O-CD2 3.47Å
599	P	93.9	Very high	94.6	Very high	56 Å²	56	22.8 Å²	22.8	36%	0.364	13%	0.125	S	C	.	.			trans	-73.7	107.9	-179.6	-16.5	32.4	0	0	0	110.9	E597 E601 V602 V603 F697	E597-P599 WeakPolarHBondContact O-CD 3.31Å; P599-E601 VanDerWaalsContact C-N 3.32Å; P599-E601 PolarHBondContact O-N 3.5Å; P599-V602 HydrophobicContact CB-CB 4.3Å; P599-V602 HydrophobicContact CB-CG2 3.97Å; P599-V602 PolarHBondContact O-N 3.29Å; P599-V603 PolarHBondContact O-N 2.93Å; P599-F697 HydrophobicContact CB-CE2 4.17Å; P599-F697 HydrophobicContact CG-CE2 4.41Å
600	P	95.4	Very high	94.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-74.1	-27.8	-167.3	34.2	-39	0	0	0	111.6	M463 W465 M591 I598 V602 V603 M604 F697	M463-P600 HydrophobicContact CG-CB 4.48Å; M463-P600 HydrophobicContact CG-CG 3.89Å; M463-P600 HydrophobicContact SD-CB 3.53Å; M463-P600 VanDerWaalsContact SD-CB 3.53Å; M463-P600 HydrophobicContact SD-CG 3.6Å; M463-P600 VanDerWaalsContact SD-CG 3.6Å; W465-P600 HydrophobicContact CH2-CB 4.42Å; W465-P600 HydrophobicContact CZ2-CB 3.96Å; M591-P600 HydrophobicContact CB-CB 4.09Å; M591-P600 HydrophobicContact CG-CB 4.24Å; M591-P600 HydrophobicContact SD-CB 4.04Å; I598-P600 WeakPolarHBondContact O-CD 3.18Å; P600-V602 VanDerWaalsContact C-N 3.31Å; P600-V602 PolarHBondContact O-N 2.96Å; P600-V603 PolarHBondContact O-N 3.38Å; P600-M604 WeakPolarHBondContact O-CG 3.38Å; P600-M604 PolarHBondContact O-N 2.96Å; P600-F697 HydrophobicContact CG-CB 3.75Å; P600-F697 HydrophobicContact CG-CD1 4.21Å; P600-F697 HydrophobicContact CG-CG 3.97Å
601	E	96.6	Very high	94.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-36.1	174.2	-58.4	-49.3	114.6	0	0	112.1	A453 V456 T457 S462 M463 F464 W465 Y476 P599 A605	A453-E601 HydrophobicContact CB-CB 3.94Å; V456-E601 HydrophobicContact CG1-CG 4.25Å; T457-E601 WeakPolarHBondContact OG1-CG 3.2Å; S462-E601 WeakPolarHBondContact CA-OE1 3.4Å; M463-E601 PolarHBondContact N-OE1 2.66Å; F464-E601 VanDerWaalsContact CE1-OE2 3.3Å; F464-E601 WeakPolarHBondContact CE1-OE2 3.28Å; W465-E601 PolarHBondContact NE1-OE1 3.34Å; W465-E601 PolarHBondContact NE1-OE2 3.31Å; Y476-E601 PolarHBondContact OH-OE2 2.71Å; P599-E601 VanDerWaalsContact C-N 3.32Å; P599-E601 PolarHBondContact O-N 3.5Å; E601-A605 WeakPolarHBondContact O-CB 3.5Å; E601-A605 PolarHBondContact O-N 2.92Å
602	V	96.9	Very high	95	Very high	67 Å²	67	27.6 Å²	27.6	41%	0.406	15%	0.152	S	C	.	.	H	α-helix	trans	-67.8	-44.7	178.4	173.8	0	0	0	0	110.2	L450 P599 P600 S606	L450-V602 HydrophobicContact CD2-CB 4.47Å; L450-V602 HydrophobicContact CD2-CG1 3.98Å; P599-V602 HydrophobicContact CB-CB 4.3Å; P599-V602 HydrophobicContact CB-CG2 3.97Å; P599-V602 PolarHBondContact O-N 3.29Å; P600-V602 VanDerWaalsContact C-N 3.31Å; P600-V602 PolarHBondContact O-N 2.96Å; V602-S606 VanDerWaalsContact O-CB 3.24Å; V602-S606 WeakPolarHBondContact O-CB 3.46Å; V602-S606 PolarHBondContact O-N 2.83Å; V602-S606 PolarHBondContact O-OG 2.7Å
603	V	96.7	Very high	95.1	Very high	37 Å²	37	28 Å²	28	22%	0.224	15%	0.154	C	C	.	.	H	α-helix	trans	-61.4	-54.1	178.1	178.7	0	0	0	0	110	M591 I598 P599 P600 S606 L607	M591-V603 HydrophobicContact CE-CG1 4.21Å; M591-V603 HydrophobicContact SD-CB 3.8Å; M591-V603 HydrophobicContact SD-CG1 3.86Å; M591-V603 HydrophobicContact SD-CG2 3.91Å; I598-V603 HydrophobicContact CG2-CG2 4.04Å; P599-V603 PolarHBondContact O-N 2.93Å; P600-V603 PolarHBondContact O-N 3.38Å; V603-S606 PolarHBondContact O-N 3.22Å; V603-L607 HydrophobicContact CG1-CD1 4.03Å; V603-L607 HydrophobicContact CG1-CG 4.46Å; V603-L607 WeakPolarHBondContact O-CG 3.21Å; V603-L607 PolarHBondContact O-N 2.9Å
604	M	97.5	Very high	95.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.9	-40.5	-176.5	-65.4	-50.9	-72.5	0	0	113.3	W465 F469 F584 T588 M591 P600 S606 L607 V608	W465-M604 HydrophobicContact CD2-CB 4.41Å; W465-M604 HydrophobicContact CD2-CE 4.49Å; W465-M604 HydrophobicContact CD2-CG 3.92Å; W465-M604 VanDerWaalsContact CE2-CG 3.46Å; W465-M604 HydrophobicContact CE3-CE 4.02Å; W465-M604 HydrophobicContact CE3-CG 4.04Å; W465-M604 HydrophobicContact CH2-CG 3.33Å; W465-M604 HydrophobicContact CH2-SD 4.06Å; W465-M604 HydrophobicContact CZ2-CB 4.05Å; W465-M604 HydrophobicContact CZ2-CG 3.17Å; W465-M604 HydrophobicContact CZ2-SD 4.45Å; W465-M604 HydrophobicContact CZ3-CE 4.04Å; W465-M604 HydrophobicContact CZ3-CG 3.78Å; W465-M604 HydrophobicContact CZ3-SD 4.13Å; F469-M604 HydrophobicContact CD2-CE 4.26Å; F469-M604 HydrophobicContact CE2-CE 3.62Å; F584-M604 HydrophobicContact CD1-CE 3.82Å; F584-M604 HydrophobicContact CE1-CE 4.02Å; T588-M604 WeakPolarHBondContact OG1-CE 3.28Å; M591-M604 HydrophobicContact CG-CG 4.45Å; M591-M604 HydrophobicContact CG-SD 4.26Å; P600-M604 WeakPolarHBondContact O-CG 3.38Å; P600-M604 PolarHBondContact O-N 2.96Å; M604-S606 VanDerWaalsContact C-N 3.27Å; M604-S606 PolarHBondContact O-N 2.75Å; M604-L607 PolarHBondContact O-N 3.29Å; M604-L607 HydrophobicContact SD-CD1 4.2Å; M604-V608 WeakPolarHBondContact O-CB 3.31Å; M604-V608 VanDerWaalsContact O-CG2 3.3Å; M604-V608 WeakPolarHBondContact O-CG2 3.36Å; M604-V608 PolarHBondContact O-N 2.93Å
605	A	98.1	Very high	95.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-40	173.7	0	0	0	0	0	111.9	V449 L450 A453 Y476 E601 T609	V449-A605 HydrophobicContact CG1-CB 3.87Å; L450-A605 HydrophobicContact CD2-CB 4.32Å; A453-A605 HydrophobicContact CB-CB 3.8Å; Y476-A605 HydrophobicContact CD1-CB 4.35Å; Y476-A605 HydrophobicContact CD2-CB 4.26Å; Y476-A605 HydrophobicContact CE1-CB 4.35Å; Y476-A605 HydrophobicContact CE2-CB 4.26Å; Y476-A605 HydrophobicContact CG-CB 4.31Å; E601-A605 WeakPolarHBondContact O-CB 3.5Å; E601-A605 PolarHBondContact O-N 2.92Å; A605-T609 VanDerWaalsContact O-CB 3.27Å; A605-T609 WeakPolarHBondContact O-CB 3.42Å; A605-T609 PolarHBondContact O-N 3.22Å; A605-T609 PolarHBondContact O-OG1 2.68Å
606	S	98.2	Very high	95.7	Very high	39 Å²	39	29.1 Å²	29.1	27%	0.273	16%	0.162	S	C	.	.	H	α-helix	trans	-67.8	-46.6	177.9	-59.6	0	0	0	0	111.6	V602 V603 M604 T609 L610	V602-S606 VanDerWaalsContact O-CB 3.24Å; V602-S606 WeakPolarHBondContact O-CB 3.46Å; V602-S606 PolarHBondContact O-N 2.83Å; V602-S606 PolarHBondContact O-OG 2.7Å; V603-S606 PolarHBondContact O-N 3.22Å; M604-S606 VanDerWaalsContact C-N 3.27Å; M604-S606 PolarHBondContact O-N 2.75Å; S606-T609 PolarHBondContact O-N 3.14Å; S606-L610 VanDerWaalsContact O-CB 3.3Å; S606-L610 WeakPolarHBondContact O-CB 3.5Å; S606-L610 PolarHBondContact O-N 3.03Å
607	L	97.4	Very high	95.8	Very high	34 Å²	34	29.2 Å²	29.2	18%	0.178	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-44.8	177.8	-70	177.2	0	0	0	112	V583 F584 F587 V603 M604 L610 T611	V583-L607 HydrophobicContact CG1-CD1 4.29Å; V583-L607 HydrophobicContact CG1-CD2 4.08Å; F584-L607 HydrophobicContact CE1-CB 3.76Å; F584-L607 HydrophobicContact CZ-CB 4.05Å; F587-L607 HydrophobicContact CB-CD1 3.84Å; F587-L607 HydrophobicContact CD1-CD1 4.24Å; F587-L607 HydrophobicContact CG-CD1 3.98Å; V603-L607 HydrophobicContact CG1-CD1 4.03Å; V603-L607 HydrophobicContact CG1-CG 4.46Å; V603-L607 WeakPolarHBondContact O-CG 3.21Å; V603-L607 PolarHBondContact O-N 2.9Å; M604-L607 PolarHBondContact O-N 3.29Å; M604-L607 HydrophobicContact SD-CD1 4.2Å; L607-L610 PolarHBondContact O-N 3.44Å; L607-T611 WeakPolarHBondContact O-CB 3.29Å; L607-T611 PolarHBondContact O-N 3.12Å; L607-T611 PolarHBondContact O-OG1 2.88Å
608	V	98.3	Very high	96.1	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-63.5	-44.4	175.4	173.7	0	0	0	0	110.7	I473 F584 M604 T611 I612	I473-V608 HydrophobicContact CD1-CG1 4.32Å; I473-V608 HydrophobicContact CD1-CG2 4.15Å; F584-V608 HydrophobicContact CE1-CG2 3.87Å; F584-V608 HydrophobicContact CZ-CG2 3.83Å; M604-V608 WeakPolarHBondContact O-CB 3.31Å; M604-V608 VanDerWaalsContact O-CG2 3.3Å; M604-V608 WeakPolarHBondContact O-CG2 3.36Å; M604-V608 PolarHBondContact O-N 2.93Å; V608-T611 WeakPolarHBondContact O-CB 3.24Å; V608-T611 PolarHBondContact O-N 3.41Å; V608-I612 WeakPolarHBondContact O-CG1 3.23Å; V608-I612 PolarHBondContact O-N 3.35Å
609	T	98.3	Very high	96.3	Very high	3 Å²	3	24 Å²	24	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-44.7	178.9	-57.9	0	0	0	0	111.8	T445 L446 A480 A605 S606 T611 I612 V613	T445-T609 HydrophobicContact CG2-CG2 4.08Å; L446-T609 HydrophobicContact CB-CG2 4.25Å; L446-T609 HydrophobicContact CD1-CG2 4.17Å; A480-T609 HydrophobicContact CB-CG2 4.37Å; A605-T609 VanDerWaalsContact O-CB 3.27Å; A605-T609 WeakPolarHBondContact O-CB 3.42Å; A605-T609 PolarHBondContact O-N 3.22Å; A605-T609 PolarHBondContact O-OG1 2.68Å; S606-T609 PolarHBondContact O-N 3.14Å; T609-T611 VanDerWaalsContact C-N 3.29Å; T609-T611 PolarHBondContact O-N 2.83Å; T609-I612 PolarHBondContact O-N 2.88Å; T609-V613 HydrophobicContact CG2-CG2 4.33Å; T609-V613 WeakPolarHBondContact O-CG2 3.22Å; T609-V613 PolarHBondContact O-N 3.47Å
610	L	97	Very high	96.3	Very high	78 Å²	78	21.7 Å²	21.7	41%	0.408	12%	0.12	S	C	.	.	H	α-helix	trans	-60.5	-42	177.5	-170.5	65.7	0	0	0	111.1	S606 L607 I612 V613 F614	S606-L610 VanDerWaalsContact O-CB 3.3Å; S606-L610 WeakPolarHBondContact O-CB 3.5Å; S606-L610 PolarHBondContact O-N 3.03Å; L607-L610 PolarHBondContact O-N 3.44Å; L610-I612 PolarHBondContact O-N 2.94Å; L610-V613 PolarHBondContact O-N 2.87Å; L610-F614 HydrophobicContact CD1-CD1 4.28Å; L610-F614 HydrophobicContact CD1-CD2 4.35Å; L610-F614 HydrophobicContact CD1-CE1 3.58Å; L610-F614 HydrophobicContact CD1-CE2 3.67Å; L610-F614 HydrophobicContact CD1-CZ 3.23Å; L610-F614 HydrophobicContact CD2-CE2 3.82Å; L610-F614 HydrophobicContact CD2-CZ 4.11Å; L610-F614 HydrophobicContact CG-CD2 3.99Å; L610-F614 HydrophobicContact CG-CE1 4.27Å; L610-F614 HydrophobicContact CG-CE2 3.49Å; L610-F614 VanDerWaalsContact CG-CE2 3.49Å; L610-F614 HydrophobicContact CG-CZ 3.66Å; L610-F614 WeakPolarHBondContact O-CG 3.47Å; L610-F614 PolarHBondContact O-N 3.25Å
611	T	96.7	Very high	96.2	Very high	18 Å²	18	21.6 Å²	21.6	11%	0.11	12%	0.12	C	C	.	.	H	α-helix	trans	-56.4	-49.4	173.8	-60.3	0	0	0	0	111.6	F580 F584 L607 V608 T609 F614 L615	F580-T611 HydrophobicContact CB-CG2 4.4Å; F580-T611 HydrophobicContact CD1-CG2 4.03Å; F580-T611 VanDerWaalsContact CD1-OG1 3.24Å; F580-T611 WeakPolarHBondContact CD1-OG1 3.29Å; F580-T611 HydrophobicContact CD2-CG2 3.65Å; F580-T611 HydrophobicContact CE1-CG2 4.15Å; F580-T611 VanDerWaalsContact CE1-OG1 3.29Å; F580-T611 WeakPolarHBondContact CE1-OG1 3.13Å; F580-T611 HydrophobicContact CE2-CG2 3.74Å; F580-T611 HydrophobicContact CG-CG2 3.79Å; F580-T611 VanDerWaalsContact CZ-CA 3.42Å; F580-T611 HydrophobicContact CZ-CG2 3.99Å; F584-T611 HydrophobicContact CE2-CG2 4.37Å; F584-T611 WeakPolarHBondContact CE2-OG1 3.39Å; L607-T611 WeakPolarHBondContact O-CB 3.29Å; L607-T611 PolarHBondContact O-N 3.12Å; L607-T611 PolarHBondContact O-OG1 2.88Å; V608-T611 WeakPolarHBondContact O-CB 3.24Å; V608-T611 PolarHBondContact O-N 3.41Å; T609-T611 VanDerWaalsContact C-N 3.29Å; T609-T611 PolarHBondContact O-N 2.83Å; T611-F614 PolarHBondContact O-N 2.91Å; T611-L615 HydrophobicContact CG2-CD1 3.83Å; T611-L615 HydrophobicContact CG2-CG 4.45Å; T611-L615 WeakPolarHBondContact O-CB 3.48Å; T611-L615 WeakPolarHBondContact O-CG 3.34Å; T611-L615 PolarHBondContact O-N 2.83Å
612	I	96.8	Very high	96	Very high	32 Å²	32	21.9 Å²	21.9	16%	0.164	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-41.2	178.6	-65.1	-62.4	0	0	0	111.6	A480 T481 V608 T609 L610 S616	A480-I612 HydrophobicContact CB-CB 4.11Å; A480-I612 HydrophobicContact CB-CG1 4.24Å; A480-I612 HydrophobicContact CB-CG2 3.93Å; T481-I612 WeakPolarHBondContact OG1-CG2 3.23Å; V608-I612 WeakPolarHBondContact O-CG1 3.23Å; V608-I612 PolarHBondContact O-N 3.35Å; T609-I612 PolarHBondContact O-N 2.88Å; L610-I612 PolarHBondContact O-N 2.94Å; I612-S616 WeakPolarHBondContact O-CB 3.47Å; I612-S616 PolarHBondContact O-N 3.31Å; I612-S616 PolarHBondContact O-OG 3.38Å
613	V	96.1	Very high	95.9	Very high	9 Å²	9	19.5 Å²	19.5	6%	0.055	11%	0.107	C	C	.	.	H	α-helix	trans	-60.5	-48	177.7	165.8	0	0	0	0	110.8	W442 T609 L610 S616 S617	W442-V613 HydrophobicContact CB-CG1 4.5Å; W442-V613 HydrophobicContact CB-CG2 4.35Å; W442-V613 HydrophobicContact CD2-CG1 3.55Å; W442-V613 HydrophobicContact CE3-CG1 4.05Å; W442-V613 HydrophobicContact CG-CG1 3.76Å; W442-V613 HydrophobicContact CG-CG2 4.17Å; W442-V613 HydrophobicContact CH2-CG1 4.41Å; W442-V613 HydrophobicContact CZ2-CG1 4Å; W442-V613 HydrophobicContact CZ3-CG1 4.45Å; T609-V613 HydrophobicContact CG2-CG2 4.33Å; T609-V613 WeakPolarHBondContact O-CG2 3.22Å; T609-V613 PolarHBondContact O-N 3.47Å; L610-V613 PolarHBondContact O-N 2.87Å; V613-S616 PolarHBondContact O-OG 3.35Å; V613-S617 PolarHBondContact O-N 3.45Å; V613-S617 VanDerWaalsContact O-N 3.16Å
614	F	95.2	Very high	95.7	Very high	54 Å²	54	17.7 Å²	17.7	24%	0.237	10%	0.096	C	C	.	.	H	α-helix	trans	-69	-43.8	-178.8	-66	-14.1	0	0	0	112.6	W516 F576 F580 L610 T611 S617	W516-F614 HydrophobicContact CH2-CB 4.11Å; W516-F614 AromaticContact CH2-CD1 3.99Å; W516-F614 HydrophobicContact CH2-CD1 3.99Å; W516-F614 HydrophobicContact CH2-CD2 4.32Å; W516-F614 HydrophobicContact CH2-CE1 4.48Å; W516-F614 AromaticContact CH2-CG 3.9Å; W516-F614 HydrophobicContact CH2-CG 3.9Å; W516-F614 HydrophobicContact CZ2-CB 3.99Å; W516-F614 HydrophobicContact CZ2-CD1 4.12Å; W516-F614 HydrophobicContact CZ2-CG 4.15Å; F576-F614 HydrophobicContact CE1-CB 4.14Å; F576-F614 AromaticContact CE1-CD2 3.7Å; F576-F614 HydrophobicContact CE1-CD2 3.7Å; F576-F614 HydrophobicContact CE1-CG 4.36Å; F576-F614 HydrophobicContact CZ-CB 4.13Å; F576-F614 AromaticContact CZ-CD2 3.61Å; F576-F614 HydrophobicContact CZ-CD2 3.61Å; F576-F614 HydrophobicContact CZ-CE2 4.32Å; F576-F614 HydrophobicContact CZ-CG 4.15Å; F580-F614 HydrophobicContact CE1-CD2 4.31Å; F580-F614 HydrophobicContact CE2-CB 4.45Å; F580-F614 HydrophobicContact CZ-CB 3.96Å; F580-F614 AromaticContact CZ-CD2 3.81Å; F580-F614 HydrophobicContact CZ-CD2 3.81Å; F580-F614 HydrophobicContact CZ-CG 4.37Å; L610-F614 HydrophobicContact CD1-CD1 4.28Å; L610-F614 HydrophobicContact CD1-CD2 4.35Å; L610-F614 HydrophobicContact CD1-CE1 3.58Å; L610-F614 HydrophobicContact CD1-CE2 3.67Å; L610-F614 HydrophobicContact CD1-CZ 3.23Å; L610-F614 HydrophobicContact CD2-CE2 3.82Å; L610-F614 HydrophobicContact CD2-CZ 4.11Å; L610-F614 HydrophobicContact CG-CD2 3.99Å; L610-F614 HydrophobicContact CG-CE1 4.27Å; L610-F614 HydrophobicContact CG-CE2 3.49Å; L610-F614 VanDerWaalsContact CG-CE2 3.49Å; L610-F614 HydrophobicContact CG-CZ 3.66Å; L610-F614 WeakPolarHBondContact O-CG 3.47Å; L610-F614 PolarHBondContact O-N 3.25Å; T611-F614 PolarHBondContact O-N 2.91Å; F614-S617 PolarHBondContact O-OG 2.87Å
615	L	93.9	Very high	95.4	Very high	27 Å²	27	17.7 Å²	17.7	14%	0.141	10%	0.096	C	C	.	.	H	α-helix	trans	-70.3	-32.7	177.9	-66	177.8	0	0	0	112.3	Y573 F576 M577 F580 T611	Y573-L615 HydrophobicContact CD1-CD2 4.02Å; Y573-L615 HydrophobicContact CE1-CB 4.43Å; Y573-L615 HydrophobicContact CE1-CD2 4.21Å; Y573-L615 WeakPolarHBondContact CE1-O 3.31Å; Y573-L615 PolarHBondContact OH-O 3.48Å; F576-L615 HydrophobicContact CB-CD2 4.48Å; M577-L615 HydrophobicContact CG-CD1 4.47Å; M577-L615 HydrophobicContact CG-CD2 4.05Å; F580-L615 HydrophobicContact CD2-CD1 4.28Å; F580-L615 HydrophobicContact CD2-CD2 4.32Å; F580-L615 HydrophobicContact CD2-CG 4.29Å; F580-L615 HydrophobicContact CE2-CD1 4.22Å; F580-L615 HydrophobicContact CE2-CD2 3.95Å; F580-L615 HydrophobicContact CE2-CG 3.79Å; T611-L615 HydrophobicContact CG2-CD1 3.83Å; T611-L615 HydrophobicContact CG2-CG 4.45Å; T611-L615 WeakPolarHBondContact O-CB 3.48Å; T611-L615 WeakPolarHBondContact O-CG 3.34Å; T611-L615 PolarHBondContact O-N 2.83Å
616	S	93.8	Very high	95	Very high	20 Å²	20	18 Å²	18	14%	0.14	10%	0.097	C	C	.	.	H	α-helix	trans	-85.6	-10.6	-177.9	68.7	0	0	0	0	114.6	I612 V613 Y618 F619 L620	I612-S616 WeakPolarHBondContact O-CB 3.47Å; I612-S616 PolarHBondContact O-N 3.31Å; I612-S616 PolarHBondContact O-OG 3.38Å; V613-S616 PolarHBondContact O-OG 3.35Å; S616-Y618 PolarHBondContact O-N 2.93Å; S616-F619 CarbonylContact O-C 3.54Å; S616-F619 WeakPolarHBondContact O-CA 3.45Å; S616-F619 WeakPolarHBondContact O-CB 3.3Å; S616-F619 PolarHBondContact O-N 2.95Å; S616-L620 PolarHBondContact O-N 3.2Å
617	S	94	Very high	94.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-52.5	-55	-173.6	72.4	0	0	0	0	112.3	S512 W516 V613 F614 F619 L620	S512-S617 PolarHBondContact OG-O 3.47Å; W516-S617 PolarHBondContact NE1-OG 3.06Å; V613-S617 PolarHBondContact O-N 3.45Å; V613-S617 VanDerWaalsContact O-N 3.16Å; F614-S617 PolarHBondContact O-OG 2.87Å; S617-F619 VanDerWaalsContact C-N 3.25Å; S617-F619 PolarHBondContact O-N 3.33Å; S617-L620 WeakPolarHBondContact O-CB 2.96Å; S617-L620 WeakPolarHBondContact O-CG 3.15Å; S617-L620 PolarHBondContact O-N 3.41Å
618	Y	96.4	Very high	94.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-76	-10.6	177.8	-73.8	-71.8	0	0	0	113.9	F509 L513 W516 M537 P541 Y565 Y573 S616 H621	F509-Y618 AromaticContact CD2-CD1 4Å; F509-Y618 HydrophobicContact CD2-CD1 4Å; F509-Y618 HydrophobicContact CD2-CE1 4.16Å; F509-Y618 AromaticContact CE2-CD1 3.94Å; F509-Y618 HydrophobicContact CE2-CD1 3.94Å; F509-Y618 AromaticContact CE2-CE1 3.84Å; F509-Y618 HydrophobicContact CE2-CE1 3.84Å; F509-Y618 HydrophobicContact CZ-CE1 4.35Å; L513-Y618 WeakPolarHBondContact CA-OH 3.45Å; W516-Y618 AromaticContact CD1-CE2 3.46Å; W516-Y618 VanDerWaalsContact CD1-CE2 3.46Å; W516-Y618 AromaticContact CD1-CZ 3.85Å; W516-Y618 HydrophobicContact CG-CE2 4.42Å; W516-Y618 AromaticContact NE1-CE2 3.72Å; M537-Y618 VanDerWaalsContact O-CE2 3.3Å; M537-Y618 WeakPolarHBondContact O-CE2 3.46Å; M537-Y618 PolarHBondContact O-OH 3.26Å; P541-Y618 HydrophobicContact CB-CD1 4.2Å; P541-Y618 HydrophobicContact CB-CE1 3.61Å; P541-Y618 HydrophobicContact CB-CE2 4.18Å; P541-Y618 HydrophobicContact CG-CD2 4.2Å; P541-Y618 HydrophobicContact CG-CE1 4.05Å; P541-Y618 HydrophobicContact CG-CE2 3.66Å; Y565-Y618 PolarHBondContact OH-O 2.68Å; Y565-Y618 VanDerWaalsContact OH-O 3.09Å; Y573-Y618 HydrophobicContact CE2-CD2 4.41Å; S616-Y618 PolarHBondContact O-N 2.93Å; Y618-H621 WeakPolarHBondContact O-CB 3.19Å
619	F	95.5	Very high	93.8	Very high	27 Å²	27	24.9 Å²	24.9	12%	0.118	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-83	-18.3	173.1	-62.2	-12.3	0	0	0	112.8	L60 F63 V64 L566 L569 Y573 S616 S617 H621 F622	L60-F619 HydrophobicContact CD1-CB 4.47Å; L60-F619 HydrophobicContact CD1-CG 4.48Å; L60-F619 HydrophobicContact CD2-CD1 3.85Å; L60-F619 HydrophobicContact CD2-CD2 4.41Å; L60-F619 HydrophobicContact CD2-CE1 3.97Å; L60-F619 HydrophobicContact CD2-CG 4.1Å; L60-F619 HydrophobicContact CD2-CZ 4.3Å; F63-F619 HydrophobicContact CD1-CE1 4.34Å; F63-F619 AromaticContact CD1-CZ 3.83Å; F63-F619 HydrophobicContact CD1-CZ 3.83Å; F63-F619 HydrophobicContact CE1-CE1 4.24Å; F63-F619 AromaticContact CE1-CZ 3.91Å; F63-F619 HydrophobicContact CE1-CZ 3.91Å; V64-F619 HydrophobicContact CG2-CE2 3.86Å; V64-F619 HydrophobicContact CG2-CZ 4.17Å; L566-F619 HydrophobicContact CD2-CE1 3.94Å; L569-F619 HydrophobicContact CD1-CE1 4.46Å; Y573-F619 HydrophobicContact CD1-CZ 4.16Å; Y573-F619 AromaticContact CE1-CE1 3.82Å; Y573-F619 HydrophobicContact CE1-CE1 3.82Å; Y573-F619 HydrophobicContact CE1-CE2 4.1Å; Y573-F619 AromaticContact CE1-CZ 3.51Å; Y573-F619 HydrophobicContact CE1-CZ 3.51Å; Y573-F619 AromaticContact CZ-CE1 3.91Å; S616-F619 CarbonylContact O-C 3.54Å; S616-F619 WeakPolarHBondContact O-CA 3.45Å; S616-F619 WeakPolarHBondContact O-CB 3.3Å; S616-F619 PolarHBondContact O-N 2.95Å; S617-F619 VanDerWaalsContact C-N 3.25Å; S617-F619 PolarHBondContact O-N 3.33Å; F619-H621 PolarHBondContact O-N 3.46Å; F619-H621 VanDerWaalsContact O-N 3.15Å; F619-F622 WeakPolarHBondContact O-CB 3.37Å; F619-F622 PolarHBondContact O-N 3.33Å
620	L	93.4	Very high	93.6	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-53.9	-33.7	170.8	-65.6	-178.4	0	0	0	111.7	M484 H488 S616 S617 F622 V623 Y624	M484-L620 HydrophobicContact CE-CD1 4.26Å; M484-L620 HydrophobicContact CE-CD2 4.01Å; H488-L620 WeakPolarHBondContact CD2-CD2 3.5Å; S616-L620 PolarHBondContact O-N 3.2Å; S617-L620 WeakPolarHBondContact O-CB 2.96Å; S617-L620 WeakPolarHBondContact O-CG 3.15Å; S617-L620 PolarHBondContact O-N 3.41Å; L620-F622 PolarHBondContact O-N 2.89Å; L620-V623 WeakPolarHBondContact O-CB 3.4Å; L620-V623 PolarHBondContact O-N 2.81Å; L620-Y624 VanDerWaalsContact O-CD2 3.31Å; L620-Y624 WeakPolarHBondContact O-CD2 3.45Å; L620-Y624 PolarHBondContact O-N 2.86Å
621	H	93.4	Very high	93.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-46	-44.8	170	-177.9	66.4	0	0	0	112.5	G505 F552 Y561 Y618 F619 L625	G505-H621 PolarHBondContact O-CE1 3.08Å; G505-H621 PolarHBondContact O-ND1 2.85Å; F552-H621 AromaticContact CE2-CE1 3.9Å; F552-H621 AromaticContact CE2-NE2 3.85Å; F552-H621 AromaticContact CZ-CE1 3.67Å; Y561-H621 AromaticContact CE1-NE2 3.59Å; Y561-H621 AromaticContact CZ-NE2 3.79Å; Y561-H621 PolarHBondContact OH-NE2 3.12Å; Y561-H621 VanDerWaalsContact OH-NE2 3.09Å; Y618-H621 WeakPolarHBondContact O-CB 3.19Å; F619-H621 PolarHBondContact O-N 3.46Å; F619-H621 VanDerWaalsContact O-N 3.15Å; H621-L625 WeakPolarHBondContact NE2-CD1 3.37Å; H621-L625 VanDerWaalsContact O-CG 3.31Å; H621-L625 WeakPolarHBondContact O-CG 3.48Å; H621-L625 PolarHBondContact O-N 3.07Å
622	F	93.5	Very high	93.4	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-75.3	-30.6	-178.1	-67	-73.7	0	0	0	113.4	L51 L60 Y565 L566 F619 L620 Y624 L625 V626	L51-F622 HydrophobicContact CD1-CD1 3.66Å; L51-F622 HydrophobicContact CD1-CE1 3.99Å; L60-F622 HydrophobicContact CD1-CB 4.17Å; L60-F622 HydrophobicContact CD1-CD2 4.19Å; L60-F622 HydrophobicContact CD1-CG 4.34Å; L60-F622 HydrophobicContact CD2-CD2 3.73Å; L60-F622 HydrophobicContact CD2-CE2 3.8Å; L60-F622 HydrophobicContact CD2-CG 4.44Å; L60-F622 HydrophobicContact CG-CD2 4.46Å; Y565-F622 AromaticContact CD1-CE2 3.7Å; Y565-F622 HydrophobicContact CD1-CE2 3.7Å; Y565-F622 AromaticContact CD1-CZ 3.57Å; Y565-F622 HydrophobicContact CD1-CZ 3.57Å; Y565-F622 AromaticContact CE1-CE2 3.6Å; Y565-F622 HydrophobicContact CE1-CE2 3.6Å; Y565-F622 AromaticContact CE1-CZ 3.93Å; Y565-F622 HydrophobicContact CE1-CZ 3.93Å; Y565-F622 HydrophobicContact CG-CZ 4.42Å; L566-F622 HydrophobicContact CD2-CE2 4.07Å; L566-F622 HydrophobicContact CD2-CZ 4.37Å; L566-F622 HydrophobicContact CG-CZ 4.44Å; F619-F622 WeakPolarHBondContact O-CB 3.37Å; F619-F622 PolarHBondContact O-N 3.33Å; L620-F622 PolarHBondContact O-N 2.89Å; F622-Y624 PolarHBondContact O-N 3.14Å; F622-L625 PolarHBondContact O-N 3.13Å; F622-V626 WeakPolarHBondContact O-CG2 3.32Å; F622-V626 PolarHBondContact O-N 3.25Å
623	V	93.3	Very high	93.4	Very high	16 Å²	16	39.6 Å²	39.6	10%	0.097	18%	0.177	C	C	.	.	H	α-helix	trans	-57.1	-39.6	175.7	178.8	0	0	0	0	110.9	I485 H488 K492 L620 T629	I485-V623 HydrophobicContact CG1-CG2 4.46Å; H488-V623 HydrophobicContact CB-CG1 3.93Å; K492-V623 PolarHBondContact NZ-O 2.65Å; L620-V623 WeakPolarHBondContact O-CB 3.4Å; L620-V623 PolarHBondContact O-N 2.81Å; V623-T629 HydrophobicContact CG1-CG2 4.33Å
624	Y	92.1	Very high	93.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-77.2	-27.1	176.7	-68.8	-81.6	0	0	0	113.2	H488 K492 Y496 L501 L504 Y508 L620 F622	H488-Y624 HydrophobicContact CB-CE2 4.07Å; H488-Y624 AromaticContact ND1-CE2 3.7Å; H488-Y624 AromaticContact ND1-CZ 3.75Å; H488-Y624 PolarHBondContact ND1-OH 3.29Å; H488-Y624 PolarHBondContact O-OH 3.32Å; K492-Y624 HydrophobicContact CB-CD1 4Å; K492-Y624 HydrophobicContact CB-CE1 3.71Å; K492-Y624 HydrophobicContact CD-CD1 4.38Å; K492-Y624 HydrophobicContact CG-CD1 4.12Å; K492-Y624 HydrophobicContact CG-CE1 4.34Å; Y496-Y624 HydrophobicContact CD2-CE1 4.35Å; L501-Y624 WeakPolarHBondContact CB-O 3.27Å; L504-Y624 HydrophobicContact CB-CD1 3.72Å; L504-Y624 HydrophobicContact CB-CG 4.03Å; L504-Y624 HydrophobicContact CD1-CD1 3.93Å; L504-Y624 HydrophobicContact CD1-CE1 4.46Å; L504-Y624 HydrophobicContact CG-CD1 4.38Å; Y508-Y624 HydrophobicContact CD1-CD2 4.4Å; Y508-Y624 AromaticContact CD1-CE2 3.7Å; Y508-Y624 HydrophobicContact CD1-CE2 3.7Å; Y508-Y624 HydrophobicContact CD2-CD1 4.32Å; Y508-Y624 AromaticContact CD2-CD2 3.49Å; Y508-Y624 HydrophobicContact CD2-CD2 3.49Å; Y508-Y624 VanDerWaalsContact CD2-CD2 3.49Å; Y508-Y624 HydrophobicContact CD2-CE1 4.06Å; Y508-Y624 AromaticContact CD2-CE2 3.21Å; Y508-Y624 HydrophobicContact CD2-CE2 3.21Å; Y508-Y624 HydrophobicContact CD2-CG 4.07Å; Y508-Y624 AromaticContact CD2-CZ 3.53Å; Y508-Y624 AromaticContact CE1-CE2 3.85Å; Y508-Y624 HydrophobicContact CE1-CE2 3.85Å; Y508-Y624 HydrophobicContact CE2-CD1 4.37Å; Y508-Y624 HydrophobicContact CE2-CD2 4.06Å; Y508-Y624 AromaticContact CE2-CE1 3.7Å; Y508-Y624 HydrophobicContact CE2-CE1 3.7Å; Y508-Y624 AromaticContact CE2-CE2 3.37Å; Y508-Y624 HydrophobicContact CE2-CE2 3.37Å; Y508-Y624 AromaticContact CE2-CZ 3.16Å; Y508-Y624 VanDerWaalsContact CE2-OH 3.3Å; Y508-Y624 WeakPolarHBondContact CE2-OH 3.28Å; Y508-Y624 AromaticContact CG-CD2 3.68Å; Y508-Y624 HydrophobicContact CG-CD2 3.68Å; Y508-Y624 AromaticContact CG-CE2 3.37Å; Y508-Y624 HydrophobicContact CG-CE2 3.37Å; Y508-Y624 AromaticContact CZ-CE2 3.68Å; Y508-Y624 AromaticContact CZ-CZ 3.45Å; Y508-Y624 VanDerWaalsContact CZ-CZ 3.45Å; Y508-Y624 PolarHBondContact OH-OH 2.92Å; Y508-Y624 VanDerWaalsContact OH-OH 3.08Å; L620-Y624 VanDerWaalsContact O-CD2 3.31Å; L620-Y624 WeakPolarHBondContact O-CD2 3.45Å; L620-Y624 PolarHBondContact O-N 2.86Å; F622-Y624 PolarHBondContact O-N 3.14Å
625	L	91.2	Very high	93.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-87.4	-12	-180	-67.2	175.7	0	0	0	115.4	L50 L51 V502 F552 A557 H621 F622	L50-L625 WeakPolarHBondContact CD2-O 3.26Å; L51-L625 PolarHBondContact N-O 3.48Å; L51-L625 VanDerWaalsContact N-O 3.13Å; V502-L625 HydrophobicContact CB-CD2 4.47Å; V502-L625 HydrophobicContact CG2-CD2 4.25Å; F552-L625 HydrophobicContact CE2-CD1 3.99Å; F552-L625 HydrophobicContact CE2-CD2 4.33Å; F552-L625 HydrophobicContact CZ-CD1 4.33Å; F552-L625 HydrophobicContact CZ-CD2 4.17Å; A557-L625 HydrophobicContact CB-CB 3.97Å; A557-L625 HydrophobicContact CB-CD1 3.88Å; A557-L625 HydrophobicContact CB-CD2 4.24Å; A557-L625 HydrophobicContact CB-CG 4.26Å; H621-L625 WeakPolarHBondContact NE2-CD1 3.37Å; H621-L625 VanDerWaalsContact O-CG 3.31Å; H621-L625 WeakPolarHBondContact O-CG 3.48Å; H621-L625 PolarHBondContact O-N 3.07Å; F622-L625 PolarHBondContact O-N 3.13Å
626	V	91.2	Very high	93.7	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.03	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-87.5	148.9	176.8	173.7	0	0	0	0	110.3	L51 E53 A56 K492 F622 S628	L51-V626 HydrophobicContact CB-CG2 4Å; L51-V626 WeakPolarHBondContact O-CA 3.26Å; E53-V626 HydrophobicContact CB-CG1 3.99Å; E53-V626 HydrophobicContact CG-CG1 4.47Å; A56-V626 HydrophobicContact CB-CG2 3.34Å; K492-V626 PolarHBondContact NZ-O 3.27Å; F622-V626 WeakPolarHBondContact O-CG2 3.32Å; F622-V626 PolarHBondContact O-N 3.25Å; V626-S628 WeakPolarHBondContact CG1-O 3.25Å
627	R	85.8	Confident	93.9	Very high	173 Å²	173	42.6 Å²	42.6	65%	0.653	22%	0.216	S	C	*	.	S	Bend	trans	-71.5	-38.3	179	-65.6	-176.3	-178.1	-178.7	-1.6	114.3	L50 L51	L50-R627 HydrophobicContact CB-CG 4.1Å; L50-R627 HydrophobicContact CD1-CG 4.15Å; L51-R627 PolarHBondContact O-N 3.43Å
628	S	89.5	Confident	94.1	Very high	40 Å²	40	45.7 Å²	45.7	28%	0.28	24%	0.238	S	C	.	.			trans	-146.5	154.1	-178	-157.4	0	0	0	0	111.3	E53 V626 K630	E53-S628 WeakPolarHBondContact CB-O 3.23Å; E53-S628 VanDerWaalsContact CG-O 3.23Å; E53-S628 WeakPolarHBondContact CG-O 3.31Å; V626-S628 WeakPolarHBondContact CG1-O 3.25Å; S628-K630 WeakPolarHBondContact OG-CG 3.5Å
629	T	93.3	Very high	94.2	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.043	26%	0.255	C	S	.	.			trans	-125.6	10.9	178.9	49.4	0	0	0	0	111.9	E53 I485 T489 V623 L633	E53-T629 VanDerWaalsContact OE1-CA 3.23Å; E53-T629 WeakPolarHBondContact OE1-CA 3.46Å; I485-T629 HydrophobicContact CG2-CG2 4Å; T489-T629 WeakPolarHBondContact CG2-OG1 3.5Å; T489-T629 PolarHBondContact OG1-OG1 3.39Å; V623-T629 HydrophobicContact CG1-CG2 4.33Å; T629-L633 WeakPolarHBondContact O-CB 3.25Å; T629-L633 VanDerWaalsContact O-CG 3.26Å; T629-L633 WeakPolarHBondContact O-CG 3.35Å; T629-L633 PolarHBondContact O-N 3.41Å
630	K	94	Very high	94.3	Very high	157 Å²	157	49.8 Å²	49.8	68%	0.683	26%	0.26	S	S	*	.	H	α-helix	trans	-64.9	-42.8	-170.9	-69.4	178.7	179.9	-176	0	112.2	E53 S628 A634	E53-K630 PolarHBondContact OE1-N 3.23Å; E53-K630 VanDerWaalsContact OE1-N 3.16Å; S628-K630 WeakPolarHBondContact OG-CG 3.5Å; K630-A634 VanDerWaalsContact O-CB 3.3Å; K630-A634 WeakPolarHBondContact O-CB 3.44Å; K630-A634 PolarHBondContact O-N 3.11Å
631	W	94.4	Very high	94.6	Very high	204 Å²	204	53.1 Å²	53.1	77%	0.773	28%	0.281	S	S	*	.	H	α-helix	trans	-75.2	-36.7	-178.4	-68.3	106.6	0	0	0	111.8	E53 A634 A635	E53-W631 WeakPolarHBondContact OE1-CA 3.11Å; E53-W631 WeakPolarHBondContact OE1-CB 3.39Å; E53-W631 PolarHBondContact OE1-N 3.31Å; W631-A634 PolarHBondContact O-N 2.93Å; W631-A635 WeakPolarHBondContact O-CB 3.12Å; W631-A635 PolarHBondContact O-N 3.22Å
632	I	94.6	Very high	94.8	Very high	41 Å²	41	57.8 Å²	57.8	21%	0.21	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-47.6	173.1	-64.4	168.5	0	0	0	109.9	E53 A57 I485 A635 L636	E53-I632 HydrophobicContact CG-CD1 3.6Å; E53-I632 HydrophobicContact CG-CG1 3.76Å; E53-I632 WeakPolarHBondContact OE1-CG1 3.41Å; E53-I632 PolarHBondContact OE1-N 3.48Å; A57-I632 HydrophobicContact CB-CD1 4.09Å; A57-I632 HydrophobicContact CB-CG1 4.24Å; I485-I632 HydrophobicContact CD1-CG2 3.76Å; I632-A635 PolarHBondContact O-N 2.53Å; I632-L636 HydrophobicContact CG2-CD1 3.85Å; I632-L636 HydrophobicContact CG2-CG 4.45Å; I632-L636 WeakPolarHBondContact O-CB 3.28Å; I632-L636 WeakPolarHBondContact O-CG 3.24Å; I632-L636 PolarHBondContact O-N 2.99Å
633	L	96.6	Very high	95	Very high	38 Å²	38	58.3 Å²	58.3	20%	0.199	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-40.2	177.1	-73.9	171.6	0	0	0	112.2	G482 I485 L486 T629 G637	G482-L633 WeakPolarHBondContact O-CD2 3.24Å; I485-L633 HydrophobicContact CB-CD2 3.93Å; I485-L633 HydrophobicContact CG2-CD1 4.36Å; I485-L633 HydrophobicContact CG2-CD2 3.77Å; I485-L633 HydrophobicContact CG2-CG 3.92Å; L486-L633 HydrophobicContact CB-CD2 4Å; L486-L633 HydrophobicContact CD1-CD1 4.22Å; T629-L633 WeakPolarHBondContact O-CB 3.25Å; T629-L633 VanDerWaalsContact O-CG 3.26Å; T629-L633 WeakPolarHBondContact O-CG 3.35Å; T629-L633 PolarHBondContact O-N 3.41Å; L633-G637 PolarHBondContact O-N 3.38Å
634	A	97.1	Very high	95.3	Very high	50 Å²	50	60 Å²	60	41%	0.413	31%	0.314	S	S	.	.	H	α-helix	trans	-62.3	-46.8	175	0	0	0	0	0	111.4	K630 W631 G637 S638	K630-A634 VanDerWaalsContact O-CB 3.3Å; K630-A634 WeakPolarHBondContact O-CB 3.44Å; K630-A634 PolarHBondContact O-N 3.11Å; W631-A634 PolarHBondContact O-N 2.93Å; A634-G637 PolarHBondContact O-N 3.14Å; A634-S638 WeakPolarHBondContact O-CB 3.39Å; A634-S638 PolarHBondContact O-N 3.04Å; A634-S638 PolarHBondContact O-OG 3.06Å; A634-S638 VanDerWaalsContact O-OG 3.07Å
635	A	96.8	Very high	95.6	Very high	56 Å²	56	65 Å²	65	46%	0.463	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-48.1	178.8	0	0	0	0	0	112.3	W631 I632 G637 S638 V639	W631-A635 WeakPolarHBondContact O-CB 3.12Å; W631-A635 PolarHBondContact O-N 3.22Å; I632-A635 PolarHBondContact O-N 2.53Å; A635-G637 VanDerWaalsContact C-N 3.33Å; A635-G637 PolarHBondContact O-N 3.41Å; A635-S638 PolarHBondContact O-N 3.42Å; A635-V639 WeakPolarHBondContact O-CG2 3.36Å; A635-V639 PolarHBondContact O-N 3.2Å
636	L	97.5	Very high	95.9	Very high	37 Å²	37	67.8 Å²	67.8	19%	0.194	36%	0.355	C	S	.	.	H	α-helix	trans	-63.1	-39.8	176.6	-70.5	170.6	0	0	0	111.8	A478 T481 I485 I632 V639 F640	A478-L636 HydrophobicContact CB-CD2 4.29Å; T481-L636 HydrophobicContact CG2-CD1 3.83Å; I485-L636 HydrophobicContact CD1-CD1 3.92Å; I632-L636 HydrophobicContact CG2-CD1 3.85Å; I632-L636 HydrophobicContact CG2-CG 4.45Å; I632-L636 WeakPolarHBondContact O-CB 3.28Å; I632-L636 WeakPolarHBondContact O-CG 3.24Å; I632-L636 PolarHBondContact O-N 2.99Å; L636-V639 PolarHBondContact O-N 3.04Å; L636-F640 WeakPolarHBondContact O-CB 3.29Å; L636-F640 PolarHBondContact O-N 3.5Å
637	G	98	Very high	96.2	Very high	31 Å²	31	67.7 Å²	67.7	32%	0.32	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-43.5	173.9	0	0	0	0	0	112.3	L633 A634 A635 F640 V641	L633-G637 PolarHBondContact O-N 3.38Å; A634-G637 PolarHBondContact O-N 3.14Å; A635-G637 VanDerWaalsContact C-N 3.33Å; A635-G637 PolarHBondContact O-N 3.41Å; G637-F640 PolarHBondContact O-N 3.45Å; G637-V641 WeakPolarHBondContact O-CB 3.27Å; G637-V641 VanDerWaalsContact O-CG2 3.27Å; G637-V641 WeakPolarHBondContact O-CG2 3.33Å; G637-V641 PolarHBondContact O-N 3.17Å
638	S	98.1	Very high	96.7	Very high	66 Å²	66	60.9 Å²	60.9	46%	0.462	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-45.8	174.9	-64.3	0	0	0	0	112	A634 A635 F640 V641 I642	A634-S638 WeakPolarHBondContact O-CB 3.39Å; A634-S638 PolarHBondContact O-N 3.04Å; A634-S638 PolarHBondContact O-OG 3.06Å; A634-S638 VanDerWaalsContact O-OG 3.07Å; A635-S638 PolarHBondContact O-N 3.42Å; S638-F640 PolarHBondContact O-N 2.82Å; S638-V641 PolarHBondContact O-N 3.1Å; S638-I642 WeakPolarHBondContact O-CB 3.37Å; S638-I642 WeakPolarHBondContact O-CD1 3.33Å; S638-I642 WeakPolarHBondContact O-CG1 3.47Å; S638-I642 PolarHBondContact O-N 3.32Å
639	V	98.3	Very high	97.1	Very high	60 Å²	60	62 Å²	62	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-48	176	172	0	0	0	0	110.6	C474 A478 A635 L636 M643	C474-V639 HydrophobicContact CB-CG1 4Å; A478-V639 HydrophobicContact CB-CB 4.39Å; A478-V639 HydrophobicContact CB-CG1 4.04Å; A635-V639 WeakPolarHBondContact O-CG2 3.36Å; A635-V639 PolarHBondContact O-N 3.2Å; L636-V639 PolarHBondContact O-N 3.04Å; V639-M643 HydrophobicContact CG1-CG 4.4Å; V639-M643 VanDerWaalsContact O-CB 3.31Å; V639-M643 WeakPolarHBondContact O-CB 3.43Å; V639-M643 VanDerWaalsContact O-CG 3.28Å; V639-M643 WeakPolarHBondContact O-CG 3.38Å; V639-M643 PolarHBondContact O-N 3.21Å
640	F	98.5	Very high	97.2	Very high	52 Å²	52	63 Å²	63	23%	0.228	36%	0.356	C	S	.	.	H	α-helix	trans	-58.2	-50.8	177.2	169.1	-101.9	0	0	0	112.1	V452 L475 A478 A479 L636 G637 S638 M643 F644	V452-F640 HydrophobicContact CG1-CE2 4.02Å; V452-F640 HydrophobicContact CG1-CZ 4.46Å; V452-F640 HydrophobicContact CG2-CE2 3.85Å; V452-F640 HydrophobicContact CG2-CZ 3.87Å; L475-F640 HydrophobicContact CD1-CD2 3.79Å; L475-F640 HydrophobicContact CD1-CE2 3.7Å; A478-F640 HydrophobicContact CB-CB 4.36Å; A479-F640 HydrophobicContact CB-CD2 3.74Å; A479-F640 HydrophobicContact CB-CE2 3.92Å; L636-F640 WeakPolarHBondContact O-CB 3.29Å; L636-F640 PolarHBondContact O-N 3.5Å; G637-F640 PolarHBondContact O-N 3.45Å; S638-F640 PolarHBondContact O-N 2.82Å; F640-M643 PolarHBondContact O-N 2.96Å; F640-F644 VanDerWaalsContact O-CB 3.24Å; F640-F644 WeakPolarHBondContact O-CB 3.23Å; F640-F644 PolarHBondContact O-N 3.18Å
641	V	98.4	Very high	97.3	Very high	77 Å²	77	60.8 Å²	60.8	47%	0.467	35%	0.351	S	S	.	.	H	α-helix	trans	-63.1	-46.9	-177.9	169.7	0	0	0	0	111	G637 S638 F644 L645	G637-V641 WeakPolarHBondContact O-CB 3.27Å; G637-V641 VanDerWaalsContact O-CG2 3.27Å; G637-V641 WeakPolarHBondContact O-CG2 3.33Å; G637-V641 PolarHBondContact O-N 3.17Å; S638-V641 PolarHBondContact O-N 3.1Å; V641-F644 PolarHBondContact O-N 3.24Å; V641-L645 HydrophobicContact CG1-CD1 4.11Å; V641-L645 VanDerWaalsContact O-CG 3.29Å; V641-L645 WeakPolarHBondContact O-CG 3.43Å; V641-L645 PolarHBondContact O-N 3.42Å
642	I	98.4	Very high	97.4	Very high	97 Å²	97	52.1 Å²	52.1	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-59.5	-51.1	178.1	-69	166.3	0	0	0	109.6	S638 F644 L645 L646	S638-I642 WeakPolarHBondContact O-CB 3.37Å; S638-I642 WeakPolarHBondContact O-CD1 3.33Å; S638-I642 WeakPolarHBondContact O-CG1 3.47Å; S638-I642 PolarHBondContact O-N 3.32Å; I642-F644 PolarHBondContact O-N 3.48Å; I642-L645 PolarHBondContact O-N 2.94Å; I642-L646 HydrophobicContact CG2-CD1 3.83Å; I642-L646 HydrophobicContact CG2-CG 4.33Å; I642-L646 VanDerWaalsContact O-CG 3.27Å; I642-L646 WeakPolarHBondContact O-CG 3.39Å; I642-L646 PolarHBondContact O-N 3.41Å
643	M	98.3	Very high	97.5	Very high	18 Å²	18	53.7 Å²	53.7	9%	0.089	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-40.8	-179.5	-74.1	-56.9	-49.2	0	0	113.1	A471 C474 L475 V639 F640 L645 L646 V647 F652	A471-M643 HydrophobicContact CB-CE 3.61Å; C474-M643 HydrophobicContact CB-CE 4.38Å; C474-M643 HydrophobicContact CB-CG 3.49Å; C474-M643 VanDerWaalsContact CB-CG 3.49Å; C474-M643 HydrophobicContact CB-SD 4.02Å; L475-M643 HydrophobicContact CB-CB 4.38Å; L475-M643 HydrophobicContact CD1-CB 4.38Å; V639-M643 HydrophobicContact CG1-CG 4.4Å; V639-M643 VanDerWaalsContact O-CB 3.31Å; V639-M643 WeakPolarHBondContact O-CB 3.43Å; V639-M643 VanDerWaalsContact O-CG 3.28Å; V639-M643 WeakPolarHBondContact O-CG 3.38Å; V639-M643 PolarHBondContact O-N 3.21Å; F640-M643 PolarHBondContact O-N 2.96Å; M643-L645 VanDerWaalsContact C-N 3.31Å; M643-L645 PolarHBondContact O-N 3.09Å; M643-L646 PolarHBondContact O-N 3.42Å; M643-L646 HydrophobicContact SD-CD1 4.07Å; M643-V647 HydrophobicContact CE-CG2 4.5Å; M643-V647 WeakPolarHBondContact O-CB 3.27Å; M643-V647 VanDerWaalsContact O-CG2 3.3Å; M643-V647 WeakPolarHBondContact O-CG2 3.46Å; M643-V647 PolarHBondContact O-N 2.7Å; M643-F652 HydrophobicContact CE-CD2 4.47Å; M643-F652 HydrophobicContact CE-CE1 4.47Å; M643-F652 HydrophobicContact CE-CE2 3.47Å; M643-F652 VanDerWaalsContact CE-CE2 3.47Å; M643-F652 HydrophobicContact CE-CZ 3.47Å; M643-F652 VanDerWaalsContact CE-CZ 3.47Å; M643-F652 HydrophobicContact SD-CZ 4.33Å
644	F	98.4	Very high	97.4	Very high	50 Å²	50	52.2 Å²	52.2	22%	0.219	32%	0.317	C	S	.	.	H	α-helix	trans	-60.6	-42.2	176.8	-178.9	-102.4	0	0	0	111.3	V452 L455 L459 L475 F640 V641 I642 S648	V452-F644 HydrophobicContact CG1-CD2 4.29Å; L455-F644 HydrophobicContact CB-CE2 4.42Å; L459-F644 HydrophobicContact CD1-CZ 4.38Å; L475-F644 HydrophobicContact CD1-CB 3.77Å; L475-F644 HydrophobicContact CD1-CD2 4.2Å; F640-F644 VanDerWaalsContact O-CB 3.24Å; F640-F644 WeakPolarHBondContact O-CB 3.23Å; F640-F644 PolarHBondContact O-N 3.18Å; V641-F644 PolarHBondContact O-N 3.24Å; I642-F644 PolarHBondContact O-N 3.48Å; F644-S648 VanDerWaalsContact O-CB 3.23Å; F644-S648 WeakPolarHBondContact O-CB 3.4Å; F644-S648 PolarHBondContact O-N 3.17Å; F644-S648 PolarHBondContact O-OG 3.19Å
645	L	98.3	Very high	97.4	Very high	106 Å²	106	50.2 Å²	50.2	56%	0.555	30%	0.299	S	S	*	.	H	α-helix	trans	-64.7	-43.7	175.6	-69.1	173	0	0	0	111.9	V641 I642 M643 S648 A649	V641-L645 HydrophobicContact CG1-CD1 4.11Å; V641-L645 VanDerWaalsContact O-CG 3.29Å; V641-L645 WeakPolarHBondContact O-CG 3.43Å; V641-L645 PolarHBondContact O-N 3.42Å; I642-L645 PolarHBondContact O-N 2.94Å; M643-L645 VanDerWaalsContact C-N 3.31Å; M643-L645 PolarHBondContact O-N 3.09Å; L645-S648 PolarHBondContact O-N 2.89Å; L645-A649 VanDerWaalsContact O-CB 3.27Å; L645-A649 WeakPolarHBondContact O-CB 3.24Å; L645-A649 PolarHBondContact O-N 3.16Å
646	L	98.3	Very high	97.4	Very high	59 Å²	59	48.6 Å²	48.6	31%	0.309	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-42.1	178.3	-64.2	171.4	0	0	0	112.1	I642 M643 G650 L651 F652	I642-L646 HydrophobicContact CG2-CD1 3.83Å; I642-L646 HydrophobicContact CG2-CG 4.33Å; I642-L646 VanDerWaalsContact O-CG 3.27Å; I642-L646 WeakPolarHBondContact O-CG 3.39Å; I642-L646 PolarHBondContact O-N 3.41Å; M643-L646 PolarHBondContact O-N 3.42Å; M643-L646 HydrophobicContact SD-CD1 4.07Å; L646-G650 PolarHBondContact O-N 3Å; L646-L651 HydrophobicContact CD2-CD2 3.81Å; L646-L651 PolarHBondContact O-N 2.86Å; L646-F652 HydrophobicContact CB-CD2 4.5Å; L646-F652 HydrophobicContact CB-CE2 3.58Å; L646-F652 HydrophobicContact CB-CZ 4.21Å; L646-F652 HydrophobicContact CD1-CZ 4.37Å
647	V	97.9	Very high	97.2	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-46.3	174.6	172	0	0	0	0	110.7	V456 R461 F464 L475 M643 A649 G650 F652	V456-V647 HydrophobicContact CG1-CG1 4.25Å; V456-V647 HydrophobicContact CG2-CG1 4.16Å; R461-V647 HydrophobicContact CB-CG1 4.15Å; R461-V647 WeakPolarHBondContact CG-O 3.32Å; F464-V647 HydrophobicContact CB-CG1 4.29Å; F464-V647 HydrophobicContact CD1-CG1 3.88Å; F464-V647 HydrophobicContact CD2-CG1 4.21Å; F464-V647 HydrophobicContact CD2-CG2 3.57Å; F464-V647 HydrophobicContact CE1-CG1 4.25Å; F464-V647 HydrophobicContact CE2-CG2 3.66Å; F464-V647 HydrophobicContact CG-CG1 3.86Å; F464-V647 HydrophobicContact CG-CG2 4.09Å; F464-V647 HydrophobicContact CZ-CG2 4.24Å; L475-V647 HydrophobicContact CD2-CG2 4.4Å; M643-V647 HydrophobicContact CE-CG2 4.5Å; M643-V647 WeakPolarHBondContact O-CB 3.27Å; M643-V647 VanDerWaalsContact O-CG2 3.3Å; M643-V647 WeakPolarHBondContact O-CG2 3.46Å; M643-V647 PolarHBondContact O-N 2.7Å; V647-A649 VanDerWaalsContact C-N 3.29Å; V647-A649 PolarHBondContact O-N 3.32Å; V647-G650 WeakPolarHBondContact O-CA 3.27Å; V647-G650 PolarHBondContact O-N 3.04Å; V647-F652 HydrophobicContact CB-CD2 4.45Å; V647-F652 HydrophobicContact CG2-CD2 3.63Å; V647-F652 HydrophobicContact CG2-CE2 3.92Å
648	S	96.9	Very high	97.1	Very high	31 Å²	31	49.8 Å²	49.8	22%	0.217	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-40.5	178.7	-60.7	0	0	0	0	111.9	R461 F644 L645 G650	R461-S648 PolarHBondContact NE-O 2.9Å; R461-S648 PolarHBondContact NH2-O 3.33Å; F644-S648 VanDerWaalsContact O-CB 3.23Å; F644-S648 WeakPolarHBondContact O-CB 3.4Å; F644-S648 PolarHBondContact O-N 3.17Å; F644-S648 PolarHBondContact O-OG 3.19Å; L645-S648 PolarHBondContact O-N 2.89Å; S648-G650 PolarHBondContact O-N 3.34Å
649	A	96.9	Very high	96.7	Very high	64 Å²	64	50.6 Å²	50.6	53%	0.529	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.8	175.6	0	0	0	0	0	113.6	L645 V647 L651	L645-A649 VanDerWaalsContact O-CB 3.27Å; L645-A649 WeakPolarHBondContact O-CB 3.24Å; L645-A649 PolarHBondContact O-N 3.16Å; V647-A649 VanDerWaalsContact C-N 3.29Å; V647-A649 PolarHBondContact O-N 3.32Å; A649-L651 HydrophobicContact CB-CD1 3.4Å
650	G	94.8	Very high	96.3	Very high	27 Å²	27	54.9 Å²	54.9	28%	0.278	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	24.3	174.9	0	0	0	0	0	114.8	R461 L646 V647 S648 F652	R461-G650 VanDerWaalsContact CZ-CA 3.47Å; L646-G650 PolarHBondContact O-N 3Å; V647-G650 WeakPolarHBondContact O-CA 3.27Å; V647-G650 PolarHBondContact O-N 3.04Å; S648-G650 PolarHBondContact O-N 3.34Å; G650-F652 PolarHBondContact O-N 2.94Å
651	L	96.6	Very high	96	Very high	110 Å²	110	54.8 Å²	54.8	58%	0.576	32%	0.318	S	S	*	.			trans	-70.5	-20.1	-179.3	-81.8	77	0	0	0	113.4	L646 A649	L646-L651 HydrophobicContact CD2-CD2 3.81Å; L646-L651 PolarHBondContact O-N 2.86Å; A649-L651 HydrophobicContact CB-CD1 3.4Å
652	F	96.7	Very high	95.8	Very high	23 Å²	23	51.2 Å²	51.2	10%	0.101	30%	0.296	C	S	.	.	S	Bend	trans	-102.5	81	-178.4	-59.2	-70.9	0	0	0	110	F464 H468 Y470 A471 M643 L646 V647 G650	F464-F652 HydrophobicContact CB-CB 4.04Å; F464-F652 HydrophobicContact CD2-CB 4.43Å; H468-F652 HydrophobicContact CB-CD1 3.92Å; H468-F652 AromaticContact CD2-CD1 3.78Å; H468-F652 AromaticContact CG-CD1 3.85Å; Y470-F652 AromaticContact CE2-CE1 3.99Å; Y470-F652 HydrophobicContact CE2-CE1 3.99Å; Y470-F652 WeakPolarHBondContact OH-CE1 3.46Å; A471-F652 HydrophobicContact CB-CD1 4.22Å; A471-F652 HydrophobicContact CB-CD2 4.4Å; A471-F652 HydrophobicContact CB-CE1 4.2Å; A471-F652 HydrophobicContact CB-CE2 4.36Å; A471-F652 HydrophobicContact CB-CG 4.32Å; A471-F652 HydrophobicContact CB-CZ 4.28Å; M643-F652 HydrophobicContact CE-CD2 4.47Å; M643-F652 HydrophobicContact CE-CE1 4.47Å; M643-F652 HydrophobicContact CE-CE2 3.47Å; M643-F652 VanDerWaalsContact CE-CE2 3.47Å; M643-F652 HydrophobicContact CE-CZ 3.47Å; M643-F652 VanDerWaalsContact CE-CZ 3.47Å; M643-F652 HydrophobicContact SD-CZ 4.33Å; L646-F652 HydrophobicContact CB-CD2 4.5Å; L646-F652 HydrophobicContact CB-CE2 3.58Å; L646-F652 HydrophobicContact CB-CZ 4.21Å; L646-F652 HydrophobicContact CD1-CZ 4.37Å; V647-F652 HydrophobicContact CB-CD2 4.45Å; V647-F652 HydrophobicContact CG2-CD2 3.63Å; V647-F652 HydrophobicContact CG2-CE2 3.92Å; G650-F652 PolarHBondContact O-N 2.94Å
653	F	96.1	Very high	95.7	Very high	74 Å²	74	48.6 Å²	48.6	33%	0.325	28%	0.28	S	S	.	.			trans	-67.3	130.9	174.6	-179	-108.9	0	0	0	110	Y655 H702 W874	F653-Y655 WeakPolarHBondContact CD1-O 3.27Å; F653-Y655 HydrophobicContact CE1-CD2 4.14Å; F653-Y655 HydrophobicContact CE1-CG 4.43Å; F653-Y655 VanDerWaalsContact CE1-O 3.27Å; F653-Y655 WeakPolarHBondContact CE1-O 3.48Å; F653-Y655 HydrophobicContact CE2-CD2 4.28Å; F653-Y655 AromaticContact CZ-CD2 3.71Å; F653-Y655 HydrophobicContact CZ-CD2 3.71Å; F653-Y655 HydrophobicContact CZ-CG 4.43Å; F653-Y655 PolarHBondContact O-N 2.85Å; F653-H702 HydrophobicContact CE2-CB 4.33Å; F653-H702 AromaticContact CE2-ND1 3.84Å; F653-W874 AromaticContact CE1-CD1 3.97Å; F653-W874 AromaticContact CE1-CD2 3.94Å; F653-W874 HydrophobicContact CE1-CD2 3.94Å; F653-W874 AromaticContact CE1-CE2 3.93Å; F653-W874 AromaticContact CE1-CG 3.99Å; F653-W874 HydrophobicContact CE1-CG 3.99Å; F653-W874 AromaticContact CE1-NE1 3.91Å; F653-W874 AromaticContact CZ-CD2 3.84Å; F653-W874 HydrophobicContact CZ-CD2 3.84Å; F653-W874 AromaticContact CZ-CE2 3.54Å; F653-W874 HydrophobicContact CZ-CE3 4.2Å; F653-W874 HydrophobicContact CZ-CG 4.37Å; F653-W874 HydrophobicContact CZ-CH2 4.14Å; F653-W874 AromaticContact CZ-CZ2 3.69Å; F653-W874 HydrophobicContact CZ-CZ2 3.69Å; F653-W874 HydrophobicContact CZ-CZ3 4.36Å; F653-W874 AromaticContact CZ-NE1 3.87Å
654	P	96	Very high	95.6	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.039	28%	0.276	C	S	.	.	S	Bend	trans	-66.2	-30.8	-170.8	20.2	-33.1	0	0	0	114.7	M463 Y466 T467	M463-P654 HydrophobicContact CB-CB 3.89Å; M463-P654 VanDerWaalsContact O-CB 3.31Å; M463-P654 WeakPolarHBondContact O-CB 3.37Å; Y466-P654 WeakPolarHBondContact CD1-O 3.3Å; T467-P654 WeakPolarHBondContact CB-O 3.1Å; T467-P654 PolarHBondContact N-O 3.49Å; T467-P654 PolarHBondContact OG1-O 2.82Å
655	Y	96.9	Very high	95.5	Very high	9 Å²	9	45.4 Å²	45.4	4%	0.035	27%	0.266	C	S	.	.			trans	-110.3	159	-167.9	-49.2	-68.7	0	0	0	113.5	Y466 F653 R663 K665 D696 T698 H702 W874	Y466-Y655 HydrophobicContact CD1-CD1 4.02Å; Y466-Y655 HydrophobicContact CD1-CE1 4.23Å; Y466-Y655 HydrophobicContact CE1-CD1 4.05Å; Y466-Y655 HydrophobicContact CE1-CE1 4.25Å; F653-Y655 WeakPolarHBondContact CD1-O 3.27Å; F653-Y655 HydrophobicContact CE1-CD2 4.14Å; F653-Y655 HydrophobicContact CE1-CG 4.43Å; F653-Y655 VanDerWaalsContact CE1-O 3.27Å; F653-Y655 WeakPolarHBondContact CE1-O 3.48Å; F653-Y655 HydrophobicContact CE2-CD2 4.28Å; F653-Y655 AromaticContact CZ-CD2 3.71Å; F653-Y655 HydrophobicContact CZ-CD2 3.71Å; F653-Y655 HydrophobicContact CZ-CG 4.43Å; F653-Y655 PolarHBondContact O-N 2.85Å; Y655-R663 VanDerWaalsContact CA-O 3.29Å; Y655-R663 WeakPolarHBondContact CA-O 3.47Å; Y655-R663 WeakPolarHBondContact CB-O 3.38Å; Y655-K665 HydrophobicContact CD1-CB 3.66Å; Y655-K665 HydrophobicContact CD2-CB 3.99Å; Y655-K665 HydrophobicContact CD2-CD 4.41Å; Y655-K665 HydrophobicContact CE1-CB 3.59Å; Y655-K665 HydrophobicContact CE1-CG 4.03Å; Y655-K665 HydrophobicContact CE2-CB 3.96Å; Y655-K665 HydrophobicContact CE2-CD 3.77Å; Y655-K665 HydrophobicContact CE2-CG 4.15Å; Y655-K665 HydrophobicContact CG-CB 3.85Å; Y655-K665 PolarHBondContact OH-NZ 2.89Å; Y655-D696 PolarHBondContact OH-OD1 3.19Å; Y655-D696 VanDerWaalsContact OH-OD1 3.11Å; Y655-D696 PolarHBondContact OH-OD2 2.83Å; Y655-T698 PolarHBondContact OH-OG1 3.27Å; Y655-H702 HydrophobicContact CE2-CB 4.44Å; Y655-H702 AromaticContact CE2-CD2 3.69Å; Y655-W874 AromaticContact CD2-CE3 3.79Å; Y655-W874 HydrophobicContact CD2-CE3 3.79Å; Y655-W874 AromaticContact CD2-CZ3 3.77Å; Y655-W874 HydrophobicContact CD2-CZ3 3.77Å; Y655-W874 HydrophobicContact CE2-CZ3 4.33Å; Y655-W874 AromaticContact CG-CE3 3.94Å; Y655-W874 HydrophobicContact CG-CE3 3.94Å; Y655-W874 HydrophobicContact CG-CZ3 4.34Å
656	S	96.4	Very high	95.3	Very high	22 Å²	22	41 Å²	41	15%	0.154	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-142.6	130.4	179.5	177.2	0	0	0	0	111.5	N658 S661 P662 R663	S656-N658 WeakPolarHBondContact OG-CB 3.01Å; S656-N658 PolarHBondContact OG-N 3.02Å; S656-S661 PolarHBondContact OG-O 3.45Å; S656-P662 WeakPolarHBondContact O-CA 2.99Å; S656-R663 PolarHBondContact N-O 2.65Å; S656-R663 PolarHBondContact O-N 2.97Å
657	G	93.6	Very high	95.1	Very high	18 Å²	18	38.2 Å²	38.2	19%	0.186	23%	0.227	C	C	.	.			trans	-97.6	7.7	171.4	0	0	0	0	0	112.7	P659 W874	G657-P659 WeakPolarHBondContact O-CD 3.25Å; G657-W874 VanDerWaalsContact N-CB 3.33Å
658	N	94.4	Very high	94.9	Very high	74 Å²	74	40.7 Å²	40.7	40%	0.396	24%	0.238	S	C	.	.			trans	-64.6	121.3	177.9	-176.6	-19.5	0	0	0	109.5	S656 N660 S661 P662	S656-N658 WeakPolarHBondContact OG-CB 3.01Å; S656-N658 PolarHBondContact OG-N 3.02Å; N658-N660 PolarHBondContact O-N 3.22Å; N658-N660 VanDerWaalsContact O-N 3.11Å; N658-N660 PolarHBondContact OD1-N 3.45Å; N658-S661 CarbonylContact O-C 3.57Å; N658-S661 VanDerWaalsContact O-C 3.22Å; N658-S661 PolarHBondContact O-N 2.88Å; N658-P662 WeakPolarHBondContact O-CA 3.49Å; N658-P662 WeakPolarHBondContact O-CD 3.43Å
659	P	89.6	Confident	94.8	Very high	84 Å²	84	39.2 Å²	39.2	55%	0.545	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.3	-178.8	-26.8	35.6	0	0	0	114.8	R343 G657	R343-P659 PolarHBondContact NH2-O 3Å; G657-P659 WeakPolarHBondContact O-CD 3.25Å
660	N	90.6	Very high	94.8	Very high	150 Å²	150	36.4 Å²	36.4	80%	0.802	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-22.9	-179.5	-64.1	-25.8	0	0	0	113	N658	N658-N660 PolarHBondContact O-N 3.22Å; N658-N660 VanDerWaalsContact O-N 3.11Å; N658-N660 PolarHBondContact OD1-N 3.45Å
661	S	92.4	Very high	95	Very high	49 Å²	49	35.2 Å²	35.2	34%	0.343	19%	0.19	S	C	.	.	S	Bend	trans	-149.8	62.4	-177.9	66.2	0	0	0	0	110.8	S656 N658	S656-S661 PolarHBondContact OG-O 3.45Å; N658-S661 CarbonylContact O-C 3.57Å; N658-S661 VanDerWaalsContact O-C 3.22Å; N658-S661 PolarHBondContact O-N 2.88Å
662	P	95.2	Very high	95	Very high	2 Å²	2	30 Å²	30	1%	0.013	16%	0.163	C	C	.	.			trans	-70.6	138.8	-177.3	28.4	-34	0	0	0	110.3	I333 Y338 S656 N658	I333-P662 HydrophobicContact CG2-CB 4.47Å; I333-P662 HydrophobicContact CG2-CG 3.66Å; Y338-P662 HydrophobicContact CD1-CB 3.92Å; Y338-P662 HydrophobicContact CD1-CG 3.9Å; Y338-P662 HydrophobicContact CD2-CB 3.67Å; Y338-P662 HydrophobicContact CD2-CG 4.11Å; Y338-P662 HydrophobicContact CE1-CB 3.96Å; Y338-P662 HydrophobicContact CE1-CG 4.39Å; Y338-P662 HydrophobicContact CE2-CB 3.71Å; Y338-P662 HydrophobicContact CG-CB 3.77Å; Y338-P662 HydrophobicContact CG-CG 3.74Å; S656-P662 WeakPolarHBondContact O-CA 2.99Å; N658-P662 WeakPolarHBondContact O-CA 3.49Å; N658-P662 WeakPolarHBondContact O-CD 3.43Å
663	R	96.1	Very high	95	Very high	43 Å²	43	29.1 Å²	29.1	16%	0.162	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-134	72.2	177.4	-61.8	-69.5	-178.8	-102.2	11.9	107.3	N330 Y466 T467 Y655 S656	N330-R663 PolarHBondContact OD1-NH1 3.44Å; N330-R663 PolarHBondContact OD1-NH2 3.41Å; Y466-R663 HydrophobicContact CD1-CB 4.26Å; Y466-R663 HydrophobicContact CE1-CB 4.15Å; T467-R663 HydrophobicContact CG2-CG 4.22Å; T467-R663 VanDerWaalsContact OG1-CB 3.24Å; T467-R663 WeakPolarHBondContact OG1-CB 3.35Å; T467-R663 VanDerWaalsContact OG1-CG 3.31Å; T467-R663 WeakPolarHBondContact OG1-CG 3.3Å; Y655-R663 VanDerWaalsContact CA-O 3.29Å; Y655-R663 WeakPolarHBondContact CA-O 3.47Å; Y655-R663 WeakPolarHBondContact CB-O 3.38Å; S656-R663 PolarHBondContact N-O 2.65Å; S656-R663 PolarHBondContact O-N 2.97Å
664	P	95.6	Very high	95.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-70.6	142.2	-166.9	26	-32.9	0	0	0	112.2	F332 T336 Y338 W874 F876	F332-P664 WeakPolarHBondContact O-CD 3.47Å; F332-P664 WeakPolarHBondContact O-CG 3.14Å; T336-P664 HydrophobicContact CG2-CG 3.79Å; Y338-P664 HydrophobicContact CD2-CB 4.4Å; Y338-P664 HydrophobicContact CD2-CG 4.19Å; Y338-P664 HydrophobicContact CE2-CB 4.18Å; Y338-P664 HydrophobicContact CE2-CG 4.43Å; P664-W874 VanDerWaalsContact CA-O 3.26Å; P664-W874 WeakPolarHBondContact CA-O 3.37Å; P664-F876 HydrophobicContact CB-CB 3.9Å
665	K	95.7	Very high	95.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.2	158.4	180	170.2	179.1	65.9	0	109.3	Y655 S694 D696 T698 A699 I703 W874 F876	Y655-K665 HydrophobicContact CD1-CB 3.66Å; Y655-K665 HydrophobicContact CD2-CB 3.99Å; Y655-K665 HydrophobicContact CD2-CD 4.41Å; Y655-K665 HydrophobicContact CE1-CB 3.59Å; Y655-K665 HydrophobicContact CE1-CG 4.03Å; Y655-K665 HydrophobicContact CE2-CB 3.96Å; Y655-K665 HydrophobicContact CE2-CD 3.77Å; Y655-K665 HydrophobicContact CE2-CG 4.15Å; Y655-K665 HydrophobicContact CG-CB 3.85Å; Y655-K665 PolarHBondContact OH-NZ 2.89Å; K665-S694 PolarHBondContact NZ-OG 2.97Å; K665-D696 IonicContact NZ-OD1 2.84Å; K665-D696 PolarHBondContact NZ-OD1 2.93Å; K665-D696 IonicContact NZ-OD2 2.72Å; K665-D696 PolarHBondContact NZ-OD2 2.78Å; K665-T698 PolarHBondContact NZ-OG1 2.97Å; K665-A699 WeakPolarHBondContact CE-O 3.46Å; K665-A699 PolarHBondContact NZ-O 3.5Å; K665-I703 HydrophobicContact CD-CD1 3.79Å; K665-I703 HydrophobicContact CD-CG1 4.04Å; K665-I703 VanDerWaalsContact CE-CD1 3.46Å; K665-W874 HydrophobicContact CB-CE3 3.92Å; K665-W874 HydrophobicContact CB-CZ3 3.75Å; K665-W874 HydrophobicContact CD-CZ3 3.79Å; K665-W874 HydrophobicContact CG-CZ3 4.35Å; K665-W874 PolarHBondContact N-O 3.34Å; K665-F876 PolarHBondContact O-N 3.46Å
666	R	94.5	Very high	95.1	Very high	15 Å²	15	26.3 Å²	26.3	6%	0.057	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.8	179.7	-64.7	179.2	-178.4	85.1	-4.8	111.5	G331 F332 Y334 T336 Y466 G592 F695	G331-R666 PolarHBondContact O-NH2 2.85Å; F332-R666 PolarHBondContact O-NH2 3.26Å; Y334-R666 PolarHBondContact O-NH2 3.39Å; T336-R666 HydrophobicContact CG2-CG 4.49Å; Y466-R666 PolarHBondContact OH-NH1 3.41Å; G592-R666 PolarHBondContact O-NH1 3.11Å; R666-F695 HydrophobicContact CB-CB 4.03Å; R666-F695 PolarHBondContact O-N 3.19Å
667	I	93.8	Very high	95.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	139.5	179.1	-169	164.9	0	0	0	109.9	L669 I692 N693 V700 I703 F871 F876 P877 S878	I667-L669 HydrophobicContact CG1-CD1 4.21Å; I667-L669 HydrophobicContact CG2-CD1 3.89Å; I667-I692 HydrophobicContact CD1-CG2 3.45Å; I667-I692 VanDerWaalsContact CD1-CG2 3.45Å; I667-I692 HydrophobicContact CG1-CG2 3.86Å; I667-N693 CarbonylContact C-O 3.56Å; I667-N693 WeakPolarHBondContact CA-O 3.33Å; I667-N693 WeakPolarHBondContact CG1-O 3.44Å; I667-V700 HydrophobicContact CD1-CG1 4.44Å; I667-I703 HydrophobicContact CD1-CD1 3.38Å; I667-F871 HydrophobicContact CD1-CE1 4.23Å; I667-F871 HydrophobicContact CD1-CZ 4.27Å; I667-F871 HydrophobicContact CG2-CD1 4.44Å; I667-F871 HydrophobicContact CG2-CE1 3.71Å; I667-F871 HydrophobicContact CG2-CZ 4.23Å; I667-F876 PolarHBondContact N-O 3.13Å; I667-P877 HydrophobicContact CG2-CB 3.98Å; I667-P877 CarbonylContact O-C 3.25Å; I667-P877 WeakPolarHBondContact O-CA 3.43Å; I667-S878 PolarHBondContact O-N 3.45Å
668	F	94.1	Very high	95	Very high	54 Å²	54	27.3 Å²	27.3	24%	0.237	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.8	174	-67.6	-6.5	0	0	0	110.3	I692 N693 F695 S878 W880	F668-I692 WeakPolarHBondContact O-CA 3.41Å; F668-N693 HydrophobicContact CB-CB 4.29Å; F668-N693 PolarHBondContact N-O 3.33Å; F668-N693 PolarHBondContact O-N 3.06Å; F668-F695 HydrophobicContact CB-CE2 4.11Å; F668-F695 HydrophobicContact CD1-CD2 4.23Å; F668-F695 AromaticContact CD1-CE2 3.83Å; F668-F695 HydrophobicContact CD1-CE2 3.83Å; F668-F695 HydrophobicContact CD2-CD2 4.28Å; F668-F695 AromaticContact CD2-CE2 3.16Å; F668-F695 HydrophobicContact CD2-CE2 3.16Å; F668-F695 AromaticContact CD2-CZ 3.37Å; F668-F695 HydrophobicContact CD2-CZ 3.37Å; F668-F695 HydrophobicContact CE1-CD2 4.38Å; F668-F695 HydrophobicContact CE1-CE2 4.02Å; F668-F695 HydrophobicContact CE1-CZ 4.41Å; F668-F695 HydrophobicContact CE2-CD2 4.42Å; F668-F695 HydrophobicContact CE2-CE1 4.1Å; F668-F695 AromaticContact CE2-CE2 3.39Å; F668-F695 HydrophobicContact CE2-CE2 3.39Å; F668-F695 AromaticContact CE2-CZ 3.17Å; F668-F695 HydrophobicContact CE2-CZ 3.17Å; F668-F695 HydrophobicContact CG-CD2 4.19Å; F668-F695 AromaticContact CG-CE2 3.41Å; F668-F695 HydrophobicContact CG-CE2 3.41Å; F668-F695 VanDerWaalsContact CG-CE2 3.41Å; F668-F695 HydrophobicContact CG-CZ 4.1Å; F668-F695 HydrophobicContact CZ-CD2 4.47Å; F668-F695 HydrophobicContact CZ-CE1 4.38Å; F668-F695 AromaticContact CZ-CE2 3.82Å; F668-F695 HydrophobicContact CZ-CE2 3.82Å; F668-F695 AromaticContact CZ-CZ 3.75Å; F668-F695 HydrophobicContact CZ-CZ 3.75Å; F668-S878 CarbonylContact C-O 3.47Å; F668-S878 VanDerWaalsContact CA-O 3.26Å; F668-S878 WeakPolarHBondContact CA-O 3.41Å; F668-W880 HydrophobicContact CB-CH2 4.1Å; F668-W880 HydrophobicContact CB-CZ3 4.29Å; F668-W880 HydrophobicContact CD1-CH2 4.46Å; F668-W880 HydrophobicContact CD1-CZ3 4.29Å; F668-W880 AromaticContact CD2-CH2 3.51Å; F668-W880 HydrophobicContact CD2-CH2 3.51Å; F668-W880 HydrophobicContact CD2-CZ3 4.14Å; F668-W880 AromaticContact CE2-CH2 3.97Å; F668-W880 HydrophobicContact CE2-CH2 3.97Å; F668-W880 AromaticContact CG-CH2 3.8Å; F668-W880 HydrophobicContact CG-CH2 3.8Å; F668-W880 AromaticContact CG-CZ3 4Å; F668-W880 HydrophobicContact CG-CZ3 4Å
669	L	95.7	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.6	173.5	-70.8	86	0	0	0	109.2	I667 I690 W691 I692 L864 I867 F871 P877 S878 S879 W880	I667-L669 HydrophobicContact CG1-CD1 4.21Å; I667-L669 HydrophobicContact CG2-CD1 3.89Å; L669-I690 HydrophobicContact CB-CG2 4.23Å; L669-I690 HydrophobicContact CD2-CG2 4.14Å; L669-I690 HydrophobicContact CG-CG2 4.45Å; L669-W691 WeakPolarHBondContact CA-O 3.27Å; L669-I692 HydrophobicContact CG-CG1 4.48Å; L669-L864 HydrophobicContact CB-CD1 3.87Å; L669-L864 HydrophobicContact CD2-CD1 4.42Å; L669-I867 HydrophobicContact CD2-CG2 3.73Å; L669-F871 HydrophobicContact CD1-CE2 4.14Å; L669-F871 HydrophobicContact CD1-CZ 3.9Å; L669-F871 HydrophobicContact CD2-CE2 3.69Å; L669-F871 HydrophobicContact CD2-CZ 4.06Å; L669-P877 HydrophobicContact CD1-CB 3.59Å; L669-S878 PolarHBondContact N-O 2.87Å; L669-S879 WeakPolarHBondContact O-CA 3.25Å; L669-S879 WeakPolarHBondContact O-CB 3.29Å; L669-W880 PolarHBondContact O-N 3.35Å; L669-W880 VanDerWaalsContact O-N 3.16Å
670	Q	96.7	Very high	94.7	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.023	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113	177.2	-59.4	-168.8	65.6	0	0	109.1	T672 I690 W691 P728 W880	Q670-T672 PolarHBondContact O-N 3.16Å; Q670-I690 CarbonylContact O-C 3.56Å; Q670-I690 WeakPolarHBondContact O-CA 3.2Å; Q670-W691 HydrophobicContact CB-CB 4.49Å; Q670-W691 HydrophobicContact CB-CE3 4.43Å; Q670-W691 HydrophobicContact CG-CE3 4.49Å; Q670-W691 PolarHBondContact N-O 2.83Å; Q670-W691 VanDerWaalsContact NE2-CE3 3.34Å; Q670-W691 PolarHBondContact O-N 2.82Å; Q670-P728 PolarHBondContact NE2-O 2.66Å; Q670-P728 PolarHBondContact OE1-O 3.32Å; Q670-W880 WeakPolarHBondContact CA-O 3.42Å; Q670-W880 VanDerWaalsContact CD-CE2 3.42Å; Q670-W880 HydrophobicContact CG-CD2 4.14Å; Q670-W880 VanDerWaalsContact CG-CE2 3.47Å; Q670-W880 HydrophobicContact CG-CH2 4.21Å; Q670-W880 HydrophobicContact CG-CZ2 3.52Å; Q670-W880 VanDerWaalsContact OE1-CE2 3.32Å
671	H	97.6	Very high	94.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	107	169.9	-168.5	-179.4	0	0	0	108.1	I690 A745 P746 V748 T861 L864 W880 V881 S882	H671-I690 HydrophobicContact CB-CG1 4.11Å; H671-A745 WeakPolarHBondContact NE2-CB 3.45Å; H671-P746 PolarHBondContact NE2-O 2.92Å; H671-V748 HydrophobicContact CB-CG1 4.2Å; H671-V748 VanDerWaalsContact CD2-CG1 3.48Å; H671-V748 WeakPolarHBondContact CD2-CG1 3.33Å; H671-V748 VanDerWaalsContact CG-CG1 3.47Å; H671-T861 WeakPolarHBondContact ND1-CB 3.47Å; H671-T861 PolarHBondContact ND1-OG1 3.42Å; H671-L864 HydrophobicContact CB-CB 4.28Å; H671-L864 HydrophobicContact CB-CD2 4.24Å; H671-W880 PolarHBondContact N-O 2.95Å; H671-V881 HydrophobicContact CB-CG2 4.39Å; H671-V881 WeakPolarHBondContact O-CA 3.37Å; H671-S882 PolarHBondContact O-N 3.4Å
672	T	97.3	Very high	94.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.5	-167.8	-163.2	0	0	0	0	112.9	Q670 R674 S688 G689 W691 P728 Y742 S882	Q670-T672 PolarHBondContact O-N 3.16Å; T672-R674 HydrophobicContact CG2-CG 4.15Å; T672-S688 VanDerWaalsContact O-CA 3.29Å; T672-S688 WeakPolarHBondContact O-CA 3.32Å; T672-S688 PolarHBondContact O-OG 2.96Å; T672-S688 VanDerWaalsContact O-OG 3.09Å; T672-G689 PolarHBondContact N-O 3Å; T672-G689 PolarHBondContact O-N 3.42Å; T672-W691 HydrophobicContact CG2-CB 4.23Å; T672-P728 HydrophobicContact CG2-CG 4.41Å; T672-Y742 HydrophobicContact CG2-CE2 4.01Å; T672-S882 VanDerWaalsContact CA-O 3.25Å; T672-S882 WeakPolarHBondContact CA-O 3.27Å; T672-S882 WeakPolarHBondContact CB-OG 3.24Å; T672-S882 PolarHBondContact OG1-O 3.41Å; T672-S882 PolarHBondContact OG1-OG 3.41Å; T672-S882 VanDerWaalsContact OG1-OG 3.07Å
673	T	97.6	Very high	94.7	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.2	160.6	-66.7	0	0	0	0	108.8	R686 D687 S688 E747 V748 S882 T883 Y884	T673-R686 HydrophobicContact CG2-CG 4.29Å; T673-D687 WeakPolarHBondContact CA-O 3.24Å; T673-S688 WeakPolarHBondContact OG1-CB 3.46Å; T673-S688 PolarHBondContact OG1-OG 2.94Å; T673-E747 HydrophobicContact CG2-CG 4.48Å; T673-E747 WeakPolarHBondContact OG1-CA 3.47Å; T673-V748 WeakPolarHBondContact OG1-CG2 3.35Å; T673-V748 PolarHBondContact OG1-N 3.13Å; T673-S882 PolarHBondContact N-O 3.15Å; T673-T883 WeakPolarHBondContact O-CA 3.14Å; T673-Y884 PolarHBondContact O-N 2.96Å
674	R	97	Very high	94.6	Very high	17 Å²	17	37.8 Å²	37.8	6%	0.064	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.9	-178.2	-53.7	-177.9	-67.6	169.5	-1.4	109.5	T672 F676 R686 D687 G726 Y727 Y884	T672-R674 HydrophobicContact CG2-CG 4.15Å; R674-F676 HydrophobicContact CB-CE2 3.77Å; R674-F676 HydrophobicContact CB-CZ 3.89Å; R674-R686 VanDerWaalsContact O-CA 3.3Å; R674-R686 WeakPolarHBondContact O-CA 3.27Å; R674-D687 IonicContact CZ-OD1 3.74Å; R674-D687 IonicContact CZ-OD2 3.17Å; R674-D687 PolarHBondContact N-O 3.33Å; R674-D687 IonicContact NE-OD1 2.91Å; R674-D687 PolarHBondContact NE-OD1 3.19Å; R674-D687 IonicContact NE-OD2 3.04Å; R674-D687 IonicContact NH2-OD1 2.69Å; R674-D687 PolarHBondContact NH2-OD1 2.95Å; R674-D687 IonicContact NH2-OD2 3.23Å; R674-D687 PolarHBondContact NH2-OD2 3.45Å; R674-D687 PolarHBondContact O-N 2.94Å; R674-G726 VanDerWaalsContact CD-O 3.29Å; R674-G726 WeakPolarHBondContact CD-O 3.4Å; R674-G726 PolarHBondContact NH1-O 3.26Å; R674-Y727 PolarHBondContact NH1-OH 3.12Å; R674-Y727 VanDerWaalsContact NH1-OH 3.14Å; R674-Y884 CarbonylContact C-O 3.59Å; R674-Y884 VanDerWaalsContact CA-O 3.27Å; R674-Y884 WeakPolarHBondContact CA-O 3.24Å; R674-Y884 HydrophobicContact CB-CD1 4.47Å
675	T	97.1	Very high	94.6	Very high	10 Å²	10	39.9 Å²	39.9	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.9	179.5	-39.2	0	0	0	0	109.4	H677 V683 R686 Y884 D885 M886	T675-H677 WeakPolarHBondContact CG2-NE2 3.38Å; T675-V683 HydrophobicContact CG2-CB 4.49Å; T675-V683 HydrophobicContact CG2-CG1 3.87Å; T675-V683 HydrophobicContact CG2-CG2 3.88Å; T675-R686 HydrophobicContact CG2-CG 4.35Å; T675-Y884 PolarHBondContact N-O 3Å; T675-D885 WeakPolarHBondContact CB-OD1 3.5Å; T675-D885 WeakPolarHBondContact O-CA 3.34Å; T675-D885 PolarHBondContact OG1-OD1 3.48Å; T675-M886 PolarHBondContact O-N 3.38Å
676	F	96.3	Very high	94.6	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.8	179.3	-55.6	-84.5	0	0	0	108.8	R674 E684 S685 Y884 M886	R674-F676 HydrophobicContact CB-CE2 3.77Å; R674-F676 HydrophobicContact CB-CZ 3.89Å; F676-E684 WeakPolarHBondContact O-CB 3.49Å; F676-E684 PolarHBondContact O-N 3.43Å; F676-S685 VanDerWaalsContact CD2-OG 3.3Å; F676-S685 WeakPolarHBondContact CD2-OG 3.25Å; F676-S685 PolarHBondContact N-O 3.01Å; F676-S685 PolarHBondContact O-N 2.99Å; F676-Y884 HydrophobicContact CD1-CE1 4.4Å; F676-Y884 HydrophobicContact CE1-CD1 4.13Å; F676-Y884 AromaticContact CE1-CE1 3.7Å; F676-Y884 HydrophobicContact CE1-CE1 3.7Å; F676-Y884 HydrophobicContact CZ-CD1 4.36Å; F676-Y884 HydrophobicContact CZ-CE1 4.33Å; F676-M886 HydrophobicContact CD1-CB 4.01Å; F676-M886 HydrophobicContact CD1-CG 4.45Å; F676-M886 HydrophobicContact CD1-SD 3.8Å; F676-M886 HydrophobicContact CE1-SD 4.24Å
677	H	95.4	Very high	94.7	Very high	21 Å²	21	47.3 Å²	47.3	10%	0.097	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.7	-179	-60.3	-105.9	0	0	0	110.8	T675 G681 R682 M886 Y887	T675-H677 WeakPolarHBondContact CG2-NE2 3.38Å; H677-G681 PolarHBondContact ND1-O 2.91Å; H677-R682 CarbonylContact C-O 3.56Å; H677-R682 VanDerWaalsContact CA-O 3.29Å; H677-R682 WeakPolarHBondContact CA-O 3.43Å; H677-M886 WeakPolarHBondContact CB-O 3.48Å; H677-M886 PolarHBondContact CD2-O 3.45Å; H677-M886 PolarHBondContact N-O 3.28Å; H677-Y887 HydrophobicContact CB-CD1 3.75Å; H677-Y887 HydrophobicContact CB-CE1 4.13Å; H677-Y887 HydrophobicContact CB-CG 4.38Å; H677-Y887 AromaticContact CD2-CD1 3.95Å; H677-Y887 AromaticContact CD2-CE1 3.58Å; H677-Y887 AromaticContact CD2-CZ 3.78Å; H677-Y887 AromaticContact CE1-CE1 3.86Å; H677-Y887 AromaticContact CG-CD1 3.73Å; H677-Y887 AromaticContact CG-CE1 3.58Å; H677-Y887 AromaticContact ND1-CE1 3.75Å; H677-Y887 AromaticContact NE2-CE1 3.81Å; H677-Y887 AromaticContact NE2-CZ 3.79Å
678	N	91.5	Very high	94.9	Very high	39 Å²	39	48 Å²	48	21%	0.209	24%	0.238	C	C	.	.			trans	-82.1	-178.5	173.8	70.1	13.3	0	0	0	112.1	Q680 G681 R682 E684	N678-Q680 VanDerWaalsContact CG-OE1 3.3Å; N678-Q680 PolarHBondContact ND2-OE1 2.99Å; N678-Q680 PolarHBondContact O-N 3.17Å; N678-Q680 VanDerWaalsContact O-N 3.11Å; N678-Q680 WeakPolarHBondContact OD1-CA 3.38Å; N678-Q680 PolarHBondContact OD1-N 3.48Å; N678-Q680 PolarHBondContact OD1-OE1 3.41Å; N678-G681 WeakPolarHBondContact O-CA 3.34Å; N678-G681 PolarHBondContact O-N 2.81Å; N678-G681 PolarHBondContact OD1-N 3.01Å; N678-R682 PolarHBondContact N-O 3.22Å; N678-R682 PolarHBondContact OD1-N 3.43Å; N678-R682 PolarHBondContact OD1-O 3.45Å; N678-E684 HydrophobicContact CB-CB 4.4Å
679	L	89.8	Confident	95	Very high	65 Å²	65	45.4 Å²	45.4	34%	0.34	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.1	178.7	-69.9	172	0	0	0	114.5	G681 P841 R888	L679-G681 VanDerWaalsContact C-N 3.31Å; L679-P841 HydrophobicContact CD1-CB 4.48Å; L679-P841 VanDerWaalsContact CD1-O 3.26Å; L679-P841 WeakPolarHBondContact CD1-O 3.39Å; L679-R888 HydrophobicContact CD2-CB 3.68Å; L679-R888 HydrophobicContact CG-CB 4.29Å
680	Q	88.4	Confident	95	Very high	137 Å²	137	45.5 Å²	45.5	64%	0.64	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	6.1	176	-61.3	77.6	33.6	0	0	112.2	N678 R682	N678-Q680 VanDerWaalsContact CG-OE1 3.3Å; N678-Q680 PolarHBondContact ND2-OE1 2.99Å; N678-Q680 PolarHBondContact O-N 3.17Å; N678-Q680 VanDerWaalsContact O-N 3.11Å; N678-Q680 WeakPolarHBondContact OD1-CA 3.38Å; N678-Q680 PolarHBondContact OD1-N 3.48Å; N678-Q680 PolarHBondContact OD1-OE1 3.41Å; Q680-R682 HydrophobicContact CB-CG 4.41Å; Q680-R682 PolarHBondContact O-N 3.07Å
681	G	89.1	Confident	95	Very high	40 Å²	40	45.3 Å²	45.3	41%	0.412	23%	0.226	S	C	.	.	S	Bend	trans	73.5	4.9	-176.1	0	0	0	0	0	114.5	H677 N678 L679	H677-G681 PolarHBondContact ND1-O 2.91Å; N678-G681 WeakPolarHBondContact O-CA 3.34Å; N678-G681 PolarHBondContact O-N 2.81Å; N678-G681 PolarHBondContact OD1-N 3.01Å; L679-G681 VanDerWaalsContact C-N 3.31Å
682	R	93.8	Very high	94.8	Very high	184 Å²	184	45.3 Å²	45.3	69%	0.694	23%	0.226	S	C	*	.			trans	-81.4	143.7	179.1	-61.9	-178.3	-179.3	176.8	0.1	110.2	H677 N678 Q680 E684	H677-R682 CarbonylContact C-O 3.56Å; H677-R682 VanDerWaalsContact CA-O 3.29Å; H677-R682 WeakPolarHBondContact CA-O 3.43Å; N678-R682 PolarHBondContact N-O 3.22Å; N678-R682 PolarHBondContact OD1-N 3.43Å; N678-R682 PolarHBondContact OD1-O 3.45Å; Q680-R682 HydrophobicContact CB-CG 4.41Å; Q680-R682 PolarHBondContact O-N 3.07Å; R682-E684 PolarHBondContact O-N 3.29Å; R682-E684 VanDerWaalsContact O-N 3.12Å
683	V	95.8	Very high	94.6	Very high	82 Å²	82	45.4 Å²	45.4	50%	0.497	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	113.6	175.6	-178.6	0	0	0	0	109.3	T675 R686	T675-V683 HydrophobicContact CG2-CB 4.49Å; T675-V683 HydrophobicContact CG2-CG1 3.87Å; T675-V683 HydrophobicContact CG2-CG2 3.88Å; V683-R686 HydrophobicContact CG1-CB 4.19Å
684	E	94.1	Very high	94.2	Very high	115 Å²	115	45.1 Å²	45.1	54%	0.537	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-43.9	175.4	-177.9	-178.6	-173.2	0	0	110.6	F676 N678 R682 R888	F676-E684 WeakPolarHBondContact O-CB 3.49Å; F676-E684 PolarHBondContact O-N 3.43Å; N678-E684 HydrophobicContact CB-CB 4.4Å; R682-E684 PolarHBondContact O-N 3.29Å; R682-E684 VanDerWaalsContact O-N 3.12Å; E684-R888 IonicContact OE2-NH1 3.48Å; E684-R888 PolarHBondContact OE2-NH1 3.32Å
685	S	95.3	Very high	93.9	Very high	44 Å²	44	46.1 Å²	46.1	31%	0.308	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	153	175.8	58.6	0	0	0	0	111.1	F676	F676-S685 VanDerWaalsContact CD2-OG 3.3Å; F676-S685 WeakPolarHBondContact CD2-OG 3.25Å; F676-S685 PolarHBondContact N-O 3.01Å; F676-S685 PolarHBondContact O-N 2.99Å
686	R	96.3	Very high	93.6	Very high	120 Å²	120	45.7 Å²	45.7	45%	0.453	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	135.7	178.1	-165.7	177.3	-170.6	-143.8	-2.6	109.4	T673 R674 T675 V683 E747	T673-R686 HydrophobicContact CG2-CG 4.29Å; R674-R686 VanDerWaalsContact O-CA 3.3Å; R674-R686 WeakPolarHBondContact O-CA 3.27Å; T675-R686 HydrophobicContact CG2-CG 4.35Å; V683-R686 HydrophobicContact CG1-CB 4.19Å; R686-E747 VanDerWaalsContact CZ-CD 3.49Å; R686-E747 IonicContact CZ-OE1 3.65Å; R686-E747 IonicContact CZ-OE2 3.88Å; R686-E747 IonicContact NE-OE1 2.77Å; R686-E747 IonicContact NH1-OE1 3.63Å; R686-E747 PolarHBondContact NH1-OE1 3.18Å; R686-E747 IonicContact NH1-OE2 3.97Å; R686-E747 PolarHBondContact NH1-OE2 3.19Å; R686-E747 IonicContact NH2-OE2 2.95Å; R686-E747 PolarHBondContact NH2-OE2 2.95Å
687	D	96.4	Very high	93.5	Very high	51 Å²	51	47.3 Å²	47.3	27%	0.273	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	163.9	176.2	70.7	57.1	0	0	0	111.4	T673 R674 Y742	T673-D687 WeakPolarHBondContact CA-O 3.24Å; R674-D687 IonicContact CZ-OD1 3.74Å; R674-D687 IonicContact CZ-OD2 3.17Å; R674-D687 PolarHBondContact N-O 3.33Å; R674-D687 IonicContact NE-OD1 2.91Å; R674-D687 PolarHBondContact NE-OD1 3.19Å; R674-D687 IonicContact NE-OD2 3.04Å; R674-D687 IonicContact NH2-OD1 2.69Å; R674-D687 PolarHBondContact NH2-OD1 2.95Å; R674-D687 IonicContact NH2-OD2 3.23Å; R674-D687 PolarHBondContact NH2-OD2 3.45Å; R674-D687 PolarHBondContact O-N 2.94Å; D687-Y742 PolarHBondContact OD1-OH 2.91Å
688	S	97.4	Very high	93.4	Very high	13 Å²	13	46.6 Å²	46.6	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	150.6	178.5	-167.9	0	0	0	0	112.2	T672 T673 Y742 A745 P746 E747	T672-S688 VanDerWaalsContact O-CA 3.29Å; T672-S688 WeakPolarHBondContact O-CA 3.32Å; T672-S688 PolarHBondContact O-OG 2.96Å; T672-S688 VanDerWaalsContact O-OG 3.09Å; T673-S688 WeakPolarHBondContact OG1-CB 3.46Å; T673-S688 PolarHBondContact OG1-OG 2.94Å; S688-Y742 VanDerWaalsContact CA-OH 3.29Å; S688-Y742 WeakPolarHBondContact CA-OH 3.44Å; S688-Y742 PolarHBondContact N-OH 3.41Å; S688-Y742 PolarHBondContact O-OH 3.45Å; S688-A745 CarbonylContact C-O 3.46Å; S688-A745 VanDerWaalsContact C-O 3.27Å; S688-A745 WeakPolarHBondContact CB-O 3.43Å; S688-A745 PolarHBondContact O-N 2.95Å; S688-A745 VanDerWaalsContact O-O 3.04Å; S688-P746 WeakPolarHBondContact CB-O 2.97Å; S688-P746 PolarHBondContact OG-O 3.45Å; S688-E747 WeakPolarHBondContact OG-CA 3.34Å
689	G	96.2	Very high	93.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176	168.2	-173.1	0	0	0	0	0	114.1	T672 Y742 L743	T672-G689 PolarHBondContact N-O 3Å; T672-G689 PolarHBondContact O-N 3.42Å; G689-Y742 PolarHBondContact N-OH 3.4Å; G689-L743 CarbonylContact C-O 3.57Å; G689-L743 WeakPolarHBondContact CA-O 3.3Å
690	I	96.3	Very high	93.4	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	111.8	173.6	-64.4	170.3	0	0	0	107.8	L669 Q670 H671 I692 L743 A745 L864 I867	L669-I690 HydrophobicContact CB-CG2 4.23Å; L669-I690 HydrophobicContact CD2-CG2 4.14Å; L669-I690 HydrophobicContact CG-CG2 4.45Å; Q670-I690 CarbonylContact O-C 3.56Å; Q670-I690 WeakPolarHBondContact O-CA 3.2Å; H671-I690 HydrophobicContact CB-CG1 4.11Å; I690-I692 HydrophobicContact CG2-CG1 4.06Å; I690-L743 HydrophobicContact CB-CB 4.44Å; I690-L743 PolarHBondContact N-O 3.44Å; I690-L743 PolarHBondContact O-N 2.81Å; I690-A745 HydrophobicContact CG1-CB 4.23Å; I690-L864 HydrophobicContact CD1-CD1 4.5Å; I690-L864 HydrophobicContact CG2-CD1 4.47Å; I690-I867 HydrophobicContact CD1-CD1 3.46Å; I690-I867 VanDerWaalsContact CD1-CD1 3.46Å; I690-I867 HydrophobicContact CD1-CG1 4.31Å
691	W	95.6	Very high	93.5	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.6	176.6	-174.5	44.8	0	0	0	110.4	L669 Q670 T672 N693 Y727 P728 W729 Y742	L669-W691 WeakPolarHBondContact CA-O 3.27Å; Q670-W691 HydrophobicContact CB-CB 4.49Å; Q670-W691 HydrophobicContact CB-CE3 4.43Å; Q670-W691 HydrophobicContact CG-CE3 4.49Å; Q670-W691 PolarHBondContact N-O 2.83Å; Q670-W691 VanDerWaalsContact NE2-CE3 3.34Å; Q670-W691 PolarHBondContact O-N 2.82Å; T672-W691 HydrophobicContact CG2-CB 4.23Å; W691-N693 VanDerWaalsContact CE2-ND2 3.34Å; W691-N693 VanDerWaalsContact CE2-OD1 3.28Å; W691-N693 VanDerWaalsContact CE3-ND2 3.31Å; W691-N693 WeakPolarHBondContact CH2-OD1 3.36Å; W691-N693 WeakPolarHBondContact CZ2-OD1 3.43Å; W691-Y727 HydrophobicContact CB-CD1 4.49Å; W691-Y727 AromaticContact CD1-CD1 3.66Å; W691-Y727 AromaticContact CD1-CE1 3.68Å; W691-Y727 AromaticContact CD2-CD1 3.63Å; W691-Y727 HydrophobicContact CD2-CD1 3.63Å; W691-Y727 HydrophobicContact CD2-CE1 4.41Å; W691-Y727 HydrophobicContact CD2-CG 4.16Å; W691-Y727 AromaticContact CE2-CD1 3.59Å; W691-Y727 AromaticContact CE2-CG 3.77Å; W691-Y727 HydrophobicContact CE3-CD1 4.28Å; W691-Y727 AromaticContact CG-CD1 3.71Å; W691-Y727 HydrophobicContact CG-CD1 3.71Å; W691-Y727 HydrophobicContact CG-CE1 4.06Å; W691-Y727 HydrophobicContact CH2-CG 4.44Å; W691-Y727 HydrophobicContact CZ2-CD1 4.22Å; W691-Y727 AromaticContact CZ2-CG 3.93Å; W691-Y727 HydrophobicContact CZ2-CG 3.93Å; W691-Y727 AromaticContact NE1-CD1 3.58Å; W691-Y727 AromaticContact NE1-CE1 3.83Å; W691-P728 HydrophobicContact CE3-CG 3.95Å; W691-P728 HydrophobicContact CZ3-CG 4.14Å; W691-P728 WeakPolarHBondContact CZ3-O 3.41Å; W691-W729 AromaticContact CH2-CD2 3.65Å; W691-W729 HydrophobicContact CH2-CD2 3.65Å; W691-W729 AromaticContact CH2-CE2 3.48Å; W691-W729 VanDerWaalsContact CH2-CE2 3.48Å; W691-W729 HydrophobicContact CH2-CE3 4.03Å; W691-W729 HydrophobicContact CH2-CG 4.08Å; W691-W729 HydrophobicContact CH2-CH2 4.05Å; W691-W729 AromaticContact CH2-CZ2 3.73Å; W691-W729 HydrophobicContact CH2-CZ2 3.73Å; W691-W729 HydrophobicContact CH2-CZ3 4.2Å; W691-W729 AromaticContact CH2-NE1 3.8Å; W691-W729 HydrophobicContact CZ2-CD2 4.44Å; W691-W729 AromaticContact CZ2-CE2 3.83Å; W691-W729 HydrophobicContact CZ2-CH2 4.1Å; W691-W729 AromaticContact CZ2-CZ2 3.67Å; W691-W729 HydrophobicContact CZ2-CZ2 3.67Å; W691-Y742 HydrophobicContact CB-CD2 4.11Å
692	I	94.4	Very high	93.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.6	-168.6	-55.6	173.2	0	0	0	109	I667 F668 L669 I690 V700 I710 N740 W741	I667-I692 HydrophobicContact CD1-CG2 3.45Å; I667-I692 VanDerWaalsContact CD1-CG2 3.45Å; I667-I692 HydrophobicContact CG1-CG2 3.86Å; F668-I692 WeakPolarHBondContact O-CA 3.41Å; L669-I692 HydrophobicContact CG-CG1 4.48Å; I690-I692 HydrophobicContact CG2-CG1 4.06Å; I692-V700 HydrophobicContact CG2-CG1 4.22Å; I692-I710 HydrophobicContact CD1-CD1 4.42Å; I692-I710 HydrophobicContact CD1-CG1 4.24Å; I692-N740 WeakPolarHBondContact O-CA 3.3Å; I692-W741 HydrophobicContact CB-CB 4.2Å; I692-W741 PolarHBondContact N-O 2.75Å; I692-W741 PolarHBondContact O-N 2.83Å
693	N	92.1	Very high	93.6	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.011	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.8	-179.2	-61.4	-86.4	0	0	0	110.5	I667 F668 W691 F695 N740	I667-N693 CarbonylContact C-O 3.56Å; I667-N693 WeakPolarHBondContact CA-O 3.33Å; I667-N693 WeakPolarHBondContact CG1-O 3.44Å; F668-N693 HydrophobicContact CB-CB 4.29Å; F668-N693 PolarHBondContact N-O 3.33Å; F668-N693 PolarHBondContact O-N 3.06Å; W691-N693 VanDerWaalsContact CE2-ND2 3.34Å; W691-N693 VanDerWaalsContact CE2-OD1 3.28Å; W691-N693 VanDerWaalsContact CE3-ND2 3.31Å; W691-N693 WeakPolarHBondContact CH2-OD1 3.36Å; W691-N693 WeakPolarHBondContact CZ2-OD1 3.43Å; N693-F695 HydrophobicContact CB-CE2 4.35Å; N693-N740 PolarHBondContact OD1-OD1 3.42Å
694	S	90.8	Very high	93.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139	177.4	177.4	0	0	0	0	111.1	T596 K665 D696 A699 S737	T596-S694 VanDerWaalsContact CG2-O 3.29Å; T596-S694 WeakPolarHBondContact CG2-O 3.26Å; K665-S694 PolarHBondContact NZ-OG 2.97Å; S694-D696 PolarHBondContact OG-N 3.39Å; S694-D696 PolarHBondContact OG-O 3.34Å; S694-D696 VanDerWaalsContact OG-O 3.13Å; S694-A699 VanDerWaalsContact OG-CA 3.26Å; S694-A699 WeakPolarHBondContact OG-CA 3.24Å; S694-A699 PolarHBondContact OG-O 2.69Å; S694-S737 PolarHBondContact O-OG 2.92Å
695	F	88.7	Confident	93.2	Very high	38 Å²	38	28 Å²	28	17%	0.167	15%	0.145	C	C	.	.	S	Bend	trans	-98.7	5.3	-179.3	-80.9	-98.3	0	0	0	114	R593 S594 G595 R666 F668 N693	R593-F695 CarbonylContact C-O 3.47Å; R593-F695 WeakPolarHBondContact CA-O 3.49Å; S594-F695 PolarHBondContact N-O 3Å; G595-F695 WeakPolarHBondContact CA-O 3.29Å; G595-F695 PolarHBondContact N-O 3.45Å; R666-F695 HydrophobicContact CB-CB 4.03Å; R666-F695 PolarHBondContact O-N 3.19Å; F668-F695 HydrophobicContact CB-CE2 4.11Å; F668-F695 HydrophobicContact CD1-CD2 4.23Å; F668-F695 AromaticContact CD1-CE2 3.83Å; F668-F695 HydrophobicContact CD1-CE2 3.83Å; F668-F695 HydrophobicContact CD2-CD2 4.28Å; F668-F695 AromaticContact CD2-CE2 3.16Å; F668-F695 HydrophobicContact CD2-CE2 3.16Å; F668-F695 AromaticContact CD2-CZ 3.37Å; F668-F695 HydrophobicContact CD2-CZ 3.37Å; F668-F695 HydrophobicContact CE1-CD2 4.38Å; F668-F695 HydrophobicContact CE1-CE2 4.02Å; F668-F695 HydrophobicContact CE1-CZ 4.41Å; F668-F695 HydrophobicContact CE2-CD2 4.42Å; F668-F695 HydrophobicContact CE2-CE1 4.1Å; F668-F695 AromaticContact CE2-CE2 3.39Å; F668-F695 HydrophobicContact CE2-CE2 3.39Å; F668-F695 AromaticContact CE2-CZ 3.17Å; F668-F695 HydrophobicContact CE2-CZ 3.17Å; F668-F695 HydrophobicContact CG-CD2 4.19Å; F668-F695 AromaticContact CG-CE2 3.41Å; F668-F695 HydrophobicContact CG-CE2 3.41Å; F668-F695 VanDerWaalsContact CG-CE2 3.41Å; F668-F695 HydrophobicContact CG-CZ 4.1Å; F668-F695 HydrophobicContact CZ-CD2 4.47Å; F668-F695 HydrophobicContact CZ-CE1 4.38Å; F668-F695 AromaticContact CZ-CE2 3.82Å; F668-F695 HydrophobicContact CZ-CE2 3.82Å; F668-F695 AromaticContact CZ-CZ 3.75Å; F668-F695 HydrophobicContact CZ-CZ 3.75Å; N693-F695 HydrophobicContact CB-CE2 4.35Å
696	D	92.4	Very high	92.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-131.7	166	171.8	73.8	52.3	0	0	0	112.7	G595 Y655 K665 S694 T698 A699	G595-D696 CarbonylContact O-C 3.59Å; G595-D696 WeakPolarHBondContact O-CA 3.35Å; Y655-D696 PolarHBondContact OH-OD1 3.19Å; Y655-D696 VanDerWaalsContact OH-OD1 3.11Å; Y655-D696 PolarHBondContact OH-OD2 2.83Å; K665-D696 IonicContact NZ-OD1 2.84Å; K665-D696 PolarHBondContact NZ-OD1 2.93Å; K665-D696 IonicContact NZ-OD2 2.72Å; K665-D696 PolarHBondContact NZ-OD2 2.78Å; S694-D696 PolarHBondContact OG-N 3.39Å; S694-D696 PolarHBondContact OG-O 3.34Å; S694-D696 VanDerWaalsContact OG-O 3.13Å; D696-T698 VanDerWaalsContact C-N 3.26Å; D696-T698 PolarHBondContact O-N 2.92Å; D696-T698 WeakPolarHBondContact OD1-CB 3.35Å; D696-T698 PolarHBondContact OD1-N 3.3Å; D696-T698 PolarHBondContact OD1-OG1 3.09Å; D696-A699 PolarHBondContact O-N 3.46Å; D696-A699 VanDerWaalsContact O-N 3.12Å
697	F	93.4	Very high	92.6	Very high	39 Å²	39	24.3 Å²	24.3	17%	0.171	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.9	-174.9	-171.5	-97.4	0	0	0	115	T457 G595 I598 P599 P600 A699	T457-F697 HydrophobicContact CG2-CE1 3.95Å; T457-F697 HydrophobicContact CG2-CZ 4.14Å; G595-F697 PolarHBondContact O-N 3.46Å; I598-F697 VanDerWaalsContact O-CD2 3.31Å; I598-F697 WeakPolarHBondContact O-CD2 3.47Å; P599-F697 HydrophobicContact CB-CE2 4.17Å; P599-F697 HydrophobicContact CG-CE2 4.41Å; P600-F697 HydrophobicContact CG-CB 3.75Å; P600-F697 HydrophobicContact CG-CD1 4.21Å; P600-F697 HydrophobicContact CG-CG 3.97Å; F697-A699 PolarHBondContact O-N 3.38Å
698	T	92.6	Very high	92.1	Very high	6 Å²	6	25.4 Å²	25.4	4%	0.037	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.2	-178.2	72.1	0	0	0	0	112.5	M463 Y655 K665 D696 V700 Q701	M463-T698 HydrophobicContact CB-CG2 4.36Å; M463-T698 HydrophobicContact CG-CG2 4.11Å; Y655-T698 PolarHBondContact OH-OG1 3.27Å; K665-T698 PolarHBondContact NZ-OG1 2.97Å; D696-T698 VanDerWaalsContact C-N 3.26Å; D696-T698 PolarHBondContact O-N 2.92Å; D696-T698 WeakPolarHBondContact OD1-CB 3.35Å; D696-T698 PolarHBondContact OD1-N 3.3Å; D696-T698 PolarHBondContact OD1-OG1 3.09Å; T698-V700 PolarHBondContact O-N 2.85Å; T698-Q701 WeakPolarHBondContact O-CB 3.4Å; T698-Q701 PolarHBondContact O-N 3.48Å; T698-Q701 VanDerWaalsContact O-N 3.07Å
699	A	91.7	Very high	91.5	Very high	9 Å²	9	27.7 Å²	27.7	7%	0.074	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-130	177.6	0	0	0	0	0	112.3	K665 S694 D696 F697 K739 W741	K665-A699 WeakPolarHBondContact CE-O 3.46Å; K665-A699 PolarHBondContact NZ-O 3.5Å; S694-A699 VanDerWaalsContact OG-CA 3.26Å; S694-A699 WeakPolarHBondContact OG-CA 3.24Å; S694-A699 PolarHBondContact OG-O 2.69Å; D696-A699 PolarHBondContact O-N 3.46Å; D696-A699 VanDerWaalsContact O-N 3.12Å; F697-A699 PolarHBondContact O-N 3.38Å; A699-K739 HydrophobicContact CB-CD 4.46Å; A699-W741 HydrophobicContact CB-CH2 3.37Å; A699-W741 HydrophobicContact CB-CZ2 4.45Å; A699-W741 HydrophobicContact CB-CZ3 3.73Å
700	V	91	Very high	90.9	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.055	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	2.4	177.7	-61.8	0	0	0	0	114.5	I667 I692 T698 H702 I703 T704 I710 W741	I667-V700 HydrophobicContact CD1-CG1 4.44Å; I692-V700 HydrophobicContact CG2-CG1 4.22Å; T698-V700 PolarHBondContact O-N 2.85Å; V700-H702 VanDerWaalsContact C-N 3.26Å; V700-H702 PolarHBondContact O-N 3.36Å; V700-I703 PolarHBondContact O-N 3.18Å; V700-T704 PolarHBondContact O-N 2.94Å; V700-T704 PolarHBondContact O-OG1 3.09Å; V700-T704 VanDerWaalsContact O-OG1 3.05Å; V700-I710 HydrophobicContact CB-CG2 4.32Å; V700-I710 HydrophobicContact CG1-CG2 4.42Å; V700-I710 HydrophobicContact CG2-CG2 4.37Å; V700-W741 HydrophobicContact CG1-CD2 3.93Å; V700-W741 HydrophobicContact CG1-CE3 3.62Å; V700-W741 HydrophobicContact CG1-CZ3 3.94Å; V700-W741 HydrophobicContact CG2-CD2 3.87Å; V700-W741 HydrophobicContact CG2-CE3 4.18Å; V700-W741 HydrophobicContact CG2-CH2 3.99Å; V700-W741 HydrophobicContact CG2-CZ2 3.59Å; V700-W741 HydrophobicContact CG2-CZ3 4.23Å
701	Q	90.6	Very high	90.1	Very high	96 Å²	96	32.9 Å²	32.9	45%	0.449	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-41.8	-170.9	-177.5	-172.9	-11.5	0	0	113.8	G460 T698 P705	G460-Q701 PolarHBondContact O-NE2 3.48Å; T698-Q701 WeakPolarHBondContact O-CB 3.4Å; T698-Q701 PolarHBondContact O-N 3.48Å; T698-Q701 VanDerWaalsContact O-N 3.07Å; Q701-P705 WeakPolarHBondContact O-CD 3.33Å
702	H	91.9	Very high	89.4	Confident	35 Å²	35	38.7 Å²	38.7	16%	0.162	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-13.3	-178	-63.6	-63.5	0	0	0	114.2	F653 Y655 V700 W874	F653-H702 HydrophobicContact CE2-CB 4.33Å; F653-H702 AromaticContact CE2-ND1 3.84Å; Y655-H702 HydrophobicContact CE2-CB 4.44Å; Y655-H702 AromaticContact CE2-CD2 3.69Å; V700-H702 VanDerWaalsContact C-N 3.26Å; V700-H702 PolarHBondContact O-N 3.36Å; H702-W874 HydrophobicContact CB-CH2 3.73Å; H702-W874 HydrophobicContact CB-CZ2 4.37Å; H702-W874 HydrophobicContact CB-CZ3 4.43Å; H702-W874 WeakPolarHBondContact O-CH2 3.36Å
703	I	92.4	Very high	88.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-42.3	-176.6	-59.6	162.3	0	0	0	110.3	K665 I667 V700 P705 Q706 I707 I710 F871 W874	K665-I703 HydrophobicContact CD-CD1 3.79Å; K665-I703 HydrophobicContact CD-CG1 4.04Å; K665-I703 VanDerWaalsContact CE-CD1 3.46Å; I667-I703 HydrophobicContact CD1-CD1 3.38Å; V700-I703 PolarHBondContact O-N 3.18Å; I703-P705 VanDerWaalsContact C-CD 3.41Å; I703-P705 VanDerWaalsContact C-N 3.31Å; I703-Q706 WeakPolarHBondContact O-CA 3.11Å; I703-Q706 WeakPolarHBondContact O-CB 3.3Å; I703-Q706 PolarHBondContact O-N 3.09Å; I703-I707 HydrophobicContact CG2-CD1 3.9Å; I703-I707 HydrophobicContact CG2-CG1 4.21Å; I703-I707 PolarHBondContact O-N 2.88Å; I703-I710 HydrophobicContact CG2-CD1 3.58Å; I703-F871 HydrophobicContact CD1-CE1 3.85Å; I703-F871 HydrophobicContact CG1-CE1 4.26Å; I703-F871 HydrophobicContact CG2-CD1 4.27Å; I703-F871 HydrophobicContact CG2-CE1 3.66Å; I703-F871 HydrophobicContact CG2-CZ 3.98Å; I703-W874 HydrophobicContact CG1-CH2 4.1Å; I703-W874 HydrophobicContact CG1-CZ3 4.42Å
704	T	90.6	Very high	88.3	Confident	21 Å²	21	44.2 Å²	44.2	13%	0.129	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-38.2	-177.4	-55.3	0	0	0	0	114.7	V700 Q706 I707 N711	V700-T704 PolarHBondContact O-N 2.94Å; V700-T704 PolarHBondContact O-OG1 3.09Å; V700-T704 VanDerWaalsContact O-OG1 3.05Å; T704-Q706 PolarHBondContact O-N 2.9Å; T704-I707 CarbonylContact O-C 3.34Å; T704-I707 PolarHBondContact O-N 2.91Å; T704-N711 VanDerWaalsContact CG2-CG 3.43Å; T704-N711 WeakPolarHBondContact CG2-OD1 3.37Å
705	P	90.4	Very high	88	Confident	101 Å²	101	51.7 Å²	51.7	66%	0.656	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-20	175.2	-23.2	35.5	0	0	0	114.7	Q701 I703	Q701-P705 WeakPolarHBondContact O-CD 3.33Å; I703-P705 VanDerWaalsContact C-CD 3.41Å; I703-P705 VanDerWaalsContact C-N 3.31Å
706	Q	89.4	Confident	87.7	Confident	87 Å²	87	50.4 Å²	50.4	41%	0.407	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-26.9	-179.4	-58	-170.1	16.5	0	0	113.2	I703 T704 W874	I703-Q706 WeakPolarHBondContact O-CA 3.11Å; I703-Q706 WeakPolarHBondContact O-CB 3.3Å; I703-Q706 PolarHBondContact O-N 3.09Å; T704-Q706 PolarHBondContact O-N 2.9Å; Q706-W874 VanDerWaalsContact NE2-CZ2 3.27Å
707	I	90.8	Very high	87.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.298	C	S	.	.			trans	-124.6	80.9	176.6	-48.6	-178	0	0	0	107.2	I703 T704 E709 I710 K870 F871	I703-I707 HydrophobicContact CG2-CD1 3.9Å; I703-I707 HydrophobicContact CG2-CG1 4.21Å; I703-I707 PolarHBondContact O-N 2.88Å; T704-I707 CarbonylContact O-C 3.34Å; T704-I707 PolarHBondContact O-N 2.91Å; I707-E709 HydrophobicContact CG2-CB 4.4Å; I707-E709 VanDerWaalsContact CG2-OE2 3.25Å; I707-E709 WeakPolarHBondContact CG2-OE2 3.4Å; I707-E709 PolarHBondContact O-N 3.25Å; I707-E709 VanDerWaalsContact O-N 3.14Å; I707-I710 HydrophobicContact CB-CD1 3.88Å; I707-I710 HydrophobicContact CB-CG1 4.11Å; I707-I710 HydrophobicContact CD1-CD1 4.31Å; I707-I710 HydrophobicContact CG2-CD1 4.07Å; I707-I710 HydrophobicContact CG2-CG1 3.89Å; I707-I710 WeakPolarHBondContact O-CB 3.36Å; I707-I710 PolarHBondContact O-N 2.87Å; I707-K870 HydrophobicContact CD1-CB 4Å; I707-K870 HydrophobicContact CG1-CB 3.93Å; I707-F871 HydrophobicContact CD1-CD1 4.3Å; I707-F871 HydrophobicContact CD1-CD2 3.42Å; I707-F871 VanDerWaalsContact CD1-CD2 3.42Å; I707-F871 HydrophobicContact CD1-CE1 4.34Å; I707-F871 HydrophobicContact CD1-CE2 3.47Å; I707-F871 VanDerWaalsContact CD1-CE2 3.47Å; I707-F871 HydrophobicContact CD1-CG 3.86Å; I707-F871 HydrophobicContact CD1-CZ 3.96Å
708	P	84.5	Confident	86.9	Confident	73 Å²	73	61.2 Å²	61.2	47%	0.474	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-59.9	-22.9	-175.9	-24.2	35.1	0	0	0	113.7	I710 N711	P708-I710 PolarHBondContact O-N 3.28Å; P708-N711 WeakPolarHBondContact O-CA 3.23Å; P708-N711 WeakPolarHBondContact O-CB 3.37Å; P708-N711 PolarHBondContact O-N 2.96Å; P708-N711 PolarHBondContact O-ND2 3.18Å; P708-N711 VanDerWaalsContact O-ND2 3.1Å
709	E	85.9	Confident	86.6	Confident	62 Å²	62	67.6 Å²	67.6	29%	0.29	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-59	-24.6	174.5	-57.9	91.3	150.1	0	0	111.9	I707 N711 D712 L743 K870	I707-E709 HydrophobicContact CG2-CB 4.4Å; I707-E709 VanDerWaalsContact CG2-OE2 3.25Å; I707-E709 WeakPolarHBondContact CG2-OE2 3.4Å; I707-E709 PolarHBondContact O-N 3.25Å; I707-E709 VanDerWaalsContact O-N 3.14Å; E709-N711 PolarHBondContact O-N 3.35Å; E709-D712 WeakPolarHBondContact O-CB 3.45Å; E709-D712 PolarHBondContact O-N 3.15Å; E709-D712 VanDerWaalsContact O-N 3.08Å; E709-L743 WeakPolarHBondContact O-CD1 3.3Å; E709-K870 IonicContact OE1-NZ 3.92Å; E709-K870 PolarHBondContact OE1-NZ 3.21Å
710	I	84	Confident	86.2	Confident	4 Å²	4	72.9 Å²	72.9	2%	0.021	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-68	-20.7	172.1	-60.4	177.3	0	0	0	111	I692 V700 I703 I707 P708 D712 S713	I692-I710 HydrophobicContact CD1-CD1 4.42Å; I692-I710 HydrophobicContact CD1-CG1 4.24Å; V700-I710 HydrophobicContact CB-CG2 4.32Å; V700-I710 HydrophobicContact CG1-CG2 4.42Å; V700-I710 HydrophobicContact CG2-CG2 4.37Å; I703-I710 HydrophobicContact CG2-CD1 3.58Å; I707-I710 HydrophobicContact CB-CD1 3.88Å; I707-I710 HydrophobicContact CB-CG1 4.11Å; I707-I710 HydrophobicContact CD1-CD1 4.31Å; I707-I710 HydrophobicContact CG2-CD1 4.07Å; I707-I710 HydrophobicContact CG2-CG1 3.89Å; I707-I710 WeakPolarHBondContact O-CB 3.36Å; I707-I710 PolarHBondContact O-N 2.87Å; P708-I710 PolarHBondContact O-N 3.28Å; I710-D712 PolarHBondContact O-N 3.13Å; I710-S713 WeakPolarHBondContact O-CB 3.24Å; I710-S713 PolarHBondContact O-N 3.26Å; I710-S713 PolarHBondContact O-OG 3.26Å
711	N	79.5	Confident	86	Confident	107 Å²	107	76.2 Å²	76.2	57%	0.572	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-65.3	-28.9	170.2	-68	-57.2	0	0	0	112.4	T704 P708 E709 S713	T704-N711 VanDerWaalsContact CG2-CG 3.43Å; T704-N711 WeakPolarHBondContact CG2-OD1 3.37Å; P708-N711 WeakPolarHBondContact O-CA 3.23Å; P708-N711 WeakPolarHBondContact O-CB 3.37Å; P708-N711 PolarHBondContact O-N 2.96Å; P708-N711 PolarHBondContact O-ND2 3.18Å; P708-N711 VanDerWaalsContact O-ND2 3.1Å; E709-N711 PolarHBondContact O-N 3.35Å; N711-S713 PolarHBondContact O-N 3.03Å
712	D	79.6	Confident	86	Confident	122 Å²	122	73.3 Å²	73.3	65%	0.652	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-78.6	-5.7	175.5	-55.3	-39.7	0	0	0	111.6	E709 I710 L743	E709-D712 WeakPolarHBondContact O-CB 3.45Å; E709-D712 PolarHBondContact O-N 3.15Å; E709-D712 VanDerWaalsContact O-N 3.08Å; I710-D712 PolarHBondContact O-N 3.13Å; D712-L743 HydrophobicContact CB-CD1 4.35Å
713	S	81	Confident	86	Confident	15 Å²	15	71.6 Å²	71.6	11%	0.105	35%	0.348	C	S	.	.	S	Bend	trans	-74.3	143.4	175.7	77.6	0	0	0	0	111.9	I710 N711 Y742	I710-S713 WeakPolarHBondContact O-CB 3.24Å; I710-S713 PolarHBondContact O-N 3.26Å; I710-S713 PolarHBondContact O-OG 3.26Å; N711-S713 PolarHBondContact O-N 3.03Å; S713-Y742 CarbonylContact C-O 3.54Å; S713-Y742 WeakPolarHBondContact CA-O 3.35Å
714	I	82.9	Confident	86	Confident	105 Å²	105	71.7 Å²	71.7	54%	0.538	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.1	-179.7	-57.1	166.8	0	0	0	107.6	T716 W741 Y742	I714-T716 PolarHBondContact O-N 3.06Å; I714-T716 VanDerWaalsContact O-N 3.08Å; I714-W741 WeakPolarHBondContact O-CA 3.33Å; I714-Y742 PolarHBondContact N-O 3.44Å; I714-Y742 PolarHBondContact O-N 3.43Å
715	R	85.4	Confident	86.1	Confident	156 Å²	156	71.1 Å²	71.1	59%	0.589	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	114.5	170.7	-175.8	176.4	178.6	-170.4	-1.3	108.8	R717	R715-R717 PolarHBondContact O-N 3.21Å
716	T	82.6	Confident	86.2	Confident	12 Å²	12	66.3 Å²	66.3	7%	0.074	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.6	-177.5	59.7	0	0	0	0	109.4	I714 Y727 N740 Y742	I714-T716 PolarHBondContact O-N 3.06Å; I714-T716 VanDerWaalsContact O-N 3.08Å; T716-Y727 HydrophobicContact CG2-CE1 4.16Å; T716-Y727 HydrophobicContact CG2-CE2 4.36Å; T716-Y727 WeakPolarHBondContact CG2-OH 3.21Å; T716-N740 PolarHBondContact N-O 3.44Å; T716-N740 VanDerWaalsContact OG1-C 3.28Å; T716-N740 WeakPolarHBondContact OG1-CB 3.27Å; T716-N740 PolarHBondContact OG1-O 2.91Å; T716-N740 VanDerWaalsContact OG1-O 3.06Å; T716-Y742 VanDerWaalsContact CG2-CB 3.4Å; T716-Y742 HydrophobicContact CG2-CG 4.49Å
717	R	83.7	Confident	86.5	Confident	211 Å²	211	63.2 Å²	63.2	80%	0.796	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-91.1	144.6	166.1	-63.3	-176.2	-175.6	-177.9	1.3	108.6	R715 R719	R715-R717 PolarHBondContact O-N 3.21Å; R717-R719 PolarHBondContact O-N 3.49Å
718	C	84.3	Confident	86.7	Confident	55 Å²	55	63.2 Å²	63.2	37%	0.372	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-61.1	132.5	172.4	-170.7	0	0	0	0	109.4	C725	C718-C725 HydrophobicContact CB-CB 3.87Å; C718-C725 WeakPolarHBondContact CB-SG 3.43Å; C718-C725 WeakPolarHBondContact SG-CB 3.28Å; C718-C725 CovalentContact SG-SG 2.03Å; C718-C725 PolarHBondContact SG-SG 2.9Å
719	R	86.2	Confident	87.2	Confident	140 Å²	140	60.3 Å²	60.3	53%	0.528	28%	0.278	S	S	.	.			trans	-104.3	103.9	176.2	-79	-155.4	-172.9	-164.6	5.5	108	R717 D721 R722	R717-R719 PolarHBondContact O-N 3.49Å; R719-D721 WeakPolarHBondContact CB-OD1 3.16Å; R719-D721 PolarHBondContact O-N 3.25Å; R719-R722 HydrophobicContact CB-CG 4.49Å; R719-R722 PolarHBondContact O-N 3.36Å
720	E	84.8	Confident	87.3	Confident	120 Å²	120	58.8 Å²	58.8	56%	0.561	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-13	-175.7	-51.7	-64.7	153.9	0	0	112.7	R722	E720-R722 PolarHBondContact O-N 3.03Å
721	D	85.4	Confident	87.6	Confident	79 Å²	79	60.6 Å²	60.6	42%	0.422	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	3.3	173.7	65	-62	0	0	0	113.6	R719	R719-D721 WeakPolarHBondContact CB-OD1 3.16Å; R719-D721 PolarHBondContact O-N 3.25Å
722	R	91	Very high	88	Confident	34 Å²	34	55.7 Å²	55.7	13%	0.128	26%	0.255	C	S	.	.	S	Bend	trans	-137.4	136.1	-174.8	-57.8	179.4	-176	-150.4	-8.7	109.7	R719 E720 F724 C725 M886	R719-R722 HydrophobicContact CB-CG 4.49Å; R719-R722 PolarHBondContact O-N 3.36Å; E720-R722 PolarHBondContact O-N 3.03Å; R722-F724 PolarHBondContact O-N 3.32Å; R722-C725 PolarHBondContact O-N 3.28Å; R722-M886 HydrophobicContact CB-SD 4.08Å; R722-M886 HydrophobicContact CG-CE 4.39Å; R722-M886 HydrophobicContact CG-SD 4.03Å
723	P	92.5	Very high	88.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-51.8	131.5	175.1	-21.9	29.7	0	0	0	110.8	C725 G726 Y784 M786 A848 Y884	P723-C725 PolarHBondContact O-N 3.24Å; P723-C725 VanDerWaalsContact O-N 3.12Å; P723-G726 PolarHBondContact O-N 2.61Å; P723-Y784 HydrophobicContact CB-CG 4.46Å; P723-M786 HydrophobicContact CB-CB 4.18Å; P723-M786 HydrophobicContact CG-CB 3.84Å; P723-M786 HydrophobicContact CG-CE 4.46Å; P723-A848 HydrophobicContact CB-CB 4.27Å; P723-A848 HydrophobicContact CG-CB 4.18Å; P723-Y884 PolarHBondContact O-OH 2.9Å
724	F	91.8	Very high	88.5	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	50.2	42.3	177.2	-81.8	-100	0	0	0	113.6	R722 G726 Y727 W729 P732 K734 Y784 E810 F812	R722-F724 PolarHBondContact O-N 3.32Å; F724-G726 PolarHBondContact O-N 2.9Å; F724-G726 VanDerWaalsContact O-N 3.14Å; F724-Y727 PolarHBondContact O-N 2.75Å; F724-W729 HydrophobicContact CD1-CB 4.21Å; F724-W729 HydrophobicContact CD1-CG 4.16Å; F724-W729 VanDerWaalsContact O-CD1 3.26Å; F724-W729 PolarHBondContact O-NE1 3.34Å; F724-P732 HydrophobicContact CE1-CB 4.01Å; F724-P732 HydrophobicContact CZ-CB 4.28Å; F724-K734 HydrophobicContact CD1-CD 4Å; F724-K734 HydrophobicContact CE1-CD 4.19Å; F724-Y784 HydrophobicContact CB-CD1 3.75Å; F724-Y784 HydrophobicContact CB-CE1 3.88Å; F724-Y784 HydrophobicContact CB-CG 4.32Å; F724-Y784 HydrophobicContact CD1-CD1 4.2Å; F724-Y784 HydrophobicContact CD1-CE1 4.16Å; F724-Y784 AromaticContact CD2-CD1 3.24Å; F724-Y784 HydrophobicContact CD2-CD1 3.24Å; F724-Y784 HydrophobicContact CD2-CE1 4.02Å; F724-Y784 AromaticContact CD2-CG 3.97Å; F724-Y784 HydrophobicContact CD2-CG 3.97Å; F724-Y784 AromaticContact CE2-CD1 3.87Å; F724-Y784 HydrophobicContact CE2-CD1 3.87Å; F724-Y784 AromaticContact CG-CD1 3.44Å; F724-Y784 HydrophobicContact CG-CD1 3.44Å; F724-Y784 VanDerWaalsContact CG-CD1 3.44Å; F724-Y784 AromaticContact CG-CE1 3.73Å; F724-Y784 HydrophobicContact CG-CE1 3.73Å; F724-Y784 HydrophobicContact CG-CG 4.33Å; F724-E810 VanDerWaalsContact CA-OE2 3.29Å; F724-E810 WeakPolarHBondContact CA-OE2 3.5Å; F724-E810 HydrophobicContact CD2-CB 4.23Å; F724-E810 WeakPolarHBondContact CD2-OE2 3.39Å; F724-E810 HydrophobicContact CE2-CB 3.75Å; F724-E810 WeakPolarHBondContact CE2-OE2 3.45Å; F724-E810 PolarHBondContact N-OE2 3.15Å; F724-F812 HydrophobicContact CD1-CD2 4.35Å; F724-F812 HydrophobicContact CE1-CB 4.46Å; F724-F812 AromaticContact CE1-CD2 3.86Å; F724-F812 HydrophobicContact CE1-CD2 3.86Å; F724-F812 HydrophobicContact CE2-CB 4.01Å; F724-F812 HydrophobicContact CE2-CD2 4.19Å; F724-F812 HydrophobicContact CZ-CB 3.64Å; F724-F812 AromaticContact CZ-CD2 3.78Å; F724-F812 HydrophobicContact CZ-CD2 3.78Å; F724-F812 HydrophobicContact CZ-CG 4.13Å
725	C	91.8	Very high	88.6	Confident	10 Å²	10	50.2 Å²	50.2	7%	0.068	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	65.4	6.1	-179.9	-45.3	0	0	0	0	115.3	C718 R722 P723 Y727	C718-C725 HydrophobicContact CB-CB 3.87Å; C718-C725 WeakPolarHBondContact CB-SG 3.43Å; C718-C725 WeakPolarHBondContact SG-CB 3.28Å; C718-C725 CovalentContact SG-SG 2.03Å; C718-C725 PolarHBondContact SG-SG 2.9Å; R722-C725 PolarHBondContact O-N 3.28Å; P723-C725 PolarHBondContact O-N 3.24Å; P723-C725 VanDerWaalsContact O-N 3.12Å; C725-Y727 HydrophobicContact CB-CD2 4.11Å; C725-Y727 VanDerWaalsContact O-CD2 3.28Å; C725-Y727 WeakPolarHBondContact O-CD2 3.47Å
726	G	94.1	Very high	88.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	74.2	37.6	-173.9	0	0	0	0	0	114.1	R674 P723 F724	R674-G726 VanDerWaalsContact CD-O 3.29Å; R674-G726 WeakPolarHBondContact CD-O 3.4Å; R674-G726 PolarHBondContact NH1-O 3.26Å; P723-G726 PolarHBondContact O-N 2.61Å; F724-G726 PolarHBondContact O-N 2.9Å; F724-G726 VanDerWaalsContact O-N 3.14Å
727	Y	95.2	Very high	88.7	Confident	22 Å²	22	44 Å²	44	9%	0.086	20%	0.199	C	C	.	.	S	Bend	trans	-135.9	152.6	178	-72	-83.8	0	0	0	112	R674 W691 T716 F724 C725 W729 Y742	R674-Y727 PolarHBondContact NH1-OH 3.12Å; R674-Y727 VanDerWaalsContact NH1-OH 3.14Å; W691-Y727 HydrophobicContact CB-CD1 4.49Å; W691-Y727 AromaticContact CD1-CD1 3.66Å; W691-Y727 AromaticContact CD1-CE1 3.68Å; W691-Y727 AromaticContact CD2-CD1 3.63Å; W691-Y727 HydrophobicContact CD2-CD1 3.63Å; W691-Y727 HydrophobicContact CD2-CE1 4.41Å; W691-Y727 HydrophobicContact CD2-CG 4.16Å; W691-Y727 AromaticContact CE2-CD1 3.59Å; W691-Y727 AromaticContact CE2-CG 3.77Å; W691-Y727 HydrophobicContact CE3-CD1 4.28Å; W691-Y727 AromaticContact CG-CD1 3.71Å; W691-Y727 HydrophobicContact CG-CD1 3.71Å; W691-Y727 HydrophobicContact CG-CE1 4.06Å; W691-Y727 HydrophobicContact CH2-CG 4.44Å; W691-Y727 HydrophobicContact CZ2-CD1 4.22Å; W691-Y727 AromaticContact CZ2-CG 3.93Å; W691-Y727 HydrophobicContact CZ2-CG 3.93Å; W691-Y727 AromaticContact NE1-CD1 3.58Å; W691-Y727 AromaticContact NE1-CE1 3.83Å; T716-Y727 HydrophobicContact CG2-CE1 4.16Å; T716-Y727 HydrophobicContact CG2-CE2 4.36Å; T716-Y727 WeakPolarHBondContact CG2-OH 3.21Å; F724-Y727 PolarHBondContact O-N 2.75Å; C725-Y727 HydrophobicContact CB-CD2 4.11Å; C725-Y727 VanDerWaalsContact O-CD2 3.28Å; C725-Y727 WeakPolarHBondContact O-CD2 3.47Å; Y727-W729 PolarHBondContact O-N 2.93Å; Y727-Y742 AromaticContact CE1-CD2 3.96Å; Y727-Y742 HydrophobicContact CE1-CD2 3.96Å; Y727-Y742 HydrophobicContact CE1-CE2 4.35Å
728	P	95.6	Very high	88.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.19	C	C	.	.			trans	-78.8	79	-177.2	34.3	-37.8	0	0	0	111.5	Q670 T672 W691 F730 H852 S882	Q670-P728 PolarHBondContact NE2-O 2.66Å; Q670-P728 PolarHBondContact OE1-O 3.32Å; T672-P728 HydrophobicContact CG2-CG 4.41Å; W691-P728 HydrophobicContact CE3-CG 3.95Å; W691-P728 HydrophobicContact CZ3-CG 4.14Å; W691-P728 WeakPolarHBondContact CZ3-O 3.41Å; P728-F730 PolarHBondContact O-N 3.29Å; P728-H852 PolarHBondContact O-CE1 2.85Å; P728-S882 WeakPolarHBondContact CG-OG 3.42Å
729	W	93.3	Very high	89	Confident	11 Å²	11	41.5 Å²	41.5	4%	0.042	18%	0.183	C	C	.	.			trans	-73.3	119.8	173.2	-72.4	92.4	0	0	0	112.1	W691 F724 Y727 V733 K734 S782 Y784 F812	W691-W729 AromaticContact CH2-CD2 3.65Å; W691-W729 HydrophobicContact CH2-CD2 3.65Å; W691-W729 AromaticContact CH2-CE2 3.48Å; W691-W729 VanDerWaalsContact CH2-CE2 3.48Å; W691-W729 HydrophobicContact CH2-CE3 4.03Å; W691-W729 HydrophobicContact CH2-CG 4.08Å; W691-W729 HydrophobicContact CH2-CH2 4.05Å; W691-W729 AromaticContact CH2-CZ2 3.73Å; W691-W729 HydrophobicContact CH2-CZ2 3.73Å; W691-W729 HydrophobicContact CH2-CZ3 4.2Å; W691-W729 AromaticContact CH2-NE1 3.8Å; W691-W729 HydrophobicContact CZ2-CD2 4.44Å; W691-W729 AromaticContact CZ2-CE2 3.83Å; W691-W729 HydrophobicContact CZ2-CH2 4.1Å; W691-W729 AromaticContact CZ2-CZ2 3.67Å; W691-W729 HydrophobicContact CZ2-CZ2 3.67Å; F724-W729 HydrophobicContact CD1-CB 4.21Å; F724-W729 HydrophobicContact CD1-CG 4.16Å; F724-W729 VanDerWaalsContact O-CD1 3.26Å; F724-W729 PolarHBondContact O-NE1 3.34Å; Y727-W729 PolarHBondContact O-N 2.93Å; W729-V733 HydrophobicContact CE3-CG2 4.07Å; W729-V733 HydrophobicContact CZ3-CG2 3.93Å; W729-K734 HydrophobicContact CD2-CB 4.28Å; W729-K734 HydrophobicContact CH2-CB 4.29Å; W729-K734 HydrophobicContact CZ2-CB 3.76Å; W729-S782 PolarHBondContact O-OG 2.85Å; W729-S782 VanDerWaalsContact O-OG 3.05Å; W729-Y784 WeakPolarHBondContact CA-OH 3.23Å; W729-Y784 HydrophobicContact CB-CE1 4.22Å; W729-Y784 PolarHBondContact N-OH 3.4Å; W729-Y784 PolarHBondContact O-OH 3.09Å; W729-F812 WeakPolarHBondContact O-CE2 3.4Å
730	F	89	Confident	89.2	Confident	30 Å²	30	35.3 Å²	35.3	13%	0.132	16%	0.16	C	C	.	.	S	Bend	trans	-75.6	-27	173.1	159.4	-101.4	0	0	0	113	P728 F812 F814 F854	P728-F730 PolarHBondContact O-N 3.29Å; F730-F812 WeakPolarHBondContact O-CZ 3.32Å; F730-F814 AromaticContact CD2-CE2 3.51Å; F730-F814 HydrophobicContact CD2-CE2 3.51Å; F730-F814 AromaticContact CD2-CZ 3.8Å; F730-F814 HydrophobicContact CD2-CZ 3.8Å; F730-F814 HydrophobicContact CE2-CE1 4.28Å; F730-F814 AromaticContact CE2-CE2 3.54Å; F730-F814 HydrophobicContact CE2-CE2 3.54Å; F730-F814 AromaticContact CE2-CZ 3.29Å; F730-F814 HydrophobicContact CE2-CZ 3.29Å; F730-F814 HydrophobicContact CZ-CZ 4.16Å; F730-F854 AromaticContact CD2-CE2 3.81Å; F730-F854 HydrophobicContact CD2-CE2 3.81Å; F730-F854 AromaticContact CD2-CZ 3.42Å; F730-F854 HydrophobicContact CD2-CZ 3.42Å; F730-F854 VanDerWaalsContact CD2-CZ 3.42Å; F730-F854 AromaticContact CE2-CE2 3.68Å; F730-F854 HydrophobicContact CE2-CE2 3.68Å; F730-F854 AromaticContact CE2-CZ 3.63Å; F730-F854 HydrophobicContact CE2-CZ 3.63Å; F730-F854 HydrophobicContact CG-CZ 4Å; F730-F854 HydrophobicContact CZ-CZ 4.44Å
731	L	89.4	Confident	89.6	Confident	42 Å²	42	31.3 Å²	31.3	22%	0.22	14%	0.14	C	C	.	.	S	Bend	trans	-134	155.1	174.8	-71.6	170.4	0	0	0	109.5	F157 V235 V733	F157-L731 HydrophobicContact CE2-CD2 3.98Å; V235-L731 HydrophobicContact CG2-CD2 3.96Å; L731-V733 HydrophobicContact CB-CG1 4.02Å; L731-V733 HydrophobicContact CB-CG2 4.16Å; L731-V733 PolarHBondContact O-N 2.85Å
732	P	88.2	Confident	90	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.032	12%	0.123	C	C	.	.	S	Bend	trans	-76.4	42.8	-177.6	32.1	-34.9	0	0	0	113.6	L154 F157 F724 K734 F812	L154-P732 HydrophobicContact CB-CG 4.16Å; F157-P732 HydrophobicContact CD2-CG 4.06Å; F724-P732 HydrophobicContact CE1-CB 4.01Å; F724-P732 HydrophobicContact CZ-CB 4.28Å; P732-K734 PolarHBondContact O-N 3.3Å; P732-F812 HydrophobicContact CB-CB 4.16Å; P732-F812 HydrophobicContact CB-CD1 4.13Å; P732-F812 HydrophobicContact CB-CD2 4.16Å; P732-F812 HydrophobicContact CB-CG 3.89Å; P732-F812 HydrophobicContact CG-CD1 4.01Å; P732-F812 HydrophobicContact CG-CE1 4.33Å; P732-F812 HydrophobicContact CG-CG 4.29Å
733	V	86.3	Confident	90.2	Very high	15 Å²	15	27.5 Å²	27.5	9%	0.091	12%	0.121	C	C	.	.			trans	-98.1	21.1	-171.8	-63.1	0	0	0	0	114.1	L154 W729 L731 F735 L736 S737	L154-V733 HydrophobicContact CB-CG1 4.35Å; L154-V733 HydrophobicContact CD1-CG1 3.68Å; L154-V733 HydrophobicContact CD2-CG1 4.08Å; L154-V733 HydrophobicContact CG-CG1 4.25Å; W729-V733 HydrophobicContact CE3-CG2 4.07Å; W729-V733 HydrophobicContact CZ3-CG2 3.93Å; L731-V733 HydrophobicContact CB-CG1 4.02Å; L731-V733 HydrophobicContact CB-CG2 4.16Å; L731-V733 PolarHBondContact O-N 2.85Å; V733-F735 PolarHBondContact O-N 3.11Å; V733-L736 HydrophobicContact CB-CB 4.41Å; V733-L736 HydrophobicContact CB-CD1 4.19Å; V733-L736 HydrophobicContact CG1-CD1 4.12Å; V733-L736 PolarHBondContact O-N 2.72Å; V733-S737 PolarHBondContact O-N 2.69Å
734	K	86.1	Confident	90.3	Very high	20 Å²	20	31.3 Å²	31.3	9%	0.087	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.6	-179.6	71.3	-179.1	179.6	-164.6	0	113.1	F724 W729 P732 D806 E810	F724-K734 HydrophobicContact CD1-CD 4Å; F724-K734 HydrophobicContact CE1-CD 4.19Å; W729-K734 HydrophobicContact CD2-CB 4.28Å; W729-K734 HydrophobicContact CH2-CB 4.29Å; W729-K734 HydrophobicContact CZ2-CB 3.76Å; P732-K734 PolarHBondContact O-N 3.3Å; K734-D806 WeakPolarHBondContact CE-OD2 3.38Å; K734-D806 IonicContact NZ-OD2 3.26Å; K734-D806 PolarHBondContact NZ-OD2 3.08Å; K734-E810 IonicContact NZ-OE1 2.98Å; K734-E810 PolarHBondContact NZ-OE1 2.91Å; K734-E810 IonicContact NZ-OE2 3.53Å; K734-E810 PolarHBondContact NZ-OE2 2.86Å
735	F	84.8	Confident	90.4	Very high	91 Å²	91	32.4 Å²	32.4	40%	0.399	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-27.4	176.5	71.6	-83.3	0	0	0	113.4	L154 V733	L154-F735 VanDerWaalsContact O-CE1 3.32Å; L154-F735 WeakPolarHBondContact O-CE1 3.35Å; V733-F735 PolarHBondContact O-N 3.11Å
736	L	83.6	Confident	90.6	Very high	37 Å²	37	35.4 Å²	35.4	19%	0.194	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-35.8	177.5	-65.3	176.4	0	0	0	112.2	L154 G595 T596 V733	L154-L736 HydrophobicContact CD2-CD1 4.33Å; G595-L736 CarbonylContact C-O 3.51Å; G595-L736 VanDerWaalsContact CA-O 3.31Å; G595-L736 WeakPolarHBondContact CA-O 3.26Å; T596-L736 PolarHBondContact N-O 3.36Å; V733-L736 HydrophobicContact CB-CB 4.41Å; V733-L736 HydrophobicContact CB-CD1 4.19Å; V733-L736 HydrophobicContact CG1-CD1 4.12Å; V733-L736 PolarHBondContact O-N 2.72Å
737	S	85.1	Confident	90.7	Very high	2 Å²	2	40 Å²	40	1%	0.014	20%	0.196	C	C	.	.			trans	-117.5	78.7	-179.4	-169.9	0	0	0	0	111.6	S694 V733 N740	S694-S737 PolarHBondContact O-OG 2.92Å; V733-S737 PolarHBondContact O-N 2.69Å; S737-N740 PolarHBondContact O-ND2 2.97Å; S737-N740 PolarHBondContact O-OD1 2.86Å; S737-N740 PolarHBondContact OG-OD1 3.32Å
738	R	86.2	Confident	90.7	Very high	164 Å²	164	39.3 Å²	39.3	62%	0.619	19%	0.194	S	C	*	.			trans	-84.8	-18.1	178	-61	-176.3	173.3	-168.7	-7.3	113.4	T596 E597	T596-R738 PolarHBondContact OG1-N 3.41Å; T596-R738 VanDerWaalsContact OG1-N 3.11Å; E597-R738 HydrophobicContact CG-CB 4.18Å; E597-R738 HydrophobicContact CG-CG 3.88Å
739	K	89.3	Confident	90.5	Very high	49 Å²	49	44.2 Å²	44.2	21%	0.213	23%	0.228	C	C	.	.			trans	-98.6	99	178.9	-54.3	176.1	-167.8	147.2	0	109.2	T596 A699 W741	T596-K739 HydrophobicContact CG2-CB 4.02Å; T596-K739 PolarHBondContact O-NZ 3.16Å; T596-K739 PolarHBondContact OG1-N 2.92Å; A699-K739 HydrophobicContact CB-CD 4.46Å; K739-W741 VanDerWaalsContact C-CZ3 3.46Å; K739-W741 HydrophobicContact CB-CH2 3.71Å; K739-W741 HydrophobicContact CB-CZ3 3.93Å; K739-W741 WeakPolarHBondContact O-CZ3 3.35Å
740	N	90.7	Very high	90.5	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	160.8	178.2	-44.9	-53.2	0	0	0	110.7	I692 N693 T716 S737	I692-N740 WeakPolarHBondContact O-CA 3.3Å; N693-N740 PolarHBondContact OD1-OD1 3.42Å; T716-N740 PolarHBondContact N-O 3.44Å; T716-N740 VanDerWaalsContact OG1-C 3.28Å; T716-N740 WeakPolarHBondContact OG1-CB 3.27Å; T716-N740 PolarHBondContact OG1-O 2.91Å; T716-N740 VanDerWaalsContact OG1-O 3.06Å; S737-N740 PolarHBondContact O-ND2 2.97Å; S737-N740 PolarHBondContact O-OD1 2.86Å; S737-N740 PolarHBondContact OG-OD1 3.32Å
741	W	92.8	Very high	90.5	Very high	37 Å²	37	46 Å²	46	14%	0.14	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149	-176.1	-71.7	-99.3	0	0	0	111.3	I692 A699 V700 I714 K739	I692-W741 HydrophobicContact CB-CB 4.2Å; I692-W741 PolarHBondContact N-O 2.75Å; I692-W741 PolarHBondContact O-N 2.83Å; A699-W741 HydrophobicContact CB-CH2 3.37Å; A699-W741 HydrophobicContact CB-CZ2 4.45Å; A699-W741 HydrophobicContact CB-CZ3 3.73Å; V700-W741 HydrophobicContact CG1-CD2 3.93Å; V700-W741 HydrophobicContact CG1-CE3 3.62Å; V700-W741 HydrophobicContact CG1-CZ3 3.94Å; V700-W741 HydrophobicContact CG2-CD2 3.87Å; V700-W741 HydrophobicContact CG2-CE3 4.18Å; V700-W741 HydrophobicContact CG2-CH2 3.99Å; V700-W741 HydrophobicContact CG2-CZ2 3.59Å; V700-W741 HydrophobicContact CG2-CZ3 4.23Å; I714-W741 WeakPolarHBondContact O-CA 3.33Å; K739-W741 VanDerWaalsContact C-CZ3 3.46Å; K739-W741 HydrophobicContact CB-CH2 3.71Å; K739-W741 HydrophobicContact CB-CZ3 3.93Å; K739-W741 WeakPolarHBondContact O-CZ3 3.35Å
742	Y	94.1	Very high	90.3	Very high	15 Å²	15	47.4 Å²	47.4	6%	0.059	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	117.2	178.8	-170	-109.7	0	0	0	110.2	T672 D687 S688 G689 W691 S713 I714 T716 Y727	T672-Y742 HydrophobicContact CG2-CE2 4.01Å; D687-Y742 PolarHBondContact OD1-OH 2.91Å; S688-Y742 VanDerWaalsContact CA-OH 3.29Å; S688-Y742 WeakPolarHBondContact CA-OH 3.44Å; S688-Y742 PolarHBondContact N-OH 3.41Å; S688-Y742 PolarHBondContact O-OH 3.45Å; G689-Y742 PolarHBondContact N-OH 3.4Å; W691-Y742 HydrophobicContact CB-CD2 4.11Å; S713-Y742 CarbonylContact C-O 3.54Å; S713-Y742 WeakPolarHBondContact CA-O 3.35Å; I714-Y742 PolarHBondContact N-O 3.44Å; I714-Y742 PolarHBondContact O-N 3.43Å; T716-Y742 VanDerWaalsContact CG2-CB 3.4Å; T716-Y742 HydrophobicContact CG2-CG 4.49Å; Y727-Y742 AromaticContact CE1-CD2 3.96Å; Y727-Y742 HydrophobicContact CE1-CD2 3.96Å; Y727-Y742 HydrophobicContact CE1-CE2 4.35Å
743	L	94.1	Very high	90.4	Very high	18 Å²	18	51.4 Å²	51.4	9%	0.094	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	112.5	177.1	178.8	62.7	0	0	0	109	G689 I690 E709 D712 A745 I867	G689-L743 CarbonylContact C-O 3.57Å; G689-L743 WeakPolarHBondContact CA-O 3.3Å; I690-L743 HydrophobicContact CB-CB 4.44Å; I690-L743 PolarHBondContact N-O 3.44Å; I690-L743 PolarHBondContact O-N 2.81Å; E709-L743 WeakPolarHBondContact O-CD1 3.3Å; D712-L743 HydrophobicContact CB-CD1 4.35Å; L743-A745 PolarHBondContact O-N 3.42Å; L743-I867 HydrophobicContact CD2-CD1 3.35Å
744	P	94.8	Very high	90.8	Very high	79 Å²	79	52.1 Å²	52.1	51%	0.513	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	136.4	179.2	-26.9	35.6	0	0	0	112.5
745	A	94.9	Very high	91.2	Very high	24 Å²	24	56 Å²	56	20%	0.198	32%	0.321	C	S	.	.			trans	-150.4	163.1	-178.6	0	0	0	0	0	110	H671 S688 I690 L743	H671-A745 WeakPolarHBondContact NE2-CB 3.45Å; S688-A745 CarbonylContact C-O 3.46Å; S688-A745 VanDerWaalsContact C-O 3.27Å; S688-A745 WeakPolarHBondContact CB-O 3.43Å; S688-A745 PolarHBondContact O-N 2.95Å; S688-A745 VanDerWaalsContact O-O 3.04Å; I690-A745 HydrophobicContact CG1-CB 4.23Å; L743-A745 PolarHBondContact O-N 3.42Å
746	P	95.9	Very high	91.8	Very high	73 Å²	73	52.4 Å²	52.4	47%	0.474	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-56.7	161	176.3	-26.8	38.3	0	0	0	113.3	H671 S688 Q863	H671-P746 PolarHBondContact NE2-O 2.92Å; S688-P746 WeakPolarHBondContact CB-O 2.97Å; S688-P746 PolarHBondContact OG-O 3.45Å; P746-Q863 HydrophobicContact CG-CG 4.35Å
747	E	95.9	Very high	92.3	Very high	97 Å²	97	52.8 Å²	52.8	45%	0.453	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-63.3	144.5	177.3	-66	-173	167.9	0	0	112.1	T673 R686 S688	T673-E747 HydrophobicContact CG2-CG 4.48Å; T673-E747 WeakPolarHBondContact OG1-CA 3.47Å; R686-E747 VanDerWaalsContact CZ-CD 3.49Å; R686-E747 IonicContact CZ-OE1 3.65Å; R686-E747 IonicContact CZ-OE2 3.88Å; R686-E747 IonicContact NE-OE1 2.77Å; R686-E747 IonicContact NH1-OE1 3.63Å; R686-E747 PolarHBondContact NH1-OE1 3.18Å; R686-E747 IonicContact NH1-OE2 3.97Å; R686-E747 PolarHBondContact NH1-OE2 3.19Å; R686-E747 IonicContact NH2-OE2 2.95Å; R686-E747 PolarHBondContact NH2-OE2 2.95Å; S688-E747 WeakPolarHBondContact OG-CA 3.34Å
748	V	95.3	Very high	92.8	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.042	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-91.6	144.1	169.6	-57.3	0	0	0	0	109.5	H671 T673 T861 V881 T883	H671-V748 HydrophobicContact CB-CG1 4.2Å; H671-V748 VanDerWaalsContact CD2-CG1 3.48Å; H671-V748 WeakPolarHBondContact CD2-CG1 3.33Å; H671-V748 VanDerWaalsContact CG-CG1 3.47Å; T673-V748 WeakPolarHBondContact OG1-CG2 3.35Å; T673-V748 PolarHBondContact OG1-N 3.13Å; V748-T861 HydrophobicContact CG1-CG2 4.05Å; V748-V881 HydrophobicContact CB-CG1 3.91Å; V748-V881 HydrophobicContact CG1-CG1 4.13Å; V748-V881 HydrophobicContact CG2-CG1 3.87Å; V748-T883 HydrophobicContact CG2-CG2 4.49Å
749	S	91.7	Very high	93.3	Very high	104 Å²	104	51.6 Å²	51.6	73%	0.727	32%	0.319	S	S	*	.			trans	-139.3	80.1	176.8	-64.1	0	0	0	0	108.8
750	P	92.7	Very high	93.7	Very high	16 Å²	16	50.8 Å²	50.8	10%	0.104	32%	0.32	C	S	.	.			trans	-58.1	146.7	176.9	-20.9	32.9	0	0	0	111.2	S752 Y853 D858 V881 T883	P750-S752 PolarHBondContact O-N 3.03Å; P750-Y853 HydrophobicContact CB-CD1 4.07Å; P750-Y853 HydrophobicContact CB-CD2 4.35Å; P750-Y853 HydrophobicContact CB-CE1 3.45Å; P750-Y853 VanDerWaalsContact CB-CE1 3.45Å; P750-Y853 HydrophobicContact CB-CE2 3.8Å; P750-Y853 HydrophobicContact CB-CG 4.5Å; P750-Y853 HydrophobicContact CG-CD2 4.04Å; P750-Y853 HydrophobicContact CG-CE1 4.08Å; P750-Y853 HydrophobicContact CG-CE2 3.43Å; P750-Y853 VanDerWaalsContact CG-CE2 3.43Å; P750-Y853 VanDerWaalsContact CG-CZ 3.45Å; P750-D858 HydrophobicContact CB-CB 4.26Å; P750-V881 HydrophobicContact CG-CG1 4.1Å; P750-T883 HydrophobicContact CG-CG2 4.42Å
751	G	87.9	Confident	93.9	Very high	63 Å²	63	55.3 Å²	55.3	65%	0.649	34%	0.339	S	S	*	.	S	Bend	trans	-63.2	-26.6	178.5	0	0	0	0	0	113.6	P753 D858	G751-P753 WeakPolarHBondContact O-CD 3.4Å; G751-D858 VanDerWaalsContact N-CG 3.27Å; G751-D858 PolarHBondContact N-OD1 3.33Å; G751-D858 PolarHBondContact N-OD2 2.96Å; G751-D858 VanDerWaalsContact N-OD2 3.16Å
752	S	86.3	Confident	94	Very high	71 Å²	71	59.2 Å²	59.2	50%	0.497	36%	0.359	S	S	.	.	S	Bend	trans	-116.4	74.5	175.3	-58.2	0	0	0	0	111.7	P750 Y853 D858	P750-S752 PolarHBondContact O-N 3.03Å; S752-Y853 PolarHBondContact O-OH 3.45Å; S752-D858 PolarHBondContact N-OD2 3.44Å
753	P	90.9	Very high	94	Very high	88 Å²	88	66 Å²	66	57%	0.571	39%	0.391	S	S	*	.			trans	-66.5	159.4	-177.1	29.9	-36	0	0	0	112.2	G751	G751-P753 WeakPolarHBondContact O-CD 3.4Å
754	V	94.1	Very high	93.8	Very high	30 Å²	30	66.6 Å²	66.6	18%	0.182	40%	0.396	C	S	.	.			trans	-71.2	133.2	174.8	70.2	0	0	0	0	111.1	F756 V775 K776 M781 I849 T851	V754-F756 HydrophobicContact CG2-CB 4.42Å; V754-V775 HydrophobicContact CG2-CG1 3.9Å; V754-K776 CarbonylContact C-O 3.43Å; V754-K776 WeakPolarHBondContact CA-O 3.32Å; V754-M781 HydrophobicContact CG2-SD 4.24Å; V754-I849 HydrophobicContact CG2-CG1 4.43Å; V754-I849 HydrophobicContact CG2-CG2 4.47Å; V754-T851 HydrophobicContact CB-CG2 3.59Å; V754-T851 HydrophobicContact CG1-CG2 4.23Å; V754-T851 HydrophobicContact CG2-CG2 3.77Å
755	D	95	Very high	93.4	Very high	102 Å²	102	68.4 Å²	68.4	55%	0.545	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	103.2	167	-179.1	15	0	0	0	107.7	V775 K776	D755-V775 CarbonylContact O-C 3.59Å; D755-V775 VanDerWaalsContact O-CA 3.26Å; D755-V775 WeakPolarHBondContact O-CA 3.4Å; D755-K776 HydrophobicContact CB-CB 4.44Å; D755-K776 PolarHBondContact N-O 2.84Å; D755-K776 PolarHBondContact O-N 3.3Å
756	F	95.6	Very high	92.9	Very high	16 Å²	16	77.8 Å²	77.8	7%	0.07	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.1	-177.6	-179.5	-96.1	0	0	0	109.5	V754 F773 V775 F826 V847 I849 Y887	V754-F756 HydrophobicContact CG2-CB 4.42Å; F756-F773 AromaticContact CE1-CD1 3.78Å; F756-F773 HydrophobicContact CE1-CD1 3.78Å; F756-F773 AromaticContact CE1-CE1 3.91Å; F756-F773 HydrophobicContact CE1-CE1 3.91Å; F756-F773 HydrophobicContact CE2-CB 4.38Å; F756-F773 AromaticContact CE2-CD1 3.95Å; F756-F773 HydrophobicContact CE2-CD1 3.95Å; F756-F773 HydrophobicContact CE2-CG 4.4Å; F756-F773 AromaticContact CZ-CD1 3.27Å; F756-F773 HydrophobicContact CZ-CD1 3.27Å; F756-F773 AromaticContact CZ-CE1 3.64Å; F756-F773 HydrophobicContact CZ-CE1 3.64Å; F756-F773 HydrophobicContact CZ-CG 4.06Å; F756-V775 HydrophobicContact CD2-CB 4.27Å; F756-V775 HydrophobicContact CD2-CG1 4.08Å; F756-V775 HydrophobicContact CD2-CG2 3.32Å; F756-V775 HydrophobicContact CE2-CG2 3.62Å; F756-V775 HydrophobicContact CG-CG2 4.46Å; F756-F826 HydrophobicContact CE2-CZ 4.16Å; F756-V847 HydrophobicContact CE1-CG1 4.4Å; F756-V847 HydrophobicContact CZ-CG1 3.76Å; F756-I849 HydrophobicContact CB-CG2 4.05Å; F756-I849 HydrophobicContact CD1-CG2 4.5Å; F756-I849 HydrophobicContact CD2-CB 4.08Å; F756-I849 HydrophobicContact CD2-CG1 4.37Å; F756-I849 HydrophobicContact CD2-CG2 3.93Å; F756-I849 HydrophobicContact CE2-CB 4.4Å; F756-I849 HydrophobicContact CG-CG2 3.91Å; F756-Y887 AromaticContact CD1-CD2 3.65Å; F756-Y887 HydrophobicContact CD1-CD2 3.65Å; F756-Y887 AromaticContact CD1-CE2 3.32Å; F756-Y887 HydrophobicContact CD1-CE2 3.32Å; F756-Y887 HydrophobicContact CD1-CG 4.45Å; F756-Y887 AromaticContact CD1-CZ 3.87Å; F756-Y887 AromaticContact CE1-CD2 3.63Å; F756-Y887 HydrophobicContact CE1-CD2 3.63Å; F756-Y887 AromaticContact CE1-CE2 3.83Å; F756-Y887 HydrophobicContact CE1-CE2 3.83Å; F756-Y887 HydrophobicContact CE1-CG 4.28Å; F756-Y887 HydrophobicContact CG-CE2 4.21Å
757	S	95.1	Very high	92.6	Very high	45 Å²	45	75.7 Å²	75.7	32%	0.315	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.7	-176.8	60.1	0	0	0	0	113	F773 S774	S757-F773 VanDerWaalsContact O-CA 3.3Å; S757-F773 WeakPolarHBondContact O-CA 3.31Å; S757-S774 PolarHBondContact N-O 2.93Å; S757-S774 PolarHBondContact O-N 3.2Å; S757-S774 PolarHBondContact OG-O 3.47Å
758	L	96.1	Very high	92.4	Very high	59 Å²	59	71.4 Å²	71.4	31%	0.309	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	113.2	166.6	176.9	72.9	0	0	0	108.2	S760 K761 M771 T772 F773 Y889	L758-S760 WeakPolarHBondContact CD1-O 3.21Å; L758-K761 HydrophobicContact CD2-CB 4.31Å; L758-M771 HydrophobicContact CD1-CB 3.91Å; L758-M771 HydrophobicContact CD1-CG 4.37Å; L758-T772 WeakPolarHBondContact CD1-O 3.39Å; L758-F773 HydrophobicContact CB-CD1 4.25Å; L758-F773 HydrophobicContact CB-CE1 3.99Å; L758-F773 HydrophobicContact CD1-CD1 4.2Å; L758-F773 HydrophobicContact CD1-CD2 4.43Å; L758-F773 HydrophobicContact CD1-CE1 3.72Å; L758-F773 HydrophobicContact CD1-CE2 3.95Å; L758-F773 HydrophobicContact CD1-CZ 3.59Å; L758-F773 HydrophobicContact CG-CE1 4.46Å; L758-Y889 HydrophobicContact CB-CE1 4.18Å; L758-Y889 HydrophobicContact CD2-CD1 3.98Å; L758-Y889 HydrophobicContact CD2-CE1 3.72Å; L758-Y889 HydrophobicContact CG-CE1 4.47Å
759	T	96.8	Very high	92.4	Very high	81 Å²	81	71.9 Å²	71.9	50%	0.497	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-32.9	-175.9	58.6	0	0	0	0	112.8	T772	T759-T772 PolarHBondContact N-O 3.35Å; T759-T772 WeakPolarHBondContact OG1-CG2 3.38Å; T759-T772 PolarHBondContact OG1-O 2.96Å; T759-T772 VanDerWaalsContact OG1-O 3.06Å
760	S	96.7	Very high	92.6	Very high	32 Å²	32	69.5 Å²	69.5	22%	0.224	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.8	174.5	72.5	0	0	0	0	112.6	L758 M771 T772	L758-S760 WeakPolarHBondContact CD1-O 3.21Å; S760-M771 WeakPolarHBondContact O-CA 3.35Å; S760-T772 PolarHBondContact N-O 2.94Å; S760-T772 PolarHBondContact O-N 3.09Å; S760-T772 VanDerWaalsContact OG-CB 3.27Å; S760-T772 WeakPolarHBondContact OG-CB 3.36Å; S760-T772 PolarHBondContact OG-OG1 2.64Å
761	K	95.1	Very high	92.8	Very high	105 Å²	105	68.7 Å²	68.7	46%	0.457	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	112.5	173.7	-179.2	172.6	178.8	170.1	0	108.1	L758 V769 K770 M771 Y889	L758-K761 HydrophobicContact CD2-CB 4.31Å; K761-V769 HydrophobicContact CD-CG1 4.5Å; K761-V769 HydrophobicContact CG-CG1 3.84Å; K761-K770 WeakPolarHBondContact CA-O 3.45Å; K761-M771 HydrophobicContact CD-CE 4.19Å; K761-M771 HydrophobicContact CG-CG 4.39Å; K761-Y889 PolarHBondContact NZ-OXT 2.91Å
762	E	95.5	Very high	93.3	Very high	118 Å²	118	66.8 Å²	66.8	55%	0.551	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.8	-171.4	-66.5	171.1	-157.9	0	0	110.2	V769 K770	E762-V769 CarbonylContact O-C 3.56Å; E762-V769 WeakPolarHBondContact O-CA 3.5Å; E762-K770 PolarHBondContact N-O 3.25Å; E762-K770 PolarHBondContact O-N 3.23Å
763	E	92.8	Very high	93.8	Very high	159 Å²	159	63.4 Å²	63.4	74%	0.743	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.9	170.9	-168.4	175.3	177	0	0	109.2
764	T	91.3	Very high	94.2	Very high	30 Å²	30	60.4 Å²	60.4	18%	0.184	32%	0.32	C	S	.	.			trans	-83.2	164	-179.5	78.3	0	0	0	0	110.8	W766 G767 T768 K770	T764-W766 PolarHBondContact O-N 2.91Å; T764-W766 PolarHBondContact OG1-N 3.03Å; T764-G767 PolarHBondContact O-N 3.07Å; T764-G767 VanDerWaalsContact O-N 3.08Å; T764-T768 WeakPolarHBondContact CB-OG1 3.35Å; T764-T768 VanDerWaalsContact CG2-OG1 3.22Å; T764-T768 WeakPolarHBondContact CG2-OG1 3.15Å; T764-T768 PolarHBondContact N-O 3.38Å; T764-T768 PolarHBondContact OG1-N 3.27Å; T764-T768 PolarHBondContact OG1-O 3.39Å; T764-T768 PolarHBondContact OG1-OG1 2.92Å; T764-K770 HydrophobicContact CG2-CB 4.12Å
765	S	86.3	Confident	94.3	Very high	116 Å²	116	59 Å²	59	81%	0.811	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.9	175.3	55.9	0	0	0	0	114.5
766	W	84.3	Confident	94.3	Very high	222 Å²	222	60.2 Å²	60.2	84%	0.841	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	4.9	-178	-58	97.2	0	0	0	112.7	T764 T768	T764-W766 PolarHBondContact O-N 2.91Å; T764-W766 PolarHBondContact OG1-N 3.03Å; W766-T768 VanDerWaalsContact C-N 3.31Å
767	G	88.4	Confident	94.2	Very high	28 Å²	28	60.3 Å²	60.3	29%	0.289	32%	0.317	S	S	.	.	S	Bend	trans	76.9	14.3	-178.5	0	0	0	0	0	114.2	T764 P832	T764-G767 PolarHBondContact O-N 3.07Å; T764-G767 VanDerWaalsContact O-N 3.08Å; G767-P832 VanDerWaalsContact O-CD 3.25Å; G767-P832 WeakPolarHBondContact O-CD 3.31Å
768	T	92.9	Very high	94.2	Very high	8 Å²	8	58.9 Å²	58.9	5%	0.049	31%	0.307	C	S	.	.			trans	-86.6	157.5	167.1	60.6	0	0	0	0	109.8	T764 W766 E829 I830 Q831	T764-T768 WeakPolarHBondContact CB-OG1 3.35Å; T764-T768 VanDerWaalsContact CG2-OG1 3.22Å; T764-T768 WeakPolarHBondContact CG2-OG1 3.15Å; T764-T768 PolarHBondContact N-O 3.38Å; T764-T768 PolarHBondContact OG1-N 3.27Å; T764-T768 PolarHBondContact OG1-O 3.39Å; T764-T768 PolarHBondContact OG1-OG1 2.92Å; W766-T768 VanDerWaalsContact C-N 3.31Å; T768-E829 PolarHBondContact OG1-OE2 2.89Å; T768-I830 CarbonylContact C-O 3.5Å; T768-I830 WeakPolarHBondContact CA-O 3.5Å; T768-Q831 VanDerWaalsContact CG2-OE1 3.3Å
769	V	94.9	Very high	94.1	Very high	16 Å²	16	56.5 Å²	56.5	10%	0.097	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.7	172.9	179.4	0	0	0	0	108.8	K761 E762 M771 E829 I830 P832 M844	K761-V769 HydrophobicContact CD-CG1 4.5Å; K761-V769 HydrophobicContact CG-CG1 3.84Å; E762-V769 CarbonylContact O-C 3.56Å; E762-V769 WeakPolarHBondContact O-CA 3.5Å; V769-M771 HydrophobicContact CG1-CE 4.05Å; V769-M771 HydrophobicContact CG1-CG 4.28Å; V769-E829 WeakPolarHBondContact O-CA 3.49Å; V769-I830 HydrophobicContact CB-CG2 3.91Å; V769-I830 PolarHBondContact N-O 2.74Å; V769-I830 WeakPolarHBondContact O-CG2 3.27Å; V769-I830 PolarHBondContact O-N 2.88Å; V769-P832 HydrophobicContact CG2-CG 3.9Å; V769-M844 HydrophobicContact CB-CE 4.21Å; V769-M844 HydrophobicContact CG1-CE 4.19Å; V769-M844 HydrophobicContact CG2-CE 4.18Å; V769-M844 HydrophobicContact CG2-SD 4.28Å
770	K	96.3	Very high	94.1	Very high	54 Å²	54	52.7 Å²	52.7	24%	0.235	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.3	174.4	-173.9	169.8	-179.2	161.4	0	110.1	K761 E762 T764 W827 E829	K761-K770 WeakPolarHBondContact CA-O 3.45Å; E762-K770 PolarHBondContact N-O 3.25Å; E762-K770 PolarHBondContact O-N 3.23Å; T764-K770 HydrophobicContact CG2-CB 4.12Å; K770-W827 HydrophobicContact CD-CE3 4.31Å; K770-W827 VanDerWaalsContact CE-CD2 3.4Å; K770-W827 HydrophobicContact CG-CE3 4.33Å; K770-E829 HydrophobicContact CB-CG 3.93Å; K770-E829 HydrophobicContact CD-CG 4.39Å; K770-E829 HydrophobicContact CG-CG 4.02Å
771	M	97	Very high	94.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.9	176.3	-62.1	-176.3	-177	0	0	109.9	L758 S760 K761 V769 F773 W827 F828 I830 M844 I845 Y889	L758-M771 HydrophobicContact CD1-CB 3.91Å; L758-M771 HydrophobicContact CD1-CG 4.37Å; S760-M771 WeakPolarHBondContact O-CA 3.35Å; K761-M771 HydrophobicContact CD-CE 4.19Å; K761-M771 HydrophobicContact CG-CG 4.39Å; V769-M771 HydrophobicContact CG1-CE 4.05Å; V769-M771 HydrophobicContact CG1-CG 4.28Å; M771-F773 HydrophobicContact CB-CD2 4.42Å; M771-F773 HydrophobicContact CB-CE2 3.54Å; M771-F773 HydrophobicContact CB-CZ 4.11Å; M771-F773 HydrophobicContact SD-CZ 4.35Å; M771-W827 CarbonylContact O-C 3.56Å; M771-W827 WeakPolarHBondContact O-CA 3.43Å; M771-W827 VanDerWaalsContact O-CB 3.29Å; M771-W827 WeakPolarHBondContact O-CB 3.3Å; M771-F828 HydrophobicContact CB-CE2 4.06Å; M771-F828 HydrophobicContact CB-CZ 4.28Å; M771-F828 HydrophobicContact CG-CE2 4.35Å; M771-F828 PolarHBondContact N-O 3.43Å; M771-F828 PolarHBondContact O-N 2.92Å; M771-F828 HydrophobicContact SD-CE2 3.93Å; M771-F828 HydrophobicContact SD-CZ 4.21Å; M771-I830 HydrophobicContact CE-CG2 4.34Å; M771-M844 HydrophobicContact CE-CE 3.47Å; M771-M844 VanDerWaalsContact CE-CE 3.47Å; M771-I845 HydrophobicContact CE-CG2 4.41Å; M771-I845 HydrophobicContact SD-CG2 4.33Å; M771-Y889 HydrophobicContact SD-CG 4.31Å
772	T	97.9	Very high	94.2	Very high	22 Å²	22	46.2 Å²	46.2	14%	0.135	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.6	177.5	-49.2	0	0	0	0	109.8	L758 T759 S760 T825 F826 W827	L758-T772 WeakPolarHBondContact CD1-O 3.39Å; T759-T772 PolarHBondContact N-O 3.35Å; T759-T772 WeakPolarHBondContact OG1-CG2 3.38Å; T759-T772 PolarHBondContact OG1-O 2.96Å; T759-T772 VanDerWaalsContact OG1-O 3.06Å; S760-T772 PolarHBondContact N-O 2.94Å; S760-T772 PolarHBondContact O-N 3.09Å; S760-T772 VanDerWaalsContact OG-CB 3.27Å; S760-T772 WeakPolarHBondContact OG-CB 3.36Å; S760-T772 PolarHBondContact OG-OG1 2.64Å; T772-T825 HydrophobicContact CG2-CG2 3.98Å; T772-F826 WeakPolarHBondContact CA-O 3.27Å; T772-W827 HydrophobicContact CG2-CB 4.28Å
773	F	97.9	Very high	94.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.2	-177.3	-64.8	-93.3	0	0	0	110.9	F756 S757 L758 M771 T825 F826 F828 V847 Y889	F756-F773 AromaticContact CE1-CD1 3.78Å; F756-F773 HydrophobicContact CE1-CD1 3.78Å; F756-F773 AromaticContact CE1-CE1 3.91Å; F756-F773 HydrophobicContact CE1-CE1 3.91Å; F756-F773 HydrophobicContact CE2-CB 4.38Å; F756-F773 AromaticContact CE2-CD1 3.95Å; F756-F773 HydrophobicContact CE2-CD1 3.95Å; F756-F773 HydrophobicContact CE2-CG 4.4Å; F756-F773 AromaticContact CZ-CD1 3.27Å; F756-F773 HydrophobicContact CZ-CD1 3.27Å; F756-F773 AromaticContact CZ-CE1 3.64Å; F756-F773 HydrophobicContact CZ-CE1 3.64Å; F756-F773 HydrophobicContact CZ-CG 4.06Å; S757-F773 VanDerWaalsContact O-CA 3.3Å; S757-F773 WeakPolarHBondContact O-CA 3.31Å; L758-F773 HydrophobicContact CB-CD1 4.25Å; L758-F773 HydrophobicContact CB-CE1 3.99Å; L758-F773 HydrophobicContact CD1-CD1 4.2Å; L758-F773 HydrophobicContact CD1-CD2 4.43Å; L758-F773 HydrophobicContact CD1-CE1 3.72Å; L758-F773 HydrophobicContact CD1-CE2 3.95Å; L758-F773 HydrophobicContact CD1-CZ 3.59Å; L758-F773 HydrophobicContact CG-CE1 4.46Å; M771-F773 HydrophobicContact CB-CD2 4.42Å; M771-F773 HydrophobicContact CB-CE2 3.54Å; M771-F773 HydrophobicContact CB-CZ 4.11Å; M771-F773 HydrophobicContact SD-CZ 4.35Å; F773-T825 VanDerWaalsContact O-CA 3.29Å; F773-T825 WeakPolarHBondContact O-CA 3.15Å; F773-F826 HydrophobicContact CB-CD1 4.4Å; F773-F826 HydrophobicContact CB-CD2 4.38Å; F773-F826 HydrophobicContact CB-CE1 3.92Å; F773-F826 HydrophobicContact CB-CE2 3.86Å; F773-F826 HydrophobicContact CB-CZ 3.61Å; F773-F826 HydrophobicContact CD2-CD2 4.37Å; F773-F826 AromaticContact CD2-CE2 3.73Å; F773-F826 HydrophobicContact CD2-CE2 3.73Å; F773-F826 HydrophobicContact CD2-CZ 4.2Å; F773-F826 HydrophobicContact CG-CE2 4Å; F773-F826 AromaticContact CG-CZ 3.99Å; F773-F826 HydrophobicContact CG-CZ 3.99Å; F773-F826 PolarHBondContact N-O 2.93Å; F773-F826 PolarHBondContact O-N 3.5Å; F773-F826 VanDerWaalsContact O-N 3.09Å; F773-F828 HydrophobicContact CD2-CD1 4.44Å; F773-F828 AromaticContact CD2-CE1 3.82Å; F773-F828 HydrophobicContact CD2-CE1 3.82Å; F773-F828 HydrophobicContact CD2-CZ 4.35Å; F773-F828 HydrophobicContact CE2-CD1 4.17Å; F773-F828 AromaticContact CE2-CE1 3.27Å; F773-F828 HydrophobicContact CE2-CE1 3.27Å; F773-F828 HydrophobicContact CE2-CE2 4.32Å; F773-F828 AromaticContact CE2-CZ 3.37Å; F773-F828 HydrophobicContact CE2-CZ 3.37Å; F773-F828 HydrophobicContact CZ-CE1 4.08Å; F773-F828 AromaticContact CZ-CZ 3.87Å; F773-F828 HydrophobicContact CZ-CZ 3.87Å; F773-V847 HydrophobicContact CZ-CG2 4.36Å; F773-Y889 HydrophobicContact CE1-CD2 4.42Å; F773-Y889 AromaticContact CE1-CE2 3.6Å; F773-Y889 HydrophobicContact CE1-CE2 3.6Å; F773-Y889 AromaticContact CE1-CZ 3.76Å; F773-Y889 HydrophobicContact CZ-CD2 4.16Å; F773-Y889 AromaticContact CZ-CE2 3.78Å; F773-Y889 HydrophobicContact CZ-CE2 3.78Å
774	S	97.4	Very high	94.4	Very high	26 Å²	26	33 Å²	33	18%	0.182	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.4	169.1	174	0	0	0	0	109.2	S757 W824	S757-S774 PolarHBondContact N-O 2.93Å; S757-S774 PolarHBondContact O-N 3.2Å; S757-S774 PolarHBondContact OG-O 3.47Å; S774-W824 CarbonylContact C-O 3.54Å; S774-W824 WeakPolarHBondContact CA-O 3.41Å
775	V	96.4	Very high	94.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130	-177.1	-165.2	0	0	0	0	110.8	V754 D755 F756 M781 P823 W824 F826 I849	V754-V775 HydrophobicContact CG2-CG1 3.9Å; D755-V775 CarbonylContact O-C 3.59Å; D755-V775 VanDerWaalsContact O-CA 3.26Å; D755-V775 WeakPolarHBondContact O-CA 3.4Å; F756-V775 HydrophobicContact CD2-CB 4.27Å; F756-V775 HydrophobicContact CD2-CG1 4.08Å; F756-V775 HydrophobicContact CD2-CG2 3.32Å; F756-V775 HydrophobicContact CE2-CG2 3.62Å; F756-V775 HydrophobicContact CG-CG2 4.46Å; V775-M781 HydrophobicContact CG1-CE 4Å; V775-M781 HydrophobicContact CG1-SD 3.78Å; V775-P823 CarbonylContact O-C 3.56Å; V775-P823 WeakPolarHBondContact O-CA 3.32Å; V775-W824 HydrophobicContact CB-CE3 4.33Å; V775-W824 HydrophobicContact CG2-CE3 4.39Å; V775-W824 PolarHBondContact N-O 3.15Å; V775-W824 PolarHBondContact O-N 3.36Å; V775-F826 HydrophobicContact CG2-CD1 4.48Å; V775-F826 HydrophobicContact CG2-CE1 3.65Å; V775-F826 HydrophobicContact CG2-CZ 4.44Å; V775-I849 HydrophobicContact CG1-CD1 4.36Å; V775-I849 HydrophobicContact CG1-CG1 4.29Å
776	K	95.1	Very high	95	Very high	126 Å²	126	27.1 Å²	27.1	55%	0.548	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.9	169.1	-172.2	175.9	-177.3	177.7	0	109.1	V754 D755 P823	V754-K776 CarbonylContact C-O 3.43Å; V754-K776 WeakPolarHBondContact CA-O 3.32Å; D755-K776 HydrophobicContact CB-CB 4.44Å; D755-K776 PolarHBondContact N-O 2.84Å; D755-K776 PolarHBondContact O-N 3.3Å; K776-P823 HydrophobicContact CB-CB 4.42Å; K776-P823 HydrophobicContact CD-CG 4.38Å
777	G	94	Very high	95.4	Very high	18 Å²	18	17.7 Å²	17.7	19%	0.186	10%	0.103	C	C	.	.			trans	-172.1	-159	-174.7	0	0	0	0	0	111.8
778	P	94.8	Very high	95.5	Very high	15 Å²	15	17.3 Å²	17.3	10%	0.097	9%	0.094	C	C	.	.	S	Bend	trans	-72.1	174.5	176.9	32.3	-35.4	0	0	0	112.3	H780 M781 H817 T851 Y853	P778-H780 PolarHBondContact O-N 3.27Å; P778-M781 HydrophobicContact CG-CG 4.49Å; P778-H817 PolarHBondContact O-NE2 3.45Å; P778-T851 HydrophobicContact CG-CG2 4.12Å; P778-Y853 HydrophobicContact CB-CD1 3.86Å; P778-Y853 HydrophobicContact CB-CE1 3.74Å; P778-Y853 HydrophobicContact CG-CD1 4.15Å; P778-Y853 HydrophobicContact CG-CE1 3.77Å; P778-Y853 HydrophobicContact CG-CE2 4.21Å
779	S	94.9	Very high	95.2	Very high	9 Å²	9	27.1 Å²	27.1	6%	0.063	13%	0.13	C	C	.	.	S	Bend	trans	-62.8	-13.4	-175.9	67.2	0	0	0	0	116	V107 S816 H817 F855	V107-S779 PolarHBondContact O-OG 3.48Å; S779-S816 CarbonylContact O-C 3.56Å; S779-S816 WeakPolarHBondContact O-CA 3.43Å; S779-H817 VanDerWaalsContact CA-CD2 3.49Å; S779-H817 WeakPolarHBondContact CA-CD2 3.46Å; S779-H817 WeakPolarHBondContact CA-NE2 3.39Å; S779-H817 WeakPolarHBondContact CB-O 3.4Å; S779-H817 PolarHBondContact O-N 2.85Å; S779-F855 WeakPolarHBondContact OG-CE1 3.4Å; S779-F855 WeakPolarHBondContact OG-CZ 3.22Å
780	H	96.7	Very high	94.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.3	178.4	-61.2	86.6	0	0	0	110.6	V107 N234 P778 F814 Y815 H852 F854	V107-H780 PolarHBondContact O-CE1 3.44Å; N234-H780 PolarHBondContact ND2-CD2 3.01Å; N234-H780 PolarHBondContact ND2-NE2 3.01Å; N234-H780 PolarHBondContact OD1-NE2 3.26Å; P778-H780 PolarHBondContact O-N 3.27Å; H780-F814 AromaticContact CD2-CZ 3.73Å; H780-Y815 WeakPolarHBondContact CA-O 3.46Å; H780-H852 HydrophobicContact CB-CB 4.09Å; H780-H852 PolarHBondContact O-N 2.82Å; H780-F854 HydrophobicContact CB-CD2 4.08Å; H780-F854 HydrophobicContact CB-CE2 3.82Å; H780-F854 AromaticContact CD2-CE2 3.92Å; H780-F854 AromaticContact CE1-CD2 3.78Å; H780-F854 AromaticContact CG-CD2 3.64Å; H780-F854 AromaticContact CG-CE2 3.65Å; H780-F854 AromaticContact ND1-CD2 3.47Å; H780-F854 WeakPolarHBondContact ND1-CD2 3.27Å; H780-F854 AromaticContact ND1-CE2 3.98Å
781	M	96.9	Very high	94.5	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.7	178	-58.8	-173	-81	0	0	110.4	V754 V775 P778 Y815 I849 S850 T851	V754-M781 HydrophobicContact CG2-SD 4.24Å; V775-M781 HydrophobicContact CG1-CE 4Å; V775-M781 HydrophobicContact CG1-SD 3.78Å; P778-M781 HydrophobicContact CG-CG 4.49Å; M781-Y815 HydrophobicContact CB-CD1 4.12Å; M781-Y815 HydrophobicContact CE-CD1 3.34Å; M781-Y815 HydrophobicContact CE-CE1 3.27Å; M781-Y815 HydrophobicContact CE-CG 4.37Å; M781-Y815 HydrophobicContact CG-CD1 4.35Å; M781-Y815 PolarHBondContact N-O 3.42Å; M781-Y815 WeakPolarHBondContact O-CA 3.35Å; M781-Y815 PolarHBondContact O-N 2.9Å; M781-Y815 VanDerWaalsContact O-O 3.14Å; M781-I849 HydrophobicContact CB-CD1 4.13Å; M781-S850 CarbonylContact C-O 3.59Å; M781-S850 WeakPolarHBondContact CA-O 3.3Å; M781-S850 WeakPolarHBondContact CB-O 3.29Å; M781-T851 HydrophobicContact CG-CG2 3.92Å; M781-T851 HydrophobicContact SD-CG2 4.01Å
782	S	96.9	Very high	94.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.8	172.2	-50	0	0	0	0	109.6	W729 Y784 V813 I849 S850 H852	W729-S782 PolarHBondContact O-OG 2.85Å; W729-S782 VanDerWaalsContact O-OG 3.05Å; S782-Y784 WeakPolarHBondContact CB-OH 3.45Å; S782-Y784 WeakPolarHBondContact O-CE2 3.45Å; S782-V813 CarbonylContact C-O 3.6Å; S782-V813 WeakPolarHBondContact CA-O 3.25Å; S782-I849 CarbonylContact O-C 3.58Å; S782-I849 WeakPolarHBondContact O-CA 3.36Å; S782-S850 WeakPolarHBondContact CB-OG 3.23Å; S782-S850 PolarHBondContact N-O 2.87Å; S782-S850 PolarHBondContact O-N 3.35Å; S782-H852 PolarHBondContact OG-NE2 3.44Å
783	L	96.8	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.8	173.2	168.8	76.6	0	0	0	109.1	L785 V813 W824 F826 V847 A848 I849	L783-L785 HydrophobicContact CD1-CD2 3.96Å; L783-L785 HydrophobicContact CD2-CD2 4.26Å; L783-L785 HydrophobicContact CG-CD2 4.05Å; L783-L785 HydrophobicContact CG-CG 4.39Å; L783-V813 HydrophobicContact CB-CB 4.11Å; L783-V813 HydrophobicContact CD2-CB 4.29Å; L783-V813 HydrophobicContact CD2-CG2 4.29Å; L783-V813 PolarHBondContact N-O 3.46Å; L783-V813 PolarHBondContact O-N 3.46Å; L783-W824 HydrophobicContact CB-CH2 3.99Å; L783-W824 HydrophobicContact CB-CZ3 4.25Å; L783-W824 HydrophobicContact CD2-CH2 3.95Å; L783-F826 HydrophobicContact CD1-CE2 4.24Å; L783-F826 HydrophobicContact CD1-CZ 3.71Å; L783-F826 HydrophobicContact CD2-CD2 4.06Å; L783-F826 HydrophobicContact CD2-CE1 4.03Å; L783-F826 HydrophobicContact CD2-CE2 3.43Å; L783-F826 VanDerWaalsContact CD2-CE2 3.43Å; L783-F826 HydrophobicContact CD2-CZ 3.41Å; L783-F826 VanDerWaalsContact CD2-CZ 3.41Å; L783-F826 HydrophobicContact CG-CE2 4.48Å; L783-F826 HydrophobicContact CG-CZ 4.17Å; L783-V847 HydrophobicContact CD1-CG1 3.74Å; L783-A848 WeakPolarHBondContact CA-O 3.46Å; L783-I849 HydrophobicContact CB-CD1 4.17Å
784	Y	95.8	Very high	93.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.7	178.5	-42.7	-81.8	0	0	0	109.8	P723 F724 W729 S782 Y811 F812 V847 A848 S850 Y884	P723-Y784 HydrophobicContact CB-CG 4.46Å; F724-Y784 HydrophobicContact CB-CD1 3.75Å; F724-Y784 HydrophobicContact CB-CE1 3.88Å; F724-Y784 HydrophobicContact CB-CG 4.32Å; F724-Y784 HydrophobicContact CD1-CD1 4.2Å; F724-Y784 HydrophobicContact CD1-CE1 4.16Å; F724-Y784 AromaticContact CD2-CD1 3.24Å; F724-Y784 HydrophobicContact CD2-CD1 3.24Å; F724-Y784 HydrophobicContact CD2-CE1 4.02Å; F724-Y784 AromaticContact CD2-CG 3.97Å; F724-Y784 HydrophobicContact CD2-CG 3.97Å; F724-Y784 AromaticContact CE2-CD1 3.87Å; F724-Y784 HydrophobicContact CE2-CD1 3.87Å; F724-Y784 AromaticContact CG-CD1 3.44Å; F724-Y784 HydrophobicContact CG-CD1 3.44Å; F724-Y784 VanDerWaalsContact CG-CD1 3.44Å; F724-Y784 AromaticContact CG-CE1 3.73Å; F724-Y784 HydrophobicContact CG-CE1 3.73Å; F724-Y784 HydrophobicContact CG-CG 4.33Å; W729-Y784 WeakPolarHBondContact CA-OH 3.23Å; W729-Y784 HydrophobicContact CB-CE1 4.22Å; W729-Y784 PolarHBondContact N-OH 3.4Å; W729-Y784 PolarHBondContact O-OH 3.09Å; S782-Y784 WeakPolarHBondContact CB-OH 3.45Å; S782-Y784 WeakPolarHBondContact O-CE2 3.45Å; Y784-Y811 WeakPolarHBondContact CA-O 3.02Å; Y784-F812 AromaticContact CD1-CD2 3.82Å; Y784-F812 HydrophobicContact CD1-CD2 3.82Å; Y784-F812 HydrophobicContact CD1-CE2 4.22Å; Y784-F812 AromaticContact CE1-CD2 3.65Å; Y784-F812 HydrophobicContact CE1-CD2 3.65Å; Y784-F812 AromaticContact CE1-CE2 3.59Å; Y784-F812 HydrophobicContact CE1-CE2 3.59Å; Y784-V847 WeakPolarHBondContact O-CA 3.48Å; Y784-A848 HydrophobicContact CD2-CB 3.8Å; Y784-A848 WeakPolarHBondContact CD2-O 3.3Å; Y784-A848 PolarHBondContact N-O 2.58Å; Y784-A848 PolarHBondContact O-N 2.88Å; Y784-S850 WeakPolarHBondContact CE2-OG 3.46Å; Y784-S850 PolarHBondContact OH-OG 3.2Å; Y784-Y884 AromaticContact CD2-CE2 3.94Å; Y784-Y884 HydrophobicContact CD2-CE2 3.94Å; Y784-Y884 HydrophobicContact CE2-CD2 4.08Å; Y784-Y884 AromaticContact CE2-CE2 3.86Å; Y784-Y884 HydrophobicContact CE2-CE2 3.86Å
785	L	95	Very high	93.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.9	175.7	-47.6	174.3	0	0	0	109.3	L783 L793 W796 Y811 F828 I845 V847	L783-L785 HydrophobicContact CD1-CD2 3.96Å; L783-L785 HydrophobicContact CD2-CD2 4.26Å; L783-L785 HydrophobicContact CG-CD2 4.05Å; L783-L785 HydrophobicContact CG-CG 4.39Å; L785-L793 HydrophobicContact CB-CD1 4.02Å; L785-L793 HydrophobicContact CD1-CD1 3.63Å; L785-L793 HydrophobicContact CG-CD1 4.48Å; L785-W796 HydrophobicContact CD1-CE3 4.18Å; L785-W796 HydrophobicContact CD1-CZ3 4.2Å; L785-Y811 HydrophobicContact CB-CD2 4.19Å; L785-Y811 HydrophobicContact CB-CG 4.37Å; L785-Y811 PolarHBondContact N-O 2.91Å; L785-Y811 PolarHBondContact O-N 3.39Å; L785-F828 HydrophobicContact CD1-CD1 4.07Å; L785-F828 HydrophobicContact CD1-CE1 4.35Å; L785-F828 HydrophobicContact CD2-CD1 4.24Å; L785-F828 HydrophobicContact CD2-CE1 3.71Å; L785-F828 HydrophobicContact CD2-CZ 4.23Å; L785-I845 HydrophobicContact CB-CD1 4.19Å; L785-V847 HydrophobicContact CD2-CB 4.38Å; L785-V847 HydrophobicContact CD2-CG1 3.88Å; L785-V847 HydrophobicContact CD2-CG2 4.03Å
786	M	94.2	Very high	93.4	Very high	22 Å²	22	33.3 Å²	33.3	11%	0.108	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	94.1	176.7	-173.8	-176.8	73.9	0	0	108.8	P723 E810 S846	P723-M786 HydrophobicContact CB-CB 4.18Å; P723-M786 HydrophobicContact CG-CB 3.84Å; P723-M786 HydrophobicContact CG-CE 4.46Å; M786-E810 HydrophobicContact CB-CG 4.47Å; M786-E810 HydrophobicContact CG-CG 4.18Å; M786-S846 PolarHBondContact N-O 2.88Å; M786-S846 PolarHBondContact O-N 3.1Å
787	P	92.6	Very high	93.4	Very high	24 Å²	24	29.2 Å²	29.2	16%	0.156	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	138.8	172.1	-22.3	34.4	0	0	0	110.5	A791 L793 Y811	P787-A791 HydrophobicContact CB-CB 4.37Å; P787-L793 HydrophobicContact CG-CD1 4.32Å; P787-L793 HydrophobicContact CG-CG 4.09Å; P787-Y811 HydrophobicContact CG-CD2 4.38Å; P787-Y811 HydrophobicContact CG-CE2 3.77Å
788	H	90.8	Very high	93.4	Very high	20 Å²	20	28.4 Å²	28.4	9%	0.093	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-80.2	170.7	175.9	-62.3	165.7	0	0	0	111.1	G790 A791 E842 G843 M844 S846	H788-G790 PolarHBondContact O-N 3.35Å; H788-A791 WeakPolarHBondContact O-CB 3.46Å; H788-A791 PolarHBondContact O-N 2.96Å; H788-E842 PolarHBondContact CE1-O 2.83Å; H788-E842 PolarHBondContact ND1-O 2.92Å; H788-G843 PolarHBondContact ND1-O 2.92Å; H788-M844 PolarHBondContact N-O 3.42Å; H788-S846 PolarHBondContact CE1-OG 3.1Å; H788-S846 PolarHBondContact NE2-N 3.41Å; H788-S846 PolarHBondContact NE2-OG 3.2Å
789	R	86.3	Confident	93.1	Very high	214 Å²	214	29.1 Å²	29.1	81%	0.808	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	125.7	-174	-171.5	178.2	-180	-176	-1.5	111.6	A791	R789-A791 VanDerWaalsContact C-N 3.25Å; R789-A791 PolarHBondContact O-N 3.47Å
790	G	86.5	Confident	92.6	Very high	57 Å²	57	34.5 Å²	34.5	59%	0.588	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	-12.6	-179.7	0	0	0	0	0	114.5	H788 P833	H788-G790 PolarHBondContact O-N 3.35Å; G790-P833 WeakPolarHBondContact O-CA 3.32Å
791	A	90.2	Very high	92.3	Very high	14 Å²	14	35.3 Å²	35.3	12%	0.116	21%	0.213	C	C	.	.			trans	-90.2	153.6	170.5	0	0	0	0	0	111	P787 H788 R789 I830 Q831 M844	P787-A791 HydrophobicContact CB-CB 4.37Å; H788-A791 WeakPolarHBondContact O-CB 3.46Å; H788-A791 PolarHBondContact O-N 2.96Å; R789-A791 VanDerWaalsContact C-N 3.25Å; R789-A791 PolarHBondContact O-N 3.47Å; A791-I830 HydrophobicContact CB-CD1 3.9Å; A791-I830 HydrophobicContact CB-CG1 4.13Å; A791-Q831 VanDerWaalsContact CA-O 3.27Å; A791-Q831 WeakPolarHBondContact CA-O 3.47Å; A791-M844 HydrophobicContact CB-CB 4.47Å; A791-M844 WeakPolarHBondContact CB-O 3.31Å
792	S	91.5	Very high	91.8	Very high	60 Å²	60	38.6 Å²	38.6	42%	0.42	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	147.5	175	56.8	0	0	0	0	111.7	I830 Q831	S792-I830 WeakPolarHBondContact O-CA 3.35Å; S792-Q831 PolarHBondContact N-O 3.22Å; S792-Q831 PolarHBondContact O-N 3.24Å
793	L	92.4	Very high	91.3	Very high	14 Å²	14	39.3 Å²	39.3	7%	0.073	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	124.9	172.5	-76.3	169.8	0	0	0	109.4	L785 P787 P803 Y811 F828 E829 I845	L785-L793 HydrophobicContact CB-CD1 4.02Å; L785-L793 HydrophobicContact CD1-CD1 3.63Å; L785-L793 HydrophobicContact CG-CD1 4.48Å; P787-L793 HydrophobicContact CG-CD1 4.32Å; P787-L793 HydrophobicContact CG-CG 4.09Å; L793-P803 HydrophobicContact CB-CB 4.24Å; L793-P803 HydrophobicContact CB-CG 4.12Å; L793-Y811 HydrophobicContact CB-CE1 4.43Å; L793-Y811 HydrophobicContact CD1-CD1 3.97Å; L793-Y811 HydrophobicContact CD1-CD2 3.58Å; L793-Y811 HydrophobicContact CD1-CE1 4.01Å; L793-Y811 HydrophobicContact CD1-CE2 3.64Å; L793-Y811 HydrophobicContact CD1-CG 3.77Å; L793-Y811 HydrophobicContact CG-CE2 4.38Å; L793-F828 HydrophobicContact CD2-CB 3.88Å; L793-F828 HydrophobicContact CD2-CD2 3.48Å; L793-F828 VanDerWaalsContact CD2-CD2 3.48Å; L793-F828 HydrophobicContact CD2-CE2 4.24Å; L793-F828 HydrophobicContact CD2-CG 3.85Å; L793-E829 WeakPolarHBondContact CA-O 3.36Å; L793-I845 HydrophobicContact CD2-CD1 4.25Å
794	S	91.7	Very high	90.7	Very high	57 Å²	57	43.1 Å²	43.1	40%	0.399	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-46	179.5	56.6	0	0	0	0	112	E829	S794-E829 PolarHBondContact N-O 3.48Å; S794-E829 WeakPolarHBondContact OG-CB 3.18Å; S794-E829 PolarHBondContact OG-O 3.43Å
795	T	93.8	Very high	90.1	Very high	42 Å²	42	48.5 Å²	48.5	26%	0.258	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	168.1	179.8	-173.3	0	0	0	0	110.9	G801 W827 F828 E829	T795-G801 WeakPolarHBondContact CA-O 3.37Å; T795-G801 PolarHBondContact OG1-O 2.93Å; T795-W827 HydrophobicContact CG2-CH2 4.36Å; T795-W827 HydrophobicContact CG2-CZ3 4.05Å; T795-F828 WeakPolarHBondContact O-CA 3.46Å; T795-E829 HydrophobicContact CG2-CB 4.04Å; T795-E829 HydrophobicContact CG2-CG 4.17Å; T795-E829 PolarHBondContact O-N 2.89Å
796	W	95.5	Very high	89.4	Confident	5 Å²	5	49.4 Å²	49.4	2%	0.019	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	173.5	-178.7	60.3	6.7	0	0	0	112.4	T158 L785 L798 T802 P803 Y811 V813 W827 F828	T158-W796 HydrophobicContact CG2-CH2 3.99Å; T158-W796 HydrophobicContact CG2-CZ2 3.81Å; T158-W796 WeakPolarHBondContact OG1-CH2 3.31Å; T158-W796 WeakPolarHBondContact OG1-CZ2 3.32Å; L785-W796 HydrophobicContact CD1-CE3 4.18Å; L785-W796 HydrophobicContact CD1-CZ3 4.2Å; W796-L798 HydrophobicContact CD2-CB 4.02Å; W796-L798 HydrophobicContact CD2-CD1 4.08Å; W796-L798 HydrophobicContact CD2-CG 4.33Å; W796-L798 HydrophobicContact CE3-CD1 3.91Å; W796-L798 HydrophobicContact CG-CB 4.12Å; W796-L798 HydrophobicContact CG-CG 4.43Å; W796-L798 HydrophobicContact CZ2-CB 4.31Å; W796-L798 HydrophobicContact CZ3-CD1 4.16Å; W796-L798 PolarHBondContact NE1-O 3.41Å; W796-L798 PolarHBondContact O-N 3.04Å; W796-T802 PolarHBondContact NE1-O 3.09Å; W796-P803 HydrophobicContact CD2-CB 4.1Å; W796-P803 HydrophobicContact CD2-CG 3.89Å; W796-P803 HydrophobicContact CE3-CB 4.21Å; W796-P803 HydrophobicContact CE3-CG 4.33Å; W796-P803 HydrophobicContact CG-CG 4Å; W796-P803 HydrophobicContact CH2-CB 4.36Å; W796-P803 VanDerWaalsContact CZ2-CA 3.49Å; W796-P803 HydrophobicContact CZ2-CB 4.26Å; W796-P803 HydrophobicContact CZ3-CB 4.33Å; W796-Y811 HydrophobicContact CH2-CD1 4.44Å; W796-Y811 HydrophobicContact CZ3-CD1 4.26Å; W796-V813 HydrophobicContact CH2-CG2 3.97Å; W796-V813 HydrophobicContact CZ3-CG2 3.76Å; W796-W827 CarbonylContact C-O 3.49Å; W796-W827 WeakPolarHBondContact CA-O 3.42Å; W796-W827 WeakPolarHBondContact CB-O 3.43Å; W796-F828 HydrophobicContact CB-CB 3.82Å
797	S	95	Very high	88.4	Confident	40 Å²	40	56.6 Å²	56.6	28%	0.28	32%	0.322	S	S	.	.	S	Bend	trans	-81.7	10.8	178.9	71.8	0	0	0	0	114.9	F826 W827	S797-F826 WeakPolarHBondContact OG-CA 3.35Å; S797-F826 WeakPolarHBondContact OG-CB 3.34Å; S797-W827 VanDerWaalsContact CB-NE1 3.33Å; S797-W827 PolarHBondContact N-O 3.21Å; S797-W827 PolarHBondContact OG-N 3.39Å; S797-W827 PolarHBondContact OG-O 3.2Å
798	L	93.1	Very high	87.7	Confident	2 Å²	2	60 Å²	60	1%	0.01	34%	0.339	C	S	.	.	S	Bend	trans	-115.4	150.2	-168.9	-53	173.6	0	0	0	111.3	T158 F160 W796 D800 G801 V813 W824 F826	T158-L798 HydrophobicContact CG2-CB 4.14Å; T158-L798 HydrophobicContact CG2-CD1 4.47Å; F160-L798 HydrophobicContact CD2-CD2 3.69Å; F160-L798 HydrophobicContact CE2-CD2 4.35Å; W796-L798 HydrophobicContact CD2-CB 4.02Å; W796-L798 HydrophobicContact CD2-CD1 4.08Å; W796-L798 HydrophobicContact CD2-CG 4.33Å; W796-L798 HydrophobicContact CE3-CD1 3.91Å; W796-L798 HydrophobicContact CG-CB 4.12Å; W796-L798 HydrophobicContact CG-CG 4.43Å; W796-L798 HydrophobicContact CZ2-CB 4.31Å; W796-L798 HydrophobicContact CZ3-CD1 4.16Å; W796-L798 PolarHBondContact NE1-O 3.41Å; W796-L798 PolarHBondContact O-N 3.04Å; L798-D800 PolarHBondContact O-N 2.94Å; L798-G801 PolarHBondContact O-N 3.41Å; L798-V813 HydrophobicContact CD1-CB 4.3Å; L798-V813 HydrophobicContact CD1-CG1 3.77Å; L798-V813 HydrophobicContact CD1-CG2 3.59Å; L798-W824 HydrophobicContact CD2-CZ2 4.17Å; L798-F826 HydrophobicContact CD2-CB 4.31Å
799	G	87.8	Confident	87.4	Confident	29 Å²	29	60.5 Å²	60.5	30%	0.299	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	-129	178.8	0	0	0	0	0	112.1	S148 G801	S148-G799 PolarHBondContact OG-N 3.02Å; G799-G801 VanDerWaalsContact C-N 3.31Å
800	D	86.2	Confident	87.5	Confident	123 Å²	123	50.6 Å²	50.6	66%	0.658	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	6.3	175.6	69	-15.7	0	0	0	113.4	L798 T802	L798-D800 PolarHBondContact O-N 2.94Å; D800-T802 VanDerWaalsContact OD1-CB 3.23Å; D800-T802 WeakPolarHBondContact OD1-CB 3.36Å; D800-T802 PolarHBondContact OD1-N 3.05Å; D800-T802 PolarHBondContact OD1-OG1 2.88Å; D800-T802 PolarHBondContact OD2-OG1 2.71Å
801	G	88.4	Confident	87.8	Confident	18 Å²	18	48.7 Å²	48.7	19%	0.186	29%	0.287	C	S	.	.	S	Bend	trans	91	-3.5	-174.5	0	0	0	0	0	114.6	T795 L798 G799 P803	T795-G801 WeakPolarHBondContact CA-O 3.37Å; T795-G801 PolarHBondContact OG1-O 2.93Å; L798-G801 PolarHBondContact O-N 3.41Å; G799-G801 VanDerWaalsContact C-N 3.31Å; G801-P803 WeakPolarHBondContact O-CD 3.45Å
802	T	87.6	Confident	88	Confident	70 Å²	70	48.2 Å²	48.2	43%	0.429	28%	0.282	S	S	.	.			trans	-100	113.4	-179	-49.1	0	0	0	0	111.3	W796 D800 Q804	W796-T802 PolarHBondContact NE1-O 3.09Å; D800-T802 VanDerWaalsContact OD1-CB 3.23Å; D800-T802 WeakPolarHBondContact OD1-CB 3.36Å; D800-T802 PolarHBondContact OD1-N 3.05Å; D800-T802 PolarHBondContact OD1-OG1 2.88Å; D800-T802 PolarHBondContact OD2-OG1 2.71Å; T802-Q804 PolarHBondContact O-N 3.46Å
803	P	86.4	Confident	88.2	Confident	15 Å²	15	45.3 Å²	45.3	10%	0.097	26%	0.262	C	S	.	.			trans	-64.6	124.6	177.4	-24.7	37.3	0	0	0	113.1	L793 W796 G801 Y811	L793-P803 HydrophobicContact CB-CB 4.24Å; L793-P803 HydrophobicContact CB-CG 4.12Å; W796-P803 HydrophobicContact CD2-CB 4.1Å; W796-P803 HydrophobicContact CD2-CG 3.89Å; W796-P803 HydrophobicContact CE3-CB 4.21Å; W796-P803 HydrophobicContact CE3-CG 4.33Å; W796-P803 HydrophobicContact CG-CG 4Å; W796-P803 HydrophobicContact CH2-CB 4.36Å; W796-P803 VanDerWaalsContact CZ2-CA 3.49Å; W796-P803 HydrophobicContact CZ2-CB 4.26Å; W796-P803 HydrophobicContact CZ3-CB 4.33Å; G801-P803 WeakPolarHBondContact O-CD 3.45Å; P803-Y811 HydrophobicContact CB-CD1 3.67Å; P803-Y811 HydrophobicContact CB-CE1 3.27Å
804	Q	84.7	Confident	88.4	Confident	79 Å²	79	44.7 Å²	44.7	37%	0.369	26%	0.259	S	S	.	.			trans	-102.2	131.2	174.2	-64.1	-68	-22.2	0	0	109.7	T802 Y811	T802-Q804 PolarHBondContact O-N 3.46Å; Q804-Y811 WeakPolarHBondContact O-CD1 3.21Å
805	F	81.6	Confident	88.6	Confident	113 Å²	113	42.1 Å²	42.1	50%	0.496	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-126.4	157.9	-177	54.5	-87.2	0	0	0	111.9	E810 Y811	F805-E810 CarbonylContact C-O 3.45Å; F805-E810 VanDerWaalsContact CA-O 3.29Å; F805-E810 WeakPolarHBondContact CA-O 3.35Å; F805-E810 WeakPolarHBondContact CB-O 3.41Å; F805-Y811 HydrophobicContact CB-CD1 3.85Å; F805-Y811 HydrophobicContact CB-CD2 4.22Å; F805-Y811 HydrophobicContact CB-CE1 3.62Å; F805-Y811 HydrophobicContact CB-CE2 4Å; F805-Y811 HydrophobicContact CB-CG 4.13Å; F805-Y811 AromaticContact CD1-CE1 3.73Å; F805-Y811 HydrophobicContact CD1-CE1 3.73Å; F805-Y811 AromaticContact CD1-CZ 3.79Å; F805-Y811 HydrophobicContact CG-CE1 4.11Å
806	D	80.3	Confident	88.7	Confident	19 Å²	19	40.1 Å²	40.1	10%	0.102	23%	0.228	C	C	.	.			trans	-76.9	177.9	176.7	80	-5.4	0	0	0	112.9	G155 K734 N808 G809 E810	G155-D806 WeakPolarHBondContact O-CA 3.41Å; G155-D806 VanDerWaalsContact O-CB 3.29Å; G155-D806 WeakPolarHBondContact O-CB 3.22Å; K734-D806 WeakPolarHBondContact CE-OD2 3.38Å; K734-D806 IonicContact NZ-OD2 3.26Å; K734-D806 PolarHBondContact NZ-OD2 3.08Å; D806-N808 PolarHBondContact O-N 3.36Å; D806-N808 VanDerWaalsContact OD1-CA 3.28Å; D806-N808 WeakPolarHBondContact OD1-CA 3.43Å; D806-N808 WeakPolarHBondContact OD1-CB 3.31Å; D806-N808 PolarHBondContact OD1-N 3.46Å; D806-G809 PolarHBondContact O-N 3.06Å; D806-G809 PolarHBondContact OD1-N 2.89Å; D806-E810 PolarHBondContact N-O 3.38Å; D806-E810 PolarHBondContact OD1-N 2.93Å
807	L	74.4	Confident	88.7	Confident	173 Å²	173	41 Å²	41	91%	0.906	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-15.4	178.7	-66.8	172	0	0	0	114
808	N	78.4	Confident	88.7	Confident	97 Å²	97	39.1 Å²	39.1	52%	0.519	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-0.5	178	-67.6	-5.5	0	0	0	112.9	D806	D806-N808 PolarHBondContact O-N 3.36Å; D806-N808 VanDerWaalsContact OD1-CA 3.28Å; D806-N808 WeakPolarHBondContact OD1-CA 3.43Å; D806-N808 WeakPolarHBondContact OD1-CB 3.31Å; D806-N808 PolarHBondContact OD1-N 3.46Å
809	G	83.2	Confident	88.4	Confident	29 Å²	29	42.7 Å²	42.7	30%	0.299	24%	0.238	S	C	.	.	S	Bend	trans	80.8	14.8	-177.7	0	0	0	0	0	114.3	D806 Y811	D806-G809 PolarHBondContact O-N 3.06Å; D806-G809 PolarHBondContact OD1-N 2.89Å; G809-Y811 WeakPolarHBondContact O-CE2 3.19Å
810	E	89.8	Confident	87.9	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.028	26%	0.256	C	S	.	.			trans	-94	144.7	174.9	-64.9	172.2	-140.8	0	0	110.7	F724 K734 M786 F805 D806	F724-E810 VanDerWaalsContact CA-OE2 3.29Å; F724-E810 WeakPolarHBondContact CA-OE2 3.5Å; F724-E810 HydrophobicContact CD2-CB 4.23Å; F724-E810 WeakPolarHBondContact CD2-OE2 3.39Å; F724-E810 HydrophobicContact CE2-CB 3.75Å; F724-E810 WeakPolarHBondContact CE2-OE2 3.45Å; F724-E810 PolarHBondContact N-OE2 3.15Å; K734-E810 IonicContact NZ-OE1 2.98Å; K734-E810 PolarHBondContact NZ-OE1 2.91Å; K734-E810 IonicContact NZ-OE2 3.53Å; K734-E810 PolarHBondContact NZ-OE2 2.86Å; M786-E810 HydrophobicContact CB-CG 4.47Å; M786-E810 HydrophobicContact CG-CG 4.18Å; F805-E810 CarbonylContact C-O 3.45Å; F805-E810 VanDerWaalsContact CA-O 3.29Å; F805-E810 WeakPolarHBondContact CA-O 3.35Å; F805-E810 WeakPolarHBondContact CB-O 3.41Å; D806-E810 PolarHBondContact N-O 3.38Å; D806-E810 PolarHBondContact OD1-N 2.93Å
811	Y	92.8	Very high	87.7	Confident	18 Å²	18	42.5 Å²	42.5	7%	0.071	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136	-179	-53.7	-106	0	0	0	109.7	Y784 L785 P787 L793 W796 P803 Q804 F805 G809	Y784-Y811 WeakPolarHBondContact CA-O 3.02Å; L785-Y811 HydrophobicContact CB-CD2 4.19Å; L785-Y811 HydrophobicContact CB-CG 4.37Å; L785-Y811 PolarHBondContact N-O 2.91Å; L785-Y811 PolarHBondContact O-N 3.39Å; P787-Y811 HydrophobicContact CG-CD2 4.38Å; P787-Y811 HydrophobicContact CG-CE2 3.77Å; L793-Y811 HydrophobicContact CB-CE1 4.43Å; L793-Y811 HydrophobicContact CD1-CD1 3.97Å; L793-Y811 HydrophobicContact CD1-CD2 3.58Å; L793-Y811 HydrophobicContact CD1-CE1 4.01Å; L793-Y811 HydrophobicContact CD1-CE2 3.64Å; L793-Y811 HydrophobicContact CD1-CG 3.77Å; L793-Y811 HydrophobicContact CG-CE2 4.38Å; W796-Y811 HydrophobicContact CH2-CD1 4.44Å; W796-Y811 HydrophobicContact CZ3-CD1 4.26Å; P803-Y811 HydrophobicContact CB-CD1 3.67Å; P803-Y811 HydrophobicContact CB-CE1 3.27Å; Q804-Y811 WeakPolarHBondContact O-CD1 3.21Å; F805-Y811 HydrophobicContact CB-CD1 3.85Å; F805-Y811 HydrophobicContact CB-CD2 4.22Å; F805-Y811 HydrophobicContact CB-CE1 3.62Å; F805-Y811 HydrophobicContact CB-CE2 4Å; F805-Y811 HydrophobicContact CB-CG 4.13Å; F805-Y811 AromaticContact CD1-CE1 3.73Å; F805-Y811 HydrophobicContact CD1-CE1 3.73Å; F805-Y811 AromaticContact CD1-CZ 3.79Å; F805-Y811 HydrophobicContact CG-CE1 4.11Å; G809-Y811 WeakPolarHBondContact O-CE2 3.19Å
812	F	94.3	Very high	87.8	Confident	3 Å²	3	44.2 Å²	44.2	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.8	179.9	-176.1	-88.6	0	0	0	110.2	F157 T158 F724 W729 F730 P732 Y784 F814	F157-F812 AromaticContact CD2-CD1 3.89Å; F157-F812 HydrophobicContact CD2-CD1 3.89Å; F157-F812 AromaticContact CD2-CE1 3.77Å; F157-F812 HydrophobicContact CD2-CE1 3.77Å; F157-F812 HydrophobicContact CE2-CD1 4.24Å; F157-F812 AromaticContact CE2-CE1 3.68Å; F157-F812 HydrophobicContact CE2-CE1 3.68Å; T158-F812 PolarHBondContact N-O 2.87Å; F724-F812 HydrophobicContact CD1-CD2 4.35Å; F724-F812 HydrophobicContact CE1-CB 4.46Å; F724-F812 AromaticContact CE1-CD2 3.86Å; F724-F812 HydrophobicContact CE1-CD2 3.86Å; F724-F812 HydrophobicContact CE2-CB 4.01Å; F724-F812 HydrophobicContact CE2-CD2 4.19Å; F724-F812 HydrophobicContact CZ-CB 3.64Å; F724-F812 AromaticContact CZ-CD2 3.78Å; F724-F812 HydrophobicContact CZ-CD2 3.78Å; F724-F812 HydrophobicContact CZ-CG 4.13Å; W729-F812 WeakPolarHBondContact O-CE2 3.4Å; F730-F812 WeakPolarHBondContact O-CZ 3.32Å; P732-F812 HydrophobicContact CB-CB 4.16Å; P732-F812 HydrophobicContact CB-CD1 4.13Å; P732-F812 HydrophobicContact CB-CD2 4.16Å; P732-F812 HydrophobicContact CB-CG 3.89Å; P732-F812 HydrophobicContact CG-CD1 4.01Å; P732-F812 HydrophobicContact CG-CE1 4.33Å; P732-F812 HydrophobicContact CG-CG 4.29Å; Y784-F812 AromaticContact CD1-CD2 3.82Å; Y784-F812 HydrophobicContact CD1-CD2 3.82Å; Y784-F812 HydrophobicContact CD1-CE2 4.22Å; Y784-F812 AromaticContact CE1-CD2 3.65Å; Y784-F812 HydrophobicContact CE1-CD2 3.65Å; Y784-F812 AromaticContact CE1-CE2 3.59Å; Y784-F812 HydrophobicContact CE1-CE2 3.59Å; F812-F814 HydrophobicContact CE1-CB 3.86Å; F812-F814 HydrophobicContact CZ-CD2 4.49Å
813	V	95.3	Very high	88.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.3	175	-178.4	0	0	0	0	108.8	T158 S782 L783 W796 L798 W824	T158-V813 HydrophobicContact CG2-CG1 4.34Å; T158-V813 HydrophobicContact CG2-CG2 4.2Å; T158-V813 CarbonylContact O-C 3.57Å; T158-V813 VanDerWaalsContact O-CA 3.28Å; T158-V813 WeakPolarHBondContact O-CA 3.49Å; S782-V813 CarbonylContact C-O 3.6Å; S782-V813 WeakPolarHBondContact CA-O 3.25Å; L783-V813 HydrophobicContact CB-CB 4.11Å; L783-V813 HydrophobicContact CD2-CB 4.29Å; L783-V813 HydrophobicContact CD2-CG2 4.29Å; L783-V813 PolarHBondContact N-O 3.46Å; L783-V813 PolarHBondContact O-N 3.46Å; W796-V813 HydrophobicContact CH2-CG2 3.97Å; W796-V813 HydrophobicContact CZ3-CG2 3.76Å; L798-V813 HydrophobicContact CD1-CB 4.3Å; L798-V813 HydrophobicContact CD1-CG1 3.77Å; L798-V813 HydrophobicContact CD1-CG2 3.59Å; V813-W824 HydrophobicContact CG1-CH2 3.95Å; V813-W824 HydrophobicContact CG1-CZ2 4.14Å
814	F	95.7	Very high	88.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	124	174.2	-169.7	-120.1	0	0	0	110.4	F157 T158 S159 F160 N234 F730 H780 F812	F157-F814 HydrophobicContact CE1-CB 4.39Å; F157-F814 HydrophobicContact CE2-CB 3.64Å; F157-F814 HydrophobicContact CE2-CD1 4.45Å; F157-F814 HydrophobicContact CE2-CG 4.16Å; F157-F814 HydrophobicContact CZ-CB 3.49Å; F157-F814 VanDerWaalsContact CZ-CB 3.49Å; F157-F814 AromaticContact CZ-CD1 3.83Å; F157-F814 HydrophobicContact CZ-CD1 3.83Å; F157-F814 AromaticContact CZ-CG 3.92Å; F157-F814 HydrophobicContact CZ-CG 3.92Å; T158-F814 PolarHBondContact O-N 3.22Å; S159-F814 CarbonylContact C-O 3.19Å; S159-F814 WeakPolarHBondContact CA-O 3.37Å; F160-F814 PolarHBondContact N-O 3.34Å; N234-F814 HydrophobicContact CB-CE1 3.81Å; F730-F814 AromaticContact CD2-CE2 3.51Å; F730-F814 HydrophobicContact CD2-CE2 3.51Å; F730-F814 AromaticContact CD2-CZ 3.8Å; F730-F814 HydrophobicContact CD2-CZ 3.8Å; F730-F814 HydrophobicContact CE2-CE1 4.28Å; F730-F814 AromaticContact CE2-CE2 3.54Å; F730-F814 HydrophobicContact CE2-CE2 3.54Å; F730-F814 AromaticContact CE2-CZ 3.29Å; F730-F814 HydrophobicContact CE2-CZ 3.29Å; F730-F814 HydrophobicContact CZ-CZ 4.16Å; H780-F814 AromaticContact CD2-CZ 3.73Å; F812-F814 HydrophobicContact CE1-CB 3.86Å; F812-F814 HydrophobicContact CZ-CD2 4.49Å
815	Y	96.3	Very high	89.1	Confident	3 Å²	3	43.7 Å²	43.7	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.7	178.4	172.8	-94.2	0	0	0	110.3	F160 D162 H780 M781 H817 W824	F160-Y815 HydrophobicContact CB-CD2 4.2Å; F160-Y815 AromaticContact CD1-CD2 3.38Å; F160-Y815 HydrophobicContact CD1-CD2 3.38Å; F160-Y815 AromaticContact CD1-CE2 3.5Å; F160-Y815 HydrophobicContact CD1-CE2 3.5Å; F160-Y815 HydrophobicContact CE1-CD2 4.11Å; F160-Y815 AromaticContact CE1-CE2 3.76Å; F160-Y815 HydrophobicContact CE1-CE2 3.76Å; F160-Y815 HydrophobicContact CG-CD2 4.1Å; F160-Y815 VanDerWaalsContact O-CA 3.3Å; F160-Y815 WeakPolarHBondContact O-CA 3.24Å; D162-Y815 HydrophobicContact CB-CE2 4.43Å; H780-Y815 WeakPolarHBondContact CA-O 3.46Å; M781-Y815 HydrophobicContact CB-CD1 4.12Å; M781-Y815 HydrophobicContact CE-CD1 3.34Å; M781-Y815 HydrophobicContact CE-CE1 3.27Å; M781-Y815 HydrophobicContact CE-CG 4.37Å; M781-Y815 HydrophobicContact CG-CD1 4.35Å; M781-Y815 PolarHBondContact N-O 3.42Å; M781-Y815 WeakPolarHBondContact O-CA 3.35Å; M781-Y815 PolarHBondContact O-N 2.9Å; M781-Y815 VanDerWaalsContact O-O 3.14Å; Y815-H817 HydrophobicContact CE1-CB 4.45Å; Y815-H817 AromaticContact CE1-CD2 3.61Å; Y815-W824 HydrophobicContact CD1-CE3 4.24Å; Y815-W824 HydrophobicContact CD2-CB 4.26Å; Y815-W824 AromaticContact CD2-CD2 3.45Å; Y815-W824 HydrophobicContact CD2-CD2 3.45Å; Y815-W824 VanDerWaalsContact CD2-CD2 3.45Å; Y815-W824 AromaticContact CD2-CE2 3.82Å; Y815-W824 AromaticContact CD2-CE3 3.67Å; Y815-W824 HydrophobicContact CD2-CE3 3.67Å; Y815-W824 AromaticContact CD2-CG 3.73Å; Y815-W824 HydrophobicContact CD2-CG 3.73Å; Y815-W824 HydrophobicContact CD2-CZ2 4.35Å; Y815-W824 HydrophobicContact CD2-CZ3 4.2Å; Y815-W824 HydrophobicContact CE2-CB 3.68Å; Y815-W824 AromaticContact CE2-CD1 3.95Å; Y815-W824 AromaticContact CE2-CD2 3.81Å; Y815-W824 HydrophobicContact CE2-CD2 3.81Å; Y815-W824 HydrophobicContact CE2-CE3 4.26Å; Y815-W824 AromaticContact CE2-CG 3.54Å; Y815-W824 HydrophobicContact CE2-CG 3.54Å; Y815-W824 AromaticContact CG-CD2 3.99Å; Y815-W824 HydrophobicContact CG-CD2 3.99Å; Y815-W824 AromaticContact CG-CE3 3.68Å; Y815-W824 HydrophobicContact CG-CE3 3.68Å; Y815-W824 AromaticContact CG-CZ3 3.97Å; Y815-W824 HydrophobicContact CG-CZ3 3.97Å
816	S	96.5	Very high	89.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.7	168.9	97.9	0	0	0	0	113.7	F160 Y161 D162 N234 Q237 S779	F160-S816 PolarHBondContact O-N 2.77Å; Y161-S816 CarbonylContact C-O 3.58Å; Y161-S816 VanDerWaalsContact CA-O 3.27Å; Y161-S816 WeakPolarHBondContact CA-O 3.13Å; D162-S816 PolarHBondContact N-O 3.28Å; N234-S816 WeakPolarHBondContact ND2-CB 3.49Å; N234-S816 PolarHBondContact ND2-OG 3.3Å; N234-S816 VanDerWaalsContact ND2-OG 3.14Å; Q237-S816 PolarHBondContact OE1-OG 3.03Å; S779-S816 CarbonylContact O-C 3.56Å; S779-S816 WeakPolarHBondContact O-CA 3.43Å
817	H	96.1	Very high	90.6	Very high	24 Å²	24	40.9 Å²	40.9	11%	0.111	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	160	173	73.6	82.3	0	0	0	115.1	G108 D162 P778 S779 Y815 A821	G108-H817 WeakPolarHBondContact CA-O 3.32Å; D162-H817 HydrophobicContact CB-CB 3.98Å; D162-H817 WeakPolarHBondContact O-CA 3.28Å; D162-H817 VanDerWaalsContact O-CB 3.31Å; D162-H817 WeakPolarHBondContact O-CB 3.23Å; P778-H817 PolarHBondContact O-NE2 3.45Å; S779-H817 VanDerWaalsContact CA-CD2 3.49Å; S779-H817 WeakPolarHBondContact CA-CD2 3.46Å; S779-H817 WeakPolarHBondContact CA-NE2 3.39Å; S779-H817 WeakPolarHBondContact CB-O 3.4Å; S779-H817 PolarHBondContact O-N 2.85Å; Y815-H817 HydrophobicContact CE1-CB 4.45Å; Y815-H817 AromaticContact CE1-CD2 3.61Å; H817-A821 HydrophobicContact CB-CB 3.61Å; H817-A821 WeakPolarHBondContact ND1-CB 3.34Å
818	G	94.3	Very high	91.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.01	19%	0.191	C	C	.	.			trans	-73	-152.3	172.9	0	0	0	0	0	113.9	D162	D162-G818 PolarHBondContact O-N 3.45Å
819	L	86.9	Confident	92.5	Very high	76 Å²	76	29.9 Å²	29.9	40%	0.398	17%	0.174	S	C	.	.	S	Bend	trans	-65.8	-42.9	-172.5	-69.8	167.9	0	0	0	115.1	E113 V114	E113-L819 HydrophobicContact CB-CD1 3.72Å; E113-L819 HydrophobicContact CB-CD2 3.76Å; E113-L819 HydrophobicContact CB-CG 3.48Å; E113-L819 VanDerWaalsContact CB-CG 3.48Å; E113-L819 HydrophobicContact CG-CD2 4.11Å; E113-L819 HydrophobicContact CG-CG 3.89Å; V114-L819 HydrophobicContact CG2-CD1 3.48Å; V114-L819 VanDerWaalsContact CG2-CD1 3.48Å; V114-L819 HydrophobicContact CG2-CD2 4.19Å; V114-L819 HydrophobicContact CG2-CG 4.43Å
820	D	76.3	Confident	93	Very high	125 Å²	125	28.5 Å²	28.5	67%	0.668	16%	0.16	S	C	*	.			trans	-123.1	125.7	179	-70.6	-49.8	0	0	0	107.3	R163	R163-D820 PolarHBondContact NE-O 3.37Å; R163-D820 PolarHBondContact NH2-O 3.02Å
821	A	82.5	Confident	93.1	Very high	24 Å²	24	31.7 Å²	31.7	20%	0.198	18%	0.175	C	C	.	.			trans	-130.3	143.1	170.4	0	0	0	0	0	110.2	D162 H817	D162-A821 HydrophobicContact CB-CB 4.45Å; D162-A821 WeakPolarHBondContact OD2-CB 3.22Å; H817-A821 HydrophobicContact CB-CB 3.61Å; H817-A821 WeakPolarHBondContact ND1-CB 3.34Å
822	A	90.1	Very high	92.9	Very high	54 Å²	54	32.3 Å²	32.3	45%	0.446	18%	0.181	S	C	.	.			trans	-69.7	163.6	168.3	0	0	0	0	0	109.1	W824	A822-W824 PolarHBondContact O-N 3.25Å; A822-W824 VanDerWaalsContact O-N 3.15Å
823	P	94.2	Very high	92.4	Very high	61 Å²	61	34.3 Å²	34.3	40%	0.396	20%	0.195	S	C	.	.			trans	-51.2	125.1	167.6	-24.5	33.9	0	0	0	110.5	V775 K776 T825	V775-P823 CarbonylContact O-C 3.56Å; V775-P823 WeakPolarHBondContact O-CA 3.32Å; K776-P823 HydrophobicContact CB-CB 4.42Å; K776-P823 HydrophobicContact CD-CG 4.38Å; P823-T825 PolarHBondContact O-N 2.85Å
824	W	95.6	Very high	91.5	Very high	6 Å²	6	41 Å²	41	2%	0.023	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	115.6	178	174.4	35.2	0	0	0	109	F160 S774 V775 L783 L798 V813 Y815 A822 F826 I849	F160-W824 HydrophobicContact CB-CZ2 4.37Å; F160-W824 AromaticContact CD1-NE1 3.86Å; F160-W824 AromaticContact CD2-NE1 3.75Å; F160-W824 AromaticContact CE1-CD1 3.79Å; F160-W824 AromaticContact CE1-NE1 3.87Å; F160-W824 AromaticContact CE2-NE1 3.76Å; F160-W824 HydrophobicContact CG-CZ2 4.45Å; F160-W824 AromaticContact CG-NE1 3.8Å; F160-W824 AromaticContact CZ-CD1 3.86Å; F160-W824 AromaticContact CZ-NE1 3.82Å; S774-W824 CarbonylContact C-O 3.54Å; S774-W824 WeakPolarHBondContact CA-O 3.41Å; V775-W824 HydrophobicContact CB-CE3 4.33Å; V775-W824 HydrophobicContact CG2-CE3 4.39Å; V775-W824 PolarHBondContact N-O 3.15Å; V775-W824 PolarHBondContact O-N 3.36Å; L783-W824 HydrophobicContact CB-CH2 3.99Å; L783-W824 HydrophobicContact CB-CZ3 4.25Å; L783-W824 HydrophobicContact CD2-CH2 3.95Å; L798-W824 HydrophobicContact CD2-CZ2 4.17Å; V813-W824 HydrophobicContact CG1-CH2 3.95Å; V813-W824 HydrophobicContact CG1-CZ2 4.14Å; Y815-W824 HydrophobicContact CD1-CE3 4.24Å; Y815-W824 HydrophobicContact CD2-CB 4.26Å; Y815-W824 AromaticContact CD2-CD2 3.45Å; Y815-W824 HydrophobicContact CD2-CD2 3.45Å; Y815-W824 VanDerWaalsContact CD2-CD2 3.45Å; Y815-W824 AromaticContact CD2-CE2 3.82Å; Y815-W824 AromaticContact CD2-CE3 3.67Å; Y815-W824 HydrophobicContact CD2-CE3 3.67Å; Y815-W824 AromaticContact CD2-CG 3.73Å; Y815-W824 HydrophobicContact CD2-CG 3.73Å; Y815-W824 HydrophobicContact CD2-CZ2 4.35Å; Y815-W824 HydrophobicContact CD2-CZ3 4.2Å; Y815-W824 HydrophobicContact CE2-CB 3.68Å; Y815-W824 AromaticContact CE2-CD1 3.95Å; Y815-W824 AromaticContact CE2-CD2 3.81Å; Y815-W824 HydrophobicContact CE2-CD2 3.81Å; Y815-W824 HydrophobicContact CE2-CE3 4.26Å; Y815-W824 AromaticContact CE2-CG 3.54Å; Y815-W824 HydrophobicContact CE2-CG 3.54Å; Y815-W824 AromaticContact CG-CD2 3.99Å; Y815-W824 HydrophobicContact CG-CD2 3.99Å; Y815-W824 AromaticContact CG-CE3 3.68Å; Y815-W824 HydrophobicContact CG-CE3 3.68Å; Y815-W824 AromaticContact CG-CZ3 3.97Å; Y815-W824 HydrophobicContact CG-CZ3 3.97Å; A822-W824 PolarHBondContact O-N 3.25Å; A822-W824 VanDerWaalsContact O-N 3.15Å; W824-F826 AromaticContact CD2-CD1 3.69Å; W824-F826 HydrophobicContact CD2-CD1 3.69Å; W824-F826 HydrophobicContact CD2-CE1 4.16Å; W824-F826 AromaticContact CE2-CD1 3.45Å; W824-F826 VanDerWaalsContact CE2-CD1 3.45Å; W824-F826 HydrophobicContact CE3-CD1 4Å; W824-F826 AromaticContact CE3-CE1 3.99Å; W824-F826 HydrophobicContact CE3-CE1 3.99Å; W824-F826 HydrophobicContact CG-CD1 4.3Å; W824-F826 AromaticContact CH2-CD1 3.9Å; W824-F826 HydrophobicContact CH2-CD1 3.9Å; W824-F826 AromaticContact CH2-CE1 3.93Å; W824-F826 HydrophobicContact CH2-CE1 3.93Å; W824-F826 HydrophobicContact CZ2-CB 4.29Å; W824-F826 AromaticContact CZ2-CD1 3.58Å; W824-F826 HydrophobicContact CZ2-CD1 3.58Å; W824-F826 HydrophobicContact CZ2-CE1 4.1Å; W824-F826 HydrophobicContact CZ2-CG 4.05Å; W824-F826 HydrophobicContact CZ3-CD1 4.1Å; W824-F826 AromaticContact CZ3-CE1 3.87Å; W824-F826 HydrophobicContact CZ3-CE1 3.87Å; W824-F826 AromaticContact NE1-CD1 3.94Å; W824-I849 HydrophobicContact CZ3-CD1 4.42Å
825	T	96.5	Very high	90.3	Very high	86 Å²	86	48.6 Å²	48.6	53%	0.528	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.9	177	-54.5	0	0	0	0	109.5	T772 F773 P823	T772-T825 HydrophobicContact CG2-CG2 3.98Å; F773-T825 VanDerWaalsContact O-CA 3.29Å; F773-T825 WeakPolarHBondContact O-CA 3.15Å; P823-T825 PolarHBondContact O-N 2.85Å
826	F	96.7	Very high	88.8	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161.5	176.4	66.2	-92.9	0	0	0	110.9	F756 T772 F773 V775 L783 S797 L798 W824 F828	F756-F826 HydrophobicContact CE2-CZ 4.16Å; T772-F826 WeakPolarHBondContact CA-O 3.27Å; F773-F826 HydrophobicContact CB-CD1 4.4Å; F773-F826 HydrophobicContact CB-CD2 4.38Å; F773-F826 HydrophobicContact CB-CE1 3.92Å; F773-F826 HydrophobicContact CB-CE2 3.86Å; F773-F826 HydrophobicContact CB-CZ 3.61Å; F773-F826 HydrophobicContact CD2-CD2 4.37Å; F773-F826 AromaticContact CD2-CE2 3.73Å; F773-F826 HydrophobicContact CD2-CE2 3.73Å; F773-F826 HydrophobicContact CD2-CZ 4.2Å; F773-F826 HydrophobicContact CG-CE2 4Å; F773-F826 AromaticContact CG-CZ 3.99Å; F773-F826 HydrophobicContact CG-CZ 3.99Å; F773-F826 PolarHBondContact N-O 2.93Å; F773-F826 PolarHBondContact O-N 3.5Å; F773-F826 VanDerWaalsContact O-N 3.09Å; V775-F826 HydrophobicContact CG2-CD1 4.48Å; V775-F826 HydrophobicContact CG2-CE1 3.65Å; V775-F826 HydrophobicContact CG2-CZ 4.44Å; L783-F826 HydrophobicContact CD1-CE2 4.24Å; L783-F826 HydrophobicContact CD1-CZ 3.71Å; L783-F826 HydrophobicContact CD2-CD2 4.06Å; L783-F826 HydrophobicContact CD2-CE1 4.03Å; L783-F826 HydrophobicContact CD2-CE2 3.43Å; L783-F826 VanDerWaalsContact CD2-CE2 3.43Å; L783-F826 HydrophobicContact CD2-CZ 3.41Å; L783-F826 VanDerWaalsContact CD2-CZ 3.41Å; L783-F826 HydrophobicContact CG-CE2 4.48Å; L783-F826 HydrophobicContact CG-CZ 4.17Å; S797-F826 WeakPolarHBondContact OG-CA 3.35Å; S797-F826 WeakPolarHBondContact OG-CB 3.34Å; L798-F826 HydrophobicContact CD2-CB 4.31Å; W824-F826 AromaticContact CD2-CD1 3.69Å; W824-F826 HydrophobicContact CD2-CD1 3.69Å; W824-F826 HydrophobicContact CD2-CE1 4.16Å; W824-F826 AromaticContact CE2-CD1 3.45Å; W824-F826 VanDerWaalsContact CE2-CD1 3.45Å; W824-F826 HydrophobicContact CE3-CD1 4Å; W824-F826 AromaticContact CE3-CE1 3.99Å; W824-F826 HydrophobicContact CE3-CE1 3.99Å; W824-F826 HydrophobicContact CG-CD1 4.3Å; W824-F826 AromaticContact CH2-CD1 3.9Å; W824-F826 HydrophobicContact CH2-CD1 3.9Å; W824-F826 AromaticContact CH2-CE1 3.93Å; W824-F826 HydrophobicContact CH2-CE1 3.93Å; W824-F826 HydrophobicContact CZ2-CB 4.29Å; W824-F826 AromaticContact CZ2-CD1 3.58Å; W824-F826 HydrophobicContact CZ2-CD1 3.58Å; W824-F826 HydrophobicContact CZ2-CE1 4.1Å; W824-F826 HydrophobicContact CZ2-CG 4.05Å; W824-F826 HydrophobicContact CZ3-CD1 4.1Å; W824-F826 AromaticContact CZ3-CE1 3.87Å; W824-F826 HydrophobicContact CZ3-CE1 3.87Å; W824-F826 AromaticContact NE1-CD1 3.94Å; F826-F828 HydrophobicContact CD2-CD1 4.41Å; F826-F828 HydrophobicContact CE2-CD1 4.16Å; F826-F828 HydrophobicContact CE2-CE1 4.17Å
827	W	96.8	Very high	87.3	Confident	72 Å²	72	56.8 Å²	56.8	27%	0.273	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.8	175.6	61.3	-98	0	0	0	111.5	K770 M771 T772 T795 W796 S797 E829	K770-W827 HydrophobicContact CD-CE3 4.31Å; K770-W827 VanDerWaalsContact CE-CD2 3.4Å; K770-W827 HydrophobicContact CG-CE3 4.33Å; M771-W827 CarbonylContact O-C 3.56Å; M771-W827 WeakPolarHBondContact O-CA 3.43Å; M771-W827 VanDerWaalsContact O-CB 3.29Å; M771-W827 WeakPolarHBondContact O-CB 3.3Å; T772-W827 HydrophobicContact CG2-CB 4.28Å; T795-W827 HydrophobicContact CG2-CH2 4.36Å; T795-W827 HydrophobicContact CG2-CZ3 4.05Å; W796-W827 CarbonylContact C-O 3.49Å; W796-W827 WeakPolarHBondContact CA-O 3.42Å; W796-W827 WeakPolarHBondContact CB-O 3.43Å; S797-W827 VanDerWaalsContact CB-NE1 3.33Å; S797-W827 PolarHBondContact N-O 3.21Å; S797-W827 PolarHBondContact OG-N 3.39Å; S797-W827 PolarHBondContact OG-O 3.2Å; W827-E829 HydrophobicContact CE3-CG 4.26Å; W827-E829 HydrophobicContact CZ3-CG 3.99Å
828	F	96.6	Very high	85.5	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.009	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	155.3	169.8	58.6	-104.4	0	0	0	110.9	M771 F773 L785 L793 T795 W796 F826 I845 V847	M771-F828 HydrophobicContact CB-CE2 4.06Å; M771-F828 HydrophobicContact CB-CZ 4.28Å; M771-F828 HydrophobicContact CG-CE2 4.35Å; M771-F828 PolarHBondContact N-O 3.43Å; M771-F828 PolarHBondContact O-N 2.92Å; M771-F828 HydrophobicContact SD-CE2 3.93Å; M771-F828 HydrophobicContact SD-CZ 4.21Å; F773-F828 HydrophobicContact CD2-CD1 4.44Å; F773-F828 AromaticContact CD2-CE1 3.82Å; F773-F828 HydrophobicContact CD2-CE1 3.82Å; F773-F828 HydrophobicContact CD2-CZ 4.35Å; F773-F828 HydrophobicContact CE2-CD1 4.17Å; F773-F828 AromaticContact CE2-CE1 3.27Å; F773-F828 HydrophobicContact CE2-CE1 3.27Å; F773-F828 HydrophobicContact CE2-CE2 4.32Å; F773-F828 AromaticContact CE2-CZ 3.37Å; F773-F828 HydrophobicContact CE2-CZ 3.37Å; F773-F828 HydrophobicContact CZ-CE1 4.08Å; F773-F828 AromaticContact CZ-CZ 3.87Å; F773-F828 HydrophobicContact CZ-CZ 3.87Å; L785-F828 HydrophobicContact CD1-CD1 4.07Å; L785-F828 HydrophobicContact CD1-CE1 4.35Å; L785-F828 HydrophobicContact CD2-CD1 4.24Å; L785-F828 HydrophobicContact CD2-CE1 3.71Å; L785-F828 HydrophobicContact CD2-CZ 4.23Å; L793-F828 HydrophobicContact CD2-CB 3.88Å; L793-F828 HydrophobicContact CD2-CD2 3.48Å; L793-F828 VanDerWaalsContact CD2-CD2 3.48Å; L793-F828 HydrophobicContact CD2-CE2 4.24Å; L793-F828 HydrophobicContact CD2-CG 3.85Å; T795-F828 WeakPolarHBondContact O-CA 3.46Å; W796-F828 HydrophobicContact CB-CB 3.82Å; F826-F828 HydrophobicContact CD2-CD1 4.41Å; F826-F828 HydrophobicContact CE2-CD1 4.16Å; F826-F828 HydrophobicContact CE2-CE1 4.17Å; F828-I845 HydrophobicContact CE2-CD1 3.86Å; F828-I845 HydrophobicContact CE2-CG2 4.48Å; F828-I845 HydrophobicContact CZ-CD1 4.08Å; F828-V847 HydrophobicContact CE1-CG2 4.31Å; F828-V847 HydrophobicContact CZ-CG2 3.78Å
829	E	95.6	Very high	83.9	Confident	36 Å²	36	65.6 Å²	65.6	17%	0.168	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.3	175.8	-71	-173.4	-156	0	0	110	T768 V769 K770 L793 S794 T795 W827	T768-E829 PolarHBondContact OG1-OE2 2.89Å; V769-E829 WeakPolarHBondContact O-CA 3.49Å; K770-E829 HydrophobicContact CB-CG 3.93Å; K770-E829 HydrophobicContact CD-CG 4.39Å; K770-E829 HydrophobicContact CG-CG 4.02Å; L793-E829 WeakPolarHBondContact CA-O 3.36Å; S794-E829 PolarHBondContact N-O 3.48Å; S794-E829 WeakPolarHBondContact OG-CB 3.18Å; S794-E829 PolarHBondContact OG-O 3.43Å; T795-E829 HydrophobicContact CG2-CB 4.04Å; T795-E829 HydrophobicContact CG2-CG 4.17Å; T795-E829 PolarHBondContact O-N 2.89Å; W827-E829 HydrophobicContact CE3-CG 4.26Å; W827-E829 HydrophobicContact CZ3-CG 3.99Å
830	I	94.4	Very high	82.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.6	176.7	-170.2	158.9	0	0	0	109.9	T768 V769 M771 A791 S792 P832 M844 I845	T768-I830 CarbonylContact C-O 3.5Å; T768-I830 WeakPolarHBondContact CA-O 3.5Å; V769-I830 HydrophobicContact CB-CG2 3.91Å; V769-I830 PolarHBondContact N-O 2.74Å; V769-I830 WeakPolarHBondContact O-CG2 3.27Å; V769-I830 PolarHBondContact O-N 2.88Å; M771-I830 HydrophobicContact CE-CG2 4.34Å; A791-I830 HydrophobicContact CB-CD1 3.9Å; A791-I830 HydrophobicContact CB-CG1 4.13Å; S792-I830 WeakPolarHBondContact O-CA 3.35Å; I830-P832 VanDerWaalsContact O-CD 3.31Å; I830-P832 WeakPolarHBondContact O-CD 3.11Å; I830-M844 HydrophobicContact CD1-CB 3.84Å; I830-M844 WeakPolarHBondContact CD1-O 3.26Å; I830-M844 HydrophobicContact CG2-CE 4.12Å; I830-M844 HydrophobicContact CG2-SD 4.27Å; I830-I845 HydrophobicContact CD1-CB 3.59Å; I830-I845 HydrophobicContact CD1-CD1 4.09Å; I830-I845 HydrophobicContact CD1-CG1 4.36Å; I830-I845 HydrophobicContact CD1-CG2 3.99Å
831	Q	92.4	Very high	81.8	Confident	73 Å²	73	63.1 Å²	63.1	34%	0.341	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.4	164.8	-174.5	60.4	55.4	0	0	108	T768 A791 S792	T768-Q831 VanDerWaalsContact CG2-OE1 3.3Å; A791-Q831 VanDerWaalsContact CA-O 3.27Å; A791-Q831 WeakPolarHBondContact CA-O 3.47Å; S792-Q831 PolarHBondContact N-O 3.22Å; S792-Q831 PolarHBondContact O-N 3.24Å
832	P	87.6	Confident	81	Confident	31 Å²	31	66.8 Å²	66.8	20%	0.201	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-64.7	154.9	176.5	-20.5	33.9	0	0	0	111.5	G767 V769 I830 M844	G767-P832 VanDerWaalsContact O-CD 3.25Å; G767-P832 WeakPolarHBondContact O-CD 3.31Å; V769-P832 HydrophobicContact CG2-CG 3.9Å; I830-P832 VanDerWaalsContact O-CD 3.31Å; I830-P832 WeakPolarHBondContact O-CD 3.11Å; P832-M844 HydrophobicContact CB-SD 3.79Å; P832-M844 HydrophobicContact CG-SD 3.83Å
833	P	83.2	Confident	80.6	Confident	46 Å²	46	65.4 Å²	65.4	30%	0.299	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-63.6	138.8	174.3	27.1	-32.4	0	0	0	111.2	G790 E835	G790-P833 WeakPolarHBondContact O-CA 3.32Å; P833-E835 VanDerWaalsContact C-N 3.33Å
834	T	76.4	Confident	80.4	Confident	141 Å²	141	63.8 Å²	63.8	87%	0.865	38%	0.38	S	S	*	.	S	Bend	trans	-74	-22	177.8	31.5	0	0	0	0	113.7
835	E	71.6	Confident	80.2	Confident	158 Å²	158	63.5 Å²	63.5	74%	0.738	38%	0.379	S	S	*	.	S	Bend	trans	-123.3	138.8	176.9	-66.9	-174.6	176.9	0	0	110.2	P833	P833-E835 VanDerWaalsContact C-N 3.33Å
836	P	64.8	Low	80.2	Confident	121 Å²	121	59.4 Å²	59.4	79%	0.786	35%	0.354	S	S	*	.			trans	-66.7	139.4	177.3	26.9	-33.2	0	0	0	111.1	P838	P836-P838 WeakPolarHBondContact O-CD 3.36Å
837	D	64.3	Low	80.2	Confident	54 Å²	54	59.4 Å²	59.4	29%	0.289	35%	0.354	S	S	.	.			trans	-64.3	122.4	179.9	-170.2	-20.9	0	0	0	110.9	A839 G840	D837-A839 PolarHBondContact O-N 2.61Å; D837-A839 VanDerWaalsContact O-N 3.14Å; D837-A839 WeakPolarHBondContact OD1-CB 3.43Å; D837-A839 PolarHBondContact OD1-N 3.48Å; D837-G840 PolarHBondContact O-N 2.61Å
838	P	58.2	Low	80.2	Confident	128 Å²	128	56 Å²	56	83%	0.831	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-15.1	176.9	23.4	-32.9	0	0	0	114.6	P836	P836-P838 WeakPolarHBondContact O-CD 3.36Å
839	A	61.1	Low	80.2	Confident	83 Å²	83	55.9 Å²	55.9	69%	0.686	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-7.1	178	0	0	0	0	0	114.7	D837	D837-A839 PolarHBondContact O-N 2.61Å; D837-A839 VanDerWaalsContact O-N 3.14Å; D837-A839 WeakPolarHBondContact OD1-CB 3.43Å; D837-A839 PolarHBondContact OD1-N 3.48Å
840	G	58.3	Low	80.3	Confident	31 Å²	31	54.1 Å²	54.1	32%	0.32	33%	0.333	S	S	.	.			trans	112.9	175.1	-175.6	0	0	0	0	0	112.7	D837 E842	D837-G840 PolarHBondContact O-N 2.61Å; G840-E842 PolarHBondContact O-N 2.87Å
841	P	60.5	Low	80.4	Confident	118 Å²	118	54.1 Å²	54.1	77%	0.766	33%	0.333	S	S	*	.			trans	-75	98.1	-176.8	29.6	-31.9	0	0	0	110.3	L679	L679-P841 HydrophobicContact CD1-CB 4.48Å; L679-P841 VanDerWaalsContact CD1-O 3.26Å; L679-P841 WeakPolarHBondContact CD1-O 3.39Å
842	E	66.6	Low	80.7	Confident	101 Å²	101	50.7 Å²	50.7	47%	0.472	32%	0.316	S	S	.	.			trans	-78.7	-9.6	170.3	-67.8	-162.5	154.7	0	0	112.6	H788 G840	H788-E842 PolarHBondContact CE1-O 2.83Å; H788-E842 PolarHBondContact ND1-O 2.92Å; G840-E842 PolarHBondContact O-N 2.87Å
843	G	80.4	Confident	81.1	Confident	25 Å²	25	49.7 Å²	49.7	26%	0.258	31%	0.309	S	S	.	.			trans	85	174.9	-164.8	0	0	0	0	0	111.2	H788 Y889	H788-G843 PolarHBondContact ND1-O 2.92Å; G843-Y889 CarbonylContact C-O 3.58Å; G843-Y889 VanDerWaalsContact CA-O 3.25Å; G843-Y889 WeakPolarHBondContact CA-O 3.32Å
844	M	89.8	Confident	81.7	Confident	27 Å²	27	48 Å²	48	13%	0.133	30%	0.297	C	S	.	.	S	Bend	trans	-85.3	-29.2	178.1	-59	178.2	-66.9	0	0	112.1	V769 M771 H788 A791 I830 P832 Y889	V769-M844 HydrophobicContact CB-CE 4.21Å; V769-M844 HydrophobicContact CG1-CE 4.19Å; V769-M844 HydrophobicContact CG2-CE 4.18Å; V769-M844 HydrophobicContact CG2-SD 4.28Å; M771-M844 HydrophobicContact CE-CE 3.47Å; M771-M844 VanDerWaalsContact CE-CE 3.47Å; H788-M844 PolarHBondContact N-O 3.42Å; A791-M844 HydrophobicContact CB-CB 4.47Å; A791-M844 WeakPolarHBondContact CB-O 3.31Å; I830-M844 HydrophobicContact CD1-CB 3.84Å; I830-M844 WeakPolarHBondContact CD1-O 3.26Å; I830-M844 HydrophobicContact CG2-CE 4.12Å; I830-M844 HydrophobicContact CG2-SD 4.27Å; P832-M844 HydrophobicContact CB-SD 3.79Å; P832-M844 HydrophobicContact CG-SD 3.83Å; M844-Y889 PolarHBondContact N-O 3.32Å
845	I	93.1	Very high	82.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	143.6	-172.2	-173.9	162.9	0	0	0	112.1	M771 L785 L793 F828 I830 V847 Y889	M771-I845 HydrophobicContact CE-CG2 4.41Å; M771-I845 HydrophobicContact SD-CG2 4.33Å; L785-I845 HydrophobicContact CB-CD1 4.19Å; L793-I845 HydrophobicContact CD2-CD1 4.25Å; F828-I845 HydrophobicContact CE2-CD1 3.86Å; F828-I845 HydrophobicContact CE2-CG2 4.48Å; F828-I845 HydrophobicContact CZ-CD1 4.08Å; I830-I845 HydrophobicContact CD1-CB 3.59Å; I830-I845 HydrophobicContact CD1-CD1 4.09Å; I830-I845 HydrophobicContact CD1-CG1 4.36Å; I830-I845 HydrophobicContact CD1-CG2 3.99Å; I845-V847 HydrophobicContact CD1-CG2 4.31Å; I845-V847 HydrophobicContact CG1-CG2 4.08Å; I845-V847 HydrophobicContact CG2-CG2 4.26Å; I845-Y889 PolarHBondContact O-N 3.02Å
846	S	95	Very high	83.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.8	162.5	-72.1	0	0	0	0	109.9	M786 H788 M886 Y887	M786-S846 PolarHBondContact N-O 2.88Å; M786-S846 PolarHBondContact O-N 3.1Å; H788-S846 PolarHBondContact CE1-OG 3.1Å; H788-S846 PolarHBondContact NE2-N 3.41Å; H788-S846 PolarHBondContact NE2-OG 3.2Å; S846-M886 VanDerWaalsContact OG-CE 3.32Å; S846-M886 WeakPolarHBondContact OG-CE 3.41Å; S846-Y887 WeakPolarHBondContact CA-O 3.4Å
847	V	96.5	Very high	84.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127	178.2	-178.4	0	0	0	0	107.8	F756 F773 L783 Y784 L785 F828 I845 M886 Y887 Y889	F756-V847 HydrophobicContact CE1-CG1 4.4Å; F756-V847 HydrophobicContact CZ-CG1 3.76Å; F773-V847 HydrophobicContact CZ-CG2 4.36Å; L783-V847 HydrophobicContact CD1-CG1 3.74Å; Y784-V847 WeakPolarHBondContact O-CA 3.48Å; L785-V847 HydrophobicContact CD2-CB 4.38Å; L785-V847 HydrophobicContact CD2-CG1 3.88Å; L785-V847 HydrophobicContact CD2-CG2 4.03Å; F828-V847 HydrophobicContact CE1-CG2 4.31Å; F828-V847 HydrophobicContact CZ-CG2 3.78Å; I845-V847 HydrophobicContact CD1-CG2 4.31Å; I845-V847 HydrophobicContact CG1-CG2 4.08Å; I845-V847 HydrophobicContact CG2-CG2 4.26Å; V847-M886 CarbonylContact O-C 3.49Å; V847-M886 WeakPolarHBondContact O-CA 3.43Å; V847-Y887 PolarHBondContact N-O 3.45Å; V847-Y887 PolarHBondContact O-N 3.36Å; V847-Y889 HydrophobicContact CB-CD2 4.26Å; V847-Y889 HydrophobicContact CB-CE2 4.08Å; V847-Y889 HydrophobicContact CG2-CD2 3.82Å; V847-Y889 HydrophobicContact CG2-CE2 4.07Å
848	A	97.4	Very high	86.2	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146	174.9	0	0	0	0	0	111.5	P723 L783 Y784 Y884 D885 M886	P723-A848 HydrophobicContact CB-CB 4.27Å; P723-A848 HydrophobicContact CG-CB 4.18Å; L783-A848 WeakPolarHBondContact CA-O 3.46Å; Y784-A848 HydrophobicContact CD2-CB 3.8Å; Y784-A848 WeakPolarHBondContact CD2-O 3.3Å; Y784-A848 PolarHBondContact N-O 2.58Å; Y784-A848 PolarHBondContact O-N 2.88Å; A848-Y884 HydrophobicContact CB-CE1 4.12Å; A848-Y884 HydrophobicContact CB-CE2 3.74Å; A848-Y884 VanDerWaalsContact CB-CZ 3.42Å; A848-Y884 WeakPolarHBondContact CB-OH 3.37Å; A848-D885 CarbonylContact C-O 3.22Å; A848-D885 VanDerWaalsContact CA-O 3.23Å; A848-D885 WeakPolarHBondContact CA-O 3.49Å; A848-M886 HydrophobicContact CB-CB 3.99Å; A848-M886 HydrophobicContact CB-CG 4.4Å
849	I	97.5	Very high	87.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.1	173.4	-170.7	73.6	0	0	0	108.1	V754 F756 V775 M781 S782 L783 W824 Y884 D885	V754-I849 HydrophobicContact CG2-CG1 4.43Å; V754-I849 HydrophobicContact CG2-CG2 4.47Å; F756-I849 HydrophobicContact CB-CG2 4.05Å; F756-I849 HydrophobicContact CD1-CG2 4.5Å; F756-I849 HydrophobicContact CD2-CB 4.08Å; F756-I849 HydrophobicContact CD2-CG1 4.37Å; F756-I849 HydrophobicContact CD2-CG2 3.93Å; F756-I849 HydrophobicContact CE2-CB 4.4Å; F756-I849 HydrophobicContact CG-CG2 3.91Å; V775-I849 HydrophobicContact CG1-CD1 4.36Å; V775-I849 HydrophobicContact CG1-CG1 4.29Å; M781-I849 HydrophobicContact CB-CD1 4.13Å; S782-I849 CarbonylContact O-C 3.58Å; S782-I849 WeakPolarHBondContact O-CA 3.36Å; L783-I849 HydrophobicContact CB-CD1 4.17Å; W824-I849 HydrophobicContact CZ3-CD1 4.42Å; I849-Y884 WeakPolarHBondContact O-CA 3.45Å; I849-D885 HydrophobicContact CG2-CB 4.02Å; I849-D885 PolarHBondContact N-O 2.86Å; I849-D885 PolarHBondContact O-N 2.9Å
850	S	97.5	Very high	89.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.6	165.2	62.4	0	0	0	0	111.3	M781 S782 Y784 H852 T883	M781-S850 CarbonylContact C-O 3.59Å; M781-S850 WeakPolarHBondContact CA-O 3.3Å; M781-S850 WeakPolarHBondContact CB-O 3.29Å; S782-S850 WeakPolarHBondContact CB-OG 3.23Å; S782-S850 PolarHBondContact N-O 2.87Å; S782-S850 PolarHBondContact O-N 3.35Å; Y784-S850 WeakPolarHBondContact CE2-OG 3.46Å; Y784-S850 PolarHBondContact OH-OG 3.2Å; S850-H852 PolarHBondContact OG-NE2 3.37Å; S850-T883 WeakPolarHBondContact CA-O 3.44Å; S850-T883 WeakPolarHBondContact CB-O 3.49Å
851	T	97.1	Very high	91.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.9	174.2	64.3	0	0	0	0	110.7	V754 P778 M781 Y853 S882 T883	V754-T851 HydrophobicContact CB-CG2 3.59Å; V754-T851 HydrophobicContact CG1-CG2 4.23Å; V754-T851 HydrophobicContact CG2-CG2 3.77Å; P778-T851 HydrophobicContact CG-CG2 4.12Å; M781-T851 HydrophobicContact CG-CG2 3.92Å; M781-T851 HydrophobicContact SD-CG2 4.01Å; T851-Y853 VanDerWaalsContact OG1-CE2 3.24Å; T851-Y853 WeakPolarHBondContact OG1-CE2 3.44Å; T851-S882 WeakPolarHBondContact O-CA 3.47Å; T851-S882 WeakPolarHBondContact O-CB 3.14Å; T851-T883 PolarHBondContact N-O 2.68Å; T851-T883 VanDerWaalsContact N-O 3.08Å; T851-T883 PolarHBondContact O-N 3.43Å; T851-T883 VanDerWaalsContact O-N 3.16Å; T851-T883 PolarHBondContact OG1-N 3.19Å; T851-T883 PolarHBondContact OG1-OG1 3.38Å
852	H	97.3	Very high	92.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	111	-176.5	-55.6	-81.1	0	0	0	110.3	P728 H780 S782 S850 F854 W880	P728-H852 PolarHBondContact O-CE1 2.85Å; H780-H852 HydrophobicContact CB-CB 4.09Å; H780-H852 PolarHBondContact O-N 2.82Å; S782-H852 PolarHBondContact OG-NE2 3.44Å; S850-H852 PolarHBondContact OG-NE2 3.37Å; H852-F854 HydrophobicContact CB-CD2 4.41Å; H852-F854 HydrophobicContact CB-CE1 4.21Å; H852-F854 HydrophobicContact CB-CE2 3.9Å; H852-F854 HydrophobicContact CB-CZ 3.78Å; H852-F854 PolarHBondContact O-N 2.93Å; H852-W880 AromaticContact ND1-NE1 3.45Å; H852-W880 PolarHBondContact ND1-NE1 2.94Å
853	Y	96.6	Very high	94.1	Very high	10 Å²	10	36.9 Å²	36.9	4%	0.039	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	83.7	-179.5	-59.1	-95.9	0	0	0	109.6	P750 S752 P778 T851 D858 R859 W880 V881 T883	P750-Y853 HydrophobicContact CB-CD1 4.07Å; P750-Y853 HydrophobicContact CB-CD2 4.35Å; P750-Y853 HydrophobicContact CB-CE1 3.45Å; P750-Y853 VanDerWaalsContact CB-CE1 3.45Å; P750-Y853 HydrophobicContact CB-CE2 3.8Å; P750-Y853 HydrophobicContact CB-CG 4.5Å; P750-Y853 HydrophobicContact CG-CD2 4.04Å; P750-Y853 HydrophobicContact CG-CE1 4.08Å; P750-Y853 HydrophobicContact CG-CE2 3.43Å; P750-Y853 VanDerWaalsContact CG-CE2 3.43Å; P750-Y853 VanDerWaalsContact CG-CZ 3.45Å; S752-Y853 PolarHBondContact O-OH 3.45Å; P778-Y853 HydrophobicContact CB-CD1 3.86Å; P778-Y853 HydrophobicContact CB-CE1 3.74Å; P778-Y853 HydrophobicContact CG-CD1 4.15Å; P778-Y853 HydrophobicContact CG-CE1 3.77Å; P778-Y853 HydrophobicContact CG-CE2 4.21Å; T851-Y853 VanDerWaalsContact OG1-CE2 3.24Å; T851-Y853 WeakPolarHBondContact OG1-CE2 3.44Å; Y853-D858 HydrophobicContact CD1-CB 3.6Å; Y853-D858 HydrophobicContact CE1-CB 4.32Å; Y853-D858 HydrophobicContact CG-CB 4.08Å; Y853-R859 WeakPolarHBondContact O-CA 3.48Å; Y853-R859 WeakPolarHBondContact O-CB 3.27Å; Y853-W880 WeakPolarHBondContact O-CB 3.46Å; Y853-V881 HydrophobicContact CD2-CB 4.39Å; Y853-V881 HydrophobicContact CD2-CG1 4.13Å; Y853-V881 WeakPolarHBondContact CD2-O 3.2Å; Y853-V881 PolarHBondContact N-O 3.06Å; Y853-T883 HydrophobicContact CE2-CG2 4.45Å
854	F	95.2	Very high	94.8	Very high	12 Å²	12	35.8 Å²	35.8	5%	0.053	19%	0.187	C	C	.	.			trans	-77.4	-23.2	-174.3	-69.8	-50.3	0	0	0	115.3	P106 A191 F730 H780 H852 R859 W880	P106-F854 HydrophobicContact CB-CB 4.45Å; P106-F854 HydrophobicContact CG-CB 4.47Å; A191-F854 HydrophobicContact CB-CB 4.04Å; A191-F854 HydrophobicContact CB-CD1 3.59Å; A191-F854 HydrophobicContact CB-CE1 4.22Å; A191-F854 HydrophobicContact CB-CG 3.93Å; F730-F854 AromaticContact CD2-CE2 3.81Å; F730-F854 HydrophobicContact CD2-CE2 3.81Å; F730-F854 AromaticContact CD2-CZ 3.42Å; F730-F854 HydrophobicContact CD2-CZ 3.42Å; F730-F854 VanDerWaalsContact CD2-CZ 3.42Å; F730-F854 AromaticContact CE2-CE2 3.68Å; F730-F854 HydrophobicContact CE2-CE2 3.68Å; F730-F854 AromaticContact CE2-CZ 3.63Å; F730-F854 HydrophobicContact CE2-CZ 3.63Å; F730-F854 HydrophobicContact CG-CZ 4Å; F730-F854 HydrophobicContact CZ-CZ 4.44Å; H780-F854 HydrophobicContact CB-CD2 4.08Å; H780-F854 HydrophobicContact CB-CE2 3.82Å; H780-F854 AromaticContact CD2-CE2 3.92Å; H780-F854 AromaticContact CE1-CD2 3.78Å; H780-F854 AromaticContact CG-CD2 3.64Å; H780-F854 AromaticContact CG-CE2 3.65Å; H780-F854 AromaticContact ND1-CD2 3.47Å; H780-F854 WeakPolarHBondContact ND1-CD2 3.27Å; H780-F854 AromaticContact ND1-CE2 3.98Å; H852-F854 HydrophobicContact CB-CD2 4.41Å; H852-F854 HydrophobicContact CB-CE1 4.21Å; H852-F854 HydrophobicContact CB-CE2 3.9Å; H852-F854 HydrophobicContact CB-CZ 3.78Å; H852-F854 PolarHBondContact O-N 2.93Å; F854-R859 WeakPolarHBondContact O-CD 3.44Å; F854-W880 HydrophobicContact CD1-CB 4.09Å; F854-W880 AromaticContact CD1-CD2 3.82Å; F854-W880 HydrophobicContact CD1-CD2 3.82Å; F854-W880 HydrophobicContact CD1-CE3 4.16Å; F854-W880 AromaticContact CD1-CG 3.78Å; F854-W880 HydrophobicContact CD1-CG 3.78Å; F854-W880 AromaticContact CE1-CD2 3.5Å; F854-W880 HydrophobicContact CE1-CD2 3.5Å; F854-W880 AromaticContact CE1-CE2 3.53Å; F854-W880 AromaticContact CE1-CE3 3.89Å; F854-W880 HydrophobicContact CE1-CE3 3.89Å; F854-W880 AromaticContact CE1-CG 3.83Å; F854-W880 HydrophobicContact CE1-CG 3.83Å; F854-W880 HydrophobicContact CE1-CH2 4.29Å; F854-W880 AromaticContact CE1-CZ2 3.94Å; F854-W880 HydrophobicContact CE1-CZ2 3.94Å; F854-W880 HydrophobicContact CE1-CZ3 4.28Å; F854-W880 AromaticContact CE1-NE1 3.9Å
855	F	94.4	Very high	95	Very high	52 Å²	52	36.6 Å²	36.6	23%	0.228	19%	0.191	C	C	.	.	S	Bend	trans	-138.5	177.8	-174	54.8	-93.5	0	0	0	111.1	P106 V107 G108 S779	P106-F855 HydrophobicContact CB-CD1 4.28Å; P106-F855 HydrophobicContact CG-CB 4.24Å; P106-F855 HydrophobicContact CG-CD1 3.62Å; P106-F855 HydrophobicContact CG-CE1 4.42Å; P106-F855 HydrophobicContact CG-CG 4.32Å; V107-F855 VanDerWaalsContact O-CE1 3.29Å; V107-F855 WeakPolarHBondContact O-CE1 3.43Å; G108-F855 WeakPolarHBondContact O-CZ 3.44Å; S779-F855 WeakPolarHBondContact OG-CE1 3.4Å; S779-F855 WeakPolarHBondContact OG-CZ 3.22Å
856	G	92.3	Very high	95.1	Very high	49 Å²	49	41.5 Å²	41.5	51%	0.505	21%	0.214	S	C	.	.	S	Bend	trans	73.3	-166.2	-176.9	0	0	0	0	0	114.2	R859	G856-R859 WeakPolarHBondContact O-CD 3.29Å; G856-R859 VanDerWaalsContact O-CG 3.31Å; G856-R859 WeakPolarHBondContact O-CG 3.41Å
857	E	92.1	Very high	95	Very high	179 Å²	179	42.1 Å²	42.1	84%	0.836	22%	0.217	S	C	*	.	S	Bend	trans	-73.3	-36.9	179	-62.7	-169	155.8	0	0	111.8	R859 R860	E857-R859 PolarHBondContact O-N 2.89Å; E857-R859 VanDerWaalsContact O-N 3.11Å; E857-R860 PolarHBondContact O-N 3.33Å; E857-R860 VanDerWaalsContact O-N 3.13Å
858	D	92.9	Very high	94.9	Very high	46 Å²	46	43.5 Å²	43.5	25%	0.246	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.6	-177	-75.4	-25.2	0	0	0	114.1	P750 G751 S752 Y853 R860 V881	P750-D858 HydrophobicContact CB-CB 4.26Å; G751-D858 VanDerWaalsContact N-CG 3.27Å; G751-D858 PolarHBondContact N-OD1 3.33Å; G751-D858 PolarHBondContact N-OD2 2.96Å; G751-D858 VanDerWaalsContact N-OD2 3.16Å; S752-D858 PolarHBondContact N-OD2 3.44Å; Y853-D858 HydrophobicContact CD1-CB 3.6Å; Y853-D858 HydrophobicContact CE1-CB 4.32Å; Y853-D858 HydrophobicContact CG-CB 4.08Å; D858-R860 PolarHBondContact O-N 2.92Å; D858-V881 WeakPolarHBondContact O-CB 3.48Å; D858-V881 VanDerWaalsContact O-CG2 3.24Å; D858-V881 WeakPolarHBondContact O-CG2 3.41Å
859	R	94.4	Very high	94.7	Very high	61 Å²	61	53 Å²	53	23%	0.23	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-14	175.2	82.9	-168.2	176	167.2	-12.2	113.9	Y853 F854 G856 E857 V881	Y853-R859 WeakPolarHBondContact O-CA 3.48Å; Y853-R859 WeakPolarHBondContact O-CB 3.27Å; F854-R859 WeakPolarHBondContact O-CD 3.44Å; G856-R859 WeakPolarHBondContact O-CD 3.29Å; G856-R859 VanDerWaalsContact O-CG 3.31Å; G856-R859 WeakPolarHBondContact O-CG 3.41Å; E857-R859 PolarHBondContact O-N 2.89Å; E857-R859 VanDerWaalsContact O-N 3.11Å; R859-V881 PolarHBondContact O-N 2.85Å
860	R	93.1	Very high	94.6	Very high	138 Å²	138	56.2 Å²	56.2	52%	0.521	27%	0.274	S	S	.	.			trans	-118.3	150.4	-170.7	-67.1	178.9	176.6	172.1	-1.9	111.4	E857 D858 E865	E857-R860 PolarHBondContact O-N 3.33Å; E857-R860 VanDerWaalsContact O-N 3.13Å; D858-R860 PolarHBondContact O-N 2.92Å; R860-E865 HydrophobicContact CB-CG 4.46Å; R860-E865 WeakPolarHBondContact CD-OE1 3.4Å; R860-E865 WeakPolarHBondContact CG-OE1 3.34Å; R860-E865 IonicContact CZ-OE1 3.87Å; R860-E865 IonicContact NE-OE1 3.77Å; R860-E865 PolarHBondContact NE-OE1 2.9Å
861	T	95.9	Very high	94.5	Very high	29 Å²	29	57.3 Å²	57.3	18%	0.178	28%	0.279	C	S	.	.			trans	-142.2	157	168	52.6	0	0	0	0	108.6	H671 V748 Q863 L864 E865 V881	H671-T861 WeakPolarHBondContact ND1-CB 3.47Å; H671-T861 PolarHBondContact ND1-OG1 3.42Å; V748-T861 HydrophobicContact CG1-CG2 4.05Å; T861-Q863 VanDerWaalsContact C-N 3.28Å; T861-Q863 PolarHBondContact O-N 3.03Å; T861-L864 PolarHBondContact O-N 3.22Å; T861-L864 WeakPolarHBondContact OG1-CB 3.38Å; T861-L864 PolarHBondContact OG1-N 3.42Å; T861-E865 WeakPolarHBondContact O-CB 3.38Å; T861-E865 WeakPolarHBondContact O-CG 3.41Å; T861-E865 PolarHBondContact O-N 3.45Å; T861-V881 HydrophobicContact CG2-CG2 3.71Å
862	A	94.4	Very high	94.4	Very high	75 Å²	75	58 Å²	58	62%	0.62	28%	0.283	S	S	*	.	H	α-helix	trans	-58.1	-41.7	-179.5	0	0	0	0	0	112.1	E865 E866	A862-E865 PolarHBondContact O-N 3Å; A862-E866 WeakPolarHBondContact O-CB 3.41Å; A862-E866 PolarHBondContact O-N 3.04Å
863	Q	93.1	Very high	94.2	Very high	71 Å²	71	62.8 Å²	62.8	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-68.8	-41.9	-179.5	-68.2	78.9	4	0	0	112.1	P746 T861 E866 I867	P746-Q863 HydrophobicContact CG-CG 4.35Å; T861-Q863 VanDerWaalsContact C-N 3.28Å; T861-Q863 PolarHBondContact O-N 3.03Å; Q863-E866 PolarHBondContact O-N 2.89Å; Q863-I867 PolarHBondContact O-N 3.25Å; Q863-I867 VanDerWaalsContact O-N 3.17Å
864	L	94.8	Very high	94.2	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-46.9	176	-176.5	59.8	0	0	0	110.5	L669 H671 I690 T861 E866 I867 L868	L669-L864 HydrophobicContact CB-CD1 3.87Å; L669-L864 HydrophobicContact CD2-CD1 4.42Å; H671-L864 HydrophobicContact CB-CB 4.28Å; H671-L864 HydrophobicContact CB-CD2 4.24Å; I690-L864 HydrophobicContact CD1-CD1 4.5Å; I690-L864 HydrophobicContact CG2-CD1 4.47Å; T861-L864 PolarHBondContact O-N 3.22Å; T861-L864 WeakPolarHBondContact OG1-CB 3.38Å; T861-L864 PolarHBondContact OG1-N 3.42Å; L864-E866 VanDerWaalsContact C-N 3.33Å; L864-E866 PolarHBondContact O-N 3.39Å; L864-I867 PolarHBondContact O-N 3.02Å; L864-L868 HydrophobicContact CD1-CD1 4.45Å; L864-L868 HydrophobicContact CD1-CG 4.4Å; L864-L868 HydrophobicContact CG-CD1 3.97Å; L864-L868 HydrophobicContact CG-CG 4.38Å; L864-L868 WeakPolarHBondContact O-CB 3.45Å; L864-L868 WeakPolarHBondContact O-CG 3.32Å; L864-L868 PolarHBondContact O-N 2.79Å
865	E	95.3	Very high	94.2	Very high	44 Å²	44	63 Å²	63	21%	0.206	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-38.4	177.1	-75.6	-72	165.8	0	0	112.9	R860 T861 A862 L868 R869	R860-E865 HydrophobicContact CB-CG 4.46Å; R860-E865 WeakPolarHBondContact CD-OE1 3.4Å; R860-E865 WeakPolarHBondContact CG-OE1 3.34Å; R860-E865 IonicContact CZ-OE1 3.87Å; R860-E865 IonicContact NE-OE1 3.77Å; R860-E865 PolarHBondContact NE-OE1 2.9Å; T861-E865 WeakPolarHBondContact O-CB 3.38Å; T861-E865 WeakPolarHBondContact O-CG 3.41Å; T861-E865 PolarHBondContact O-N 3.45Å; A862-E865 PolarHBondContact O-N 3Å; E865-L868 PolarHBondContact O-N 2.82Å; E865-R869 WeakPolarHBondContact O-CG 3.1Å; E865-R869 PolarHBondContact O-N 3.48Å; E865-R869 VanDerWaalsContact O-N 3.14Å
866	E	93.5	Very high	94.3	Very high	104 Å²	104	61.1 Å²	61.1	49%	0.486	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-46	175.5	-168.8	-168.2	149.9	0	0	111.5	A862 Q863 L864 K870	A862-E866 WeakPolarHBondContact O-CB 3.41Å; A862-E866 PolarHBondContact O-N 3.04Å; Q863-E866 PolarHBondContact O-N 2.89Å; L864-E866 VanDerWaalsContact C-N 3.33Å; L864-E866 PolarHBondContact O-N 3.39Å; E866-K870 IonicContact OE1-NZ 3.47Å; E866-K870 PolarHBondContact OE1-NZ 3.07Å
867	I	92.9	Very high	94.4	Very high	12 Å²	12	59.9 Å²	59.9	6%	0.062	29%	0.288	C	S	.	.	H	α-helix	trans	-67.4	-43.9	178.4	-68.5	-170.5	0	0	0	111.1	L669 I690 L743 Q863 L864 R869 K870 F871	L669-I867 HydrophobicContact CD2-CG2 3.73Å; I690-I867 HydrophobicContact CD1-CD1 3.46Å; I690-I867 VanDerWaalsContact CD1-CD1 3.46Å; I690-I867 HydrophobicContact CD1-CG1 4.31Å; L743-I867 HydrophobicContact CD2-CD1 3.35Å; Q863-I867 PolarHBondContact O-N 3.25Å; Q863-I867 VanDerWaalsContact O-N 3.17Å; L864-I867 PolarHBondContact O-N 3.02Å; I867-R869 PolarHBondContact O-N 3.46Å; I867-K870 WeakPolarHBondContact O-CB 3.44Å; I867-K870 PolarHBondContact O-N 2.84Å; I867-F871 HydrophobicContact CG2-CD2 4.38Å; I867-F871 HydrophobicContact CG2-CE2 3.82Å; I867-F871 WeakPolarHBondContact O-CD2 3.47Å
868	L	94.5	Very high	94.5	Very high	30 Å²	30	51.7 Å²	51.7	16%	0.157	25%	0.25	C	S	.	.	H	α-helix	trans	-57.7	-37	180	-71.9	171.1	0	0	0	112.5	L864 E865 K870 F871 P877 S879	L864-L868 HydrophobicContact CD1-CD1 4.45Å; L864-L868 HydrophobicContact CD1-CG 4.4Å; L864-L868 HydrophobicContact CG-CD1 3.97Å; L864-L868 HydrophobicContact CG-CG 4.38Å; L864-L868 WeakPolarHBondContact O-CB 3.45Å; L864-L868 WeakPolarHBondContact O-CG 3.32Å; L864-L868 PolarHBondContact O-N 2.79Å; E865-L868 PolarHBondContact O-N 2.82Å; L868-K870 PolarHBondContact O-N 2.89Å; L868-F871 PolarHBondContact O-N 3.42Å; L868-P877 HydrophobicContact CD2-CB 3.55Å; L868-P877 HydrophobicContact CD2-CG 3.7Å; L868-S879 VanDerWaalsContact CD1-OG 3.29Å; L868-S879 WeakPolarHBondContact CD1-OG 3.3Å
869	R	94.6	Very high	94.6	Very high	198 Å²	198	50.1 Å²	50.1	75%	0.747	24%	0.243	S	C	*	.	H	α-helix	trans	-66.8	-21.5	177.4	-72.5	173.1	-168.3	160.3	5.5	113.9	E865 I867	E865-R869 WeakPolarHBondContact O-CG 3.1Å; E865-R869 PolarHBondContact O-N 3.48Å; E865-R869 VanDerWaalsContact O-N 3.14Å; I867-R869 PolarHBondContact O-N 3.46Å
870	K	94.4	Very high	94.8	Very high	69 Å²	69	47.4 Å²	47.4	30%	0.3	23%	0.232	S	C	.	.	H	α-helix	trans	-85.3	-10.7	178.6	-61.8	173.8	-174.5	169.1	0	112.6	I707 E709 E866 I867 L868	I707-K870 HydrophobicContact CD1-CB 4Å; I707-K870 HydrophobicContact CG1-CB 3.93Å; E709-K870 IonicContact OE1-NZ 3.92Å; E709-K870 PolarHBondContact OE1-NZ 3.21Å; E866-K870 IonicContact OE1-NZ 3.47Å; E866-K870 PolarHBondContact OE1-NZ 3.07Å; I867-K870 WeakPolarHBondContact O-CB 3.44Å; I867-K870 PolarHBondContact O-N 2.84Å; L868-K870 PolarHBondContact O-N 2.89Å
871	F	94.9	Very high	95	Very high	22 Å²	22	40.9 Å²	40.9	10%	0.096	21%	0.208	C	C	.	.	S	Bend	trans	-68.8	139.8	179.2	-90.2	-96.6	0	0	0	112.5	I667 L669 I703 I707 I867 L868 A875 P877	I667-F871 HydrophobicContact CD1-CE1 4.23Å; I667-F871 HydrophobicContact CD1-CZ 4.27Å; I667-F871 HydrophobicContact CG2-CD1 4.44Å; I667-F871 HydrophobicContact CG2-CE1 3.71Å; I667-F871 HydrophobicContact CG2-CZ 4.23Å; L669-F871 HydrophobicContact CD1-CE2 4.14Å; L669-F871 HydrophobicContact CD1-CZ 3.9Å; L669-F871 HydrophobicContact CD2-CE2 3.69Å; L669-F871 HydrophobicContact CD2-CZ 4.06Å; I703-F871 HydrophobicContact CD1-CE1 3.85Å; I703-F871 HydrophobicContact CG1-CE1 4.26Å; I703-F871 HydrophobicContact CG2-CD1 4.27Å; I703-F871 HydrophobicContact CG2-CE1 3.66Å; I703-F871 HydrophobicContact CG2-CZ 3.98Å; I707-F871 HydrophobicContact CD1-CD1 4.3Å; I707-F871 HydrophobicContact CD1-CD2 3.42Å; I707-F871 VanDerWaalsContact CD1-CD2 3.42Å; I707-F871 HydrophobicContact CD1-CE1 4.34Å; I707-F871 HydrophobicContact CD1-CE2 3.47Å; I707-F871 VanDerWaalsContact CD1-CE2 3.47Å; I707-F871 HydrophobicContact CD1-CG 3.86Å; I707-F871 HydrophobicContact CD1-CZ 3.96Å; I867-F871 HydrophobicContact CG2-CD2 4.38Å; I867-F871 HydrophobicContact CG2-CE2 3.82Å; I867-F871 WeakPolarHBondContact O-CD2 3.47Å; L868-F871 PolarHBondContact O-N 3.42Å; F871-A875 HydrophobicContact CD1-CB 3.75Å; F871-P877 HydrophobicContact CB-CG 4.11Å; F871-P877 HydrophobicContact CD1-CB 4.32Å; F871-P877 HydrophobicContact CD1-CG 4.31Å; F871-P877 HydrophobicContact CD2-CB 4.39Å; F871-P877 HydrophobicContact CD2-CG 4.36Å; F871-P877 HydrophobicContact CE1-CB 4.48Å; F871-P877 HydrophobicContact CG-CB 4.28Å; F871-P877 HydrophobicContact CG-CG 3.99Å
872	P	95	Very high	95.1	Very high	15 Å²	15	39.5 Å²	39.5	10%	0.097	20%	0.2	C	C	.	.			trans	-63.6	155.8	174.4	18.3	-25.7	0	0	0	112.4	W874 A875	P872-W874 HydrophobicContact CB-CD2 3.8Å; P872-W874 VanDerWaalsContact CB-CE2 3.42Å; P872-W874 HydrophobicContact CB-CG 3.95Å; P872-W874 HydrophobicContact CB-CZ2 3.94Å; P872-W874 VanDerWaalsContact CB-NE1 3.34Å; P872-W874 HydrophobicContact CG-CD2 3.7Å; P872-W874 HydrophobicContact CG-CE3 4.06Å; P872-W874 HydrophobicContact CG-CG 4.37Å; P872-W874 HydrophobicContact CG-CH2 3.67Å; P872-W874 HydrophobicContact CG-CZ2 3.32Å; P872-W874 HydrophobicContact CG-CZ3 4.03Å; P872-W874 PolarHBondContact O-N 2.84Å; P872-W874 VanDerWaalsContact O-N 3.17Å; P872-A875 HydrophobicContact CG-CB 3.95Å; P872-A875 PolarHBondContact O-N 2.88Å
873	T	94.8	Very high	95.2	Very high	100 Å²	100	36.6 Å²	36.6	61%	0.613	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.2	176.3	57.6	0	0	0	0	113.9	Y338 A875	Y338-T873 PolarHBondContact OH-O 2.58Å; T873-A875 VanDerWaalsContact C-N 3.29Å
874	W	95.4	Very high	95.4	Very high	27 Å²	27	33.2 Å²	33.2	10%	0.102	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.8	175.7	57.2	-109.3	0	0	0	113.8	F653 Y655 G657 P664 K665 H702 I703 Q706 P872	F653-W874 AromaticContact CE1-CD1 3.97Å; F653-W874 AromaticContact CE1-CD2 3.94Å; F653-W874 HydrophobicContact CE1-CD2 3.94Å; F653-W874 AromaticContact CE1-CE2 3.93Å; F653-W874 AromaticContact CE1-CG 3.99Å; F653-W874 HydrophobicContact CE1-CG 3.99Å; F653-W874 AromaticContact CE1-NE1 3.91Å; F653-W874 AromaticContact CZ-CD2 3.84Å; F653-W874 HydrophobicContact CZ-CD2 3.84Å; F653-W874 AromaticContact CZ-CE2 3.54Å; F653-W874 HydrophobicContact CZ-CE3 4.2Å; F653-W874 HydrophobicContact CZ-CG 4.37Å; F653-W874 HydrophobicContact CZ-CH2 4.14Å; F653-W874 AromaticContact CZ-CZ2 3.69Å; F653-W874 HydrophobicContact CZ-CZ2 3.69Å; F653-W874 HydrophobicContact CZ-CZ3 4.36Å; F653-W874 AromaticContact CZ-NE1 3.87Å; Y655-W874 AromaticContact CD2-CE3 3.79Å; Y655-W874 HydrophobicContact CD2-CE3 3.79Å; Y655-W874 AromaticContact CD2-CZ3 3.77Å; Y655-W874 HydrophobicContact CD2-CZ3 3.77Å; Y655-W874 HydrophobicContact CE2-CZ3 4.33Å; Y655-W874 AromaticContact CG-CE3 3.94Å; Y655-W874 HydrophobicContact CG-CE3 3.94Å; Y655-W874 HydrophobicContact CG-CZ3 4.34Å; G657-W874 VanDerWaalsContact N-CB 3.33Å; P664-W874 VanDerWaalsContact CA-O 3.26Å; P664-W874 WeakPolarHBondContact CA-O 3.37Å; K665-W874 HydrophobicContact CB-CE3 3.92Å; K665-W874 HydrophobicContact CB-CZ3 3.75Å; K665-W874 HydrophobicContact CD-CZ3 3.79Å; K665-W874 HydrophobicContact CG-CZ3 4.35Å; K665-W874 PolarHBondContact N-O 3.34Å; H702-W874 HydrophobicContact CB-CH2 3.73Å; H702-W874 HydrophobicContact CB-CZ2 4.37Å; H702-W874 HydrophobicContact CB-CZ3 4.43Å; H702-W874 WeakPolarHBondContact O-CH2 3.36Å; I703-W874 HydrophobicContact CG1-CH2 4.1Å; I703-W874 HydrophobicContact CG1-CZ3 4.42Å; Q706-W874 VanDerWaalsContact NE2-CZ2 3.27Å; P872-W874 HydrophobicContact CB-CD2 3.8Å; P872-W874 VanDerWaalsContact CB-CE2 3.42Å; P872-W874 HydrophobicContact CB-CG 3.95Å; P872-W874 HydrophobicContact CB-CZ2 3.94Å; P872-W874 VanDerWaalsContact CB-NE1 3.34Å; P872-W874 HydrophobicContact CG-CD2 3.7Å; P872-W874 HydrophobicContact CG-CE3 4.06Å; P872-W874 HydrophobicContact CG-CG 4.37Å; P872-W874 HydrophobicContact CG-CH2 3.67Å; P872-W874 HydrophobicContact CG-CZ2 3.32Å; P872-W874 HydrophobicContact CG-CZ3 4.03Å; P872-W874 PolarHBondContact O-N 2.84Å; P872-W874 VanDerWaalsContact O-N 3.17Å
875	A	95.7	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	148.4	172.7	0	0	0	0	0	111.2	F871 P872 T873	F871-A875 HydrophobicContact CD1-CB 3.75Å; P872-A875 HydrophobicContact CG-CB 3.95Å; P872-A875 PolarHBondContact O-N 2.88Å; T873-A875 VanDerWaalsContact C-N 3.29Å
876	F	95.4	Very high	95.6	Very high	13 Å²	13	32 Å²	32	6%	0.057	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	92.7	168.6	176.6	-118.9	0	0	0	108.8	N192 H335 T336 K337 P664 K665 I667 S878	N192-F876 HydrophobicContact CB-CE2 4.36Å; N192-F876 HydrophobicContact CB-CZ 3.97Å; H335-F876 VanDerWaalsContact O-CE1 3.28Å; H335-F876 WeakPolarHBondContact O-CE1 3.46Å; T336-F876 VanDerWaalsContact CA-CE1 3.48Å; T336-F876 HydrophobicContact CG2-CD1 3.76Å; T336-F876 HydrophobicContact CG2-CE1 4.26Å; T336-F876 HydrophobicContact CG2-CG 4.31Å; K337-F876 HydrophobicContact CB-CD2 3.92Å; K337-F876 HydrophobicContact CB-CE2 3.66Å; K337-F876 HydrophobicContact CD-CD2 3.94Å; K337-F876 HydrophobicContact CD-CE2 4.4Å; K337-F876 HydrophobicContact CG-CD2 3.7Å; K337-F876 HydrophobicContact CG-CE2 4Å; K337-F876 VanDerWaalsContact N-CE2 3.33Å; P664-F876 HydrophobicContact CB-CB 3.9Å; K665-F876 PolarHBondContact O-N 3.46Å; I667-F876 PolarHBondContact N-O 3.13Å; F876-S878 PolarHBondContact O-N 2.92Å
877	P	94.9	Very high	95.7	Very high	23 Å²	23	28.8 Å²	28.8	15%	0.149	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	108	169.4	30.9	-30.9	0	0	0	109.7	I667 L669 L868 F871	I667-P877 HydrophobicContact CG2-CB 3.98Å; I667-P877 CarbonylContact O-C 3.25Å; I667-P877 WeakPolarHBondContact O-CA 3.43Å; L669-P877 HydrophobicContact CD1-CB 3.59Å; L868-P877 HydrophobicContact CD2-CB 3.55Å; L868-P877 HydrophobicContact CD2-CG 3.7Å; F871-P877 HydrophobicContact CB-CG 4.11Å; F871-P877 HydrophobicContact CD1-CB 4.32Å; F871-P877 HydrophobicContact CD1-CG 4.31Å; F871-P877 HydrophobicContact CD2-CB 4.39Å; F871-P877 HydrophobicContact CD2-CG 4.36Å; F871-P877 HydrophobicContact CE1-CB 4.48Å; F871-P877 HydrophobicContact CG-CB 4.28Å; F871-P877 HydrophobicContact CG-CG 3.99Å
878	S	94.7	Very high	95.7	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.042	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	136.7	163.1	176.1	0	0	0	0	108	N192 I667 F668 L669 F876	N192-S878 PolarHBondContact OD1-OG 3.23Å; I667-S878 PolarHBondContact O-N 3.45Å; F668-S878 CarbonylContact C-O 3.47Å; F668-S878 VanDerWaalsContact CA-O 3.26Å; F668-S878 WeakPolarHBondContact CA-O 3.41Å; L669-S878 PolarHBondContact N-O 2.87Å; F876-S878 PolarHBondContact O-N 2.92Å
879	S	95.8	Very high	95.5	Very high	13 Å²	13	31.8 Å²	31.8	9%	0.091	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	142.2	-165.2	64.7	0	0	0	0	114	N192 L669 L868	N192-S879 PolarHBondContact OD1-N 2.87Å; N192-S879 PolarHBondContact OD1-O 3.46Å; L669-S879 WeakPolarHBondContact O-CA 3.25Å; L669-S879 WeakPolarHBondContact O-CB 3.29Å; L868-S879 VanDerWaalsContact CD1-OG 3.29Å; L868-S879 WeakPolarHBondContact CD1-OG 3.3Å
880	W	97.3	Very high	95.6	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.015	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	174.3	178.7	59.6	95.3	0	0	0	111	F668 L669 Q670 H671 H852 Y853 F854	F668-W880 HydrophobicContact CB-CH2 4.1Å; F668-W880 HydrophobicContact CB-CZ3 4.29Å; F668-W880 HydrophobicContact CD1-CH2 4.46Å; F668-W880 HydrophobicContact CD1-CZ3 4.29Å; F668-W880 AromaticContact CD2-CH2 3.51Å; F668-W880 HydrophobicContact CD2-CH2 3.51Å; F668-W880 HydrophobicContact CD2-CZ3 4.14Å; F668-W880 AromaticContact CE2-CH2 3.97Å; F668-W880 HydrophobicContact CE2-CH2 3.97Å; F668-W880 AromaticContact CG-CH2 3.8Å; F668-W880 HydrophobicContact CG-CH2 3.8Å; F668-W880 AromaticContact CG-CZ3 4Å; F668-W880 HydrophobicContact CG-CZ3 4Å; L669-W880 PolarHBondContact O-N 3.35Å; L669-W880 VanDerWaalsContact O-N 3.16Å; Q670-W880 WeakPolarHBondContact CA-O 3.42Å; Q670-W880 VanDerWaalsContact CD-CE2 3.42Å; Q670-W880 HydrophobicContact CG-CD2 4.14Å; Q670-W880 VanDerWaalsContact CG-CE2 3.47Å; Q670-W880 HydrophobicContact CG-CH2 4.21Å; Q670-W880 HydrophobicContact CG-CZ2 3.52Å; Q670-W880 VanDerWaalsContact OE1-CE2 3.32Å; H671-W880 PolarHBondContact N-O 2.95Å; H852-W880 AromaticContact ND1-NE1 3.45Å; H852-W880 PolarHBondContact ND1-NE1 2.94Å; Y853-W880 WeakPolarHBondContact O-CB 3.46Å; F854-W880 HydrophobicContact CD1-CB 4.09Å; F854-W880 AromaticContact CD1-CD2 3.82Å; F854-W880 HydrophobicContact CD1-CD2 3.82Å; F854-W880 HydrophobicContact CD1-CE3 4.16Å; F854-W880 AromaticContact CD1-CG 3.78Å; F854-W880 HydrophobicContact CD1-CG 3.78Å; F854-W880 AromaticContact CE1-CD2 3.5Å; F854-W880 HydrophobicContact CE1-CD2 3.5Å; F854-W880 AromaticContact CE1-CE2 3.53Å; F854-W880 AromaticContact CE1-CE3 3.89Å; F854-W880 HydrophobicContact CE1-CE3 3.89Å; F854-W880 AromaticContact CE1-CG 3.83Å; F854-W880 HydrophobicContact CE1-CG 3.83Å; F854-W880 HydrophobicContact CE1-CH2 4.29Å; F854-W880 AromaticContact CE1-CZ2 3.94Å; F854-W880 HydrophobicContact CE1-CZ2 3.94Å; F854-W880 HydrophobicContact CE1-CZ3 4.28Å; F854-W880 AromaticContact CE1-NE1 3.9Å
881	V	97.6	Very high	95.6	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	144.5	170.9	170.6	0	0	0	0	109.1	H671 V748 P750 Y853 D858 R859 T861	H671-V881 HydrophobicContact CB-CG2 4.39Å; H671-V881 WeakPolarHBondContact O-CA 3.37Å; V748-V881 HydrophobicContact CB-CG1 3.91Å; V748-V881 HydrophobicContact CG1-CG1 4.13Å; V748-V881 HydrophobicContact CG2-CG1 3.87Å; P750-V881 HydrophobicContact CG-CG1 4.1Å; Y853-V881 HydrophobicContact CD2-CB 4.39Å; Y853-V881 HydrophobicContact CD2-CG1 4.13Å; Y853-V881 WeakPolarHBondContact CD2-O 3.2Å; Y853-V881 PolarHBondContact N-O 3.06Å; D858-V881 WeakPolarHBondContact O-CB 3.48Å; D858-V881 VanDerWaalsContact O-CG2 3.24Å; D858-V881 WeakPolarHBondContact O-CG2 3.41Å; R859-V881 PolarHBondContact O-N 2.85Å; T861-V881 HydrophobicContact CG2-CG2 3.71Å
882	S	97.6	Very high	95.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.9	175.9	58.9	0	0	0	0	112.6	H671 T672 T673 P728 T851	H671-S882 PolarHBondContact O-N 3.4Å; T672-S882 VanDerWaalsContact CA-O 3.25Å; T672-S882 WeakPolarHBondContact CA-O 3.27Å; T672-S882 WeakPolarHBondContact CB-OG 3.24Å; T672-S882 PolarHBondContact OG1-O 3.41Å; T672-S882 PolarHBondContact OG1-OG 3.41Å; T672-S882 VanDerWaalsContact OG1-OG 3.07Å; T673-S882 PolarHBondContact N-O 3.15Å; P728-S882 WeakPolarHBondContact CG-OG 3.42Å; T851-S882 WeakPolarHBondContact O-CA 3.47Å; T851-S882 WeakPolarHBondContact O-CB 3.14Å
883	T	97.4	Very high	95.7	Very high	15 Å²	15	21.4 Å²	21.4	9%	0.092	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	160.3	163.6	74.7	0	0	0	0	110.2	T673 V748 P750 S850 T851 Y853 D885	T673-T883 WeakPolarHBondContact O-CA 3.14Å; V748-T883 HydrophobicContact CG2-CG2 4.49Å; P750-T883 HydrophobicContact CG-CG2 4.42Å; S850-T883 WeakPolarHBondContact CA-O 3.44Å; S850-T883 WeakPolarHBondContact CB-O 3.49Å; T851-T883 PolarHBondContact N-O 2.68Å; T851-T883 VanDerWaalsContact N-O 3.08Å; T851-T883 PolarHBondContact O-N 3.43Å; T851-T883 VanDerWaalsContact O-N 3.16Å; T851-T883 PolarHBondContact OG1-N 3.19Å; T851-T883 PolarHBondContact OG1-OG1 3.38Å; Y853-T883 HydrophobicContact CE2-CG2 4.45Å; T883-D885 PolarHBondContact OG1-OD2 3.38Å
884	Y	97.6	Very high	95.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	118.6	171.6	177.5	-83.1	0	0	0	108.6	T673 R674 T675 F676 P723 Y784 A848 I849 M886	T673-Y884 PolarHBondContact O-N 2.96Å; R674-Y884 CarbonylContact C-O 3.59Å; R674-Y884 VanDerWaalsContact CA-O 3.27Å; R674-Y884 WeakPolarHBondContact CA-O 3.24Å; R674-Y884 HydrophobicContact CB-CD1 4.47Å; T675-Y884 PolarHBondContact N-O 3Å; F676-Y884 HydrophobicContact CD1-CE1 4.4Å; F676-Y884 HydrophobicContact CE1-CD1 4.13Å; F676-Y884 AromaticContact CE1-CE1 3.7Å; F676-Y884 HydrophobicContact CE1-CE1 3.7Å; F676-Y884 HydrophobicContact CZ-CD1 4.36Å; F676-Y884 HydrophobicContact CZ-CE1 4.33Å; P723-Y884 PolarHBondContact O-OH 2.9Å; Y784-Y884 AromaticContact CD2-CE2 3.94Å; Y784-Y884 HydrophobicContact CD2-CE2 3.94Å; Y784-Y884 HydrophobicContact CE2-CD2 4.08Å; Y784-Y884 AromaticContact CE2-CE2 3.86Å; Y784-Y884 HydrophobicContact CE2-CE2 3.86Å; A848-Y884 HydrophobicContact CB-CE1 4.12Å; A848-Y884 HydrophobicContact CB-CE2 3.74Å; A848-Y884 VanDerWaalsContact CB-CZ 3.42Å; A848-Y884 WeakPolarHBondContact CB-OH 3.37Å; I849-Y884 WeakPolarHBondContact O-CA 3.45Å; Y884-M886 HydrophobicContact CE1-CB 3.66Å
885	D	97.3	Very high	95.8	Very high	17 Å²	17	15.7 Å²	15.7	9%	0.091	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116.7	-176.2	-62.4	-85.1	0	0	0	108.8	T675 A848 I849 T883 Y887	T675-D885 WeakPolarHBondContact CB-OD1 3.5Å; T675-D885 WeakPolarHBondContact O-CA 3.34Å; T675-D885 PolarHBondContact OG1-OD1 3.48Å; A848-D885 CarbonylContact C-O 3.22Å; A848-D885 VanDerWaalsContact CA-O 3.23Å; A848-D885 WeakPolarHBondContact CA-O 3.49Å; I849-D885 HydrophobicContact CG2-CB 4.02Å; I849-D885 PolarHBondContact N-O 2.86Å; I849-D885 PolarHBondContact O-N 2.9Å; T883-D885 PolarHBondContact OG1-OD2 3.38Å; D885-Y887 HydrophobicContact CB-CE2 3.94Å
886	M	96.6	Very high	95.8	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.02	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.8	-176.1	171.6	-175.5	168.6	0	0	111.6	T675 F676 H677 R722 S846 V847 A848 Y884 R888	T675-M886 PolarHBondContact O-N 3.38Å; F676-M886 HydrophobicContact CD1-CB 4.01Å; F676-M886 HydrophobicContact CD1-CG 4.45Å; F676-M886 HydrophobicContact CD1-SD 3.8Å; F676-M886 HydrophobicContact CE1-SD 4.24Å; H677-M886 WeakPolarHBondContact CB-O 3.48Å; H677-M886 PolarHBondContact CD2-O 3.45Å; H677-M886 PolarHBondContact N-O 3.28Å; R722-M886 HydrophobicContact CB-SD 4.08Å; R722-M886 HydrophobicContact CG-CE 4.39Å; R722-M886 HydrophobicContact CG-SD 4.03Å; S846-M886 VanDerWaalsContact OG-CE 3.32Å; S846-M886 WeakPolarHBondContact OG-CE 3.41Å; V847-M886 CarbonylContact O-C 3.49Å; V847-M886 WeakPolarHBondContact O-CA 3.43Å; A848-M886 HydrophobicContact CB-CB 3.99Å; A848-M886 HydrophobicContact CB-CG 4.4Å; Y884-M886 HydrophobicContact CE1-CB 3.66Å; M886-R888 HydrophobicContact CE-CG 4.28Å
887	Y	95.6	Very high	95.9	Very high	36 Å²	36	17.2 Å²	17.2	14%	0.141	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.4	-179.5	-57.2	-95.1	0	0	0	110.4	H677 F756 S846 V847 D885 Y889	H677-Y887 HydrophobicContact CB-CD1 3.75Å; H677-Y887 HydrophobicContact CB-CE1 4.13Å; H677-Y887 HydrophobicContact CB-CG 4.38Å; H677-Y887 AromaticContact CD2-CD1 3.95Å; H677-Y887 AromaticContact CD2-CE1 3.58Å; H677-Y887 AromaticContact CD2-CZ 3.78Å; H677-Y887 AromaticContact CE1-CE1 3.86Å; H677-Y887 AromaticContact CG-CD1 3.73Å; H677-Y887 AromaticContact CG-CE1 3.58Å; H677-Y887 AromaticContact ND1-CE1 3.75Å; H677-Y887 AromaticContact NE2-CE1 3.81Å; H677-Y887 AromaticContact NE2-CZ 3.79Å; F756-Y887 AromaticContact CD1-CD2 3.65Å; F756-Y887 HydrophobicContact CD1-CD2 3.65Å; F756-Y887 AromaticContact CD1-CE2 3.32Å; F756-Y887 HydrophobicContact CD1-CE2 3.32Å; F756-Y887 HydrophobicContact CD1-CG 4.45Å; F756-Y887 AromaticContact CD1-CZ 3.87Å; F756-Y887 AromaticContact CE1-CD2 3.63Å; F756-Y887 HydrophobicContact CE1-CD2 3.63Å; F756-Y887 AromaticContact CE1-CE2 3.83Å; F756-Y887 HydrophobicContact CE1-CE2 3.83Å; F756-Y887 HydrophobicContact CE1-CG 4.28Å; F756-Y887 HydrophobicContact CG-CE2 4.21Å; S846-Y887 WeakPolarHBondContact CA-O 3.4Å; V847-Y887 PolarHBondContact N-O 3.45Å; V847-Y887 PolarHBondContact O-N 3.36Å; D885-Y887 HydrophobicContact CB-CE2 3.94Å; Y887-Y889 HydrophobicContact CG-CE2 4.47Å
888	R	93.1	Very high	95.9	Very high	56 Å²	56	16.7 Å²	16.7	21%	0.211	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.3	173	-65.1	-178.7	175.6	135.5	-6.1	109.6	L679 E684 M886	L679-R888 HydrophobicContact CD2-CB 3.68Å; L679-R888 HydrophobicContact CG-CB 4.29Å; E684-R888 IonicContact OE2-NH1 3.48Å; E684-R888 PolarHBondContact OE2-NH1 3.32Å; M886-R888 HydrophobicContact CE-CG 4.28Å
889	Y	90.8	Very high	96	Very high	48 Å²	48	17.6 Å²	17.6	19%	0.188	8%	0.078	C	C	.	.			trans	-131.3	0	-173.3	-68.6	-68.4	0	0	0	116.3	L758 K761 M771 F773 G843 M844 I845 V847 Y887	L758-Y889 HydrophobicContact CB-CE1 4.18Å; L758-Y889 HydrophobicContact CD2-CD1 3.98Å; L758-Y889 HydrophobicContact CD2-CE1 3.72Å; L758-Y889 HydrophobicContact CG-CE1 4.47Å; K761-Y889 PolarHBondContact NZ-OXT 2.91Å; M771-Y889 HydrophobicContact SD-CG 4.31Å; F773-Y889 HydrophobicContact CE1-CD2 4.42Å; F773-Y889 AromaticContact CE1-CE2 3.6Å; F773-Y889 HydrophobicContact CE1-CE2 3.6Å; F773-Y889 AromaticContact CE1-CZ 3.76Å; F773-Y889 HydrophobicContact CZ-CD2 4.16Å; F773-Y889 AromaticContact CZ-CE2 3.78Å; F773-Y889 HydrophobicContact CZ-CE2 3.78Å; G843-Y889 CarbonylContact C-O 3.58Å; G843-Y889 VanDerWaalsContact CA-O 3.25Å; G843-Y889 WeakPolarHBondContact CA-O 3.32Å; M844-Y889 PolarHBondContact N-O 3.32Å; I845-Y889 PolarHBondContact O-N 3.02Å; V847-Y889 HydrophobicContact CB-CD2 4.26Å; V847-Y889 HydrophobicContact CB-CE2 4.08Å; V847-Y889 HydrophobicContact CG2-CD2 3.82Å; V847-Y889 HydrophobicContact CG2-CE2 4.07Å; Y887-Y889 HydrophobicContact CG-CE2 4.47Å

Retrieved 889 of 889 residues in 846.6 ms (Link to these results)

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