A0A087YDG2_POEFO Loading...

DENN/MADD domain containing 6B

AlphaFold DB , UniProt , Accession A0A087YDG2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 600 aa.

Structure Viewer

Loading PAE data...

(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	37.4	Very low	29.6	Very low	245 Å²	245	153.5 Å²	153.5	100%	1.207	87%	0.87	S	S	*	*				0	87.5	0	-74.1	177.8	-131.3	0	0	106.6
2	G	29.4	Very low	29.3	Very low	80 Å²	80	148.1 Å²	148.1	83%	0.825	86%	0.859	S	S	*	*			trans	-89.1	131.4	-177.1	0	0	0	0	0	109.9
3	L	29.1	Very low	29.2	Very low	173 Å²	173	146.6 Å²	146.6	91%	0.906	86%	0.857	S	S	*	*			trans	-94.9	115.9	171.5	-79.4	155.5	0	0	0	107.6
4	D	28.8	Very low	29	Very low	158 Å²	158	149.4 Å²	149.4	85%	0.845	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-71.8	139.8	168.6	-74.8	-37.6	0	0	0	110.3
5	P	33	Very low	28.8	Very low	114 Å²	114	148.7 Å²	148.7	74%	0.74	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-85.2	156.3	170.4	32.6	-29.9	0	0	0	111.9
6	P	32.7	Very low	28.7	Very low	121 Å²	121	146.7 Å²	146.7	79%	0.786	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-84.8	147.8	-164.5	33.3	-33.8	0	0	0	114.2	Q8	P6-Q8 PolarHBondContact O-N 3.46Å
7	L	27.8	Very low	28.6	Very low	172 Å²	172	149.3 Å²	149.3	90%	0.901	85%	0.854	S	S	*	*			trans	-54.6	112.3	167.3	-76.4	150.7	0	0	0	111.4
8	Q	27.8	Very low	28.5	Very low	170 Å²	170	150.2 Å²	150.2	79%	0.794	85%	0.854	S	S	*	*			trans	-86.4	111.1	165.7	-78.8	-179.1	-12	0	0	109.9	P6 L10	P6-Q8 PolarHBondContact O-N 3.46Å; Q8-L10 PolarHBondContact O-N 3.28Å
9	L	27	Very low	28.2	Very low	169 Å²	169	151.1 Å²	151.1	89%	0.885	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-68.3	116.9	157.6	-98	91.3	0	0	0	108
10	L	26.8	Very low	28.1	Very low	162 Å²	162	152 Å²	152	85%	0.848	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-97.7	129.8	167	-84.3	162.1	0	0	0	110.6	Q8	Q8-L10 PolarHBondContact O-N 3.28Å
11	C	25.4	Very low	27.9	Very low	124 Å²	124	150.2 Å²	150.2	84%	0.838	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-62.2	149.9	-177	-72.2	0	0	0	0	113.1
12	A	26.1	Very low	27.3	Very low	89 Å²	89	141.9 Å²	141.9	74%	0.736	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-61.7	141.6	166.9	0	0	0	0	0	111.4
13	P	28.7	Very low	27.1	Very low	129 Å²	129	146.3 Å²	146.3	84%	0.838	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-80.2	134.5	166.5	25.5	-20.7	0	0	0	111
14	Q	25.6	Very low	27.2	Very low	186 Å²	186	143.4 Å²	143.4	87%	0.869	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-68.7	141	176.1	-65.6	167.6	-21.9	0	0	110.7
15	T	26.2	Very low	27	Very low	138 Å²	138	142.5 Å²	142.5	85%	0.847	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69.3	128.9	168.7	31.3	0	0	0	0	111.2
16	P	28.2	Very low	26.7	Very low	117 Å²	117	145.6 Å²	145.6	76%	0.76	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-84.2	126.9	166.7	27.9	-23.2	0	0	0	111
17	Q	25.6	Very low	26.5	Very low	191 Å²	191	144.3 Å²	144.3	89%	0.893	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-68.6	126.8	164.6	-71.6	171.8	-25.5	0	0	108.9
18	L	26.9	Very low	26.5	Very low	165 Å²	165	142.2 Å²	142.2	86%	0.864	82%	0.822	S	S	*	*			trans	-101.4	113.4	170.1	-95.5	154.6	0	0	0	109.6
19	L	23.8	Very low	26.4	Very low	168 Å²	168	139.1 Å²	139.1	88%	0.88	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-64.5	127.4	165.8	-81.8	132.9	0	0	0	109.8
20	I	26.3	Very low	26.4	Very low	169 Å²	169	135.9 Å²	135.9	87%	0.867	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-97.4	118	168	-61.5	175.3	0	0	0	107.2
21	S	24.1	Very low	26.2	Very low	115 Å²	115	137 Å²	137	80%	0.804	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-101.9	146.1	167.8	49.4	0	0	0	0	108.9
22	G	23.4	Very low	26.2	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-85.5	159.4	-160.6	0	0	0	0	0	118
23	E	26.1	Very low	26.3	Very low	173 Å²	173	139.4 Å²	139.4	81%	0.808	82%	0.824	S	S	*	*			trans	57.7	154.4	136.7	-80.8	-170.2	-170.3	0	0	121.1
24	P	30.5	Very low	26.3	Very low	111 Å²	111	141.4 Å²	141.4	72%	0.721	83%	0.826	S	S	*	*			cis	-144.7	163.4	32.4	37.3	-14.8	0	0	0	119.7
25	N	24.5	Very low	26.4	Very low	139 Å²	139	140.8 Å²	140.8	74%	0.743	83%	0.829	S	S	*	*			trans	21.4	120.6	144.8	-70.9	-30	0	0	0	121.7
26	L	26.9	Very low	26.4	Very low	179 Å²	179	137.6 Å²	137.6	94%	0.937	82%	0.824	S	S	*	*			trans	-135.2	132	137.9	-101.3	113.2	0	0	0	110.4
27	A	28.5	Very low	26.4	Very low	94 Å²	94	142.8 Å²	142.8	78%	0.777	84%	0.835	S	S	*	*			trans	-77.2	167.8	-175.3	0	0	0	0	0	112.9
28	P	28	Very low	26.5	Very low	129 Å²	129	137 Å²	137	84%	0.838	83%	0.827	S	S	*	*			trans	-92.5	147.2	-158.8	36.1	-31.4	0	0	0	113.1
29	A	26.2	Very low	26.5	Very low	104 Å²	104	133.3 Å²	133.3	86%	0.86	82%	0.815	S	S	*	*			trans	-114.1	116.1	172.5	0	0	0	0	0	111.2
30	A	25.9	Very low	26.7	Very low	101 Å²	101	130 Å²	130	84%	0.835	80%	0.803	S	S	*	*			trans	22.8	121.6	152	0	0	0	0	0	120.5
31	M	24.3	Very low	27	Very low	187 Å²	187	131.8 Å²	131.8	92%	0.921	80%	0.799	S	S	*	*			trans	-71.1	137.8	151.8	-81.5	-162.8	-76.3	0	0	110.2
32	D	24.7	Very low	27.2	Very low	162 Å²	162	136.7 Å²	136.7	87%	0.866	80%	0.8	S	S	*	*			trans	-137.3	135.6	140.6	-119.5	-18.5	0	0	0	109.2
33	P	29.1	Very low	27.5	Very low	101 Å²	101	141.7 Å²	141.7	66%	0.656	81%	0.805	S	S	*	*			trans	-99.1	132.5	-173.6	35.8	-26.5	0	0	0	110.3
34	L	27.4	Very low	27.8	Very low	170 Å²	170	140 Å²	140	89%	0.89	80%	0.796	S	S	*	*			trans	168.2	99.3	150.4	-91.8	152	0	0	0	107.9
35	D	27	Very low	27.8	Very low	173 Å²	173	138 Å²	138	93%	0.925	79%	0.79	S	S	*	*			trans	-159.2	116	141.4	-106.5	-21.9	0	0	0	112.8
36	G	26.3	Very low	28	Very low	72 Å²	72	137.8 Å²	137.8	74%	0.742	79%	0.788	S	S	*	*			trans	30.9	112.5	145.7	0	0	0	0	0	121	G38	G36-G38 PolarHBondContact O-N 2.63Å
37	F	29.5	Very low	28.3	Very low	226 Å²	226	132.5 Å²	132.5	99%	0.991	77%	0.77	S	S	*	*			trans	-55.2	96.3	153.9	-85.1	-96.6	0	0	0	111.3
38	G	26.3	Very low	28.8	Very low	70 Å²	70	134.2 Å²	134.2	72%	0.722	77%	0.766	S	S	*	*			trans	-91.5	122.4	166	0	0	0	0	0	111.2	G36	G36-G38 PolarHBondContact O-N 2.63Å
39	S	27.6	Very low	29.1	Very low	86 Å²	86	133 Å²	133	60%	0.601	76%	0.76	S	S	*	*			trans	-56.5	132.9	179.4	-179.5	0	0	0	0	113.7	R41	S39-R41 PolarHBondContact O-N 3.45Å; S39-R41 PolarHBondContact OG-N 2.88Å
40	P	28	Very low	29.8	Very low	98 Å²	98	138.7 Å²	138.7	64%	0.636	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-75.1	-0.6	175.2	10.4	-1.4	0	0	0	114.3	R42	P40-R42 VanDerWaalsContact C-N 3.28Å; P40-R42 PolarHBondContact O-N 2.86Å; P40-R42 VanDerWaalsContact O-N 3.15Å
41	R	33.6	Very low	31.2	Very low	207 Å²	207	136.1 Å²	136.1	78%	0.781	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-76.4	-3.4	-165.1	-72.2	-175.3	171.9	179.2	-2.3	115.9	S39	S39-R41 PolarHBondContact O-N 3.45Å; S39-R41 PolarHBondContact OG-N 2.88Å
42	R	27.6	Very low	33	Very low	218 Å²	218	129.9 Å²	129.9	82%	0.823	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-108.3	-18.3	-173.5	-139.9	175.2	-176	-179.8	0.1	114.8	P40	P40-R42 VanDerWaalsContact C-N 3.28Å; P40-R42 PolarHBondContact O-N 2.86Å; P40-R42 VanDerWaalsContact O-N 3.15Å
43	E	28.7	Very low	35.6	Very low	176 Å²	176	124.3 Å²	124.3	82%	0.822	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-26.7	171.3	-77.9	-177.1	156.9	0	0	112.5	A45	E43-A45 VanDerWaalsContact C-N 3.35Å; E43-A45 PolarHBondContact O-N 3.49Å
44	E	33.5	Very low	38.1	Very low	136 Å²	136	123.7 Å²	123.7	64%	0.636	68%	0.681	S	S	*	*	H	α-helix	trans	-68.4	-31.2	174.7	-72.5	179.4	156.5	0	0	112.8	L46 A47	E44-L46 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 2.79Å; E44-A47 PolarHBondContact O-N 3.37Å
45	A	29.6	Very low	41	Very low	71 Å²	71	121.5 Å²	121.5	59%	0.587	66%	0.661	S	S	*	*	H	α-helix	trans	-76	-17.6	-177.9	0	0	0	0	0	114.3	E43	E43-A45 VanDerWaalsContact C-N 3.35Å; E43-A45 PolarHBondContact O-N 3.49Å
46	L	28.6	Very low	44.1	Very low	134 Å²	134	113.3 Å²	113.3	70%	0.702	62%	0.617	S	S	*	*	H	α-helix	trans	-96.3	-13.8	175.5	-79.8	156.2	0	0	0	112.6	E44	E44-L46 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 2.79Å
47	A	33.6	Very low	47.2	Very low	67 Å²	67	112.6 Å²	112.6	55%	0.554	60%	0.6	S	S	*	*	H	α-helix	trans	-81.2	-24.2	172.6	0	0	0	0	0	112.7	E44 S49 R50	E44-A47 PolarHBondContact O-N 3.37Å; A47-S49 VanDerWaalsContact C-N 3.27Å; A47-S49 PolarHBondContact O-N 2.84Å; A47-R50 PolarHBondContact O-N 2.94Å
48	D	38.7	Very low	50.1	Low	131 Å²	131	102.8 Å²	102.8	70%	0.701	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-12.2	-176.5	-121.4	5	0	0	0	114
49	S	35	Very low	53.3	Low	103 Å²	103	99.6 Å²	99.6	72%	0.72	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	3.4	179.1	88.5	0	0	0	0	114.2	A47	A47-S49 VanDerWaalsContact C-N 3.27Å; A47-S49 PolarHBondContact O-N 2.84Å
50	R	40.5	Very low	56.5	Low	223 Å²	223	95.6 Å²	95.6	84%	0.842	50%	0.498	S	S	*	.	S	Bend	trans	-114.4	-3.8	178.1	-76.1	-171.9	179.3	-171.5	0.4	114.7	A47 G52	A47-R50 PolarHBondContact O-N 2.94Å; R50-G52 VanDerWaalsContact C-N 3.26Å; R50-G52 PolarHBondContact O-N 3.08Å
51	S	55.1	Low	59.6	Low	48 Å²	48	92.8 Å²	92.8	34%	0.336	48%	0.476	S	S	.	.			trans	-80.8	74.5	173.1	55.6	0	0	0	0	110.3	W53	S51-W53 VanDerWaalsContact C-N 3.26Å; S51-W53 PolarHBondContact O-N 2.96Å
52	G	62.9	Low	62.5	Low	56 Å²	56	82.9 Å²	82.9	58%	0.577	44%	0.439	S	S	*	.			trans	-66.4	-18.4	-171	0	0	0	0	0	115.6	R50	R50-G52 VanDerWaalsContact C-N 3.26Å; R50-G52 PolarHBondContact O-N 3.08Å
53	W	79.7	Confident	65.9	Low	44 Å²	44	72.6 Å²	72.6	17%	0.167	40%	0.4	C	S	.	.			trans	-117.7	61.7	-169.8	-67.1	-46.1	0	0	0	114.5	S51 R55 F56 Y80 P81 E200 C203 N204 D207	S51-W53 VanDerWaalsContact C-N 3.26Å; S51-W53 PolarHBondContact O-N 2.96Å; W53-R55 PolarHBondContact O-N 3.36Å; W53-F56 HydrophobicContact CB-CB 3.76Å; W53-F56 HydrophobicContact CB-CG 4.46Å; W53-F56 HydrophobicContact CG-CB 4.49Å; W53-Y80 AromaticContact CH2-CD1 3.87Å; W53-Y80 HydrophobicContact CH2-CD1 3.87Å; W53-Y80 HydrophobicContact CH2-CE1 4.31Å; W53-Y80 HydrophobicContact CZ3-CD1 4.36Å; W53-P81 HydrophobicContact CB-CG 4.21Å; W53-P81 HydrophobicContact CD2-CB 4.4Å; W53-P81 HydrophobicContact CD2-CG 4.03Å; W53-P81 HydrophobicContact CE3-CB 3.27Å; W53-P81 HydrophobicContact CE3-CG 3.32Å; W53-P81 HydrophobicContact CG-CG 4.48Å; W53-P81 HydrophobicContact CZ3-CB 3.47Å; W53-P81 VanDerWaalsContact CZ3-CB 3.47Å; W53-P81 HydrophobicContact CZ3-CG 3.89Å; W53-E200 HydrophobicContact CZ2-CG 4.32Å; W53-C203 HydrophobicContact CZ2-CB 4.2Å; W53-N204 PolarHBondContact NE1-OD1 2.88Å; W53-D207 WeakPolarHBondContact CA-OD1 3.11Å; W53-D207 HydrophobicContact CB-CB 4.4Å; W53-D207 VanDerWaalsContact CD1-CB 3.44Å; W53-D207 HydrophobicContact CG-CB 4.22Å
54	T	81.5	Confident	69.1	Low	88 Å²	88	64.2 Å²	64.2	54%	0.54	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-35.1	-175.7	59.7	0	0	0	0	113.5	S57 D207	T54-S57 PolarHBondContact O-OG 3.48Å; T54-D207 PolarHBondContact N-OD1 3.39Å
55	R	88.6	Confident	72.2	Confident	124 Å²	124	57.8 Å²	57.8	47%	0.468	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-26.7	-177.2	-73.5	179.3	-178.2	179.3	4.7	112.3	W53 S57 S58 D207	W53-R55 PolarHBondContact O-N 3.36Å; R55-S57 PolarHBondContact O-N 2.94Å; R55-S58 WeakPolarHBondContact O-CB 3.47Å; R55-S58 PolarHBondContact O-N 3.27Å; R55-D207 WeakPolarHBondContact CA-OD1 3.33Å; R55-D207 WeakPolarHBondContact CB-O 3.3Å; R55-D207 WeakPolarHBondContact CB-OD1 3.2Å; R55-D207 VanDerWaalsContact CD-O 3.25Å; R55-D207 WeakPolarHBondContact CD-O 3.46Å; R55-D207 PolarHBondContact N-OD1 3.27Å
56	F	91.6	Very high	75.4	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.009	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-51	-45.2	170	180	-86.1	0	0	0	110.6	W53 S58 W59 L60 V63 P81 C203 I206 D207	W53-F56 HydrophobicContact CB-CB 3.76Å; W53-F56 HydrophobicContact CB-CG 4.46Å; W53-F56 HydrophobicContact CG-CB 4.49Å; F56-S58 PolarHBondContact O-N 2.99Å; F56-W59 PolarHBondContact O-N 2.89Å; F56-L60 HydrophobicContact CD1-CB 4.24Å; F56-L60 WeakPolarHBondContact CD1-O 3.42Å; F56-L60 HydrophobicContact CE1-CB 3.55Å; F56-L60 WeakPolarHBondContact CE1-O 3.2Å; F56-L60 HydrophobicContact CE2-CB 4.07Å; F56-L60 HydrophobicContact CE2-CD1 3.86Å; F56-L60 HydrophobicContact CZ-CB 3.46Å; F56-L60 VanDerWaalsContact CZ-CB 3.46Å; F56-L60 HydrophobicContact CZ-CD1 3.85Å; F56-L60 HydrophobicContact CZ-CG 4.29Å; F56-L60 PolarHBondContact O-N 2.94Å; F56-L60 VanDerWaalsContact O-O 3.11Å; F56-V63 HydrophobicContact CE2-CG2 4.34Å; F56-V63 HydrophobicContact CZ-CG2 4Å; F56-P81 HydrophobicContact CD1-CG 3.97Å; F56-P81 HydrophobicContact CE1-CG 4.08Å; F56-C203 HydrophobicContact CE2-CB 4.32Å; F56-I206 HydrophobicContact CD2-CB 4.14Å; F56-I206 HydrophobicContact CD2-CG2 3.74Å; F56-I206 HydrophobicContact CE2-CG2 4.15Å; F56-D207 HydrophobicContact CB-CB 4.15Å; F56-D207 PolarHBondContact N-OD1 2.88Å
57	S	90	Very high	78.5	Confident	56 Å²	56	49.4 Å²	49.4	39%	0.392	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-59.8	-17.4	178.7	77.1	0	0	0	0	114.5	T54 R55 W59 L60 K126	T54-S57 PolarHBondContact O-OG 3.48Å; R55-S57 PolarHBondContact O-N 2.94Å; S57-W59 VanDerWaalsContact C-N 3.33Å; S57-L60 WeakPolarHBondContact CA-O 3.45Å; S57-K126 PolarHBondContact OG-NZ 2.9Å
58	S	91.2	Very high	81.1	Confident	21 Å²	21	49.2 Å²	49.2	15%	0.147	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-75.3	-23.1	173.3	-65.9	0	0	0	0	112.7	R55 F56 R140 N211 P212	R55-S58 WeakPolarHBondContact O-CB 3.47Å; R55-S58 PolarHBondContact O-N 3.27Å; F56-S58 PolarHBondContact O-N 2.99Å; S58-R140 PolarHBondContact O-NH2 2.56Å; S58-N211 WeakPolarHBondContact CB-OD1 3.47Å; S58-N211 PolarHBondContact OG-OD1 2.86Å; S58-P212 WeakPolarHBondContact O-CG 3.44Å
59	W	94.1	Very high	83.4	Confident	2 Å²	2	46 Å²	46	1%	0.008	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-46.4	-176.1	-69.5	98.9	0	0	0	112.6	F56 S57 S172 L174 Y176 L179 F180 W209 P210 P212 L218 L220 I231	F56-W59 PolarHBondContact O-N 2.89Å; S57-W59 VanDerWaalsContact C-N 3.33Å; W59-S172 WeakPolarHBondContact O-CB 3.32Å; W59-S172 PolarHBondContact O-OG 3.14Å; W59-L174 HydrophobicContact CE3-CD1 4.17Å; W59-Y176 HydrophobicContact CZ3-CD2 4.11Å; W59-Y176 AromaticContact CZ3-CE2 3.98Å; W59-Y176 HydrophobicContact CZ3-CE2 3.98Å; W59-L179 HydrophobicContact CE3-CD2 4.28Å; W59-L179 HydrophobicContact CZ3-CD2 3.68Å; W59-F180 WeakPolarHBondContact O-CZ 3.24Å; W59-W209 HydrophobicContact CB-CE3 4.45Å; W59-W209 AromaticContact CD2-CE3 3.75Å; W59-W209 HydrophobicContact CD2-CE3 3.75Å; W59-W209 HydrophobicContact CD2-CZ3 4.24Å; W59-W209 AromaticContact CE2-CE3 3.86Å; W59-W209 HydrophobicContact CE3-CE3 4.21Å; W59-W209 HydrophobicContact CE3-CZ3 4.31Å; W59-W209 AromaticContact CG-CE3 3.85Å; W59-W209 HydrophobicContact CG-CE3 3.85Å; W59-W209 HydrophobicContact CG-CZ3 4.42Å; W59-W209 HydrophobicContact CZ2-CE3 4.39Å; W59-P210 VanDerWaalsContact CE2-O 3.3Å; W59-P210 VanDerWaalsContact CZ2-O 3.23Å; W59-P210 WeakPolarHBondContact CZ2-O 3.38Å; W59-P210 PolarHBondContact NE1-O 3.47Å; W59-P212 HydrophobicContact CD2-CB 4.37Å; W59-P212 HydrophobicContact CD2-CG 4.27Å; W59-P212 HydrophobicContact CE3-CB 4.28Å; W59-P212 HydrophobicContact CH2-CB 3.76Å; W59-P212 HydrophobicContact CZ2-CB 3.8Å; W59-P212 HydrophobicContact CZ2-CG 4.35Å; W59-P212 HydrophobicContact CZ3-CB 3.99Å; W59-L218 HydrophobicContact CH2-CD1 3.95Å; W59-L218 HydrophobicContact CZ2-CD1 3.82Å; W59-L220 HydrophobicContact CH2-CD1 3.91Å; W59-L220 HydrophobicContact CH2-CD2 4.08Å; W59-L220 HydrophobicContact CZ2-CD1 4.42Å; W59-L220 HydrophobicContact CZ2-CD2 3.82Å; W59-L220 HydrophobicContact CZ3-CD1 4.27Å; W59-I231 HydrophobicContact CH2-CD1 3.95Å; W59-I231 HydrophobicContact CZ3-CD1 4.43Å
60	L	95.2	Very high	85.7	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.016	24%	0.239	C	C	.	.			trans	-130.8	142.2	-174.2	-64.6	178.6	0	0	0	109.8	F56 S57 V63 L170 V171 F180 I206	F56-L60 HydrophobicContact CD1-CB 4.24Å; F56-L60 WeakPolarHBondContact CD1-O 3.42Å; F56-L60 HydrophobicContact CE1-CB 3.55Å; F56-L60 WeakPolarHBondContact CE1-O 3.2Å; F56-L60 HydrophobicContact CE2-CB 4.07Å; F56-L60 HydrophobicContact CE2-CD1 3.86Å; F56-L60 HydrophobicContact CZ-CB 3.46Å; F56-L60 VanDerWaalsContact CZ-CB 3.46Å; F56-L60 HydrophobicContact CZ-CD1 3.85Å; F56-L60 HydrophobicContact CZ-CG 4.29Å; F56-L60 PolarHBondContact O-N 2.94Å; F56-L60 VanDerWaalsContact O-O 3.11Å; S57-L60 WeakPolarHBondContact CA-O 3.45Å; L60-V63 HydrophobicContact CD1-CG2 4.07Å; L60-L170 HydrophobicContact CD1-CD2 4.08Å; L60-L170 HydrophobicContact CD2-CB 3.95Å; L60-V171 CarbonylContact C-O 3.59Å; L60-V171 WeakPolarHBondContact CA-O 3.46Å; L60-F180 HydrophobicContact CD2-CD1 3.88Å; L60-F180 HydrophobicContact CD2-CE1 3.42Å; L60-F180 VanDerWaalsContact CD2-CE1 3.42Å; L60-F180 HydrophobicContact CD2-CZ 3.87Å; L60-F180 HydrophobicContact CG-CE1 4.16Å; L60-I206 HydrophobicContact CD1-CD1 4.07Å; L60-I206 HydrophobicContact CD1-CG2 4.45Å
61	E	92.4	Very high	87.7	Confident	38 Å²	38	44.1 Å²	44.1	18%	0.178	24%	0.24	C	C	.	.	S	Bend	trans	-77.1	-45.3	168.4	-177.8	72.8	-169.9	0	0	109.8	V84 R122 F145 V171	E61-V84 WeakPolarHBondContact O-CG2 3.45Å; E61-R122 IonicContact OE1-CZ 3.89Å; E61-R122 IonicContact OE1-NH1 3.43Å; E61-R122 PolarHBondContact OE1-NH1 3.31Å; E61-R122 IonicContact OE1-NH2 2.77Å; E61-R122 PolarHBondContact OE1-NH2 2.93Å; E61-F145 HydrophobicContact CB-CD1 4.46Å; E61-F145 HydrophobicContact CB-CE1 4.24Å; E61-F145 HydrophobicContact CG-CE1 3.95Å; E61-F145 HydrophobicContact CG-CZ 4.27Å; E61-V171 HydrophobicContact CB-CG1 4.21Å; E61-V171 PolarHBondContact N-O 3.18Å
62	C	95.3	Very high	89	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	167.5	174.4	56.6	0	0	0	0	111.6	V79 Y80 V84 V171	C62-V79 HydrophobicContact CB-CG1 4.09Å; C62-Y80 CarbonylContact C-O 3.56Å; C62-Y80 WeakPolarHBondContact CA-O 3.45Å; C62-Y80 WeakPolarHBondContact CB-O 3.25Å; C62-V84 HydrophobicContact CB-CB 4.4Å; C62-V84 HydrophobicContact CB-CG1 4.09Å; C62-V84 HydrophobicContact CB-CG2 4.18Å; C62-V171 PolarHBondContact N-O 3.28Å; C62-V171 PolarHBondContact O-N 2.77Å
63	V	97.4	Very high	90.2	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.3	162.9	-174.7	0	0	0	0	108.2	F56 L60 V79 Y80 L168 V169 L170 L199	F56-V63 HydrophobicContact CE2-CG2 4.34Å; F56-V63 HydrophobicContact CZ-CG2 4Å; L60-V63 HydrophobicContact CD1-CG2 4.07Å; V63-V79 WeakPolarHBondContact O-CA 2.97Å; V63-Y80 PolarHBondContact N-O 3.15Å; V63-Y80 PolarHBondContact O-N 3.39Å; V63-L168 HydrophobicContact CG1-CD1 3.61Å; V63-L168 HydrophobicContact CG1-CG 4.41Å; V63-V169 CarbonylContact C-O 3.52Å; V63-V169 VanDerWaalsContact CA-O 3.31Å; V63-V169 WeakPolarHBondContact CA-O 3.32Å; V63-L170 HydrophobicContact CB-CD2 4.29Å; V63-L170 HydrophobicContact CG1-CD2 3.9Å; V63-L170 HydrophobicContact CG2-CD2 3.57Å; V63-L199 HydrophobicContact CG1-CD1 4.11Å; V63-L199 HydrophobicContact CG1-CD2 4.3Å
64	C	97.4	Very high	90.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.2	177.3	-62.3	0	0	0	0	110.2	V66 L78 I94 V169	C64-V66 HydrophobicContact CB-CG2 4.47Å; C64-L78 WeakPolarHBondContact CA-O 3.4Å; C64-I94 HydrophobicContact CB-CG2 4.07Å; C64-V169 HydrophobicContact CB-CB 4.24Å; C64-V169 PolarHBondContact N-O 3.33Å; C64-V169 PolarHBondContact O-N 3.29Å
65	V	97.1	Very high	91.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.1	168.7	179.6	0	0	0	0	107.3	I76 E77 L78 K166 S167 L168 F191 L199	V65-I76 CarbonylContact O-C 3.13Å; V65-I76 WeakPolarHBondContact O-CA 3.32Å; V65-E77 HydrophobicContact CG1-CB 4.23Å; V65-E77 PolarHBondContact O-N 3.35Å; V65-L78 HydrophobicContact CB-CB 3.98Å; V65-L78 HydrophobicContact CG2-CB 4.01Å; V65-L78 HydrophobicContact CG2-CD1 4.32Å; V65-L78 PolarHBondContact N-O 3.45Å; V65-L78 PolarHBondContact O-N 3.49Å; V65-K166 HydrophobicContact CG1-CD 4.24Å; V65-K166 HydrophobicContact CG1-CG 4.24Å; V65-S167 WeakPolarHBondContact CA-O 3.42Å; V65-L168 HydrophobicContact CG2-CD1 3.86Å; V65-F191 HydrophobicContact CB-CZ 4.26Å; V65-F191 HydrophobicContact CG1-CE1 3.87Å; V65-F191 HydrophobicContact CG1-CZ 3.76Å; V65-F191 HydrophobicContact CG2-CE1 3.88Å; V65-F191 HydrophobicContact CG2-CE2 4.18Å; V65-F191 HydrophobicContact CG2-CZ 3.45Å; V65-F191 VanDerWaalsContact CG2-CZ 3.45Å; V65-L199 HydrophobicContact CG2-CD2 3.68Å
66	V	96.6	Very high	91.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.2	-178	-166.2	0	0	0	0	109.2	C64 Q74 A75 I76 I94 C95 F99 K166 S167 V169	C64-V66 HydrophobicContact CB-CG2 4.47Å; V66-Q74 HydrophobicContact CG1-CB 4.47Å; V66-A75 CarbonylContact C-O 3.08Å; V66-A75 VanDerWaalsContact CA-O 3.32Å; V66-A75 WeakPolarHBondContact CA-O 3.23Å; V66-A75 VanDerWaalsContact CG1-O 3.25Å; V66-A75 WeakPolarHBondContact CG1-O 3.35Å; V66-I76 HydrophobicContact CG2-CG1 4.11Å; V66-I94 HydrophobicContact CG2-CG2 4.12Å; V66-C95 HydrophobicContact CG1-CB 4.34Å; V66-F99 HydrophobicContact CB-CE2 3.95Å; V66-F99 HydrophobicContact CG1-CD2 4.22Å; V66-F99 HydrophobicContact CG1-CE2 3.55Å; V66-K166 WeakPolarHBondContact O-CA 2.94Å; V66-S167 PolarHBondContact N-O 3.45Å; V66-S167 PolarHBondContact O-N 2.82Å; V66-V169 HydrophobicContact CG2-CG2 4.11Å
67	T	93.6	Very high	91.8	Very high	30 Å²	30	43.8 Å²	43.8	18%	0.184	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	167.9	176.2	40	0	0	0	0	111.5	Q74 A75 E77 K166	T67-Q74 WeakPolarHBondContact O-CA 3.23Å; T67-A75 PolarHBondContact N-O 3.38Å; T67-A75 PolarHBondContact O-N 3.07Å; T67-E77 WeakPolarHBondContact CG2-OE2 3.41Å; T67-E77 PolarHBondContact OG1-OE2 2.81Å; T67-K166 HydrophobicContact CG2-CB 4.15Å; T67-K166 HydrophobicContact CG2-CD 3.52Å; T67-K166 HydrophobicContact CG2-CG 3.5Å
68	F	89.4	Confident	92	Very high	62 Å²	62	42.4 Å²	42.4	27%	0.272	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	105.1	169.3	-166.9	-82.5	0	0	0	109.5	Q74 F99 R161 Q165	F68-Q74 HydrophobicContact CD2-CG 4.23Å; F68-F99 HydrophobicContact CB-CE1 4Å; F68-F99 HydrophobicContact CB-CZ 4.31Å; F68-F99 HydrophobicContact CD2-CE1 4.49Å; F68-R161 VanDerWaalsContact CD1-NH1 3.28Å; F68-Q165 HydrophobicContact CB-CB 4.42Å
69	D	87.2	Confident	92.2	Very high	64 Å²	64	43 Å²	43	34%	0.342	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	143.7	169.4	-175.5	-90.1	0	0	0	110.4	E71 L72 G73	D69-E71 VanDerWaalsContact C-N 3.33Å; D69-E71 PolarHBondContact O-N 3.38Å; D69-E71 WeakPolarHBondContact OD1-CA 3.32Å; D69-E71 WeakPolarHBondContact OD1-CB 2.94Å; D69-E71 PolarHBondContact OD1-N 2.79Å; D69-L72 HydrophobicContact CB-CB 4.14Å; D69-L72 PolarHBondContact OD1-N 2.77Å; D69-G73 PolarHBondContact N-O 2.84Å; D69-G73 VanDerWaalsContact O-CA 3.24Å; D69-G73 WeakPolarHBondContact O-CA 3.28Å; D69-G73 PolarHBondContact O-N 3.09Å
70	L	81.9	Confident	92.1	Very high	100 Å²	100	43.1 Å²	43.1	52%	0.524	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.3	-176	-69.3	174.2	0	0	0	113.3	K160 R161	L70-K160 HydrophobicContact CD1-CB 4.14Å; L70-K160 HydrophobicContact CD1-CD 3.97Å; L70-K160 HydrophobicContact CD1-CG 4.49Å; L70-R161 HydrophobicContact CD2-CB 4.33Å
71	E	83	Confident	91.9	Very high	187 Å²	187	43.3 Å²	43.3	87%	0.874	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-43.4	-177.6	-59.6	-175.7	178.2	0	0	110.9	D69	D69-E71 VanDerWaalsContact C-N 3.33Å; D69-E71 PolarHBondContact O-N 3.38Å; D69-E71 WeakPolarHBondContact OD1-CA 3.32Å; D69-E71 WeakPolarHBondContact OD1-CB 2.94Å; D69-E71 PolarHBondContact OD1-N 2.79Å
72	L	82.4	Confident	91.5	Very high	134 Å²	134	48.6 Å²	48.6	70%	0.702	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-17.8	-174.3	-58.1	175.5	0	0	0	113.5	D69	D69-L72 HydrophobicContact CB-CB 4.14Å; D69-L72 PolarHBondContact OD1-N 2.77Å
73	G	88.6	Confident	91	Very high	14 Å²	14	53.3 Å²	53.3	14%	0.144	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78.3	-138	-170.8	0	0	0	0	0	111.7	D69 A75	D69-G73 PolarHBondContact N-O 2.84Å; D69-G73 VanDerWaalsContact O-CA 3.24Å; D69-G73 WeakPolarHBondContact O-CA 3.28Å; D69-G73 PolarHBondContact O-N 3.09Å; G73-A75 PolarHBondContact O-N 3Å
74	Q	91.7	Very high	90.4	Very high	51 Å²	51	54.7 Å²	54.7	24%	0.238	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	120	179.1	-59.6	81.2	6	0	0	110.7	V66 T67 F68 C95 Y96 F99	V66-Q74 HydrophobicContact CG1-CB 4.47Å; T67-Q74 WeakPolarHBondContact O-CA 3.23Å; F68-Q74 HydrophobicContact CD2-CG 4.23Å; Q74-C95 HydrophobicContact CB-CB 4.03Å; Q74-C95 WeakPolarHBondContact O-CB 3.45Å; Q74-Y96 VanDerWaalsContact OE1-CE1 3.3Å; Q74-F99 HydrophobicContact CB-CD2 4.27Å; Q74-F99 HydrophobicContact CB-CE2 4.42Å; Q74-F99 HydrophobicContact CG-CB 4.22Å; Q74-F99 HydrophobicContact CG-CD1 4.24Å; Q74-F99 HydrophobicContact CG-CD2 3.66Å; Q74-F99 HydrophobicContact CG-CE2 4.1Å; Q74-F99 HydrophobicContact CG-CG 3.77Å
75	A	94.1	Very high	89.8	Confident	24 Å²	24	63.2 Å²	63.2	20%	0.198	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.6	-178.1	0	0	0	0	0	111.4	V66 T67 G73 E77	V66-A75 CarbonylContact C-O 3.08Å; V66-A75 VanDerWaalsContact CA-O 3.32Å; V66-A75 WeakPolarHBondContact CA-O 3.23Å; V66-A75 VanDerWaalsContact CG1-O 3.25Å; V66-A75 WeakPolarHBondContact CG1-O 3.35Å; T67-A75 PolarHBondContact N-O 3.38Å; T67-A75 PolarHBondContact O-N 3.07Å; G73-A75 PolarHBondContact O-N 3Å; A75-E77 PolarHBondContact O-N 3.18Å
76	I	95.3	Very high	89.5	Confident	41 Å²	41	63.9 Å²	63.9	21%	0.21	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	120.3	170.6	-72.6	159.8	0	0	0	108	V65 V66 L78 V79 K91 I94	V65-I76 CarbonylContact O-C 3.13Å; V65-I76 WeakPolarHBondContact O-CA 3.32Å; V66-I76 HydrophobicContact CG2-CG1 4.11Å; I76-L78 WeakPolarHBondContact CG2-O 3.45Å; I76-V79 HydrophobicContact CG2-CG2 3.4Å; I76-V79 VanDerWaalsContact CG2-CG2 3.4Å; I76-K91 HydrophobicContact CD1-CB 3.84Å; I76-K91 HydrophobicContact CD1-CG 4.03Å; I76-I94 HydrophobicContact CD1-CB 4.49Å; I76-I94 HydrophobicContact CD1-CG2 4.36Å
77	E	93.9	Very high	89.2	Confident	90 Å²	90	66.3 Å²	66.3	42%	0.421	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-44.6	175	-171.2	-174.5	129.2	0	0	110.6	V65 T67 A75 K166	V65-E77 HydrophobicContact CG1-CB 4.23Å; V65-E77 PolarHBondContact O-N 3.35Å; T67-E77 WeakPolarHBondContact CG2-OE2 3.41Å; T67-E77 PolarHBondContact OG1-OE2 2.81Å; A75-E77 PolarHBondContact O-N 3.18Å; E77-K166 IonicContact OE1-NZ 2.79Å; E77-K166 PolarHBondContact OE1-NZ 3.05Å; E77-K166 VanDerWaalsContact OE2-CE 3.23Å; E77-K166 WeakPolarHBondContact OE2-CE 3.24Å; E77-K166 IonicContact OE2-NZ 3.98Å; E77-K166 PolarHBondContact OE2-NZ 3.08Å
78	L	93.8	Very high	89.1	Confident	28 Å²	28	70.8 Å²	70.8	15%	0.147	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146	-175.9	-60.5	168.1	0	0	0	111.3	C64 V65 I76 Y80 E196	C64-L78 WeakPolarHBondContact CA-O 3.4Å; V65-L78 HydrophobicContact CB-CB 3.98Å; V65-L78 HydrophobicContact CG2-CB 4.01Å; V65-L78 HydrophobicContact CG2-CD1 4.32Å; V65-L78 PolarHBondContact N-O 3.45Å; V65-L78 PolarHBondContact O-N 3.49Å; I76-L78 WeakPolarHBondContact CG2-O 3.45Å; L78-Y80 HydrophobicContact CB-CE2 4.39Å; L78-E196 HydrophobicContact CD1-CB 4.01Å; L78-E196 HydrophobicContact CD1-CG 3.95Å; L78-E196 HydrophobicContact CD2-CG 4.38Å
79	V	94.6	Very high	89.2	Confident	34 Å²	34	72.8 Å²	72.8	21%	0.206	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.5	170.6	-176.1	0	0	0	0	109.1	C62 V63 I76 V84 L86	C62-V79 HydrophobicContact CB-CG1 4.09Å; V63-V79 WeakPolarHBondContact O-CA 2.97Å; I76-V79 HydrophobicContact CG2-CG2 3.4Å; I76-V79 VanDerWaalsContact CG2-CG2 3.4Å; V79-V84 HydrophobicContact CG1-CB 4.46Å; V79-L86 HydrophobicContact CG1-CD1 4.36Å
80	Y	92.3	Very high	89.5	Confident	3 Å²	3	69.9 Å²	69.9	1%	0.012	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139	172.7	-78.9	-83.5	0	0	0	111	W53 C62 V63 L78 E196 L199 E200	W53-Y80 AromaticContact CH2-CD1 3.87Å; W53-Y80 HydrophobicContact CH2-CD1 3.87Å; W53-Y80 HydrophobicContact CH2-CE1 4.31Å; W53-Y80 HydrophobicContact CZ3-CD1 4.36Å; C62-Y80 CarbonylContact C-O 3.56Å; C62-Y80 WeakPolarHBondContact CA-O 3.45Å; C62-Y80 WeakPolarHBondContact CB-O 3.25Å; V63-Y80 PolarHBondContact N-O 3.15Å; V63-Y80 PolarHBondContact O-N 3.39Å; L78-Y80 HydrophobicContact CB-CE2 4.39Å; Y80-E196 HydrophobicContact CE2-CG 4.22Å; Y80-E196 WeakPolarHBondContact OH-CG 3.49Å; Y80-E196 PolarHBondContact OH-OE1 2.66Å; Y80-E196 VanDerWaalsContact OH-OE1 3.08Å; Y80-L199 HydrophobicContact CD2-CD2 3.66Å; Y80-L199 HydrophobicContact CD2-CG 4.03Å; Y80-L199 HydrophobicContact CE2-CB 4.49Å; Y80-L199 HydrophobicContact CE2-CD2 3.95Å; Y80-L199 HydrophobicContact CE2-CG 4.29Å; Y80-E200 HydrophobicContact CE1-CB 4.05Å; Y80-E200 HydrophobicContact CE1-CG 4.19Å
81	P	90.8	Very high	90	Very high	7 Å²	7	68.5 Å²	68.5	5%	0.045	34%	0.339	C	S	.	.	S	Bend	cis	-57.5	153.9	-15.5	-31.4	39	0	0	0	115.2	W53 F56 D83 V84	W53-P81 HydrophobicContact CB-CG 4.21Å; W53-P81 HydrophobicContact CD2-CB 4.4Å; W53-P81 HydrophobicContact CD2-CG 4.03Å; W53-P81 HydrophobicContact CE3-CB 3.27Å; W53-P81 HydrophobicContact CE3-CG 3.32Å; W53-P81 HydrophobicContact CG-CG 4.48Å; W53-P81 HydrophobicContact CZ3-CB 3.47Å; W53-P81 VanDerWaalsContact CZ3-CB 3.47Å; W53-P81 HydrophobicContact CZ3-CG 3.89Å; F56-P81 HydrophobicContact CD1-CG 3.97Å; F56-P81 HydrophobicContact CE1-CG 4.08Å; P81-D83 WeakPolarHBondContact CB-OD1 3.49Å; P81-D83 PolarHBondContact O-N 3.2Å; P81-V84 HydrophobicContact CB-CG2 3.97Å; P81-V84 HydrophobicContact CG-CG2 4.23Å; P81-V84 WeakPolarHBondContact O-CB 3.45Å; P81-V84 WeakPolarHBondContact O-CG2 3.4Å; P81-V84 PolarHBondContact O-N 2.89Å
82	Q	85.8	Confident	90.5	Very high	149 Å²	149	62.8 Å²	62.8	70%	0.696	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-23	-178.8	-67.9	-177.5	-2.6	0	0	113.3	V84	Q82-V84 VanDerWaalsContact C-N 3.32Å
83	D	83.5	Confident	91.1	Very high	99 Å²	99	57 Å²	57	53%	0.529	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-5	178	63.5	-44.4	0	0	0	113.4	P81 K85	P81-D83 WeakPolarHBondContact CB-OD1 3.49Å; P81-D83 PolarHBondContact O-N 3.2Å; D83-K85 PolarHBondContact O-N 2.66Å
84	V	86.2	Confident	91.5	Very high	32 Å²	32	56.4 Å²	56.4	19%	0.194	28%	0.282	C	S	.	.			trans	-66.1	120	176.9	176.8	0	0	0	0	110.7	E61 C62 V79 P81 Q82 L86	E61-V84 WeakPolarHBondContact O-CG2 3.45Å; C62-V84 HydrophobicContact CB-CB 4.4Å; C62-V84 HydrophobicContact CB-CG1 4.09Å; C62-V84 HydrophobicContact CB-CG2 4.18Å; V79-V84 HydrophobicContact CG1-CB 4.46Å; P81-V84 HydrophobicContact CB-CG2 3.97Å; P81-V84 HydrophobicContact CG-CG2 4.23Å; P81-V84 WeakPolarHBondContact O-CB 3.45Å; P81-V84 WeakPolarHBondContact O-CG2 3.4Å; P81-V84 PolarHBondContact O-N 2.89Å; Q82-V84 VanDerWaalsContact C-N 3.32Å; V84-L86 HydrophobicContact CG1-CD2 4.1Å; V84-L86 HydrophobicContact CG1-CG 4.02Å; V84-L86 PolarHBondContact O-N 3.23Å
85	K	84.9	Confident	91.7	Very high	179 Å²	179	54.5 Å²	54.5	78%	0.778	27%	0.274	S	S	*	.			trans	-91.6	79.2	178.7	-64.1	-177.1	-179.3	177.8	0	112.1	D83 R122	D83-K85 PolarHBondContact O-N 2.66Å; K85-R122 PolarHBondContact O-NH2 2.73Å
86	L	89.4	Confident	91.7	Very high	14 Å²	14	56.9 Å²	56.9	7%	0.073	28%	0.279	C	S	.	.			trans	-72.1	136.3	169.4	-64.5	177	0	0	0	110.6	V79 V84 K91 I94	V79-L86 HydrophobicContact CG1-CD1 4.36Å; V84-L86 HydrophobicContact CG1-CD2 4.1Å; V84-L86 HydrophobicContact CG1-CG 4.02Å; V84-L86 PolarHBondContact O-N 3.23Å; L86-K91 HydrophobicContact CB-CG 3.77Å; L86-K91 HydrophobicContact CD1-CG 4.37Å; L86-K91 WeakPolarHBondContact O-CE 3.5Å; L86-I94 HydrophobicContact CD1-CD1 3.9Å
87	T	91.6	Very high	91.7	Very high	50 Å²	50	55.1 Å²	55.1	31%	0.307	27%	0.269	S	S	.	.			trans	-69.7	154.2	171.7	61.4	0	0	0	0	110.7	K89 E90 K91 S119	T87-K89 PolarHBondContact O-N 2.74Å; T87-E90 WeakPolarHBondContact CB-OE2 3.25Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.48Å; T87-E90 PolarHBondContact N-OE2 3.28Å; T87-E90 PolarHBondContact O-N 3.15Å; T87-E90 WeakPolarHBondContact OG1-CB 3.37Å; T87-E90 WeakPolarHBondContact OG1-CG 3.28Å; T87-E90 PolarHBondContact OG1-N 3.48Å; T87-E90 PolarHBondContact OG1-OE2 3.29Å; T87-K91 WeakPolarHBondContact O-CG 3.23Å; T87-K91 PolarHBondContact O-N 3.4Å; T87-S119 PolarHBondContact OG1-OG 3.23Å
88	E	90.8	Very high	91.8	Very high	125 Å²	125	50.8 Å²	50.8	58%	0.584	25%	0.249	S	C	*	.	H	α-helix	trans	-57.6	-33.8	177.7	-65.3	-51.7	122.4	0	0	112.6	K91 T92	E88-K91 IonicContact OE1-NZ 2.66Å; E88-K91 PolarHBondContact OE1-NZ 3.41Å; E88-T92 VanDerWaalsContact O-CB 3.31Å; E88-T92 WeakPolarHBondContact O-CB 2.99Å; E88-T92 PolarHBondContact O-N 3.49Å; E88-T92 PolarHBondContact O-OG1 2.8Å
89	K	91.1	Very high	91.8	Very high	104 Å²	104	49.9 Å²	49.9	45%	0.452	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-46.2	173.7	-171.2	-177.7	179.1	-172.1	0	111.8	T87 T92 S93 S329	T87-K89 PolarHBondContact O-N 2.74Å; K89-T92 PolarHBondContact O-N 3.33Å; K89-S93 PolarHBondContact O-N 2.87Å; K89-S93 PolarHBondContact O-OG 2.71Å; K89-S329 WeakPolarHBondContact CE-OG 3.26Å; K89-S329 PolarHBondContact NZ-OG 3.02Å
90	E	93.1	Very high	91.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-44.4	178.4	-72.4	159.6	159	0	0	111.2	T87 T92 S93 I94 L116 S119 R122	T87-E90 WeakPolarHBondContact CB-OE2 3.25Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.48Å; T87-E90 PolarHBondContact N-OE2 3.28Å; T87-E90 PolarHBondContact O-N 3.15Å; T87-E90 WeakPolarHBondContact OG1-CB 3.37Å; T87-E90 WeakPolarHBondContact OG1-CG 3.28Å; T87-E90 PolarHBondContact OG1-N 3.48Å; T87-E90 PolarHBondContact OG1-OE2 3.29Å; E90-T92 VanDerWaalsContact C-N 3.34Å; E90-T92 PolarHBondContact O-N 3.21Å; E90-S93 PolarHBondContact O-N 2.66Å; E90-I94 VanDerWaalsContact O-CG1 3.29Å; E90-I94 WeakPolarHBondContact O-CG1 3.37Å; E90-I94 PolarHBondContact O-N 2.87Å; E90-L116 HydrophobicContact CB-CD1 4.44Å; E90-L116 HydrophobicContact CG-CD1 4.03Å; E90-S119 PolarHBondContact OE1-N 2.77Å; E90-S119 VanDerWaalsContact OE1-N 3.11Å; E90-R122 IonicContact OE2-NE 2.88Å
91	K	94.1	Very high	91.3	Very high	71 Å²	71	50.7 Å²	50.7	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-55.4	-50.3	174.2	-70.1	-179.9	-173.1	169.2	0	111.2	I76 L86 T87 E88 S93 I94 C95	I76-K91 HydrophobicContact CD1-CB 3.84Å; I76-K91 HydrophobicContact CD1-CG 4.03Å; L86-K91 HydrophobicContact CB-CG 3.77Å; L86-K91 HydrophobicContact CD1-CG 4.37Å; L86-K91 WeakPolarHBondContact O-CE 3.5Å; T87-K91 WeakPolarHBondContact O-CG 3.23Å; T87-K91 PolarHBondContact O-N 3.4Å; E88-K91 IonicContact OE1-NZ 2.66Å; E88-K91 PolarHBondContact OE1-NZ 3.41Å; K91-S93 PolarHBondContact O-N 2.97Å; K91-I94 PolarHBondContact O-N 2.84Å; K91-C95 PolarHBondContact O-N 3.43Å; K91-C95 PolarHBondContact O-SG 2.88Å
92	T	93.6	Very high	90.6	Very high	68 Å²	68	51 Å²	51	42%	0.417	25%	0.251	S	S	.	.	H	α-helix	trans	-60.3	-45	179	-56.7	0	0	0	0	111.6	E88 K89 E90 C95 Y96	E88-T92 VanDerWaalsContact O-CB 3.31Å; E88-T92 WeakPolarHBondContact O-CB 2.99Å; E88-T92 PolarHBondContact O-N 3.49Å; E88-T92 PolarHBondContact O-OG1 2.8Å; K89-T92 PolarHBondContact O-N 3.33Å; E90-T92 VanDerWaalsContact C-N 3.34Å; E90-T92 PolarHBondContact O-N 3.21Å; T92-C95 PolarHBondContact O-N 3.32Å; T92-Y96 HydrophobicContact CG2-CD2 3.71Å; T92-Y96 HydrophobicContact CG2-CE2 3.51Å; T92-Y96 VanDerWaalsContact O-CD2 3.24Å; T92-Y96 WeakPolarHBondContact O-CD2 3.48Å; T92-Y96 PolarHBondContact O-N 2.89Å; T92-Y96 VanDerWaalsContact O-N 3.16Å
93	S	94.9	Very high	89.5	Confident	12 Å²	12	53 Å²	53	8%	0.084	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-42.9	176	-67.8	0	0	0	0	112.4	K89 E90 K91 L97	K89-S93 PolarHBondContact O-N 2.87Å; K89-S93 PolarHBondContact O-OG 2.71Å; E90-S93 PolarHBondContact O-N 2.66Å; K91-S93 PolarHBondContact O-N 2.97Å; S93-L97 VanDerWaalsContact O-CB 3.23Å; S93-L97 WeakPolarHBondContact O-CB 3.35Å; S93-L97 VanDerWaalsContact O-CG 3.26Å; S93-L97 WeakPolarHBondContact O-CG 3.33Å; S93-L97 PolarHBondContact O-N 2.8Å
94	I	96.4	Very high	88.2	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-47.3	176	-69.3	163.8	0	0	0	110	C64 V66 I76 L86 E90 K91 Y96 S98 F114 L116 V171	C64-I94 HydrophobicContact CB-CG2 4.07Å; V66-I94 HydrophobicContact CG2-CG2 4.12Å; I76-I94 HydrophobicContact CD1-CB 4.49Å; I76-I94 HydrophobicContact CD1-CG2 4.36Å; L86-I94 HydrophobicContact CD1-CD1 3.9Å; E90-I94 VanDerWaalsContact O-CG1 3.29Å; E90-I94 WeakPolarHBondContact O-CG1 3.37Å; E90-I94 PolarHBondContact O-N 2.87Å; K91-I94 PolarHBondContact O-N 2.84Å; I94-Y96 PolarHBondContact O-N 3.13Å; I94-S98 WeakPolarHBondContact O-CB 3.46Å; I94-S98 PolarHBondContact O-N 3.5Å; I94-S98 PolarHBondContact O-OG 2.91Å; I94-F114 HydrophobicContact CG1-CZ 4.4Å; I94-L116 HydrophobicContact CG1-CD2 3.9Å; I94-V171 HydrophobicContact CD1-CG2 4.19Å
95	C	95.4	Very high	86.9	Confident	11 Å²	11	53.8 Å²	53.8	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-53	-55.2	178.4	-70.4	0	0	0	0	112.4	V66 Q74 K91 T92 S98	V66-C95 HydrophobicContact CG1-CB 4.34Å; Q74-C95 HydrophobicContact CB-CB 4.03Å; Q74-C95 WeakPolarHBondContact O-CB 3.45Å; K91-C95 PolarHBondContact O-N 3.43Å; K91-C95 PolarHBondContact O-SG 2.88Å; T92-C95 PolarHBondContact O-N 3.32Å; C95-S98 PolarHBondContact O-N 2.74Å
96	Y	93.8	Very high	86	Confident	74 Å²	74	45.5 Å²	45.5	29%	0.29	25%	0.245	S	C	.	.	H	α-helix	trans	-74.1	-35	-173.9	-72.1	-60.7	0	0	0	113.7	Q74 T92 I94 S98 H327	Q74-Y96 VanDerWaalsContact OE1-CE1 3.3Å; T92-Y96 HydrophobicContact CG2-CD2 3.71Å; T92-Y96 HydrophobicContact CG2-CE2 3.51Å; T92-Y96 VanDerWaalsContact O-CD2 3.24Å; T92-Y96 WeakPolarHBondContact O-CD2 3.48Å; T92-Y96 PolarHBondContact O-N 2.89Å; T92-Y96 VanDerWaalsContact O-N 3.16Å; I94-Y96 PolarHBondContact O-N 3.13Å; Y96-S98 VanDerWaalsContact C-N 3.28Å; Y96-H327 HydrophobicContact CD1-CB 4.03Å; Y96-H327 AromaticContact CD1-CD2 3.88Å; Y96-H327 AromaticContact CD1-CG 3.76Å; Y96-H327 HydrophobicContact CD2-CB 3.91Å; Y96-H327 HydrophobicContact CG-CB 3.59Å; Y96-H327 AromaticContact CG-CG 3.86Å
97	L	95.6	Very high	85.5	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-78.1	-14.6	179.2	-66.6	171	0	0	0	112.6	S93 F99 F112 F114 L116 T325	S93-L97 VanDerWaalsContact O-CB 3.23Å; S93-L97 WeakPolarHBondContact O-CB 3.35Å; S93-L97 VanDerWaalsContact O-CG 3.26Å; S93-L97 WeakPolarHBondContact O-CG 3.33Å; S93-L97 PolarHBondContact O-N 2.8Å; L97-F99 VanDerWaalsContact C-N 3.27Å; L97-F99 PolarHBondContact O-N 2.87Å; L97-F112 VanDerWaalsContact O-CE2 3.22Å; L97-F112 WeakPolarHBondContact O-CE2 3.43Å; L97-F114 HydrophobicContact CB-CB 4.14Å; L97-F114 HydrophobicContact CB-CD1 3.71Å; L97-F114 HydrophobicContact CB-CD2 3.83Å; L97-F114 HydrophobicContact CB-CE1 3.94Å; L97-F114 HydrophobicContact CB-CE2 4.05Å; L97-F114 HydrophobicContact CB-CG 3.65Å; L97-F114 HydrophobicContact CB-CZ 4.12Å; L97-F114 HydrophobicContact CD1-CB 4.32Å; L97-F114 HydrophobicContact CD1-CD2 3.63Å; L97-F114 HydrophobicContact CD1-CE2 4.1Å; L97-F114 HydrophobicContact CD1-CG 4.09Å; L97-F114 HydrophobicContact CG-CD2 4.37Å; L97-F114 HydrophobicContact CG-CG 4.43Å; L97-F114 WeakPolarHBondContact O-CD1 3.49Å; L97-L116 HydrophobicContact CD1-CB 4.36Å; L97-T325 HydrophobicContact CD2-CG2 3.99Å
98	S	96.3	Very high	85.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.4	179.4	-61.2	0	0	0	0	114	I94 C95 Y96 S167 V169	I94-S98 WeakPolarHBondContact O-CB 3.46Å; I94-S98 PolarHBondContact O-N 3.5Å; I94-S98 PolarHBondContact O-OG 2.91Å; C95-S98 PolarHBondContact O-N 2.74Å; Y96-S98 VanDerWaalsContact C-N 3.28Å; S98-S167 PolarHBondContact O-OG 2.78Å; S98-V169 WeakPolarHBondContact OG-CG2 3.47Å
99	F	93.5	Very high	85.5	Confident	8 Å²	8	47 Å²	47	4%	0.035	26%	0.261	C	S	.	.	S	Bend	trans	-119.2	142.4	179.5	-78.4	-111.1	0	0	0	110.4	V66 F68 Q74 L97 D101 F151 Q165	V66-F99 HydrophobicContact CB-CE2 3.95Å; V66-F99 HydrophobicContact CG1-CD2 4.22Å; V66-F99 HydrophobicContact CG1-CE2 3.55Å; F68-F99 HydrophobicContact CB-CE1 4Å; F68-F99 HydrophobicContact CB-CZ 4.31Å; F68-F99 HydrophobicContact CD2-CE1 4.49Å; Q74-F99 HydrophobicContact CB-CD2 4.27Å; Q74-F99 HydrophobicContact CB-CE2 4.42Å; Q74-F99 HydrophobicContact CG-CB 4.22Å; Q74-F99 HydrophobicContact CG-CD1 4.24Å; Q74-F99 HydrophobicContact CG-CD2 3.66Å; Q74-F99 HydrophobicContact CG-CE2 4.1Å; Q74-F99 HydrophobicContact CG-CG 3.77Å; L97-F99 VanDerWaalsContact C-N 3.27Å; L97-F99 PolarHBondContact O-N 2.87Å; F99-D101 PolarHBondContact O-N 2.94Å; F99-F151 HydrophobicContact CD1-CD2 4.29Å; F99-F151 AromaticContact CD1-CE2 3.55Å; F99-F151 HydrophobicContact CD1-CE2 3.55Å; F99-F151 HydrophobicContact CD1-CZ 4.22Å; F99-F151 HydrophobicContact CE1-CD2 4.38Å; F99-F151 AromaticContact CE1-CE2 3.63Å; F99-F151 HydrophobicContact CE1-CE2 3.63Å; F99-F151 HydrophobicContact CG-CE2 4.29Å; F99-F151 HydrophobicContact CZ-CE2 4.37Å; F99-Q165 HydrophobicContact CE1-CB 3.91Å
100	P	90.9	Very high	85.6	Confident	23 Å²	23	42.8 Å²	42.8	15%	0.149	24%	0.244	C	C	.	.			trans	-58.8	130.6	168.6	-23.1	33.9	0	0	0	111.8	S102 C106 F151 P297	P100-S102 VanDerWaalsContact C-N 3.27Å; P100-S102 PolarHBondContact O-N 3.33Å; P100-C106 HydrophobicContact CB-CB 4.47Å; P100-C106 HydrophobicContact CG-CB 4.19Å; P100-F151 HydrophobicContact CG-CD1 3.67Å; P100-F151 HydrophobicContact CG-CE1 3.7Å; P100-F151 HydrophobicContact CG-CG 4.37Å; P100-F151 HydrophobicContact CG-CZ 4.41Å; P100-P297 HydrophobicContact CB-CG 3.88Å; P100-P297 HydrophobicContact CG-CG 4.12Å
101	D	85.6	Confident	85.7	Confident	31 Å²	31	44.1 Å²	44.1	17%	0.166	25%	0.25	C	S	.	.	S	Bend	trans	-80.7	-2.9	-179.5	78.2	-16.6	0	0	0	114.2	F99 Y323 T325 T349 N350	F99-D101 PolarHBondContact O-N 2.94Å; D101-Y323 VanDerWaalsContact CG-OH 3.29Å; D101-Y323 PolarHBondContact N-OH 3.47Å; D101-Y323 PolarHBondContact OD1-OH 2.92Å; D101-T325 HydrophobicContact CB-CG2 3.84Å; D101-T349 PolarHBondContact OD1-OG1 2.95Å; D101-N350 PolarHBondContact O-ND2 3.3Å; D101-N350 WeakPolarHBondContact OD2-CB 3.21Å
102	S	76.5	Confident	85.9	Confident	13 Å²	13	40.8 Å²	40.8	9%	0.091	24%	0.236	C	C	.	.	S	Bend	trans	-134.3	143.1	176.8	71.3	0	0	0	0	111.2	P100 S104	P100-S102 VanDerWaalsContact C-N 3.27Å; P100-S102 PolarHBondContact O-N 3.33Å; S102-S104 PolarHBondContact O-N 3.09Å; S102-S104 PolarHBondContact OG-OG 3.43Å
103	Y	62.3	Low	86.1	Confident	192 Å²	192	37.7 Å²	37.7	75%	0.753	22%	0.216	S	C	*	.			trans	-77.9	-2.6	-177.4	-70.6	-81.2	0	0	0	114	G105 R161	Y103-G105 PolarHBondContact O-N 3.2Å; Y103-R161 PolarHBondContact OH-NH2 3.42Å
104	S	56.1	Low	86.2	Confident	69 Å²	69	37.1 Å²	37.1	48%	0.483	21%	0.212	S	C	.	.	S	Bend	trans	-78.9	111.8	-174	52.2	0	0	0	0	111.4	S102 C106	S102-S104 PolarHBondContact O-N 3.09Å; S102-S104 PolarHBondContact OG-OG 3.43Å; S104-C106 PolarHBondContact O-N 3.21Å
105	G	59.2	Low	86.2	Confident	79 Å²	79	37.9 Å²	37.9	81%	0.814	22%	0.215	S	C	*	.	S	Bend	trans	79.5	14.5	161	0	0	0	0	0	117	Y103	Y103-G105 PolarHBondContact O-N 3.2Å
106	C	65.1	Low	86.2	Confident	4 Å²	4	37.5 Å²	37.5	3%	0.027	21%	0.212	C	C	.	.			trans	-94.7	21.6	-178	-60.4	0	0	0	0	114.3	P100 S104 G108 F151	P100-C106 HydrophobicContact CB-CB 4.47Å; P100-C106 HydrophobicContact CG-CB 4.19Å; S104-C106 PolarHBondContact O-N 3.21Å; C106-G108 PolarHBondContact O-N 2.93Å; C106-F151 HydrophobicContact CB-CE1 4.34Å
107	L	80.1	Confident	86	Confident	118 Å²	118	38.7 Å²	38.7	62%	0.618	22%	0.216	S	C	*	.			trans	-71.4	129.4	174.4	-69.8	171.3	0	0	0	109.9	Y163	L107-Y163 HydrophobicContact CD2-CD1 4.24Å; L107-Y163 HydrophobicContact CD2-CE1 3.6Å
108	G	88.8	Confident	85.7	Confident	26 Å²	26	39.6 Å²	39.6	27%	0.268	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	98.1	-145.9	-175.4	0	0	0	0	0	112.3	C106 Q153	C106-G108 PolarHBondContact O-N 2.93Å; G108-Q153 PolarHBondContact N-O 3.47Å; G108-Q153 PolarHBondContact O-N 3.35Å
109	D	92.6	Very high	85.1	Confident	78 Å²	78	40.6 Å²	40.6	42%	0.417	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.2	-175.1	-62.9	-35.5	0	0	0	110.7	Y150 F151 R152	D109-Y150 HydrophobicContact CB-CE1 3.78Å; D109-Y150 WeakPolarHBondContact CB-OH 3.18Å; D109-Y150 PolarHBondContact OD2-OH 2.81Å; D109-F151 CarbonylContact C-O 3.59Å; D109-F151 WeakPolarHBondContact CA-O 3.14Å; D109-R152 WeakPolarHBondContact OD1-CB 3.22Å; D109-R152 WeakPolarHBondContact OD1-CG 3.17Å; D109-R152 IonicContact OD1-CZ 3.8Å; D109-R152 IonicContact OD1-NE 3.72Å; D109-R152 PolarHBondContact OD1-NE 2.85Å; D109-R152 IonicContact OD1-NH2 3Å; D109-R152 PolarHBondContact OD1-NH2 2.76Å; D109-R152 IonicContact OD2-CZ 2.74Å; D109-R152 IonicContact OD2-NE 3.46Å; D109-R152 IonicContact OD2-NH2 3.56Å; D109-R152 PolarHBondContact OD2-NH2 2.97Å
110	T	93.8	Very high	84.1	Confident	14 Å²	14	47.7 Å²	47.7	9%	0.086	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.2	-178.3	-55.2	0	0	0	0	109.9	F112 F151 T298	T110-F112 HydrophobicContact CG2-CD1 4.09Å; T110-F151 PolarHBondContact N-O 3.22Å; T110-F151 PolarHBondContact O-N 2.86Å; T110-T298 VanDerWaalsContact CG2-OG1 3.31Å; T110-T298 WeakPolarHBondContact CG2-OG1 3.32Å
111	Q	95.9	Very high	82.7	Confident	31 Å²	31	49.9 Å²	49.9	15%	0.145	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.6	173.6	-71.2	-169.2	-53.8	0	0	111.6	V149 Y150 H181 T298	Q111-V149 VanDerWaalsContact CA-O 3.26Å; Q111-V149 WeakPolarHBondContact CA-O 3.44Å; Q111-Y150 HydrophobicContact CG-CD2 3.71Å; Q111-Y150 HydrophobicContact CG-CE2 4.3Å; Q111-Y150 HydrophobicContact CG-CG 4.31Å; Q111-H181 PolarHBondContact NE2-O 3.43Å; Q111-T298 WeakPolarHBondContact O-CA 3.5Å; Q111-T298 VanDerWaalsContact O-CB 3.25Å; Q111-T298 WeakPolarHBondContact O-CB 3.31Å; Q111-T298 WeakPolarHBondContact O-CG2 3.24Å; Q111-T298 PolarHBondContact O-OG1 3.3Å
112	F	97.1	Very high	81.6	Confident	1 Å²	1	51.4 Å²	51.4	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	167.1	177.5	59.9	-82.8	0	0	0	111.2	L97 T110 V149 F151 H181 P297 S301 Y323	L97-F112 VanDerWaalsContact O-CE2 3.22Å; L97-F112 WeakPolarHBondContact O-CE2 3.43Å; T110-F112 HydrophobicContact CG2-CD1 4.09Å; F112-V149 HydrophobicContact CD1-CB 4.16Å; F112-V149 HydrophobicContact CD1-CG1 4.29Å; F112-V149 HydrophobicContact CD2-CB 4.28Å; F112-V149 HydrophobicContact CD2-CG2 4.28Å; F112-V149 HydrophobicContact CE1-CB 3.94Å; F112-V149 HydrophobicContact CE1-CG1 3.63Å; F112-V149 HydrophobicContact CE2-CB 4.07Å; F112-V149 HydrophobicContact CE2-CG1 4.28Å; F112-V149 HydrophobicContact CE2-CG2 3.92Å; F112-V149 HydrophobicContact CG-CB 4.33Å; F112-V149 HydrophobicContact CZ-CB 3.9Å; F112-V149 HydrophobicContact CZ-CG1 3.63Å; F112-V149 HydrophobicContact CZ-CG2 4.1Å; F112-V149 PolarHBondContact N-O 2.89Å; F112-V149 PolarHBondContact O-N 2.86Å; F112-F151 HydrophobicContact CE1-CB 4.06Å; F112-H181 PolarHBondContact O-CE1 2.86Å; F112-H181 VanDerWaalsContact O-CE1 3.29Å; F112-P297 HydrophobicContact CB-CB 3.81Å; F112-P297 WeakPolarHBondContact CB-O 3.29Å; F112-P297 HydrophobicContact CD1-CB 3.78Å; F112-P297 HydrophobicContact CD2-CB 3.92Å; F112-P297 HydrophobicContact CE1-CB 4.28Å; F112-P297 HydrophobicContact CE2-CB 4.38Å; F112-P297 HydrophobicContact CG-CB 3.57Å; F112-S301 WeakPolarHBondContact CA-OG 3.09Å; F112-S301 WeakPolarHBondContact CB-OG 3.21Å; F112-Y323 AromaticContact CD2-CD1 3.99Å; F112-Y323 HydrophobicContact CD2-CD1 3.99Å; F112-Y323 HydrophobicContact CD2-CG 4.26Å; F112-Y323 AromaticContact CE2-CD1 3.74Å; F112-Y323 HydrophobicContact CE2-CD1 3.74Å; F112-Y323 HydrophobicContact CE2-CE1 4Å; F112-Y323 HydrophobicContact CE2-CG 4.46Å
113	T	98.3	Very high	80.5	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.7	-179.8	-46.3	0	0	0	0	109.5	F146 G147 Y148 H181 S301 L305 P322	T113-F146 HydrophobicContact CG2-CD1 4.12Å; T113-G147 CarbonylContact C-O 3.5Å; T113-G147 WeakPolarHBondContact CA-O 3.29Å; T113-Y148 HydrophobicContact CG2-CD1 3.72Å; T113-Y148 HydrophobicContact CG2-CE1 3.61Å; T113-H181 PolarHBondContact OG1-NE2 3.02Å; T113-S301 PolarHBondContact N-OG 2.55Å; T113-S301 WeakPolarHBondContact O-CB 3.32Å; T113-L305 HydrophobicContact CG2-CD1 4.34Å; T113-P322 WeakPolarHBondContact O-CB 3.46Å
114	F	97.8	Very high	80.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	165.1	165.4	64.4	-101.7	0	0	0	110.4	I94 L97 L116 F146 G147 V149 V169	I94-F114 HydrophobicContact CG1-CZ 4.4Å; L97-F114 HydrophobicContact CB-CB 4.14Å; L97-F114 HydrophobicContact CB-CD1 3.71Å; L97-F114 HydrophobicContact CB-CD2 3.83Å; L97-F114 HydrophobicContact CB-CE1 3.94Å; L97-F114 HydrophobicContact CB-CE2 4.05Å; L97-F114 HydrophobicContact CB-CG 3.65Å; L97-F114 HydrophobicContact CB-CZ 4.12Å; L97-F114 HydrophobicContact CD1-CB 4.32Å; L97-F114 HydrophobicContact CD1-CD2 3.63Å; L97-F114 HydrophobicContact CD1-CE2 4.1Å; L97-F114 HydrophobicContact CD1-CG 4.09Å; L97-F114 HydrophobicContact CG-CD2 4.37Å; L97-F114 HydrophobicContact CG-CG 4.43Å; L97-F114 WeakPolarHBondContact O-CD1 3.49Å; F114-L116 HydrophobicContact CD2-CB 4.47Å; F114-L116 HydrophobicContact CD2-CD2 4.25Å; F114-L116 HydrophobicContact CE2-CB 4.49Å; F114-L116 HydrophobicContact CE2-CD2 3.56Å; F114-F146 WeakPolarHBondContact O-CA 3.48Å; F114-G147 PolarHBondContact N-O 2.88Å; F114-G147 PolarHBondContact O-N 2.73Å; F114-V149 HydrophobicContact CD1-CG2 3.49Å; F114-V149 VanDerWaalsContact CD1-CG2 3.49Å; F114-V149 HydrophobicContact CE1-CG2 3.31Å; F114-V169 HydrophobicContact CE1-CG1 4.1Å; F114-V169 HydrophobicContact CZ-CG1 4.02Å
115	R	96.6	Very high	79.4	Confident	18 Å²	18	56.2 Å²	56.2	7%	0.068	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.4	177.2	-175.8	175	173.3	-122.8	5	108.3	E141 H144 F145 F146 D319 F320 P322	R115-E141 IonicContact CZ-OE1 2.86Å; R115-E141 IonicContact CZ-OE2 3.75Å; R115-E141 IonicContact NE-OE1 2.88Å; R115-E141 PolarHBondContact NE-OE1 3.3Å; R115-E141 IonicContact NE-OE2 3.24Å; R115-E141 PolarHBondContact NE-OE2 3.43Å; R115-E141 IonicContact NH2-OE1 3.92Å; R115-E141 PolarHBondContact NH2-OE1 3Å; R115-E141 IonicContact NH2-OE2 2.74Å; R115-E141 PolarHBondContact NH2-OE2 2.85Å; R115-H144 HydrophobicContact CG-CB 3.84Å; R115-H144 PolarHBondContact NH2-ND1 3.29Å; R115-F145 CarbonylContact C-O 3.53Å; R115-F145 WeakPolarHBondContact CA-O 3.37Å; R115-F146 HydrophobicContact CB-CD1 4.31Å; R115-F146 HydrophobicContact CB-CE1 4.32Å; R115-F146 HydrophobicContact CG-CD1 4.42Å; R115-F146 HydrophobicContact CG-CE1 4.21Å; R115-D319 IonicContact CZ-OD1 3.5Å; R115-D319 IonicContact NH1-OD1 2.83Å; R115-D319 PolarHBondContact NH1-OD1 3.37Å; R115-F320 PolarHBondContact NH1-O 3.41Å; R115-P322 HydrophobicContact CB-CG 4.36Å
116	L	93.8	Very high	79.2	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.016	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.6	-175.7	80.3	105.4	0	0	0	110.6	E90 I94 L97 F114 H144 F145	E90-L116 HydrophobicContact CB-CD1 4.44Å; E90-L116 HydrophobicContact CG-CD1 4.03Å; I94-L116 HydrophobicContact CG1-CD2 3.9Å; L97-L116 HydrophobicContact CD1-CB 4.36Å; F114-L116 HydrophobicContact CD2-CB 4.47Å; F114-L116 HydrophobicContact CD2-CD2 4.25Å; F114-L116 HydrophobicContact CE2-CB 4.49Å; F114-L116 HydrophobicContact CE2-CD2 3.56Å; L116-H144 CarbonylContact O-C 3.55Å; L116-H144 WeakPolarHBondContact O-CA 3.42Å; L116-H144 WeakPolarHBondContact O-CB 3.15Å; L116-F145 HydrophobicContact CD1-CD2 4.14Å; L116-F145 HydrophobicContact CD2-CB 4.16Å; L116-F145 HydrophobicContact CG-CB 4.14Å; L116-F145 HydrophobicContact CG-CD2 4.44Å; L116-F145 PolarHBondContact N-O 3.5Å; L116-F145 PolarHBondContact O-N 3.25Å
117	R	91.1	Very high	78.6	Confident	99 Å²	99	63.5 Å²	63.5	37%	0.374	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	131.5	179.2	-172.6	-175.7	-63.5	-102.3	2.1	111.1	H144 E330	R117-H144 VanDerWaalsContact CA-CD2 3.49Å; R117-H144 WeakPolarHBondContact CA-CD2 3.42Å; R117-E330 VanDerWaalsContact CB-OE1 3.3Å; R117-E330 WeakPolarHBondContact CB-OE1 3.24Å; R117-E330 IonicContact CZ-OE1 2.68Å; R117-E330 IonicContact NE-OE1 3.51Å; R117-E330 PolarHBondContact NE-OE1 3.46Å; R117-E330 IonicContact NH2-OE1 3.7Å
118	Q	88.6	Confident	77.9	Confident	22 Å²	22	59.8 Å²	59.8	10%	0.103	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-65.8	138	173.3	-179.5	175.1	-38.7	0	0	110.5	R122 T142 A143 F145	Q118-R122 HydrophobicContact CG-CB 4.27Å; Q118-R122 PolarHBondContact NE2-O 2.99Å; Q118-T142 PolarHBondContact OE1-O 3.32Å; Q118-A143 WeakPolarHBondContact CB-O 3.42Å; Q118-A143 PolarHBondContact N-O 3.49Å; Q118-F145 HydrophobicContact CB-CD2 4.29Å; Q118-F145 HydrophobicContact CB-CE2 3.82Å; Q118-F145 HydrophobicContact CB-CZ 4.4Å; Q118-F145 HydrophobicContact CG-CE2 3.74Å; Q118-F145 HydrophobicContact CG-CZ 4.03Å
119	S	83.6	Confident	77.3	Confident	21 Å²	21	63.3 Å²	63.3	15%	0.147	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-67.3	145.4	176.5	-71	0	0	0	0	112	T87 E90	T87-S119 PolarHBondContact OG1-OG 3.23Å; E90-S119 PolarHBondContact OE1-N 2.77Å; E90-S119 VanDerWaalsContact OE1-N 3.11Å
120	V	71.9	Confident	77	Confident	158 Å²	158	60.1 Å²	60.1	96%	0.958	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	139.2	-179.8	-173.7	0	0	0	0	110.2
121	G	61.3	Low	76.7	Confident	68 Å²	68	60.9 Å²	60.9	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	102	-12.4	176.1	0	0	0	0	0	115.4	Q123	G121-Q123 PolarHBondContact O-N 3Å; G121-Q123 VanDerWaalsContact O-N 3.14Å
122	R	63.8	Low	76.1	Confident	63 Å²	63	64.8 Å²	64.8	24%	0.238	33%	0.334	C	S	.	.			trans	-75.8	98.9	169	-86.9	179.3	155.6	-133.8	-13	109.8	E61 K85 E90 Q118	E61-R122 IonicContact OE1-CZ 3.89Å; E61-R122 IonicContact OE1-NH1 3.43Å; E61-R122 PolarHBondContact OE1-NH1 3.31Å; E61-R122 IonicContact OE1-NH2 2.77Å; E61-R122 PolarHBondContact OE1-NH2 2.93Å; K85-R122 PolarHBondContact O-NH2 2.73Å; E90-R122 IonicContact OE2-NE 2.88Å; Q118-R122 HydrophobicContact CG-CB 4.27Å; Q118-R122 PolarHBondContact NE2-O 2.99Å
123	Q	53.4	Low	75.7	Confident	143 Å²	143	67 Å²	67	67%	0.668	35%	0.346	S	S	*	.			trans	-84.4	114.6	174.2	-75.2	173.5	-23.5	0	0	110.1	G121 F125	G121-Q123 PolarHBondContact O-N 3Å; G121-Q123 VanDerWaalsContact O-N 3.14Å; Q123-F125 HydrophobicContact CB-CD2 3.72Å; Q123-F125 HydrophobicContact CB-CE1 4.4Å; Q123-F125 HydrophobicContact CB-CE2 3.39Å; Q123-F125 HydrophobicContact CB-CG 4.4Å; Q123-F125 HydrophobicContact CB-CZ 3.82Å; Q123-F125 HydrophobicContact CG-CE2 4.28Å; Q123-F125 HydrophobicContact CG-CZ 4.28Å; Q123-F125 PolarHBondContact O-N 3Å
124	S	52.5	Low	75.3	Confident	66 Å²	66	66.9 Å²	66.9	46%	0.462	35%	0.346	S	S	.	.			trans	-83.5	91.7	166.4	-176.4	0	0	0	0	108.4	K126 R173	S124-K126 PolarHBondContact O-N 2.88Å; S124-R173 PolarHBondContact OG-NH1 3.33Å; S124-R173 VanDerWaalsContact OG-NH1 3.15Å
125	F	43	Very low	75	Confident	166 Å²	166	68.1 Å²	68.1	73%	0.728	35%	0.354	S	S	*	.			trans	-76.5	-4.5	-179.7	-72.8	-77.7	0	0	0	114.7	Q123 V127	Q123-F125 HydrophobicContact CB-CD2 3.72Å; Q123-F125 HydrophobicContact CB-CE1 4.4Å; Q123-F125 HydrophobicContact CB-CE2 3.39Å; Q123-F125 HydrophobicContact CB-CG 4.4Å; Q123-F125 HydrophobicContact CB-CZ 3.82Å; Q123-F125 HydrophobicContact CG-CE2 4.28Å; Q123-F125 HydrophobicContact CG-CZ 4.28Å; Q123-F125 PolarHBondContact O-N 3Å; F125-V127 PolarHBondContact O-N 3.18Å
126	K	53.6	Low	74.7	Confident	146 Å²	146	68.2 Å²	68.2	64%	0.635	36%	0.358	S	S	*	.	S	Bend	trans	-74.3	117.3	179.6	-71.3	-174.3	180	177.9	0	109.6	S57 S124 D128	S57-K126 PolarHBondContact OG-NZ 2.9Å; S124-K126 PolarHBondContact O-N 2.88Å; K126-D128 PolarHBondContact O-N 2.94Å; K126-D128 VanDerWaalsContact O-N 3.12Å
127	V	52.4	Low	74.6	Confident	90 Å²	90	70.5 Å²	70.5	55%	0.545	37%	0.372	S	S	.	.			trans	-57.4	113.5	168.3	-179.5	0	0	0	0	107.9	F125 I129 Q567	F125-V127 PolarHBondContact O-N 3.18Å; V127-I129 PolarHBondContact O-N 2.91Å; V127-Q567 HydrophobicContact CG1-CG 4.07Å
128	D	65.3	Low	74.6	Confident	40 Å²	40	66.1 Å²	66.1	21%	0.214	36%	0.356	C	S	.	.			trans	-87.4	77.8	-166.2	-155.6	0.5	0	0	0	111.2	K126 Y130 N131 R140	K126-D128 PolarHBondContact O-N 2.94Å; K126-D128 VanDerWaalsContact O-N 3.12Å; D128-Y130 PolarHBondContact O-N 2.95Å; D128-Y130 VanDerWaalsContact O-N 3.08Å; D128-N131 HydrophobicContact CB-CB 4.36Å; D128-N131 PolarHBondContact O-N 3.44Å; D128-N131 PolarHBondContact OD2-ND2 3.26Å; D128-R140 WeakPolarHBondContact OD1-CD 3.26Å; D128-R140 IonicContact OD1-CZ 3.62Å; D128-R140 IonicContact OD1-NE 3.93Å; D128-R140 IonicContact OD1-NH1 2.99Å; D128-R140 PolarHBondContact OD1-NH1 3.41Å; D128-R140 WeakPolarHBondContact OD2-CB 3.48Å; D128-R140 WeakPolarHBondContact OD2-CD 3.23Å; D128-R140 IonicContact OD2-NH1 3.91Å
129	I	75.9	Confident	74.8	Confident	100 Å²	100	66.7 Å²	66.7	51%	0.513	36%	0.359	S	S	.	.	H	α-helix	trans	-50.2	-34.6	177.8	-60.9	169.8	0	0	0	110.7	V127 N131 R132	V127-I129 PolarHBondContact O-N 2.91Å; I129-N131 PolarHBondContact O-N 3.45Å; I129-R132 VanDerWaalsContact O-CB 3.28Å; I129-R132 WeakPolarHBondContact O-CB 3.4Å; I129-R132 PolarHBondContact O-N 2.69Å
130	Y	86.6	Confident	75.1	Confident	11 Å²	11	68.1 Å²	68.1	4%	0.043	36%	0.361	C	S	.	.	H	α-helix	trans	-56.2	-47.1	176.3	169.6	-96.7	0	0	0	112.9	D128 R132 D133 A134 L138 R140 L174 Y176 P212 P214 I231	D128-Y130 PolarHBondContact O-N 2.95Å; D128-Y130 VanDerWaalsContact O-N 3.08Å; Y130-R132 PolarHBondContact O-N 3.43Å; Y130-R132 VanDerWaalsContact O-N 3.14Å; Y130-D133 PolarHBondContact O-N 3.44Å; Y130-A134 HydrophobicContact CD1-CB 4.07Å; Y130-A134 HydrophobicContact CD2-CB 4.36Å; Y130-A134 HydrophobicContact CE1-CB 3.55Å; Y130-A134 HydrophobicContact CE2-CB 3.87Å; Y130-A134 HydrophobicContact CG-CB 4.43Å; Y130-A134 VanDerWaalsContact CZ-CB 3.41Å; Y130-A134 VanDerWaalsContact O-CB 3.26Å; Y130-A134 WeakPolarHBondContact O-CB 3.31Å; Y130-A134 PolarHBondContact O-N 3.22Å; Y130-L138 WeakPolarHBondContact CE1-O 3.2Å; Y130-L138 PolarHBondContact OH-O 3.16Å; Y130-R140 HydrophobicContact CD1-CG 3.81Å; Y130-R140 HydrophobicContact CE1-CG 4Å; Y130-L174 HydrophobicContact CD1-CD2 4.23Å; Y130-L174 HydrophobicContact CE1-CD2 3.67Å; Y130-L174 HydrophobicContact CE2-CD2 4.35Å; Y130-Y176 WeakPolarHBondContact CE2-OH 3.2Å; Y130-Y176 PolarHBondContact OH-OH 3.16Å; Y130-P212 VanDerWaalsContact CD2-O 3.24Å; Y130-P212 WeakPolarHBondContact CD2-O 3.46Å; Y130-P214 HydrophobicContact CD2-CG 3.72Å; Y130-P214 HydrophobicContact CE2-CG 3.83Å; Y130-I231 HydrophobicContact CE2-CG2 4.02Å
131	N	88.5	Confident	75.8	Confident	31 Å²	31	62.4 Å²	62.4	17%	0.166	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-19.4	-175	-78.1	-15.6	0	0	0	113.8	D128 I129 Q139 R140 K234	D128-N131 HydrophobicContact CB-CB 4.36Å; D128-N131 PolarHBondContact O-N 3.44Å; D128-N131 PolarHBondContact OD2-ND2 3.26Å; I129-N131 PolarHBondContact O-N 3.45Å; N131-Q139 HydrophobicContact CB-CG 4.19Å; N131-Q139 PolarHBondContact O-NE2 3.04Å; N131-Q139 VanDerWaalsContact OD1-CA 3.24Å; N131-Q139 WeakPolarHBondContact OD1-CA 3.34Å; N131-Q139 WeakPolarHBondContact OD1-CB 3.15Å; N131-R140 PolarHBondContact OD1-N 2.98Å; N131-K234 PolarHBondContact O-NZ 3.36Å
132	R	83.5	Confident	76.8	Confident	112 Å²	112	64.2 Å²	64.2	42%	0.423	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-46.8	176.5	-171.9	-172.9	67.8	-163.6	-4.8	110.9	I129 Y130 K234	I129-R132 VanDerWaalsContact O-CB 3.28Å; I129-R132 WeakPolarHBondContact O-CB 3.4Å; I129-R132 PolarHBondContact O-N 2.69Å; Y130-R132 PolarHBondContact O-N 3.43Å; Y130-R132 VanDerWaalsContact O-N 3.14Å; R132-K234 WeakPolarHBondContact O-CD 3.38Å; R132-K234 WeakPolarHBondContact O-CE 3.09Å; R132-K234 PolarHBondContact O-NZ 3.22Å
133	D	87.8	Confident	78	Confident	48 Å²	48	63.5 Å²	63.5	26%	0.257	33%	0.329	S	S	.	.	H	α-helix	trans	-107.8	-11.6	-171.1	-55.4	-33.1	0	0	0	112.7	Y130 P214 S233 K234	Y130-D133 PolarHBondContact O-N 3.44Å; D133-P214 HydrophobicContact CB-CB 3.82Å; D133-P214 HydrophobicContact CB-CG 3.97Å; D133-S233 CarbonylContact O-C 3.5Å; D133-S233 WeakPolarHBondContact O-CA 3.47Å; D133-K234 WeakPolarHBondContact O-CG 3.32Å; D133-K234 PolarHBondContact O-N 3.37Å
134	A	90.5	Very high	79.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-75.9	139.8	177.3	0	0	0	0	0	113.1	Y130 Q139 P214 K234	Y130-A134 HydrophobicContact CD1-CB 4.07Å; Y130-A134 HydrophobicContact CD2-CB 4.36Å; Y130-A134 HydrophobicContact CE1-CB 3.55Å; Y130-A134 HydrophobicContact CE2-CB 3.87Å; Y130-A134 HydrophobicContact CG-CB 4.43Å; Y130-A134 VanDerWaalsContact CZ-CB 3.41Å; Y130-A134 VanDerWaalsContact O-CB 3.26Å; Y130-A134 WeakPolarHBondContact O-CB 3.31Å; Y130-A134 PolarHBondContact O-N 3.22Å; A134-Q139 HydrophobicContact CB-CG 4.48Å; A134-P214 HydrophobicContact CB-CG 3.95Å; A134-K234 WeakPolarHBondContact O-CE 3.42Å; A134-K234 WeakPolarHBondContact O-CG 3.4Å
135	P	91.6	Very high	81.9	Confident	26 Å²	26	54.3 Å²	54.3	17%	0.169	28%	0.279	C	S	.	.			trans	-50.2	144.1	173.7	-28	35.4	0	0	0	112.5	T137 L138 Q139 P232	P135-T137 PolarHBondContact O-N 2.86Å; P135-L138 HydrophobicContact CB-CB 4.48Å; P135-L138 HydrophobicContact CG-CD1 4.34Å; P135-L138 CarbonylContact O-C 3.46Å; P135-L138 WeakPolarHBondContact O-CA 3.39Å; P135-L138 PolarHBondContact O-N 2.9Å; P135-Q139 PolarHBondContact O-N 3.48Å; P135-Q139 VanDerWaalsContact O-N 3.15Å; P135-P232 WeakPolarHBondContact CD-O 3.3Å; P135-P232 HydrophobicContact CG-CB 3.99Å
136	A	89.6	Confident	84.5	Confident	20 Å²	20	46.5 Å²	46.5	17%	0.165	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.6	-174.1	0	0	0	0	0	113.8	L138 K315	A136-L138 VanDerWaalsContact C-N 3.34Å; A136-K315 HydrophobicContact CB-CB 4.32Å; A136-K315 WeakPolarHBondContact O-CD 3.25Å; A136-K315 WeakPolarHBondContact O-CE 3.44Å
137	T	91.4	Very high	86.7	Confident	50 Å²	50	39.6 Å²	39.6	31%	0.307	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.5	177	51.8	0	0	0	0	114	P135	P135-T137 PolarHBondContact O-N 2.86Å
138	L	92.6	Very high	88.9	Confident	8 Å²	8	35.3 Å²	35.3	4%	0.042	19%	0.188	C	C	.	.	S	Bend	trans	-118.4	9.1	-176.7	-59.9	179.6	0	0	0	113.5	Y130 P135 A136 P175 P232 H262	Y130-L138 WeakPolarHBondContact CE1-O 3.2Å; Y130-L138 PolarHBondContact OH-O 3.16Å; P135-L138 HydrophobicContact CB-CB 4.48Å; P135-L138 HydrophobicContact CG-CD1 4.34Å; P135-L138 CarbonylContact O-C 3.46Å; P135-L138 WeakPolarHBondContact O-CA 3.39Å; P135-L138 PolarHBondContact O-N 2.9Å; A136-L138 VanDerWaalsContact C-N 3.34Å; L138-P175 HydrophobicContact CD2-CG 4.04Å; L138-P232 HydrophobicContact CD1-CB 3.92Å; L138-P232 HydrophobicContact CD1-CG 3.76Å; L138-H262 HydrophobicContact CD2-CB 3.76Å
139	Q	91.8	Very high	90.4	Very high	34 Å²	34	33.4 Å²	33.4	16%	0.159	18%	0.178	C	C	.	.	S	Bend	trans	-62.5	147.9	170.9	-73.8	177.8	-21.9	0	0	110.5	N131 A134 P135 E141	N131-Q139 HydrophobicContact CB-CG 4.19Å; N131-Q139 PolarHBondContact O-NE2 3.04Å; N131-Q139 VanDerWaalsContact OD1-CA 3.24Å; N131-Q139 WeakPolarHBondContact OD1-CA 3.34Å; N131-Q139 WeakPolarHBondContact OD1-CB 3.15Å; A134-Q139 HydrophobicContact CB-CG 4.48Å; P135-Q139 PolarHBondContact O-N 3.48Å; P135-Q139 VanDerWaalsContact O-N 3.15Å; Q139-E141 PolarHBondContact O-N 3.39Å
140	R	89.9	Confident	91.5	Very high	51 Å²	51	29.4 Å²	29.4	19%	0.192	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-59.4	133.8	175.5	-77.1	167.7	167	177.8	-1.6	110.5	S58 D128 Y130 N131 R173 L174	S58-R140 PolarHBondContact O-NH2 2.56Å; D128-R140 WeakPolarHBondContact OD1-CD 3.26Å; D128-R140 IonicContact OD1-CZ 3.62Å; D128-R140 IonicContact OD1-NE 3.93Å; D128-R140 IonicContact OD1-NH1 2.99Å; D128-R140 PolarHBondContact OD1-NH1 3.41Å; D128-R140 WeakPolarHBondContact OD2-CB 3.48Å; D128-R140 WeakPolarHBondContact OD2-CD 3.23Å; D128-R140 IonicContact OD2-NH1 3.91Å; Y130-R140 HydrophobicContact CD1-CG 3.81Å; Y130-R140 HydrophobicContact CE1-CG 4Å; N131-R140 PolarHBondContact OD1-N 2.98Å; R140-R173 WeakPolarHBondContact CA-O 3.26Å; R140-R173 HydrophobicContact CB-CB 4.29Å; R140-R173 HydrophobicContact CG-CB 4.36Å; R140-L174 HydrophobicContact CG-CD2 3.49Å; R140-L174 VanDerWaalsContact CG-CD2 3.49Å; R140-L174 HydrophobicContact CG-CG 4.14Å
141	E	85.6	Confident	91.9	Very high	37 Å²	37	29 Å²	29	17%	0.173	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-80.2	129.3	174.8	-69.5	-156.4	-168.4	0	0	111.1	R115 Q139 H144 F146 R173	R115-E141 IonicContact CZ-OE1 2.86Å; R115-E141 IonicContact CZ-OE2 3.75Å; R115-E141 IonicContact NE-OE1 2.88Å; R115-E141 PolarHBondContact NE-OE1 3.3Å; R115-E141 IonicContact NE-OE2 3.24Å; R115-E141 PolarHBondContact NE-OE2 3.43Å; R115-E141 IonicContact NH2-OE1 3.92Å; R115-E141 PolarHBondContact NH2-OE1 3Å; R115-E141 IonicContact NH2-OE2 2.74Å; R115-E141 PolarHBondContact NH2-OE2 2.85Å; Q139-E141 PolarHBondContact O-N 3.39Å; E141-H144 WeakPolarHBondContact CB-O 3.46Å; E141-H144 WeakPolarHBondContact OE2-CB 3.36Å; E141-H144 IonicContact OE2-CG 3.34Å; E141-H144 IonicContact OE2-ND1 3.53Å; E141-F146 HydrophobicContact CB-CE2 4.49Å; E141-F146 VanDerWaalsContact CD-CE2 3.48Å; E141-F146 HydrophobicContact CG-CE2 3.85Å; E141-F146 WeakPolarHBondContact OE1-CE2 3.33Å; E141-F146 WeakPolarHBondContact OE1-CZ 3.47Å; E141-R173 PolarHBondContact N-O 3.11Å; E141-R173 WeakPolarHBondContact O-CD 3.25Å; E141-R173 WeakPolarHBondContact O-CG 3.37Å
142	T	84.2	Confident	92.2	Very high	106 Å²	106	29.2 Å²	29.2	65%	0.65	15%	0.154	S	C	*	.	S	Bend	trans	-94.2	-22.8	-179.6	54	0	0	0	0	113.1	Q118	Q118-T142 PolarHBondContact OE1-O 3.32Å
143	A	89.1	Confident	92.5	Very high	48 Å²	48	24.9 Å²	24.9	40%	0.397	14%	0.138	S	C	.	.	S	Bend	trans	-104.9	-12.5	-175	0	0	0	0	0	113.5	Q118	Q118-A143 WeakPolarHBondContact CB-O 3.42Å; Q118-A143 PolarHBondContact N-O 3.49Å
144	H	92.8	Very high	92.7	Very high	13 Å²	13	25.5 Å²	25.5	6%	0.06	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	157	-177.5	-55.3	82.6	0	0	0	111.1	R115 L116 R117 E141 D319	R115-H144 HydrophobicContact CG-CB 3.84Å; R115-H144 PolarHBondContact NH2-ND1 3.29Å; L116-H144 CarbonylContact O-C 3.55Å; L116-H144 WeakPolarHBondContact O-CA 3.42Å; L116-H144 WeakPolarHBondContact O-CB 3.15Å; R117-H144 VanDerWaalsContact CA-CD2 3.49Å; R117-H144 WeakPolarHBondContact CA-CD2 3.42Å; E141-H144 WeakPolarHBondContact CB-O 3.46Å; E141-H144 WeakPolarHBondContact OE2-CB 3.36Å; E141-H144 IonicContact OE2-CG 3.34Å; E141-H144 IonicContact OE2-ND1 3.53Å; H144-D319 IonicContact NE2-OD1 3.28Å
145	F	94.9	Very high	92.6	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.013	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	149	166.6	-59.2	-70.8	0	0	0	110.1	E61 R115 L116 Q118 V171 R173	E61-F145 HydrophobicContact CB-CD1 4.46Å; E61-F145 HydrophobicContact CB-CE1 4.24Å; E61-F145 HydrophobicContact CG-CE1 3.95Å; E61-F145 HydrophobicContact CG-CZ 4.27Å; R115-F145 CarbonylContact C-O 3.53Å; R115-F145 WeakPolarHBondContact CA-O 3.37Å; L116-F145 HydrophobicContact CD1-CD2 4.14Å; L116-F145 HydrophobicContact CD2-CB 4.16Å; L116-F145 HydrophobicContact CG-CB 4.14Å; L116-F145 HydrophobicContact CG-CD2 4.44Å; L116-F145 PolarHBondContact N-O 3.5Å; L116-F145 PolarHBondContact O-N 3.25Å; Q118-F145 HydrophobicContact CB-CD2 4.29Å; Q118-F145 HydrophobicContact CB-CE2 3.82Å; Q118-F145 HydrophobicContact CB-CZ 4.4Å; Q118-F145 HydrophobicContact CG-CE2 3.74Å; Q118-F145 HydrophobicContact CG-CZ 4.03Å; F145-V171 HydrophobicContact CB-CG1 3.74Å; F145-V171 HydrophobicContact CD1-CG1 4.29Å; F145-V171 HydrophobicContact CG-CG1 4.04Å; F145-R173 HydrophobicContact CD1-CG 3.75Å; F145-R173 HydrophobicContact CE1-CG 3.77Å
146	F	97.6	Very high	92.3	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.4	164.3	-68.7	-85.4	0	0	0	109.3	T113 F114 R115 E141 Y148 V171 S172 P175 L305 F320	T113-F146 HydrophobicContact CG2-CD1 4.12Å; F114-F146 WeakPolarHBondContact O-CA 3.48Å; R115-F146 HydrophobicContact CB-CD1 4.31Å; R115-F146 HydrophobicContact CB-CE1 4.32Å; R115-F146 HydrophobicContact CG-CD1 4.42Å; R115-F146 HydrophobicContact CG-CE1 4.21Å; E141-F146 HydrophobicContact CB-CE2 4.49Å; E141-F146 VanDerWaalsContact CD-CE2 3.48Å; E141-F146 HydrophobicContact CG-CE2 3.85Å; E141-F146 WeakPolarHBondContact OE1-CE2 3.33Å; E141-F146 WeakPolarHBondContact OE1-CZ 3.47Å; F146-Y148 HydrophobicContact CB-CE1 4.42Å; F146-Y148 HydrophobicContact CB-CE2 3.76Å; F146-V171 CarbonylContact O-C 3.54Å; F146-V171 WeakPolarHBondContact O-CA 3.47Å; F146-S172 PolarHBondContact N-O 3.2Å; F146-S172 PolarHBondContact O-N 2.99Å; F146-P175 HydrophobicContact CD2-CB 4.4Å; F146-P175 HydrophobicContact CE2-CB 3.88Å; F146-P175 HydrophobicContact CZ-CB 4.11Å; F146-L305 HydrophobicContact CE1-CD2 4.48Å; F146-F320 HydrophobicContact CE1-CE2 4.15Å; F146-F320 HydrophobicContact CE1-CZ 4.15Å; F146-F320 HydrophobicContact CZ-CZ 4.05Å
147	G	98.1	Very high	92.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.9	168.1	0	0	0	0	0	109.5	T113 F114	T113-G147 CarbonylContact C-O 3.5Å; T113-G147 WeakPolarHBondContact CA-O 3.29Å; F114-G147 PolarHBondContact N-O 2.88Å; F114-G147 PolarHBondContact O-N 2.73Å
148	Y	98.6	Very high	91.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121	172.9	-55.8	-77	0	0	0	108.3	T113 F146 V169 L170 L174 P175 Y176 T177 F180 H181 L184	T113-Y148 HydrophobicContact CG2-CD1 3.72Å; T113-Y148 HydrophobicContact CG2-CE1 3.61Å; F146-Y148 HydrophobicContact CB-CE1 4.42Å; F146-Y148 HydrophobicContact CB-CE2 3.76Å; Y148-V169 CarbonylContact O-C 3.49Å; Y148-V169 VanDerWaalsContact O-CA 3.25Å; Y148-V169 WeakPolarHBondContact O-CA 3.39Å; Y148-L170 HydrophobicContact CD2-CB 4.43Å; Y148-L170 WeakPolarHBondContact CD2-O 3.35Å; Y148-L170 PolarHBondContact N-O 3.03Å; Y148-L170 PolarHBondContact O-N 3.11Å; Y148-L174 PolarHBondContact OH-O 3.33Å; Y148-P175 WeakPolarHBondContact OH-CA 3.39Å; Y148-Y176 PolarHBondContact OH-N 2.89Å; Y148-T177 HydrophobicContact CE1-CG2 4.22Å; Y148-F180 HydrophobicContact CD1-CB 4.14Å; Y148-F180 HydrophobicContact CD2-CB 3.55Å; Y148-F180 AromaticContact CD2-CD2 3.63Å; Y148-F180 HydrophobicContact CD2-CD2 3.63Å; Y148-F180 AromaticContact CD2-CG 3.78Å; Y148-F180 HydrophobicContact CD2-CG 3.78Å; Y148-F180 HydrophobicContact CE1-CD2 4.47Å; Y148-F180 HydrophobicContact CE2-CB 3.98Å; Y148-F180 AromaticContact CE2-CD2 3.18Å; Y148-F180 HydrophobicContact CE2-CD2 3.18Å; Y148-F180 AromaticContact CE2-CE2 3.86Å; Y148-F180 HydrophobicContact CE2-CE2 3.86Å; Y148-F180 AromaticContact CE2-CG 3.85Å; Y148-F180 HydrophobicContact CE2-CG 3.85Å; Y148-F180 HydrophobicContact CG-CB 3.63Å; Y148-F180 HydrophobicContact CG-CD2 4.42Å; Y148-F180 HydrophobicContact CG-CG 4.36Å; Y148-F180 AromaticContact CZ-CD2 3.66Å; Y148-H181 AromaticContact CD1-NE2 3.79Å; Y148-L184 VanDerWaalsContact O-CD1 3.32Å; Y148-L184 WeakPolarHBondContact O-CD1 3.19Å
149	V	98.3	Very high	91.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.6	-169.5	-174.1	0	0	0	0	110.5	Q111 F112 F114 F151 V169	Q111-V149 VanDerWaalsContact CA-O 3.26Å; Q111-V149 WeakPolarHBondContact CA-O 3.44Å; F112-V149 HydrophobicContact CD1-CB 4.16Å; F112-V149 HydrophobicContact CD1-CG1 4.29Å; F112-V149 HydrophobicContact CD2-CB 4.28Å; F112-V149 HydrophobicContact CD2-CG2 4.28Å; F112-V149 HydrophobicContact CE1-CB 3.94Å; F112-V149 HydrophobicContact CE1-CG1 3.63Å; F112-V149 HydrophobicContact CE2-CB 4.07Å; F112-V149 HydrophobicContact CE2-CG1 4.28Å; F112-V149 HydrophobicContact CE2-CG2 3.92Å; F112-V149 HydrophobicContact CG-CB 4.33Å; F112-V149 HydrophobicContact CZ-CB 3.9Å; F112-V149 HydrophobicContact CZ-CG1 3.63Å; F112-V149 HydrophobicContact CZ-CG2 4.1Å; F112-V149 PolarHBondContact N-O 2.89Å; F112-V149 PolarHBondContact O-N 2.86Å; F114-V149 HydrophobicContact CD1-CG2 3.49Å; F114-V149 VanDerWaalsContact CD1-CG2 3.49Å; F114-V149 HydrophobicContact CE1-CG2 3.31Å; V149-F151 HydrophobicContact CG1-CB 4.25Å; V149-V169 HydrophobicContact CG2-CG1 4.27Å; V149-V169 HydrophobicContact CG2-CG2 4.37Å
150	Y	97.9	Very high	90.5	Very high	17 Å²	17	52.2 Å²	52.2	7%	0.067	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	108.8	157.9	-168.4	-68.5	0	0	0	108.3	D109 Q111 S167 L168 L184 A188 F192	D109-Y150 HydrophobicContact CB-CE1 3.78Å; D109-Y150 WeakPolarHBondContact CB-OH 3.18Å; D109-Y150 PolarHBondContact OD2-OH 2.81Å; Q111-Y150 HydrophobicContact CG-CD2 3.71Å; Q111-Y150 HydrophobicContact CG-CE2 4.3Å; Q111-Y150 HydrophobicContact CG-CG 4.31Å; Y150-S167 CarbonylContact O-C 3.55Å; Y150-S167 VanDerWaalsContact O-CA 3.28Å; Y150-S167 WeakPolarHBondContact O-CA 3.34Å; Y150-L168 PolarHBondContact N-O 3.38Å; Y150-L168 PolarHBondContact O-N 2.88Å; Y150-L184 HydrophobicContact CD2-CB 4.39Å; Y150-A188 HydrophobicContact CD1-CB 3.55Å; Y150-A188 HydrophobicContact CD2-CB 3.72Å; Y150-A188 HydrophobicContact CE1-CB 3.98Å; Y150-A188 HydrophobicContact CE2-CB 4.13Å; Y150-A188 HydrophobicContact CG-CB 3.41Å; Y150-A188 VanDerWaalsContact CG-CB 3.41Å; Y150-F192 AromaticContact CD1-CE2 3.76Å; Y150-F192 HydrophobicContact CD1-CE2 3.76Å; Y150-F192 HydrophobicContact CD1-CZ 4.19Å; Y150-F192 AromaticContact CE1-CE2 3.77Å; Y150-F192 HydrophobicContact CE1-CE2 3.77Å
151	F	96	Very high	90	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.7	178.5	171.4	-111.4	0	0	0	110.1	F99 P100 C106 D109 T110 F112 V149 Q153 Q165 S167	F99-F151 HydrophobicContact CD1-CD2 4.29Å; F99-F151 AromaticContact CD1-CE2 3.55Å; F99-F151 HydrophobicContact CD1-CE2 3.55Å; F99-F151 HydrophobicContact CD1-CZ 4.22Å; F99-F151 HydrophobicContact CE1-CD2 4.38Å; F99-F151 AromaticContact CE1-CE2 3.63Å; F99-F151 HydrophobicContact CE1-CE2 3.63Å; F99-F151 HydrophobicContact CG-CE2 4.29Å; F99-F151 HydrophobicContact CZ-CE2 4.37Å; P100-F151 HydrophobicContact CG-CD1 3.67Å; P100-F151 HydrophobicContact CG-CE1 3.7Å; P100-F151 HydrophobicContact CG-CG 4.37Å; P100-F151 HydrophobicContact CG-CZ 4.41Å; C106-F151 HydrophobicContact CB-CE1 4.34Å; D109-F151 CarbonylContact C-O 3.59Å; D109-F151 WeakPolarHBondContact CA-O 3.14Å; T110-F151 PolarHBondContact N-O 3.22Å; T110-F151 PolarHBondContact O-N 2.86Å; F112-F151 HydrophobicContact CE1-CB 4.06Å; V149-F151 HydrophobicContact CG1-CB 4.25Å; F151-Q153 HydrophobicContact CE1-CB 3.61Å; F151-Q153 HydrophobicContact CZ-CB 3.71Å; F151-Q165 HydrophobicContact CE2-CB 4.04Å; F151-Q165 HydrophobicContact CE2-CG 4.33Å; F151-Q165 HydrophobicContact CZ-CB 4.32Å; F151-Q165 HydrophobicContact CZ-CG 4.1Å; F151-S167 VanDerWaalsContact CD2-OG 3.23Å; F151-S167 WeakPolarHBondContact CD2-OG 3.34Å
152	R	93.6	Very high	89.8	Confident	36 Å²	36	53.1 Å²	53.1	14%	0.136	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.4	173.1	175.2	165.5	-73.4	176.9	-0.2	109.9	D109 V154 F164 Q165 K166 F192	D109-R152 WeakPolarHBondContact OD1-CB 3.22Å; D109-R152 WeakPolarHBondContact OD1-CG 3.17Å; D109-R152 IonicContact OD1-CZ 3.8Å; D109-R152 IonicContact OD1-NE 3.72Å; D109-R152 PolarHBondContact OD1-NE 2.85Å; D109-R152 IonicContact OD1-NH2 3Å; D109-R152 PolarHBondContact OD1-NH2 2.76Å; D109-R152 IonicContact OD2-CZ 2.74Å; D109-R152 IonicContact OD2-NE 3.46Å; D109-R152 IonicContact OD2-NH2 3.56Å; D109-R152 PolarHBondContact OD2-NH2 2.97Å; R152-V154 HydrophobicContact CG-CG1 4.03Å; R152-F164 HydrophobicContact CB-CE1 4.43Å; R152-F164 HydrophobicContact CG-CD1 4.14Å; R152-F164 HydrophobicContact CG-CE1 4.12Å; R152-Q165 WeakPolarHBondContact O-CA 3.27Å; R152-K166 PolarHBondContact N-O 3.31Å; R152-K166 PolarHBondContact O-N 3.35Å; R152-K166 VanDerWaalsContact O-N 3.13Å; R152-F192 HydrophobicContact CB-CD2 4.26Å; R152-F192 HydrophobicContact CB-CE2 3.7Å; R152-F192 HydrophobicContact CB-CZ 4.03Å
153	Q	91.5	Very high	89.8	Confident	22 Å²	22	51.8 Å²	51.8	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	108.1	167.7	177.7	170.8	1.4	0	0	111.1	G108 F151 Y163 F164 Q165	G108-Q153 PolarHBondContact N-O 3.47Å; G108-Q153 PolarHBondContact O-N 3.35Å; F151-Q153 HydrophobicContact CE1-CB 3.61Å; F151-Q153 HydrophobicContact CZ-CB 3.71Å; Q153-Y163 HydrophobicContact CG-CD1 4.09Å; Q153-F164 VanDerWaalsContact CA-O 3.28Å; Q153-F164 WeakPolarHBondContact CA-O 3.46Å; Q153-Q165 HydrophobicContact CB-CG 4.15Å; Q153-Q165 HydrophobicContact CG-CG 3.86Å
154	V	90.7	Very high	89.7	Confident	60 Å²	60	52.3 Å²	52.3	36%	0.364	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.1	177.1	-63.5	0	0	0	0	110.2	R152 D156 Y163 F164	R152-V154 HydrophobicContact CG-CG1 4.03Å; V154-D156 PolarHBondContact O-N 2.94Å; V154-Y163 CarbonylContact O-C 3.53Å; V154-Y163 VanDerWaalsContact O-CA 3.23Å; V154-Y163 WeakPolarHBondContact O-CA 3.37Å; V154-F164 HydrophobicContact CG2-CB 3.8Å; V154-F164 HydrophobicContact CG2-CD1 4.02Å; V154-F164 HydrophobicContact CG2-CG 4.3Å; V154-F164 PolarHBondContact N-O 3.02Å; V154-F164 VanDerWaalsContact N-O 3.09Å; V154-F164 PolarHBondContact O-N 2.95Å
155	K	87.8	Confident	89.6	Confident	155 Å²	155	52.7 Å²	52.7	67%	0.674	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	129.5	172.7	-75.9	-177.6	179	-177.7	0	108.4	G162 Y163	K155-G162 WeakPolarHBondContact CA-O 3.22Å; K155-Y163 HydrophobicContact CB-CE1 4.42Å; K155-Y163 HydrophobicContact CD-CE1 4.43Å; K155-Y163 HydrophobicContact CG-CD1 3.91Å; K155-Y163 HydrophobicContact CG-CE1 3.38Å
156	D	85.4	Confident	89.5	Confident	45 Å²	45	53.1 Å²	53.1	24%	0.241	27%	0.271	C	S	.	.			trans	-140.1	110.2	176.5	-171.9	-15	0	0	0	108.4	V154 S158 V159 G162 F164	V154-D156 PolarHBondContact O-N 2.94Å; D156-S158 VanDerWaalsContact CG-OG 3.26Å; D156-S158 PolarHBondContact O-N 3.47Å; D156-S158 VanDerWaalsContact OD1-CB 3.3Å; D156-S158 WeakPolarHBondContact OD1-CB 3.19Å; D156-S158 PolarHBondContact OD1-N 3.34Å; D156-S158 PolarHBondContact OD1-OG 2.9Å; D156-S158 PolarHBondContact OD2-OG 3.05Å; D156-V159 HydrophobicContact CB-CG2 4.13Å; D156-V159 PolarHBondContact O-N 3.47Å; D156-G162 PolarHBondContact N-O 3.16Å; D156-G162 CarbonylContact O-C 3.57Å; D156-G162 WeakPolarHBondContact O-CA 3.42Å; D156-F164 HydrophobicContact CB-CB 3.98Å
157	V	86.1	Confident	89.5	Confident	148 Å²	148	53 Å²	53	90%	0.897	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-16.7	-178.3	-63.5	0	0	0	0	112.5	V159	V157-V159 VanDerWaalsContact C-N 3.31Å
158	S	82.8	Confident	89.5	Confident	100 Å²	100	53 Å²	53	70%	0.699	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-22.3	177.3	74.8	0	0	0	0	112.4	D156	D156-S158 VanDerWaalsContact CG-OG 3.26Å; D156-S158 PolarHBondContact O-N 3.47Å; D156-S158 VanDerWaalsContact OD1-CB 3.3Å; D156-S158 WeakPolarHBondContact OD1-CB 3.19Å; D156-S158 PolarHBondContact OD1-N 3.34Å; D156-S158 PolarHBondContact OD1-OG 2.9Å; D156-S158 PolarHBondContact OD2-OG 3.05Å
159	V	82	Confident	89.5	Confident	53 Å²	53	53 Å²	53	32%	0.321	27%	0.27	S	S	.	.	S	Bend	trans	-91.3	134	179	-177.3	0	0	0	0	109.4	D156 V157 R161 G162	D156-V159 HydrophobicContact CB-CG2 4.13Å; D156-V159 PolarHBondContact O-N 3.47Å; V157-V159 VanDerWaalsContact C-N 3.31Å; V159-R161 HydrophobicContact CG1-CB 4.48Å; V159-R161 PolarHBondContact O-N 3.25Å; V159-G162 PolarHBondContact O-N 2.93Å
160	K	78.4	Confident	89.5	Confident	199 Å²	199	53 Å²	53	87%	0.865	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-29	-178.1	-67.4	-177.4	-179.2	174.7	0	114.3	L70	L70-K160 HydrophobicContact CD1-CB 4.14Å; L70-K160 HydrophobicContact CD1-CD 3.97Å; L70-K160 HydrophobicContact CD1-CG 4.49Å
161	R	78.5	Confident	89.5	Confident	78 Å²	78	52.2 Å²	52.2	29%	0.294	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.1	-179.5	-164.4	166.9	176.5	-134.3	-6.3	113.8	F68 L70 Y103 V159 Y163	F68-R161 VanDerWaalsContact CD1-NH1 3.28Å; L70-R161 HydrophobicContact CD2-CB 4.33Å; Y103-R161 PolarHBondContact OH-NH2 3.42Å; V159-R161 HydrophobicContact CG1-CB 4.48Å; V159-R161 PolarHBondContact O-N 3.25Å; R161-Y163 PolarHBondContact O-N 3.49Å
162	G	82.3	Confident	89.5	Confident	28 Å²	28	52.3 Å²	52.3	29%	0.289	27%	0.268	S	S	.	.	S	Bend	trans	77.4	2.5	-178.9	0	0	0	0	0	114.8	K155 D156 V159	K155-G162 WeakPolarHBondContact CA-O 3.22Å; D156-G162 PolarHBondContact N-O 3.16Å; D156-G162 CarbonylContact O-C 3.57Å; D156-G162 WeakPolarHBondContact O-CA 3.42Å; V159-G162 PolarHBondContact O-N 2.93Å
163	Y	84.1	Confident	89.5	Confident	79 Å²	79	52.8 Å²	52.8	31%	0.31	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	133.8	-179.9	-65.1	-88.4	0	0	0	111.2	L107 Q153 V154 K155 R161	L107-Y163 HydrophobicContact CD2-CD1 4.24Å; L107-Y163 HydrophobicContact CD2-CE1 3.6Å; Q153-Y163 HydrophobicContact CG-CD1 4.09Å; V154-Y163 CarbonylContact O-C 3.53Å; V154-Y163 VanDerWaalsContact O-CA 3.23Å; V154-Y163 WeakPolarHBondContact O-CA 3.37Å; K155-Y163 HydrophobicContact CB-CE1 4.42Å; K155-Y163 HydrophobicContact CD-CE1 4.43Å; K155-Y163 HydrophobicContact CG-CD1 3.91Å; K155-Y163 HydrophobicContact CG-CE1 3.38Å; R161-Y163 PolarHBondContact O-N 3.49Å
164	F	86.6	Confident	89.6	Confident	58 Å²	58	51.8 Å²	51.8	25%	0.254	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.8	161.6	173.7	-93	0	0	0	108.6	R152 Q153 V154 D156 K166 F192	R152-F164 HydrophobicContact CB-CE1 4.43Å; R152-F164 HydrophobicContact CG-CD1 4.14Å; R152-F164 HydrophobicContact CG-CE1 4.12Å; Q153-F164 VanDerWaalsContact CA-O 3.28Å; Q153-F164 WeakPolarHBondContact CA-O 3.46Å; V154-F164 HydrophobicContact CG2-CB 3.8Å; V154-F164 HydrophobicContact CG2-CD1 4.02Å; V154-F164 HydrophobicContact CG2-CG 4.3Å; V154-F164 PolarHBondContact N-O 3.02Å; V154-F164 VanDerWaalsContact N-O 3.09Å; V154-F164 PolarHBondContact O-N 2.95Å; D156-F164 HydrophobicContact CB-CB 3.98Å; F164-K166 HydrophobicContact CE1-CB 3.7Å; F164-K166 HydrophobicContact CE2-CB 4.33Å; F164-K166 HydrophobicContact CE2-CD 4.33Å; F164-K166 HydrophobicContact CZ-CB 3.54Å; F164-K166 HydrophobicContact CZ-CD 3.81Å; F164-K166 HydrophobicContact CZ-CG 4.3Å; F164-F192 HydrophobicContact CE1-CD1 4.45Å; F164-F192 HydrophobicContact CZ-CD1 4.3Å
165	Q	90.4	Very high	89.8	Confident	21 Å²	21	49.7 Å²	49.7	10%	0.098	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	118.2	176.8	-69.2	-171.3	-45.3	0	0	110.8	F68 F99 F151 R152 Q153	F68-Q165 HydrophobicContact CB-CB 4.42Å; F99-Q165 HydrophobicContact CE1-CB 3.91Å; F151-Q165 HydrophobicContact CE2-CB 4.04Å; F151-Q165 HydrophobicContact CE2-CG 4.33Å; F151-Q165 HydrophobicContact CZ-CB 4.32Å; F151-Q165 HydrophobicContact CZ-CG 4.1Å; R152-Q165 WeakPolarHBondContact O-CA 3.27Å; Q153-Q165 HydrophobicContact CB-CG 4.15Å; Q153-Q165 HydrophobicContact CG-CG 3.86Å
166	K	93.6	Very high	90.2	Very high	13 Å²	13	42.3 Å²	42.3	6%	0.057	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.2	-179	-163.8	161.2	-172.2	162.9	0	110.5	V65 V66 T67 E77 R152 F164 F192	V65-K166 HydrophobicContact CG1-CD 4.24Å; V65-K166 HydrophobicContact CG1-CG 4.24Å; V66-K166 WeakPolarHBondContact O-CA 2.94Å; T67-K166 HydrophobicContact CG2-CB 4.15Å; T67-K166 HydrophobicContact CG2-CD 3.52Å; T67-K166 HydrophobicContact CG2-CG 3.5Å; E77-K166 IonicContact OE1-NZ 2.79Å; E77-K166 PolarHBondContact OE1-NZ 3.05Å; E77-K166 VanDerWaalsContact OE2-CE 3.23Å; E77-K166 WeakPolarHBondContact OE2-CE 3.24Å; E77-K166 IonicContact OE2-NZ 3.98Å; E77-K166 PolarHBondContact OE2-NZ 3.08Å; R152-K166 PolarHBondContact N-O 3.31Å; R152-K166 PolarHBondContact O-N 3.35Å; R152-K166 VanDerWaalsContact O-N 3.13Å; F164-K166 HydrophobicContact CE1-CB 3.7Å; F164-K166 HydrophobicContact CE2-CB 4.33Å; F164-K166 HydrophobicContact CE2-CD 4.33Å; F164-K166 HydrophobicContact CZ-CB 3.54Å; F164-K166 HydrophobicContact CZ-CD 3.81Å; F164-K166 HydrophobicContact CZ-CG 4.3Å; K166-F192 HydrophobicContact CB-CD1 4.37Å; K166-F192 HydrophobicContact CB-CE1 3.86Å; K166-F192 HydrophobicContact CD-CD1 4.13Å; K166-F192 HydrophobicContact CD-CE1 4.13Å; K166-F192 HydrophobicContact CG-CD1 4.29Å; K166-F192 HydrophobicContact CG-CE1 3.78Å
167	S	96.8	Very high	90.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.6	176.2	-68.8	0	0	0	0	111	V65 V66 S98 Y150 F151	V65-S167 WeakPolarHBondContact CA-O 3.42Å; V66-S167 PolarHBondContact N-O 3.45Å; V66-S167 PolarHBondContact O-N 2.82Å; S98-S167 PolarHBondContact O-OG 2.78Å; Y150-S167 CarbonylContact O-C 3.55Å; Y150-S167 VanDerWaalsContact O-CA 3.28Å; Y150-S167 WeakPolarHBondContact O-CA 3.34Å; F151-S167 VanDerWaalsContact CD2-OG 3.23Å; F151-S167 WeakPolarHBondContact CD2-OG 3.34Å
168	L	98	Very high	91.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.4	164.2	-174.8	64.4	0	0	0	108.7	V63 V65 Y150 L184 I187 A188 F191 L199	V63-L168 HydrophobicContact CG1-CD1 3.61Å; V63-L168 HydrophobicContact CG1-CG 4.41Å; V65-L168 HydrophobicContact CG2-CD1 3.86Å; Y150-L168 PolarHBondContact N-O 3.38Å; Y150-L168 PolarHBondContact O-N 2.88Å; L168-L184 HydrophobicContact CB-CD2 4.23Å; L168-L184 HydrophobicContact CD2-CD2 3.98Å; L168-L184 HydrophobicContact CG-CD2 3.93Å; L168-I187 HydrophobicContact CD2-CD1 3.68Å; L168-I187 HydrophobicContact CD2-CG1 3.69Å; L168-A188 HydrophobicContact CB-CB 4.37Å; L168-A188 HydrophobicContact CD2-CB 3.9Å; L168-F191 HydrophobicContact CD1-CD1 4.35Å; L168-F191 HydrophobicContact CD1-CE1 4.44Å; L168-F191 HydrophobicContact CD2-CB 4.46Å; L168-F191 HydrophobicContact CD2-CD1 4.36Å; L168-L199 HydrophobicContact CD1-CD1 4.22Å; L168-L199 HydrophobicContact CD1-CD2 4.27Å
169	V	98.4	Very high	91.8	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.5	-169.7	-170.3	0	0	0	0	110.4	V63 C64 V66 S98 F114 Y148 V149 V171	V63-V169 CarbonylContact C-O 3.52Å; V63-V169 VanDerWaalsContact CA-O 3.31Å; V63-V169 WeakPolarHBondContact CA-O 3.32Å; C64-V169 HydrophobicContact CB-CB 4.24Å; C64-V169 PolarHBondContact N-O 3.33Å; C64-V169 PolarHBondContact O-N 3.29Å; V66-V169 HydrophobicContact CG2-CG2 4.11Å; S98-V169 WeakPolarHBondContact OG-CG2 3.47Å; F114-V169 HydrophobicContact CE1-CG1 4.1Å; F114-V169 HydrophobicContact CZ-CG1 4.02Å; Y148-V169 CarbonylContact O-C 3.49Å; Y148-V169 VanDerWaalsContact O-CA 3.25Å; Y148-V169 WeakPolarHBondContact O-CA 3.39Å; V149-V169 HydrophobicContact CG2-CG1 4.27Å; V149-V169 HydrophobicContact CG2-CG2 4.37Å; V169-V171 HydrophobicContact CG1-CG2 4.17Å
170	L	98.4	Very high	92.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.9	168.5	-54.2	-177.1	0	0	0	109.1	L60 V63 Y148 F180 V183 L184 I187	L60-L170 HydrophobicContact CD1-CD2 4.08Å; L60-L170 HydrophobicContact CD2-CB 3.95Å; V63-L170 HydrophobicContact CB-CD2 4.29Å; V63-L170 HydrophobicContact CG1-CD2 3.9Å; V63-L170 HydrophobicContact CG2-CD2 3.57Å; Y148-L170 HydrophobicContact CD2-CB 4.43Å; Y148-L170 WeakPolarHBondContact CD2-O 3.35Å; Y148-L170 PolarHBondContact N-O 3.03Å; Y148-L170 PolarHBondContact O-N 3.11Å; L170-F180 HydrophobicContact CD1-CB 4.13Å; L170-F180 HydrophobicContact CD1-CD1 4.01Å; L170-F180 HydrophobicContact CD1-CG 4.48Å; L170-V183 HydrophobicContact CD1-CB 4.34Å; L170-V183 HydrophobicContact CD1-CG1 3.99Å; L170-L184 HydrophobicContact CD1-CD1 4.3Å; L170-L184 HydrophobicContact CD1-CD2 4.26Å; L170-L184 HydrophobicContact CD1-CG 3.78Å; L170-L184 HydrophobicContact CD2-CD2 4.42Å; L170-L184 HydrophobicContact CG-CD1 4.17Å; L170-L184 HydrophobicContact CG-CD2 3.87Å; L170-L184 HydrophobicContact CG-CG 3.85Å; L170-I187 HydrophobicContact CD2-CD1 4.09Å
171	V	97.6	Very high	93.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.7	178	-175.1	0	0	0	0	108.9	L60 E61 C62 I94 F145 F146 V169	L60-V171 CarbonylContact C-O 3.59Å; L60-V171 WeakPolarHBondContact CA-O 3.46Å; E61-V171 HydrophobicContact CB-CG1 4.21Å; E61-V171 PolarHBondContact N-O 3.18Å; C62-V171 PolarHBondContact N-O 3.28Å; C62-V171 PolarHBondContact O-N 2.77Å; I94-V171 HydrophobicContact CD1-CG2 4.19Å; F145-V171 HydrophobicContact CB-CG1 3.74Å; F145-V171 HydrophobicContact CD1-CG1 4.29Å; F145-V171 HydrophobicContact CG-CG1 4.04Å; F146-V171 CarbonylContact O-C 3.54Å; F146-V171 WeakPolarHBondContact O-CA 3.47Å; V169-V171 HydrophobicContact CG1-CG2 4.17Å
172	S	96	Very high	94.3	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.014	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	157.8	-178.6	-170.8	0	0	0	0	112.7	W59 F146 L174	W59-S172 WeakPolarHBondContact O-CB 3.32Å; W59-S172 PolarHBondContact O-OG 3.14Å; F146-S172 PolarHBondContact N-O 3.2Å; F146-S172 PolarHBondContact O-N 2.99Å; S172-L174 PolarHBondContact OG-N 3.21Å
173	R	93.6	Very high	95	Very high	47 Å²	47	17 Å²	17	18%	0.177	8%	0.078	C	C	.	.	S	Bend	trans	-89	-11.7	165.1	-67.5	-175.6	175.2	144.6	5.7	113.1	S124 R140 E141 F145	S124-R173 PolarHBondContact OG-NH1 3.33Å; S124-R173 VanDerWaalsContact OG-NH1 3.15Å; R140-R173 WeakPolarHBondContact CA-O 3.26Å; R140-R173 HydrophobicContact CB-CB 4.29Å; R140-R173 HydrophobicContact CG-CB 4.36Å; E141-R173 PolarHBondContact N-O 3.11Å; E141-R173 WeakPolarHBondContact O-CD 3.25Å; E141-R173 WeakPolarHBondContact O-CG 3.37Å; F145-R173 HydrophobicContact CD1-CG 3.75Å; F145-R173 HydrophobicContact CE1-CG 3.77Å
174	L	94.9	Very high	95.6	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	6%	0.063	C	C	.	.	S	Bend	trans	-89.6	125.7	-179.2	-67.6	166.3	0	0	0	109.6	W59 Y130 R140 Y148 S172 Y176 F180 P212	W59-L174 HydrophobicContact CE3-CD1 4.17Å; Y130-L174 HydrophobicContact CD1-CD2 4.23Å; Y130-L174 HydrophobicContact CE1-CD2 3.67Å; Y130-L174 HydrophobicContact CE2-CD2 4.35Å; R140-L174 HydrophobicContact CG-CD2 3.49Å; R140-L174 VanDerWaalsContact CG-CD2 3.49Å; R140-L174 HydrophobicContact CG-CG 4.14Å; Y148-L174 PolarHBondContact OH-O 3.33Å; S172-L174 PolarHBondContact OG-N 3.21Å; L174-Y176 HydrophobicContact CB-CD1 4.39Å; L174-Y176 HydrophobicContact CB-CD2 3.96Å; L174-Y176 HydrophobicContact CB-CE2 4.16Å; L174-Y176 HydrophobicContact CB-CG 4.09Å; L174-Y176 HydrophobicContact CD1-CD2 4.1Å; L174-Y176 HydrophobicContact CD1-CE2 3.82Å; L174-Y176 HydrophobicContact CD2-CE1 4.44Å; L174-Y176 HydrophobicContact CD2-CE2 4.13Å; L174-Y176 HydrophobicContact CG-CD2 4.5Å; L174-Y176 HydrophobicContact CG-CE2 4.27Å; L174-Y176 PolarHBondContact O-N 3.18Å; L174-F180 HydrophobicContact CB-CE2 4.14Å; L174-F180 HydrophobicContact CB-CZ 4.49Å; L174-P212 HydrophobicContact CD1-CB 4.41Å; L174-P212 HydrophobicContact CD1-CG 4.07Å
175	P	94.7	Very high	96.1	Very high	16 Å²	16	15.7 Å²	15.7	10%	0.104	8%	0.075	C	C	.	.			trans	-79.3	47.4	178.7	33.8	-36.4	0	0	0	112.2	L138 F146 Y148 T177	L138-P175 HydrophobicContact CD2-CG 4.04Å; F146-P175 HydrophobicContact CD2-CB 4.4Å; F146-P175 HydrophobicContact CE2-CB 3.88Å; F146-P175 HydrophobicContact CZ-CB 4.11Å; Y148-P175 WeakPolarHBondContact OH-CA 3.39Å; P175-T177 VanDerWaalsContact C-N 3.3Å; P175-T177 PolarHBondContact O-N 3.04Å; P175-T177 VanDerWaalsContact O-N 3.16Å
176	Y	95.7	Very high	96.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.			trans	-91.8	62.2	-177.8	-61	-16.3	0	0	0	111.8	W59 Y130 Y148 L174 H178 L179 F180 P212 I231 I261	W59-Y176 HydrophobicContact CZ3-CD2 4.11Å; W59-Y176 AromaticContact CZ3-CE2 3.98Å; W59-Y176 HydrophobicContact CZ3-CE2 3.98Å; Y130-Y176 WeakPolarHBondContact CE2-OH 3.2Å; Y130-Y176 PolarHBondContact OH-OH 3.16Å; Y148-Y176 PolarHBondContact OH-N 2.89Å; L174-Y176 HydrophobicContact CB-CD1 4.39Å; L174-Y176 HydrophobicContact CB-CD2 3.96Å; L174-Y176 HydrophobicContact CB-CE2 4.16Å; L174-Y176 HydrophobicContact CB-CG 4.09Å; L174-Y176 HydrophobicContact CD1-CD2 4.1Å; L174-Y176 HydrophobicContact CD1-CE2 3.82Å; L174-Y176 HydrophobicContact CD2-CE1 4.44Å; L174-Y176 HydrophobicContact CD2-CE2 4.13Å; L174-Y176 HydrophobicContact CG-CD2 4.5Å; L174-Y176 HydrophobicContact CG-CE2 4.27Å; L174-Y176 PolarHBondContact O-N 3.18Å; Y176-H178 VanDerWaalsContact C-N 3.31Å; Y176-H178 PolarHBondContact O-N 2.86Å; Y176-L179 HydrophobicContact CD2-CD2 4.07Å; Y176-L179 PolarHBondContact O-N 3.15Å; Y176-F180 HydrophobicContact CD2-CE2 4.44Å; Y176-F180 HydrophobicContact CG-CE2 4.44Å; Y176-F180 VanDerWaalsContact O-CD2 3.23Å; Y176-F180 WeakPolarHBondContact O-CD2 3.09Å; Y176-F180 PolarHBondContact O-N 2.91Å; Y176-P212 HydrophobicContact CE2-CB 4.49Å; Y176-I231 HydrophobicContact CE2-CD1 4.28Å; Y176-I231 WeakPolarHBondContact OH-CG2 3.23Å; Y176-I261 CarbonylContact C-O 3.53Å; Y176-I261 WeakPolarHBondContact CA-O 3.42Å; Y176-I261 HydrophobicContact CD1-CD1 3.56Å; Y176-I261 HydrophobicContact CD1-CG1 3.92Å; Y176-I261 HydrophobicContact CD2-CD1 3.81Å; Y176-I261 HydrophobicContact CE1-CD1 3.41Å; Y176-I261 VanDerWaalsContact CE1-CD1 3.41Å; Y176-I261 HydrophobicContact CE1-CG1 4.19Å; Y176-I261 HydrophobicContact CE2-CD1 3.62Å; Y176-I261 HydrophobicContact CG-CB 4.41Å; Y176-I261 HydrophobicContact CG-CD1 3.76Å; Y176-I261 HydrophobicContact CG-CG1 4.13Å; Y176-I261 VanDerWaalsContact CZ-CD1 3.41Å
177	T	94.9	Very high	96.5	Very high	10 Å²	10	16.3 Å²	16.3	6%	0.061	8%	0.079	C	C	.	.	H	α-helix	trans	-53.1	-45	-172.9	-52.6	0	0	0	0	113.2	Y148 P175 H181 L264 L305	Y148-T177 HydrophobicContact CE1-CG2 4.22Å; P175-T177 VanDerWaalsContact C-N 3.3Å; P175-T177 PolarHBondContact O-N 3.04Å; P175-T177 VanDerWaalsContact O-N 3.16Å; T177-H181 WeakPolarHBondContact O-CB 3.2Å; T177-H181 PolarHBondContact O-CD2 2.88Å; T177-H181 PolarHBondContact O-N 2.9Å; T177-H181 VanDerWaalsContact O-N 3.14Å; T177-L264 HydrophobicContact CG2-CD2 4Å; T177-L305 HydrophobicContact CG2-CD1 3.99Å
178	H	94.9	Very high	96.4	Very high	67 Å²	67	16.3 Å²	16.3	31%	0.31	8%	0.079	S	C	.	.	H	α-helix	trans	-69.3	-44.4	-178.1	-165.3	68.5	0	0	0	111.7	Y176 H181 S182 L258 T260 I261	Y176-H178 VanDerWaalsContact C-N 3.31Å; Y176-H178 PolarHBondContact O-N 2.86Å; H178-H181 PolarHBondContact O-N 2.89Å; H178-S182 WeakPolarHBondContact O-CB 3.36Å; H178-S182 PolarHBondContact O-N 2.76Å; H178-S182 PolarHBondContact O-OG 3.45Å; H178-L258 WeakPolarHBondContact CD2-CD1 3.42Å; H178-L258 VanDerWaalsContact NE2-CD1 3.35Å; H178-L258 WeakPolarHBondContact NE2-CD1 3.46Å; H178-T260 PolarHBondContact CD2-O 2.95Å; H178-I261 WeakPolarHBondContact CB-O 3.3Å; H178-I261 PolarHBondContact N-O 3.31Å
179	L	97.3	Very high	96.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.4	-53.1	178	175.2	60.4	0	0	0	111.9	W59 Y176 H181 S182 V183 L220 L227 V229 L258 I261	W59-L179 HydrophobicContact CE3-CD2 4.28Å; W59-L179 HydrophobicContact CZ3-CD2 3.68Å; Y176-L179 HydrophobicContact CD2-CD2 4.07Å; Y176-L179 PolarHBondContact O-N 3.15Å; L179-H181 PolarHBondContact O-N 3.46Å; L179-S182 PolarHBondContact O-N 2.99Å; L179-V183 HydrophobicContact CD1-CG2 4.14Å; L179-V183 VanDerWaalsContact O-CG2 3.32Å; L179-V183 WeakPolarHBondContact O-CG2 3.31Å; L179-V183 PolarHBondContact O-N 3.38Å; L179-L220 HydrophobicContact CD1-CD1 4.02Å; L179-L220 HydrophobicContact CD2-CD1 4.05Å; L179-L227 HydrophobicContact CD1-CD1 4.13Å; L179-V229 HydrophobicContact CD1-CG1 4.01Å; L179-L258 HydrophobicContact CB-CD2 4.19Å; L179-L258 HydrophobicContact CD1-CD2 3.99Å; L179-I261 HydrophobicContact CB-CB 4.12Å; L179-I261 HydrophobicContact CB-CG2 4.44Å; L179-I261 PolarHBondContact N-O 2.56Å
180	F	97.9	Very high	96	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-70.6	-31.6	-174.3	-66.2	-55.5	0	0	0	112.7	W59 L60 Y148 L170 L174 Y176 L184	W59-F180 WeakPolarHBondContact O-CZ 3.24Å; L60-F180 HydrophobicContact CD2-CD1 3.88Å; L60-F180 HydrophobicContact CD2-CE1 3.42Å; L60-F180 VanDerWaalsContact CD2-CE1 3.42Å; L60-F180 HydrophobicContact CD2-CZ 3.87Å; L60-F180 HydrophobicContact CG-CE1 4.16Å; Y148-F180 HydrophobicContact CD1-CB 4.14Å; Y148-F180 HydrophobicContact CD2-CB 3.55Å; Y148-F180 AromaticContact CD2-CD2 3.63Å; Y148-F180 HydrophobicContact CD2-CD2 3.63Å; Y148-F180 AromaticContact CD2-CG 3.78Å; Y148-F180 HydrophobicContact CD2-CG 3.78Å; Y148-F180 HydrophobicContact CE1-CD2 4.47Å; Y148-F180 HydrophobicContact CE2-CB 3.98Å; Y148-F180 AromaticContact CE2-CD2 3.18Å; Y148-F180 HydrophobicContact CE2-CD2 3.18Å; Y148-F180 AromaticContact CE2-CE2 3.86Å; Y148-F180 HydrophobicContact CE2-CE2 3.86Å; Y148-F180 AromaticContact CE2-CG 3.85Å; Y148-F180 HydrophobicContact CE2-CG 3.85Å; Y148-F180 HydrophobicContact CG-CB 3.63Å; Y148-F180 HydrophobicContact CG-CD2 4.42Å; Y148-F180 HydrophobicContact CG-CG 4.36Å; Y148-F180 AromaticContact CZ-CD2 3.66Å; L170-F180 HydrophobicContact CD1-CB 4.13Å; L170-F180 HydrophobicContact CD1-CD1 4.01Å; L170-F180 HydrophobicContact CD1-CG 4.48Å; L174-F180 HydrophobicContact CB-CE2 4.14Å; L174-F180 HydrophobicContact CB-CZ 4.49Å; Y176-F180 HydrophobicContact CD2-CE2 4.44Å; Y176-F180 HydrophobicContact CG-CE2 4.44Å; Y176-F180 VanDerWaalsContact O-CD2 3.23Å; Y176-F180 WeakPolarHBondContact O-CD2 3.09Å; Y176-F180 PolarHBondContact O-N 2.91Å; F180-L184 WeakPolarHBondContact O-CB 3.33Å; F180-L184 WeakPolarHBondContact O-CG 3.25Å; F180-L184 PolarHBondContact O-N 3.27Å
181	H	97.3	Very high	95.8	Very high	25 Å²	25	21.9 Å²	21.9	12%	0.116	11%	0.108	C	C	.	.	H	α-helix	trans	-68	-39.4	170.2	-80.2	-55.1	0	0	0	112.6	Q111 F112 T113 Y148 T177 H178 L179 L184 Q185	Q111-H181 PolarHBondContact NE2-O 3.43Å; F112-H181 PolarHBondContact O-CE1 2.86Å; F112-H181 VanDerWaalsContact O-CE1 3.29Å; T113-H181 PolarHBondContact OG1-NE2 3.02Å; Y148-H181 AromaticContact CD1-NE2 3.79Å; T177-H181 WeakPolarHBondContact O-CB 3.2Å; T177-H181 PolarHBondContact O-CD2 2.88Å; T177-H181 PolarHBondContact O-N 2.9Å; T177-H181 VanDerWaalsContact O-N 3.14Å; H178-H181 PolarHBondContact O-N 2.89Å; L179-H181 PolarHBondContact O-N 3.46Å; H181-L184 PolarHBondContact O-N 2.78Å; H181-Q185 WeakPolarHBondContact O-CG 3.36Å; H181-Q185 PolarHBondContact O-N 2.78Å
182	S	96.6	Very high	95.5	Very high	16 Å²	16	22.7 Å²	22.7	11%	0.112	11%	0.112	C	C	.	.	H	α-helix	trans	-63.4	-42.2	173.7	-65.8	0	0	0	0	112.1	H178 L179 Q185 I186	H178-S182 WeakPolarHBondContact O-CB 3.36Å; H178-S182 PolarHBondContact O-N 2.76Å; H178-S182 PolarHBondContact O-OG 3.45Å; L179-S182 PolarHBondContact O-N 2.99Å; S182-Q185 PolarHBondContact O-N 2.87Å; S182-I186 WeakPolarHBondContact O-CG1 3.38Å; S182-I186 PolarHBondContact O-N 3.19Å
183	V	97.3	Very high	95.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-48.9	173.6	170.8	0	0	0	0	110.1	L170 L179 Q185 I186 I187 W209 V222 L227	L170-V183 HydrophobicContact CD1-CB 4.34Å; L170-V183 HydrophobicContact CD1-CG1 3.99Å; L179-V183 HydrophobicContact CD1-CG2 4.14Å; L179-V183 VanDerWaalsContact O-CG2 3.32Å; L179-V183 WeakPolarHBondContact O-CG2 3.31Å; L179-V183 PolarHBondContact O-N 3.38Å; V183-Q185 VanDerWaalsContact C-N 3.29Å; V183-Q185 PolarHBondContact O-N 2.94Å; V183-I186 WeakPolarHBondContact O-CB 3.47Å; V183-I186 PolarHBondContact O-N 2.66Å; V183-I187 HydrophobicContact CG1-CD1 4.13Å; V183-I187 HydrophobicContact CG1-CG2 4.2Å; V183-I187 WeakPolarHBondContact O-CG1 3.37Å; V183-I187 PolarHBondContact O-N 3.34Å; V183-W209 HydrophobicContact CG2-CH2 3.98Å; V183-V222 HydrophobicContact CG1-CG2 4.41Å; V183-L227 HydrophobicContact CG2-CD1 3.9Å
184	L	97.5	Very high	95	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.7	-38	176.9	-82.3	166.7	0	0	0	113.5	Y148 Y150 L168 L170 F180 H181 I186 I187 A188	Y148-L184 VanDerWaalsContact O-CD1 3.32Å; Y148-L184 WeakPolarHBondContact O-CD1 3.19Å; Y150-L184 HydrophobicContact CD2-CB 4.39Å; L168-L184 HydrophobicContact CB-CD2 4.23Å; L168-L184 HydrophobicContact CD2-CD2 3.98Å; L168-L184 HydrophobicContact CG-CD2 3.93Å; L170-L184 HydrophobicContact CD1-CD1 4.3Å; L170-L184 HydrophobicContact CD1-CD2 4.26Å; L170-L184 HydrophobicContact CD1-CG 3.78Å; L170-L184 HydrophobicContact CD2-CD2 4.42Å; L170-L184 HydrophobicContact CG-CD1 4.17Å; L170-L184 HydrophobicContact CG-CD2 3.87Å; L170-L184 HydrophobicContact CG-CG 3.85Å; F180-L184 WeakPolarHBondContact O-CB 3.33Å; F180-L184 WeakPolarHBondContact O-CG 3.25Å; F180-L184 PolarHBondContact O-N 3.27Å; H181-L184 PolarHBondContact O-N 2.78Å; L184-I186 PolarHBondContact O-N 2.85Å; L184-I187 HydrophobicContact CD2-CD1 4.24Å; L184-I187 HydrophobicContact CD2-CG1 4.4Å; L184-I187 PolarHBondContact O-N 3.29Å; L184-A188 WeakPolarHBondContact O-CB 3.45Å; L184-A188 PolarHBondContact O-N 2.93Å
185	Q	95.8	Very high	94.8	Very high	109 Å²	109	37 Å²	37	51%	0.509	18%	0.181	S	C	.	.	H	α-helix	trans	-62.5	-30.3	176.4	-75.4	172.8	0.8	0	0	112.7	H181 S182 V183 P189	H181-Q185 WeakPolarHBondContact O-CG 3.36Å; H181-Q185 PolarHBondContact O-N 2.78Å; S182-Q185 PolarHBondContact O-N 2.87Å; V183-Q185 VanDerWaalsContact C-N 3.29Å; V183-Q185 PolarHBondContact O-N 2.94Å; Q185-P189 WeakPolarHBondContact O-CD 3.35Å; Q185-P189 WeakPolarHBondContact O-CG 3.34Å
186	I	95.6	Very high	94.6	Very high	45 Å²	45	40.1 Å²	40.1	23%	0.231	20%	0.195	C	C	.	.	H	α-helix	trans	-81.7	-49.1	177.5	-61.9	166.7	0	0	0	110.2	S182 V183 L184 V222 V223 L227	S182-I186 WeakPolarHBondContact O-CG1 3.38Å; S182-I186 PolarHBondContact O-N 3.19Å; V183-I186 WeakPolarHBondContact O-CB 3.47Å; V183-I186 PolarHBondContact O-N 2.66Å; L184-I186 PolarHBondContact O-N 2.85Å; I186-V222 HydrophobicContact CD1-CG1 3.93Å; I186-V223 HydrophobicContact CG2-CB 3.91Å; I186-V223 HydrophobicContact CG2-CG2 4.34Å; I186-L227 HydrophobicContact CD1-CD1 4.41Å; I186-L227 HydrophobicContact CD1-CD2 4.27Å
187	I	96.9	Very high	94.4	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-82.2	-36	-168.6	68.5	173.1	0	0	0	113.3	L168 L170 V183 L184 F191 V202 V222 V223	L168-I187 HydrophobicContact CD2-CD1 3.68Å; L168-I187 HydrophobicContact CD2-CG1 3.69Å; L170-I187 HydrophobicContact CD2-CD1 4.09Å; V183-I187 HydrophobicContact CG1-CD1 4.13Å; V183-I187 HydrophobicContact CG1-CG2 4.2Å; V183-I187 WeakPolarHBondContact O-CG1 3.37Å; V183-I187 PolarHBondContact O-N 3.34Å; L184-I187 HydrophobicContact CD2-CD1 4.24Å; L184-I187 HydrophobicContact CD2-CG1 4.4Å; L184-I187 PolarHBondContact O-N 3.29Å; I187-F191 VanDerWaalsContact O-CB 3.25Å; I187-F191 WeakPolarHBondContact O-CB 3.24Å; I187-F191 PolarHBondContact O-N 3.5Å; I187-V202 HydrophobicContact CG2-CG1 3.9Å; I187-V202 HydrophobicContact CG2-CG2 4.3Å; I187-V222 HydrophobicContact CG2-CG2 3.7Å; I187-V223 HydrophobicContact CG2-CG2 3.99Å
188	A	95.7	Very high	94.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68	-45	-169.5	0	0	0	0	0	113.3	Y150 L168 L184 E190 F191 F192	Y150-A188 HydrophobicContact CD1-CB 3.55Å; Y150-A188 HydrophobicContact CD2-CB 3.72Å; Y150-A188 HydrophobicContact CE1-CB 3.98Å; Y150-A188 HydrophobicContact CE2-CB 4.13Å; Y150-A188 HydrophobicContact CG-CB 3.41Å; Y150-A188 VanDerWaalsContact CG-CB 3.41Å; L168-A188 HydrophobicContact CB-CB 4.37Å; L168-A188 HydrophobicContact CD2-CB 3.9Å; L184-A188 WeakPolarHBondContact O-CB 3.45Å; L184-A188 PolarHBondContact O-N 2.93Å; A188-E190 VanDerWaalsContact C-N 3.34Å; A188-E190 PolarHBondContact O-N 2.94Å; A188-F191 PolarHBondContact O-N 2.98Å; A188-F192 HydrophobicContact CB-CE2 4.03Å; A188-F192 HydrophobicContact CB-CZ 4.42Å; A188-F192 WeakPolarHBondContact O-CD2 3.4Å; A188-F192 WeakPolarHBondContact O-CG 3.24Å; A188-F192 PolarHBondContact O-N 3.46Å; A188-F192 VanDerWaalsContact O-N 3.08Å
189	P	93.2	Very high	94.4	Very high	38 Å²	38	42.3 Å²	42.3	25%	0.247	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-44.3	178	-24.5	35.4	0	0	0	112.8	Q185 F192	Q185-P189 WeakPolarHBondContact O-CD 3.35Å; Q185-P189 WeakPolarHBondContact O-CG 3.34Å; P189-F192 PolarHBondContact O-N 3.02Å
190	E	94	Very high	94.2	Very high	77 Å²	77	46.4 Å²	46.4	36%	0.36	23%	0.231	S	C	.	.	H	α-helix	trans	-68.4	-39.3	178.8	-67.4	-66.4	138.9	0	0	112	A188 F192 E193 K194 F198	A188-E190 VanDerWaalsContact C-N 3.34Å; A188-E190 PolarHBondContact O-N 2.94Å; E190-F192 VanDerWaalsContact C-N 3.34Å; E190-F192 PolarHBondContact O-N 2.73Å; E190-E193 PolarHBondContact O-N 3.31Å; E190-K194 WeakPolarHBondContact O-CB 3.49Å; E190-K194 PolarHBondContact O-N 2.86Å; E190-K194 VanDerWaalsContact OE2-CE 3.24Å; E190-K194 WeakPolarHBondContact OE2-CE 3.13Å; E190-K194 IonicContact OE2-NZ 2.77Å; E190-K194 PolarHBondContact OE2-NZ 3.49Å; E190-F198 HydrophobicContact CB-CD1 4.45Å; E190-F198 HydrophobicContact CB-CE1 3.65Å; E190-F198 HydrophobicContact CB-CE2 4.03Å; E190-F198 HydrophobicContact CB-CZ 3.39Å; E190-F198 HydrophobicContact CG-CZ 4.23Å
191	F	94.8	Very high	94	Very high	1 Å²	1	49 Å²	49	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-40.2	176.8	167.7	-104.6	0	0	0	112.4	V65 L168 I187 A188 E193 K194 L195 F198 L199	V65-F191 HydrophobicContact CB-CZ 4.26Å; V65-F191 HydrophobicContact CG1-CE1 3.87Å; V65-F191 HydrophobicContact CG1-CZ 3.76Å; V65-F191 HydrophobicContact CG2-CE1 3.88Å; V65-F191 HydrophobicContact CG2-CE2 4.18Å; V65-F191 HydrophobicContact CG2-CZ 3.45Å; V65-F191 VanDerWaalsContact CG2-CZ 3.45Å; L168-F191 HydrophobicContact CD1-CD1 4.35Å; L168-F191 HydrophobicContact CD1-CE1 4.44Å; L168-F191 HydrophobicContact CD2-CB 4.46Å; L168-F191 HydrophobicContact CD2-CD1 4.36Å; I187-F191 VanDerWaalsContact O-CB 3.25Å; I187-F191 WeakPolarHBondContact O-CB 3.24Å; I187-F191 PolarHBondContact O-N 3.5Å; A188-F191 PolarHBondContact O-N 2.98Å; F191-E193 PolarHBondContact O-N 3.14Å; F191-E193 VanDerWaalsContact O-N 3.15Å; F191-K194 PolarHBondContact O-N 3.45Å; F191-L195 WeakPolarHBondContact CD2-O 3.3Å; F191-L195 WeakPolarHBondContact O-CA 3.49Å; F191-L195 PolarHBondContact O-N 2.77Å; F191-F198 HydrophobicContact CB-CD1 3.98Å; F191-F198 HydrophobicContact CB-CE1 4.11Å; F191-L199 HydrophobicContact CD2-CB 3.88Å; F191-L199 HydrophobicContact CD2-CD2 4.34Å; F191-L199 HydrophobicContact CE2-CB 4.02Å; F191-L199 HydrophobicContact CE2-CD2 3.97Å; F191-L199 HydrophobicContact CZ-CD2 4.5Å
192	F	91.5	Very high	93.9	Very high	19 Å²	19	48 Å²	48	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-18.6	-179.5	-64	-45.5	0	0	0	113.5	Y150 R152 F164 K166 A188 P189 E190	Y150-F192 AromaticContact CD1-CE2 3.76Å; Y150-F192 HydrophobicContact CD1-CE2 3.76Å; Y150-F192 HydrophobicContact CD1-CZ 4.19Å; Y150-F192 AromaticContact CE1-CE2 3.77Å; Y150-F192 HydrophobicContact CE1-CE2 3.77Å; R152-F192 HydrophobicContact CB-CD2 4.26Å; R152-F192 HydrophobicContact CB-CE2 3.7Å; R152-F192 HydrophobicContact CB-CZ 4.03Å; F164-F192 HydrophobicContact CE1-CD1 4.45Å; F164-F192 HydrophobicContact CZ-CD1 4.3Å; K166-F192 HydrophobicContact CB-CD1 4.37Å; K166-F192 HydrophobicContact CB-CE1 3.86Å; K166-F192 HydrophobicContact CD-CD1 4.13Å; K166-F192 HydrophobicContact CD-CE1 4.13Å; K166-F192 HydrophobicContact CG-CD1 4.29Å; K166-F192 HydrophobicContact CG-CE1 3.78Å; A188-F192 HydrophobicContact CB-CE2 4.03Å; A188-F192 HydrophobicContact CB-CZ 4.42Å; A188-F192 WeakPolarHBondContact O-CD2 3.4Å; A188-F192 WeakPolarHBondContact O-CG 3.24Å; A188-F192 PolarHBondContact O-N 3.46Å; A188-F192 VanDerWaalsContact O-N 3.08Å; P189-F192 PolarHBondContact O-N 3.02Å; E190-F192 VanDerWaalsContact C-N 3.34Å; E190-F192 PolarHBondContact O-N 2.73Å
193	E	88.9	Confident	93.8	Very high	151 Å²	151	47.2 Å²	47.2	71%	0.706	24%	0.243	S	C	*	.	H	α-helix	trans	-97.2	-42.8	174.1	-57.9	-60.6	153.2	0	0	112.4	E190 F191	E190-E193 PolarHBondContact O-N 3.31Å; F191-E193 PolarHBondContact O-N 3.14Å; F191-E193 VanDerWaalsContact O-N 3.15Å
194	K	88.7	Confident	93.6	Very high	113 Å²	113	50.2 Å²	50.2	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-96.2	-12.7	-170.7	-63.4	174.6	176	163.2	0	114.9	E190 F191 F198	E190-K194 WeakPolarHBondContact O-CB 3.49Å; E190-K194 PolarHBondContact O-N 2.86Å; E190-K194 VanDerWaalsContact OE2-CE 3.24Å; E190-K194 WeakPolarHBondContact OE2-CE 3.13Å; E190-K194 IonicContact OE2-NZ 2.77Å; E190-K194 PolarHBondContact OE2-NZ 3.49Å; F191-K194 PolarHBondContact O-N 3.45Å; K194-F198 HydrophobicContact CB-CB 3.58Å; K194-F198 HydrophobicContact CB-CD2 4.45Å; K194-F198 HydrophobicContact CB-CG 3.99Å; K194-F198 HydrophobicContact CD-CB 4.42Å; K194-F198 HydrophobicContact CD-CD2 3.81Å; K194-F198 HydrophobicContact CD-CE2 4.32Å; K194-F198 HydrophobicContact CD-CG 4.18Å
195	L	90.9	Very high	93.5	Very high	87 Å²	87	52.3 Å²	52.3	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	57.9	-146.4	173.7	-52.9	177.1	0	0	0	114.4	F191 F198 L199	F191-L195 WeakPolarHBondContact CD2-O 3.3Å; F191-L195 WeakPolarHBondContact O-CA 3.49Å; F191-L195 PolarHBondContact O-N 2.77Å; L195-F198 PolarHBondContact O-N 3.06Å; L195-L199 PolarHBondContact O-N 3.27Å
196	E	91.4	Very high	93.5	Very high	81 Å²	81	47.2 Å²	47.2	38%	0.379	25%	0.245	S	C	.	.	H	α-helix	trans	-58.9	-47.3	-164.9	-172.4	176.4	177.4	0	0	115.1	L78 Y80 F198 L199 E200	L78-E196 HydrophobicContact CD1-CB 4.01Å; L78-E196 HydrophobicContact CD1-CG 3.95Å; L78-E196 HydrophobicContact CD2-CG 4.38Å; Y80-E196 HydrophobicContact CE2-CG 4.22Å; Y80-E196 WeakPolarHBondContact OH-CG 3.49Å; Y80-E196 PolarHBondContact OH-OE1 2.66Å; Y80-E196 VanDerWaalsContact OH-OE1 3.08Å; E196-F198 PolarHBondContact O-N 3.45Å; E196-L199 PolarHBondContact O-N 3.24Å; E196-E200 PolarHBondContact O-N 2.76Å
197	P	91.8	Very high	93.4	Very high	95 Å²	95	46.3 Å²	46.3	62%	0.617	24%	0.24	S	C	*	.	H	α-helix	trans	-62	-31.6	-178.1	-22.2	34	0	0	0	113.1	A201	P197-A201 PolarHBondContact O-N 3.05Å
198	F	94.6	Very high	93.2	Very high	27 Å²	27	52.6 Å²	52.6	12%	0.118	27%	0.27	C	S	.	.	H	α-helix	trans	-68.4	-41.4	175.2	172.6	-98.5	0	0	0	111.5	E190 F191 K194 L195 E196 A201 V202 V223	E190-F198 HydrophobicContact CB-CD1 4.45Å; E190-F198 HydrophobicContact CB-CE1 3.65Å; E190-F198 HydrophobicContact CB-CE2 4.03Å; E190-F198 HydrophobicContact CB-CZ 3.39Å; E190-F198 HydrophobicContact CG-CZ 4.23Å; F191-F198 HydrophobicContact CB-CD1 3.98Å; F191-F198 HydrophobicContact CB-CE1 4.11Å; K194-F198 HydrophobicContact CB-CB 3.58Å; K194-F198 HydrophobicContact CB-CD2 4.45Å; K194-F198 HydrophobicContact CB-CG 3.99Å; K194-F198 HydrophobicContact CD-CB 4.42Å; K194-F198 HydrophobicContact CD-CD2 3.81Å; K194-F198 HydrophobicContact CD-CE2 4.32Å; K194-F198 HydrophobicContact CD-CG 4.18Å; L195-F198 PolarHBondContact O-N 3.06Å; E196-F198 PolarHBondContact O-N 3.45Å; F198-A201 PolarHBondContact O-N 3.24Å; F198-V202 HydrophobicContact CD1-CG2 4.32Å; F198-V202 HydrophobicContact CE1-CG2 3.89Å; F198-V202 HydrophobicContact CE2-CG2 4.26Å; F198-V202 HydrophobicContact CZ-CG2 3.86Å; F198-V202 WeakPolarHBondContact O-CG2 3.38Å; F198-V202 PolarHBondContact O-N 3.44Å; F198-V223 HydrophobicContact CE2-CG1 3.88Å; F198-V223 HydrophobicContact CE2-CG2 4.06Å; F198-V223 HydrophobicContact CZ-CG1 3.91Å; F198-V223 HydrophobicContact CZ-CG2 3.66Å
199	L	93.9	Very high	93.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.4	-38.8	179.6	-171.2	59.6	0	0	0	112.1	V63 V65 Y80 L168 F191 L195 E196 V202 C203	V63-L199 HydrophobicContact CG1-CD1 4.11Å; V63-L199 HydrophobicContact CG1-CD2 4.3Å; V65-L199 HydrophobicContact CG2-CD2 3.68Å; Y80-L199 HydrophobicContact CD2-CD2 3.66Å; Y80-L199 HydrophobicContact CD2-CG 4.03Å; Y80-L199 HydrophobicContact CE2-CB 4.49Å; Y80-L199 HydrophobicContact CE2-CD2 3.95Å; Y80-L199 HydrophobicContact CE2-CG 4.29Å; L168-L199 HydrophobicContact CD1-CD1 4.22Å; L168-L199 HydrophobicContact CD1-CD2 4.27Å; F191-L199 HydrophobicContact CD2-CB 3.88Å; F191-L199 HydrophobicContact CD2-CD2 4.34Å; F191-L199 HydrophobicContact CE2-CB 4.02Å; F191-L199 HydrophobicContact CE2-CD2 3.97Å; F191-L199 HydrophobicContact CZ-CD2 4.5Å; L195-L199 PolarHBondContact O-N 3.27Å; E196-L199 PolarHBondContact O-N 3.24Å; L199-V202 PolarHBondContact O-N 3.17Å; L199-C203 PolarHBondContact O-N 3.25Å; L199-C203 PolarHBondContact O-SG 3.02Å
200	E	93	Very high	93.3	Very high	87 Å²	87	53.1 Å²	53.1	41%	0.407	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-44.4	174.3	-172.9	178.4	-178.2	0	0	111.5	W53 Y80 E196 V202 C203 N204	W53-E200 HydrophobicContact CZ2-CG 4.32Å; Y80-E200 HydrophobicContact CE1-CB 4.05Å; Y80-E200 HydrophobicContact CE1-CG 4.19Å; E196-E200 PolarHBondContact O-N 2.76Å; E200-V202 VanDerWaalsContact C-N 3.33Å; E200-V202 PolarHBondContact O-N 3.09Å; E200-C203 PolarHBondContact O-N 2.87Å; E200-N204 PolarHBondContact O-N 2.87Å; E200-N204 PolarHBondContact O-ND2 3.45Å; E200-N204 VanDerWaalsContact O-ND2 3.09Å
201	A	94.2	Very high	93.2	Very high	55 Å²	55	53.2 Å²	53.2	46%	0.455	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-41.9	175	0	0	0	0	0	112.3	P197 F198 N204 E205	P197-A201 PolarHBondContact O-N 3.05Å; F198-A201 PolarHBondContact O-N 3.24Å; A201-N204 WeakPolarHBondContact O-CB 3.36Å; A201-N204 PolarHBondContact O-N 2.68Å; A201-E205 PolarHBondContact O-N 3.37Å
202	V	95.1	Very high	93.1	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-43.3	174.4	169.9	0	0	0	0	111.4	I187 F198 L199 E200 N204 E205 I206 V223	I187-V202 HydrophobicContact CG2-CG1 3.9Å; I187-V202 HydrophobicContact CG2-CG2 4.3Å; F198-V202 HydrophobicContact CD1-CG2 4.32Å; F198-V202 HydrophobicContact CE1-CG2 3.89Å; F198-V202 HydrophobicContact CE2-CG2 4.26Å; F198-V202 HydrophobicContact CZ-CG2 3.86Å; F198-V202 WeakPolarHBondContact O-CG2 3.38Å; F198-V202 PolarHBondContact O-N 3.44Å; L199-V202 PolarHBondContact O-N 3.17Å; E200-V202 VanDerWaalsContact C-N 3.33Å; E200-V202 PolarHBondContact O-N 3.09Å; V202-N204 VanDerWaalsContact C-N 3.33Å; V202-N204 PolarHBondContact O-N 3.34Å; V202-E205 WeakPolarHBondContact O-CB 3.4Å; V202-E205 PolarHBondContact O-N 2.99Å; V202-E205 VanDerWaalsContact O-N 3.16Å; V202-I206 HydrophobicContact CG1-CD1 3.94Å; V202-I206 HydrophobicContact CG1-CG1 4.47Å; V202-I206 WeakPolarHBondContact O-CG1 3.19Å; V202-I206 PolarHBondContact O-N 3.06Å; V202-V223 HydrophobicContact CG2-CG2 3.62Å
203	C	94.8	Very high	93.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-39.3	177.9	-65.7	0	0	0	0	111.8	W53 F56 L199 E200 E205 I206 D207	W53-C203 HydrophobicContact CZ2-CB 4.2Å; F56-C203 HydrophobicContact CE2-CB 4.32Å; L199-C203 PolarHBondContact O-N 3.25Å; L199-C203 PolarHBondContact O-SG 3.02Å; E200-C203 PolarHBondContact O-N 2.87Å; C203-E205 VanDerWaalsContact C-N 3.31Å; C203-E205 PolarHBondContact O-N 2.94Å; C203-I206 PolarHBondContact O-N 3.12Å; C203-D207 PolarHBondContact O-N 3.02Å
204	N	93.6	Very high	93.3	Very high	64 Å²	64	48.1 Å²	48.1	34%	0.342	26%	0.259	S	S	.	.	H	α-helix	trans	-61.6	-37.2	172.3	-75.4	-45.7	0	0	0	112.6	W53 E200 A201 V202 Q208	W53-N204 PolarHBondContact NE1-OD1 2.88Å; E200-N204 PolarHBondContact O-N 2.87Å; E200-N204 PolarHBondContact O-ND2 3.45Å; E200-N204 VanDerWaalsContact O-ND2 3.09Å; A201-N204 WeakPolarHBondContact O-CB 3.36Å; A201-N204 PolarHBondContact O-N 2.68Å; V202-N204 VanDerWaalsContact C-N 3.33Å; V202-N204 PolarHBondContact O-N 3.34Å; N204-Q208 WeakPolarHBondContact O-CG 3.34Å; N204-Q208 PolarHBondContact O-N 2.92Å; N204-Q208 PolarHBondContact O-NE2 2.86Å
205	E	94.4	Very high	93.3	Very high	45 Å²	45	44.9 Å²	44.9	21%	0.21	26%	0.257	C	S	.	.	H	α-helix	trans	-69.6	-42.4	176.2	-164.5	177.9	-177.3	0	0	111.6	A201 V202 C203 D207 Q208 W209 P221 V222 V223	A201-E205 PolarHBondContact O-N 3.37Å; V202-E205 WeakPolarHBondContact O-CB 3.4Å; V202-E205 PolarHBondContact O-N 2.99Å; V202-E205 VanDerWaalsContact O-N 3.16Å; C203-E205 VanDerWaalsContact C-N 3.31Å; C203-E205 PolarHBondContact O-N 2.94Å; E205-D207 VanDerWaalsContact C-N 3.31Å; E205-D207 PolarHBondContact O-N 3.29Å; E205-Q208 WeakPolarHBondContact O-CB 3.37Å; E205-Q208 PolarHBondContact O-N 2.8Å; E205-W209 VanDerWaalsContact O-CD1 3.26Å; E205-P221 HydrophobicContact CG-CB 4.31Å; E205-P221 HydrophobicContact CG-CG 4.32Å; E205-P221 WeakPolarHBondContact CG-O 3.5Å; E205-P221 WeakPolarHBondContact OE1-CB 3.27Å; E205-V222 VanDerWaalsContact CD-CA 3.5Å; E205-V222 VanDerWaalsContact OE1-CA 3.29Å; E205-V222 WeakPolarHBondContact OE1-CA 3.43Å; E205-V222 PolarHBondContact OE1-N 2.91Å; E205-V223 PolarHBondContact OE1-N 2.96Å; E205-V223 PolarHBondContact OE2-N 3.14Å
206	I	95.8	Very high	93.3	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-36.7	175.5	-67	171.2	0	0	0	111.4	F56 L60 V202 C203 Q208 W209	F56-I206 HydrophobicContact CD2-CB 4.14Å; F56-I206 HydrophobicContact CD2-CG2 3.74Å; F56-I206 HydrophobicContact CE2-CG2 4.15Å; L60-I206 HydrophobicContact CD1-CD1 4.07Å; L60-I206 HydrophobicContact CD1-CG2 4.45Å; V202-I206 HydrophobicContact CG1-CD1 3.94Å; V202-I206 HydrophobicContact CG1-CG1 4.47Å; V202-I206 WeakPolarHBondContact O-CG1 3.19Å; V202-I206 PolarHBondContact O-N 3.06Å; C203-I206 PolarHBondContact O-N 3.12Å; I206-Q208 PolarHBondContact O-N 3.26Å; I206-W209 HydrophobicContact CB-CD2 4.39Å; I206-W209 HydrophobicContact CD1-CH2 4.49Å; I206-W209 HydrophobicContact CG1-CD2 4.45Å; I206-W209 HydrophobicContact CG1-CH2 4Å; I206-W209 HydrophobicContact CG1-CZ2 3.71Å; I206-W209 HydrophobicContact CG1-CZ3 4.49Å; I206-W209 HydrophobicContact CG2-CD2 4.13Å; I206-W209 HydrophobicContact CG2-CE3 3.99Å; I206-W209 HydrophobicContact CG2-CZ3 4.2Å; I206-W209 WeakPolarHBondContact O-CB 3.25Å; I206-W209 VanDerWaalsContact O-CG 3.26Å; I206-W209 PolarHBondContact O-N 2.93Å
207	D	94.6	Very high	93.3	Very high	25 Å²	25	45.5 Å²	45.5	13%	0.134	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-20	175.2	-170	62.6	0	0	0	113	W53 T54 R55 F56 C203 E205 W209	W53-D207 WeakPolarHBondContact CA-OD1 3.11Å; W53-D207 HydrophobicContact CB-CB 4.4Å; W53-D207 VanDerWaalsContact CD1-CB 3.44Å; W53-D207 HydrophobicContact CG-CB 4.22Å; T54-D207 PolarHBondContact N-OD1 3.39Å; R55-D207 WeakPolarHBondContact CA-OD1 3.33Å; R55-D207 WeakPolarHBondContact CB-O 3.3Å; R55-D207 WeakPolarHBondContact CB-OD1 3.2Å; R55-D207 VanDerWaalsContact CD-O 3.25Å; R55-D207 WeakPolarHBondContact CD-O 3.46Å; R55-D207 PolarHBondContact N-OD1 3.27Å; F56-D207 HydrophobicContact CB-CB 4.15Å; F56-D207 PolarHBondContact N-OD1 2.88Å; C203-D207 PolarHBondContact O-N 3.02Å; E205-D207 VanDerWaalsContact C-N 3.31Å; E205-D207 PolarHBondContact O-N 3.29Å; D207-W209 VanDerWaalsContact C-N 3.26Å; D207-W209 PolarHBondContact O-N 3.26Å
208	Q	93.4	Very high	93.4	Very high	134 Å²	134	41.4 Å²	41.4	63%	0.626	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.7	173.9	-65.2	172.2	32.2	0	0	112.6	N204 E205 I206	N204-Q208 WeakPolarHBondContact O-CG 3.34Å; N204-Q208 PolarHBondContact O-N 2.92Å; N204-Q208 PolarHBondContact O-NE2 2.86Å; E205-Q208 WeakPolarHBondContact O-CB 3.37Å; E205-Q208 PolarHBondContact O-N 2.8Å; I206-Q208 PolarHBondContact O-N 3.26Å
209	W	95.4	Very high	93.4	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	25%	0.25	C	C	.	.	S	Bend	trans	-61.2	143.3	-179.3	-69	3.9	0	0	0	112	W59 V183 E205 I206 D207 L220 P221 V222	W59-W209 HydrophobicContact CB-CE3 4.45Å; W59-W209 AromaticContact CD2-CE3 3.75Å; W59-W209 HydrophobicContact CD2-CE3 3.75Å; W59-W209 HydrophobicContact CD2-CZ3 4.24Å; W59-W209 AromaticContact CE2-CE3 3.86Å; W59-W209 HydrophobicContact CE3-CE3 4.21Å; W59-W209 HydrophobicContact CE3-CZ3 4.31Å; W59-W209 AromaticContact CG-CE3 3.85Å; W59-W209 HydrophobicContact CG-CE3 3.85Å; W59-W209 HydrophobicContact CG-CZ3 4.42Å; W59-W209 HydrophobicContact CZ2-CE3 4.39Å; V183-W209 HydrophobicContact CG2-CH2 3.98Å; E205-W209 VanDerWaalsContact O-CD1 3.26Å; I206-W209 HydrophobicContact CB-CD2 4.39Å; I206-W209 HydrophobicContact CD1-CH2 4.49Å; I206-W209 HydrophobicContact CG1-CD2 4.45Å; I206-W209 HydrophobicContact CG1-CH2 4Å; I206-W209 HydrophobicContact CG1-CZ2 3.71Å; I206-W209 HydrophobicContact CG1-CZ3 4.49Å; I206-W209 HydrophobicContact CG2-CD2 4.13Å; I206-W209 HydrophobicContact CG2-CE3 3.99Å; I206-W209 HydrophobicContact CG2-CZ3 4.2Å; I206-W209 WeakPolarHBondContact O-CB 3.25Å; I206-W209 VanDerWaalsContact O-CG 3.26Å; I206-W209 PolarHBondContact O-N 2.93Å; D207-W209 VanDerWaalsContact C-N 3.26Å; D207-W209 PolarHBondContact O-N 3.26Å; W209-L220 HydrophobicContact CB-CD2 4.05Å; W209-L220 HydrophobicContact CD2-CB 4.03Å; W209-L220 HydrophobicContact CD2-CD1 4.5Å; W209-L220 HydrophobicContact CD2-CD2 3.88Å; W209-L220 HydrophobicContact CD2-CG 4.34Å; W209-L220 HydrophobicContact CE3-CB 4.46Å; W209-L220 HydrophobicContact CE3-CD1 4.14Å; W209-L220 HydrophobicContact CE3-CD2 4.07Å; W209-L220 HydrophobicContact CE3-CG 4.46Å; W209-L220 HydrophobicContact CG-CB 4.46Å; W209-L220 HydrophobicContact CG-CD2 3.89Å; W209-L220 HydrophobicContact CH2-CB 4.47Å; W209-L220 HydrophobicContact CH2-CD1 4.47Å; W209-L220 HydrophobicContact CZ2-CB 4.02Å; W209-L220 HydrophobicContact CZ3-CD1 4.13Å; W209-P221 PolarHBondContact NE1-O 3.25Å; W209-V222 HydrophobicContact CZ2-CB 4.32Å
210	P	94.3	Very high	93.4	Very high	49 Å²	49	43.7 Å²	43.7	32%	0.318	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-60.7	152.3	168.7	27.4	-34.4	0	0	0	110.4	W59 L218 L220	W59-P210 VanDerWaalsContact CE2-O 3.3Å; W59-P210 VanDerWaalsContact CZ2-O 3.23Å; W59-P210 WeakPolarHBondContact CZ2-O 3.38Å; W59-P210 PolarHBondContact NE1-O 3.47Å; P210-L218 HydrophobicContact CB-CD2 4.08Å; P210-L218 HydrophobicContact CG-CB 3.96Å; P210-L218 HydrophobicContact CG-CD1 4.18Å; P210-L218 HydrophobicContact CG-CD2 3.85Å; P210-L218 HydrophobicContact CG-CG 4.21Å; P210-L220 HydrophobicContact CG-CD2 4.22Å
211	N	92.3	Very high	93.5	Very high	78 Å²	78	41.5 Å²	41.5	42%	0.417	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-62.3	140.3	176.5	-75	-40.4	0	0	0	110.8	S58 S213	S58-N211 WeakPolarHBondContact CB-OD1 3.47Å; S58-N211 PolarHBondContact OG-OD1 2.86Å; N211-S213 PolarHBondContact O-N 3.31Å; N211-S213 PolarHBondContact O-OG 3.27Å
212	P	92.7	Very high	93.5	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.032	22%	0.221	C	C	.	.			trans	-65.6	104.5	177.8	27.3	-31.1	0	0	0	108.6	S58 W59 Y130 L174 Y176	S58-P212 WeakPolarHBondContact O-CG 3.44Å; W59-P212 HydrophobicContact CD2-CB 4.37Å; W59-P212 HydrophobicContact CD2-CG 4.27Å; W59-P212 HydrophobicContact CE3-CB 4.28Å; W59-P212 HydrophobicContact CH2-CB 3.76Å; W59-P212 HydrophobicContact CZ2-CB 3.8Å; W59-P212 HydrophobicContact CZ2-CG 4.35Å; W59-P212 HydrophobicContact CZ3-CB 3.99Å; Y130-P212 VanDerWaalsContact CD2-O 3.24Å; Y130-P212 WeakPolarHBondContact CD2-O 3.46Å; L174-P212 HydrophobicContact CD1-CB 4.41Å; L174-P212 HydrophobicContact CD1-CG 4.07Å; Y176-P212 HydrophobicContact CE2-CB 4.49Å
213	S	91.5	Very high	93.3	Very high	37 Å²	37	40.7 Å²	40.7	26%	0.259	23%	0.232	S	C	.	.			trans	-118	117	-173.4	-58.8	0	0	0	0	109.2	N211 G215 Q216 I231	N211-S213 PolarHBondContact O-N 3.31Å; N211-S213 PolarHBondContact O-OG 3.27Å; S213-G215 PolarHBondContact O-N 3.15Å; S213-Q216 WeakPolarHBondContact O-CB 3.5Å; S213-Q216 PolarHBondContact O-N 3.36Å; S213-I231 WeakPolarHBondContact O-CB 3.48Å
214	P	92.2	Very high	92.9	Very high	23 Å²	23	43.7 Å²	43.7	15%	0.149	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	137.7	-176.8	-26.8	37.4	0	0	0	112.9	Y130 D133 A134 Q216 P232	Y130-P214 HydrophobicContact CD2-CG 3.72Å; Y130-P214 HydrophobicContact CE2-CG 3.83Å; D133-P214 HydrophobicContact CB-CB 3.82Å; D133-P214 HydrophobicContact CB-CG 3.97Å; A134-P214 HydrophobicContact CB-CG 3.95Å; P214-Q216 VanDerWaalsContact C-N 3.31Å; P214-P232 WeakPolarHBondContact CB-O 3.19Å
215	G	89.8	Confident	92.8	Very high	44 Å²	44	42.9 Å²	42.9	45%	0.454	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-2.2	-178.9	0	0	0	0	0	115	S213 I231	S213-G215 PolarHBondContact O-N 3.15Å; G215-I231 WeakPolarHBondContact CA-O 3.41Å; G215-I231 PolarHBondContact N-O 2.83Å
216	Q	90.1	Very high	92.8	Very high	102 Å²	102	42.3 Å²	42.3	48%	0.477	26%	0.261	S	S	.	.			trans	-100.1	144.4	-179.1	-62.2	-170.8	-6	0	0	112.7	S213 P214 L218 I231	S213-Q216 WeakPolarHBondContact O-CB 3.5Å; S213-Q216 PolarHBondContact O-N 3.36Å; P214-Q216 VanDerWaalsContact C-N 3.31Å; Q216-L218 HydrophobicContact CB-CD2 4.02Å; Q216-I231 PolarHBondContact O-N 3.17Å
217	T	91.9	Very high	92.7	Very high	79 Å²	79	42.4 Å²	42.4	49%	0.485	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.4	165.8	-54.9	0	0	0	0	108.8	Q228 V229 I230	T217-Q228 HydrophobicContact CG2-CG 3.7Å; T217-V229 CarbonylContact C-O 3.49Å; T217-V229 VanDerWaalsContact CA-O 3.27Å; T217-V229 WeakPolarHBondContact CA-O 3.12Å; T217-I230 HydrophobicContact CG2-CG1 4.33Å
218	L	93.6	Very high	92.7	Very high	9 Å²	9	44 Å²	44	5%	0.047	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144	-178.5	-52.9	-178.8	0	0	0	109.9	W59 P210 Q216 L220 Q228 V229 I231	W59-L218 HydrophobicContact CH2-CD1 3.95Å; W59-L218 HydrophobicContact CZ2-CD1 3.82Å; P210-L218 HydrophobicContact CB-CD2 4.08Å; P210-L218 HydrophobicContact CG-CB 3.96Å; P210-L218 HydrophobicContact CG-CD1 4.18Å; P210-L218 HydrophobicContact CG-CD2 3.85Å; P210-L218 HydrophobicContact CG-CG 4.21Å; Q216-L218 HydrophobicContact CB-CD2 4.02Å; L218-L220 HydrophobicContact CB-CD2 4.02Å; L218-Q228 WeakPolarHBondContact O-CA 3.47Å; L218-V229 HydrophobicContact CB-CG2 3.92Å; L218-V229 PolarHBondContact N-O 3.37Å; L218-V229 PolarHBondContact O-N 2.83Å; L218-I231 HydrophobicContact CD1-CD1 3.99Å; L218-I231 HydrophobicContact CD1-CG1 3.58Å; L218-I231 HydrophobicContact CG-CG1 4.1Å
219	N	94.4	Very high	92.8	Very high	75 Å²	75	37.7 Å²	37.7	40%	0.401	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.3	170.1	-65.7	-37.6	0	0	0	107.5	P221 V226 Q228	N219-P221 WeakPolarHBondContact O-CD 3.41Å; N219-V226 HydrophobicContact CB-CG1 3.74Å; N219-Q228 PolarHBondContact OD1-NE2 3.4Å; N219-Q228 VanDerWaalsContact OD1-NE2 3.09Å
220	L	95.3	Very high	92.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	95.6	-174.3	-53.3	-178.3	0	0	0	108.4	W59 L179 W209 P210 L218 L227 V229	W59-L220 HydrophobicContact CH2-CD1 3.91Å; W59-L220 HydrophobicContact CH2-CD2 4.08Å; W59-L220 HydrophobicContact CZ2-CD1 4.42Å; W59-L220 HydrophobicContact CZ2-CD2 3.82Å; W59-L220 HydrophobicContact CZ3-CD1 4.27Å; L179-L220 HydrophobicContact CD1-CD1 4.02Å; L179-L220 HydrophobicContact CD2-CD1 4.05Å; W209-L220 HydrophobicContact CB-CD2 4.05Å; W209-L220 HydrophobicContact CD2-CB 4.03Å; W209-L220 HydrophobicContact CD2-CD1 4.5Å; W209-L220 HydrophobicContact CD2-CD2 3.88Å; W209-L220 HydrophobicContact CD2-CG 4.34Å; W209-L220 HydrophobicContact CE3-CB 4.46Å; W209-L220 HydrophobicContact CE3-CD1 4.14Å; W209-L220 HydrophobicContact CE3-CD2 4.07Å; W209-L220 HydrophobicContact CE3-CG 4.46Å; W209-L220 HydrophobicContact CG-CB 4.46Å; W209-L220 HydrophobicContact CG-CD2 3.89Å; W209-L220 HydrophobicContact CH2-CB 4.47Å; W209-L220 HydrophobicContact CH2-CD1 4.47Å; W209-L220 HydrophobicContact CZ2-CB 4.02Å; W209-L220 HydrophobicContact CZ3-CD1 4.13Å; P210-L220 HydrophobicContact CG-CD2 4.22Å; L218-L220 HydrophobicContact CB-CD2 4.02Å; L220-L227 HydrophobicContact CB-CB 4.29Å; L220-L227 PolarHBondContact N-O 2.63Å; L220-L227 PolarHBondContact O-N 2.91Å; L220-V229 HydrophobicContact CD1-CG1 4.12Å; L220-V229 HydrophobicContact CD1-CG2 3.65Å; L220-V229 HydrophobicContact CG-CG2 3.99Å
221	P	94.4	Very high	92.6	Very high	41 Å²	41	37.9 Å²	37.9	27%	0.266	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	133.1	176.3	29.6	-35.5	0	0	0	110.4	E205 W209 N219 V225 V226	E205-P221 HydrophobicContact CG-CB 4.31Å; E205-P221 HydrophobicContact CG-CG 4.32Å; E205-P221 WeakPolarHBondContact CG-O 3.5Å; E205-P221 WeakPolarHBondContact OE1-CB 3.27Å; W209-P221 PolarHBondContact NE1-O 3.25Å; N219-P221 WeakPolarHBondContact O-CD 3.41Å; P221-V225 CarbonylContact C-O 3.58Å; P221-V225 WeakPolarHBondContact CA-O 3.21Å; P221-V226 HydrophobicContact CB-CG2 4.45Å
222	V	93.2	Very high	92.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	116.1	174.6	59.1	0	0	0	0	109.8	V183 I186 I187 E205 W209 G224 V225 L227	V183-V222 HydrophobicContact CG1-CG2 4.41Å; I186-V222 HydrophobicContact CD1-CG1 3.93Å; I187-V222 HydrophobicContact CG2-CG2 3.7Å; E205-V222 VanDerWaalsContact CD-CA 3.5Å; E205-V222 VanDerWaalsContact OE1-CA 3.29Å; E205-V222 WeakPolarHBondContact OE1-CA 3.43Å; E205-V222 PolarHBondContact OE1-N 2.91Å; W209-V222 HydrophobicContact CZ2-CB 4.32Å; V222-G224 PolarHBondContact O-N 2.72Å; V222-V225 PolarHBondContact N-O 3.28Å; V222-V225 PolarHBondContact O-N 3.27Å; V222-L227 HydrophobicContact CG1-CD1 3.89Å; V222-L227 HydrophobicContact CG1-CG 3.98Å
223	V	91.2	Very high	92.5	Very high	41 Å²	41	35.5 Å²	35.5	25%	0.248	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	57.2	172.4	-168.6	0	0	0	0	112.2	I186 I187 F198 V202 E205 V225	I186-V223 HydrophobicContact CG2-CB 3.91Å; I186-V223 HydrophobicContact CG2-CG2 4.34Å; I187-V223 HydrophobicContact CG2-CG2 3.99Å; F198-V223 HydrophobicContact CE2-CG1 3.88Å; F198-V223 HydrophobicContact CE2-CG2 4.06Å; F198-V223 HydrophobicContact CZ-CG1 3.91Å; F198-V223 HydrophobicContact CZ-CG2 3.66Å; V202-V223 HydrophobicContact CG2-CG2 3.62Å; E205-V223 PolarHBondContact OE1-N 2.96Å; E205-V223 PolarHBondContact OE2-N 3.14Å; V223-V225 PolarHBondContact O-N 3.29Å; V223-V225 VanDerWaalsContact O-N 3.11Å
224	G	87.3	Confident	92.2	Very high	64 Å²	64	38.3 Å²	38.3	66%	0.66	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	2.6	176.4	0	0	0	0	0	115.3	V222	V222-G224 PolarHBondContact O-N 2.72Å
225	V	91.4	Very high	91.6	Very high	46 Å²	46	43 Å²	43	28%	0.279	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.8	171.8	-178.1	0	0	0	0	108.9	P221 V222 V223 L227	P221-V225 CarbonylContact C-O 3.58Å; P221-V225 WeakPolarHBondContact CA-O 3.21Å; V222-V225 PolarHBondContact N-O 3.28Å; V222-V225 PolarHBondContact O-N 3.27Å; V223-V225 PolarHBondContact O-N 3.29Å; V223-V225 VanDerWaalsContact O-N 3.11Å; V225-L227 HydrophobicContact CG1-CD2 4.35Å
226	V	93.9	Very high	91.1	Very high	34 Å²	34	44.4 Å²	44.4	21%	0.206	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.2	170.9	-178.7	0	0	0	0	108.6	N219 P221 P255 T256	N219-V226 HydrophobicContact CB-CG1 3.74Å; P221-V226 HydrophobicContact CB-CG2 4.45Å; V226-P255 HydrophobicContact CB-CB 4.32Å; V226-P255 HydrophobicContact CG1-CB 4.24Å; V226-P255 CarbonylContact O-C 3.38Å; V226-P255 VanDerWaalsContact O-CA 3.24Å; V226-P255 WeakPolarHBondContact O-CA 3.46Å; V226-T256 PolarHBondContact O-N 2.98Å
227	L	94.6	Very high	90.1	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116.1	174	-62.1	178.2	0	0	0	109.4	L179 V183 I186 L220 V222 V225 T256	L179-L227 HydrophobicContact CD1-CD1 4.13Å; V183-L227 HydrophobicContact CG2-CD1 3.9Å; I186-L227 HydrophobicContact CD1-CD1 4.41Å; I186-L227 HydrophobicContact CD1-CD2 4.27Å; L220-L227 HydrophobicContact CB-CB 4.29Å; L220-L227 PolarHBondContact N-O 2.63Å; L220-L227 PolarHBondContact O-N 2.91Å; V222-L227 HydrophobicContact CG1-CD1 3.89Å; V222-L227 HydrophobicContact CG1-CG 3.98Å; V225-L227 HydrophobicContact CG1-CD2 4.35Å; L227-T256 WeakPolarHBondContact CA-O 3.35Å; L227-T256 HydrophobicContact CD2-CG2 4.22Å
228	Q	94.7	Very high	88.5	Confident	58 Å²	58	48.5 Å²	48.5	27%	0.271	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	120	172.2	-179.6	171	84.6	0	0	109.9	T217 L218 N219 P255 T256 L257 L258	T217-Q228 HydrophobicContact CG2-CG 3.7Å; L218-Q228 WeakPolarHBondContact O-CA 3.47Å; N219-Q228 PolarHBondContact OD1-NE2 3.4Å; N219-Q228 VanDerWaalsContact OD1-NE2 3.09Å; Q228-P255 HydrophobicContact CB-CB 3.92Å; Q228-T256 PolarHBondContact N-O 3.21Å; Q228-L257 HydrophobicContact CG-CD1 4.41Å; Q228-L258 PolarHBondContact O-N 3.24Å
229	V	94.3	Very high	86.6	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	153.5	-175.1	-59.1	0	0	0	0	111	L179 T217 L218 L220 I231 L258 I261	L179-V229 HydrophobicContact CD1-CG1 4.01Å; T217-V229 CarbonylContact C-O 3.49Å; T217-V229 VanDerWaalsContact CA-O 3.27Å; T217-V229 WeakPolarHBondContact CA-O 3.12Å; L218-V229 HydrophobicContact CB-CG2 3.92Å; L218-V229 PolarHBondContact N-O 3.37Å; L218-V229 PolarHBondContact O-N 2.83Å; L220-V229 HydrophobicContact CD1-CG1 4.12Å; L220-V229 HydrophobicContact CD1-CG2 3.65Å; L220-V229 HydrophobicContact CG-CG2 3.99Å; V229-I231 HydrophobicContact CG2-CD1 4.14Å; V229-L258 HydrophobicContact CG1-CB 3.98Å; V229-L258 HydrophobicContact CG1-CD2 4.05Å; V229-I261 HydrophobicContact CB-CG2 3.67Å; V229-I261 HydrophobicContact CG1-CG2 3.88Å; V229-I261 HydrophobicContact CG2-CG2 4.45Å
230	I	92	Very high	84.5	Confident	54 Å²	54	50.4 Å²	50.4	28%	0.277	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.5	167.2	-56.6	177.7	0	0	0	108	T217 P232	T217-I230 HydrophobicContact CG2-CG1 4.33Å; I230-P232 WeakPolarHBondContact O-CD 3.32Å
231	I	93.6	Very high	81.9	Confident	0 Å²	0	56 Å²	56	0%	0	36%	0.355	C	S	.	.			trans	-81.9	118.6	174.5	-51.9	-53.9	0	0	0	108.6	W59 Y130 Y176 S213 G215 Q216 L218 V229 I261	W59-I231 HydrophobicContact CH2-CD1 3.95Å; W59-I231 HydrophobicContact CZ3-CD1 4.43Å; Y130-I231 HydrophobicContact CE2-CG2 4.02Å; Y176-I231 HydrophobicContact CE2-CD1 4.28Å; Y176-I231 WeakPolarHBondContact OH-CG2 3.23Å; S213-I231 WeakPolarHBondContact O-CB 3.48Å; G215-I231 WeakPolarHBondContact CA-O 3.41Å; G215-I231 PolarHBondContact N-O 2.83Å; Q216-I231 PolarHBondContact O-N 3.17Å; L218-I231 HydrophobicContact CD1-CD1 3.99Å; L218-I231 HydrophobicContact CD1-CG1 3.58Å; L218-I231 HydrophobicContact CG-CG1 4.1Å; V229-I231 HydrophobicContact CG2-CD1 4.14Å; I231-I261 HydrophobicContact CD1-CD1 3.85Å
232	P	91.4	Very high	79.6	Confident	20 Å²	20	56.9 Å²	56.9	13%	0.13	36%	0.36	C	S	.	.			trans	-63.3	142.7	-177.2	-24.3	35.4	0	0	0	113	P135 L138 P214 I230 D236 I261	P135-P232 WeakPolarHBondContact CD-O 3.3Å; P135-P232 HydrophobicContact CG-CB 3.99Å; L138-P232 HydrophobicContact CD1-CB 3.92Å; L138-P232 HydrophobicContact CD1-CG 3.76Å; P214-P232 WeakPolarHBondContact CB-O 3.19Å; I230-P232 WeakPolarHBondContact O-CD 3.32Å; P232-D236 WeakPolarHBondContact CA-OD2 3.35Å; P232-I261 VanDerWaalsContact CD-CD1 3.41Å; P232-I261 HydrophobicContact CG-CD1 4.33Å; P232-I261 HydrophobicContact CG-CG1 4.36Å
233	S	91	Very high	77.3	Confident	13 Å²	13	59.9 Å²	59.9	9%	0.091	38%	0.379	C	S	.	.			trans	-114	153.1	175.1	177.2	0	0	0	0	112	D133 T235 D236	D133-S233 CarbonylContact O-C 3.5Å; D133-S233 WeakPolarHBondContact O-CA 3.47Å; S233-T235 PolarHBondContact O-N 2.9Å; S233-T235 PolarHBondContact OG-N 2.93Å; S233-T235 PolarHBondContact OG-OG1 3.1Å; S233-D236 PolarHBondContact N-OD2 2.93Å; S233-D236 WeakPolarHBondContact O-CB 3.36Å; S233-D236 PolarHBondContact O-N 3.23Å; S233-D236 VanDerWaalsContact O-N 3.12Å
234	K	85.3	Confident	75	Confident	96 Å²	96	67.5 Å²	67.5	42%	0.417	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.8	170.1	-72.8	178.1	-171.7	178.6	0	113.1	N131 R132 D133 A134 D236	N131-K234 PolarHBondContact O-NZ 3.36Å; R132-K234 WeakPolarHBondContact O-CD 3.38Å; R132-K234 WeakPolarHBondContact O-CE 3.09Å; R132-K234 PolarHBondContact O-NZ 3.22Å; D133-K234 WeakPolarHBondContact O-CG 3.32Å; D133-K234 PolarHBondContact O-N 3.37Å; A134-K234 WeakPolarHBondContact O-CE 3.42Å; A134-K234 WeakPolarHBondContact O-CG 3.4Å; K234-D236 VanDerWaalsContact C-N 3.34Å
235	T	79.8	Confident	72.9	Confident	122 Å²	122	72.1 Å²	72.1	75%	0.748	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-8.5	-179.5	55.2	0	0	0	0	113.5	S233	S233-T235 PolarHBondContact O-N 2.9Å; S233-T235 PolarHBondContact OG-N 2.93Å; S233-T235 PolarHBondContact OG-OG1 3.1Å
236	D	80.6	Confident	70.6	Confident	73 Å²	73	76.9 Å²	76.9	39%	0.39	44%	0.435	S	S	.	.	S	Bend	trans	-67.9	140.4	-178.3	-65.9	-17.8	0	0	0	110.5	P232 S233 K234 P238	P232-D236 WeakPolarHBondContact CA-OD2 3.35Å; S233-D236 PolarHBondContact N-OD2 2.93Å; S233-D236 WeakPolarHBondContact O-CB 3.36Å; S233-D236 PolarHBondContact O-N 3.23Å; S233-D236 VanDerWaalsContact O-N 3.12Å; K234-D236 VanDerWaalsContact C-N 3.34Å; D236-P238 VanDerWaalsContact O-CD 3.26Å; D236-P238 WeakPolarHBondContact O-CD 3.23Å
237	K	68.8	Low	68	Low	185 Å²	185	80.7 Å²	80.7	80%	0.804	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-66	121.4	176.1	-71.1	-174.6	-179.6	179.9	0	109	G239 G240	K237-G239 PolarHBondContact O-N 2.99Å; K237-G239 VanDerWaalsContact O-N 3.14Å; K237-G240 PolarHBondContact O-N 3.42Å; K237-G240 VanDerWaalsContact O-N 3.08Å
238	P	58.8	Low	65.5	Low	82 Å²	82	87.2 Å²	87.2	53%	0.532	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	119.9	178.3	-23.6	34.7	0	0	0	110.4	D236 L436	D236-P238 VanDerWaalsContact O-CD 3.26Å; D236-P238 WeakPolarHBondContact O-CD 3.23Å; P238-L436 HydrophobicContact CB-CD1 3.91Å; P238-L436 HydrophobicContact CB-CD2 3.62Å; P238-L436 HydrophobicContact CB-CG 4.27Å
239	G	52.8	Low	63.2	Low	72 Å²	72	93.5 Å²	93.5	74%	0.742	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	14	-179.8	0	0	0	0	0	116	K237	K237-G239 PolarHBondContact O-N 2.99Å; K237-G239 VanDerWaalsContact O-N 3.14Å
240	G	49.4	Very low	61.2	Low	52 Å²	52	98 Å²	98	54%	0.536	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-65.6	136.3	166.1	0	0	0	0	0	111.2	K237	K237-G240 PolarHBondContact O-N 3.42Å; K237-G240 VanDerWaalsContact O-N 3.08Å
241	S	41.5	Very low	59.4	Low	119 Å²	119	99.5 Å²	99.5	83%	0.832	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-59.4	132.8	169.2	-74.6	0	0	0	0	109.4
242	P	45.1	Very low	57.6	Low	58 Å²	58	107.4 Å²	107.4	38%	0.377	61%	0.609	S	S	.	*	S	Bend	trans	-65.6	142.3	167.1	26	-28.1	0	0	0	108.8	P259	P242-P259 WeakPolarHBondContact CB-O 3.29Å; P242-P259 HydrophobicContact CG-CB 3.85Å; P242-P259 VanDerWaalsContact CG-O 3.27Å; P242-P259 WeakPolarHBondContact CG-O 3.41Å
243	V	46.1	Very low	56.2	Low	64 Å²	64	110 Å²	110	39%	0.388	63%	0.626	S	S	.	*			trans	93.9	98.2	170.5	-164.2	0	0	0	0	116.8	Q245 L257	V243-Q245 HydrophobicContact CG1-CG 3.93Å; V243-L257 HydrophobicContact CG2-CD1 4.06Å; V243-L257 HydrophobicContact CG2-CD2 3.82Å
244	K	42.8	Very low	55.5	Low	201 Å²	201	112.8 Å²	112.8	87%	0.874	65%	0.65	S	S	*	*			trans	-85	122.9	131.3	-81.4	-176.3	175.3	-177.2	0	106.4	I246	K244-I246 PolarHBondContact O-N 2.78Å
245	Q	43.5	Very low	55.3	Low	160 Å²	160	110.2 Å²	110.2	75%	0.748	64%	0.643	S	S	*	*			trans	-62.2	120	170.8	-74.2	177.1	-23.9	0	0	108.2	V243 T247	V243-Q245 HydrophobicContact CG1-CG 3.93Å; Q245-T247 PolarHBondContact O-N 2.84Å
246	I	41.7	Very low	55.7	Low	146 Å²	146	108 Å²	108	75%	0.749	63%	0.629	S	S	*	*			trans	-90.4	91.6	157.3	-58.8	174.3	0	0	0	104.6	K244 N248	K244-I246 PolarHBondContact O-N 2.78Å; I246-N248 PolarHBondContact O-N 3.03Å; I246-N248 VanDerWaalsContact O-N 3.1Å
247	T	39.5	Very low	56.1	Low	115 Å²	115	108.4 Å²	108.4	71%	0.706	63%	0.631	S	S	*	*			trans	-67.2	98.7	165.3	39.4	0	0	0	0	107.9	Q245	Q245-T247 PolarHBondContact O-N 2.84Å
248	N	42.4	Very low	57	Low	140 Å²	140	100.2 Å²	100.2	75%	0.749	60%	0.596	S	S	*	*	S	Bend	trans	-140.6	117.9	156	-86.6	-18.2	0	0	0	106.3	I246	I246-N248 PolarHBondContact O-N 3.03Å; I246-N248 VanDerWaalsContact O-N 3.1Å
249	E	46.9	Very low	58.1	Low	191 Å²	191	99.4 Å²	99.4	89%	0.893	59%	0.591	S	S	*	*			trans	25.9	98.3	173.7	-62	-172.4	164.1	0	0	116.2	P251	E249-P251 VanDerWaalsContact O-CD 3.29Å; E249-P251 WeakPolarHBondContact O-CD 3.5Å
250	S	51.7	Low	59.7	Low	95 Å²	95	97.2 Å²	97.2	66%	0.664	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-65	120.1	176.5	54.2	0	0	0	0	110.7
251	P	54.8	Low	61.8	Low	85 Å²	85	94.8 Å²	94.8	55%	0.552	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-58.8	140.9	164.2	-14.1	27.7	0	0	0	108.9	E249 P253	E249-P251 VanDerWaalsContact O-CD 3.29Å; E249-P251 WeakPolarHBondContact O-CD 3.5Å; P251-P253 CarbonylContact O-C 3.56Å
252	L	55.2	Low	64.2	Low	166 Å²	166	91.5 Å²	91.5	87%	0.869	51%	0.509	S	S	*	.	S	Bend	trans	-86.6	131.5	164.8	-74.8	163.8	0	0	0	107.8
253	P	61.7	Low	66.3	Low	75 Å²	75	91.4 Å²	91.4	49%	0.487	50%	0.504	S	S	.	.	S	Bend	cis	-76.1	152.4	-1.3	30.2	-32.9	0	0	0	113.6	P251	P251-P253 CarbonylContact O-C 3.56Å
254	A	76.9	Confident	68.5	Low	71 Å²	71	89.5 Å²	89.5	59%	0.587	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-59.3	132.9	-179.1	0	0	0	0	0	111.2	T256	A254-T256 PolarHBondContact O-N 2.88Å
255	P	81.7	Confident	70.8	Confident	43 Å²	43	82 Å²	82	28%	0.279	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-67.7	136.9	-176.3	26	-32.9	0	0	0	111.4	V226 Q228 L257	V226-P255 HydrophobicContact CB-CB 4.32Å; V226-P255 HydrophobicContact CG1-CB 4.24Å; V226-P255 CarbonylContact O-C 3.38Å; V226-P255 VanDerWaalsContact O-CA 3.24Å; V226-P255 WeakPolarHBondContact O-CA 3.46Å; Q228-P255 HydrophobicContact CB-CB 3.92Å; P255-L257 PolarHBondContact O-N 3Å
256	T	88.4	Confident	73.3	Confident	74 Å²	74	74.6 Å²	74.6	45%	0.454	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	113.4	169.4	-62.4	0	0	0	0	108.4	V226 L227 Q228 A254 L258	V226-T256 PolarHBondContact O-N 2.98Å; L227-T256 WeakPolarHBondContact CA-O 3.35Å; L227-T256 HydrophobicContact CD2-CG2 4.22Å; Q228-T256 PolarHBondContact N-O 3.21Å; A254-T256 PolarHBondContact O-N 2.88Å; T256-L258 PolarHBondContact O-N 3.2Å
257	L	87.6	Confident	75.8	Confident	82 Å²	82	67.9 Å²	67.9	43%	0.429	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123.2	180	180	71.5	0	0	0	110.6	Q228 V243 P255 P259	Q228-L257 HydrophobicContact CG-CD1 4.41Å; V243-L257 HydrophobicContact CG2-CD1 4.06Å; V243-L257 HydrophobicContact CG2-CD2 3.82Å; P255-L257 PolarHBondContact O-N 3Å; L257-P259 WeakPolarHBondContact O-CD 3.41Å
258	L	88	Confident	78.3	Confident	13 Å²	13	65.6 Å²	65.6	7%	0.068	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	102	169.2	-159.7	72.6	0	0	0	108.7	H178 L179 Q228 V229 T256 T260	H178-L258 WeakPolarHBondContact CD2-CD1 3.42Å; H178-L258 VanDerWaalsContact NE2-CD1 3.35Å; H178-L258 WeakPolarHBondContact NE2-CD1 3.46Å; L179-L258 HydrophobicContact CB-CD2 4.19Å; L179-L258 HydrophobicContact CD1-CD2 3.99Å; Q228-L258 PolarHBondContact O-N 3.24Å; V229-L258 HydrophobicContact CG1-CB 3.98Å; V229-L258 HydrophobicContact CG1-CD2 4.05Å; T256-L258 PolarHBondContact O-N 3.2Å; L258-T260 WeakPolarHBondContact CG-O 3.39Å; L258-T260 PolarHBondContact O-N 3.03Å; L258-T260 VanDerWaalsContact O-N 3.14Å
259	P	81.6	Confident	80.7	Confident	65 Å²	65	59.3 Å²	59.3	42%	0.422	34%	0.339	S	S	.	.	S	Bend	trans	-64.1	-26.1	-170.2	24.4	-33.8	0	0	0	112.8	P242 L257	P242-P259 WeakPolarHBondContact CB-O 3.29Å; P242-P259 HydrophobicContact CG-CB 3.85Å; P242-P259 VanDerWaalsContact CG-O 3.27Å; P242-P259 WeakPolarHBondContact CG-O 3.41Å; L257-P259 WeakPolarHBondContact O-CD 3.41Å
260	T	87.1	Confident	83	Confident	27 Å²	27	50.3 Å²	50.3	17%	0.166	30%	0.297	C	S	.	.			trans	-144.4	144.7	178.8	78.3	0	0	0	0	109.4	H178 L258 E263	H178-T260 PolarHBondContact CD2-O 2.95Å; L258-T260 WeakPolarHBondContact CG-O 3.39Å; L258-T260 PolarHBondContact O-N 3.03Å; L258-T260 VanDerWaalsContact O-N 3.14Å; T260-E263 HydrophobicContact CG2-CB 4.15Å; T260-E263 HydrophobicContact CG2-CG 3.96Å; T260-E263 WeakPolarHBondContact CG2-OE2 3.48Å; T260-E263 WeakPolarHBondContact OG1-CB 3.33Å
261	I	92.9	Very high	84.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-95.9	-14	179.6	62.6	178.5	0	0	0	113.9	Y176 H178 L179 V229 I231 P232	Y176-I261 CarbonylContact C-O 3.53Å; Y176-I261 WeakPolarHBondContact CA-O 3.42Å; Y176-I261 HydrophobicContact CD1-CD1 3.56Å; Y176-I261 HydrophobicContact CD1-CG1 3.92Å; Y176-I261 HydrophobicContact CD2-CD1 3.81Å; Y176-I261 HydrophobicContact CE1-CD1 3.41Å; Y176-I261 VanDerWaalsContact CE1-CD1 3.41Å; Y176-I261 HydrophobicContact CE1-CG1 4.19Å; Y176-I261 HydrophobicContact CE2-CD1 3.62Å; Y176-I261 HydrophobicContact CG-CB 4.41Å; Y176-I261 HydrophobicContact CG-CD1 3.76Å; Y176-I261 HydrophobicContact CG-CG1 4.13Å; Y176-I261 VanDerWaalsContact CZ-CD1 3.41Å; H178-I261 WeakPolarHBondContact CB-O 3.3Å; H178-I261 PolarHBondContact N-O 3.31Å; L179-I261 HydrophobicContact CB-CB 4.12Å; L179-I261 HydrophobicContact CB-CG2 4.44Å; L179-I261 PolarHBondContact N-O 2.56Å; V229-I261 HydrophobicContact CB-CG2 3.67Å; V229-I261 HydrophobicContact CG1-CG2 3.88Å; V229-I261 HydrophobicContact CG2-CG2 4.45Å; I231-I261 HydrophobicContact CD1-CD1 3.85Å; P232-I261 VanDerWaalsContact CD-CD1 3.41Å; P232-I261 HydrophobicContact CG-CD1 4.33Å; P232-I261 HydrophobicContact CG-CG1 4.36Å
262	H	91.8	Very high	86.5	Confident	51 Å²	51	44.9 Å²	44.9	24%	0.236	26%	0.256	C	S	.	.	S	Bend	trans	-134.3	-17.6	-169.7	66.4	-80.3	0	0	0	113.7	L138	L138-H262 HydrophobicContact CD2-CB 3.76Å
263	E	89.9	Confident	88.3	Confident	56 Å²	56	37.1 Å²	37.1	26%	0.262	22%	0.216	S	C	.	.			trans	-75.5	133.9	-172.6	-59	-169.5	156.1	0	0	111.5	T260 R432	T260-E263 HydrophobicContact CG2-CB 4.15Å; T260-E263 HydrophobicContact CG2-CG 3.96Å; T260-E263 WeakPolarHBondContact CG2-OE2 3.48Å; T260-E263 WeakPolarHBondContact OG1-CB 3.33Å; E263-R432 VanDerWaalsContact CD-CZ 3.49Å; E263-R432 VanDerWaalsContact OE1-CD 3.26Å; E263-R432 WeakPolarHBondContact OE1-CD 3.47Å; E263-R432 IonicContact OE1-CZ 3.62Å; E263-R432 IonicContact OE1-NE 3.7Å; E263-R432 IonicContact OE2-CZ 3.31Å; E263-R432 IonicContact OE2-NE 3.82Å; E263-R432 PolarHBondContact OE2-NE 3.04Å; E263-R432 IonicContact OE2-NH1 3.99Å; E263-R432 PolarHBondContact OE2-NH1 3.05Å; E263-R432 IonicContact OE2-NH2 3.64Å; E263-R432 PolarHBondContact OE2-NH2 2.82Å
264	L	91.3	Very high	89.7	Confident	23 Å²	23	33.6 Å²	33.6	12%	0.12	19%	0.193	C	C	.	.			trans	-92.2	161.9	174.5	-67	165.2	0	0	0	111.2	T177 L266 E302 L305 A306 S428 R432	T177-L264 HydrophobicContact CG2-CD2 4Å; L264-L266 VanDerWaalsContact C-N 3.29Å; L264-L266 PolarHBondContact O-N 2.79Å; L264-E302 HydrophobicContact CD2-CG 4.35Å; L264-L305 HydrophobicContact CD1-CB 3.37Å; L264-L305 HydrophobicContact CD1-CD1 4.4Å; L264-A306 HydrophobicContact CD1-CB 4.45Å; L264-S428 PolarHBondContact O-OG 2.9Å; L264-R432 PolarHBondContact O-NH2 3.25Å
265	D	92.9	Very high	90.5	Very high	44 Å²	44	32.5 Å²	32.5	24%	0.235	18%	0.177	C	C	.	.			trans	-73.2	85.3	164.4	-172	-11.3	0	0	0	110.3	F267 K268 C269 S424	D265-F267 PolarHBondContact O-N 2.89Å; D265-F267 PolarHBondContact OD1-N 2.92Å; D265-F267 VanDerWaalsContact OD1-N 3.13Å; D265-K268 HydrophobicContact CB-CB 3.94Å; D265-K268 VanDerWaalsContact CG-CB 3.44Å; D265-K268 PolarHBondContact O-N 3.43Å; D265-K268 PolarHBondContact OD1-N 3.09Å; D265-K268 WeakPolarHBondContact OD2-CB 3.14Å; D265-C269 PolarHBondContact O-N 3.37Å; D265-C269 VanDerWaalsContact O-N 3.17Å; D265-C269 PolarHBondContact O-SG 2.56Å; D265-S424 PolarHBondContact OD1-OG 3.31Å; D265-S424 VanDerWaalsContact OD1-OG 3.08Å; D265-S424 WeakPolarHBondContact OD2-CB 3.4Å; D265-S424 PolarHBondContact OD2-OG 3.29Å
266	L	94.4	Very high	91.1	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-32.4	178.7	-59.8	-174.9	0	0	0	112	L264 C269 F270 A306 S428 L431 R432 L435	L264-L266 VanDerWaalsContact C-N 3.29Å; L264-L266 PolarHBondContact O-N 2.79Å; L266-C269 PolarHBondContact O-N 2.9Å; L266-F270 HydrophobicContact CB-CD2 4.2Å; L266-F270 HydrophobicContact CB-CE2 4.32Å; L266-F270 HydrophobicContact CD2-CE2 4.3Å; L266-F270 WeakPolarHBondContact O-CB 3.21Å; L266-F270 WeakPolarHBondContact O-CD2 3.48Å; L266-F270 WeakPolarHBondContact O-CG 3.47Å; L266-F270 PolarHBondContact O-N 3.3Å; L266-A306 HydrophobicContact CD2-CB 3.63Å; L266-S428 PolarHBondContact N-OG 3.5Å; L266-L431 HydrophobicContact CB-CD2 4.05Å; L266-L431 HydrophobicContact CB-CG 4.47Å; L266-R432 HydrophobicContact CD1-CB 3.94Å; L266-R432 HydrophobicContact CD1-CG 4.22Å; L266-L435 HydrophobicContact CD1-CD1 4.28Å
267	F	94.2	Very high	91.5	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.022	15%	0.151	C	C	.	.	H	α-helix	trans	-67.8	-48	-179.9	179.6	-98.8	0	0	0	110.6	D265 C269 F270 Q271 L274 L414 I418 Q427	D265-F267 PolarHBondContact O-N 2.89Å; D265-F267 PolarHBondContact OD1-N 2.92Å; D265-F267 VanDerWaalsContact OD1-N 3.13Å; F267-C269 VanDerWaalsContact C-N 3.28Å; F267-C269 PolarHBondContact O-N 3.41Å; F267-F270 PolarHBondContact O-N 2.94Å; F267-Q271 HydrophobicContact CE1-CG 4.27Å; F267-Q271 HydrophobicContact CZ-CG 4.13Å; F267-Q271 WeakPolarHBondContact O-CA 3.31Å; F267-Q271 WeakPolarHBondContact O-CB 3.48Å; F267-Q271 PolarHBondContact O-N 3.16Å; F267-L274 HydrophobicContact CD2-CD2 4.33Å; F267-L274 HydrophobicContact CE2-CD1 3.75Å; F267-L274 HydrophobicContact CE2-CD2 4.29Å; F267-L274 HydrophobicContact CZ-CD1 4.39Å; F267-L414 HydrophobicContact CD2-CD2 4.42Å; F267-I418 HydrophobicContact CE1-CG1 4.45Å; F267-I418 HydrophobicContact CE2-CD1 4.42Å; F267-I418 HydrophobicContact CE2-CG1 4.36Å; F267-I418 HydrophobicContact CZ-CD1 3.78Å; F267-I418 HydrophobicContact CZ-CG1 3.58Å; F267-Q427 HydrophobicContact CB-CB 3.84Å; F267-Q427 HydrophobicContact CD1-CB 3.94Å; F267-Q427 HydrophobicContact CD2-CB 3.51Å; F267-Q427 HydrophobicContact CD2-CG 4.33Å; F267-Q427 HydrophobicContact CE1-CB 4.46Å; F267-Q427 HydrophobicContact CE2-CB 4.06Å; F267-Q427 HydrophobicContact CE2-CG 4.42Å; F267-Q427 HydrophobicContact CG-CB 3.44Å; F267-Q427 VanDerWaalsContact CG-CB 3.44Å; F267-Q427 HydrophobicContact CG-CG 4.41Å; F267-Q427 VanDerWaalsContact CZ-OE1 3.3Å
268	K	92.5	Very high	91.9	Very high	66 Å²	66	25.4 Å²	25.4	29%	0.287	13%	0.133	S	C	.	.	H	α-helix	trans	-53.6	-45.7	173.6	179.3	-169.5	175.2	-153.6	0	111.6	D265 E302 I369	D265-K268 HydrophobicContact CB-CB 3.94Å; D265-K268 VanDerWaalsContact CG-CB 3.44Å; D265-K268 PolarHBondContact O-N 3.43Å; D265-K268 PolarHBondContact OD1-N 3.09Å; D265-K268 WeakPolarHBondContact OD2-CB 3.14Å; K268-E302 IonicContact NZ-OE1 3.6Å; K268-E302 PolarHBondContact NZ-OE1 3.1Å; K268-E302 IonicContact NZ-OE2 2.65Å; K268-E302 PolarHBondContact NZ-OE2 3Å; K268-I369 HydrophobicContact CG-CD1 4.41Å
269	C	94.1	Very high	92.4	Very high	8 Å²	8	25.8 Å²	25.8	5%	0.054	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-44.6	-179.9	-60.7	0	0	0	0	112.5	D265 L266 F267 A306	D265-C269 PolarHBondContact O-N 3.37Å; D265-C269 VanDerWaalsContact O-N 3.17Å; D265-C269 PolarHBondContact O-SG 2.56Å; L266-C269 PolarHBondContact O-N 2.9Å; F267-C269 VanDerWaalsContact C-N 3.28Å; F267-C269 PolarHBondContact O-N 3.41Å; C269-A306 HydrophobicContact CB-CB 3.78Å
270	F	93.9	Very high	93.1	Very high	2 Å²	2	23 Å²	23	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-94.8	-1.4	-173.2	-62.4	-44.8	0	0	0	114.9	L266 F267 S272 V273 L274 L277 A306 L307 L431	L266-F270 HydrophobicContact CB-CD2 4.2Å; L266-F270 HydrophobicContact CB-CE2 4.32Å; L266-F270 HydrophobicContact CD2-CE2 4.3Å; L266-F270 WeakPolarHBondContact O-CB 3.21Å; L266-F270 WeakPolarHBondContact O-CD2 3.48Å; L266-F270 WeakPolarHBondContact O-CG 3.47Å; L266-F270 PolarHBondContact O-N 3.3Å; F267-F270 PolarHBondContact O-N 2.94Å; F270-S272 PolarHBondContact O-N 2.86Å; F270-V273 HydrophobicContact CB-CG2 4.13Å; F270-V273 HydrophobicContact CD1-CG2 3.98Å; F270-V273 CarbonylContact O-C 3.57Å; F270-V273 WeakPolarHBondContact O-CG2 3.42Å; F270-V273 PolarHBondContact O-N 3.32Å; F270-L274 HydrophobicContact CB-CD2 4.15Å; F270-L274 WeakPolarHBondContact O-CD2 3.24Å; F270-L274 WeakPolarHBondContact O-CG 3.42Å; F270-L274 PolarHBondContact O-N 3.07Å; F270-L277 HydrophobicContact CB-CD2 3.89Å; F270-L277 HydrophobicContact CD1-CD2 4.44Å; F270-L277 HydrophobicContact CD2-CD2 3.83Å; F270-L277 HydrophobicContact CE2-CD2 4.44Å; F270-L277 HydrophobicContact CG-CD2 3.81Å; F270-A306 HydrophobicContact CE1-CB 4.37Å; F270-A306 HydrophobicContact CE2-CB 4.19Å; F270-A306 HydrophobicContact CZ-CB 3.86Å; F270-L307 HydrophobicContact CE1-CD2 3.6Å; F270-L307 HydrophobicContact CE1-CG 3.88Å; F270-L307 HydrophobicContact CZ-CD2 4.06Å; F270-L307 HydrophobicContact CZ-CG 4.29Å; F270-L431 HydrophobicContact CB-CD2 4.25Å; F270-L431 HydrophobicContact CD2-CD2 3.71Å; F270-L431 HydrophobicContact CG-CD2 4.47Å
271	Q	90.4	Very high	93.7	Very high	39 Å²	39	21.8 Å²	21.8	18%	0.182	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-40.6	-173.4	-174.1	178.5	-75.8	0	0	113.6	F267 V273 P376 Q378	F267-Q271 HydrophobicContact CE1-CG 4.27Å; F267-Q271 HydrophobicContact CZ-CG 4.13Å; F267-Q271 WeakPolarHBondContact O-CA 3.31Å; F267-Q271 WeakPolarHBondContact O-CB 3.48Å; F267-Q271 PolarHBondContact O-N 3.16Å; Q271-V273 VanDerWaalsContact C-N 3.35Å; Q271-P376 HydrophobicContact CG-CB 3.97Å; Q271-P376 HydrophobicContact CG-CG 3.55Å; Q271-Q378 PolarHBondContact O-NE2 2.69Å
272	S	89.8	Confident	93.9	Very high	27 Å²	27	21.8 Å²	21.8	19%	0.189	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.4	-178.4	63.2	0	0	0	0	114.1	F270 V379	F270-S272 PolarHBondContact O-N 2.86Å; S272-V379 WeakPolarHBondContact O-CG2 3.22Å; S272-V379 PolarHBondContact O-N 3.04Å
273	V	92.3	Very high	94.3	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.024	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	13.8	-173.1	-63.1	0	0	0	0	113.3	F270 Q271 I275 H276 L277 L280 L366 V379 I396	F270-V273 HydrophobicContact CB-CG2 4.13Å; F270-V273 HydrophobicContact CD1-CG2 3.98Å; F270-V273 CarbonylContact O-C 3.57Å; F270-V273 WeakPolarHBondContact O-CG2 3.42Å; F270-V273 PolarHBondContact O-N 3.32Å; Q271-V273 VanDerWaalsContact C-N 3.35Å; V273-I275 PolarHBondContact O-N 2.61Å; V273-I275 VanDerWaalsContact O-N 3.11Å; V273-H276 WeakPolarHBondContact O-CA 3.32Å; V273-H276 PolarHBondContact O-N 3.38Å; V273-L277 PolarHBondContact O-N 3.08Å; V273-L280 HydrophobicContact CB-CD1 4.02Å; V273-L280 HydrophobicContact CG2-CD1 3.62Å; V273-L366 HydrophobicContact CG1-CD2 4.32Å; V273-V379 HydrophobicContact CG1-CB 4.47Å; V273-I396 HydrophobicContact CB-CD1 4.38Å; V273-I396 HydrophobicContact CG1-CD1 3.99Å; V273-I396 HydrophobicContact CG1-CG1 4.44Å
274	L	92	Very high	94.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-51.9	-39.6	-175.2	-68.7	174.9	0	0	0	113.4	F267 F270 H276 L277 L414 L415 I418	F267-L274 HydrophobicContact CD2-CD2 4.33Å; F267-L274 HydrophobicContact CE2-CD1 3.75Å; F267-L274 HydrophobicContact CE2-CD2 4.29Å; F267-L274 HydrophobicContact CZ-CD1 4.39Å; F270-L274 HydrophobicContact CB-CD2 4.15Å; F270-L274 WeakPolarHBondContact O-CD2 3.24Å; F270-L274 WeakPolarHBondContact O-CG 3.42Å; F270-L274 PolarHBondContact O-N 3.07Å; L274-H276 PolarHBondContact O-N 3.22Å; L274-L277 HydrophobicContact CD2-CD1 4.03Å; L274-L277 WeakPolarHBondContact O-CD1 3.41Å; L274-L277 VanDerWaalsContact O-CG 3.25Å; L274-L277 WeakPolarHBondContact O-CG 3.03Å; L274-L277 PolarHBondContact O-N 3.07Å; L274-L414 HydrophobicContact CD1-CB 4.42Å; L274-L414 HydrophobicContact CD2-CD1 4.17Å; L274-L415 HydrophobicContact CD1-CD2 4.37Å; L274-I418 HydrophobicContact CD1-CD1 4.36Å
275	I	93.3	Very high	95	Very high	48 Å²	48	15.7 Å²	15.7	25%	0.246	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-70	-11.1	-179.2	65	167.6	0	0	0	113.8	V273 Q378 I411	V273-I275 PolarHBondContact O-N 2.61Å; V273-I275 VanDerWaalsContact O-N 3.11Å; I275-Q378 HydrophobicContact CD1-CB 3.87Å; I275-Q378 HydrophobicContact CG1-CB 4.16Å; I275-Q378 HydrophobicContact CG1-CG 4.49Å; I275-Q378 HydrophobicContact CG2-CG 4Å; I275-I411 HydrophobicContact CG2-CG2 3.88Å
276	H	95.3	Very high	95.3	Very high	26 Å²	26	13.9 Å²	13.9	12%	0.12	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-112.7	9.8	-178.5	-53.5	-55.6	0	0	0	112.8	V273 L274 Q278 M279 L280 V379 V381 I396	V273-H276 WeakPolarHBondContact O-CA 3.32Å; V273-H276 PolarHBondContact O-N 3.38Å; L274-H276 PolarHBondContact O-N 3.22Å; H276-Q278 PolarHBondContact O-N 2.71Å; H276-M279 WeakPolarHBondContact O-CB 3.18Å; H276-M279 PolarHBondContact O-N 2.79Å; H276-L280 PolarHBondContact O-N 3.39Å; H276-L280 VanDerWaalsContact O-N 3.08Å; H276-V379 PolarHBondContact NE2-O 2.91Å; H276-V381 VanDerWaalsContact CE1-CG2 3.43Å; H276-V381 WeakPolarHBondContact CE1-CG2 3.22Å; H276-I396 HydrophobicContact CB-CD1 3.82Å; H276-I396 VanDerWaalsContact CD2-CD1 3.43Å; H276-I396 WeakPolarHBondContact CD2-CD1 3.28Å
277	L	95.6	Very high	95.4	Very high	12 Å²	12	13.7 Å²	13.7	6%	0.063	7%	0.069	C	C	.	.	H	α-helix	trans	-51.1	-43	-179.8	-79.2	167.7	0	0	0	113	F270 V273 L274 M279 L280 W281 L414 L431	F270-L277 HydrophobicContact CB-CD2 3.89Å; F270-L277 HydrophobicContact CD1-CD2 4.44Å; F270-L277 HydrophobicContact CD2-CD2 3.83Å; F270-L277 HydrophobicContact CE2-CD2 4.44Å; F270-L277 HydrophobicContact CG-CD2 3.81Å; V273-L277 PolarHBondContact O-N 3.08Å; L274-L277 HydrophobicContact CD2-CD1 4.03Å; L274-L277 WeakPolarHBondContact O-CD1 3.41Å; L274-L277 VanDerWaalsContact O-CG 3.25Å; L274-L277 WeakPolarHBondContact O-CG 3.03Å; L274-L277 PolarHBondContact O-N 3.07Å; L277-M279 VanDerWaalsContact C-N 3.29Å; L277-M279 PolarHBondContact O-N 3.5Å; L277-L280 PolarHBondContact O-N 2.84Å; L277-W281 WeakPolarHBondContact O-CB 3.36Å; L277-W281 PolarHBondContact O-N 2.78Å; L277-L414 HydrophobicContact CD1-CD1 4.48Å; L277-L431 HydrophobicContact CD1-CD1 3.47Å; L277-L431 VanDerWaalsContact CD1-CD1 3.47Å; L277-L431 HydrophobicContact CD1-CD2 4.47Å; L277-L431 HydrophobicContact CD2-CD1 4.11Å; L277-L431 HydrophobicContact CD2-CD2 4.41Å; L277-L431 HydrophobicContact CG-CD1 4.42Å
278	Q	96.7	Very high	95.6	Very high	12 Å²	12	14.5 Å²	14.5	6%	0.056	7%	0.073	C	C	.	.	H	α-helix	trans	-58.2	-41.9	177.6	-175.3	57.5	45.1	0	0	112.3	H276 E282 L404 K406	H276-Q278 PolarHBondContact O-N 2.71Å; Q278-E282 PolarHBondContact NE2-OE1 3.49Å; Q278-E282 WeakPolarHBondContact O-CG 3.27Å; Q278-E282 PolarHBondContact O-N 2.87Å; Q278-E282 VanDerWaalsContact O-N 3.07Å; Q278-L404 HydrophobicContact CG-CB 4.32Å; Q278-K406 HydrophobicContact CB-CB 4.36Å
279	M	97.6	Very high	95.8	Very high	22 Å²	22	11.8 Å²	11.8	11%	0.108	6%	0.062	C	C	.	.	H	α-helix	trans	-66.6	-47.3	178.2	-179	-174	-64.3	0	0	111	H276 L277 W281 E282 L283 V381 I396 T398 Y400 T402	H276-M279 WeakPolarHBondContact O-CB 3.18Å; H276-M279 PolarHBondContact O-N 2.79Å; L277-M279 VanDerWaalsContact C-N 3.29Å; L277-M279 PolarHBondContact O-N 3.5Å; M279-W281 VanDerWaalsContact C-N 3.32Å; M279-W281 PolarHBondContact O-N 3.22Å; M279-E282 PolarHBondContact O-N 3.07Å; M279-L283 HydrophobicContact CG-CD1 4.37Å; M279-L283 VanDerWaalsContact O-CG 3.32Å; M279-L283 WeakPolarHBondContact O-CG 3.21Å; M279-L283 PolarHBondContact O-N 2.91Å; M279-V381 HydrophobicContact CE-CG2 4.24Å; M279-I396 HydrophobicContact SD-CG2 4.47Å; M279-T398 HydrophobicContact CE-CG2 4.36Å; M279-T398 HydrophobicContact SD-CG2 3.66Å; M279-Y400 HydrophobicContact CG-CD1 4.01Å; M279-T402 HydrophobicContact CB-CG2 3.67Å; M279-T402 HydrophobicContact CG-CG2 4.14Å
280	L	98.1	Very high	96	Very high	6 Å²	6	11.4 Å²	11.4	3%	0.031	6%	0.06	C	C	.	.	H	α-helix	trans	-62.3	-42	180	-64.6	174.1	0	0	0	111.3	V273 H276 L277 L283 M284 L307 V364	V273-L280 HydrophobicContact CB-CD1 4.02Å; V273-L280 HydrophobicContact CG2-CD1 3.62Å; H276-L280 PolarHBondContact O-N 3.39Å; H276-L280 VanDerWaalsContact O-N 3.08Å; L277-L280 PolarHBondContact O-N 2.84Å; L280-L283 PolarHBondContact O-N 2.89Å; L280-M284 VanDerWaalsContact O-CG 3.28Å; L280-M284 WeakPolarHBondContact O-CG 3.38Å; L280-M284 PolarHBondContact O-N 3.07Å; L280-L307 HydrophobicContact CB-CD2 3.94Å; L280-L307 HydrophobicContact CD1-CD2 4.23Å; L280-L307 HydrophobicContact CD2-CD2 4.26Å; L280-L307 HydrophobicContact CG-CD2 4.36Å; L280-V364 HydrophobicContact CD2-CG2 4.07Å
281	W	98.3	Very high	96.1	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.008	6%	0.059	C	C	.	.	H	α-helix	trans	-60.7	-45	175	176.8	85	0	0	0	111.9	L277 M279 M284 L285 L404 L435 L438 T439 F442 L499	L277-W281 WeakPolarHBondContact O-CB 3.36Å; L277-W281 PolarHBondContact O-N 2.78Å; M279-W281 VanDerWaalsContact C-N 3.32Å; M279-W281 PolarHBondContact O-N 3.22Å; W281-M284 PolarHBondContact O-N 3.45Å; W281-L285 HydrophobicContact CH2-CD2 3.53Å; W281-L285 HydrophobicContact CZ2-CD1 4.43Å; W281-L285 HydrophobicContact CZ2-CD2 3.92Å; W281-L285 HydrophobicContact CZ3-CD2 3.89Å; W281-L285 WeakPolarHBondContact O-CB 3.21Å; W281-L285 PolarHBondContact O-N 3.46Å; W281-L404 HydrophobicContact CZ3-CD1 4Å; W281-L435 HydrophobicContact CB-CD2 4.37Å; W281-L435 HydrophobicContact CG-CD2 4.38Å; W281-L438 HydrophobicContact CD2-CD2 3.68Å; W281-L438 HydrophobicContact CD2-CG 4.13Å; W281-L438 HydrophobicContact CE3-CD2 3.93Å; W281-L438 HydrophobicContact CE3-CG 4.42Å; W281-L438 HydrophobicContact CG-CD2 4.09Å; W281-L438 HydrophobicContact CH2-CD1 4.05Å; W281-L438 HydrophobicContact CH2-CD2 4.38Å; W281-L438 HydrophobicContact CH2-CG 3.99Å; W281-L438 HydrophobicContact CZ2-CD1 4.2Å; W281-L438 HydrophobicContact CZ2-CD2 4.19Å; W281-L438 HydrophobicContact CZ2-CG 3.69Å; W281-L438 HydrophobicContact CZ3-CD1 4.41Å; W281-L438 HydrophobicContact CZ3-CD2 4.27Å; W281-L438 HydrophobicContact CZ3-CG 4.36Å; W281-T439 PolarHBondContact NE1-OG1 2.79Å; W281-F442 HydrophobicContact CH2-CB 4.33Å; W281-F442 HydrophobicContact CH2-CG 4.43Å; W281-F442 HydrophobicContact CZ2-CB 4.39Å; W281-L499 HydrophobicContact CH2-CD2 4.15Å; W281-L499 HydrophobicContact CZ3-CD2 3.92Å
282	E	98.4	Very high	96.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.1	-41.9	176.4	-73.9	-177.7	-153.1	0	0	112.4	Q278 M279 M284 L285 L286 Y400 T402 F403 L404 L499	Q278-E282 PolarHBondContact NE2-OE1 3.49Å; Q278-E282 WeakPolarHBondContact O-CG 3.27Å; Q278-E282 PolarHBondContact O-N 2.87Å; Q278-E282 VanDerWaalsContact O-N 3.07Å; M279-E282 PolarHBondContact O-N 3.07Å; E282-M284 VanDerWaalsContact C-N 3.28Å; E282-M284 PolarHBondContact O-N 2.8Å; E282-L285 PolarHBondContact O-N 3.45Å; E282-L286 VanDerWaalsContact O-CB 3.32Å; E282-L286 WeakPolarHBondContact O-CB 3.24Å; E282-L286 VanDerWaalsContact O-CG 3.23Å; E282-L286 WeakPolarHBondContact O-CG 3.09Å; E282-L286 PolarHBondContact O-N 3.06Å; E282-Y400 HydrophobicContact CB-CE1 4.05Å; E282-Y400 WeakPolarHBondContact OE2-CE1 3.39Å; E282-Y400 PolarHBondContact OE2-OH 3.5Å; E282-T402 WeakPolarHBondContact OE1-CB 3.45Å; E282-T402 VanDerWaalsContact OE2-CA 3.22Å; E282-T402 WeakPolarHBondContact OE2-CA 3.18Å; E282-F403 PolarHBondContact OE1-N 2.86Å; E282-F403 PolarHBondContact OE2-N 2.79Å; E282-L404 PolarHBondContact OE1-N 3.12Å; E282-L499 HydrophobicContact CG-CD1 4.2Å
283	L	98.5	Very high	96.6	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-60	-40.9	176.2	-67.3	-179.8	0	0	0	111.5	M279 L280 G287 E288 H362 Y400	M279-L283 HydrophobicContact CG-CD1 4.37Å; M279-L283 VanDerWaalsContact O-CG 3.32Å; M279-L283 WeakPolarHBondContact O-CG 3.21Å; M279-L283 PolarHBondContact O-N 2.91Å; L280-L283 PolarHBondContact O-N 2.89Å; L283-G287 PolarHBondContact O-N 3.45Å; L283-G287 VanDerWaalsContact O-N 3.09Å; L283-E288 HydrophobicContact CB-CB 4.4Å; L283-E288 HydrophobicContact CD2-CB 3.85Å; L283-E288 HydrophobicContact CD2-CG 3.91Å; L283-E288 PolarHBondContact O-N 3.21Å; L283-H362 HydrophobicContact CD1-CB 4.28Å; L283-H362 WeakPolarHBondContact CD2-NE2 3.46Å; L283-Y400 HydrophobicContact CD2-CD1 4.03Å; L283-Y400 HydrophobicContact CD2-CD2 3.78Å; L283-Y400 HydrophobicContact CD2-CE1 4.34Å; L283-Y400 HydrophobicContact CD2-CE2 4.13Å; L283-Y400 HydrophobicContact CD2-CG 3.74Å
284	M	98.6	Very high	96.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-69.1	-43.1	176.3	-65.5	-59.3	94.2	0	0	111.9	L280 W281 E282 L286 G287 L290 L307 I311 F316 V345 N508	L280-M284 VanDerWaalsContact O-CG 3.28Å; L280-M284 WeakPolarHBondContact O-CG 3.38Å; L280-M284 PolarHBondContact O-N 3.07Å; W281-M284 PolarHBondContact O-N 3.45Å; E282-M284 VanDerWaalsContact C-N 3.28Å; E282-M284 PolarHBondContact O-N 2.8Å; M284-L286 VanDerWaalsContact C-N 3.3Å; M284-L286 PolarHBondContact O-N 3.06Å; M284-G287 PolarHBondContact O-N 2.68Å; M284-L290 HydrophobicContact CE-CB 4.26Å; M284-L290 HydrophobicContact CE-CD2 3.52Å; M284-L307 HydrophobicContact CG-CB 4.17Å; M284-L307 HydrophobicContact CG-CD2 4.38Å; M284-L307 WeakPolarHBondContact CG-O 3.35Å; M284-L307 HydrophobicContact SD-CB 3.78Å; M284-I311 HydrophobicContact CB-CG2 3.73Å; M284-F316 WeakPolarHBondContact O-CE2 3.47Å; M284-F316 HydrophobicContact SD-CE2 4.24Å; M284-V345 HydrophobicContact CE-CG2 3.7Å; M284-V345 HydrophobicContact SD-CG2 3.96Å; M284-N508 PolarHBondContact O-ND2 3.14Å
285	L	98.4	Very high	96.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.4	-42.1	178.5	-176.7	71.5	0	0	0	111.5	W281 E282 G287 I311 L314 F442 L499 F503 N508	W281-L285 HydrophobicContact CH2-CD2 3.53Å; W281-L285 HydrophobicContact CZ2-CD1 4.43Å; W281-L285 HydrophobicContact CZ2-CD2 3.92Å; W281-L285 HydrophobicContact CZ3-CD2 3.89Å; W281-L285 WeakPolarHBondContact O-CB 3.21Å; W281-L285 PolarHBondContact O-N 3.46Å; E282-L285 PolarHBondContact O-N 3.45Å; L285-G287 VanDerWaalsContact C-N 3.32Å; L285-I311 HydrophobicContact CB-CG2 4.2Å; L285-L314 HydrophobicContact CD1-CD2 3.65Å; L285-F442 HydrophobicContact CD1-CD1 3.93Å; L285-F442 HydrophobicContact CD1-CE1 3.82Å; L285-F442 HydrophobicContact CD2-CD1 4.13Å; L285-F442 HydrophobicContact CD2-CD2 4.23Å; L285-F442 HydrophobicContact CD2-CE1 3.91Å; L285-F442 HydrophobicContact CD2-CE2 4Å; L285-F442 HydrophobicContact CD2-CG 4.29Å; L285-F442 HydrophobicContact CD2-CZ 3.84Å; L285-F442 HydrophobicContact CG-CE1 4.25Å; L285-F442 HydrophobicContact CG-CZ 4.49Å; L285-L499 HydrophobicContact CD2-CD1 4.19Å; L285-L499 HydrophobicContact CD2-CD2 4Å; L285-L499 HydrophobicContact CD2-CG 4.19Å; L285-F503 HydrophobicContact CD1-CD2 4.29Å; L285-F503 HydrophobicContact CD1-CE2 4.09Å; L285-F503 HydrophobicContact CG-CD2 4.06Å; L285-F503 HydrophobicContact CG-CE2 4.34Å; L285-F503 WeakPolarHBondContact O-CD2 3.38Å; L285-N508 PolarHBondContact O-ND2 2.94Å
286	L	98.4	Very high	96.5	Very high	5 Å²	5	10.2 Å²	10.2	3%	0.026	6%	0.058	C	C	.	.	H	α-helix	trans	-83.5	-7.3	-178.8	-63.1	179.6	0	0	0	113.7	E282 M284 E288 Y400 F403 L499 R502 F503 S506	E282-L286 VanDerWaalsContact O-CB 3.32Å; E282-L286 WeakPolarHBondContact O-CB 3.24Å; E282-L286 VanDerWaalsContact O-CG 3.23Å; E282-L286 WeakPolarHBondContact O-CG 3.09Å; E282-L286 PolarHBondContact O-N 3.06Å; M284-L286 VanDerWaalsContact C-N 3.3Å; M284-L286 PolarHBondContact O-N 3.06Å; L286-E288 VanDerWaalsContact C-N 3.31Å; L286-E288 HydrophobicContact CB-CG 3.96Å; L286-E288 PolarHBondContact O-N 3.04Å; L286-Y400 HydrophobicContact CD1-CE2 4.11Å; L286-Y400 VanDerWaalsContact CD1-OH 3.25Å; L286-Y400 WeakPolarHBondContact CD1-OH 3.35Å; L286-F403 HydrophobicContact CD1-CE2 4.33Å; L286-L499 HydrophobicContact CD1-CD1 4.23Å; L286-L499 HydrophobicContact CD2-CD1 4.06Å; L286-L499 HydrophobicContact CG-CD1 4.25Å; L286-R502 HydrophobicContact CD1-CB 4.36Å; L286-R502 HydrophobicContact CD1-CG 3.59Å; L286-R502 HydrophobicContact CD2-CB 3.9Å; L286-R502 HydrophobicContact CD2-CG 3.67Å; L286-R502 HydrophobicContact CG-CG 4.15Å; L286-F503 HydrophobicContact CD2-CB 4Å; L286-S506 WeakPolarHBondContact O-CB 3.23Å
287	G	97.7	Very high	96.5	Very high	1 Å²	1	9 Å²	9	1%	0.01	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	31.7	-179	0	0	0	0	0	113.3	L283 M284 L285 C318 N343	L283-G287 PolarHBondContact O-N 3.45Å; L283-G287 VanDerWaalsContact O-N 3.09Å; M284-G287 PolarHBondContact O-N 2.68Å; L285-G287 VanDerWaalsContact C-N 3.32Å; G287-C318 WeakPolarHBondContact CA-SG 3.36Å; G287-N343 WeakPolarHBondContact O-CB 3.38Å; G287-N343 PolarHBondContact O-ND2 3.16Å
288	E	97.4	Very high	96.4	Very high	23 Å²	23	9.8 Å²	9.8	11%	0.107	6%	0.057	C	C	.	.			trans	-70.3	141.2	-177.2	-66.8	-72.3	165	0	0	111.2	L283 L286 L290 H362 R502	L283-E288 HydrophobicContact CB-CB 4.4Å; L283-E288 HydrophobicContact CD2-CB 3.85Å; L283-E288 HydrophobicContact CD2-CG 3.91Å; L283-E288 PolarHBondContact O-N 3.21Å; L286-E288 VanDerWaalsContact C-N 3.31Å; L286-E288 HydrophobicContact CB-CG 3.96Å; L286-E288 PolarHBondContact O-N 3.04Å; E288-L290 PolarHBondContact O-N 3.01Å; E288-H362 IonicContact OE2-NE2 3.41Å; E288-R502 IonicContact OE1-CZ 3.17Å; E288-R502 IonicContact OE1-NE 3.75Å; E288-R502 PolarHBondContact OE1-NE 2.93Å; E288-R502 IonicContact OE1-NH2 2.79Å; E288-R502 PolarHBondContact OE1-NH2 3.47Å; E288-R502 IonicContact OE2-NH2 2.71Å
289	P	96.8	Very high	96.3	Very high	9 Å²	9	10.2 Å²	10.2	6%	0.058	6%	0.061	C	C	.	.			trans	-60.2	125.3	177.6	-20.6	30.8	0	0	0	112	P341 P342 V344 W360 P361 H362	P289-P341 HydrophobicContact CB-CB 3.97Å; P289-P341 HydrophobicContact CG-CB 4.17Å; P289-P342 WeakPolarHBondContact CB-O 3.35Å; P289-P342 WeakPolarHBondContact CG-O 3.49Å; P289-V344 WeakPolarHBondContact CA-O 3.43Å; P289-W360 HydrophobicContact CB-CE3 3.91Å; P289-W360 HydrophobicContact CB-CZ3 3.82Å; P289-P361 HydrophobicContact CB-CG 3.97Å; P289-P361 HydrophobicContact CG-CG 4.25Å; P289-H362 PolarHBondContact O-CD2 3.48Å; P289-H362 VanDerWaalsContact O-CD2 3.23Å
290	L	97.5	Very high	96.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.3	-173.9	174.1	65.5	0	0	0	111.8	M284 E288 V292 L307 V344 V345 L346 H362 V364	M284-L290 HydrophobicContact CE-CB 4.26Å; M284-L290 HydrophobicContact CE-CD2 3.52Å; E288-L290 PolarHBondContact O-N 3.01Å; L290-V292 HydrophobicContact CD2-CG2 4.39Å; L290-V292 HydrophobicContact CG-CG2 4.39Å; L290-L307 HydrophobicContact CD2-CD1 3.86Å; L290-V344 PolarHBondContact N-O 2.98Å; L290-V345 HydrophobicContact CB-CG1 4.25Å; L290-V345 HydrophobicContact CB-CG2 4.46Å; L290-V345 HydrophobicContact CD2-CG1 4.21Å; L290-V345 HydrophobicContact CG-CG1 4.34Å; L290-V345 CarbonylContact O-C 3.58Å; L290-V345 VanDerWaalsContact O-CA 3.3Å; L290-V345 WeakPolarHBondContact O-CA 3.46Å; L290-L346 PolarHBondContact O-N 3.36Å; L290-H362 HydrophobicContact CB-CB 4.47Å; L290-H362 HydrophobicContact CD1-CB 3.62Å; L290-V364 HydrophobicContact CD1-CG2 3.83Å
291	V	97.3	Very high	96.2	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.3	170.1	-175.8	0	0	0	0	110.3	M293 L346 V348 F357 W360 H362 I363 V364	V291-M293 HydrophobicContact CG1-CE 4.11Å; V291-M293 HydrophobicContact CG1-CG 4.2Å; V291-L346 CarbonylContact C-O 3.59Å; V291-L346 WeakPolarHBondContact CA-O 3.46Å; V291-L346 HydrophobicContact CG2-CB 4.47Å; V291-V348 HydrophobicContact CG1-CG2 3.92Å; V291-F357 HydrophobicContact CB-CD2 4.49Å; V291-F357 HydrophobicContact CG1-CD2 3.82Å; V291-F357 HydrophobicContact CG1-CE2 4.38Å; V291-F357 HydrophobicContact CG2-CB 4.03Å; V291-F357 HydrophobicContact CG2-CD2 3.9Å; V291-F357 HydrophobicContact CG2-CE2 4.44Å; V291-F357 HydrophobicContact CG2-CG 3.93Å; V291-W360 HydrophobicContact CG2-CB 4.43Å; V291-W360 HydrophobicContact CG2-CD2 3.67Å; V291-W360 HydrophobicContact CG2-CE3 3.37Å; V291-W360 HydrophobicContact CG2-CG 4.16Å; V291-W360 HydrophobicContact CG2-CH2 4.46Å; V291-W360 HydrophobicContact CG2-CZ3 3.8Å; V291-H362 PolarHBondContact N-O 2.99Å; V291-I363 CarbonylContact O-C 3.58Å; V291-I363 WeakPolarHBondContact O-CA 3.28Å; V291-V364 PolarHBondContact O-N 2.74Å
292	V	96.9	Very high	96.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.9	169.4	-177.2	0	0	0	0	109	L290 T303 I304 L307 L346 G347 V348 V364 L366	L290-V292 HydrophobicContact CD2-CG2 4.39Å; L290-V292 HydrophobicContact CG-CG2 4.39Å; V292-T303 HydrophobicContact CG1-CG2 4.22Å; V292-I304 HydrophobicContact CB-CD1 3.58Å; V292-I304 HydrophobicContact CG1-CD1 4.45Å; V292-I304 HydrophobicContact CG2-CD1 3.4Å; V292-L307 HydrophobicContact CG2-CD1 3.73Å; V292-L346 PolarHBondContact N-O 3.18Å; V292-G347 WeakPolarHBondContact O-CA 3.43Å; V292-V348 PolarHBondContact O-N 3.41Å; V292-V364 CarbonylContact C-O 3.56Å; V292-V364 VanDerWaalsContact CA-O 3.31Å; V292-V364 WeakPolarHBondContact CA-O 3.41Å; V292-V364 HydrophobicContact CG2-CB 4.27Å; V292-L366 HydrophobicContact CG1-CD1 3.71Å; V292-L366 HydrophobicContact CG1-CG 4.05Å
293	M	94.5	Very high	96	Very high	19 Å²	19	11.4 Å²	11.4	9%	0.094	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.5	172.2	-57.8	174.3	177.3	0	0	108.2	V291 V348 F353 I354 F357 I363 V364 R365 L366	V291-M293 HydrophobicContact CG1-CE 4.11Å; V291-M293 HydrophobicContact CG1-CG 4.2Å; M293-V348 WeakPolarHBondContact CA-O 3.27Å; M293-V348 HydrophobicContact CB-CG2 4.32Å; M293-V348 HydrophobicContact CG-CG2 3.71Å; M293-F353 WeakPolarHBondContact CE-O 3.37Å; M293-I354 HydrophobicContact CE-CG1 4.34Å; M293-I354 HydrophobicContact SD-CG1 3.79Å; M293-F357 HydrophobicContact CE-CB 4.5Å; M293-I363 HydrophobicContact CE-CG2 3.91Å; M293-I363 HydrophobicContact CG-CG2 4.42Å; M293-I363 HydrophobicContact SD-CG2 3.97Å; M293-V364 PolarHBondContact N-O 3.25Å; M293-R365 HydrophobicContact CB-CG 4.13Å; M293-R365 HydrophobicContact CG-CG 4.45Å; M293-R365 WeakPolarHBondContact O-CA 3.34Å; M293-R365 HydrophobicContact SD-CG 4Å; M293-R365 PolarHBondContact SD-NE 2.73Å; M293-L366 PolarHBondContact O-N 3.08Å
294	A	92.9	Very high	96	Very high	8 Å²	8	11.3 Å²	11.3	7%	0.066	7%	0.066	C	C	.	.			trans	-119.2	157.8	-173.5	0	0	0	0	0	112	V299 C300 V348 L366	A294-V299 HydrophobicContact CB-CB 4.4Å; A294-V299 HydrophobicContact CB-CG1 4.21Å; A294-C300 HydrophobicContact CB-CB 3.67Å; A294-V348 PolarHBondContact N-O 3.46Å; A294-L366 HydrophobicContact CB-CD1 4.22Å
295	P	90.3	Very high	96	Very high	38 Å²	38	12.1 Å²	12.1	25%	0.247	7%	0.071	C	C	.	.	S	Bend	trans	-75.6	-20.4	-178.8	30	-36.3	0	0	0	114	V299 E368	P295-V299 HydrophobicContact CG-CB 4.46Å; P295-V299 HydrophobicContact CG-CG1 4.45Å; P295-V299 HydrophobicContact CG-CG2 4.47Å; P295-E368 HydrophobicContact CB-CG 4.24Å
296	S	92	Very high	96	Very high	29 Å²	29	12.1 Å²	12.1	20%	0.203	7%	0.071	C	C	.	.	S	Bend	trans	-148.4	157.6	179.2	72.2	0	0	0	0	112.1	T298 V299 C300	S296-T298 PolarHBondContact O-N 2.66Å; S296-V299 PolarHBondContact O-N 3.16Å; S296-V299 WeakPolarHBondContact OG-CG2 3.19Å; S296-V299 PolarHBondContact OG-N 2.8Å; S296-C300 WeakPolarHBondContact O-CB 3.27Å; S296-C300 PolarHBondContact O-N 3.21Å
297	P	94.5	Very high	96	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.2	-33.4	178	-26.6	35.9	0	0	0	113.4	P100 F112 C300 S301 Y323 T349	P100-P297 HydrophobicContact CB-CG 3.88Å; P100-P297 HydrophobicContact CG-CG 4.12Å; F112-P297 HydrophobicContact CB-CB 3.81Å; F112-P297 WeakPolarHBondContact CB-O 3.29Å; F112-P297 HydrophobicContact CD1-CB 3.78Å; F112-P297 HydrophobicContact CD2-CB 3.92Å; F112-P297 HydrophobicContact CE1-CB 4.28Å; F112-P297 HydrophobicContact CE2-CB 4.38Å; F112-P297 HydrophobicContact CG-CB 3.57Å; P297-C300 WeakPolarHBondContact O-CB 3.48Å; P297-S301 WeakPolarHBondContact O-CB 3.38Å; P297-S301 PolarHBondContact O-N 2.96Å; P297-S301 PolarHBondContact O-OG 3.32Å; P297-Y323 HydrophobicContact CB-CD2 4.07Å; P297-Y323 HydrophobicContact CB-CE2 3.81Å; P297-Y323 HydrophobicContact CG-CE2 3.91Å; P297-T349 HydrophobicContact CG-CG2 4.35Å
298	T	94.4	Very high	95.9	Very high	29 Å²	29	13 Å²	13	18%	0.178	8%	0.076	C	C	.	.	H	α-helix	trans	-60.3	-58.2	174.1	-50.3	0	0	0	0	110.7	T110 Q111 S296 C300 S301 E302	T110-T298 VanDerWaalsContact CG2-OG1 3.31Å; T110-T298 WeakPolarHBondContact CG2-OG1 3.32Å; Q111-T298 WeakPolarHBondContact O-CA 3.5Å; Q111-T298 VanDerWaalsContact O-CB 3.25Å; Q111-T298 WeakPolarHBondContact O-CB 3.31Å; Q111-T298 WeakPolarHBondContact O-CG2 3.24Å; Q111-T298 PolarHBondContact O-OG1 3.3Å; S296-T298 PolarHBondContact O-N 2.66Å; T298-C300 PolarHBondContact O-N 3.15Å; T298-S301 PolarHBondContact O-N 3.08Å; T298-S301 PolarHBondContact O-OG 2.8Å; T298-E302 HydrophobicContact CG2-CG 4.45Å; T298-E302 WeakPolarHBondContact O-CB 3.43Å; T298-E302 VanDerWaalsContact O-CG 3.3Å; T298-E302 WeakPolarHBondContact O-CG 2.98Å; T298-E302 PolarHBondContact O-N 2.85Å
299	V	93.9	Very high	95.9	Very high	22 Å²	22	14.4 Å²	14.4	13%	0.133	9%	0.088	C	C	.	.	H	α-helix	trans	-62	-37.4	-178.5	176.7	0	0	0	0	110.6	A294 P295 S296 T303 L366 I369	A294-V299 HydrophobicContact CB-CB 4.4Å; A294-V299 HydrophobicContact CB-CG1 4.21Å; P295-V299 HydrophobicContact CG-CB 4.46Å; P295-V299 HydrophobicContact CG-CG1 4.45Å; P295-V299 HydrophobicContact CG-CG2 4.47Å; S296-V299 PolarHBondContact O-N 3.16Å; S296-V299 WeakPolarHBondContact OG-CG2 3.19Å; S296-V299 PolarHBondContact OG-N 2.8Å; V299-T303 WeakPolarHBondContact O-CB 3.24Å; V299-T303 PolarHBondContact O-N 2.79Å; V299-T303 PolarHBondContact O-OG1 3.03Å; V299-L366 HydrophobicContact CG1-CD1 3.9Å; V299-I369 HydrophobicContact CG2-CD1 4.25Å
300	C	95.3	Very high	95.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.4	-64.3	176.2	-171.2	0	0	0	0	111.8	A294 S296 P297 T298 E302 T303 I304 P322 Y323 G347 V348 T349	A294-C300 HydrophobicContact CB-CB 3.67Å; S296-C300 WeakPolarHBondContact O-CB 3.27Å; S296-C300 PolarHBondContact O-N 3.21Å; P297-C300 WeakPolarHBondContact O-CB 3.48Å; T298-C300 PolarHBondContact O-N 3.15Å; C300-E302 PolarHBondContact O-N 2.93Å; C300-T303 PolarHBondContact O-N 3.33Å; C300-I304 WeakPolarHBondContact O-CG1 3.3Å; C300-I304 PolarHBondContact O-N 3Å; C300-P322 CarbonylContact C-O 3.56Å; C300-P322 PolarHBondContact SG-O 2.98Å; C300-Y323 HydrophobicContact CB-CD2 4.4Å; C300-G347 WeakPolarHBondContact SG-CA 3.38Å; C300-V348 PolarHBondContact SG-N 3.03Å; C300-T349 HydrophobicContact CB-CG2 4.06Å
301	S	97.3	Very high	95.9	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-65.1	-41.5	-174.4	59.3	0	0	0	0	112.7	F112 T113 P297 T298 T303 I304 L305 P322	F112-S301 WeakPolarHBondContact CA-OG 3.09Å; F112-S301 WeakPolarHBondContact CB-OG 3.21Å; T113-S301 PolarHBondContact N-OG 2.55Å; T113-S301 WeakPolarHBondContact O-CB 3.32Å; P297-S301 WeakPolarHBondContact O-CB 3.38Å; P297-S301 PolarHBondContact O-N 2.96Å; P297-S301 PolarHBondContact O-OG 3.32Å; T298-S301 PolarHBondContact O-N 3.08Å; T298-S301 PolarHBondContact O-OG 2.8Å; S301-T303 VanDerWaalsContact C-N 3.34Å; S301-T303 PolarHBondContact O-N 3.14Å; S301-I304 PolarHBondContact O-N 3.11Å; S301-L305 WeakPolarHBondContact O-CB 3.47Å; S301-L305 VanDerWaalsContact O-CG 3.27Å; S301-L305 WeakPolarHBondContact O-CG 3.36Å; S301-L305 PolarHBondContact O-N 3.35Å; S301-P322 WeakPolarHBondContact CA-O 3.43Å; S301-P322 PolarHBondContact N-O 3.29Å
302	E	96.9	Very high	95.7	Very high	47 Å²	47	16.3 Å²	16.3	22%	0.22	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-43.3	174.4	-70.9	-178	170.9	0	0	111.4	L264 K268 T298 C300 L305 A306	L264-E302 HydrophobicContact CD2-CG 4.35Å; K268-E302 IonicContact NZ-OE1 3.6Å; K268-E302 PolarHBondContact NZ-OE1 3.1Å; K268-E302 IonicContact NZ-OE2 2.65Å; K268-E302 PolarHBondContact NZ-OE2 3Å; T298-E302 HydrophobicContact CG2-CG 4.45Å; T298-E302 WeakPolarHBondContact O-CB 3.43Å; T298-E302 VanDerWaalsContact O-CG 3.3Å; T298-E302 WeakPolarHBondContact O-CG 2.98Å; T298-E302 PolarHBondContact O-N 2.85Å; C300-E302 PolarHBondContact O-N 2.93Å; E302-L305 PolarHBondContact O-N 3.44Å; E302-A306 WeakPolarHBondContact O-CB 3.42Å; E302-A306 PolarHBondContact O-N 2.91Å
303	T	97.5	Very high	95.6	Very high	6 Å²	6	19.1 Å²	19.1	4%	0.037	12%	0.12	C	C	.	.	H	α-helix	trans	-67.7	-42.1	-178.8	-58.1	0	0	0	0	112.1	V292 V299 C300 S301 A306 L307 L366	V292-T303 HydrophobicContact CG1-CG2 4.22Å; V299-T303 WeakPolarHBondContact O-CB 3.24Å; V299-T303 PolarHBondContact O-N 2.79Å; V299-T303 PolarHBondContact O-OG1 3.03Å; C300-T303 PolarHBondContact O-N 3.33Å; S301-T303 VanDerWaalsContact C-N 3.34Å; S301-T303 PolarHBondContact O-N 3.14Å; T303-A306 PolarHBondContact O-N 2.91Å; T303-L307 HydrophobicContact CG2-CD1 4.12Å; T303-L307 HydrophobicContact CG2-CG 4.34Å; T303-L307 WeakPolarHBondContact O-CB 3.3Å; T303-L307 VanDerWaalsContact O-CG 3.29Å; T303-L307 WeakPolarHBondContact O-CG 3.39Å; T303-L307 PolarHBondContact O-N 3.09Å; T303-L366 HydrophobicContact CG2-CD1 4.02Å
304	I	98.4	Very high	95.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62	-47.5	176.7	-63.6	-45.3	0	0	0	110.8	V292 C300 S301 A306 L307 V308 F320 P322 V345	V292-I304 HydrophobicContact CB-CD1 3.58Å; V292-I304 HydrophobicContact CG1-CD1 4.45Å; V292-I304 HydrophobicContact CG2-CD1 3.4Å; C300-I304 WeakPolarHBondContact O-CG1 3.3Å; C300-I304 PolarHBondContact O-N 3Å; S301-I304 PolarHBondContact O-N 3.11Å; I304-A306 VanDerWaalsContact C-N 3.31Å; I304-A306 PolarHBondContact O-N 3.31Å; I304-L307 HydrophobicContact CD1-CD1 4.38Å; I304-L307 WeakPolarHBondContact O-CB 3.28Å; I304-L307 PolarHBondContact O-N 3.07Å; I304-V308 HydrophobicContact CG2-CG2 4.43Å; I304-V308 WeakPolarHBondContact O-CG2 3.46Å; I304-V308 PolarHBondContact O-N 3.04Å; I304-F320 HydrophobicContact CG2-CB 4.29Å; I304-F320 HydrophobicContact CG2-CD2 4.14Å; I304-P322 HydrophobicContact CB-CB 4.41Å; I304-P322 HydrophobicContact CG2-CB 4.46Å; I304-P322 HydrophobicContact CG2-CG 4.48Å; I304-V345 HydrophobicContact CD1-CG1 3.75Å; I304-V345 HydrophobicContact CG2-CG1 4.26Å
305	L	97.8	Very high	95.7	Very high	18 Å²	18	21.4 Å²	21.4	9%	0.094	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-38.4	178.8	-68.3	171.8	0	0	0	111.5	T113 F146 T177 L264 S301 E302 V308 S309 F320 P322	T113-L305 HydrophobicContact CG2-CD1 4.34Å; F146-L305 HydrophobicContact CE1-CD2 4.48Å; T177-L305 HydrophobicContact CG2-CD1 3.99Å; L264-L305 HydrophobicContact CD1-CB 3.37Å; L264-L305 HydrophobicContact CD1-CD1 4.4Å; S301-L305 WeakPolarHBondContact O-CB 3.47Å; S301-L305 VanDerWaalsContact O-CG 3.27Å; S301-L305 WeakPolarHBondContact O-CG 3.36Å; S301-L305 PolarHBondContact O-N 3.35Å; E302-L305 PolarHBondContact O-N 3.44Å; L305-V308 PolarHBondContact O-N 3.07Å; L305-S309 WeakPolarHBondContact O-CB 3.47Å; L305-S309 PolarHBondContact O-N 2.78Å; L305-S309 PolarHBondContact O-OG 3.4Å; L305-F320 HydrophobicContact CD2-CE2 3.89Å; L305-P322 HydrophobicContact CD2-CB 4.43Å; L305-P322 HydrophobicContact CD2-CG 3.79Å; L305-P322 HydrophobicContact CG-CB 4.15Å; L305-P322 HydrophobicContact CG-CG 4.05Å
306	A	97.7	Very high	96	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.1	-44.9	173.4	0	0	0	0	0	112	L264 L266 C269 F270 E302 T303 I304 S309 S310	L264-A306 HydrophobicContact CD1-CB 4.45Å; L266-A306 HydrophobicContact CD2-CB 3.63Å; C269-A306 HydrophobicContact CB-CB 3.78Å; F270-A306 HydrophobicContact CE1-CB 4.37Å; F270-A306 HydrophobicContact CE2-CB 4.19Å; F270-A306 HydrophobicContact CZ-CB 3.86Å; E302-A306 WeakPolarHBondContact O-CB 3.42Å; E302-A306 PolarHBondContact O-N 2.91Å; T303-A306 PolarHBondContact O-N 2.91Å; I304-A306 VanDerWaalsContact C-N 3.31Å; I304-A306 PolarHBondContact O-N 3.31Å; A306-S309 WeakPolarHBondContact CA-OG 3.28Å; A306-S309 PolarHBondContact O-N 2.99Å; A306-S309 PolarHBondContact O-OG 3.19Å; A306-S310 PolarHBondContact O-N 3.31Å
307	L	98.3	Very high	96.2	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-59.1	-49.9	175	-77	169.5	0	0	0	111.3	F270 L280 M284 L290 V292 T303 I304 S309 S310	F270-L307 HydrophobicContact CE1-CD2 3.6Å; F270-L307 HydrophobicContact CE1-CG 3.88Å; F270-L307 HydrophobicContact CZ-CD2 4.06Å; F270-L307 HydrophobicContact CZ-CG 4.29Å; L280-L307 HydrophobicContact CB-CD2 3.94Å; L280-L307 HydrophobicContact CD1-CD2 4.23Å; L280-L307 HydrophobicContact CD2-CD2 4.26Å; L280-L307 HydrophobicContact CG-CD2 4.36Å; M284-L307 HydrophobicContact CG-CB 4.17Å; M284-L307 HydrophobicContact CG-CD2 4.38Å; M284-L307 WeakPolarHBondContact CG-O 3.35Å; M284-L307 HydrophobicContact SD-CB 3.78Å; L290-L307 HydrophobicContact CD2-CD1 3.86Å; V292-L307 HydrophobicContact CG2-CD1 3.73Å; T303-L307 HydrophobicContact CG2-CD1 4.12Å; T303-L307 HydrophobicContact CG2-CG 4.34Å; T303-L307 WeakPolarHBondContact O-CB 3.3Å; T303-L307 VanDerWaalsContact O-CG 3.29Å; T303-L307 WeakPolarHBondContact O-CG 3.39Å; T303-L307 PolarHBondContact O-N 3.09Å; I304-L307 HydrophobicContact CD1-CD1 4.38Å; I304-L307 WeakPolarHBondContact O-CB 3.28Å; I304-L307 PolarHBondContact O-N 3.07Å; L307-S309 VanDerWaalsContact C-N 3.3Å; L307-S309 PolarHBondContact O-N 3.15Å; L307-S310 VanDerWaalsContact O-CB 3.28Å; L307-S310 WeakPolarHBondContact O-CB 3.34Å; L307-S310 PolarHBondContact O-N 3.3Å; L307-S310 PolarHBondContact O-OG 2.82Å
308	V	97.3	Very high	96.2	Very high	22 Å²	22	22 Å²	22	13%	0.133	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-42	178.7	169.7	0	0	0	0	110.8	I304 L305 S310 F316 F320	I304-V308 HydrophobicContact CG2-CG2 4.43Å; I304-V308 WeakPolarHBondContact O-CG2 3.46Å; I304-V308 PolarHBondContact O-N 3.04Å; L305-V308 PolarHBondContact O-N 3.07Å; V308-S310 PolarHBondContact O-N 3.23Å; V308-F316 HydrophobicContact CG1-CB 3.65Å; V308-F316 HydrophobicContact CG1-CD1 3.91Å; V308-F316 HydrophobicContact CG1-CG 3.91Å; V308-F316 HydrophobicContact CG2-CD1 3.97Å; V308-F316 HydrophobicContact CG2-CE1 4.09Å; V308-F316 HydrophobicContact CG2-CG 4.4Å; V308-F320 HydrophobicContact CG1-CD1 4.48Å; V308-F320 HydrophobicContact CG1-CE1 4.37Å; V308-F320 HydrophobicContact CG2-CB 4.04Å; V308-F320 HydrophobicContact CG2-CD1 4.21Å; V308-F320 HydrophobicContact CG2-CD2 4.12Å; V308-F320 HydrophobicContact CG2-CG 3.85Å
309	S	95.8	Very high	96.3	Very high	51 Å²	51	21.9 Å²	21.9	36%	0.357	13%	0.128	S	C	.	.	H	α-helix	trans	-71.5	-13.9	177.1	76.7	0	0	0	0	114.6	L305 A306 L307 I311 S312	L305-S309 WeakPolarHBondContact O-CB 3.47Å; L305-S309 PolarHBondContact O-N 2.78Å; L305-S309 PolarHBondContact O-OG 3.4Å; A306-S309 WeakPolarHBondContact CA-OG 3.28Å; A306-S309 PolarHBondContact O-N 2.99Å; A306-S309 PolarHBondContact O-OG 3.19Å; L307-S309 VanDerWaalsContact C-N 3.3Å; L307-S309 PolarHBondContact O-N 3.15Å; S309-I311 PolarHBondContact O-N 2.71Å; S309-I311 VanDerWaalsContact O-N 3.17Å; S309-S312 VanDerWaalsContact O-CB 3.26Å; S309-S312 WeakPolarHBondContact O-CB 3.4Å; S309-S312 PolarHBondContact O-N 2.64Å
310	S	96.9	Very high	96.4	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.028	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.8	-173.3	71.9	0	0	0	0	113.9	A306 L307 V308	A306-S310 PolarHBondContact O-N 3.31Å; L307-S310 VanDerWaalsContact O-CB 3.28Å; L307-S310 WeakPolarHBondContact O-CB 3.34Å; L307-S310 PolarHBondContact O-N 3.3Å; L307-S310 PolarHBondContact O-OG 2.82Å; V308-S310 PolarHBondContact O-N 3.23Å
311	I	97.4	Very high	96.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	13.7	175.7	63.6	164.6	0	0	0	112.6	M284 L285 S309 L314 F316 T439	M284-I311 HydrophobicContact CB-CG2 3.73Å; L285-I311 HydrophobicContact CB-CG2 4.2Å; S309-I311 PolarHBondContact O-N 2.71Å; S309-I311 VanDerWaalsContact O-N 3.17Å; I311-L314 HydrophobicContact CB-CB 4.47Å; I311-L314 HydrophobicContact CD1-CB 4.29Å; I311-L314 HydrophobicContact CD1-CD2 4.25Å; I311-L314 HydrophobicContact CD1-CG 4.48Å; I311-L314 HydrophobicContact CG1-CB 4.43Å; I311-L314 WeakPolarHBondContact O-CA 3.46Å; I311-L314 WeakPolarHBondContact O-CB 3.37Å; I311-L314 PolarHBondContact O-N 3.42Å; I311-F316 HydrophobicContact CD1-CB 4.09Å; I311-F316 HydrophobicContact CD1-CD2 3.77Å; I311-F316 HydrophobicContact CD1-CG 4.44Å; I311-T439 WeakPolarHBondContact O-CG2 3.33Å
312	S	94.4	Very high	96.5	Very high	45 Å²	45	21.4 Å²	21.4	32%	0.315	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	136.1	173.3	-174.7	0	0	0	0	110.5	S309 T439	S309-S312 VanDerWaalsContact O-CB 3.26Å; S309-S312 WeakPolarHBondContact O-CB 3.4Å; S309-S312 PolarHBondContact O-N 2.64Å; S312-T439 WeakPolarHBondContact O-CB 3.23Å
313	P	93.2	Very high	96.5	Very high	59 Å²	59	19.2 Å²	19.2	38%	0.383	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91	7.1	15.3	37.7	-36.7	0	0	0	114.8	K315 Q440 I443	P313-K315 PolarHBondContact O-N 2.87Å; P313-Q440 HydrophobicContact CG-CG 4.28Å; P313-I443 HydrophobicContact CG-CD1 4.44Å
314	L	95	Very high	96.5	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	11%	0.112	C	C	.	.	S	Bend	trans	-65.9	131.1	172.5	-160.3	59.5	0	0	0	109.3	L285 I311 F316 T439 I443 F503 N508 W512	L285-L314 HydrophobicContact CD1-CD2 3.65Å; I311-L314 HydrophobicContact CB-CB 4.47Å; I311-L314 HydrophobicContact CD1-CB 4.29Å; I311-L314 HydrophobicContact CD1-CD2 4.25Å; I311-L314 HydrophobicContact CD1-CG 4.48Å; I311-L314 HydrophobicContact CG1-CB 4.43Å; I311-L314 WeakPolarHBondContact O-CA 3.46Å; I311-L314 WeakPolarHBondContact O-CB 3.37Å; I311-L314 PolarHBondContact O-N 3.42Å; L314-F316 PolarHBondContact O-N 2.81Å; L314-T439 HydrophobicContact CB-CG2 4.15Å; L314-I443 HydrophobicContact CB-CD1 3.87Å; L314-I443 HydrophobicContact CD1-CD1 3.92Å; L314-I443 HydrophobicContact CD1-CG1 4.45Å; L314-I443 HydrophobicContact CG-CD1 4.37Å; L314-F503 HydrophobicContact CD2-CE2 3.91Å; L314-F503 HydrophobicContact CD2-CZ 3.94Å; L314-N508 HydrophobicContact CD2-CB 4.49Å; L314-W512 HydrophobicContact CD1-CB 3.96Å; L314-W512 HydrophobicContact CD1-CG 3.93Å
315	K	94.8	Very high	96.3	Very high	72 Å²	72	19 Å²	19	31%	0.313	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-72.2	125.1	170.5	-172.6	175.9	-171.8	162.6	0	109.2	A136 P313 C317	A136-K315 HydrophobicContact CB-CB 4.32Å; A136-K315 WeakPolarHBondContact O-CD 3.25Å; A136-K315 WeakPolarHBondContact O-CE 3.44Å; P313-K315 PolarHBondContact O-N 2.87Å; K315-C317 PolarHBondContact O-N 2.79Å; K315-C317 PolarHBondContact O-SG 3.47Å
316	F	96.9	Very high	96	Very high	17 Å²	17	21.2 Å²	21.2	8%	0.075	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-70.4	119.7	168.7	-170.2	-104.4	0	0	0	109.2	M284 V308 I311 L314 C318 F320 V345	M284-F316 WeakPolarHBondContact O-CE2 3.47Å; M284-F316 HydrophobicContact SD-CE2 4.24Å; V308-F316 HydrophobicContact CG1-CB 3.65Å; V308-F316 HydrophobicContact CG1-CD1 3.91Å; V308-F316 HydrophobicContact CG1-CG 3.91Å; V308-F316 HydrophobicContact CG2-CD1 3.97Å; V308-F316 HydrophobicContact CG2-CE1 4.09Å; V308-F316 HydrophobicContact CG2-CG 4.4Å; I311-F316 HydrophobicContact CD1-CB 4.09Å; I311-F316 HydrophobicContact CD1-CD2 3.77Å; I311-F316 HydrophobicContact CD1-CG 4.44Å; L314-F316 PolarHBondContact O-N 2.81Å; F316-C318 HydrophobicContact CD1-CB 4.33Å; F316-C318 WeakPolarHBondContact CD1-O 3.34Å; F316-C318 HydrophobicContact CE1-CB 3.59Å; F316-C318 WeakPolarHBondContact CE1-O 3.36Å; F316-C318 HydrophobicContact CE2-CB 4.21Å; F316-C318 HydrophobicContact CZ-CB 3.52Å; F316-F320 AromaticContact CD1-CD1 4Å; F316-F320 HydrophobicContact CD1-CD1 4Å; F316-F320 HydrophobicContact CE1-CB 4.25Å; F316-F320 HydrophobicContact CE1-CD1 4.2Å; F316-V345 HydrophobicContact CE1-CG2 4.23Å; F316-V345 HydrophobicContact CZ-CG2 3.65Å
317	C	95.6	Very high	95.6	Very high	50 Å²	50	25.6 Å²	25.6	34%	0.338	14%	0.144	S	C	.	.			trans	-108.7	-1.6	-172.2	-61.3	0	0	0	0	113.2	K315 N508	K315-C317 PolarHBondContact O-N 2.79Å; K315-C317 PolarHBondContact O-SG 3.47Å; C317-N508 PolarHBondContact N-OD1 3.1Å
318	C	95.8	Very high	95.3	Very high	11 Å²	11	25.9 Å²	25.9	7%	0.074	15%	0.145	C	C	.	.	S	Bend	trans	-82.3	165.9	171.5	-52.9	0	0	0	0	110.3	G287 F316 N343	G287-C318 WeakPolarHBondContact CA-SG 3.36Å; F316-C318 HydrophobicContact CD1-CB 4.33Å; F316-C318 WeakPolarHBondContact CD1-O 3.34Å; F316-C318 HydrophobicContact CE1-CB 3.59Å; F316-C318 WeakPolarHBondContact CE1-O 3.36Å; F316-C318 HydrophobicContact CE2-CB 4.21Å; F316-C318 HydrophobicContact CZ-CB 3.52Å; C318-N343 HydrophobicContact CB-CB 4.26Å; C318-N343 WeakPolarHBondContact CB-O 3.2Å
319	D	95.6	Very high	94.8	Very high	27 Å²	27	27.1 Å²	27.1	14%	0.144	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	156.4	174.2	-163.8	29.6	0	0	0	110.9	R115 H144 R321 Y334 N343 V344 V345	R115-D319 IonicContact CZ-OD1 3.5Å; R115-D319 IonicContact NH1-OD1 2.83Å; R115-D319 PolarHBondContact NH1-OD1 3.37Å; H144-D319 IonicContact NE2-OD1 3.28Å; D319-R321 IonicContact OD2-NE 2.76Å; D319-R321 IonicContact OD2-NH2 2.76Å; D319-Y334 PolarHBondContact OD2-OH 3.17Å; D319-N343 PolarHBondContact N-O 2.87Å; D319-V344 HydrophobicContact CB-CB 4.31Å; D319-V344 HydrophobicContact CB-CG2 3.9Å; D319-V344 VanDerWaalsContact O-CA 3.24Å; D319-V344 WeakPolarHBondContact O-CA 3.5Å; D319-V344 WeakPolarHBondContact O-CG2 3.33Å; D319-V345 PolarHBondContact O-N 2.91Å; D319-V345 VanDerWaalsContact O-N 3.09Å
320	F	97.4	Very high	94.6	Very high	13 Å²	13	25.2 Å²	25.2	6%	0.057	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	147.3	171.9	65.6	-82.1	0	0	0	111.1	R115 F146 I304 L305 V308 F316 P322 V345	R115-F320 PolarHBondContact NH1-O 3.41Å; F146-F320 HydrophobicContact CE1-CE2 4.15Å; F146-F320 HydrophobicContact CE1-CZ 4.15Å; F146-F320 HydrophobicContact CZ-CZ 4.05Å; I304-F320 HydrophobicContact CG2-CB 4.29Å; I304-F320 HydrophobicContact CG2-CD2 4.14Å; L305-F320 HydrophobicContact CD2-CE2 3.89Å; V308-F320 HydrophobicContact CG1-CD1 4.48Å; V308-F320 HydrophobicContact CG1-CE1 4.37Å; V308-F320 HydrophobicContact CG2-CB 4.04Å; V308-F320 HydrophobicContact CG2-CD1 4.21Å; V308-F320 HydrophobicContact CG2-CD2 4.12Å; V308-F320 HydrophobicContact CG2-CG 3.85Å; F316-F320 AromaticContact CD1-CD1 4Å; F316-F320 HydrophobicContact CD1-CD1 4Å; F316-F320 HydrophobicContact CE1-CB 4.25Å; F316-F320 HydrophobicContact CE1-CD1 4.2Å; F320-P322 HydrophobicContact CD2-CG 3.85Å; F320-P322 HydrophobicContact CE2-CG 3.85Å; F320-V345 CarbonylContact C-O 3.39Å; F320-V345 VanDerWaalsContact CA-O 3.24Å; F320-V345 WeakPolarHBondContact CA-O 3.33Å; F320-V345 HydrophobicContact CB-CB 4.13Å
321	R	97.3	Very high	94.3	Very high	1 Å²	1	27 Å²	27	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	101.7	176	-60.8	-68.1	165.5	127.6	-7.4	108.6	D319 Y323 F324 D328 E330 Y334 V345 L346 G347	D319-R321 IonicContact OD2-NE 2.76Å; D319-R321 IonicContact OD2-NH2 2.76Å; R321-Y323 PolarHBondContact O-N 3.43Å; R321-F324 HydrophobicContact CB-CB 3.86Å; R321-F324 HydrophobicContact CB-CD2 4.28Å; R321-F324 HydrophobicContact CB-CG 4.46Å; R321-F324 HydrophobicContact CG-CD2 4.02Å; R321-D328 IonicContact CZ-OD2 3.86Å; R321-D328 VanDerWaalsContact NH1-CG 3.32Å; R321-D328 IonicContact NH1-OD1 2.85Å; R321-D328 PolarHBondContact NH1-OD1 3.43Å; R321-D328 IonicContact NH1-OD2 3.04Å; R321-D328 PolarHBondContact NH1-OD2 2.98Å; R321-E330 IonicContact CZ-OE1 3.41Å; R321-E330 IonicContact CZ-OE2 3.04Å; R321-E330 IonicContact NH1-OE1 3.28Å; R321-E330 IonicContact NH1-OE2 2.9Å; R321-E330 PolarHBondContact NH1-OE2 2.83Å; R321-E330 IonicContact NH2-OE1 2.7Å; R321-E330 PolarHBondContact NH2-OE1 3.15Å; R321-E330 IonicContact NH2-OE2 2.93Å; R321-E330 PolarHBondContact NH2-OE2 3.05Å; R321-Y334 HydrophobicContact CG-CE2 4.2Å; R321-V345 PolarHBondContact N-O 3.35Å; R321-L346 HydrophobicContact CB-CD2 3.78Å; R321-L346 HydrophobicContact CG-CD2 3.65Å; R321-G347 PolarHBondContact O-N 2.9Å
322	P	97.5	Very high	93.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-56.9	-36.6	177.6	-25.4	35.6	0	0	0	112.3	T113 R115 C300 S301 I304 L305 F320	T113-P322 WeakPolarHBondContact O-CB 3.46Å; R115-P322 HydrophobicContact CB-CG 4.36Å; C300-P322 CarbonylContact C-O 3.56Å; C300-P322 PolarHBondContact SG-O 2.98Å; S301-P322 WeakPolarHBondContact CA-O 3.43Å; S301-P322 PolarHBondContact N-O 3.29Å; I304-P322 HydrophobicContact CB-CB 4.41Å; I304-P322 HydrophobicContact CG2-CB 4.46Å; I304-P322 HydrophobicContact CG2-CG 4.48Å; L305-P322 HydrophobicContact CD2-CB 4.43Å; L305-P322 HydrophobicContact CD2-CG 3.79Å; L305-P322 HydrophobicContact CG-CB 4.15Å; L305-P322 HydrophobicContact CG-CG 4.05Å; F320-P322 HydrophobicContact CD2-CG 3.85Å; F320-P322 HydrophobicContact CE2-CG 3.85Å
323	Y	96.8	Very high	93.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-137.9	120.4	172.7	-170.1	-122.7	0	0	0	109.4	D101 F112 P297 C300 R321 T325 T349	D101-Y323 VanDerWaalsContact CG-OH 3.29Å; D101-Y323 PolarHBondContact N-OH 3.47Å; D101-Y323 PolarHBondContact OD1-OH 2.92Å; F112-Y323 AromaticContact CD2-CD1 3.99Å; F112-Y323 HydrophobicContact CD2-CD1 3.99Å; F112-Y323 HydrophobicContact CD2-CG 4.26Å; F112-Y323 AromaticContact CE2-CD1 3.74Å; F112-Y323 HydrophobicContact CE2-CD1 3.74Å; F112-Y323 HydrophobicContact CE2-CE1 4Å; F112-Y323 HydrophobicContact CE2-CG 4.46Å; P297-Y323 HydrophobicContact CB-CD2 4.07Å; P297-Y323 HydrophobicContact CB-CE2 3.81Å; P297-Y323 HydrophobicContact CG-CE2 3.91Å; C300-Y323 HydrophobicContact CB-CD2 4.4Å; R321-Y323 PolarHBondContact O-N 3.43Å; Y323-T325 HydrophobicContact CD1-CG2 4.01Å; Y323-T325 HydrophobicContact CE1-CG2 3.47Å; Y323-T325 VanDerWaalsContact CE1-CG2 3.47Å; Y323-T349 HydrophobicContact CE2-CG2 3.92Å; Y323-T349 VanDerWaalsContact CE2-OG1 3.27Å; Y323-T349 WeakPolarHBondContact CE2-OG1 3.35Å; Y323-T349 PolarHBondContact OH-OG1 3.02Å
324	F	96	Very high	93.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.179	C	C	.	.			trans	-124.5	130.9	-176.7	-178.4	-107	0	0	0	109.7	R321 D328 F331 Y334 L346 G347 V348 F353 F357	R321-F324 HydrophobicContact CB-CB 3.86Å; R321-F324 HydrophobicContact CB-CD2 4.28Å; R321-F324 HydrophobicContact CB-CG 4.46Å; R321-F324 HydrophobicContact CG-CD2 4.02Å; F324-D328 HydrophobicContact CD2-CB 3.61Å; F324-D328 WeakPolarHBondContact CD2-OD2 3.28Å; F324-D328 HydrophobicContact CE2-CB 3.45Å; F324-D328 VanDerWaalsContact CE2-CB 3.45Å; F324-D328 VanDerWaalsContact CE2-CG 3.43Å; F324-D328 HydrophobicContact CZ-CB 4.33Å; F324-F331 HydrophobicContact CE1-CD2 4.04Å; F324-F331 HydrophobicContact CZ-CB 4.34Å; F324-F331 HydrophobicContact CZ-CD2 4.03Å; F324-Y334 HydrophobicContact CD2-CD2 4.44Å; F324-Y334 AromaticContact CE2-CD2 3.66Å; F324-Y334 HydrophobicContact CE2-CD2 3.66Å; F324-Y334 HydrophobicContact CE2-CE2 4.32Å; F324-Y334 AromaticContact CZ-CD2 3.88Å; F324-Y334 HydrophobicContact CZ-CD2 3.88Å; F324-Y334 HydrophobicContact CZ-CG 4.5Å; F324-L346 HydrophobicContact CD1-CD1 4.48Å; F324-L346 HydrophobicContact CD2-CD2 4.36Å; F324-L346 HydrophobicContact CE1-CD1 4.42Å; F324-L346 HydrophobicContact CG-CD2 4.29Å; F324-G347 WeakPolarHBondContact CB-O 3.29Å; F324-G347 PolarHBondContact N-O 3.24Å; F324-V348 HydrophobicContact CB-CG1 4.11Å; F324-V348 HydrophobicContact CD1-CG1 3.86Å; F324-V348 HydrophobicContact CG-CG1 4.5Å; F324-F353 AromaticContact CD1-CE1 3.81Å; F324-F353 HydrophobicContact CD1-CE1 3.81Å; F324-F353 AromaticContact CD1-CZ 3.78Å; F324-F353 HydrophobicContact CD1-CZ 3.78Å; F324-F353 AromaticContact CE1-CE1 3.64Å; F324-F353 HydrophobicContact CE1-CE1 3.64Å; F324-F353 AromaticContact CE1-CZ 3.94Å; F324-F353 HydrophobicContact CE1-CZ 3.94Å; F324-F357 HydrophobicContact CD1-CZ 4.45Å; F324-F357 HydrophobicContact CE1-CE2 4.4Å; F324-F357 AromaticContact CE1-CZ 3.91Å; F324-F357 HydrophobicContact CE1-CZ 3.91Å
325	T	94	Very high	93.2	Very high	1 Å²	1	39 Å²	39	1%	0.006	19%	0.186	C	C	.	.			trans	-124.7	170.1	-177	73.4	0	0	0	0	110.5	L97 D101 Y323 H327 D328	L97-T325 HydrophobicContact CD2-CG2 3.99Å; D101-T325 HydrophobicContact CB-CG2 3.84Å; Y323-T325 HydrophobicContact CD1-CG2 4.01Å; Y323-T325 HydrophobicContact CE1-CG2 3.47Å; Y323-T325 VanDerWaalsContact CE1-CG2 3.47Å; T325-H327 PolarHBondContact O-N 2.87Å; T325-H327 PolarHBondContact OG1-N 3.43Å; T325-D328 WeakPolarHBondContact O-CB 3.36Å; T325-D328 PolarHBondContact O-N 3.36Å
326	I	91.7	Very high	92.8	Very high	65 Å²	65	38.1 Å²	38.1	33%	0.333	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.8	176.2	62.3	174	0	0	0	113.4	F331 F352 F353	I326-F331 HydrophobicContact CB-CD2 4.46Å; I326-F331 HydrophobicContact CB-CE2 4.15Å; I326-F331 HydrophobicContact CG2-CE2 3.97Å; I326-F331 HydrophobicContact CG2-CZ 4.48Å; I326-F352 HydrophobicContact CG2-CD1 3.62Å; I326-F352 HydrophobicContact CG2-CE1 3.78Å; I326-F352 HydrophobicContact CG2-CG 4.47Å; I326-F353 HydrophobicContact CG2-CE1 4.45Å; I326-F353 HydrophobicContact CG2-CE2 4.1Å; I326-F353 HydrophobicContact CG2-CZ 3.8Å
327	H	90.2	Very high	92.1	Very high	92 Å²	92	44.7 Å²	44.7	43%	0.426	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	1	-179.1	-58.2	-67.8	0	0	0	112.7	Y96 T325	Y96-H327 HydrophobicContact CD1-CB 4.03Å; Y96-H327 AromaticContact CD1-CD2 3.88Å; Y96-H327 AromaticContact CD1-CG 3.76Å; Y96-H327 HydrophobicContact CD2-CB 3.91Å; Y96-H327 HydrophobicContact CG-CB 3.59Å; Y96-H327 AromaticContact CG-CG 3.86Å; T325-H327 PolarHBondContact O-N 2.87Å; T325-H327 PolarHBondContact OG1-N 3.43Å
328	D	91.8	Very high	91.4	Very high	9 Å²	9	48.1 Å²	48.1	5%	0.048	23%	0.231	C	C	.	.			trans	-61.9	139.6	176.2	-170.2	-63.3	0	0	0	110.3	R321 F324 T325 E330 F331	R321-D328 IonicContact CZ-OD2 3.86Å; R321-D328 VanDerWaalsContact NH1-CG 3.32Å; R321-D328 IonicContact NH1-OD1 2.85Å; R321-D328 PolarHBondContact NH1-OD1 3.43Å; R321-D328 IonicContact NH1-OD2 3.04Å; R321-D328 PolarHBondContact NH1-OD2 2.98Å; F324-D328 HydrophobicContact CD2-CB 3.61Å; F324-D328 WeakPolarHBondContact CD2-OD2 3.28Å; F324-D328 HydrophobicContact CE2-CB 3.45Å; F324-D328 VanDerWaalsContact CE2-CB 3.45Å; F324-D328 VanDerWaalsContact CE2-CG 3.43Å; F324-D328 HydrophobicContact CZ-CB 4.33Å; T325-D328 WeakPolarHBondContact O-CB 3.36Å; T325-D328 PolarHBondContact O-N 3.36Å; D328-E330 PolarHBondContact O-N 3.31Å; D328-E330 PolarHBondContact OD1-N 3.47Å; D328-F331 WeakPolarHBondContact O-CB 3.44Å; D328-F331 PolarHBondContact O-N 3.14Å
329	S	87.6	Confident	90.6	Very high	49 Å²	49	54.5 Å²	54.5	34%	0.343	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.5	-175.5	90.5	0	0	0	0	112.9	K89	K89-S329 WeakPolarHBondContact CE-OG 3.26Å; K89-S329 PolarHBondContact NZ-OG 3.02Å
330	E	90.3	Very high	90.1	Very high	10 Å²	10	57.3 Å²	57.3	5%	0.047	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	12.5	177.1	-65.8	105	135.5	0	0	112.7	R117 R321 D328 R332 E333 Y334	R117-E330 VanDerWaalsContact CB-OE1 3.3Å; R117-E330 WeakPolarHBondContact CB-OE1 3.24Å; R117-E330 IonicContact CZ-OE1 2.68Å; R117-E330 IonicContact NE-OE1 3.51Å; R117-E330 PolarHBondContact NE-OE1 3.46Å; R117-E330 IonicContact NH2-OE1 3.7Å; R321-E330 IonicContact CZ-OE1 3.41Å; R321-E330 IonicContact CZ-OE2 3.04Å; R321-E330 IonicContact NH1-OE1 3.28Å; R321-E330 IonicContact NH1-OE2 2.9Å; R321-E330 PolarHBondContact NH1-OE2 2.83Å; R321-E330 IonicContact NH2-OE1 2.7Å; R321-E330 PolarHBondContact NH2-OE1 3.15Å; R321-E330 IonicContact NH2-OE2 2.93Å; R321-E330 PolarHBondContact NH2-OE2 3.05Å; D328-E330 PolarHBondContact O-N 3.31Å; D328-E330 PolarHBondContact OD1-N 3.47Å; E330-R332 VanDerWaalsContact C-N 3.31Å; E330-R332 PolarHBondContact O-N 2.84Å; E330-E333 HydrophobicContact CB-CB 4.47Å; E330-E333 WeakPolarHBondContact O-CB 3.47Å; E330-E333 PolarHBondContact O-N 2.93Å; E330-Y334 HydrophobicContact CB-CD2 4.26Å; E330-Y334 HydrophobicContact CB-CE2 3.86Å; E330-Y334 PolarHBondContact O-N 3.26Å; E330-Y334 VanDerWaalsContact O-N 3.09Å
331	F	91.6	Very high	89.7	Confident	42 Å²	42	58.8 Å²	58.8	18%	0.184	30%	0.297	C	S	.	.	H	α-helix	trans	-53.6	-45.7	-179.5	178.5	-93.3	0	0	0	113.3	F324 I326 D328 E333 Y334 T335 F352 F353	F324-F331 HydrophobicContact CE1-CD2 4.04Å; F324-F331 HydrophobicContact CZ-CB 4.34Å; F324-F331 HydrophobicContact CZ-CD2 4.03Å; I326-F331 HydrophobicContact CB-CD2 4.46Å; I326-F331 HydrophobicContact CB-CE2 4.15Å; I326-F331 HydrophobicContact CG2-CE2 3.97Å; I326-F331 HydrophobicContact CG2-CZ 4.48Å; D328-F331 WeakPolarHBondContact O-CB 3.44Å; D328-F331 PolarHBondContact O-N 3.14Å; F331-E333 VanDerWaalsContact C-N 3.33Å; F331-E333 PolarHBondContact O-N 3.27Å; F331-Y334 PolarHBondContact O-N 3.45Å; F331-T335 HydrophobicContact CD1-CG2 4.41Å; F331-T335 HydrophobicContact CD2-CG2 3.93Å; F331-T335 HydrophobicContact CE1-CG2 4.14Å; F331-T335 HydrophobicContact CE2-CG2 3.65Å; F331-T335 HydrophobicContact CG-CG2 4.32Å; F331-T335 HydrophobicContact CZ-CG2 3.76Å; F331-T335 WeakPolarHBondContact O-CB 3.41Å; F331-T335 VanDerWaalsContact O-CG2 3.24Å; F331-T335 WeakPolarHBondContact O-CG2 3.5Å; F331-T335 PolarHBondContact O-N 3.35Å; F331-T335 PolarHBondContact O-OG1 2.86Å; F331-F352 HydrophobicContact CE2-CE1 4.07Å; F331-F352 AromaticContact CZ-CE1 3.77Å; F331-F352 HydrophobicContact CZ-CE1 3.77Å; F331-F352 HydrophobicContact CZ-CZ 4.22Å; F331-F353 HydrophobicContact CD2-CE1 4.18Å; F331-F353 HydrophobicContact CD2-CZ 4.44Å; F331-F353 AromaticContact CE2-CE1 3.63Å; F331-F353 HydrophobicContact CE2-CE1 3.63Å; F331-F353 HydrophobicContact CE2-CZ 4.07Å
332	R	89.4	Confident	89.5	Confident	220 Å²	220	60.9 Å²	60.9	83%	0.83	31%	0.311	S	S	*	.	H	α-helix	trans	-65.8	-36	179.6	-67.5	-176.1	178.8	-178.7	0.5	112.5	E330 T336	E330-R332 VanDerWaalsContact C-N 3.31Å; E330-R332 PolarHBondContact O-N 2.84Å; R332-T336 PolarHBondContact O-N 3.04Å
333	E	88.7	Confident	89.3	Confident	106 Å²	106	64.3 Å²	64.3	50%	0.495	33%	0.329	S	S	.	.	H	α-helix	trans	-65	-45.8	178.9	-175	-177.6	156.3	0	0	110.6	E330 F331 T336	E330-E333 HydrophobicContact CB-CB 4.47Å; E330-E333 WeakPolarHBondContact O-CB 3.47Å; E330-E333 PolarHBondContact O-N 2.93Å; F331-E333 VanDerWaalsContact C-N 3.33Å; F331-E333 PolarHBondContact O-N 3.27Å; E333-T336 WeakPolarHBondContact O-CG2 3.5Å
334	Y	90	Very high	89.3	Confident	6 Å²	6	64.4 Å²	64.4	2%	0.024	33%	0.33	C	S	.	.	H	α-helix	trans	-83.1	-18.7	-175.7	-60	-20.8	0	0	0	114	D319 R321 F324 E330 F331 P342 V344 L346 W360	D319-Y334 PolarHBondContact OD2-OH 3.17Å; R321-Y334 HydrophobicContact CG-CE2 4.2Å; F324-Y334 HydrophobicContact CD2-CD2 4.44Å; F324-Y334 AromaticContact CE2-CD2 3.66Å; F324-Y334 HydrophobicContact CE2-CD2 3.66Å; F324-Y334 HydrophobicContact CE2-CE2 4.32Å; F324-Y334 AromaticContact CZ-CD2 3.88Å; F324-Y334 HydrophobicContact CZ-CD2 3.88Å; F324-Y334 HydrophobicContact CZ-CG 4.5Å; E330-Y334 HydrophobicContact CB-CD2 4.26Å; E330-Y334 HydrophobicContact CB-CE2 3.86Å; E330-Y334 PolarHBondContact O-N 3.26Å; E330-Y334 VanDerWaalsContact O-N 3.09Å; F331-Y334 PolarHBondContact O-N 3.45Å; Y334-P342 HydrophobicContact CD1-CG 3.73Å; Y334-P342 HydrophobicContact CE1-CG 4.13Å; Y334-V344 HydrophobicContact CD1-CG1 4.49Å; Y334-V344 HydrophobicContact CE2-CG2 4.32Å; Y334-L346 HydrophobicContact CD2-CD1 4.39Å; Y334-L346 HydrophobicContact CD2-CD2 3.81Å; Y334-L346 HydrophobicContact CE2-CD2 4.16Å; Y334-W360 WeakPolarHBondContact O-CZ2 3.37Å
335	T	88.5	Confident	89.4	Confident	27 Å²	27	64.4 Å²	64.4	17%	0.166	33%	0.33	C	S	.	.	H	α-helix	trans	-101	-3.4	-178.4	61.6	0	0	0	0	114.2	F331 T356 F357	F331-T335 HydrophobicContact CD1-CG2 4.41Å; F331-T335 HydrophobicContact CD2-CG2 3.93Å; F331-T335 HydrophobicContact CE1-CG2 4.14Å; F331-T335 HydrophobicContact CE2-CG2 3.65Å; F331-T335 HydrophobicContact CG-CG2 4.32Å; F331-T335 HydrophobicContact CZ-CG2 3.76Å; F331-T335 WeakPolarHBondContact O-CB 3.41Å; F331-T335 VanDerWaalsContact O-CG2 3.24Å; F331-T335 WeakPolarHBondContact O-CG2 3.5Å; F331-T335 PolarHBondContact O-N 3.35Å; F331-T335 PolarHBondContact O-OG1 2.86Å; T335-T356 HydrophobicContact CG2-CG2 3.38Å; T335-F357 HydrophobicContact CG2-CE1 3.8Å; T335-F357 HydrophobicContact CG2-CZ 3.96Å
336	T	85.9	Confident	89.6	Confident	54 Å²	54	64.3 Å²	64.3	33%	0.331	33%	0.33	S	S	.	.			trans	-61.1	139.6	177.2	-169.2	0	0	0	0	111.6	R332 E333 T338 Q339	R332-T336 PolarHBondContact O-N 3.04Å; E333-T336 WeakPolarHBondContact O-CG2 3.5Å; T336-T338 PolarHBondContact OG1-N 3.05Å; T336-T338 PolarHBondContact OG1-OG1 2.84Å; T336-Q339 HydrophobicContact CG2-CB 4.37Å
337	R	81.9	Confident	89.9	Confident	155 Å²	155	61.2 Å²	61.2	59%	0.585	31%	0.314	S	S	*	.	S	Bend	trans	-101.2	-2.5	176.8	-64.9	-176.8	175.8	-172.7	-3.6	113.1	K355	R337-K355 PolarHBondContact NH2-O 3.48Å; R337-K355 VanDerWaalsContact NH2-O 3.17Å
338	T	80.4	Confident	90.2	Very high	122 Å²	122	56.9 Å²	56.9	75%	0.748	29%	0.293	S	S	*	.	S	Bend	trans	-80.6	-19.7	-177.6	56.6	0	0	0	0	112.7	T336	T336-T338 PolarHBondContact OG1-N 3.05Å; T336-T338 PolarHBondContact OG1-OG1 2.84Å
339	Q	80.8	Confident	90.2	Very high	146 Å²	146	57 Å²	57	68%	0.682	30%	0.295	S	S	*	.	S	Bend	trans	-123.6	160.4	-177.2	-63.9	-179	4	0	0	110.6	T336	T336-Q339 HydrophobicContact CG2-CB 4.37Å
340	A	85.4	Confident	90.4	Very high	85 Å²	85	56.5 Å²	56.5	70%	0.702	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-60.6	143.5	169.7	0	0	0	0	0	109.5
341	P	88	Confident	90.3	Very high	45 Å²	45	59.7 Å²	59.7	29%	0.292	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-54.7	132.3	176.6	-26.4	35.4	0	0	0	110.9	P289 W360	P289-P341 HydrophobicContact CB-CB 3.97Å; P289-P341 HydrophobicContact CG-CB 4.17Å; P341-W360 HydrophobicContact CB-CD2 4.06Å; P341-W360 HydrophobicContact CB-CE3 4.3Å; P341-W360 HydrophobicContact CB-CH2 4.39Å; P341-W360 HydrophobicContact CB-CZ2 4.11Å; P341-W360 HydrophobicContact CB-CZ3 4.47Å; P341-W360 HydrophobicContact CG-CD2 4.39Å; P341-W360 HydrophobicContact CG-CG 4.42Å
342	P	92.3	Very high	90.1	Very high	44 Å²	44	62.6 Å²	62.6	29%	0.286	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-65.8	158.4	178	25.1	-30.2	0	0	0	110.6	P289 Y334 V344	P289-P342 WeakPolarHBondContact CB-O 3.35Å; P289-P342 WeakPolarHBondContact CG-O 3.49Å; Y334-P342 HydrophobicContact CD1-CG 3.73Å; Y334-P342 HydrophobicContact CE1-CG 4.13Å; P342-V344 HydrophobicContact CG-CG1 3.91Å; P342-V344 PolarHBondContact O-N 2.95Å
343	N	94.9	Very high	90.2	Very high	72 Å²	72	52.1 Å²	52.1	39%	0.385	28%	0.283	S	S	.	.	S	Bend	trans	-67.6	84	172.1	-60.8	98.5	0	0	0	109.5	G287 C318 D319 P507	G287-N343 WeakPolarHBondContact O-CB 3.38Å; G287-N343 PolarHBondContact O-ND2 3.16Å; C318-N343 HydrophobicContact CB-CB 4.26Å; C318-N343 WeakPolarHBondContact CB-O 3.2Å; D319-N343 PolarHBondContact N-O 2.87Å; N343-P507 HydrophobicContact CB-CG 4Å
344	V	96.5	Very high	90.2	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	145.8	-178.7	67.4	0	0	0	0	111.4	P289 L290 D319 Y334 P342 L346 W360	P289-V344 WeakPolarHBondContact CA-O 3.43Å; L290-V344 PolarHBondContact N-O 2.98Å; D319-V344 HydrophobicContact CB-CB 4.31Å; D319-V344 HydrophobicContact CB-CG2 3.9Å; D319-V344 VanDerWaalsContact O-CA 3.24Å; D319-V344 WeakPolarHBondContact O-CA 3.5Å; D319-V344 WeakPolarHBondContact O-CG2 3.33Å; Y334-V344 HydrophobicContact CD1-CG1 4.49Å; Y334-V344 HydrophobicContact CE2-CG2 4.32Å; P342-V344 HydrophobicContact CG-CG1 3.91Å; P342-V344 PolarHBondContact O-N 2.95Å; V344-L346 HydrophobicContact CG1-CD1 4.34Å; V344-L346 HydrophobicContact CG1-CD2 4.21Å; V344-L346 HydrophobicContact CG1-CG 4.05Å; V344-L346 HydrophobicContact CG2-CD2 3.59Å; V344-L346 HydrophobicContact CG2-CG 4.17Å; V344-W360 HydrophobicContact CG1-CH2 3.5Å; V344-W360 VanDerWaalsContact CG1-CH2 3.5Å; V344-W360 HydrophobicContact CG1-CZ3 4Å
345	V	98.3	Very high	90.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	118	171.8	-170.8	0	0	0	0	109.6	M284 L290 I304 F316 D319 F320 R321	M284-V345 HydrophobicContact CE-CG2 3.7Å; M284-V345 HydrophobicContact SD-CG2 3.96Å; L290-V345 HydrophobicContact CB-CG1 4.25Å; L290-V345 HydrophobicContact CB-CG2 4.46Å; L290-V345 HydrophobicContact CD2-CG1 4.21Å; L290-V345 HydrophobicContact CG-CG1 4.34Å; L290-V345 CarbonylContact O-C 3.58Å; L290-V345 VanDerWaalsContact O-CA 3.3Å; L290-V345 WeakPolarHBondContact O-CA 3.46Å; I304-V345 HydrophobicContact CD1-CG1 3.75Å; I304-V345 HydrophobicContact CG2-CG1 4.26Å; F316-V345 HydrophobicContact CE1-CG2 4.23Å; F316-V345 HydrophobicContact CZ-CG2 3.65Å; D319-V345 PolarHBondContact O-N 2.91Å; D319-V345 VanDerWaalsContact O-N 3.09Å; F320-V345 CarbonylContact C-O 3.39Å; F320-V345 VanDerWaalsContact CA-O 3.24Å; F320-V345 WeakPolarHBondContact CA-O 3.33Å; F320-V345 HydrophobicContact CB-CB 4.13Å; R321-V345 PolarHBondContact N-O 3.35Å
346	L	97.9	Very high	90.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.3	-175.4	-59.2	178.8	0	0	0	111.2	L290 V291 V292 R321 F324 Y334 V344 F357 W360	L290-L346 PolarHBondContact O-N 3.36Å; V291-L346 CarbonylContact C-O 3.59Å; V291-L346 WeakPolarHBondContact CA-O 3.46Å; V291-L346 HydrophobicContact CG2-CB 4.47Å; V292-L346 PolarHBondContact N-O 3.18Å; R321-L346 HydrophobicContact CB-CD2 3.78Å; R321-L346 HydrophobicContact CG-CD2 3.65Å; F324-L346 HydrophobicContact CD1-CD1 4.48Å; F324-L346 HydrophobicContact CD2-CD2 4.36Å; F324-L346 HydrophobicContact CE1-CD1 4.42Å; F324-L346 HydrophobicContact CG-CD2 4.29Å; Y334-L346 HydrophobicContact CD2-CD1 4.39Å; Y334-L346 HydrophobicContact CD2-CD2 3.81Å; Y334-L346 HydrophobicContact CE2-CD2 4.16Å; V344-L346 HydrophobicContact CG1-CD1 4.34Å; V344-L346 HydrophobicContact CG1-CD2 4.21Å; V344-L346 HydrophobicContact CG1-CG 4.05Å; V344-L346 HydrophobicContact CG2-CD2 3.59Å; V344-L346 HydrophobicContact CG2-CG 4.17Å; L346-F357 HydrophobicContact CD1-CE1 4.13Å; L346-F357 HydrophobicContact CD1-CE2 4.08Å; L346-F357 HydrophobicContact CD1-CZ 3.57Å; L346-W360 HydrophobicContact CD1-CH2 3.54Å; L346-W360 HydrophobicContact CD1-CZ2 4.01Å; L346-W360 HydrophobicContact CD1-CZ3 4.21Å; L346-W360 HydrophobicContact CG-CH2 4.2Å
347	G	97.6	Very high	90.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.3	167.5	0	0	0	0	0	110.9	V292 C300 R321 F324	V292-G347 WeakPolarHBondContact O-CA 3.43Å; C300-G347 WeakPolarHBondContact SG-CA 3.38Å; R321-G347 PolarHBondContact O-N 2.9Å; F324-G347 WeakPolarHBondContact CB-O 3.29Å; F324-G347 PolarHBondContact N-O 3.24Å
348	V	95.8	Very high	90.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.7	177.9	-60.7	0	0	0	0	112.2	V291 V292 M293 A294 C300 F324 F353 F357	V291-V348 HydrophobicContact CG1-CG2 3.92Å; V292-V348 PolarHBondContact O-N 3.41Å; M293-V348 WeakPolarHBondContact CA-O 3.27Å; M293-V348 HydrophobicContact CB-CG2 4.32Å; M293-V348 HydrophobicContact CG-CG2 3.71Å; A294-V348 PolarHBondContact N-O 3.46Å; C300-V348 PolarHBondContact SG-N 3.03Å; F324-V348 HydrophobicContact CB-CG1 4.11Å; F324-V348 HydrophobicContact CD1-CG1 3.86Å; F324-V348 HydrophobicContact CG-CG1 4.5Å; V348-F353 HydrophobicContact CB-CB 4.21Å; V348-F353 HydrophobicContact CB-CD2 3.55Å; V348-F353 HydrophobicContact CB-CE2 4.03Å; V348-F353 HydrophobicContact CB-CG 3.95Å; V348-F353 HydrophobicContact CG1-CB 4.38Å; V348-F353 HydrophobicContact CG1-CD1 4.15Å; V348-F353 HydrophobicContact CG1-CD2 3.65Å; V348-F353 HydrophobicContact CG1-CE1 4.29Å; V348-F353 HydrophobicContact CG1-CE2 3.82Å; V348-F353 HydrophobicContact CG1-CG 3.81Å; V348-F353 HydrophobicContact CG1-CZ 4.13Å; V348-F353 HydrophobicContact CG2-CB 3.79Å; V348-F353 HydrophobicContact CG2-CD2 4.09Å; V348-F353 HydrophobicContact CG2-CG 4.09Å; V348-F357 HydrophobicContact CG1-CE2 4.19Å
349	T	93.2	Very high	90.9	Very high	13 Å²	13	45.3 Å²	45.3	8%	0.08	25%	0.247	C	C	.	.			trans	-114.4	-30.8	175	41.9	0	0	0	0	113	D101 P297 C300 Y323 P351	D101-T349 PolarHBondContact OD1-OG1 2.95Å; P297-T349 HydrophobicContact CG-CG2 4.35Å; C300-T349 HydrophobicContact CB-CG2 4.06Å; Y323-T349 HydrophobicContact CE2-CG2 3.92Å; Y323-T349 VanDerWaalsContact CE2-OG1 3.27Å; Y323-T349 WeakPolarHBondContact CE2-OG1 3.35Å; Y323-T349 PolarHBondContact OH-OG1 3.02Å; T349-P351 WeakPolarHBondContact O-CD 3.35Å
350	N	90.5	Very high	91.4	Very high	37 Å²	37	39 Å²	39	20%	0.198	22%	0.217	C	C	.	.			trans	-72.6	125.6	-175.9	-169.9	-33.1	0	0	0	112.7	D101 F352 F353	D101-N350 PolarHBondContact O-ND2 3.3Å; D101-N350 WeakPolarHBondContact OD2-CB 3.21Å; N350-F352 PolarHBondContact O-N 3.13Å; N350-F352 WeakPolarHBondContact OD1-CB 3.23Å; N350-F352 PolarHBondContact OD1-N 3.27Å; N350-F353 HydrophobicContact CB-CD2 3.98Å; N350-F353 HydrophobicContact CB-CE2 4.18Å; N350-F353 WeakPolarHBondContact O-CB 3.04Å; N350-F353 WeakPolarHBondContact O-CD2 3.39Å; N350-F353 PolarHBondContact O-N 3.23Å
351	P	87.9	Confident	91.8	Very high	77 Å²	77	37 Å²	37	50%	0.5	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-21.3	175.5	-27.3	35.9	0	0	0	115	T349 F353 I354	T349-P351 WeakPolarHBondContact O-CD 3.35Å; P351-F353 PolarHBondContact O-N 3.49Å; P351-F353 VanDerWaalsContact O-N 3.14Å; P351-I354 HydrophobicContact CB-CD1 4.15Å; P351-I354 WeakPolarHBondContact O-CB 3.41Å; P351-I354 VanDerWaalsContact O-CG1 3.27Å; P351-I354 WeakPolarHBondContact O-CG1 3.45Å; P351-I354 PolarHBondContact O-N 2.7Å
352	F	89.2	Confident	92.2	Very high	103 Å²	103	35.4 Å²	35.4	45%	0.452	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-40.8	170.9	169.2	-98.5	0	0	0	112.2	I326 F331 N350 I354 K355 T356	I326-F352 HydrophobicContact CG2-CD1 3.62Å; I326-F352 HydrophobicContact CG2-CE1 3.78Å; I326-F352 HydrophobicContact CG2-CG 4.47Å; F331-F352 HydrophobicContact CE2-CE1 4.07Å; F331-F352 AromaticContact CZ-CE1 3.77Å; F331-F352 HydrophobicContact CZ-CE1 3.77Å; F331-F352 HydrophobicContact CZ-CZ 4.22Å; N350-F352 PolarHBondContact O-N 3.13Å; N350-F352 WeakPolarHBondContact OD1-CB 3.23Å; N350-F352 PolarHBondContact OD1-N 3.27Å; F352-I354 PolarHBondContact O-N 3.08Å; F352-I354 VanDerWaalsContact O-N 3.12Å; F352-K355 PolarHBondContact O-N 2.88Å; F352-T356 VanDerWaalsContact CE1-OG1 3.22Å; F352-T356 WeakPolarHBondContact CE1-OG1 3.43Å; F352-T356 PolarHBondContact O-OG1 2.75Å
353	F	90.8	Very high	92.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.1	-15.1	-178.5	-71.9	-69.2	0	0	0	114.5	M293 F324 I326 F331 V348 N350 P351 K355 T356 F357	M293-F353 WeakPolarHBondContact CE-O 3.37Å; F324-F353 AromaticContact CD1-CE1 3.81Å; F324-F353 HydrophobicContact CD1-CE1 3.81Å; F324-F353 AromaticContact CD1-CZ 3.78Å; F324-F353 HydrophobicContact CD1-CZ 3.78Å; F324-F353 AromaticContact CE1-CE1 3.64Å; F324-F353 HydrophobicContact CE1-CE1 3.64Å; F324-F353 AromaticContact CE1-CZ 3.94Å; F324-F353 HydrophobicContact CE1-CZ 3.94Å; I326-F353 HydrophobicContact CG2-CE1 4.45Å; I326-F353 HydrophobicContact CG2-CE2 4.1Å; I326-F353 HydrophobicContact CG2-CZ 3.8Å; F331-F353 HydrophobicContact CD2-CE1 4.18Å; F331-F353 HydrophobicContact CD2-CZ 4.44Å; F331-F353 AromaticContact CE2-CE1 3.63Å; F331-F353 HydrophobicContact CE2-CE1 3.63Å; F331-F353 HydrophobicContact CE2-CZ 4.07Å; V348-F353 HydrophobicContact CB-CB 4.21Å; V348-F353 HydrophobicContact CB-CD2 3.55Å; V348-F353 HydrophobicContact CB-CE2 4.03Å; V348-F353 HydrophobicContact CB-CG 3.95Å; V348-F353 HydrophobicContact CG1-CB 4.38Å; V348-F353 HydrophobicContact CG1-CD1 4.15Å; V348-F353 HydrophobicContact CG1-CD2 3.65Å; V348-F353 HydrophobicContact CG1-CE1 4.29Å; V348-F353 HydrophobicContact CG1-CE2 3.82Å; V348-F353 HydrophobicContact CG1-CG 3.81Å; V348-F353 HydrophobicContact CG1-CZ 4.13Å; V348-F353 HydrophobicContact CG2-CB 3.79Å; V348-F353 HydrophobicContact CG2-CD2 4.09Å; V348-F353 HydrophobicContact CG2-CG 4.09Å; N350-F353 HydrophobicContact CB-CD2 3.98Å; N350-F353 HydrophobicContact CB-CE2 4.18Å; N350-F353 WeakPolarHBondContact O-CB 3.04Å; N350-F353 WeakPolarHBondContact O-CD2 3.39Å; N350-F353 PolarHBondContact O-N 3.23Å; P351-F353 PolarHBondContact O-N 3.49Å; P351-F353 VanDerWaalsContact O-N 3.14Å; F353-K355 VanDerWaalsContact C-N 3.32Å; F353-K355 PolarHBondContact O-N 3.34Å; F353-T356 HydrophobicContact CD1-CG2 4.46Å; F353-T356 PolarHBondContact O-N 3.39Å; F353-F357 HydrophobicContact CB-CD2 3.88Å; F353-F357 HydrophobicContact CB-CE2 4.13Å; F353-F357 AromaticContact CD1-CD2 3.76Å; F353-F357 HydrophobicContact CD1-CD2 3.76Å; F353-F357 AromaticContact CD1-CE2 3.2Å; F353-F357 HydrophobicContact CD1-CE2 3.2Å; F353-F357 AromaticContact CD1-CZ 3.87Å; F353-F357 HydrophobicContact CD1-CZ 3.87Å; F353-F357 AromaticContact CE1-CE2 3.79Å; F353-F357 HydrophobicContact CE1-CE2 3.79Å; F353-F357 HydrophobicContact CE1-CZ 4.11Å; F353-F357 HydrophobicContact CG-CD2 4.22Å; F353-F357 AromaticContact CG-CE2 3.95Å; F353-F357 HydrophobicContact CG-CE2 3.95Å; F353-F357 PolarHBondContact O-N 2.75Å
354	I	87.4	Confident	92.4	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.062	16%	0.155	C	C	.	.	H	α-helix	trans	-57.2	-47.6	173.7	-67.7	172.8	0	0	0	110.7	M293 P351 F352 Q358 T389 T392	M293-I354 HydrophobicContact CE-CG1 4.34Å; M293-I354 HydrophobicContact SD-CG1 3.79Å; P351-I354 HydrophobicContact CB-CD1 4.15Å; P351-I354 WeakPolarHBondContact O-CB 3.41Å; P351-I354 VanDerWaalsContact O-CG1 3.27Å; P351-I354 WeakPolarHBondContact O-CG1 3.45Å; P351-I354 PolarHBondContact O-N 2.7Å; F352-I354 PolarHBondContact O-N 3.08Å; F352-I354 VanDerWaalsContact O-N 3.12Å; I354-Q358 WeakPolarHBondContact O-CB 3.2Å; I354-Q358 PolarHBondContact O-N 3.37Å; I354-T389 WeakPolarHBondContact CG2-O 3.28Å; I354-T392 HydrophobicContact CD1-CG2 4.45Å
355	K	88	Confident	92.2	Very high	130 Å²	130	30.4 Å²	30.4	57%	0.565	16%	0.156	S	C	*	.	H	α-helix	trans	-77.3	-36	-179.6	-172.1	177.9	-179.4	-176.7	0	111.3	R337 F352 F353 Q358 T389	R337-K355 PolarHBondContact NH2-O 3.48Å; R337-K355 VanDerWaalsContact NH2-O 3.17Å; F352-K355 PolarHBondContact O-N 2.88Å; F353-K355 VanDerWaalsContact C-N 3.32Å; F353-K355 PolarHBondContact O-N 3.34Å; K355-Q358 WeakPolarHBondContact O-CG 3.43Å; K355-T389 HydrophobicContact CB-CG2 3.79Å; K355-T389 HydrophobicContact CD-CG2 4.14Å; K355-T389 HydrophobicContact CG-CG2 3.79Å
356	T	90.3	Very high	91.8	Very high	23 Å²	23	31.2 Å²	31.2	14%	0.141	16%	0.16	C	C	.	.	H	α-helix	trans	-62.6	-47.8	-178.5	-51.3	0	0	0	0	111.1	T335 F352 F353	T335-T356 HydrophobicContact CG2-CG2 3.38Å; F352-T356 VanDerWaalsContact CE1-OG1 3.22Å; F352-T356 WeakPolarHBondContact CE1-OG1 3.43Å; F352-T356 PolarHBondContact O-OG1 2.75Å; F353-T356 HydrophobicContact CD1-CG2 4.46Å; F353-T356 PolarHBondContact O-N 3.39Å
357	F	90.7	Very high	91.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	15.5	-175.5	-59	-47	0	0	0	114.6	V291 M293 F324 T335 L346 V348 F353 N359 W360 I363	V291-F357 HydrophobicContact CB-CD2 4.49Å; V291-F357 HydrophobicContact CG1-CD2 3.82Å; V291-F357 HydrophobicContact CG1-CE2 4.38Å; V291-F357 HydrophobicContact CG2-CB 4.03Å; V291-F357 HydrophobicContact CG2-CD2 3.9Å; V291-F357 HydrophobicContact CG2-CE2 4.44Å; V291-F357 HydrophobicContact CG2-CG 3.93Å; M293-F357 HydrophobicContact CE-CB 4.5Å; F324-F357 HydrophobicContact CD1-CZ 4.45Å; F324-F357 HydrophobicContact CE1-CE2 4.4Å; F324-F357 AromaticContact CE1-CZ 3.91Å; F324-F357 HydrophobicContact CE1-CZ 3.91Å; T335-F357 HydrophobicContact CG2-CE1 3.8Å; T335-F357 HydrophobicContact CG2-CZ 3.96Å; L346-F357 HydrophobicContact CD1-CE1 4.13Å; L346-F357 HydrophobicContact CD1-CE2 4.08Å; L346-F357 HydrophobicContact CD1-CZ 3.57Å; V348-F357 HydrophobicContact CG1-CE2 4.19Å; F353-F357 HydrophobicContact CB-CD2 3.88Å; F353-F357 HydrophobicContact CB-CE2 4.13Å; F353-F357 AromaticContact CD1-CD2 3.76Å; F353-F357 HydrophobicContact CD1-CD2 3.76Å; F353-F357 AromaticContact CD1-CE2 3.2Å; F353-F357 HydrophobicContact CD1-CE2 3.2Å; F353-F357 AromaticContact CD1-CZ 3.87Å; F353-F357 HydrophobicContact CD1-CZ 3.87Å; F353-F357 AromaticContact CE1-CE2 3.79Å; F353-F357 HydrophobicContact CE1-CE2 3.79Å; F353-F357 HydrophobicContact CE1-CZ 4.11Å; F353-F357 HydrophobicContact CG-CD2 4.22Å; F353-F357 AromaticContact CG-CE2 3.95Å; F353-F357 HydrophobicContact CG-CE2 3.95Å; F353-F357 PolarHBondContact O-N 2.75Å; F357-N359 PolarHBondContact O-N 3.22Å; F357-W360 HydrophobicContact CB-CB 4.4Å; F357-W360 HydrophobicContact CB-CG 4.01Å; F357-W360 AromaticContact CD1-CD1 3.66Å; F357-W360 HydrophobicContact CD1-CD2 4.19Å; F357-W360 AromaticContact CD1-CE2 3.54Å; F357-W360 HydrophobicContact CD1-CG 4.23Å; F357-W360 HydrophobicContact CD1-CZ2 4.01Å; F357-W360 AromaticContact CD1-NE1 3.24Å; F357-W360 AromaticContact CE1-CE2 3.86Å; F357-W360 AromaticContact CE1-CZ2 3.83Å; F357-W360 HydrophobicContact CE1-CZ2 3.83Å; F357-W360 AromaticContact CE1-NE1 3.84Å; F357-W360 HydrophobicContact CG-CG 4.45Å; F357-W360 WeakPolarHBondContact O-CB 3.44Å; F357-W360 PolarHBondContact O-N 3.06Å; F357-I363 VanDerWaalsContact O-CD1 3.3Å; F357-I363 WeakPolarHBondContact O-CD1 3.45Å
358	Q	87.3	Confident	89.9	Confident	51 Å²	51	40 Å²	40	24%	0.238	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.6	-177.2	68.2	-176.2	6.5	0	0	114.8	I354 K355 L387	I354-Q358 WeakPolarHBondContact O-CB 3.2Å; I354-Q358 PolarHBondContact O-N 3.37Å; K355-Q358 WeakPolarHBondContact O-CG 3.43Å; Q358-L387 HydrophobicContact CB-CD2 4.15Å
359	N	86.4	Confident	88.5	Confident	112 Å²	112	42.9 Å²	42.9	60%	0.599	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	1.8	-179.2	-66.1	-13.8	0	0	0	113.2	F357	F357-N359 PolarHBondContact O-N 3.22Å
360	W	91.9	Very high	86.8	Confident	13 Å²	13	50.9 Å²	50.9	5%	0.049	26%	0.255	C	S	.	.			trans	-68.2	147.4	178.2	-84.7	49.4	0	0	0	111.2	P289 V291 Y334 P341 V344 L346 F357 H362 I363 L384	P289-W360 HydrophobicContact CB-CE3 3.91Å; P289-W360 HydrophobicContact CB-CZ3 3.82Å; V291-W360 HydrophobicContact CG2-CB 4.43Å; V291-W360 HydrophobicContact CG2-CD2 3.67Å; V291-W360 HydrophobicContact CG2-CE3 3.37Å; V291-W360 HydrophobicContact CG2-CG 4.16Å; V291-W360 HydrophobicContact CG2-CH2 4.46Å; V291-W360 HydrophobicContact CG2-CZ3 3.8Å; Y334-W360 WeakPolarHBondContact O-CZ2 3.37Å; P341-W360 HydrophobicContact CB-CD2 4.06Å; P341-W360 HydrophobicContact CB-CE3 4.3Å; P341-W360 HydrophobicContact CB-CH2 4.39Å; P341-W360 HydrophobicContact CB-CZ2 4.11Å; P341-W360 HydrophobicContact CB-CZ3 4.47Å; P341-W360 HydrophobicContact CG-CD2 4.39Å; P341-W360 HydrophobicContact CG-CG 4.42Å; V344-W360 HydrophobicContact CG1-CH2 3.5Å; V344-W360 VanDerWaalsContact CG1-CH2 3.5Å; V344-W360 HydrophobicContact CG1-CZ3 4Å; L346-W360 HydrophobicContact CD1-CH2 3.54Å; L346-W360 HydrophobicContact CD1-CZ2 4.01Å; L346-W360 HydrophobicContact CD1-CZ3 4.21Å; L346-W360 HydrophobicContact CG-CH2 4.2Å; F357-W360 HydrophobicContact CB-CB 4.4Å; F357-W360 HydrophobicContact CB-CG 4.01Å; F357-W360 AromaticContact CD1-CD1 3.66Å; F357-W360 HydrophobicContact CD1-CD2 4.19Å; F357-W360 AromaticContact CD1-CE2 3.54Å; F357-W360 HydrophobicContact CD1-CG 4.23Å; F357-W360 HydrophobicContact CD1-CZ2 4.01Å; F357-W360 AromaticContact CD1-NE1 3.24Å; F357-W360 AromaticContact CE1-CE2 3.86Å; F357-W360 AromaticContact CE1-CZ2 3.83Å; F357-W360 HydrophobicContact CE1-CZ2 3.83Å; F357-W360 AromaticContact CE1-NE1 3.84Å; F357-W360 HydrophobicContact CG-CG 4.45Å; F357-W360 WeakPolarHBondContact O-CB 3.44Å; F357-W360 PolarHBondContact O-N 3.06Å; W360-H362 VanDerWaalsContact C-N 3.28Å; W360-H362 PolarHBondContact O-N 3.25Å; W360-I363 HydrophobicContact CB-CG1 4.35Å; W360-L384 WeakPolarHBondContact O-CD1 3.3Å; W360-L384 WeakPolarHBondContact O-CD2 3.27Å
361	P	93.7	Very high	84.7	Confident	43 Å²	43	56.9 Å²	56.9	28%	0.279	28%	0.284	S	S	.	.	S	Bend	trans	-66.6	-32.6	-172.2	26.4	-34.7	0	0	0	112.4	P289	P289-P361 HydrophobicContact CB-CG 3.97Å; P289-P361 HydrophobicContact CG-CG 4.25Å
362	H	96.1	Very high	82.6	Confident	12 Å²	12	58 Å²	58	6%	0.056	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123.6	-175.8	-48.8	-44.9	0	0	0	111.1	L283 E288 P289 L290 V291 W360 T398	L283-H362 HydrophobicContact CD1-CB 4.28Å; L283-H362 WeakPolarHBondContact CD2-NE2 3.46Å; E288-H362 IonicContact OE2-NE2 3.41Å; P289-H362 PolarHBondContact O-CD2 3.48Å; P289-H362 VanDerWaalsContact O-CD2 3.23Å; L290-H362 HydrophobicContact CB-CB 4.47Å; L290-H362 HydrophobicContact CD1-CB 3.62Å; V291-H362 PolarHBondContact N-O 2.99Å; W360-H362 VanDerWaalsContact C-N 3.28Å; W360-H362 PolarHBondContact O-N 3.25Å; H362-T398 PolarHBondContact CE1-OG1 3.19Å; H362-T398 PolarHBondContact ND1-OG1 3.28Å
363	I	95.6	Very high	80.9	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.7	176.6	-53.1	172.9	0	0	0	109	V291 M293 F357 W360 R365 L384 L387 I396 Y397	V291-I363 CarbonylContact O-C 3.58Å; V291-I363 WeakPolarHBondContact O-CA 3.28Å; M293-I363 HydrophobicContact CE-CG2 3.91Å; M293-I363 HydrophobicContact CG-CG2 4.42Å; M293-I363 HydrophobicContact SD-CG2 3.97Å; F357-I363 VanDerWaalsContact O-CD1 3.3Å; F357-I363 WeakPolarHBondContact O-CD1 3.45Å; W360-I363 HydrophobicContact CB-CG1 4.35Å; I363-R365 HydrophobicContact CG2-CG 4.11Å; I363-L384 HydrophobicContact CD1-CD1 4.04Å; I363-L387 HydrophobicContact CD1-CD2 3.55Å; I363-I396 CarbonylContact O-C 3.58Å; I363-Y397 PolarHBondContact N-O 2.89Å; I363-Y397 PolarHBondContact O-N 3.14Å
364	V	95.2	Very high	79.2	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.03	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118	173.7	173.2	0	0	0	0	108	L280 L290 V291 V292 M293 L366 I396	L280-V364 HydrophobicContact CD2-CG2 4.07Å; L290-V364 HydrophobicContact CD1-CG2 3.83Å; V291-V364 PolarHBondContact O-N 2.74Å; V292-V364 CarbonylContact C-O 3.56Å; V292-V364 VanDerWaalsContact CA-O 3.31Å; V292-V364 WeakPolarHBondContact CA-O 3.41Å; V292-V364 HydrophobicContact CG2-CB 4.27Å; M293-V364 PolarHBondContact N-O 3.25Å; V364-L366 HydrophobicContact CG1-CD2 3.68Å; V364-L366 HydrophobicContact CG1-CG 4.27Å; V364-I396 HydrophobicContact CG2-CG1 4.24Å; V364-I396 HydrophobicContact CG2-CG2 4.18Å
365	R	92.4	Very high	78.1	Confident	8 Å²	8	67.6 Å²	67.6	3%	0.03	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	115.5	174.3	-61.1	-165.1	173.8	155.8	-11.8	110	M293 I363 L387 D391 P394 G395 Y397	M293-R365 HydrophobicContact CB-CG 4.13Å; M293-R365 HydrophobicContact CG-CG 4.45Å; M293-R365 WeakPolarHBondContact O-CA 3.34Å; M293-R365 HydrophobicContact SD-CG 4Å; M293-R365 PolarHBondContact SD-NE 2.73Å; I363-R365 HydrophobicContact CG2-CG 4.11Å; R365-L387 VanDerWaalsContact NH1-CD1 3.29Å; R365-L387 VanDerWaalsContact NH2-CD1 3.34Å; R365-D391 PolarHBondContact NH1-O 2.9Å; R365-P394 VanDerWaalsContact O-CA 3.32Å; R365-P394 WeakPolarHBondContact O-CA 3.43Å; R365-G395 PolarHBondContact N-O 3.47Å; R365-G395 PolarHBondContact O-N 2.93Å; R365-Y397 HydrophobicContact CG-CD2 4.47Å; R365-Y397 HydrophobicContact CG-CE2 4.12Å
366	L	90.6	Very high	77.1	Confident	16 Å²	16	62.6 Å²	62.6	8%	0.084	36%	0.356	C	S	.	.			trans	-89.7	143.2	177.4	-53.5	177.7	0	0	0	109.4	V273 V292 M293 A294 V299 T303 V364	V273-L366 HydrophobicContact CG1-CD2 4.32Å; V292-L366 HydrophobicContact CG1-CD1 3.71Å; V292-L366 HydrophobicContact CG1-CG 4.05Å; M293-L366 PolarHBondContact O-N 3.08Å; A294-L366 HydrophobicContact CB-CD1 4.22Å; V299-L366 HydrophobicContact CG1-CD1 3.9Å; T303-L366 HydrophobicContact CG2-CD1 4.02Å; V364-L366 HydrophobicContact CG1-CD2 3.68Å; V364-L366 HydrophobicContact CG1-CG 4.27Å
367	G	82.1	Confident	76.5	Confident	21 Å²	21	71 Å²	71	22%	0.216	39%	0.39	C	S	.	.			trans	-96	174.5	168.7	0	0	0	0	0	111	I369 P394	G367-I369 PolarHBondContact O-N 3.27Å; G367-P394 VanDerWaalsContact CA-CG 3.49Å
368	E	73.1	Confident	76.2	Confident	165 Å²	165	73.1 Å²	73.1	77%	0.771	40%	0.4	S	S	*	.			trans	-57.1	134	168.4	-68.3	179.3	179.1	0	0	110.8	P295 K370	P295-E368 HydrophobicContact CB-CG 4.24Å; E368-K370 PolarHBondContact O-N 2.78Å; E368-K370 VanDerWaalsContact O-N 3.15Å
369	I	65.6	Low	76.2	Confident	60 Å²	60	71.1 Å²	71.1	31%	0.308	39%	0.392	S	S	.	.			trans	-76.7	101.7	174.3	-57.4	172	0	0	0	106.5	K268 V299 G367 M371	K268-I369 HydrophobicContact CG-CD1 4.41Å; V299-I369 HydrophobicContact CG2-CD1 4.25Å; G367-I369 PolarHBondContact O-N 3.27Å; I369-M371 PolarHBondContact O-N 3.12Å
370	K	58.6	Low	76.3	Confident	180 Å²	180	73.5 Å²	73.5	78%	0.783	40%	0.397	S	S	*	.			trans	-66.3	121.8	171.3	-65.8	-168.2	175.9	-161.5	0	109.2	E368	E368-K370 PolarHBondContact O-N 2.78Å; E368-K370 VanDerWaalsContact O-N 3.15Å
371	M	46.2	Very low	76.1	Confident	164 Å²	164	75.8 Å²	75.8	81%	0.808	41%	0.412	S	S	*	.			trans	-82.5	141.6	168	-75.7	-71.6	-168.8	0	0	110.3	I369	I369-M371 PolarHBondContact O-N 3.12Å
372	A	43.3	Very low	76	Confident	99 Å²	99	76.2 Å²	76.2	82%	0.818	41%	0.41	S	S	*	.	S	Bend	trans	75.3	121	170.7	0	0	0	0	0	119.2	D374	A372-D374 PolarHBondContact O-N 3.34Å
373	G	52.7	Low	75.4	Confident	83 Å²	83	82.8 Å²	82.8	86%	0.856	44%	0.438	S	S	*	.	S	Bend	trans	97.8	-50.9	153.5	0	0	0	0	0	116.8
374	D	56.6	Low	74.7	Confident	143 Å²	143	85.2 Å²	85.2	77%	0.765	45%	0.451	S	S	*	.	S	Bend	trans	-91.7	145.6	-173.7	-77.2	-20.9	0	0	0	112.9	A372 P376	A372-D374 PolarHBondContact O-N 3.34Å; D374-P376 WeakPolarHBondContact O-CD 3.43Å
375	L	63.1	Low	73.8	Confident	91 Å²	91	90.2 Å²	90.2	48%	0.476	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-58.9	125.3	169.7	-87.8	105.3	0	0	0	109.2	K377 Q419	L375-K377 PolarHBondContact O-N 2.89Å; L375-K377 VanDerWaalsContact O-N 3.16Å; L375-Q419 HydrophobicContact CD1-CG 4.07Å; L375-Q419 HydrophobicContact CD2-CG 4.46Å; L375-Q419 HydrophobicContact CG-CG 4.45Å
376	P	67.8	Low	73	Confident	26 Å²	26	96.2 Å²	96.2	17%	0.169	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-60.7	124.2	179.1	20.8	-29.1	0	0	0	109.3	Q271 D374 Q378 I418	Q271-P376 HydrophobicContact CG-CB 3.97Å; Q271-P376 HydrophobicContact CG-CG 3.55Å; D374-P376 WeakPolarHBondContact O-CD 3.43Å; P376-Q378 PolarHBondContact O-N 3.07Å; P376-Q378 PolarHBondContact O-NE2 3.39Å; P376-I418 HydrophobicContact CG-CD1 3.75Å
377	K	77.1	Confident	72.3	Confident	198 Å²	198	96.5 Å²	96.5	86%	0.861	51%	0.514	S	S	*	.			trans	-59.3	110.2	178.6	-71.9	-176.1	-179.3	178.5	0	108.6	L375 V379	L375-K377 PolarHBondContact O-N 2.89Å; L375-K377 VanDerWaalsContact O-N 3.16Å; K377-V379 PolarHBondContact O-N 3.39Å
378	Q	85.8	Confident	72	Confident	45 Å²	45	103 Å²	103	21%	0.21	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-63.7	130.5	176.2	-64.3	-62.2	-62.9	0	0	109.5	Q271 I275 P376	Q271-Q378 PolarHBondContact O-NE2 2.69Å; I275-Q378 HydrophobicContact CD1-CB 3.87Å; I275-Q378 HydrophobicContact CG1-CB 4.16Å; I275-Q378 HydrophobicContact CG1-CG 4.49Å; I275-Q378 HydrophobicContact CG2-CG 4Å; P376-Q378 PolarHBondContact O-N 3.07Å; P376-Q378 PolarHBondContact O-NE2 3.39Å
379	V	87.1	Confident	71.8	Confident	10 Å²	10	98.4 Å²	98.4	6%	0.061	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-66.5	144.3	-177.9	176.1	0	0	0	0	110.2	S272 V273 H276 K377 P394 G395 I396	S272-V379 WeakPolarHBondContact O-CG2 3.22Å; S272-V379 PolarHBondContact O-N 3.04Å; V273-V379 HydrophobicContact CG1-CB 4.47Å; H276-V379 PolarHBondContact NE2-O 2.91Å; K377-V379 PolarHBondContact O-N 3.39Å; V379-P394 HydrophobicContact CG2-CB 4.14Å; V379-G395 VanDerWaalsContact CG1-N 3.26Å; V379-I396 HydrophobicContact CG1-CG1 4.05Å
380	K	88.1	Confident	71.6	Confident	161 Å²	161	103.2 Å²	103.2	70%	0.7	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-91.7	144.5	177.1	-65.2	-174.9	179.9	-177.9	0	111.1	I396	K380-I396 PolarHBondContact O-N 3.4Å; K380-I396 VanDerWaalsContact O-N 3.1Å
381	V	88.5	Confident	72	Confident	62 Å²	62	96.1 Å²	96.1	38%	0.376	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	133.7	168.1	178.6	0	0	0	0	109.3	H276 M279 I396 T398	H276-V381 VanDerWaalsContact CE1-CG2 3.43Å; H276-V381 WeakPolarHBondContact CE1-CG2 3.22Å; M279-V381 HydrophobicContact CE-CG2 4.24Å; V381-I396 CarbonylContact C-O 3.21Å; V381-I396 VanDerWaalsContact CA-O 3.29Å; V381-I396 WeakPolarHBondContact CA-O 3.43Å; V381-I396 HydrophobicContact CG2-CB 4.22Å; V381-T398 HydrophobicContact CG1-CG2 4.04Å
382	K	89.7	Confident	73.2	Confident	52 Å²	52	93.5 Å²	93.5	23%	0.226	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.6	179.5	-61.8	174.9	-171	166.8	0	109.3	D391 I396 Y397 T398	K382-D391 IonicContact NZ-OD2 3.42Å; K382-I396 PolarHBondContact N-O 3.2Å; K382-Y397 HydrophobicContact CB-CD1 3.88Å; K382-Y397 HydrophobicContact CB-CE1 4.03Å; K382-Y397 HydrophobicContact CD-CD1 4.34Å; K382-Y397 HydrophobicContact CD-CE1 3.63Å; K382-Y397 HydrophobicContact CG-CE1 4.46Å; K382-Y397 PolarHBondContact NZ-OH 2.83Å; K382-Y397 VanDerWaalsContact NZ-OH 3.15Å; K382-Y397 WeakPolarHBondContact O-CA 3.44Å; K382-T398 PolarHBondContact O-N 3.42Å; K382-T398 VanDerWaalsContact O-N 3.16Å
383	K	83.9	Confident	75	Confident	150 Å²	150	95.2 Å²	95.2	65%	0.652	50%	0.498	S	S	*	.			trans	-65.1	147.7	168.7	-67.5	-170.6	178.3	-175	0	109.8	S385 K386	K383-S385 PolarHBondContact O-N 3.49Å; K383-K386 WeakPolarHBondContact O-CB 3.41Å; K383-K386 PolarHBondContact O-N 3.36Å
384	L	80.8	Confident	76.7	Confident	50 Å²	50	94.1 Å²	94.1	26%	0.262	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-58.7	-35.4	178.8	-166.1	67.8	0	0	0	112.4	W360 I363 K386 L387	W360-L384 WeakPolarHBondContact O-CD1 3.3Å; W360-L384 WeakPolarHBondContact O-CD2 3.27Å; I363-L384 HydrophobicContact CD1-CD1 4.04Å; L384-K386 PolarHBondContact O-N 3.09Å; L384-L387 HydrophobicContact CD1-CD2 4.33Å; L384-L387 WeakPolarHBondContact O-CB 3.38Å; L384-L387 PolarHBondContact O-N 2.95Å
385	S	77.1	Confident	78.4	Confident	110 Å²	110	87.3 Å²	87.3	77%	0.769	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-60.8	-16.4	175.6	59.8	0	0	0	0	115	K383 L387	K383-S385 PolarHBondContact O-N 3.49Å; S385-L387 VanDerWaalsContact C-N 3.33Å
386	K	74.8	Confident	79.9	Confident	135 Å²	135	83.1 Å²	83.1	59%	0.587	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-87.6	-3.3	175.2	-61.9	-172.9	176.9	-174.5	0	112.8	K383 L384 K388	K383-K386 WeakPolarHBondContact O-CB 3.41Å; K383-K386 PolarHBondContact O-N 3.36Å; L384-K386 PolarHBondContact O-N 3.09Å; K386-K388 PolarHBondContact O-N 2.8Å; K386-K388 VanDerWaalsContact O-N 3.16Å
387	L	76.4	Confident	81.1	Confident	22 Å²	22	81.9 Å²	81.9	12%	0.115	41%	0.409	C	S	.	.			trans	-73.2	100.7	175.5	-167.4	78.8	0	0	0	108.9	Q358 I363 R365 L384 S385 Y397	Q358-L387 HydrophobicContact CB-CD2 4.15Å; I363-L387 HydrophobicContact CD1-CD2 3.55Å; R365-L387 VanDerWaalsContact NH1-CD1 3.29Å; R365-L387 VanDerWaalsContact NH2-CD1 3.34Å; L384-L387 HydrophobicContact CD1-CD2 4.33Å; L384-L387 WeakPolarHBondContact O-CB 3.38Å; L384-L387 PolarHBondContact O-N 2.95Å; S385-L387 VanDerWaalsContact C-N 3.33Å; L387-Y397 HydrophobicContact CB-CD1 3.94Å; L387-Y397 HydrophobicContact CB-CE1 4.13Å; L387-Y397 HydrophobicContact CD1-CD1 3.5Å; L387-Y397 VanDerWaalsContact CD1-CD1 3.5Å; L387-Y397 HydrophobicContact CD1-CD2 3.72Å; L387-Y397 HydrophobicContact CD1-CE1 3.47Å; L387-Y397 VanDerWaalsContact CD1-CE1 3.47Å; L387-Y397 HydrophobicContact CD1-CE2 3.74Å; L387-Y397 HydrophobicContact CD1-CG 3.61Å; L387-Y397 HydrophobicContact CG-CD1 4.37Å; L387-Y397 HydrophobicContact CG-CE1 4.45Å
388	K	75.3	Confident	81.9	Confident	158 Å²	158	72.8 Å²	72.8	69%	0.687	37%	0.37	S	S	*	.			trans	-80.6	143.2	170.5	-57.6	-175.4	176.1	-172.3	0	109.1	K386 L390 D391	K386-K388 PolarHBondContact O-N 2.8Å; K386-K388 VanDerWaalsContact O-N 3.16Å; K388-L390 PolarHBondContact O-N 3.16Å; K388-D391 HydrophobicContact CB-CB 3.99Å; K388-D391 PolarHBondContact O-N 2.95Å
389	T	69.1	Low	82.3	Confident	67 Å²	67	74.9 Å²	74.9	41%	0.411	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.9	-178.3	-40.3	0	0	0	0	113.7	I354 K355	I354-T389 WeakPolarHBondContact CG2-O 3.28Å; K355-T389 HydrophobicContact CB-CG2 3.79Å; K355-T389 HydrophobicContact CD-CG2 4.14Å; K355-T389 HydrophobicContact CG-CG2 3.79Å
390	L	62.4	Low	82.7	Confident	161 Å²	161	76.2 Å²	76.2	84%	0.843	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	0.2	179.3	-64.9	168.8	0	0	0	113.7	K388 T392	K388-L390 PolarHBondContact O-N 3.16Å; L390-T392 PolarHBondContact O-N 3.14Å
391	D	66.3	Low	83.1	Confident	32 Å²	32	77.1 Å²	77.1	17%	0.171	40%	0.403	C	S	.	.			trans	-74	118.4	178.8	-173.6	17	0	0	0	108.8	R365 K382 K388 K393 Y397	R365-D391 PolarHBondContact NH1-O 2.9Å; K382-D391 IonicContact NZ-OD2 3.42Å; K388-D391 HydrophobicContact CB-CB 3.99Å; K388-D391 PolarHBondContact O-N 2.95Å; D391-K393 WeakPolarHBondContact OD1-CB 3.32Å; D391-K393 WeakPolarHBondContact OD1-CD 3.29Å; D391-K393 WeakPolarHBondContact OD1-CG 3.43Å; D391-K393 PolarHBondContact OD1-N 2.79Å; D391-K393 VanDerWaalsContact OD1-N 3.08Å; D391-Y397 PolarHBondContact OD2-OH 2.81Å
392	T	70.7	Confident	83.5	Confident	109 Å²	109	76.9 Å²	76.9	67%	0.669	40%	0.402	S	S	*	.			trans	-97.8	4.6	175.5	53	0	0	0	0	112.3	I354 L390	I354-T392 HydrophobicContact CD1-CG2 4.45Å; L390-T392 PolarHBondContact O-N 3.14Å
393	K	82.6	Confident	83.8	Confident	135 Å²	135	77 Å²	77	59%	0.587	40%	0.403	S	S	*	.			trans	-65.5	137.4	-175.8	-70.4	174.2	-175.1	-179.5	0	111.7	D391 G395	D391-K393 WeakPolarHBondContact OD1-CB 3.32Å; D391-K393 WeakPolarHBondContact OD1-CD 3.29Å; D391-K393 WeakPolarHBondContact OD1-CG 3.43Å; D391-K393 PolarHBondContact OD1-N 2.79Å; D391-K393 VanDerWaalsContact OD1-N 3.08Å; K393-G395 PolarHBondContact O-N 3.19Å
394	P	88.2	Confident	84.4	Confident	60 Å²	60	69.9 Å²	69.9	39%	0.39	37%	0.371	S	S	.	.			trans	-54.7	139.4	171.4	-26.8	35.8	0	0	0	111.7	R365 G367 V379	R365-P394 VanDerWaalsContact O-CA 3.32Å; R365-P394 WeakPolarHBondContact O-CA 3.43Å; G367-P394 VanDerWaalsContact CA-CG 3.49Å; V379-P394 HydrophobicContact CG2-CB 4.14Å
395	G	91.4	Very high	85.1	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	145.8	-167.8	0	0	0	0	0	112.4	R365 V379 K393	R365-G395 PolarHBondContact N-O 3.47Å; R365-G395 PolarHBondContact O-N 2.93Å; V379-G395 VanDerWaalsContact CG1-N 3.26Å; K393-G395 PolarHBondContact O-N 3.19Å
396	I	94.3	Very high	85.9	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.015	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.8	162.8	-56.7	-176.7	0	0	0	106.9	V273 H276 M279 I363 V364 V379 K380 V381 K382 T398	V273-I396 HydrophobicContact CB-CD1 4.38Å; V273-I396 HydrophobicContact CG1-CD1 3.99Å; V273-I396 HydrophobicContact CG1-CG1 4.44Å; H276-I396 HydrophobicContact CB-CD1 3.82Å; H276-I396 VanDerWaalsContact CD2-CD1 3.43Å; H276-I396 WeakPolarHBondContact CD2-CD1 3.28Å; M279-I396 HydrophobicContact SD-CG2 4.47Å; I363-I396 CarbonylContact O-C 3.58Å; V364-I396 HydrophobicContact CG2-CG1 4.24Å; V364-I396 HydrophobicContact CG2-CG2 4.18Å; V379-I396 HydrophobicContact CG1-CG1 4.05Å; K380-I396 PolarHBondContact O-N 3.4Å; K380-I396 VanDerWaalsContact O-N 3.1Å; V381-I396 CarbonylContact C-O 3.21Å; V381-I396 VanDerWaalsContact CA-O 3.29Å; V381-I396 WeakPolarHBondContact CA-O 3.43Å; V381-I396 HydrophobicContact CG2-CB 4.22Å; K382-I396 PolarHBondContact N-O 3.2Å; I396-T398 HydrophobicContact CG2-CG2 3.89Å
397	Y	93.8	Very high	86.8	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	106.2	-178.2	-59.1	-100.9	0	0	0	108.4	I363 R365 K382 L387 D391	I363-Y397 PolarHBondContact N-O 2.89Å; I363-Y397 PolarHBondContact O-N 3.14Å; R365-Y397 HydrophobicContact CG-CD2 4.47Å; R365-Y397 HydrophobicContact CG-CE2 4.12Å; K382-Y397 HydrophobicContact CB-CD1 3.88Å; K382-Y397 HydrophobicContact CB-CE1 4.03Å; K382-Y397 HydrophobicContact CD-CD1 4.34Å; K382-Y397 HydrophobicContact CD-CE1 3.63Å; K382-Y397 HydrophobicContact CG-CE1 4.46Å; K382-Y397 PolarHBondContact NZ-OH 2.83Å; K382-Y397 VanDerWaalsContact NZ-OH 3.15Å; K382-Y397 WeakPolarHBondContact O-CA 3.44Å; L387-Y397 HydrophobicContact CB-CD1 3.94Å; L387-Y397 HydrophobicContact CB-CE1 4.13Å; L387-Y397 HydrophobicContact CD1-CD1 3.5Å; L387-Y397 VanDerWaalsContact CD1-CD1 3.5Å; L387-Y397 HydrophobicContact CD1-CD2 3.72Å; L387-Y397 HydrophobicContact CD1-CE1 3.47Å; L387-Y397 VanDerWaalsContact CD1-CE1 3.47Å; L387-Y397 HydrophobicContact CD1-CE2 3.74Å; L387-Y397 HydrophobicContact CD1-CG 3.61Å; L387-Y397 HydrophobicContact CG-CD1 4.37Å; L387-Y397 HydrophobicContact CG-CE1 4.45Å; D391-Y397 PolarHBondContact OD2-OH 2.81Å
398	T	94.8	Very high	87.6	Confident	7 Å²	7	74.3 Å²	74.3	4%	0.043	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	152.1	-175.9	-178.8	0	0	0	0	110.6	M279 H362 V381 K382 I396 Y400	M279-T398 HydrophobicContact CE-CG2 4.36Å; M279-T398 HydrophobicContact SD-CG2 3.66Å; H362-T398 PolarHBondContact CE1-OG1 3.19Å; H362-T398 PolarHBondContact ND1-OG1 3.28Å; V381-T398 HydrophobicContact CG1-CG2 4.04Å; K382-T398 PolarHBondContact O-N 3.42Å; K382-T398 VanDerWaalsContact O-N 3.16Å; I396-T398 HydrophobicContact CG2-CG2 3.89Å; T398-Y400 WeakPolarHBondContact OG1-CB 3.5Å; T398-Y400 PolarHBondContact OG1-N 2.83Å
399	A	93.9	Very high	88.6	Confident	89 Å²	89	73.2 Å²	73.2	74%	0.736	38%	0.378	S	S	*	.			trans	-100.9	1	167.3	0	0	0	0	0	112.6
400	Y	95.8	Very high	89.8	Confident	37 Å²	37	70.6 Å²	70.6	15%	0.145	36%	0.361	C	S	.	.			trans	-63.1	135.6	-176.5	-172.2	-95.4	0	0	0	111.6	M279 E282 L283 L286 T398 T402 F403	M279-Y400 HydrophobicContact CG-CD1 4.01Å; E282-Y400 HydrophobicContact CB-CE1 4.05Å; E282-Y400 WeakPolarHBondContact OE2-CE1 3.39Å; E282-Y400 PolarHBondContact OE2-OH 3.5Å; L283-Y400 HydrophobicContact CD2-CD1 4.03Å; L283-Y400 HydrophobicContact CD2-CD2 3.78Å; L283-Y400 HydrophobicContact CD2-CE1 4.34Å; L283-Y400 HydrophobicContact CD2-CE2 4.13Å; L283-Y400 HydrophobicContact CD2-CG 3.74Å; L286-Y400 HydrophobicContact CD1-CE2 4.11Å; L286-Y400 VanDerWaalsContact CD1-OH 3.25Å; L286-Y400 WeakPolarHBondContact CD1-OH 3.35Å; T398-Y400 WeakPolarHBondContact OG1-CB 3.5Å; T398-Y400 PolarHBondContact OG1-N 2.83Å; Y400-T402 HydrophobicContact CD1-CG2 4.39Å; Y400-T402 HydrophobicContact CE1-CG2 4.12Å; Y400-F403 WeakPolarHBondContact OH-CD2 2.81Å
401	K	94.9	Very high	91.3	Very high	181 Å²	181	63.9 Å²	63.9	79%	0.787	33%	0.326	S	S	*	.			trans	-113.1	126.7	174	-67.3	-179.2	-179.9	177.4	0	107.6
402	T	96.9	Very high	92.6	Very high	56 Å²	56	69.6 Å²	69.6	34%	0.344	35%	0.349	S	S	.	.			trans	-69	140.2	-179.5	55.2	0	0	0	0	111.2	M279 E282 Y400 L404	M279-T402 HydrophobicContact CB-CG2 3.67Å; M279-T402 HydrophobicContact CG-CG2 4.14Å; E282-T402 WeakPolarHBondContact OE1-CB 3.45Å; E282-T402 VanDerWaalsContact OE2-CA 3.22Å; E282-T402 WeakPolarHBondContact OE2-CA 3.18Å; Y400-T402 HydrophobicContact CD1-CG2 4.39Å; Y400-T402 HydrophobicContact CE1-CG2 4.12Å; T402-L404 WeakPolarHBondContact CB-O 3.48Å; T402-L404 PolarHBondContact OG1-O 3.19Å
403	F	97.4	Very high	93.7	Very high	55 Å²	55	71.1 Å²	71.1	24%	0.241	34%	0.343	C	S	.	.	S	Bend	trans	-71.7	-38.7	170.8	-70.9	-85.1	0	0	0	110.6	E282 L286 Y400 G494 D495 G498 L499 R502	E282-F403 PolarHBondContact OE1-N 2.86Å; E282-F403 PolarHBondContact OE2-N 2.79Å; L286-F403 HydrophobicContact CD1-CE2 4.33Å; Y400-F403 WeakPolarHBondContact OH-CD2 2.81Å; F403-G494 CarbonylContact O-C 3.6Å; F403-G494 WeakPolarHBondContact O-CA 3.46Å; F403-D495 HydrophobicContact CD1-CB 4.14Å; F403-D495 PolarHBondContact O-N 2.98Å; F403-G498 VanDerWaalsContact CE1-C 3.44Å; F403-L499 HydrophobicContact CB-CB 3.97Å; F403-L499 HydrophobicContact CB-CD1 4.41Å; F403-L499 HydrophobicContact CD2-CB 4.27Å; F403-L499 HydrophobicContact CD2-CD1 3.76Å; F403-L499 HydrophobicContact CE2-CD1 4.41Å; F403-L499 HydrophobicContact CG-CB 4.02Å; F403-L499 HydrophobicContact CG-CD1 4.3Å; F403-R502 HydrophobicContact CE2-CB 4.33Å; F403-R502 HydrophobicContact CE2-CG 4.5Å; F403-R502 HydrophobicContact CZ-CB 4.24Å
404	L	96.1	Very high	94.2	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-100.6	153.6	-178.4	-51.7	-179.4	0	0	0	111.6	Q278 W281 E282 T402 W496 L499	Q278-L404 HydrophobicContact CG-CB 4.32Å; W281-L404 HydrophobicContact CZ3-CD1 4Å; E282-L404 PolarHBondContact OE1-N 3.12Å; T402-L404 WeakPolarHBondContact CB-O 3.48Å; T402-L404 PolarHBondContact OG1-O 3.19Å; L404-W496 HydrophobicContact CD1-CD2 4.18Å; L404-W496 HydrophobicContact CD1-CE3 3.88Å; L404-W496 HydrophobicContact CD1-CH2 3.41Å; L404-W496 VanDerWaalsContact CD1-CH2 3.41Å; L404-W496 HydrophobicContact CD1-CZ2 3.72Å; L404-W496 HydrophobicContact CD1-CZ3 3.49Å; L404-W496 VanDerWaalsContact CD1-CZ3 3.49Å; L404-W496 HydrophobicContact CD2-CD2 3.59Å; L404-W496 HydrophobicContact CD2-CE3 4Å; L404-W496 HydrophobicContact CD2-CG 3.91Å; L404-W496 HydrophobicContact CD2-CH2 4.49Å; L404-W496 HydrophobicContact CD2-CZ2 4.12Å; L404-W496 HydrophobicContact CD2-CZ3 4.43Å; L404-L499 HydrophobicContact CD1-CD2 3.91Å; L404-L499 HydrophobicContact CG-CD2 4.18Å
405	H	95.2	Very high	94.4	Very high	120 Å²	120	63.7 Å²	63.7	56%	0.556	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-77.4	149.9	173.8	-61.4	-31.4	0	0	0	111.1	L492 R493	H405-L492 WeakPolarHBondContact O-CD2 3.33Å; H405-R493 WeakPolarHBondContact CB-O 3.21Å; H405-R493 PolarHBondContact CD2-O 2.86Å; H405-R493 PolarHBondContact N-O 3.18Å
406	K	93.4	Very high	94.4	Very high	109 Å²	109	68.5 Å²	68.5	47%	0.474	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-69	141.6	174.1	65.8	-173.2	178.9	-176.1	0	112.1	Q278 K408 I411	Q278-K406 HydrophobicContact CB-CB 4.36Å; K406-K408 HydrophobicContact CG-CG 4.33Å; K406-K408 PolarHBondContact O-N 2.84Å; K406-I411 HydrophobicContact CB-CD1 4.17Å; K406-I411 HydrophobicContact CD-CD1 4.17Å; K406-I411 HydrophobicContact CG-CD1 4.31Å
407	D	94	Very high	94.2	Very high	40 Å²	40	68.4 Å²	68.4	21%	0.214	33%	0.326	C	S	.	.			trans	-73	94.2	171.5	-168.1	-23.4	0	0	0	111.2	I409 L410 I411 H434 L492	D407-I409 PolarHBondContact O-N 3.41Å; D407-I409 WeakPolarHBondContact OD1-CA 3.26Å; D407-I409 WeakPolarHBondContact OD1-CB 3.38Å; D407-I409 PolarHBondContact OD1-N 3.35Å; D407-L410 HydrophobicContact CB-CB 3.89Å; D407-L410 PolarHBondContact OD1-N 3.24Å; D407-I411 WeakPolarHBondContact O-CD1 3.47Å; D407-I411 WeakPolarHBondContact O-CG1 3.39Å; D407-I411 PolarHBondContact O-N 3.4Å; D407-I411 VanDerWaalsContact O-N 3.15Å; D407-H434 IonicContact OD2-CE1 3.77Å; D407-H434 PolarHBondContact OD2-CE1 3.22Å; D407-H434 IonicContact OD2-ND1 3.76Å; D407-L492 HydrophobicContact CB-CD2 3.99Å
408	K	94	Very high	93.9	Very high	141 Å²	141	70 Å²	70	61%	0.613	33%	0.334	S	S	*	.	H	α-helix	trans	-64.9	-26.1	177.7	-64	179.6	-175.7	173.5	0	112.6	K406 K412	K406-K408 HydrophobicContact CG-CG 4.33Å; K406-K408 PolarHBondContact O-N 2.84Å; K408-K412 WeakPolarHBondContact O-CB 3.38Å; K408-K412 WeakPolarHBondContact O-CG 3.26Å; K408-K412 PolarHBondContact O-N 3.01Å
409	I	94.7	Very high	93.6	Very high	136 Å²	136	75.5 Å²	75.5	70%	0.697	36%	0.36	S	S	*	.	H	α-helix	trans	-75.7	-49.3	-177.4	-60.4	174.2	0	0	0	109.1	D407 I411 K412 R413	D407-I409 PolarHBondContact O-N 3.41Å; D407-I409 WeakPolarHBondContact OD1-CA 3.26Å; D407-I409 WeakPolarHBondContact OD1-CB 3.38Å; D407-I409 PolarHBondContact OD1-N 3.35Å; I409-I411 PolarHBondContact O-N 2.85Å; I409-K412 PolarHBondContact O-N 3.34Å; I409-R413 WeakPolarHBondContact O-CB 3.25Å; I409-R413 PolarHBondContact O-N 3.27Å
410	L	94.8	Very high	93.4	Very high	12 Å²	12	79.2 Å²	79.2	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-55.8	-51.2	174.2	178	74.1	0	0	0	111.3	D407 K412 R413 L414 I430 H434	D407-L410 HydrophobicContact CB-CB 3.89Å; D407-L410 PolarHBondContact OD1-N 3.24Å; L410-K412 VanDerWaalsContact C-N 3.31Å; L410-K412 PolarHBondContact O-N 3.35Å; L410-R413 WeakPolarHBondContact O-CA 3.22Å; L410-R413 WeakPolarHBondContact O-CB 3.49Å; L410-R413 PolarHBondContact O-N 2.83Å; L410-L414 HydrophobicContact CD1-CD1 4.16Å; L410-L414 HydrophobicContact CD1-CG 4.35Å; L410-L414 HydrophobicContact CD2-CD1 4.41Å; L410-L414 HydrophobicContact CG-CD1 3.94Å; L410-L414 HydrophobicContact CG-CG 4.43Å; L410-L414 PolarHBondContact O-N 2.84Å; L410-I430 HydrophobicContact CD1-CG2 3.8Å; L410-H434 HydrophobicContact CD1-CB 4.04Å; L410-H434 HydrophobicContact CD2-CB 4.02Å; L410-H434 WeakPolarHBondContact CD2-CD2 3.22Å; L410-H434 VanDerWaalsContact CD2-CG 3.43Å
411	I	93.6	Very high	93.1	Very high	20 Å²	20	86.4 Å²	86.4	10%	0.103	39%	0.387	C	S	.	.	H	α-helix	trans	-56.5	-47.2	-178.8	-69.1	165.3	0	0	0	110.2	I275 K406 D407 I409 R413 L414 L415	I275-I411 HydrophobicContact CG2-CG2 3.88Å; K406-I411 HydrophobicContact CB-CD1 4.17Å; K406-I411 HydrophobicContact CD-CD1 4.17Å; K406-I411 HydrophobicContact CG-CD1 4.31Å; D407-I411 WeakPolarHBondContact O-CD1 3.47Å; D407-I411 WeakPolarHBondContact O-CG1 3.39Å; D407-I411 PolarHBondContact O-N 3.4Å; D407-I411 VanDerWaalsContact O-N 3.15Å; I409-I411 PolarHBondContact O-N 2.85Å; I411-R413 VanDerWaalsContact C-N 3.33Å; I411-R413 PolarHBondContact O-N 3.4Å; I411-L414 PolarHBondContact O-N 3.39Å; I411-L415 HydrophobicContact CG2-CD1 3.8Å; I411-L415 HydrophobicContact CG2-CG 4.33Å; I411-L415 WeakPolarHBondContact O-CB 3.31Å; I411-L415 VanDerWaalsContact O-CG 3.29Å; I411-L415 WeakPolarHBondContact O-CG 3.33Å; I411-L415 PolarHBondContact O-N 3.3Å
412	K	93.8	Very high	93	Very high	152 Å²	152	81 Å²	81	66%	0.661	36%	0.361	S	S	*	.	H	α-helix	trans	-60.9	-40.9	176.1	-76.3	175.4	179.5	-174.9	0	112.1	K408 I409 L410 K416	K408-K412 WeakPolarHBondContact O-CB 3.38Å; K408-K412 WeakPolarHBondContact O-CG 3.26Å; K408-K412 PolarHBondContact O-N 3.01Å; I409-K412 PolarHBondContact O-N 3.34Å; L410-K412 VanDerWaalsContact C-N 3.31Å; L410-K412 PolarHBondContact O-N 3.35Å; K412-K416 VanDerWaalsContact O-CB 3.23Å; K412-K416 WeakPolarHBondContact O-CB 3.49Å; K412-K416 PolarHBondContact O-N 3.34Å
413	R	94.9	Very high	92.8	Very high	140 Å²	140	82 Å²	82	53%	0.528	37%	0.369	S	S	.	.	H	α-helix	trans	-65	-38.1	179.4	-177.7	-179.3	177.1	-175.3	-0.5	112.7	I409 L410 I411 G417 R422	I409-R413 WeakPolarHBondContact O-CB 3.25Å; I409-R413 PolarHBondContact O-N 3.27Å; L410-R413 WeakPolarHBondContact O-CA 3.22Å; L410-R413 WeakPolarHBondContact O-CB 3.49Å; L410-R413 PolarHBondContact O-N 2.83Å; I411-R413 VanDerWaalsContact C-N 3.33Å; I411-R413 PolarHBondContact O-N 3.4Å; R413-G417 PolarHBondContact O-N 3.34Å; R413-G417 VanDerWaalsContact O-N 3.15Å; R413-R422 PolarHBondContact O-NH1 3Å
414	L	93.3	Very high	92.4	Very high	0 Å²	0	80.9 Å²	80.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-72.7	-48.9	176.2	-68.5	173	0	0	0	110.9	F267 L274 L277 L410 I411 K416 G417 I418 Q427 I430 L431	F267-L414 HydrophobicContact CD2-CD2 4.42Å; L274-L414 HydrophobicContact CD1-CB 4.42Å; L274-L414 HydrophobicContact CD2-CD1 4.17Å; L277-L414 HydrophobicContact CD1-CD1 4.48Å; L410-L414 HydrophobicContact CD1-CD1 4.16Å; L410-L414 HydrophobicContact CD1-CG 4.35Å; L410-L414 HydrophobicContact CD2-CD1 4.41Å; L410-L414 HydrophobicContact CG-CD1 3.94Å; L410-L414 HydrophobicContact CG-CG 4.43Å; L410-L414 PolarHBondContact O-N 2.84Å; I411-L414 PolarHBondContact O-N 3.39Å; L414-K416 VanDerWaalsContact C-N 3.31Å; L414-K416 PolarHBondContact O-N 2.98Å; L414-G417 VanDerWaalsContact O-CA 3.23Å; L414-G417 WeakPolarHBondContact O-CA 3.34Å; L414-G417 PolarHBondContact O-N 3.1Å; L414-I418 PolarHBondContact O-N 3.07Å; L414-I418 VanDerWaalsContact O-N 3.11Å; L414-Q427 HydrophobicContact CD2-CB 4.25Å; L414-Q427 PolarHBondContact O-OE1 2.97Å; L414-I430 HydrophobicContact CD2-CB 4.31Å; L414-I430 HydrophobicContact CD2-CG2 4.07Å; L414-L431 HydrophobicContact CD1-CD1 4.4Å
415	L	90.6	Very high	92.1	Very high	40 Å²	40	87.1 Å²	87.1	21%	0.209	40%	0.397	C	S	.	.	H	α-helix	trans	-59.7	-39.4	177.2	-67.7	175.1	0	0	0	112.6	L274 I411 G417 I418 Q419	L274-L415 HydrophobicContact CD1-CD2 4.37Å; I411-L415 HydrophobicContact CG2-CD1 3.8Å; I411-L415 HydrophobicContact CG2-CG 4.33Å; I411-L415 WeakPolarHBondContact O-CB 3.31Å; I411-L415 VanDerWaalsContact O-CG 3.29Å; I411-L415 WeakPolarHBondContact O-CG 3.33Å; I411-L415 PolarHBondContact O-N 3.3Å; L415-G417 PolarHBondContact O-N 3.34Å; L415-I418 HydrophobicContact CD2-CD1 4.18Å; L415-I418 WeakPolarHBondContact O-CB 3.23Å; L415-I418 PolarHBondContact O-N 3.47Å; L415-Q419 PolarHBondContact O-N 3.32Å
416	K	91.6	Very high	92	Very high	101 Å²	101	83.4 Å²	83.4	44%	0.439	39%	0.387	S	S	.	.	H	α-helix	trans	-66.4	-28.3	172	-166.7	178.7	-169.4	-177.9	0	112.3	K412 L414 Q419 R420	K412-K416 VanDerWaalsContact O-CB 3.23Å; K412-K416 WeakPolarHBondContact O-CB 3.49Å; K412-K416 PolarHBondContact O-N 3.34Å; L414-K416 VanDerWaalsContact C-N 3.31Å; L414-K416 PolarHBondContact O-N 2.98Å; K416-Q419 PolarHBondContact O-N 2.95Å; K416-R420 VanDerWaalsContact CE-CZ 3.48Å; K416-R420 VanDerWaalsContact CE-NH2 3.29Å; K416-R420 WeakPolarHBondContact O-CB 3.46Å; K416-R420 VanDerWaalsContact O-CG 3.3Å; K416-R420 WeakPolarHBondContact O-CG 3.43Å; K416-R420 PolarHBondContact O-N 2.94Å
417	G	91.2	Very high	92	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-45.2	172.5	0	0	0	0	0	112.1	R413 L414 L415 R420 K421 R422	R413-G417 PolarHBondContact O-N 3.34Å; R413-G417 VanDerWaalsContact O-N 3.15Å; L414-G417 VanDerWaalsContact O-CA 3.23Å; L414-G417 WeakPolarHBondContact O-CA 3.34Å; L414-G417 PolarHBondContact O-N 3.1Å; L415-G417 PolarHBondContact O-N 3.34Å; G417-R420 CarbonylContact O-C 3.59Å; G417-R420 PolarHBondContact O-N 3.21Å; G417-K421 PolarHBondContact O-N 2.95Å; G417-K421 VanDerWaalsContact O-N 3.14Å; G417-R422 WeakPolarHBondContact O-CB 3.3Å; G417-R422 PolarHBondContact O-N 3.34Å
418	I	87.9	Confident	92	Very high	33 Å²	33	76.7 Å²	76.7	17%	0.169	36%	0.356	C	S	.	.	H	α-helix	trans	-58.3	-50	174.7	-57.3	173.5	0	0	0	110.7	F267 L274 P376 L414 L415 R420 K421	F267-I418 HydrophobicContact CE1-CG1 4.45Å; F267-I418 HydrophobicContact CE2-CD1 4.42Å; F267-I418 HydrophobicContact CE2-CG1 4.36Å; F267-I418 HydrophobicContact CZ-CD1 3.78Å; F267-I418 HydrophobicContact CZ-CG1 3.58Å; L274-I418 HydrophobicContact CD1-CD1 4.36Å; P376-I418 HydrophobicContact CG-CD1 3.75Å; L414-I418 PolarHBondContact O-N 3.07Å; L414-I418 VanDerWaalsContact O-N 3.11Å; L415-I418 HydrophobicContact CD2-CD1 4.18Å; L415-I418 WeakPolarHBondContact O-CB 3.23Å; L415-I418 PolarHBondContact O-N 3.47Å; I418-R420 PolarHBondContact O-N 2.85Å; I418-K421 PolarHBondContact O-N 3.48Å
419	Q	87.9	Confident	92	Very high	124 Å²	124	72.3 Å²	72.3	58%	0.579	35%	0.346	S	S	*	.	H	α-helix	trans	-59.6	-34.3	179	-68.9	173.4	-11.9	0	0	112.6	L375 L415 K416 K421	L375-Q419 HydrophobicContact CD1-CG 4.07Å; L375-Q419 HydrophobicContact CD2-CG 4.46Å; L375-Q419 HydrophobicContact CG-CG 4.45Å; L415-Q419 PolarHBondContact O-N 3.32Å; K416-Q419 PolarHBondContact O-N 2.95Å; Q419-K421 VanDerWaalsContact C-N 3.29Å
420	R	90.3	Very high	92	Very high	166 Å²	166	67 Å²	67	63%	0.626	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	8.5	177.9	-69.7	-179.9	171.5	-165	-6.6	113.6	K416 G417 I418 R422	K416-R420 VanDerWaalsContact CE-CZ 3.48Å; K416-R420 VanDerWaalsContact CE-NH2 3.29Å; K416-R420 WeakPolarHBondContact O-CB 3.46Å; K416-R420 VanDerWaalsContact O-CG 3.3Å; K416-R420 WeakPolarHBondContact O-CG 3.43Å; K416-R420 PolarHBondContact O-N 2.94Å; G417-R420 CarbonylContact O-C 3.59Å; G417-R420 PolarHBondContact O-N 3.21Å; I418-R420 PolarHBondContact O-N 2.85Å; R420-R422 PolarHBondContact O-N 2.94Å
421	K	88.7	Confident	92.1	Very high	189 Å²	189	66.4 Å²	66.4	82%	0.822	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	38.9	-176.4	-58.8	-178	177.4	-178.9	0	112.8	G417 I418 Q419	G417-K421 PolarHBondContact O-N 2.95Å; G417-K421 VanDerWaalsContact O-N 3.14Å; I418-K421 PolarHBondContact O-N 3.48Å; Q419-K421 VanDerWaalsContact C-N 3.29Å
422	R	92.4	Very high	92.1	Very high	66 Å²	66	68.4 Å²	68.4	25%	0.249	32%	0.322	C	S	.	.			trans	-63.2	133.7	175.6	-172.7	-175.3	-59.5	127.8	2.6	108.9	R413 G417 R420 A426 Q427	R413-R422 PolarHBondContact O-NH1 3Å; G417-R422 WeakPolarHBondContact O-CB 3.3Å; G417-R422 PolarHBondContact O-N 3.34Å; R420-R422 PolarHBondContact O-N 2.94Å; R422-A426 HydrophobicContact CG-CB 3.9Å; R422-Q427 HydrophobicContact CB-CG 4.14Å; R422-Q427 HydrophobicContact CG-CG 4.08Å; R422-Q427 PolarHBondContact O-NE2 2.75Å
423	P	92.1	Very high	92.1	Very high	79 Å²	79	68.9 Å²	68.9	51%	0.513	32%	0.32	S	S	.	.			trans	-51.3	147	175.4	-26.4	33.8	0	0	0	112.5	E425 A426 Q427	P423-E425 VanDerWaalsContact C-N 3.27Å; P423-E425 VanDerWaalsContact CB-OE2 3.23Å; P423-E425 WeakPolarHBondContact CB-OE2 3.31Å; P423-E425 PolarHBondContact O-N 3.32Å; P423-A426 PolarHBondContact O-N 2.85Å; P423-Q427 PolarHBondContact O-N 3.11Å
424	S	90.3	Very high	92.1	Very high	30 Å²	30	63.4 Å²	63.4	21%	0.21	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-38.4	-175.5	-161.5	0	0	0	0	111.2	D265 A426 Q427 S428	D265-S424 PolarHBondContact OD1-OG 3.31Å; D265-S424 VanDerWaalsContact OD1-OG 3.08Å; D265-S424 WeakPolarHBondContact OD2-CB 3.4Å; D265-S424 PolarHBondContact OD2-OG 3.29Å; S424-A426 VanDerWaalsContact C-N 3.34Å; S424-A426 PolarHBondContact O-N 3.42Å; S424-Q427 CarbonylContact O-C 3.45Å; S424-Q427 PolarHBondContact O-N 3.43Å; S424-S428 WeakPolarHBondContact O-CB 3.47Å; S424-S428 PolarHBondContact O-N 3.17Å
425	E	90.3	Very high	92.3	Very high	132 Å²	132	63.8 Å²	63.8	62%	0.617	30%	0.302	S	S	*	.	H	α-helix	trans	-59	-44.9	178.8	-55.5	73	-159.4	0	0	110.9	P423 Q427 S428 A429	P423-E425 VanDerWaalsContact C-N 3.27Å; P423-E425 VanDerWaalsContact CB-OE2 3.23Å; P423-E425 WeakPolarHBondContact CB-OE2 3.31Å; P423-E425 PolarHBondContact O-N 3.32Å; E425-Q427 VanDerWaalsContact C-N 3.34Å; E425-Q427 PolarHBondContact O-N 2.63Å; E425-S428 PolarHBondContact O-N 3.03Å; E425-A429 WeakPolarHBondContact O-CB 3.38Å; E425-A429 PolarHBondContact O-N 3.46Å
426	A	92.2	Very high	92.5	Very high	41 Å²	41	62.9 Å²	62.9	34%	0.339	30%	0.298	S	S	.	.	H	α-helix	trans	-69	-32.6	177.8	0	0	0	0	0	112.2	R422 P423 S424 I430	R422-A426 HydrophobicContact CG-CB 3.9Å; P423-A426 PolarHBondContact O-N 2.85Å; S424-A426 VanDerWaalsContact C-N 3.34Å; S424-A426 PolarHBondContact O-N 3.42Å; A426-I430 WeakPolarHBondContact O-CD1 3.29Å; A426-I430 WeakPolarHBondContact O-CG1 3.47Å; A426-I430 PolarHBondContact O-N 3.39Å
427	Q	93.9	Very high	92.6	Very high	5 Å²	5	62 Å²	62	2%	0.023	30%	0.295	C	S	.	.	H	α-helix	trans	-73.2	-39	173.3	-66.6	-163.4	80.2	0	0	112	F267 L414 R422 P423 S424 E425 I430 L431	F267-Q427 HydrophobicContact CB-CB 3.84Å; F267-Q427 HydrophobicContact CD1-CB 3.94Å; F267-Q427 HydrophobicContact CD2-CB 3.51Å; F267-Q427 HydrophobicContact CD2-CG 4.33Å; F267-Q427 HydrophobicContact CE1-CB 4.46Å; F267-Q427 HydrophobicContact CE2-CB 4.06Å; F267-Q427 HydrophobicContact CE2-CG 4.42Å; F267-Q427 HydrophobicContact CG-CB 3.44Å; F267-Q427 VanDerWaalsContact CG-CB 3.44Å; F267-Q427 HydrophobicContact CG-CG 4.41Å; F267-Q427 VanDerWaalsContact CZ-OE1 3.3Å; L414-Q427 HydrophobicContact CD2-CB 4.25Å; L414-Q427 PolarHBondContact O-OE1 2.97Å; R422-Q427 HydrophobicContact CB-CG 4.14Å; R422-Q427 HydrophobicContact CG-CG 4.08Å; R422-Q427 PolarHBondContact O-NE2 2.75Å; P423-Q427 PolarHBondContact O-N 3.11Å; S424-Q427 CarbonylContact O-C 3.45Å; S424-Q427 PolarHBondContact O-N 3.43Å; E425-Q427 VanDerWaalsContact C-N 3.34Å; E425-Q427 PolarHBondContact O-N 2.63Å; Q427-I430 PolarHBondContact O-N 2.92Å; Q427-L431 PolarHBondContact O-N 3.41Å
428	S	94.3	Very high	92.9	Very high	3 Å²	3	62.2 Å²	62.2	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-42.2	175.2	-170.3	0	0	0	0	110.9	L264 L266 S424 E425 I430 L431 R432	L264-S428 PolarHBondContact O-OG 2.9Å; L266-S428 PolarHBondContact N-OG 3.5Å; S424-S428 WeakPolarHBondContact O-CB 3.47Å; S424-S428 PolarHBondContact O-N 3.17Å; E425-S428 PolarHBondContact O-N 3.03Å; S428-I430 PolarHBondContact O-N 3.39Å; S428-L431 PolarHBondContact O-N 3.34Å; S428-R432 VanDerWaalsContact O-CB 3.31Å; S428-R432 WeakPolarHBondContact O-CB 3.34Å; S428-R432 PolarHBondContact O-N 2.74Å; S428-R432 PolarHBondContact OG-NH2 2.93Å
429	A	93.4	Very high	93.3	Very high	49 Å²	49	60.6 Å²	60.6	41%	0.405	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-41.9	174.5	0	0	0	0	0	113.1	E425 L431 R433	E425-A429 WeakPolarHBondContact O-CB 3.38Å; E425-A429 PolarHBondContact O-N 3.46Å; A429-L431 VanDerWaalsContact C-N 3.33Å; A429-R433 WeakPolarHBondContact O-CB 3.34Å; A429-R433 PolarHBondContact O-N 3.12Å
430	I	95.1	Very high	93.6	Very high	25 Å²	25	57.5 Å²	57.5	13%	0.128	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-44.4	174.9	-68	164.8	0	0	0	110.4	L410 L414 A426 Q427 S428 H434	L410-I430 HydrophobicContact CD1-CG2 3.8Å; L414-I430 HydrophobicContact CD2-CB 4.31Å; L414-I430 HydrophobicContact CD2-CG2 4.07Å; A426-I430 WeakPolarHBondContact O-CD1 3.29Å; A426-I430 WeakPolarHBondContact O-CG1 3.47Å; A426-I430 PolarHBondContact O-N 3.39Å; Q427-I430 PolarHBondContact O-N 2.92Å; S428-I430 PolarHBondContact O-N 3.39Å; I430-H434 PolarHBondContact O-N 3.28Å; I430-H434 VanDerWaalsContact O-N 3.12Å
431	L	95.5	Very high	93.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-45.1	-178.1	-177.7	52.7	0	0	0	112	L266 F270 L277 L414 Q427 S428 A429 R433 H434 L435	L266-L431 HydrophobicContact CB-CD2 4.05Å; L266-L431 HydrophobicContact CB-CG 4.47Å; F270-L431 HydrophobicContact CB-CD2 4.25Å; F270-L431 HydrophobicContact CD2-CD2 3.71Å; F270-L431 HydrophobicContact CG-CD2 4.47Å; L277-L431 HydrophobicContact CD1-CD1 3.47Å; L277-L431 VanDerWaalsContact CD1-CD1 3.47Å; L277-L431 HydrophobicContact CD1-CD2 4.47Å; L277-L431 HydrophobicContact CD2-CD1 4.11Å; L277-L431 HydrophobicContact CD2-CD2 4.41Å; L277-L431 HydrophobicContact CG-CD1 4.42Å; L414-L431 HydrophobicContact CD1-CD1 4.4Å; Q427-L431 PolarHBondContact O-N 3.41Å; S428-L431 PolarHBondContact O-N 3.34Å; A429-L431 VanDerWaalsContact C-N 3.33Å; L431-R433 VanDerWaalsContact C-N 3.35Å; L431-R433 PolarHBondContact O-N 3.2Å; L431-H434 PolarHBondContact O-N 2.81Å; L431-L435 HydrophobicContact CD1-CD1 4.07Å; L431-L435 HydrophobicContact CD1-CG 4.22Å; L431-L435 HydrophobicContact CG-CD1 4.05Å; L431-L435 WeakPolarHBondContact O-CG 3.4Å; L431-L435 PolarHBondContact O-N 3.01Å
432	R	94.4	Very high	94.3	Very high	61 Å²	61	40.9 Å²	40.9	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-59.1	-46.5	176.9	-169	175.7	-57.8	115.9	2.8	111.3	E263 L264 L266 S428 H434 L435 L436	E263-R432 VanDerWaalsContact CD-CZ 3.49Å; E263-R432 VanDerWaalsContact OE1-CD 3.26Å; E263-R432 WeakPolarHBondContact OE1-CD 3.47Å; E263-R432 IonicContact OE1-CZ 3.62Å; E263-R432 IonicContact OE1-NE 3.7Å; E263-R432 IonicContact OE2-CZ 3.31Å; E263-R432 IonicContact OE2-NE 3.82Å; E263-R432 PolarHBondContact OE2-NE 3.04Å; E263-R432 IonicContact OE2-NH1 3.99Å; E263-R432 PolarHBondContact OE2-NH1 3.05Å; E263-R432 IonicContact OE2-NH2 3.64Å; E263-R432 PolarHBondContact OE2-NH2 2.82Å; L264-R432 PolarHBondContact O-NH2 3.25Å; L266-R432 HydrophobicContact CD1-CB 3.94Å; L266-R432 HydrophobicContact CD1-CG 4.22Å; S428-R432 VanDerWaalsContact O-CB 3.31Å; S428-R432 WeakPolarHBondContact O-CB 3.34Å; S428-R432 PolarHBondContact O-N 2.74Å; S428-R432 PolarHBondContact OG-NH2 2.93Å; R432-H434 VanDerWaalsContact C-N 3.34Å; R432-H434 PolarHBondContact O-N 3.46Å; R432-L435 PolarHBondContact O-N 3.29Å; R432-L436 WeakPolarHBondContact O-CB 3.18Å; R432-L436 PolarHBondContact O-N 3.2Å
433	R	94.4	Very high	94.4	Very high	162 Å²	162	38.1 Å²	38.1	61%	0.611	20%	0.197	S	C	*	.	H	α-helix	trans	-58.8	-45.3	176.3	-179.6	173.2	174.6	162.7	3.6	111.9	A429 L431 L436 E437	A429-R433 WeakPolarHBondContact O-CB 3.34Å; A429-R433 PolarHBondContact O-N 3.12Å; L431-R433 VanDerWaalsContact C-N 3.35Å; L431-R433 PolarHBondContact O-N 3.2Å; R433-L436 PolarHBondContact O-N 3.01Å; R433-E437 HydrophobicContact CG-CG 4.37Å; R433-E437 WeakPolarHBondContact CG-OE1 3.42Å; R433-E437 IonicContact CZ-OE1 3.5Å; R433-E437 IonicContact NE-OE1 2.76Å; R433-E437 PolarHBondContact NE-OE1 3.27Å; R433-E437 IonicContact NH2-OE1 3.32Å; R433-E437 PolarHBondContact NH2-OE1 3.5Å; R433-E437 WeakPolarHBondContact O-CB 3.3Å; R433-E437 VanDerWaalsContact O-CG 3.29Å; R433-E437 WeakPolarHBondContact O-CG 3.27Å; R433-E437 PolarHBondContact O-N 2.79Å
434	H	95.3	Very high	94.6	Very high	26 Å²	26	36.6 Å²	36.6	12%	0.12	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-47.9	177.9	175	78.9	0	0	0	112.6	D407 L410 I430 L431 R432 L436 E437 L438	D407-H434 IonicContact OD2-CE1 3.77Å; D407-H434 PolarHBondContact OD2-CE1 3.22Å; D407-H434 IonicContact OD2-ND1 3.76Å; L410-H434 HydrophobicContact CD1-CB 4.04Å; L410-H434 HydrophobicContact CD2-CB 4.02Å; L410-H434 WeakPolarHBondContact CD2-CD2 3.22Å; L410-H434 VanDerWaalsContact CD2-CG 3.43Å; I430-H434 PolarHBondContact O-N 3.28Å; I430-H434 VanDerWaalsContact O-N 3.12Å; L431-H434 PolarHBondContact O-N 2.81Å; R432-H434 VanDerWaalsContact C-N 3.34Å; R432-H434 PolarHBondContact O-N 3.46Å; H434-L436 VanDerWaalsContact C-N 3.31Å; H434-L436 PolarHBondContact O-N 3.25Å; H434-E437 PolarHBondContact O-N 3.11Å; H434-L438 VanDerWaalsContact O-CB 3.29Å; H434-L438 WeakPolarHBondContact O-CB 3.25Å; H434-L438 PolarHBondContact O-N 3.31Å
435	L	96.4	Very high	94.8	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-38.6	179.6	-71.6	170	0	0	0	111.9	L266 W281 L431 R432 T439	L266-L435 HydrophobicContact CD1-CD1 4.28Å; W281-L435 HydrophobicContact CB-CD2 4.37Å; W281-L435 HydrophobicContact CG-CD2 4.38Å; L431-L435 HydrophobicContact CD1-CD1 4.07Å; L431-L435 HydrophobicContact CD1-CG 4.22Å; L431-L435 HydrophobicContact CG-CD1 4.05Å; L431-L435 WeakPolarHBondContact O-CG 3.4Å; L431-L435 PolarHBondContact O-N 3.01Å; R432-L435 PolarHBondContact O-N 3.29Å; L435-T439 WeakPolarHBondContact O-CB 3.32Å; L435-T439 PolarHBondContact O-N 3.33Å; L435-T439 PolarHBondContact O-OG1 3.15Å
436	L	94.8	Very high	95.1	Very high	22 Å²	22	29 Å²	29	12%	0.115	15%	0.145	C	C	.	.	H	α-helix	trans	-62.1	-53	173.8	172.9	63.1	0	0	0	111.6	P238 R432 R433 H434 L438 T439 Q440	P238-L436 HydrophobicContact CB-CD1 3.91Å; P238-L436 HydrophobicContact CB-CD2 3.62Å; P238-L436 HydrophobicContact CB-CG 4.27Å; R432-L436 WeakPolarHBondContact O-CB 3.18Å; R432-L436 PolarHBondContact O-N 3.2Å; R433-L436 PolarHBondContact O-N 3.01Å; H434-L436 VanDerWaalsContact C-N 3.31Å; H434-L436 PolarHBondContact O-N 3.25Å; L436-L438 VanDerWaalsContact C-N 3.3Å; L436-L438 PolarHBondContact O-N 3.3Å; L436-T439 PolarHBondContact O-N 3.43Å; L436-Q440 HydrophobicContact CD1-CG 4.05Å; L436-Q440 WeakPolarHBondContact O-CB 3.31Å; L436-Q440 VanDerWaalsContact O-CG 3.3Å; L436-Q440 WeakPolarHBondContact O-CG 3.43Å; L436-Q440 PolarHBondContact O-N 3.2Å
437	E	94.6	Very high	95.2	Very high	83 Å²	83	30.7 Å²	30.7	39%	0.388	15%	0.146	S	C	.	.	H	α-helix	trans	-60.9	-39.2	179.8	-73.9	171	176.9	0	0	111.7	R433 H434 S441	R433-E437 HydrophobicContact CG-CG 4.37Å; R433-E437 WeakPolarHBondContact CG-OE1 3.42Å; R433-E437 IonicContact CZ-OE1 3.5Å; R433-E437 IonicContact NE-OE1 2.76Å; R433-E437 PolarHBondContact NE-OE1 3.27Å; R433-E437 IonicContact NH2-OE1 3.32Å; R433-E437 PolarHBondContact NH2-OE1 3.5Å; R433-E437 WeakPolarHBondContact O-CB 3.3Å; R433-E437 VanDerWaalsContact O-CG 3.29Å; R433-E437 WeakPolarHBondContact O-CG 3.27Å; R433-E437 PolarHBondContact O-N 2.79Å; H434-E437 PolarHBondContact O-N 3.11Å; E437-S441 WeakPolarHBondContact O-CB 3.26Å; E437-S441 PolarHBondContact O-N 3.05Å; E437-S441 PolarHBondContact O-OG 2.83Å
438	L	96.2	Very high	95.2	Very high	3 Å²	3	37 Å²	37	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-50.3	175.6	174.8	51	0	0	0	111.5	W281 H434 L436 S441 F442 L492 W496	W281-L438 HydrophobicContact CD2-CD2 3.68Å; W281-L438 HydrophobicContact CD2-CG 4.13Å; W281-L438 HydrophobicContact CE3-CD2 3.93Å; W281-L438 HydrophobicContact CE3-CG 4.42Å; W281-L438 HydrophobicContact CG-CD2 4.09Å; W281-L438 HydrophobicContact CH2-CD1 4.05Å; W281-L438 HydrophobicContact CH2-CD2 4.38Å; W281-L438 HydrophobicContact CH2-CG 3.99Å; W281-L438 HydrophobicContact CZ2-CD1 4.2Å; W281-L438 HydrophobicContact CZ2-CD2 4.19Å; W281-L438 HydrophobicContact CZ2-CG 3.69Å; W281-L438 HydrophobicContact CZ3-CD1 4.41Å; W281-L438 HydrophobicContact CZ3-CD2 4.27Å; W281-L438 HydrophobicContact CZ3-CG 4.36Å; H434-L438 VanDerWaalsContact O-CB 3.29Å; H434-L438 WeakPolarHBondContact O-CB 3.25Å; H434-L438 PolarHBondContact O-N 3.31Å; L436-L438 VanDerWaalsContact C-N 3.3Å; L436-L438 PolarHBondContact O-N 3.3Å; L438-S441 PolarHBondContact O-N 2.83Å; L438-F442 PolarHBondContact O-N 2.87Å; L438-F442 VanDerWaalsContact O-N 3.09Å; L438-L492 HydrophobicContact CD1-CD1 3.7Å; L438-L492 HydrophobicContact CD2-CD1 4.05Å; L438-L492 HydrophobicContact CG-CD1 4.43Å; L438-W496 HydrophobicContact CD1-CH2 3.78Å
439	T	96.9	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-42.6	-179.8	-53.5	0	0	0	0	111.3	W281 I311 S312 L314 L435 L436 S441 F442 I443	W281-T439 PolarHBondContact NE1-OG1 2.79Å; I311-T439 WeakPolarHBondContact O-CG2 3.33Å; S312-T439 WeakPolarHBondContact O-CB 3.23Å; L314-T439 HydrophobicContact CB-CG2 4.15Å; L435-T439 WeakPolarHBondContact O-CB 3.32Å; L435-T439 PolarHBondContact O-N 3.33Å; L435-T439 PolarHBondContact O-OG1 3.15Å; L436-T439 PolarHBondContact O-N 3.43Å; T439-S441 VanDerWaalsContact C-N 3.34Å; T439-S441 PolarHBondContact O-N 2.74Å; T439-F442 WeakPolarHBondContact O-CB 3.29Å; T439-F442 PolarHBondContact O-N 3.24Å; T439-F442 VanDerWaalsContact O-N 3.15Å; T439-I443 HydrophobicContact CG2-CD1 3.66Å; T439-I443 HydrophobicContact CG2-CG1 4.36Å; T439-I443 WeakPolarHBondContact O-CG1 3.41Å; T439-I443 PolarHBondContact O-N 3.39Å
440	Q	94.8	Very high	95.3	Very high	59 Å²	59	35.3 Å²	35.3	28%	0.276	15%	0.153	S	C	.	.	H	α-helix	trans	-59.6	-45	174.7	-75.6	178.6	-32.9	0	0	111.5	P313 L436 F442 I443 I444	P313-Q440 HydrophobicContact CG-CG 4.28Å; L436-Q440 HydrophobicContact CD1-CG 4.05Å; L436-Q440 WeakPolarHBondContact O-CB 3.31Å; L436-Q440 VanDerWaalsContact O-CG 3.3Å; L436-Q440 WeakPolarHBondContact O-CG 3.43Å; L436-Q440 PolarHBondContact O-N 3.2Å; Q440-F442 PolarHBondContact O-N 2.99Å; Q440-I443 PolarHBondContact O-N 3.41Å; Q440-I444 HydrophobicContact CB-CD1 4.43Å; Q440-I444 WeakPolarHBondContact O-CB 3.42Å; Q440-I444 WeakPolarHBondContact O-CD1 3.43Å; Q440-I444 WeakPolarHBondContact O-CG1 3.31Å; Q440-I444 PolarHBondContact O-N 3.16Å
441	S	95.6	Very high	95.2	Very high	6 Å²	6	37 Å²	37	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-35.1	176.6	-64.7	0	0	0	0	112.8	E437 L438 T439 P445 P486 T489	E437-S441 WeakPolarHBondContact O-CB 3.26Å; E437-S441 PolarHBondContact O-N 3.05Å; E437-S441 PolarHBondContact O-OG 2.83Å; L438-S441 PolarHBondContact O-N 2.83Å; T439-S441 VanDerWaalsContact C-N 3.34Å; T439-S441 PolarHBondContact O-N 2.74Å; S441-P445 VanDerWaalsContact O-CD 3.31Å; S441-P445 WeakPolarHBondContact O-CD 3.23Å; S441-P486 WeakPolarHBondContact O-CB 3.41Å; S441-T489 VanDerWaalsContact CA-OG1 3.31Å; S441-T489 WeakPolarHBondContact CA-OG1 3.26Å; S441-T489 WeakPolarHBondContact CB-OG1 3.35Å; S441-T489 PolarHBondContact OG-O 3.24Å; S441-T489 PolarHBondContact OG-OG1 3.08Å
442	F	96.8	Very high	95.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-72	-35.1	174.1	179.7	-96.6	0	0	0	112.9	W281 L285 L438 T439 Q440 L446 W496 L499 Y500 F503	W281-F442 HydrophobicContact CH2-CB 4.33Å; W281-F442 HydrophobicContact CH2-CG 4.43Å; W281-F442 HydrophobicContact CZ2-CB 4.39Å; L285-F442 HydrophobicContact CD1-CD1 3.93Å; L285-F442 HydrophobicContact CD1-CE1 3.82Å; L285-F442 HydrophobicContact CD2-CD1 4.13Å; L285-F442 HydrophobicContact CD2-CD2 4.23Å; L285-F442 HydrophobicContact CD2-CE1 3.91Å; L285-F442 HydrophobicContact CD2-CE2 4Å; L285-F442 HydrophobicContact CD2-CG 4.29Å; L285-F442 HydrophobicContact CD2-CZ 3.84Å; L285-F442 HydrophobicContact CG-CE1 4.25Å; L285-F442 HydrophobicContact CG-CZ 4.49Å; L438-F442 PolarHBondContact O-N 2.87Å; L438-F442 VanDerWaalsContact O-N 3.09Å; T439-F442 WeakPolarHBondContact O-CB 3.29Å; T439-F442 PolarHBondContact O-N 3.24Å; T439-F442 VanDerWaalsContact O-N 3.15Å; Q440-F442 PolarHBondContact O-N 2.99Å; F442-L446 HydrophobicContact CE1-CD1 4.15Å; F442-W496 HydrophobicContact CB-CZ3 4.29Å; F442-W496 HydrophobicContact CD2-CE3 4.21Å; F442-W496 AromaticContact CD2-CZ3 4Å; F442-W496 HydrophobicContact CD2-CZ3 4Å; F442-L499 HydrophobicContact CD2-CD2 4.1Å; F442-L499 HydrophobicContact CE2-CD2 3.94Å; F442-L499 HydrophobicContact CE2-CG 4Å; F442-Y500 HydrophobicContact CD1-CE1 4.41Å; F442-Y500 HydrophobicContact CD2-CD1 4.35Å; F442-Y500 AromaticContact CD2-CE1 3.75Å; F442-Y500 HydrophobicContact CD2-CE1 3.75Å; F442-Y500 HydrophobicContact CD2-CE2 4.38Å; F442-Y500 AromaticContact CD2-CZ 3.78Å; F442-Y500 HydrophobicContact CE1-CD1 4.4Å; F442-Y500 HydrophobicContact CE1-CE1 4.03Å; F442-Y500 AromaticContact CE2-CD1 3.47Å; F442-Y500 HydrophobicContact CE2-CD1 3.47Å; F442-Y500 VanDerWaalsContact CE2-CD1 3.47Å; F442-Y500 HydrophobicContact CE2-CD2 4.33Å; F442-Y500 AromaticContact CE2-CE1 3.3Å; F442-Y500 HydrophobicContact CE2-CE1 3.3Å; F442-Y500 HydrophobicContact CE2-CE2 4.22Å; F442-Y500 AromaticContact CE2-CG 3.99Å; F442-Y500 HydrophobicContact CE2-CG 3.99Å; F442-Y500 AromaticContact CE2-CZ 3.73Å; F442-Y500 HydrophobicContact CG-CE1 4.29Å; F442-Y500 AromaticContact CZ-CD1 3.5Å; F442-Y500 HydrophobicContact CZ-CD1 3.5Å; F442-Y500 AromaticContact CZ-CE1 3.46Å; F442-Y500 HydrophobicContact CZ-CE1 3.46Å; F442-Y500 VanDerWaalsContact CZ-CE1 3.46Å; F442-Y500 HydrophobicContact CZ-CG 4.36Å; F442-Y500 PolarHBondContact O-OH 2.9Å; F442-F503 AromaticContact CE1-CD1 3.75Å; F442-F503 HydrophobicContact CE1-CD1 3.75Å; F442-F503 HydrophobicContact CE1-CD2 4.2Å; F442-F503 AromaticContact CE1-CE1 3.82Å; F442-F503 HydrophobicContact CE1-CE1 3.82Å; F442-F503 HydrophobicContact CE1-CE2 4.29Å; F442-F503 AromaticContact CE1-CG 3.94Å; F442-F503 HydrophobicContact CE1-CG 3.94Å; F442-F503 HydrophobicContact CE1-CZ 4.11Å; F442-F503 HydrophobicContact CZ-CB 3.87Å; F442-F503 AromaticContact CZ-CD1 3.65Å; F442-F503 HydrophobicContact CZ-CD1 3.65Å; F442-F503 HydrophobicContact CZ-CD2 4.24Å; F442-F503 HydrophobicContact CZ-CE1 4.21Å; F442-F503 AromaticContact CZ-CG 3.66Å; F442-F503 HydrophobicContact CZ-CG 3.66Å
443	I	95.4	Very high	95.1	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.036	18%	0.179	C	C	.	.	H	α-helix	trans	-85.6	-32.7	-175	-66.7	169.5	0	0	0	112.9	P313 L314 T439 Q440 L446 E447	P313-I443 HydrophobicContact CG-CD1 4.44Å; L314-I443 HydrophobicContact CB-CD1 3.87Å; L314-I443 HydrophobicContact CD1-CD1 3.92Å; L314-I443 HydrophobicContact CD1-CG1 4.45Å; L314-I443 HydrophobicContact CG-CD1 4.37Å; T439-I443 HydrophobicContact CG2-CD1 3.66Å; T439-I443 HydrophobicContact CG2-CG1 4.36Å; T439-I443 WeakPolarHBondContact O-CG1 3.41Å; T439-I443 PolarHBondContact O-N 3.39Å; Q440-I443 PolarHBondContact O-N 3.41Å; I443-L446 WeakPolarHBondContact O-CA 3.48Å; I443-L446 VanDerWaalsContact O-CB 3.3Å; I443-L446 WeakPolarHBondContact O-CB 3.34Å; I443-L446 PolarHBondContact O-N 3.4Å; I443-E447 HydrophobicContact CG2-CG 3.65Å; I443-E447 PolarHBondContact O-N 3Å
444	I	95.3	Very high	95.1	Very high	48 Å²	48	31.8 Å²	31.8	25%	0.246	16%	0.163	C	C	.	.	H	α-helix	trans	-52	-46.9	-174.8	-76.2	160.4	0	0	0	112.9	Q440 L446 E447 R448 T489	Q440-I444 HydrophobicContact CB-CD1 4.43Å; Q440-I444 WeakPolarHBondContact O-CB 3.42Å; Q440-I444 WeakPolarHBondContact O-CD1 3.43Å; Q440-I444 WeakPolarHBondContact O-CG1 3.31Å; Q440-I444 PolarHBondContact O-N 3.16Å; I444-L446 VanDerWaalsContact C-N 3.31Å; I444-L446 PolarHBondContact O-N 3.33Å; I444-E447 PolarHBondContact O-N 3.49Å; I444-R448 WeakPolarHBondContact O-CG 3.37Å; I444-R448 PolarHBondContact O-N 2.86Å; I444-T489 HydrophobicContact CD1-CG2 4.35Å
445	P	96	Very high	94.8	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.013	17%	0.165	C	C	.	.	H	α-helix	trans	-61.8	-39.8	177.4	-23.6	35	0	0	0	112.4	S441 R448 Y449 F477 L481 T484 P486	S441-P445 VanDerWaalsContact O-CD 3.31Å; S441-P445 WeakPolarHBondContact O-CD 3.23Å; P445-R448 PolarHBondContact O-N 2.65Å; P445-Y449 PolarHBondContact O-N 2.99Å; P445-F477 HydrophobicContact CB-CE2 4.08Å; P445-F477 HydrophobicContact CB-CZ 4.16Å; P445-L481 HydrophobicContact CB-CD2 4.11Å; P445-T484 WeakPolarHBondContact CG-O 3.38Å; P445-P486 HydrophobicContact CG-CG 4.08Å
446	L	95.6	Very high	94.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-44.5	177.7	-71.5	169.5	0	0	0	111.4	F442 I443 I444 Y449 M450 F472 F477 Y500 F503 F504 W512	F442-L446 HydrophobicContact CE1-CD1 4.15Å; I443-L446 WeakPolarHBondContact O-CA 3.48Å; I443-L446 VanDerWaalsContact O-CB 3.3Å; I443-L446 WeakPolarHBondContact O-CB 3.34Å; I443-L446 PolarHBondContact O-N 3.4Å; I444-L446 VanDerWaalsContact C-N 3.31Å; I444-L446 PolarHBondContact O-N 3.33Å; L446-Y449 PolarHBondContact O-N 3.22Å; L446-M450 WeakPolarHBondContact O-CB 3.26Å; L446-M450 VanDerWaalsContact O-CG 3.28Å; L446-M450 WeakPolarHBondContact O-CG 3.35Å; L446-M450 PolarHBondContact O-N 3.4Å; L446-F472 HydrophobicContact CD2-CE2 4.31Å; L446-F472 HydrophobicContact CD2-CZ 4Å; L446-F477 HydrophobicContact CD2-CD1 4.44Å; L446-F477 HydrophobicContact CD2-CD2 4.25Å; L446-F477 HydrophobicContact CD2-CE1 3.88Å; L446-F477 HydrophobicContact CD2-CE2 3.69Å; L446-F477 HydrophobicContact CD2-CZ 3.46Å; L446-F477 VanDerWaalsContact CD2-CZ 3.46Å; L446-F477 HydrophobicContact CG-CE2 4.13Å; L446-F477 HydrophobicContact CG-CZ 3.84Å; L446-Y500 HydrophobicContact CD1-CD1 4.41Å; L446-Y500 HydrophobicContact CD1-CE1 3.85Å; L446-Y500 HydrophobicContact CD2-CD1 4.41Å; L446-Y500 HydrophobicContact CD2-CE1 4.23Å; L446-Y500 HydrophobicContact CG-CD1 4.45Å; L446-Y500 HydrophobicContact CG-CE1 3.82Å; L446-F503 HydrophobicContact CD1-CD1 4.33Å; L446-F503 HydrophobicContact CD1-CE1 3.84Å; L446-F504 HydrophobicContact CD2-CE1 3.75Å; L446-F504 HydrophobicContact CD2-CZ 4.11Å; L446-W512 HydrophobicContact CB-CH2 3.57Å; L446-W512 HydrophobicContact CB-CZ2 3.68Å; L446-W512 HydrophobicContact CB-CZ3 4.42Å; L446-W512 HydrophobicContact CD1-CH2 4.47Å; L446-W512 HydrophobicContact CD2-CH2 4.34Å; L446-W512 HydrophobicContact CG-CH2 4.35Å
447	E	94.4	Very high	93.7	Very high	75 Å²	75	41.8 Å²	41.8	35%	0.35	21%	0.214	S	C	.	.	H	α-helix	trans	-64.1	-41.8	177.4	-74.4	-178.4	157.6	0	0	112.1	I443 I444 M450 A451 W512 R516	I443-E447 HydrophobicContact CG2-CG 3.65Å; I443-E447 PolarHBondContact O-N 3Å; I444-E447 PolarHBondContact O-N 3.49Å; E447-M450 PolarHBondContact O-N 2.77Å; E447-A451 WeakPolarHBondContact O-CB 3.47Å; E447-A451 PolarHBondContact O-N 3.23Å; E447-W512 HydrophobicContact CG-CZ2 4.49Å; E447-R516 IonicContact OE1-CZ 2.74Å; E447-R516 IonicContact OE1-NH1 2.8Å; E447-R516 IonicContact OE1-NH2 3.87Å; E447-R516 PolarHBondContact OE1-NH2 2.73Å
448	R	94.3	Very high	93.2	Very high	139 Å²	139	48 Å²	48	53%	0.525	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-45.1	176	-73.2	175.2	-179.6	179.5	0.8	111.8	I444 P445 A451 S452	I444-R448 WeakPolarHBondContact O-CG 3.37Å; I444-R448 PolarHBondContact O-N 2.86Å; P445-R448 PolarHBondContact O-N 2.65Å; R448-A451 PolarHBondContact O-N 3.22Å; R448-S452 PolarHBondContact O-N 3.28Å
449	Y	95.4	Very high	92.6	Very high	10 Å²	10	50.5 Å²	50.5	4%	0.039	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-45	177.5	-180	-108.4	0	0	0	111.3	P445 L446 A451 S452 L453 F472 S473 E476 F477	P445-Y449 PolarHBondContact O-N 2.99Å; L446-Y449 PolarHBondContact O-N 3.22Å; Y449-A451 VanDerWaalsContact C-N 3.31Å; Y449-A451 PolarHBondContact O-N 2.94Å; Y449-S452 WeakPolarHBondContact O-CA 3.35Å; Y449-S452 WeakPolarHBondContact O-CB 3.37Å; Y449-S452 PolarHBondContact O-N 3.44Å; Y449-S452 PolarHBondContact O-OG 2.65Å; Y449-L453 HydrophobicContact CD1-CD1 4.46Å; Y449-L453 HydrophobicContact CE1-CD1 4.1Å; Y449-L453 HydrophobicContact CE1-CD2 4.36Å; Y449-L453 HydrophobicContact CE1-CG 4.48Å; Y449-L453 HydrophobicContact CE2-CD2 4.4Å; Y449-L453 PolarHBondContact O-N 2.86Å; Y449-F472 AromaticContact CD1-CD2 3.67Å; Y449-F472 HydrophobicContact CD1-CD2 3.67Å; Y449-F472 AromaticContact CD1-CE2 3.37Å; Y449-F472 HydrophobicContact CD1-CE2 3.37Å; Y449-F472 AromaticContact CD1-CZ 3.95Å; Y449-F472 HydrophobicContact CD1-CZ 3.95Å; Y449-F472 HydrophobicContact CE1-CD1 4.38Å; Y449-F472 AromaticContact CE1-CD2 3.56Å; Y449-F472 HydrophobicContact CE1-CD2 3.56Å; Y449-F472 HydrophobicContact CE1-CE1 4.39Å; Y449-F472 AromaticContact CE1-CE2 3.64Å; Y449-F472 HydrophobicContact CE1-CE2 3.64Å; Y449-F472 AromaticContact CE1-CG 3.97Å; Y449-F472 HydrophobicContact CE1-CG 3.97Å; Y449-F472 HydrophobicContact CE1-CZ 4.04Å; Y449-S473 WeakPolarHBondContact OH-CB 3.02Å; Y449-S473 PolarHBondContact OH-N 3.25Å; Y449-S473 PolarHBondContact OH-O 3.42Å; Y449-E476 HydrophobicContact CE2-CB 4.39Å; Y449-E476 HydrophobicContact CE2-CG 3.98Å; Y449-E476 PolarHBondContact OH-OE2 3.28Å; Y449-F477 HydrophobicContact CD1-CB 3.9Å; Y449-F477 AromaticContact CD1-CD2 3.85Å; Y449-F477 HydrophobicContact CD1-CD2 3.85Å; Y449-F477 HydrophobicContact CD1-CG 4.31Å; Y449-F477 HydrophobicContact CE1-CB 3.9Å; Y449-F477 HydrophobicContact CG-CB 4.26Å; Y449-F477 AromaticContact CG-CD2 3.79Å; Y449-F477 HydrophobicContact CG-CD2 3.79Å
450	M	94.6	Very high	92.1	Very high	6 Å²	6	51 Å²	51	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-56	-45.1	173.7	-74.4	-67.7	-60.8	0	0	112	L446 E447 S452 L453 F472 W512 Y513 R516 M520	L446-M450 WeakPolarHBondContact O-CB 3.26Å; L446-M450 VanDerWaalsContact O-CG 3.28Å; L446-M450 WeakPolarHBondContact O-CG 3.35Å; L446-M450 PolarHBondContact O-N 3.4Å; E447-M450 PolarHBondContact O-N 2.77Å; M450-S452 PolarHBondContact O-N 3.32Å; M450-L453 WeakPolarHBondContact O-CB 3.34Å; M450-L453 PolarHBondContact O-N 3.34Å; M450-L453 HydrophobicContact SD-CD1 4.15Å; M450-F472 HydrophobicContact CG-CD2 4.45Å; M450-F472 HydrophobicContact CG-CE2 4.49Å; M450-F472 HydrophobicContact SD-CD2 3.53Å; M450-F472 VanDerWaalsContact SD-CD2 3.53Å; M450-F472 HydrophobicContact SD-CE2 4.1Å; M450-W512 HydrophobicContact CG-CH2 3.33Å; M450-W512 HydrophobicContact CG-CZ2 3.99Å; M450-W512 HydrophobicContact CG-CZ3 4.15Å; M450-W512 HydrophobicContact SD-CH2 4.08Å; M450-W512 HydrophobicContact SD-CZ3 4.32Å; M450-Y513 HydrophobicContact CE-CD2 3.97Å; M450-Y513 HydrophobicContact CE-CE2 3.87Å; M450-Y513 HydrophobicContact SD-CD2 3.83Å; M450-Y513 HydrophobicContact SD-CE2 3.81Å; M450-R516 HydrophobicContact CE-CB 3.92Å; M450-M520 HydrophobicContact CB-SD 4.25Å; M450-M520 HydrophobicContact CE-CE 4.41Å; M450-M520 HydrophobicContact CE-SD 3.45Å; M450-M520 WeakPolarHBondContact CE-SD 3.48Å; M450-M520 WeakPolarHBondContact O-CE 3.35Å
451	A	93.2	Very high	91.6	Very high	61 Å²	61	50.5 Å²	50.5	50%	0.504	26%	0.255	S	S	.	.	H	α-helix	trans	-60.2	-36.3	176.8	0	0	0	0	0	112	E447 R448 Y449 L453 M454	E447-A451 WeakPolarHBondContact O-CB 3.47Å; E447-A451 PolarHBondContact O-N 3.23Å; R448-A451 PolarHBondContact O-N 3.22Å; Y449-A451 VanDerWaalsContact C-N 3.31Å; Y449-A451 PolarHBondContact O-N 2.94Å; A451-L453 PolarHBondContact O-N 2.67Å; A451-M454 WeakPolarHBondContact O-CB 3.37Å; A451-M454 PolarHBondContact O-N 3.32Å
452	S	93.9	Very high	90.9	Very high	56 Å²	56	51.4 Å²	51.4	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-23.9	175.3	83.7	0	0	0	0	113.1	R448 Y449 M450 M454 R470	R448-S452 PolarHBondContact O-N 3.28Å; Y449-S452 WeakPolarHBondContact O-CA 3.35Å; Y449-S452 WeakPolarHBondContact O-CB 3.37Å; Y449-S452 PolarHBondContact O-N 3.44Å; Y449-S452 PolarHBondContact O-OG 2.65Å; M450-S452 PolarHBondContact O-N 3.32Å; S452-M454 PolarHBondContact O-N 3.07Å; S452-R470 PolarHBondContact O-NH2 2.96Å
453	L	94	Very high	90.1	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.01	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.7	177.6	-57.3	176.1	0	0	0	113.2	Y449 M450 A451 V469 R470 F472 M520	Y449-L453 HydrophobicContact CD1-CD1 4.46Å; Y449-L453 HydrophobicContact CE1-CD1 4.1Å; Y449-L453 HydrophobicContact CE1-CD2 4.36Å; Y449-L453 HydrophobicContact CE1-CG 4.48Å; Y449-L453 HydrophobicContact CE2-CD2 4.4Å; Y449-L453 PolarHBondContact O-N 2.86Å; M450-L453 WeakPolarHBondContact O-CB 3.34Å; M450-L453 PolarHBondContact O-N 3.34Å; M450-L453 HydrophobicContact SD-CD1 4.15Å; A451-L453 PolarHBondContact O-N 2.67Å; L453-V469 HydrophobicContact CB-CG1 4.21Å; L453-R470 HydrophobicContact CB-CB 4.09Å; L453-R470 HydrophobicContact CD2-CB 3.97Å; L453-R470 PolarHBondContact O-N 3.28Å; L453-R470 VanDerWaalsContact O-N 3.15Å; L453-F472 HydrophobicContact CD1-CB 4.16Å; L453-F472 HydrophobicContact CD1-CD2 4.18Å; L453-M520 HydrophobicContact CB-CE 4.31Å
454	M	92.8	Very high	89.4	Confident	55 Å²	55	63.3 Å²	63.3	27%	0.271	31%	0.309	S	S	.	.	S	Bend	trans	-61.4	136.2	174.3	-76	-62.7	-74.1	0	0	111.5	A451 S452 V469 M520	A451-M454 WeakPolarHBondContact O-CB 3.37Å; A451-M454 PolarHBondContact O-N 3.32Å; S452-M454 PolarHBondContact O-N 3.07Å; M454-V469 HydrophobicContact SD-CG2 4.38Å; M454-M520 HydrophobicContact CG-CE 3.67Å; M454-M520 HydrophobicContact SD-CB 3.7Å; M454-M520 HydrophobicContact SD-CE 3.51Å; M454-M520 VanDerWaalsContact SD-CE 3.51Å; M454-M520 HydrophobicContact SD-CG 3.84Å
455	P	89.6	Confident	88.6	Confident	25 Å²	25	67 Å²	67	16%	0.162	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-60.8	151.4	167	-23.3	35.2	0	0	0	111.7	P467 Q468 L524	P455-P467 HydrophobicContact CB-CB 3.77Å; P455-P467 HydrophobicContact CB-CG 3.52Å; P455-P467 HydrophobicContact CG-CB 3.76Å; P455-P467 HydrophobicContact CG-CG 3.8Å; P455-Q468 WeakPolarHBondContact CG-O 3.36Å; P455-L524 HydrophobicContact CG-CD2 4.14Å
456	L	87	Confident	87.9	Confident	102 Å²	102	68.3 Å²	68.3	53%	0.534	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-65.8	138.3	174.5	-63.6	173.4	0	0	0	109.9	R458 S459	L456-R458 HydrophobicContact CB-CG 3.95Å; L456-R458 VanDerWaalsContact CD1-NH2 3.32Å; L456-R458 PolarHBondContact O-N 3.45Å; L456-R458 VanDerWaalsContact O-N 3.14Å; L456-S459 WeakPolarHBondContact O-CB 3.4Å; L456-S459 PolarHBondContact O-N 3.01Å; L456-S459 PolarHBondContact O-OG 2.93Å
457	Q	81.6	Confident	87.5	Confident	138 Å²	138	70 Å²	70	65%	0.645	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-53.6	-39	-179.8	-179.9	166.7	11.9	0	0	112.7	S459 V460 L527	Q457-S459 PolarHBondContact O-N 3.39Å; Q457-S459 VanDerWaalsContact O-N 3.08Å; Q457-V460 WeakPolarHBondContact O-CB 3.19Å; Q457-V460 PolarHBondContact O-N 3.37Å; Q457-L527 HydrophobicContact CB-CD2 4.25Å; Q457-L527 HydrophobicContact CG-CD1 4.04Å; Q457-L527 HydrophobicContact CG-CD2 3.81Å; Q457-L527 HydrophobicContact CG-CG 4.49Å
458	R	82.9	Confident	87.2	Confident	214 Å²	214	74.6 Å²	74.6	81%	0.808	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-60	-17.1	175.3	67	-179.6	177.8	-175.4	-1.3	115.5	L456	L456-R458 HydrophobicContact CB-CG 3.95Å; L456-R458 VanDerWaalsContact CD1-NH2 3.32Å; L456-R458 PolarHBondContact O-N 3.45Å; L456-R458 VanDerWaalsContact O-N 3.14Å
459	S	83.8	Confident	87	Confident	54 Å²	54	68.8 Å²	68.8	38%	0.378	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-86.9	-12.2	177.6	68.8	0	0	0	0	113	L456 Q457 T461	L456-S459 WeakPolarHBondContact O-CB 3.4Å; L456-S459 PolarHBondContact O-N 3.01Å; L456-S459 PolarHBondContact O-OG 2.93Å; Q457-S459 PolarHBondContact O-N 3.39Å; Q457-S459 VanDerWaalsContact O-N 3.08Å; S459-T461 PolarHBondContact O-N 3.34Å
460	V	86.4	Confident	86.8	Confident	10 Å²	10	74.5 Å²	74.5	6%	0.061	38%	0.377	C	S	.	.			trans	-80.2	114.4	173.4	-173.5	0	0	0	0	107.7	Q457 P467 L524 L527 H528	Q457-V460 WeakPolarHBondContact O-CB 3.19Å; Q457-V460 PolarHBondContact O-N 3.37Å; V460-P467 HydrophobicContact CG2-CG 4.1Å; V460-L524 HydrophobicContact CG2-CD1 3.54Å; V460-L527 HydrophobicContact CB-CD2 4.34Å; V460-L527 HydrophobicContact CB-CG 4.46Å; V460-L527 HydrophobicContact CG1-CG 4.32Å; V460-L527 HydrophobicContact CG2-CD2 3.76Å; V460-L527 HydrophobicContact CG2-CG 4.32Å; V460-H528 HydrophobicContact CG1-CB 3.76Å
461	T	84.1	Confident	86.7	Confident	49 Å²	49	79.3 Å²	79.3	30%	0.301	41%	0.408	S	S	.	.			trans	-120.4	152.3	179.7	56.7	0	0	0	0	109.9	S459 W463 K464 H528	S459-T461 PolarHBondContact O-N 3.34Å; T461-W463 VanDerWaalsContact C-N 3.32Å; T461-W463 PolarHBondContact O-N 3.01Å; T461-K464 WeakPolarHBondContact OG1-CB 3.43Å; T461-H528 PolarHBondContact O-CE1 3.36Å; T461-H528 PolarHBondContact O-ND1 3.28Å; T461-H528 VanDerWaalsContact O-ND1 3.14Å
462	P	82.1	Confident	86.8	Confident	25 Å²	25	77.8 Å²	77.8	16%	0.162	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-38.3	-175.8	-21.2	31.7	0	0	0	113	H528 T531 I532 A535	P462-H528 PolarHBondContact O-CE1 3.32Å; P462-T531 HydrophobicContact CG-CG2 3.72Å; P462-I532 HydrophobicContact CB-CG1 4.2Å; P462-A535 HydrophobicContact CB-CB 3.8Å; P462-A535 HydrophobicContact CG-CB 3.6Å
463	W	79.3	Confident	86.9	Confident	107 Å²	107	77.3 Å²	77.3	41%	0.405	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-0.8	-164.9	-42.4	117.2	0	0	0	114.2	T461 A535 L537 W540	T461-W463 VanDerWaalsContact C-N 3.32Å; T461-W463 PolarHBondContact O-N 3.01Å; W463-A535 HydrophobicContact CH2-CB 4.06Å; W463-A535 HydrophobicContact CZ2-CB 3.66Å; W463-L537 HydrophobicContact CH2-CD2 3.71Å; W463-L537 HydrophobicContact CH2-CG 3.94Å; W463-L537 HydrophobicContact CZ3-CD2 3.67Å; W463-L537 HydrophobicContact CZ3-CG 4.41Å; W463-W540 AromaticContact CD2-CD1 3.92Å; W463-W540 HydrophobicContact CD2-CG 4.38Å; W463-W540 AromaticContact CD2-NE1 3.93Å; W463-W540 AromaticContact CE2-CD1 3.83Å; W463-W540 HydrophobicContact CE3-CD2 4.2Å; W463-W540 HydrophobicContact CE3-CG 4.23Å; W463-W540 HydrophobicContact CH2-CB 3.85Å; W463-W540 HydrophobicContact CH2-CD2 4.48Å; W463-W540 AromaticContact CH2-CG 3.94Å; W463-W540 HydrophobicContact CH2-CG 3.94Å; W463-W540 HydrophobicContact CZ2-CB 4Å; W463-W540 HydrophobicContact CZ2-CG 4.06Å; W463-W540 HydrophobicContact CZ3-CB 4.35Å; W463-W540 HydrophobicContact CZ3-CD2 4.09Å; W463-W540 HydrophobicContact CZ3-CG 4.01Å
464	K	81.1	Confident	87	Confident	151 Å²	151	81.3 Å²	81.3	66%	0.657	41%	0.405	S	S	*	.	S	Bend	trans	-118	156.1	177.5	-60.6	-176.1	178.8	-179.4	0	109.8	T461 H528	T461-K464 WeakPolarHBondContact OG1-CB 3.43Å; K464-H528 PolarHBondContact O-CE1 3.48Å
465	T	78.6	Confident	87.1	Confident	126 Å²	126	85.2 Å²	85.2	77%	0.773	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-53.8	136.7	169.1	-49.9	0	0	0	0	109.3
466	P	81	Confident	87.4	Confident	29 Å²	29	88.3 Å²	88.3	19%	0.188	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-51	139.6	174	-23.6	30.2	0	0	0	110.2	L524 H528	P466-L524 HydrophobicContact CB-CG 4.26Å; P466-H528 HydrophobicContact CB-CB 4.44Å; P466-H528 HydrophobicContact CG-CB 3.93Å
467	P	86.6	Confident	87.8	Confident	35 Å²	35	83.5 Å²	83.5	23%	0.227	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-56.3	156.6	173	24.5	-32.1	0	0	0	109.8	P455 V460 L524	P455-P467 HydrophobicContact CB-CB 3.77Å; P455-P467 HydrophobicContact CB-CG 3.52Å; P455-P467 HydrophobicContact CG-CB 3.76Å; P455-P467 HydrophobicContact CG-CG 3.8Å; V460-P467 HydrophobicContact CG2-CG 4.1Å; P467-L524 HydrophobicContact CG-CD1 4.31Å; P467-L524 HydrophobicContact CG-CD2 4.33Å; P467-L524 WeakPolarHBondContact O-CD2 3.07Å
468	Q	88	Confident	88.5	Confident	173 Å²	173	77.8 Å²	77.8	81%	0.808	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-92.3	150	175.6	-67.5	-169.7	-7.9	0	0	110.7	P455 R470	P455-Q468 WeakPolarHBondContact CG-O 3.36Å; Q468-R470 PolarHBondContact O-N 2.88Å
469	V	90.8	Very high	89	Confident	16 Å²	16	71.1 Å²	71.1	10%	0.097	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-61.1	133.1	169.4	178.6	0	0	0	0	108.2	L453 M454 M520	L453-V469 HydrophobicContact CB-CG1 4.21Å; M454-V469 HydrophobicContact SD-CG2 4.38Å; V469-M520 HydrophobicContact CG1-CE 3.39Å; V469-M520 HydrophobicContact CG1-SD 4.44Å; V469-M520 HydrophobicContact CG2-CB 4.04Å; V469-M520 HydrophobicContact CG2-CE 4.31Å
470	R	92.3	Very high	89.4	Confident	131 Å²	131	70.5 Å²	70.5	49%	0.494	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-63.9	142.3	178.8	-67.2	-171.7	-73.3	165.4	-3	110.3	S452 L453 Q468	S452-R470 PolarHBondContact O-NH2 2.96Å; L453-R470 HydrophobicContact CB-CB 4.09Å; L453-R470 HydrophobicContact CD2-CB 3.97Å; L453-R470 PolarHBondContact O-N 3.28Å; L453-R470 VanDerWaalsContact O-N 3.15Å; Q468-R470 PolarHBondContact O-N 2.88Å
471	P	92.5	Very high	89.6	Confident	107 Å²	107	70.2 Å²	70.2	70%	0.695	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-64.4	149.2	178.7	27.8	-34.6	0	0	0	110.8
472	F	95.3	Very high	89.7	Confident	29 Å²	29	73.1 Å²	73.1	13%	0.127	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-77.6	122.6	178.1	-175.3	-78.8	0	0	0	110.5	L446 Y449 M450 L453 Q474 F477 F504 F509 Y513	L446-F472 HydrophobicContact CD2-CE2 4.31Å; L446-F472 HydrophobicContact CD2-CZ 4Å; Y449-F472 AromaticContact CD1-CD2 3.67Å; Y449-F472 HydrophobicContact CD1-CD2 3.67Å; Y449-F472 AromaticContact CD1-CE2 3.37Å; Y449-F472 HydrophobicContact CD1-CE2 3.37Å; Y449-F472 AromaticContact CD1-CZ 3.95Å; Y449-F472 HydrophobicContact CD1-CZ 3.95Å; Y449-F472 HydrophobicContact CE1-CD1 4.38Å; Y449-F472 AromaticContact CE1-CD2 3.56Å; Y449-F472 HydrophobicContact CE1-CD2 3.56Å; Y449-F472 HydrophobicContact CE1-CE1 4.39Å; Y449-F472 AromaticContact CE1-CE2 3.64Å; Y449-F472 HydrophobicContact CE1-CE2 3.64Å; Y449-F472 AromaticContact CE1-CG 3.97Å; Y449-F472 HydrophobicContact CE1-CG 3.97Å; Y449-F472 HydrophobicContact CE1-CZ 4.04Å; M450-F472 HydrophobicContact CG-CD2 4.45Å; M450-F472 HydrophobicContact CG-CE2 4.49Å; M450-F472 HydrophobicContact SD-CD2 3.53Å; M450-F472 VanDerWaalsContact SD-CD2 3.53Å; M450-F472 HydrophobicContact SD-CE2 4.1Å; L453-F472 HydrophobicContact CD1-CB 4.16Å; L453-F472 HydrophobicContact CD1-CD2 4.18Å; F472-Q474 HydrophobicContact CD1-CG 4.33Å; F472-Q474 HydrophobicContact CE1-CG 4.11Å; F472-F477 HydrophobicContact CE1-CB 4.29Å; F472-F477 HydrophobicContact CZ-CB 4Å; F472-F477 HydrophobicContact CZ-CD2 4.36Å; F472-F477 HydrophobicContact CZ-CG 4.03Å; F472-F504 AromaticContact CE1-CE1 3.96Å; F472-F504 HydrophobicContact CE1-CE1 3.96Å; F472-F504 AromaticContact CE1-CZ 3.93Å; F472-F504 HydrophobicContact CE1-CZ 3.93Å; F472-F504 AromaticContact CZ-CE1 3.85Å; F472-F504 HydrophobicContact CZ-CE1 3.85Å; F472-F504 AromaticContact CZ-CZ 3.89Å; F472-F504 HydrophobicContact CZ-CZ 3.89Å; F472-F509 HydrophobicContact CD1-CZ 4.13Å; F472-F509 HydrophobicContact CE1-CE2 4.37Å; F472-F509 AromaticContact CE1-CZ 3.98Å; F472-F509 HydrophobicContact CE1-CZ 3.98Å; F472-F509 HydrophobicContact CZ-CE2 4.23Å; F472-F509 HydrophobicContact CZ-CZ 4.28Å; F472-Y513 HydrophobicContact CB-CD2 4.33Å; F472-Y513 HydrophobicContact CB-CE2 3.57Å; F472-Y513 HydrophobicContact CD2-CE2 4.37Å; F472-Y513 HydrophobicContact CG-CE2 4.24Å
473	S	96	Very high	89.8	Confident	45 Å²	45	79.5 Å²	79.5	32%	0.315	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-101.8	119.1	173.7	176.6	0	0	0	0	110.6	Y449 E476 F477	Y449-S473 WeakPolarHBondContact OH-CB 3.02Å; Y449-S473 PolarHBondContact OH-N 3.25Å; Y449-S473 PolarHBondContact OH-O 3.42Å; S473-E476 PolarHBondContact OG-N 3.23Å; S473-F477 WeakPolarHBondContact O-CB 3.4Å; S473-F477 PolarHBondContact O-N 3.42Å
474	Q	95.4	Very high	90.2	Very high	87 Å²	87	76.7 Å²	76.7	41%	0.407	40%	0.402	S	S	.	.	H	α-helix	trans	-64.3	-42.7	178.7	-65.1	-177.2	25	0	0	111.4	F472 F477 I478 F504	F472-Q474 HydrophobicContact CD1-CG 4.33Å; F472-Q474 HydrophobicContact CE1-CG 4.11Å; Q474-F477 PolarHBondContact O-N 2.89Å; Q474-I478 VanDerWaalsContact O-CG1 3.22Å; Q474-I478 WeakPolarHBondContact O-CG1 3Å; Q474-I478 PolarHBondContact O-N 3.05Å; Q474-F504 HydrophobicContact CB-CD2 4.01Å; Q474-F504 HydrophobicContact CB-CE2 4.07Å; Q474-F504 HydrophobicContact CG-CB 4.47Å; Q474-F504 HydrophobicContact CG-CD2 3.7Å; Q474-F504 HydrophobicContact CG-CE2 4.07Å; Q474-F504 HydrophobicContact CG-CG 4.11Å
475	D	94.8	Very high	90.4	Very high	137 Å²	137	69.6 Å²	69.6	73%	0.733	37%	0.372	S	S	*	.	H	α-helix	trans	-68.8	-41	-177.2	-64.4	-38.7	0	0	0	111.8	I478 S479	D475-I478 PolarHBondContact O-N 2.98Å; D475-S479 PolarHBondContact O-N 3.27Å
476	E	95.1	Very high	90.9	Very high	90 Å²	90	63.7 Å²	63.7	42%	0.421	34%	0.336	S	S	.	.	H	α-helix	trans	-62.2	-48.9	174.6	-171.1	-172.8	-175.1	0	0	110.2	Y449 S473 I478 S479 T480	Y449-E476 HydrophobicContact CE2-CB 4.39Å; Y449-E476 HydrophobicContact CE2-CG 3.98Å; Y449-E476 PolarHBondContact OH-OE2 3.28Å; S473-E476 PolarHBondContact OG-N 3.23Å; E476-I478 VanDerWaalsContact C-N 3.35Å; E476-I478 PolarHBondContact O-N 2.91Å; E476-S479 WeakPolarHBondContact O-CB 3.19Å; E476-S479 PolarHBondContact O-N 2.84Å; E476-S479 VanDerWaalsContact O-N 3.13Å; E476-S479 PolarHBondContact O-OG 3.07Å; E476-T480 WeakPolarHBondContact O-CG2 3.33Å; E476-T480 PolarHBondContact O-N 3.01Å
477	F	96.3	Very high	91	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-55.1	-49.4	175.7	171.4	-96.8	0	0	0	112	P445 L446 Y449 F472 S473 Q474 S479 T480 L481 Y500 F504	P445-F477 HydrophobicContact CB-CE2 4.08Å; P445-F477 HydrophobicContact CB-CZ 4.16Å; L446-F477 HydrophobicContact CD2-CD1 4.44Å; L446-F477 HydrophobicContact CD2-CD2 4.25Å; L446-F477 HydrophobicContact CD2-CE1 3.88Å; L446-F477 HydrophobicContact CD2-CE2 3.69Å; L446-F477 HydrophobicContact CD2-CZ 3.46Å; L446-F477 VanDerWaalsContact CD2-CZ 3.46Å; L446-F477 HydrophobicContact CG-CE2 4.13Å; L446-F477 HydrophobicContact CG-CZ 3.84Å; Y449-F477 HydrophobicContact CD1-CB 3.9Å; Y449-F477 AromaticContact CD1-CD2 3.85Å; Y449-F477 HydrophobicContact CD1-CD2 3.85Å; Y449-F477 HydrophobicContact CD1-CG 4.31Å; Y449-F477 HydrophobicContact CE1-CB 3.9Å; Y449-F477 HydrophobicContact CG-CB 4.26Å; Y449-F477 AromaticContact CG-CD2 3.79Å; Y449-F477 HydrophobicContact CG-CD2 3.79Å; F472-F477 HydrophobicContact CE1-CB 4.29Å; F472-F477 HydrophobicContact CZ-CB 4Å; F472-F477 HydrophobicContact CZ-CD2 4.36Å; F472-F477 HydrophobicContact CZ-CG 4.03Å; S473-F477 WeakPolarHBondContact O-CB 3.4Å; S473-F477 PolarHBondContact O-N 3.42Å; Q474-F477 PolarHBondContact O-N 2.89Å; F477-S479 PolarHBondContact O-N 2.95Å; F477-T480 PolarHBondContact O-N 3.38Å; F477-T480 PolarHBondContact O-OG1 3.44Å; F477-L481 HydrophobicContact CE1-CD1 4Å; F477-L481 HydrophobicContact CE1-CD2 3.87Å; F477-L481 HydrophobicContact CE1-CG 4.07Å; F477-L481 HydrophobicContact CE2-CD2 4.27Å; F477-L481 HydrophobicContact CZ-CD2 3.63Å; F477-L481 HydrophobicContact CZ-CG 4.3Å; F477-L481 PolarHBondContact O-N 3.28Å; F477-Y500 AromaticContact CE1-CD1 3.76Å; F477-Y500 HydrophobicContact CE1-CD1 3.76Å; F477-Y500 HydrophobicContact CE1-CD2 4.17Å; F477-Y500 HydrophobicContact CE1-CE1 4.01Å; F477-Y500 HydrophobicContact CE1-CE2 4.37Å; F477-Y500 AromaticContact CE1-CG 3.85Å; F477-Y500 HydrophobicContact CE1-CG 3.85Å; F477-Y500 HydrophobicContact CZ-CD1 4.08Å; F477-Y500 AromaticContact CZ-CE1 3.83Å; F477-Y500 HydrophobicContact CZ-CE1 3.83Å; F477-Y500 HydrophobicContact CZ-CE2 4.35Å; F477-Y500 HydrophobicContact CZ-CG 4.46Å; F477-Y500 AromaticContact CZ-CZ 3.96Å; F477-F504 AromaticContact CD1-CE2 3.95Å; F477-F504 HydrophobicContact CD1-CE2 3.95Å; F477-F504 AromaticContact CD1-CZ 3.41Å; F477-F504 HydrophobicContact CD1-CZ 3.41Å; F477-F504 VanDerWaalsContact CD1-CZ 3.41Å; F477-F504 HydrophobicContact CE1-CE2 4.4Å; F477-F504 AromaticContact CE1-CZ 3.67Å; F477-F504 HydrophobicContact CE1-CZ 3.67Å; F477-F504 HydrophobicContact CG-CZ 4.21Å
478	I	95.6	Very high	91	Very high	18 Å²	18	69.9 Å²	69.9	9%	0.092	36%	0.362	C	S	.	.	H	α-helix	trans	-59.6	-38.4	-179.5	-68.1	-66.5	0	0	0	110.6	Q474 D475 E476 T480 L481 M497 R501 F504	Q474-I478 VanDerWaalsContact O-CG1 3.22Å; Q474-I478 WeakPolarHBondContact O-CG1 3Å; Q474-I478 PolarHBondContact O-N 3.05Å; D475-I478 PolarHBondContact O-N 2.98Å; E476-I478 VanDerWaalsContact C-N 3.35Å; E476-I478 PolarHBondContact O-N 2.91Å; I478-T480 PolarHBondContact O-N 3.26Å; I478-L481 HydrophobicContact CD1-CD1 3.72Å; I478-L481 WeakPolarHBondContact O-CB 3.36Å; I478-L481 PolarHBondContact O-N 3.39Å; I478-L481 VanDerWaalsContact O-N 3.15Å; I478-M497 HydrophobicContact CG2-SD 4.47Å; I478-R501 HydrophobicContact CD1-CG 4.32Å; I478-F504 HydrophobicContact CD1-CE2 4.13Å; I478-F504 HydrophobicContact CG1-CE2 4.29Å
479	S	93.6	Very high	90.9	Very high	74 Å²	74	64.9 Å²	64.9	52%	0.517	34%	0.343	S	S	.	.	H	α-helix	trans	-63.7	-27.6	176.3	78	0	0	0	0	113.6	D475 E476 F477 L481	D475-S479 PolarHBondContact O-N 3.27Å; E476-S479 WeakPolarHBondContact O-CB 3.19Å; E476-S479 PolarHBondContact O-N 2.84Å; E476-S479 VanDerWaalsContact O-N 3.13Å; E476-S479 PolarHBondContact O-OG 3.07Å; F477-S479 PolarHBondContact O-N 2.95Å; S479-L481 VanDerWaalsContact C-N 3.31Å; S479-L481 PolarHBondContact O-N 2.94Å
480	T	92.8	Very high	90.8	Very high	41 Å²	41	65 Å²	65	25%	0.252	35%	0.345	S	S	.	.	H	α-helix	trans	-77	-16.2	176.8	69.7	0	0	0	0	113.8	E476 F477 I478 D482 H483 T484	E476-T480 WeakPolarHBondContact O-CG2 3.33Å; E476-T480 PolarHBondContact O-N 3.01Å; F477-T480 PolarHBondContact O-N 3.38Å; F477-T480 PolarHBondContact O-OG1 3.44Å; I478-T480 PolarHBondContact O-N 3.26Å; T480-D482 VanDerWaalsContact C-N 3.26Å; T480-D482 PolarHBondContact O-N 2.95Å; T480-H483 PolarHBondContact O-N 3.45Å; T480-T484 PolarHBondContact O-N 3.14Å; T480-T484 PolarHBondContact O-OG1 2.94Å
481	L	91.2	Very high	90.5	Very high	5 Å²	5	67.8 Å²	67.8	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-65.8	-27.2	-173.4	-71.5	179.7	0	0	0	113.2	P445 F477 I478 S479 H483 G485 Q487 M497 Y500	P445-L481 HydrophobicContact CB-CD2 4.11Å; F477-L481 HydrophobicContact CE1-CD1 4Å; F477-L481 HydrophobicContact CE1-CD2 3.87Å; F477-L481 HydrophobicContact CE1-CG 4.07Å; F477-L481 HydrophobicContact CE2-CD2 4.27Å; F477-L481 HydrophobicContact CZ-CD2 3.63Å; F477-L481 HydrophobicContact CZ-CG 4.3Å; F477-L481 PolarHBondContact O-N 3.28Å; I478-L481 HydrophobicContact CD1-CD1 3.72Å; I478-L481 WeakPolarHBondContact O-CB 3.36Å; I478-L481 PolarHBondContact O-N 3.39Å; I478-L481 VanDerWaalsContact O-N 3.15Å; S479-L481 VanDerWaalsContact C-N 3.31Å; S479-L481 PolarHBondContact O-N 2.94Å; L481-H483 PolarHBondContact O-N 3.49Å; L481-G485 VanDerWaalsContact O-CA 3.24Å; L481-G485 WeakPolarHBondContact O-CA 3.36Å; L481-G485 PolarHBondContact O-N 3.36Å; L481-Q487 PolarHBondContact O-NE2 2.85Å; L481-M497 HydrophobicContact CD1-CG 4.15Å; L481-Y500 HydrophobicContact CD1-CD2 3.49Å; L481-Y500 VanDerWaalsContact CD1-CD2 3.49Å; L481-Y500 HydrophobicContact CD1-CE2 3.86Å; L481-Y500 HydrophobicContact CD1-CG 4.31Å; L481-Y500 HydrophobicContact CD2-CD2 4.22Å; L481-Y500 HydrophobicContact CD2-CE2 3.73Å; L481-Y500 HydrophobicContact CG-CE2 4.49Å
482	D	84.9	Confident	90.4	Very high	110 Å²	110	63.6 Å²	63.6	59%	0.588	34%	0.337	S	S	*	.	H	α-helix	trans	-61	-36.3	178.2	-70.7	-24.9	0	0	0	111.7	T480 Q487	T480-D482 VanDerWaalsContact C-N 3.26Å; T480-D482 PolarHBondContact O-N 2.95Å; D482-Q487 PolarHBondContact O-NE2 2.99Å
483	H	85.9	Confident	90.2	Very high	158 Å²	158	71.6 Å²	71.6	73%	0.731	37%	0.367	S	S	*	.	H	α-helix	trans	-102.3	-23	-177.5	-58.2	-60.7	0	0	0	114.2	T480 L481 L488	T480-H483 PolarHBondContact O-N 3.45Å; L481-H483 PolarHBondContact O-N 3.49Å; H483-L488 WeakPolarHBondContact O-CD1 3.45Å
484	T	86.2	Confident	90.1	Very high	49 Å²	49	71.1 Å²	71.1	30%	0.301	37%	0.369	S	S	.	.	H	α-helix	trans	-129.2	9.6	-171.3	65.8	0	0	0	0	114.4	P445 T480	P445-T484 WeakPolarHBondContact CG-O 3.38Å; T480-T484 PolarHBondContact O-N 3.14Å; T480-T484 PolarHBondContact O-OG1 2.94Å
485	G	86.3	Confident	90.1	Very high	2 Å²	2	70.5 Å²	70.5	2%	0.021	37%	0.368	C	S	.	.	S	Bend	trans	-75.3	176.9	-171.7	0	0	0	0	0	116	L481 Q487 L488	L481-G485 VanDerWaalsContact O-CA 3.24Å; L481-G485 WeakPolarHBondContact O-CA 3.36Å; L481-G485 PolarHBondContact O-N 3.36Å; G485-Q487 PolarHBondContact O-N 3.45Å; G485-Q487 VanDerWaalsContact O-N 3.08Å; G485-L488 PolarHBondContact O-N 2.92Å
486	P	87.6	Confident	90.1	Very high	1 Å²	1	65 Å²	65	1%	0.006	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-59	-22.1	-176.6	-26.8	36.9	0	0	0	114.9	S441 P445 L488 T489 S490 W496 Y500	S441-P486 WeakPolarHBondContact O-CB 3.41Å; P445-P486 HydrophobicContact CG-CG 4.08Å; P486-L488 PolarHBondContact O-N 2.87Å; P486-L488 VanDerWaalsContact O-N 3.08Å; P486-T489 PolarHBondContact O-N 3.25Å; P486-T489 PolarHBondContact O-OG1 3.35Å; P486-S490 WeakPolarHBondContact O-CB 3.35Å; P486-S490 PolarHBondContact O-N 2.96Å; P486-W496 HydrophobicContact CB-CD2 3.8Å; P486-W496 HydrophobicContact CB-CE3 3.77Å; P486-W496 HydrophobicContact CB-CG 4.45Å; P486-W496 HydrophobicContact CB-CH2 3.98Å; P486-W496 HydrophobicContact CB-CZ2 4.03Å; P486-W496 HydrophobicContact CB-CZ3 3.86Å; P486-W496 HydrophobicContact CG-CD2 3.99Å; P486-W496 HydrophobicContact CG-CE3 3.72Å; P486-W496 HydrophobicContact CG-CG 4.45Å; P486-W496 HydrophobicContact CG-CZ3 4.11Å; P486-Y500 HydrophobicContact CG-CE2 3.71Å; P486-Y500 WeakPolarHBondContact CG-OH 3.42Å
487	Q	84.5	Confident	90.2	Very high	86 Å²	86	64.2 Å²	64.2	40%	0.402	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-59.4	-17.3	177.4	66.7	-83.9	14.3	0	0	113.5	L481 D482 G485	L481-Q487 PolarHBondContact O-NE2 2.85Å; D482-Q487 PolarHBondContact O-NE2 2.99Å; G485-Q487 PolarHBondContact O-N 3.45Å; G485-Q487 VanDerWaalsContact O-N 3.08Å
488	L	85.5	Confident	90.2	Very high	108 Å²	108	64.7 Å²	64.7	57%	0.565	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-78	-24.6	175.6	-61.4	179.4	0	0	0	113.3	H483 G485 P486	H483-L488 WeakPolarHBondContact O-CD1 3.45Å; G485-L488 PolarHBondContact O-N 2.92Å; P486-L488 PolarHBondContact O-N 2.87Å; P486-L488 VanDerWaalsContact O-N 3.08Å
489	T	86.6	Confident	90.3	Very high	68 Å²	68	63.8 Å²	63.8	42%	0.417	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-18.1	-174.6	61.5	0	0	0	0	113.2	S441 I444 P486	S441-T489 VanDerWaalsContact CA-OG1 3.31Å; S441-T489 WeakPolarHBondContact CA-OG1 3.26Å; S441-T489 WeakPolarHBondContact CB-OG1 3.35Å; S441-T489 PolarHBondContact OG-O 3.24Å; S441-T489 PolarHBondContact OG-OG1 3.08Å; I444-T489 HydrophobicContact CD1-CG2 4.35Å; P486-T489 PolarHBondContact O-N 3.25Å; P486-T489 PolarHBondContact O-OG1 3.35Å
490	S	88.3	Confident	90.5	Very high	18 Å²	18	60.3 Å²	60.3	13%	0.126	31%	0.31	C	S	.	.			trans	-111.5	136.7	178.6	-173.3	0	0	0	0	111.9	P486 L492	P486-S490 WeakPolarHBondContact O-CB 3.35Å; P486-S490 PolarHBondContact O-N 2.96Å; S490-L492 PolarHBondContact O-N 3.33Å; S490-L492 PolarHBondContact OG-N 3.2Å
491	M	86.6	Confident	90.7	Very high	191 Å²	191	64.1 Å²	64.1	94%	0.941	32%	0.32	S	S	*	.			trans	-80.5	-5.9	172.5	-63.1	-67.9	-179.3	0	0	112.8
492	L	90.3	Very high	91	Very high	18 Å²	18	69 Å²	69	9%	0.094	34%	0.338	C	S	.	.			trans	-78	135.8	-178.9	-73.5	174.9	0	0	0	111.7	H405 D407 L438 S490 W496	H405-L492 WeakPolarHBondContact O-CD2 3.33Å; D407-L492 HydrophobicContact CB-CD2 3.99Å; L438-L492 HydrophobicContact CD1-CD1 3.7Å; L438-L492 HydrophobicContact CD2-CD1 4.05Å; L438-L492 HydrophobicContact CG-CD1 4.43Å; S490-L492 PolarHBondContact O-N 3.33Å; S490-L492 PolarHBondContact OG-N 3.2Å; L492-W496 HydrophobicContact CB-CZ2 4.14Å; L492-W496 PolarHBondContact O-NE1 3.38Å; L492-W496 VanDerWaalsContact O-NE1 3.14Å
493	R	91.6	Very high	91.6	Very high	198 Å²	198	63.7 Å²	63.7	75%	0.747	31%	0.31	S	S	*	.			trans	-105.8	154.6	178	-61.5	-175.3	-174.1	-172.7	0	110.5	H405	H405-R493 WeakPolarHBondContact CB-O 3.21Å; H405-R493 PolarHBondContact CD2-O 2.86Å; H405-R493 PolarHBondContact N-O 3.18Å
494	G	94.1	Very high	92.2	Very high	35 Å²	35	56.8 Å²	56.8	36%	0.361	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	146.6	-164.5	177	0	0	0	0	0	111.3	F403 W496	F403-G494 CarbonylContact O-C 3.6Å; F403-G494 WeakPolarHBondContact O-CA 3.46Å; G494-W496 PolarHBondContact O-N 2.89Å
495	D	95.2	Very high	92.7	Very high	74 Å²	74	64 Å²	64	40%	0.396	30%	0.299	S	S	.	.			trans	-88.1	76.7	-178.2	-178.3	17.5	0	0	0	111.8	F403 M497 G498 L499	F403-D495 HydrophobicContact CD1-CB 4.14Å; F403-D495 PolarHBondContact O-N 2.98Å; D495-M497 VanDerWaalsContact C-N 3.29Å; D495-M497 PolarHBondContact O-N 2.87Å; D495-M497 PolarHBondContact OD1-N 3.48Å; D495-G498 PolarHBondContact O-N 2.76Å; D495-G498 PolarHBondContact OD1-N 2.96Å; D495-G498 WeakPolarHBondContact OD2-CA 3.15Å; D495-L499 PolarHBondContact O-N 2.73Å; D495-L499 VanDerWaalsContact O-N 3.12Å
496	W	95.2	Very high	93.2	Very high	20 Å²	20	64.3 Å²	64.3	8%	0.076	30%	0.301	C	S	.	.	H	α-helix	trans	-59.8	-38.6	175.4	-71.9	104.8	0	0	0	112.5	L404 L438 F442 P486 L492 G494 L499 Y500	L404-W496 HydrophobicContact CD1-CD2 4.18Å; L404-W496 HydrophobicContact CD1-CE3 3.88Å; L404-W496 HydrophobicContact CD1-CH2 3.41Å; L404-W496 VanDerWaalsContact CD1-CH2 3.41Å; L404-W496 HydrophobicContact CD1-CZ2 3.72Å; L404-W496 HydrophobicContact CD1-CZ3 3.49Å; L404-W496 VanDerWaalsContact CD1-CZ3 3.49Å; L404-W496 HydrophobicContact CD2-CD2 3.59Å; L404-W496 HydrophobicContact CD2-CE3 4Å; L404-W496 HydrophobicContact CD2-CG 3.91Å; L404-W496 HydrophobicContact CD2-CH2 4.49Å; L404-W496 HydrophobicContact CD2-CZ2 4.12Å; L404-W496 HydrophobicContact CD2-CZ3 4.43Å; L438-W496 HydrophobicContact CD1-CH2 3.78Å; F442-W496 HydrophobicContact CB-CZ3 4.29Å; F442-W496 HydrophobicContact CD2-CE3 4.21Å; F442-W496 AromaticContact CD2-CZ3 4Å; F442-W496 HydrophobicContact CD2-CZ3 4Å; P486-W496 HydrophobicContact CB-CD2 3.8Å; P486-W496 HydrophobicContact CB-CE3 3.77Å; P486-W496 HydrophobicContact CB-CG 4.45Å; P486-W496 HydrophobicContact CB-CH2 3.98Å; P486-W496 HydrophobicContact CB-CZ2 4.03Å; P486-W496 HydrophobicContact CB-CZ3 3.86Å; P486-W496 HydrophobicContact CG-CD2 3.99Å; P486-W496 HydrophobicContact CG-CE3 3.72Å; P486-W496 HydrophobicContact CG-CG 4.45Å; P486-W496 HydrophobicContact CG-CZ3 4.11Å; L492-W496 HydrophobicContact CB-CZ2 4.14Å; L492-W496 PolarHBondContact O-NE1 3.38Å; L492-W496 VanDerWaalsContact O-NE1 3.14Å; G494-W496 PolarHBondContact O-N 2.89Å; W496-L499 HydrophobicContact CE3-CD2 4.29Å; W496-L499 HydrophobicContact CZ3-CD2 4.39Å; W496-L499 WeakPolarHBondContact O-CB 3.26Å; W496-L499 PolarHBondContact O-N 3.04Å; W496-Y500 WeakPolarHBondContact O-CD2 3.21Å; W496-Y500 PolarHBondContact O-N 3.44Å
497	M	95.4	Very high	93.6	Very high	74 Å²	74	66 Å²	66	37%	0.365	31%	0.313	S	S	.	.	H	α-helix	trans	-64.8	-44.7	179.9	-70.2	-174.7	-85.3	0	0	111.7	I478 L481 D495 L499 Y500 R501	I478-M497 HydrophobicContact CG2-SD 4.47Å; L481-M497 HydrophobicContact CD1-CG 4.15Å; D495-M497 VanDerWaalsContact C-N 3.29Å; D495-M497 PolarHBondContact O-N 2.87Å; D495-M497 PolarHBondContact OD1-N 3.48Å; M497-L499 VanDerWaalsContact C-N 3.29Å; M497-L499 PolarHBondContact O-N 3.45Å; M497-Y500 PolarHBondContact O-N 2.69Å; M497-R501 WeakPolarHBondContact O-CG 3.29Å; M497-R501 PolarHBondContact O-N 3.35Å
498	G	96.5	Very high	94.3	Very high	10 Å²	10	62 Å²	62	10%	0.103	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-40.2	173.9	0	0	0	0	0	112.3	F403 D495 R501 R502	F403-G498 VanDerWaalsContact CE1-C 3.44Å; D495-G498 PolarHBondContact O-N 2.76Å; D495-G498 PolarHBondContact OD1-N 2.96Å; D495-G498 WeakPolarHBondContact OD2-CA 3.15Å; G498-R501 PolarHBondContact O-N 2.97Å; G498-R502 PolarHBondContact O-N 3.44Å
499	L	97.6	Very high	94.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.1	-46.7	176	-174.3	63.3	0	0	0	111.9	W281 E282 L285 L286 F403 L404 F442 D495 W496 M497 R502 F503	W281-L499 HydrophobicContact CH2-CD2 4.15Å; W281-L499 HydrophobicContact CZ3-CD2 3.92Å; E282-L499 HydrophobicContact CG-CD1 4.2Å; L285-L499 HydrophobicContact CD2-CD1 4.19Å; L285-L499 HydrophobicContact CD2-CD2 4Å; L285-L499 HydrophobicContact CD2-CG 4.19Å; L286-L499 HydrophobicContact CD1-CD1 4.23Å; L286-L499 HydrophobicContact CD2-CD1 4.06Å; L286-L499 HydrophobicContact CG-CD1 4.25Å; F403-L499 HydrophobicContact CB-CB 3.97Å; F403-L499 HydrophobicContact CB-CD1 4.41Å; F403-L499 HydrophobicContact CD2-CB 4.27Å; F403-L499 HydrophobicContact CD2-CD1 3.76Å; F403-L499 HydrophobicContact CE2-CD1 4.41Å; F403-L499 HydrophobicContact CG-CB 4.02Å; F403-L499 HydrophobicContact CG-CD1 4.3Å; L404-L499 HydrophobicContact CD1-CD2 3.91Å; L404-L499 HydrophobicContact CG-CD2 4.18Å; F442-L499 HydrophobicContact CD2-CD2 4.1Å; F442-L499 HydrophobicContact CE2-CD2 3.94Å; F442-L499 HydrophobicContact CE2-CG 4Å; D495-L499 PolarHBondContact O-N 2.73Å; D495-L499 VanDerWaalsContact O-N 3.12Å; W496-L499 HydrophobicContact CE3-CD2 4.29Å; W496-L499 HydrophobicContact CZ3-CD2 4.39Å; W496-L499 WeakPolarHBondContact O-CB 3.26Å; W496-L499 PolarHBondContact O-N 3.04Å; M497-L499 VanDerWaalsContact C-N 3.29Å; M497-L499 PolarHBondContact O-N 3.45Å; L499-R502 PolarHBondContact O-N 3.23Å; L499-F503 WeakPolarHBondContact O-CB 3.4Å; L499-F503 PolarHBondContact O-N 3.04Å
500	Y	97.9	Very high	95.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-45.2	175.6	-80.3	-66	0	0	0	112.7	F442 L446 F477 L481 P486 W496 M497 R502 F503 F504	F442-Y500 HydrophobicContact CD1-CE1 4.41Å; F442-Y500 HydrophobicContact CD2-CD1 4.35Å; F442-Y500 AromaticContact CD2-CE1 3.75Å; F442-Y500 HydrophobicContact CD2-CE1 3.75Å; F442-Y500 HydrophobicContact CD2-CE2 4.38Å; F442-Y500 AromaticContact CD2-CZ 3.78Å; F442-Y500 HydrophobicContact CE1-CD1 4.4Å; F442-Y500 HydrophobicContact CE1-CE1 4.03Å; F442-Y500 AromaticContact CE2-CD1 3.47Å; F442-Y500 HydrophobicContact CE2-CD1 3.47Å; F442-Y500 VanDerWaalsContact CE2-CD1 3.47Å; F442-Y500 HydrophobicContact CE2-CD2 4.33Å; F442-Y500 AromaticContact CE2-CE1 3.3Å; F442-Y500 HydrophobicContact CE2-CE1 3.3Å; F442-Y500 HydrophobicContact CE2-CE2 4.22Å; F442-Y500 AromaticContact CE2-CG 3.99Å; F442-Y500 HydrophobicContact CE2-CG 3.99Å; F442-Y500 AromaticContact CE2-CZ 3.73Å; F442-Y500 HydrophobicContact CG-CE1 4.29Å; F442-Y500 AromaticContact CZ-CD1 3.5Å; F442-Y500 HydrophobicContact CZ-CD1 3.5Å; F442-Y500 AromaticContact CZ-CE1 3.46Å; F442-Y500 HydrophobicContact CZ-CE1 3.46Å; F442-Y500 VanDerWaalsContact CZ-CE1 3.46Å; F442-Y500 HydrophobicContact CZ-CG 4.36Å; F442-Y500 PolarHBondContact O-OH 2.9Å; L446-Y500 HydrophobicContact CD1-CD1 4.41Å; L446-Y500 HydrophobicContact CD1-CE1 3.85Å; L446-Y500 HydrophobicContact CD2-CD1 4.41Å; L446-Y500 HydrophobicContact CD2-CE1 4.23Å; L446-Y500 HydrophobicContact CG-CD1 4.45Å; L446-Y500 HydrophobicContact CG-CE1 3.82Å; F477-Y500 AromaticContact CE1-CD1 3.76Å; F477-Y500 HydrophobicContact CE1-CD1 3.76Å; F477-Y500 HydrophobicContact CE1-CD2 4.17Å; F477-Y500 HydrophobicContact CE1-CE1 4.01Å; F477-Y500 HydrophobicContact CE1-CE2 4.37Å; F477-Y500 AromaticContact CE1-CG 3.85Å; F477-Y500 HydrophobicContact CE1-CG 3.85Å; F477-Y500 HydrophobicContact CZ-CD1 4.08Å; F477-Y500 AromaticContact CZ-CE1 3.83Å; F477-Y500 HydrophobicContact CZ-CE1 3.83Å; F477-Y500 HydrophobicContact CZ-CE2 4.35Å; F477-Y500 HydrophobicContact CZ-CG 4.46Å; F477-Y500 AromaticContact CZ-CZ 3.96Å; L481-Y500 HydrophobicContact CD1-CD2 3.49Å; L481-Y500 VanDerWaalsContact CD1-CD2 3.49Å; L481-Y500 HydrophobicContact CD1-CE2 3.86Å; L481-Y500 HydrophobicContact CD1-CG 4.31Å; L481-Y500 HydrophobicContact CD2-CD2 4.22Å; L481-Y500 HydrophobicContact CD2-CE2 3.73Å; L481-Y500 HydrophobicContact CG-CE2 4.49Å; P486-Y500 HydrophobicContact CG-CE2 3.71Å; P486-Y500 WeakPolarHBondContact CG-OH 3.42Å; W496-Y500 WeakPolarHBondContact O-CD2 3.21Å; W496-Y500 PolarHBondContact O-N 3.44Å; M497-Y500 PolarHBondContact O-N 2.69Å; Y500-R502 PolarHBondContact O-N 3.12Å; Y500-F503 WeakPolarHBondContact O-CB 3.49Å; Y500-F503 PolarHBondContact O-N 3.47Å; Y500-F503 VanDerWaalsContact O-N 3.08Å; Y500-F504 WeakPolarHBondContact O-CD2 3.39Å; Y500-F504 WeakPolarHBondContact O-CG 3.46Å; Y500-F504 PolarHBondContact O-N 2.92Å
501	R	97.5	Very high	95.7	Very high	121 Å²	121	57.6 Å²	57.6	46%	0.457	27%	0.271	S	S	.	.	H	α-helix	trans	-58.3	-36.9	177.5	-72.8	-176.5	-172.6	106	0.6	112.1	I478 M497 G498	I478-R501 HydrophobicContact CD1-CG 4.32Å; M497-R501 WeakPolarHBondContact O-CG 3.29Å; M497-R501 PolarHBondContact O-N 3.35Å; G498-R501 PolarHBondContact O-N 2.97Å
502	R	97.8	Very high	96.1	Very high	107 Å²	107	49 Å²	49	40%	0.404	23%	0.228	S	C	.	.	H	α-helix	trans	-73.5	-41.5	174.8	-172.7	59.4	177.8	175.5	3.2	111.4	L286 E288 F403 G498 L499 Y500 F504 R505	L286-R502 HydrophobicContact CD1-CB 4.36Å; L286-R502 HydrophobicContact CD1-CG 3.59Å; L286-R502 HydrophobicContact CD2-CB 3.9Å; L286-R502 HydrophobicContact CD2-CG 3.67Å; L286-R502 HydrophobicContact CG-CG 4.15Å; E288-R502 IonicContact OE1-CZ 3.17Å; E288-R502 IonicContact OE1-NE 3.75Å; E288-R502 PolarHBondContact OE1-NE 2.93Å; E288-R502 IonicContact OE1-NH2 2.79Å; E288-R502 PolarHBondContact OE1-NH2 3.47Å; E288-R502 IonicContact OE2-NH2 2.71Å; F403-R502 HydrophobicContact CE2-CB 4.33Å; F403-R502 HydrophobicContact CE2-CG 4.5Å; F403-R502 HydrophobicContact CZ-CB 4.24Å; G498-R502 PolarHBondContact O-N 3.44Å; L499-R502 PolarHBondContact O-N 3.23Å; Y500-R502 PolarHBondContact O-N 3.12Å; R502-F504 VanDerWaalsContact C-N 3.34Å; R502-F504 PolarHBondContact O-N 3.02Å; R502-R505 PolarHBondContact O-N 3.33Å; R502-R505 VanDerWaalsContact O-N 3.13Å
503	F	98.2	Very high	96.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-39.1	178.5	178.4	-113.1	0	0	0	112.8	L285 L286 L314 F442 L446 L499 Y500 R505 S506 N508 F509	L285-F503 HydrophobicContact CD1-CD2 4.29Å; L285-F503 HydrophobicContact CD1-CE2 4.09Å; L285-F503 HydrophobicContact CG-CD2 4.06Å; L285-F503 HydrophobicContact CG-CE2 4.34Å; L285-F503 WeakPolarHBondContact O-CD2 3.38Å; L286-F503 HydrophobicContact CD2-CB 4Å; L314-F503 HydrophobicContact CD2-CE2 3.91Å; L314-F503 HydrophobicContact CD2-CZ 3.94Å; F442-F503 AromaticContact CE1-CD1 3.75Å; F442-F503 HydrophobicContact CE1-CD1 3.75Å; F442-F503 HydrophobicContact CE1-CD2 4.2Å; F442-F503 AromaticContact CE1-CE1 3.82Å; F442-F503 HydrophobicContact CE1-CE1 3.82Å; F442-F503 HydrophobicContact CE1-CE2 4.29Å; F442-F503 AromaticContact CE1-CG 3.94Å; F442-F503 HydrophobicContact CE1-CG 3.94Å; F442-F503 HydrophobicContact CE1-CZ 4.11Å; F442-F503 HydrophobicContact CZ-CB 3.87Å; F442-F503 AromaticContact CZ-CD1 3.65Å; F442-F503 HydrophobicContact CZ-CD1 3.65Å; F442-F503 HydrophobicContact CZ-CD2 4.24Å; F442-F503 HydrophobicContact CZ-CE1 4.21Å; F442-F503 AromaticContact CZ-CG 3.66Å; F442-F503 HydrophobicContact CZ-CG 3.66Å; L446-F503 HydrophobicContact CD1-CD1 4.33Å; L446-F503 HydrophobicContact CD1-CE1 3.84Å; L499-F503 WeakPolarHBondContact O-CB 3.4Å; L499-F503 PolarHBondContact O-N 3.04Å; Y500-F503 WeakPolarHBondContact O-CB 3.49Å; Y500-F503 PolarHBondContact O-N 3.47Å; Y500-F503 VanDerWaalsContact O-N 3.08Å; F503-R505 PolarHBondContact O-N 3.17Å; F503-S506 WeakPolarHBondContact CD2-OG 3.43Å; F503-S506 VanDerWaalsContact O-CB 3.26Å; F503-S506 WeakPolarHBondContact O-CB 3.29Å; F503-S506 PolarHBondContact O-N 3.31Å; F503-S506 PolarHBondContact O-OG 2.95Å; F503-N508 HydrophobicContact CE2-CB 3.79Å; F503-F509 HydrophobicContact CD1-CB 3.95Å; F503-F509 HydrophobicContact CD1-CD2 4.04Å; F503-F509 HydrophobicContact CD1-CG 4.36Å; F503-F509 HydrophobicContact CD2-CB 4.46Å; F503-F509 HydrophobicContact CE1-CB 3.71Å; F503-F509 AromaticContact CE1-CD2 3.66Å; F503-F509 HydrophobicContact CE1-CD2 3.66Å; F503-F509 HydrophobicContact CE1-CG 4.15Å; F503-F509 HydrophobicContact CE2-CB 4.24Å; F503-F509 HydrophobicContact CG-CB 4.33Å; F503-F509 HydrophobicContact CZ-CB 3.86Å; F503-F509 HydrophobicContact CZ-CD2 4.45Å; F503-F509 WeakPolarHBondContact O-CB 3.47Å
504	F	97.9	Very high	96.5	Very high	13 Å²	13	48.6 Å²	48.6	6%	0.057	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-16.3	177.1	-64.2	-32.7	0	0	0	114.9	L446 F472 Q474 F477 I478 Y500 R502 F509	L446-F504 HydrophobicContact CD2-CE1 3.75Å; L446-F504 HydrophobicContact CD2-CZ 4.11Å; F472-F504 AromaticContact CE1-CE1 3.96Å; F472-F504 HydrophobicContact CE1-CE1 3.96Å; F472-F504 AromaticContact CE1-CZ 3.93Å; F472-F504 HydrophobicContact CE1-CZ 3.93Å; F472-F504 AromaticContact CZ-CE1 3.85Å; F472-F504 HydrophobicContact CZ-CE1 3.85Å; F472-F504 AromaticContact CZ-CZ 3.89Å; F472-F504 HydrophobicContact CZ-CZ 3.89Å; Q474-F504 HydrophobicContact CB-CD2 4.01Å; Q474-F504 HydrophobicContact CB-CE2 4.07Å; Q474-F504 HydrophobicContact CG-CB 4.47Å; Q474-F504 HydrophobicContact CG-CD2 3.7Å; Q474-F504 HydrophobicContact CG-CE2 4.07Å; Q474-F504 HydrophobicContact CG-CG 4.11Å; F477-F504 AromaticContact CD1-CE2 3.95Å; F477-F504 HydrophobicContact CD1-CE2 3.95Å; F477-F504 AromaticContact CD1-CZ 3.41Å; F477-F504 HydrophobicContact CD1-CZ 3.41Å; F477-F504 VanDerWaalsContact CD1-CZ 3.41Å; F477-F504 HydrophobicContact CE1-CE2 4.4Å; F477-F504 AromaticContact CE1-CZ 3.67Å; F477-F504 HydrophobicContact CE1-CZ 3.67Å; F477-F504 HydrophobicContact CG-CZ 4.21Å; I478-F504 HydrophobicContact CD1-CE2 4.13Å; I478-F504 HydrophobicContact CG1-CE2 4.29Å; Y500-F504 WeakPolarHBondContact O-CD2 3.39Å; Y500-F504 WeakPolarHBondContact O-CG 3.46Å; Y500-F504 PolarHBondContact O-N 2.92Å; R502-F504 VanDerWaalsContact C-N 3.34Å; R502-F504 PolarHBondContact O-N 3.02Å; F504-F509 HydrophobicContact CB-CD1 4.32Å; F504-F509 HydrophobicContact CB-CE1 4.44Å; F504-F509 HydrophobicContact CD1-CD1 4.1Å; F504-F509 AromaticContact CD1-CD2 3.57Å; F504-F509 HydrophobicContact CD1-CD2 3.57Å; F504-F509 AromaticContact CD1-CE1 3.99Å; F504-F509 HydrophobicContact CD1-CE1 3.99Å; F504-F509 AromaticContact CD1-CE2 3.43Å; F504-F509 HydrophobicContact CD1-CE2 3.43Å; F504-F509 VanDerWaalsContact CD1-CE2 3.43Å; F504-F509 AromaticContact CD1-CG 3.89Å; F504-F509 HydrophobicContact CD1-CG 3.89Å; F504-F509 AromaticContact CD1-CZ 3.66Å; F504-F509 HydrophobicContact CD1-CZ 3.66Å; F504-F509 AromaticContact CE1-CD2 3.97Å; F504-F509 HydrophobicContact CE1-CD2 3.97Å; F504-F509 AromaticContact CE1-CE2 3.57Å; F504-F509 HydrophobicContact CE1-CE2 3.57Å; F504-F509 HydrophobicContact CE1-CZ 4.03Å; F504-F509 WeakPolarHBondContact O-CD1 3.29Å
505	R	96.5	Very high	96.4	Very high	199 Å²	199	48.8 Å²	48.8	75%	0.751	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-0.9	175.2	-55.8	-179.4	-174.8	-177.8	0.2	112.8	R502 F503	R502-R505 PolarHBondContact O-N 3.33Å; R502-R505 VanDerWaalsContact O-N 3.13Å; F503-R505 PolarHBondContact O-N 3.17Å
506	S	96.9	Very high	96.3	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.063	21%	0.212	C	C	.	.	S	Bend	trans	-90.1	152.6	-176	74.7	0	0	0	0	112.1	L286 F503 N508 F509 D510	L286-S506 WeakPolarHBondContact O-CB 3.23Å; F503-S506 WeakPolarHBondContact CD2-OG 3.43Å; F503-S506 VanDerWaalsContact O-CB 3.26Å; F503-S506 WeakPolarHBondContact O-CB 3.29Å; F503-S506 PolarHBondContact O-N 3.31Å; F503-S506 PolarHBondContact O-OG 2.95Å; S506-N508 PolarHBondContact O-N 3.08Å; S506-F509 PolarHBondContact O-N 3.45Å; S506-F509 PolarHBondContact OG-N 3.01Å; S506-D510 PolarHBondContact O-N 2.95Å
507	P	96.7	Very high	96.2	Very high	38 Å²	38	50.9 Å²	50.9	25%	0.247	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-27.4	171.1	-21.7	32.9	0	0	0	113.3	N343 D510 G511	N343-P507 HydrophobicContact CB-CG 4Å; P507-D510 PolarHBondContact O-N 3.37Å; P507-G511 PolarHBondContact O-N 3.43Å
508	N	97.6	Very high	95.9	Very high	0 Å²	0	55 Å²	55	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-38.7	177.2	-68.9	-24.1	0	0	0	112	M284 L285 L314 C317 F503 S506 W512	M284-N508 PolarHBondContact O-ND2 3.14Å; L285-N508 PolarHBondContact O-ND2 2.94Å; L314-N508 HydrophobicContact CD2-CB 4.49Å; C317-N508 PolarHBondContact N-OD1 3.1Å; F503-N508 HydrophobicContact CE2-CB 3.79Å; S506-N508 PolarHBondContact O-N 3.08Å; N508-W512 VanDerWaalsContact O-CB 3.23Å; N508-W512 WeakPolarHBondContact O-CB 3.42Å; N508-W512 PolarHBondContact O-N 3.04Å
509	F	97.8	Very high	95.6	Very high	19 Å²	19	57.6 Å²	57.6	8%	0.083	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-46.2	173.3	173.6	-107.9	0	0	0	111.6	F472 F503 F504 S506 G511 W512 Y513	F472-F509 HydrophobicContact CD1-CZ 4.13Å; F472-F509 HydrophobicContact CE1-CE2 4.37Å; F472-F509 AromaticContact CE1-CZ 3.98Å; F472-F509 HydrophobicContact CE1-CZ 3.98Å; F472-F509 HydrophobicContact CZ-CE2 4.23Å; F472-F509 HydrophobicContact CZ-CZ 4.28Å; F503-F509 HydrophobicContact CD1-CB 3.95Å; F503-F509 HydrophobicContact CD1-CD2 4.04Å; F503-F509 HydrophobicContact CD1-CG 4.36Å; F503-F509 HydrophobicContact CD2-CB 4.46Å; F503-F509 HydrophobicContact CE1-CB 3.71Å; F503-F509 AromaticContact CE1-CD2 3.66Å; F503-F509 HydrophobicContact CE1-CD2 3.66Å; F503-F509 HydrophobicContact CE1-CG 4.15Å; F503-F509 HydrophobicContact CE2-CB 4.24Å; F503-F509 HydrophobicContact CG-CB 4.33Å; F503-F509 HydrophobicContact CZ-CB 3.86Å; F503-F509 HydrophobicContact CZ-CD2 4.45Å; F503-F509 WeakPolarHBondContact O-CB 3.47Å; F504-F509 HydrophobicContact CB-CD1 4.32Å; F504-F509 HydrophobicContact CB-CE1 4.44Å; F504-F509 HydrophobicContact CD1-CD1 4.1Å; F504-F509 AromaticContact CD1-CD2 3.57Å; F504-F509 HydrophobicContact CD1-CD2 3.57Å; F504-F509 AromaticContact CD1-CE1 3.99Å; F504-F509 HydrophobicContact CD1-CE1 3.99Å; F504-F509 AromaticContact CD1-CE2 3.43Å; F504-F509 HydrophobicContact CD1-CE2 3.43Å; F504-F509 VanDerWaalsContact CD1-CE2 3.43Å; F504-F509 AromaticContact CD1-CG 3.89Å; F504-F509 HydrophobicContact CD1-CG 3.89Å; F504-F509 AromaticContact CD1-CZ 3.66Å; F504-F509 HydrophobicContact CD1-CZ 3.66Å; F504-F509 AromaticContact CE1-CD2 3.97Å; F504-F509 HydrophobicContact CE1-CD2 3.97Å; F504-F509 AromaticContact CE1-CE2 3.57Å; F504-F509 HydrophobicContact CE1-CE2 3.57Å; F504-F509 HydrophobicContact CE1-CZ 4.03Å; F504-F509 WeakPolarHBondContact O-CD1 3.29Å; S506-F509 PolarHBondContact O-N 3.45Å; S506-F509 PolarHBondContact OG-N 3.01Å; F509-G511 VanDerWaalsContact C-N 3.35Å; F509-G511 PolarHBondContact O-N 3.13Å; F509-W512 AromaticContact CD2-CE3 3.85Å; F509-W512 HydrophobicContact CD2-CE3 3.85Å; F509-W512 HydrophobicContact CD2-CZ3 4.1Å; F509-W512 AromaticContact CE2-CE3 3.9Å; F509-W512 HydrophobicContact CE2-CE3 3.9Å; F509-W512 AromaticContact CE2-CZ3 3.69Å; F509-W512 HydrophobicContact CE2-CZ3 3.69Å; F509-W512 PolarHBondContact O-N 3.18Å; F509-Y513 HydrophobicContact CZ-CG 4.48Å; F509-Y513 VanDerWaalsContact O-CB 3.22Å; F509-Y513 WeakPolarHBondContact O-CB 3.29Å; F509-Y513 PolarHBondContact O-N 2.79Å
510	D	96.8	Very high	95.3	Very high	64 Å²	64	58.7 Å²	58.7	34%	0.342	25%	0.248	S	C	.	.	H	α-helix	trans	-58.3	-47.3	178.4	176	67.2	0	0	0	111.5	S506 P507 Y513 R514	S506-D510 PolarHBondContact O-N 2.95Å; P507-D510 PolarHBondContact O-N 3.37Å; D510-Y513 PolarHBondContact O-N 3.44Å; D510-R514 VanDerWaalsContact CG-NE 3.27Å; D510-R514 VanDerWaalsContact CG-NH2 3.3Å; D510-R514 WeakPolarHBondContact O-CB 3.44Å; D510-R514 VanDerWaalsContact O-CG 3.27Å; D510-R514 WeakPolarHBondContact O-CG 3.22Å; D510-R514 PolarHBondContact O-N 3Å; D510-R514 IonicContact OD1-CZ 3.65Å; D510-R514 VanDerWaalsContact OD1-CZ 3.28Å; D510-R514 IonicContact OD1-NE 2.65Å; D510-R514 PolarHBondContact OD1-NE 2.65Å; D510-R514 IonicContact OD1-NH2 3.73Å; D510-R514 PolarHBondContact OD1-NH2 3.47Å; D510-R514 IonicContact OD2-CZ 3.93Å; D510-R514 IonicContact OD2-NE 3.62Å; D510-R514 PolarHBondContact OD2-NE 3.03Å; D510-R514 IonicContact OD2-NH1 3.99Å; D510-R514 IonicContact OD2-NH2 2.69Å; D510-R514 PolarHBondContact OD2-NH2 3.45Å
511	G	95.3	Very high	95	Very high	19 Å²	19	60.9 Å²	60.9	20%	0.196	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-46.4	176.7	0	0	0	0	0	113	P507 F509 Q515	P507-G511 PolarHBondContact O-N 3.43Å; F509-G511 VanDerWaalsContact C-N 3.35Å; F509-G511 PolarHBondContact O-N 3.13Å; G511-Q515 WeakPolarHBondContact O-CB 3.12Å; G511-Q515 PolarHBondContact O-N 3.41Å
512	W	95.8	Very high	94.5	Very high	10 Å²	10	58.1 Å²	58.1	4%	0.038	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-46.9	175.4	171.2	87.9	0	0	0	111.9	L314 L446 E447 M450 N508 F509 Q515 R516	L314-W512 HydrophobicContact CD1-CB 3.96Å; L314-W512 HydrophobicContact CD1-CG 3.93Å; L446-W512 HydrophobicContact CB-CH2 3.57Å; L446-W512 HydrophobicContact CB-CZ2 3.68Å; L446-W512 HydrophobicContact CB-CZ3 4.42Å; L446-W512 HydrophobicContact CD1-CH2 4.47Å; L446-W512 HydrophobicContact CD2-CH2 4.34Å; L446-W512 HydrophobicContact CG-CH2 4.35Å; E447-W512 HydrophobicContact CG-CZ2 4.49Å; M450-W512 HydrophobicContact CG-CH2 3.33Å; M450-W512 HydrophobicContact CG-CZ2 3.99Å; M450-W512 HydrophobicContact CG-CZ3 4.15Å; M450-W512 HydrophobicContact SD-CH2 4.08Å; M450-W512 HydrophobicContact SD-CZ3 4.32Å; N508-W512 VanDerWaalsContact O-CB 3.23Å; N508-W512 WeakPolarHBondContact O-CB 3.42Å; N508-W512 PolarHBondContact O-N 3.04Å; F509-W512 AromaticContact CD2-CE3 3.85Å; F509-W512 HydrophobicContact CD2-CE3 3.85Å; F509-W512 HydrophobicContact CD2-CZ3 4.1Å; F509-W512 AromaticContact CE2-CE3 3.9Å; F509-W512 HydrophobicContact CE2-CE3 3.9Å; F509-W512 AromaticContact CE2-CZ3 3.69Å; F509-W512 HydrophobicContact CE2-CZ3 3.69Å; F509-W512 PolarHBondContact O-N 3.18Å; W512-Q515 PolarHBondContact O-N 2.93Å; W512-R516 HydrophobicContact CD2-CG 4.21Å; W512-R516 HydrophobicContact CG-CG 4.45Å; W512-R516 HydrophobicContact CZ2-CG 4.06Å; W512-R516 WeakPolarHBondContact O-CG 3.4Å; W512-R516 PolarHBondContact O-N 3.26Å
513	Y	96.1	Very high	94.1	Very high	55 Å²	55	58.5 Å²	58.5	22%	0.216	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-47.6	-178	176.8	-110.2	0	0	0	111.1	M450 F472 F509 D510 Q515 R516 H517	M450-Y513 HydrophobicContact CE-CD2 3.97Å; M450-Y513 HydrophobicContact CE-CE2 3.87Å; M450-Y513 HydrophobicContact SD-CD2 3.83Å; M450-Y513 HydrophobicContact SD-CE2 3.81Å; F472-Y513 HydrophobicContact CB-CD2 4.33Å; F472-Y513 HydrophobicContact CB-CE2 3.57Å; F472-Y513 HydrophobicContact CD2-CE2 4.37Å; F472-Y513 HydrophobicContact CG-CE2 4.24Å; F509-Y513 HydrophobicContact CZ-CG 4.48Å; F509-Y513 VanDerWaalsContact O-CB 3.22Å; F509-Y513 WeakPolarHBondContact O-CB 3.29Å; F509-Y513 PolarHBondContact O-N 2.79Å; D510-Y513 PolarHBondContact O-N 3.44Å; Y513-Q515 VanDerWaalsContact C-N 3.3Å; Y513-Q515 PolarHBondContact O-N 3.08Å; Y513-R516 PolarHBondContact O-N 3.04Å; Y513-H517 WeakPolarHBondContact O-CB 3.38Å; Y513-H517 PolarHBondContact O-N 2.84Å
514	R	94.3	Very high	93.7	Very high	153 Å²	153	58.8 Å²	58.8	58%	0.577	26%	0.26	S	S	*	.	H	α-helix	trans	-59.8	-41.6	176.1	-72.3	178.4	-165.3	-165.9	8.3	111.9	D510 R518	D510-R514 VanDerWaalsContact CG-NE 3.27Å; D510-R514 VanDerWaalsContact CG-NH2 3.3Å; D510-R514 WeakPolarHBondContact O-CB 3.44Å; D510-R514 VanDerWaalsContact O-CG 3.27Å; D510-R514 WeakPolarHBondContact O-CG 3.22Å; D510-R514 PolarHBondContact O-N 3Å; D510-R514 IonicContact OD1-CZ 3.65Å; D510-R514 VanDerWaalsContact OD1-CZ 3.28Å; D510-R514 IonicContact OD1-NE 2.65Å; D510-R514 PolarHBondContact OD1-NE 2.65Å; D510-R514 IonicContact OD1-NH2 3.73Å; D510-R514 PolarHBondContact OD1-NH2 3.47Å; D510-R514 IonicContact OD2-CZ 3.93Å; D510-R514 IonicContact OD2-NE 3.62Å; D510-R514 PolarHBondContact OD2-NE 3.03Å; D510-R514 IonicContact OD2-NH1 3.99Å; D510-R514 IonicContact OD2-NH2 2.69Å; D510-R514 PolarHBondContact OD2-NH2 3.45Å; R514-R518 VanDerWaalsContact O-CB 3.29Å; R514-R518 WeakPolarHBondContact O-CB 3.47Å; R514-R518 PolarHBondContact O-N 2.92Å
515	Q	91.4	Very high	93.2	Very high	39 Å²	39	60 Å²	60	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-51.5	176.7	-180	177.4	-12	0	0	110.8	G511 W512 Y513 R518 E519	G511-Q515 WeakPolarHBondContact O-CB 3.12Å; G511-Q515 PolarHBondContact O-N 3.41Å; W512-Q515 PolarHBondContact O-N 2.93Å; Y513-Q515 VanDerWaalsContact C-N 3.3Å; Y513-Q515 PolarHBondContact O-N 3.08Å; Q515-R518 WeakPolarHBondContact O-CB 3.4Å; Q515-R518 PolarHBondContact O-N 3.4Å; Q515-E519 WeakPolarHBondContact CG-OE1 3.37Å; Q515-E519 PolarHBondContact NE2-OE1 2.85Å; Q515-E519 WeakPolarHBondContact O-CG 3.47Å; Q515-E519 PolarHBondContact O-N 2.91Å
516	R	93	Very high	92.8	Very high	76 Å²	76	50.7 Å²	50.7	29%	0.287	23%	0.231	S	C	.	.	H	α-helix	trans	-66	-40.7	-178.6	-65.5	-46.5	-177.3	129.6	8.9	113	E447 M450 W512 Y513 R518 E519 M520	E447-R516 IonicContact OE1-CZ 2.74Å; E447-R516 IonicContact OE1-NH1 2.8Å; E447-R516 IonicContact OE1-NH2 3.87Å; E447-R516 PolarHBondContact OE1-NH2 2.73Å; M450-R516 HydrophobicContact CE-CB 3.92Å; W512-R516 HydrophobicContact CD2-CG 4.21Å; W512-R516 HydrophobicContact CG-CG 4.45Å; W512-R516 HydrophobicContact CZ2-CG 4.06Å; W512-R516 WeakPolarHBondContact O-CG 3.4Å; W512-R516 PolarHBondContact O-N 3.26Å; Y513-R516 PolarHBondContact O-N 3.04Å; R516-R518 VanDerWaalsContact C-N 3.3Å; R516-R518 PolarHBondContact O-N 3.15Å; R516-E519 WeakPolarHBondContact CD-OE2 3.41Å; R516-E519 IonicContact CZ-OE2 2.67Å; R516-E519 IonicContact NE-OE2 3.33Å; R516-E519 IonicContact NH1-OE2 3.62Å; R516-E519 PolarHBondContact O-N 2.99Å; R516-M520 WeakPolarHBondContact O-CB 3.47Å; R516-M520 VanDerWaalsContact O-CG 3.28Å; R516-M520 WeakPolarHBondContact O-CG 3.37Å; R516-M520 PolarHBondContact O-N 3.28Å
517	H	92.8	Very high	92.4	Very high	63 Å²	63	51.4 Å²	51.4	29%	0.292	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-40.9	174.4	-172	-79.3	0	0	0	111.5	Y513 M520 T521	Y513-H517 WeakPolarHBondContact O-CB 3.38Å; Y513-H517 PolarHBondContact O-N 2.84Å; H517-M520 PolarHBondContact O-N 3.33Å; H517-T521 PolarHBondContact CE1-OG1 3.44Å; H517-T521 PolarHBondContact ND1-OG1 2.75Å; H517-T521 WeakPolarHBondContact O-CB 3.44Å; H517-T521 PolarHBondContact O-N 2.8Å; H517-T521 PolarHBondContact O-OG1 3.27Å
518	R	90.5	Very high	92	Very high	161 Å²	161	49.8 Å²	49.8	61%	0.608	22%	0.223	S	C	*	.	H	α-helix	trans	-62.1	-49.1	174.3	-174.2	-170.2	-56.5	173.6	1.8	111.6	R514 Q515 R516 M520 T521 Q522	R514-R518 VanDerWaalsContact O-CB 3.29Å; R514-R518 WeakPolarHBondContact O-CB 3.47Å; R514-R518 PolarHBondContact O-N 2.92Å; Q515-R518 WeakPolarHBondContact O-CB 3.4Å; Q515-R518 PolarHBondContact O-N 3.4Å; R516-R518 VanDerWaalsContact C-N 3.3Å; R516-R518 PolarHBondContact O-N 3.15Å; R518-M520 VanDerWaalsContact C-N 3.33Å; R518-M520 PolarHBondContact O-N 3.41Å; R518-T521 PolarHBondContact O-N 2.73Å; R518-Q522 HydrophobicContact CG-CG 4.45Å; R518-Q522 WeakPolarHBondContact O-CB 3.37Å; R518-Q522 VanDerWaalsContact O-CG 3.31Å; R518-Q522 WeakPolarHBondContact O-CG 3.28Å; R518-Q522 PolarHBondContact O-N 2.94Å
519	E	89.6	Confident	91.4	Very high	64 Å²	64	50 Å²	50	30%	0.299	22%	0.224	S	C	.	.	H	α-helix	trans	-58	-44.4	178.1	-71.9	170.1	-175	0	0	111.5	Q515 R516 Q522 K523	Q515-E519 WeakPolarHBondContact CG-OE1 3.37Å; Q515-E519 PolarHBondContact NE2-OE1 2.85Å; Q515-E519 WeakPolarHBondContact O-CG 3.47Å; Q515-E519 PolarHBondContact O-N 2.91Å; R516-E519 WeakPolarHBondContact CD-OE2 3.41Å; R516-E519 IonicContact CZ-OE2 2.67Å; R516-E519 IonicContact NE-OE2 3.33Å; R516-E519 IonicContact NH1-OE2 3.62Å; R516-E519 PolarHBondContact O-N 2.99Å; E519-Q522 PolarHBondContact O-N 3.19Å; E519-K523 WeakPolarHBondContact O-CB 3.22Å; E519-K523 PolarHBondContact O-N 3.05Å
520	M	91.6	Very high	91	Very high	23 Å²	23	51 Å²	51	11%	0.113	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-42.9	176.6	-72.5	167.4	70.8	0	0	112.6	M450 L453 M454 V469 R516 H517 R518 K523 L524	M450-M520 HydrophobicContact CB-SD 4.25Å; M450-M520 HydrophobicContact CE-CE 4.41Å; M450-M520 HydrophobicContact CE-SD 3.45Å; M450-M520 WeakPolarHBondContact CE-SD 3.48Å; M450-M520 WeakPolarHBondContact O-CE 3.35Å; L453-M520 HydrophobicContact CB-CE 4.31Å; M454-M520 HydrophobicContact CG-CE 3.67Å; M454-M520 HydrophobicContact SD-CB 3.7Å; M454-M520 HydrophobicContact SD-CE 3.51Å; M454-M520 VanDerWaalsContact SD-CE 3.51Å; M454-M520 HydrophobicContact SD-CG 3.84Å; V469-M520 HydrophobicContact CG1-CE 3.39Å; V469-M520 HydrophobicContact CG1-SD 4.44Å; V469-M520 HydrophobicContact CG2-CB 4.04Å; V469-M520 HydrophobicContact CG2-CE 4.31Å; R516-M520 WeakPolarHBondContact O-CB 3.47Å; R516-M520 VanDerWaalsContact O-CG 3.28Å; R516-M520 WeakPolarHBondContact O-CG 3.37Å; R516-M520 PolarHBondContact O-N 3.28Å; H517-M520 PolarHBondContact O-N 3.33Å; R518-M520 VanDerWaalsContact C-N 3.33Å; R518-M520 PolarHBondContact O-N 3.41Å; M520-K523 PolarHBondContact O-N 3.29Å; M520-L524 WeakPolarHBondContact O-CB 3.44Å; M520-L524 PolarHBondContact O-N 3.49Å
521	T	90.4	Very high	90.5	Very high	46 Å²	46	49.7 Å²	49.7	28%	0.282	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-46.3	177.4	-56.5	0	0	0	0	110.7	H517 R518 K523 L524 E525	H517-T521 PolarHBondContact CE1-OG1 3.44Å; H517-T521 PolarHBondContact ND1-OG1 2.75Å; H517-T521 WeakPolarHBondContact O-CB 3.44Å; H517-T521 PolarHBondContact O-N 2.8Å; H517-T521 PolarHBondContact O-OG1 3.27Å; R518-T521 PolarHBondContact O-N 2.73Å; T521-K523 VanDerWaalsContact C-N 3.31Å; T521-K523 PolarHBondContact O-N 2.91Å; T521-L524 WeakPolarHBondContact O-CB 3.33Å; T521-L524 PolarHBondContact O-N 2.9Å; T521-L524 VanDerWaalsContact O-N 3.15Å; T521-E525 WeakPolarHBondContact O-CG 3.42Å; T521-E525 PolarHBondContact O-N 3.16Å
522	Q	87.9	Confident	90.1	Very high	63 Å²	63	48.9 Å²	48.9	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-61.3	-39.4	175.8	-73.9	178.9	-29.8	0	0	111.9	R518 E519 L524 E525 S526 L568	R518-Q522 HydrophobicContact CG-CG 4.45Å; R518-Q522 WeakPolarHBondContact O-CB 3.37Å; R518-Q522 VanDerWaalsContact O-CG 3.31Å; R518-Q522 WeakPolarHBondContact O-CG 3.28Å; R518-Q522 PolarHBondContact O-N 2.94Å; E519-Q522 PolarHBondContact O-N 3.19Å; Q522-L524 VanDerWaalsContact C-N 3.3Å; Q522-L524 PolarHBondContact O-N 2.96Å; Q522-E525 PolarHBondContact O-N 3.42Å; Q522-S526 WeakPolarHBondContact O-CB 3.45Å; Q522-S526 PolarHBondContact O-N 3.14Å; Q522-L568 HydrophobicContact CB-CD2 3.61Å; Q522-L568 HydrophobicContact CG-CD2 3.69Å
523	K	88.9	Confident	89.6	Confident	114 Å²	114	49 Å²	49	50%	0.496	22%	0.216	S	C	.	.	H	α-helix	trans	-64.1	-37.6	176	-175.5	57.8	-178.5	170.8	0	112	E519 M520 T521 S526 L527	E519-K523 WeakPolarHBondContact O-CB 3.22Å; E519-K523 PolarHBondContact O-N 3.05Å; M520-K523 PolarHBondContact O-N 3.29Å; T521-K523 VanDerWaalsContact C-N 3.31Å; T521-K523 PolarHBondContact O-N 2.91Å; K523-S526 PolarHBondContact O-N 3.43Å; K523-L527 WeakPolarHBondContact O-CB 3.47Å; K523-L527 PolarHBondContact O-N 3.05Å
524	L	89.6	Confident	89.1	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-71.2	-38.6	177.8	-170.4	57.8	0	0	0	112.5	P455 V460 P466 P467 M520 T521 Q522 L527 H528	P455-L524 HydrophobicContact CG-CD2 4.14Å; V460-L524 HydrophobicContact CG2-CD1 3.54Å; P466-L524 HydrophobicContact CB-CG 4.26Å; P467-L524 HydrophobicContact CG-CD1 4.31Å; P467-L524 HydrophobicContact CG-CD2 4.33Å; P467-L524 WeakPolarHBondContact O-CD2 3.07Å; M520-L524 WeakPolarHBondContact O-CB 3.44Å; M520-L524 PolarHBondContact O-N 3.49Å; T521-L524 WeakPolarHBondContact O-CB 3.33Å; T521-L524 PolarHBondContact O-N 2.9Å; T521-L524 VanDerWaalsContact O-N 3.15Å; Q522-L524 VanDerWaalsContact C-N 3.3Å; Q522-L524 PolarHBondContact O-N 2.96Å; L524-L527 PolarHBondContact O-N 3.29Å; L524-H528 WeakPolarHBondContact O-CB 3.49Å; L524-H528 PolarHBondContact O-N 3.48Å
525	E	87.3	Confident	88.7	Confident	39 Å²	39	46.8 Å²	46.8	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-43.5	172	-71.5	-180	160.4	0	0	111.3	T521 Q522 H528 L529 K562 Q566 L568	T521-E525 WeakPolarHBondContact O-CG 3.42Å; T521-E525 PolarHBondContact O-N 3.16Å; Q522-E525 PolarHBondContact O-N 3.42Å; E525-H528 PolarHBondContact O-N 3.24Å; E525-L529 WeakPolarHBondContact O-CG 3.49Å; E525-L529 PolarHBondContact O-N 2.94Å; E525-K562 IonicContact OE1-NZ 3.39Å; E525-K562 PolarHBondContact OE1-NZ 2.97Å; E525-K562 IonicContact OE2-NZ 3.5Å; E525-Q566 PolarHBondContact OE2-OE1 3.09Å; E525-L568 HydrophobicContact CB-CD1 3.89Å
526	S	88	Confident	88.2	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-50.4	173.3	160.6	0	0	0	0	111.8	Q522 K523 H528 L529 E530 Q569	Q522-S526 WeakPolarHBondContact O-CB 3.45Å; Q522-S526 PolarHBondContact O-N 3.14Å; K523-S526 PolarHBondContact O-N 3.43Å; S526-H528 VanDerWaalsContact C-N 3.31Å; S526-H528 PolarHBondContact O-N 3.2Å; S526-L529 WeakPolarHBondContact O-CB 3.46Å; S526-L529 PolarHBondContact O-N 3.42Å; S526-E530 WeakPolarHBondContact O-CG 3.48Å; S526-E530 PolarHBondContact O-N 2.67Å; S526-Q569 WeakPolarHBondContact CB-O 3.36Å; S526-Q569 PolarHBondContact OG-O 3.38Å
527	L	88.4	Confident	87.5	Confident	25 Å²	25	46.9 Å²	46.9	13%	0.131	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-38.3	178.1	175.3	61.6	0	0	0	112.5	Q457 V460 K523 L524 E530 T531	Q457-L527 HydrophobicContact CB-CD2 4.25Å; Q457-L527 HydrophobicContact CG-CD1 4.04Å; Q457-L527 HydrophobicContact CG-CD2 3.81Å; Q457-L527 HydrophobicContact CG-CG 4.49Å; V460-L527 HydrophobicContact CB-CD2 4.34Å; V460-L527 HydrophobicContact CB-CG 4.46Å; V460-L527 HydrophobicContact CG1-CG 4.32Å; V460-L527 HydrophobicContact CG2-CD2 3.76Å; V460-L527 HydrophobicContact CG2-CG 4.32Å; K523-L527 WeakPolarHBondContact O-CB 3.47Å; K523-L527 PolarHBondContact O-N 3.05Å; L524-L527 PolarHBondContact O-N 3.29Å; L527-E530 PolarHBondContact O-N 3.04Å; L527-T531 PolarHBondContact O-N 3.04Å; L527-T531 PolarHBondContact O-OG1 3.31Å
528	H	88.5	Confident	86.8	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.019	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-38.7	177.1	178.9	69.1	0	0	0	112.3	V460 T461 P462 K464 P466 L524 E525 S526 T531 I532 K559	V460-H528 HydrophobicContact CG1-CB 3.76Å; T461-H528 PolarHBondContact O-CE1 3.36Å; T461-H528 PolarHBondContact O-ND1 3.28Å; T461-H528 VanDerWaalsContact O-ND1 3.14Å; P462-H528 PolarHBondContact O-CE1 3.32Å; K464-H528 PolarHBondContact O-CE1 3.48Å; P466-H528 HydrophobicContact CB-CB 4.44Å; P466-H528 HydrophobicContact CG-CB 3.93Å; L524-H528 WeakPolarHBondContact O-CB 3.49Å; L524-H528 PolarHBondContact O-N 3.48Å; E525-H528 PolarHBondContact O-N 3.24Å; S526-H528 VanDerWaalsContact C-N 3.31Å; S526-H528 PolarHBondContact O-N 3.2Å; H528-T531 PolarHBondContact O-N 2.97Å; H528-I532 WeakPolarHBondContact NE2-CD1 3.44Å; H528-I532 WeakPolarHBondContact O-CG1 3.34Å; H528-I532 PolarHBondContact O-N 2.92Å; H528-K559 PolarHBondContact CD2-NZ 3.46Å; H528-K559 PolarHBondContact NE2-NZ 2.91Å
529	L	86.6	Confident	86.3	Confident	5 Å²	5	40.1 Å²	40.1	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-43	173.6	-73.9	169.7	0	0	0	111.9	E525 S526 T531 I532 C533 K559 A563 L568 V570 V574 L578	E525-L529 WeakPolarHBondContact O-CG 3.49Å; E525-L529 PolarHBondContact O-N 2.94Å; S526-L529 WeakPolarHBondContact O-CB 3.46Å; S526-L529 PolarHBondContact O-N 3.42Å; L529-T531 VanDerWaalsContact C-N 3.33Å; L529-T531 PolarHBondContact O-N 2.99Å; L529-I532 PolarHBondContact O-N 3.48Å; L529-C533 PolarHBondContact O-N 2.81Å; L529-C533 PolarHBondContact O-SG 2.92Å; L529-K559 HydrophobicContact CD2-CB 4.18Å; L529-A563 HydrophobicContact CD1-CB 3.77Å; L529-L568 HydrophobicContact CD1-CD1 3.9Å; L529-V570 HydrophobicContact CD1-CG1 4.22Å; L529-V574 HydrophobicContact CB-CG1 4.35Å; L529-L578 HydrophobicContact CD2-CD2 3.94Å
530	E	87.8	Confident	85.9	Confident	40 Å²	40	40.6 Å²	40.6	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-47.2	173.5	-69.2	178.4	171.7	0	0	110.7	S526 L527 I532 C533 D534 V574	S526-E530 WeakPolarHBondContact O-CG 3.48Å; S526-E530 PolarHBondContact O-N 2.67Å; L527-E530 PolarHBondContact O-N 3.04Å; E530-I532 VanDerWaalsContact C-N 3.31Å; E530-I532 PolarHBondContact O-N 2.96Å; E530-C533 PolarHBondContact O-N 3.39Å; E530-C533 VanDerWaalsContact O-N 3.14Å; E530-D534 PolarHBondContact O-N 2.96Å; E530-V574 HydrophobicContact CG-CG2 4.23Å
531	T	87.8	Confident	85.4	Confident	35 Å²	35	40 Å²	40	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-35.4	179.5	-46.8	0	0	0	0	112.2	P462 L527 H528 L529 A535	P462-T531 HydrophobicContact CG-CG2 3.72Å; L527-T531 PolarHBondContact O-N 3.04Å; L527-T531 PolarHBondContact O-OG1 3.31Å; H528-T531 PolarHBondContact O-N 2.97Å; L529-T531 VanDerWaalsContact C-N 3.33Å; L529-T531 PolarHBondContact O-N 2.99Å; T531-A535 PolarHBondContact O-N 3.44Å
532	I	85.9	Confident	85	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-44.6	174.2	-72.2	166.1	0	0	0	111.1	P462 H528 L529 E530 D534 A535 L537 L556 K559 L578	P462-I532 HydrophobicContact CB-CG1 4.2Å; H528-I532 WeakPolarHBondContact NE2-CD1 3.44Å; H528-I532 WeakPolarHBondContact O-CG1 3.34Å; H528-I532 PolarHBondContact O-N 2.92Å; L529-I532 PolarHBondContact O-N 3.48Å; E530-I532 VanDerWaalsContact C-N 3.31Å; E530-I532 PolarHBondContact O-N 2.96Å; I532-D534 VanDerWaalsContact C-N 3.27Å; I532-D534 PolarHBondContact O-N 2.84Å; I532-A535 WeakPolarHBondContact O-CB 3.42Å; I532-A535 PolarHBondContact O-N 3.28Å; I532-A535 VanDerWaalsContact O-N 3.16Å; I532-L537 HydrophobicContact CG2-CD1 4.25Å; I532-L556 HydrophobicContact CD1-CD2 4.25Å; I532-L556 HydrophobicContact CG2-CD2 3.9Å; I532-K559 HydrophobicContact CD1-CD 4.27Å; I532-L578 HydrophobicContact CG2-CD1 4.17Å
533	C	84.6	Confident	84.7	Confident	11 Å²	11	49.9 Å²	49.9	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-69	-28.4	-177.7	-64.7	0	0	0	0	112.7	L529 E530 A535 V574	L529-C533 PolarHBondContact O-N 2.81Å; L529-C533 PolarHBondContact O-SG 2.92Å; E530-C533 PolarHBondContact O-N 3.39Å; E530-C533 VanDerWaalsContact O-N 3.14Å; C533-A535 VanDerWaalsContact C-N 3.29Å; C533-V574 HydrophobicContact CB-CG1 4.48Å; C533-V574 PolarHBondContact SG-O 2.81Å
534	D	85.8	Confident	84.5	Confident	144 Å²	144	47.9 Å²	47.9	77%	0.77	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-9	175.4	-67.5	-19.1	0	0	0	112.9	E530 I532	E530-D534 PolarHBondContact O-N 2.96Å; I532-D534 VanDerWaalsContact C-N 3.27Å; I532-D534 PolarHBondContact O-N 2.84Å
535	A	85.6	Confident	84.4	Confident	18 Å²	18	50.3 Å²	50.3	15%	0.149	26%	0.262	C	S	.	.	S	Bend	trans	-87.1	148.4	-178.2	0	0	0	0	0	112.7	P462 W463 T531 I532 C533 L537	P462-A535 HydrophobicContact CB-CB 3.8Å; P462-A535 HydrophobicContact CG-CB 3.6Å; W463-A535 HydrophobicContact CH2-CB 4.06Å; W463-A535 HydrophobicContact CZ2-CB 3.66Å; T531-A535 PolarHBondContact O-N 3.44Å; I532-A535 WeakPolarHBondContact O-CB 3.42Å; I532-A535 PolarHBondContact O-N 3.28Å; I532-A535 VanDerWaalsContact O-N 3.16Å; C533-A535 VanDerWaalsContact C-N 3.29Å; A535-L537 VanDerWaalsContact C-N 3.32Å; A535-L537 PolarHBondContact O-N 2.92Å
536	D	82.4	Confident	84.3	Confident	114 Å²	114	53.5 Å²	53.5	61%	0.61	28%	0.277	S	S	*	.			trans	-74.8	83.5	173.3	-176.3	12.1	0	0	0	111.3	M538 G539 W540	D536-M538 PolarHBondContact OD1-N 3.33Å; D536-G539 PolarHBondContact OD1-N 3.01Å; D536-G539 WeakPolarHBondContact OD2-CA 3.39Å; D536-W540 WeakPolarHBondContact O-CB 3.3Å; D536-W540 PolarHBondContact O-N 3.32Å; D536-W540 VanDerWaalsContact O-N 3.13Å
537	L	77.7	Confident	84.2	Confident	3 Å²	3	59 Å²	59	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-40.9	177.9	-77.6	148.6	0	0	0	112.6	W463 I532 A535 W540 T541 L552 L556 F581 I585	W463-L537 HydrophobicContact CH2-CD2 3.71Å; W463-L537 HydrophobicContact CH2-CG 3.94Å; W463-L537 HydrophobicContact CZ3-CD2 3.67Å; W463-L537 HydrophobicContact CZ3-CG 4.41Å; I532-L537 HydrophobicContact CG2-CD1 4.25Å; A535-L537 VanDerWaalsContact C-N 3.32Å; A535-L537 PolarHBondContact O-N 2.92Å; L537-W540 PolarHBondContact O-N 3.15Å; L537-T541 WeakPolarHBondContact O-CG2 3.41Å; L537-T541 PolarHBondContact O-N 3.36Å; L537-T541 VanDerWaalsContact O-N 3.11Å; L537-T541 PolarHBondContact O-OG1 2.94Å; L537-L552 HydrophobicContact CD2-CD2 4.2Å; L537-L556 HydrophobicContact CD2-CD1 4.18Å; L537-F581 HydrophobicContact CD1-CB 4.2Å; L537-F581 HydrophobicContact CD1-CD1 4.5Å; L537-F581 HydrophobicContact CD1-CD2 3.99Å; L537-F581 HydrophobicContact CD1-CE2 4.49Å; L537-F581 HydrophobicContact CD1-CG 4.01Å; L537-I585 HydrophobicContact CB-CD1 4.39Å; L537-I585 HydrophobicContact CD2-CD1 4.43Å
538	M	78.3	Confident	84	Confident	62 Å²	62	61.3 Å²	61.3	31%	0.305	32%	0.321	S	S	.	.	H	α-helix	trans	-71.6	-36.9	-178.2	-66.9	-57.1	-59.4	0	0	111.7	D536 T541 I585	D536-M538 PolarHBondContact OD1-N 3.33Å; M538-T541 WeakPolarHBondContact CA-OG1 3.18Å; M538-T541 PolarHBondContact O-OG1 2.85Å; M538-I585 HydrophobicContact SD-CG1 3.89Å
539	G	80.1	Confident	83.8	Confident	20 Å²	20	61.8 Å²	61.8	21%	0.206	32%	0.323	C	S	.	.	H	α-helix	trans	-61.8	-44.4	170.5	0	0	0	0	0	112	D536 T541 K542	D536-G539 PolarHBondContact OD1-N 3.01Å; D536-G539 WeakPolarHBondContact OD2-CA 3.39Å; G539-T541 VanDerWaalsContact C-N 3.32Å; G539-T541 PolarHBondContact O-N 2.95Å; G539-K542 PolarHBondContact O-N 3.32Å
540	W	80.1	Confident	83.7	Confident	74 Å²	74	63.1 Å²	63.1	28%	0.28	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-35.3	179.2	-172.6	90.2	0	0	0	113.4	W463 D536 L537 K542 K544 L552	W463-W540 AromaticContact CD2-CD1 3.92Å; W463-W540 HydrophobicContact CD2-CG 4.38Å; W463-W540 AromaticContact CD2-NE1 3.93Å; W463-W540 AromaticContact CE2-CD1 3.83Å; W463-W540 HydrophobicContact CE3-CD2 4.2Å; W463-W540 HydrophobicContact CE3-CG 4.23Å; W463-W540 HydrophobicContact CH2-CB 3.85Å; W463-W540 HydrophobicContact CH2-CD2 4.48Å; W463-W540 AromaticContact CH2-CG 3.94Å; W463-W540 HydrophobicContact CH2-CG 3.94Å; W463-W540 HydrophobicContact CZ2-CB 4Å; W463-W540 HydrophobicContact CZ2-CG 4.06Å; W463-W540 HydrophobicContact CZ3-CB 4.35Å; W463-W540 HydrophobicContact CZ3-CD2 4.09Å; W463-W540 HydrophobicContact CZ3-CG 4.01Å; D536-W540 WeakPolarHBondContact O-CB 3.3Å; D536-W540 PolarHBondContact O-N 3.32Å; D536-W540 VanDerWaalsContact O-N 3.13Å; L537-W540 PolarHBondContact O-N 3.15Å; W540-K542 VanDerWaalsContact C-N 3.3Å; W540-K542 PolarHBondContact O-N 2.76Å; W540-K544 HydrophobicContact CD2-CG 4.25Å; W540-K544 HydrophobicContact CE3-CG 3.96Å; W540-K544 HydrophobicContact CH2-CD 3.99Å; W540-K544 HydrophobicContact CH2-CG 3.97Å; W540-K544 HydrophobicContact CZ2-CD 4.09Å; W540-K544 VanDerWaalsContact CZ2-CE 3.48Å; W540-K544 HydrophobicContact CZ2-CG 4.26Å; W540-K544 HydrophobicContact CZ3-CB 4.45Å; W540-K544 HydrophobicContact CZ3-CD 4.34Å; W540-K544 HydrophobicContact CZ3-CG 3.8Å; W540-K544 VanDerWaalsContact O-CG 3.23Å; W540-K544 WeakPolarHBondContact O-CG 3.5Å; W540-L552 HydrophobicContact CE3-CD2 3.85Å; W540-L552 HydrophobicContact CZ3-CB 4.47Å; W540-L552 HydrophobicContact CZ3-CD2 3.64Å
541	T	81.9	Confident	83.6	Confident	11 Å²	11	64.7 Å²	64.7	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-71.4	-17.8	-178.8	48.3	0	0	0	0	114.7	L537 M538 G539 D543 K544 I549 L552 I585	L537-T541 WeakPolarHBondContact O-CG2 3.41Å; L537-T541 PolarHBondContact O-N 3.36Å; L537-T541 VanDerWaalsContact O-N 3.11Å; L537-T541 PolarHBondContact O-OG1 2.94Å; M538-T541 WeakPolarHBondContact CA-OG1 3.18Å; M538-T541 PolarHBondContact O-OG1 2.85Å; G539-T541 VanDerWaalsContact C-N 3.32Å; G539-T541 PolarHBondContact O-N 2.95Å; T541-D543 VanDerWaalsContact C-N 3.3Å; T541-D543 PolarHBondContact O-N 2.9Å; T541-K544 PolarHBondContact O-N 2.98Å; T541-I549 HydrophobicContact CG2-CG1 4.24Å; T541-I549 HydrophobicContact CG2-CG2 4.37Å; T541-L552 HydrophobicContact CG2-CD2 4.46Å; T541-I585 HydrophobicContact CG2-CG2 4.17Å
542	K	81.6	Confident	83.4	Confident	170 Å²	170	64 Å²	64	74%	0.739	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-30.4	-175.1	-70	-179.4	-177.7	177.9	0	113.8	G539 W540	G539-K542 PolarHBondContact O-N 3.32Å; W540-K542 VanDerWaalsContact C-N 3.3Å; W540-K542 PolarHBondContact O-N 2.76Å
543	D	82.1	Confident	83.4	Confident	146 Å²	146	63.9 Å²	63.9	78%	0.781	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	17.2	-173.2	-49.2	-32.4	0	0	0	111.8	T541	T541-D543 VanDerWaalsContact C-N 3.3Å; T541-D543 PolarHBondContact O-N 2.9Å
544	K	85.4	Confident	83.4	Confident	73 Å²	73	67.9 Å²	67.9	32%	0.317	36%	0.356	S	S	.	.	S	Bend	trans	-120.7	147.6	-168.5	-66.7	-67.5	179.5	-175.7	0	112.5	W540 T541 E548 I549	W540-K544 HydrophobicContact CD2-CG 4.25Å; W540-K544 HydrophobicContact CE3-CG 3.96Å; W540-K544 HydrophobicContact CH2-CD 3.99Å; W540-K544 HydrophobicContact CH2-CG 3.97Å; W540-K544 HydrophobicContact CZ2-CD 4.09Å; W540-K544 VanDerWaalsContact CZ2-CE 3.48Å; W540-K544 HydrophobicContact CZ2-CG 4.26Å; W540-K544 HydrophobicContact CZ3-CB 4.45Å; W540-K544 HydrophobicContact CZ3-CD 4.34Å; W540-K544 HydrophobicContact CZ3-CG 3.8Å; W540-K544 VanDerWaalsContact O-CG 3.23Å; W540-K544 WeakPolarHBondContact O-CG 3.5Å; T541-K544 PolarHBondContact O-N 2.98Å; K544-E548 HydrophobicContact CB-CB 4.35Å; K544-E548 HydrophobicContact CD-CB 4.46Å; K544-E548 WeakPolarHBondContact CD-OE1 3.29Å; K544-E548 WeakPolarHBondContact CD-OE2 3.44Å; K544-E548 IonicContact NZ-OE1 2.98Å; K544-E548 PolarHBondContact NZ-OE1 3.27Å; K544-I549 HydrophobicContact CB-CG1 4.1Å
545	S	87.1	Confident	83.4	Confident	58 Å²	58	65.9 Å²	65.9	41%	0.406	34%	0.34	S	S	.	.			trans	-70.6	153	175.1	61.9	0	0	0	0	111.3	V547 E548 I549	S545-V547 PolarHBondContact O-N 3.44Å; S545-E548 PolarHBondContact N-OE2 3.12Å; S545-E548 WeakPolarHBondContact O-CB 3.34Å; S545-E548 PolarHBondContact O-N 3Å; S545-E548 VanDerWaalsContact OG-CG 3.29Å; S545-E548 WeakPolarHBondContact OG-CG 3.38Å; S545-E548 PolarHBondContact OG-N 3.46Å; S545-E548 PolarHBondContact OG-OE2 3.44Å; S545-I549 WeakPolarHBondContact O-CG1 3.21Å; S545-I549 PolarHBondContact O-N 2.82Å
546	E	84.3	Confident	83.4	Confident	105 Å²	105	65.2 Å²	65.2	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-54.1	-37.8	177.5	-66.3	173.9	-179.5	0	0	112.2	I549 V550 L589 P590 L593	E546-I549 PolarHBondContact O-N 3.17Å; E546-V550 VanDerWaalsContact O-CG2 3.29Å; E546-V550 WeakPolarHBondContact O-CG2 3.42Å; E546-V550 PolarHBondContact O-N 3.35Å; E546-L589 HydrophobicContact CG-CD2 4.48Å; E546-P590 WeakPolarHBondContact OE1-CG 3.49Å; E546-L593 HydrophobicContact CB-CD1 4.45Å
547	V	85.9	Confident	83.6	Confident	117 Å²	117	62.5 Å²	62.5	71%	0.709	32%	0.315	S	S	*	.	H	α-helix	trans	-63.5	-42.3	177	-177.5	0	0	0	0	111.8	S545 I549 V550 D551	S545-V547 PolarHBondContact O-N 3.44Å; V547-I549 VanDerWaalsContact C-N 3.33Å; V547-V550 PolarHBondContact O-N 3.15Å; V547-D551 WeakPolarHBondContact O-CB 3.47Å; V547-D551 PolarHBondContact O-N 3.39Å
548	E	84.6	Confident	83.9	Confident	75 Å²	75	68.8 Å²	68.8	35%	0.35	34%	0.344	S	S	.	.	H	α-helix	trans	-65.8	-36.6	175.6	-73	170.1	110.7	0	0	111.7	K544 S545 L552	K544-E548 HydrophobicContact CB-CB 4.35Å; K544-E548 HydrophobicContact CD-CB 4.46Å; K544-E548 WeakPolarHBondContact CD-OE1 3.29Å; K544-E548 WeakPolarHBondContact CD-OE2 3.44Å; K544-E548 IonicContact NZ-OE1 2.98Å; K544-E548 PolarHBondContact NZ-OE1 3.27Å; S545-E548 PolarHBondContact N-OE2 3.12Å; S545-E548 WeakPolarHBondContact O-CB 3.34Å; S545-E548 PolarHBondContact O-N 3Å; S545-E548 VanDerWaalsContact OG-CG 3.29Å; S545-E548 WeakPolarHBondContact OG-CG 3.38Å; S545-E548 PolarHBondContact OG-N 3.46Å; S545-E548 PolarHBondContact OG-OE2 3.44Å; E548-L552 WeakPolarHBondContact O-CB 3.23Å; E548-L552 PolarHBondContact O-N 3.39Å
549	I	83.5	Confident	84.2	Confident	13 Å²	13	68.8 Å²	68.8	7%	0.067	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-43.4	177.2	-61.5	169.9	0	0	0	110.3	T541 K544 S545 E546 V547 L552 I553 I585 L589	T541-I549 HydrophobicContact CG2-CG1 4.24Å; T541-I549 HydrophobicContact CG2-CG2 4.37Å; K544-I549 HydrophobicContact CB-CG1 4.1Å; S545-I549 WeakPolarHBondContact O-CG1 3.21Å; S545-I549 PolarHBondContact O-N 2.82Å; E546-I549 PolarHBondContact O-N 3.17Å; V547-I549 VanDerWaalsContact C-N 3.33Å; I549-L552 WeakPolarHBondContact O-CB 3.42Å; I549-L552 PolarHBondContact O-N 3.43Å; I549-I553 HydrophobicContact CG2-CD1 4.2Å; I549-I553 WeakPolarHBondContact O-CG1 3.37Å; I549-I553 PolarHBondContact O-N 3.37Å; I549-I585 HydrophobicContact CG2-CG2 3.44Å; I549-I585 VanDerWaalsContact CG2-CG2 3.44Å; I549-L589 HydrophobicContact CB-CD2 4.24Å; I549-L589 HydrophobicContact CD1-CD2 4.32Å; I549-L589 HydrophobicContact CG2-CD1 4.17Å; I549-L589 HydrophobicContact CG2-CD2 3.88Å; I549-L589 HydrophobicContact CG2-CG 4.2Å
550	V	85.2	Confident	84.3	Confident	34 Å²	34	68.2 Å²	68.2	21%	0.206	34%	0.335	C	S	.	.	H	α-helix	trans	-62.3	-46.5	175.4	170.3	0	0	0	0	111.3	E546 V547 L552 I553 L554 L589 L597	E546-V550 VanDerWaalsContact O-CG2 3.29Å; E546-V550 WeakPolarHBondContact O-CG2 3.42Å; E546-V550 PolarHBondContact O-N 3.35Å; V547-V550 PolarHBondContact O-N 3.15Å; V550-L552 VanDerWaalsContact C-N 3.3Å; V550-L552 PolarHBondContact O-N 3.36Å; V550-I553 PolarHBondContact O-N 3.11Å; V550-I553 VanDerWaalsContact O-N 3.16Å; V550-L554 HydrophobicContact CG1-CD1 4.28Å; V550-L554 WeakPolarHBondContact O-CG 2.87Å; V550-L554 PolarHBondContact O-N 3.32Å; V550-L589 HydrophobicContact CG2-CD1 4.23Å; V550-L597 HydrophobicContact CG1-CD2 4.13Å; V550-L597 HydrophobicContact CG2-CD1 4.18Å
551	D	85	Confident	84.4	Confident	73 Å²	73	68.4 Å²	68.4	39%	0.39	34%	0.341	S	S	.	.	H	α-helix	trans	-60.1	-39.8	176.3	176.4	58.4	0	0	0	112	V547 L554 K555	V547-D551 WeakPolarHBondContact O-CB 3.47Å; V547-D551 PolarHBondContact O-N 3.39Å; D551-L554 PolarHBondContact O-N 3.13Å; D551-K555 WeakPolarHBondContact O-CB 3.38Å; D551-K555 WeakPolarHBondContact O-CG 3.33Å; D551-K555 PolarHBondContact O-N 3.14Å; D551-K555 VanDerWaalsContact OD1-CE 3.31Å; D551-K555 WeakPolarHBondContact OD1-CE 3.37Å; D551-K555 IonicContact OD1-NZ 2.73Å; D551-K555 VanDerWaalsContact OD2-CE 3.29Å; D551-K555 WeakPolarHBondContact OD2-CE 3.36Å; D551-K555 IonicContact OD2-NZ 3.97Å; D551-K555 PolarHBondContact OD2-NZ 3.42Å
552	L	84.3	Confident	84.4	Confident	21 Å²	21	71.8 Å²	71.8	11%	0.11	35%	0.354	C	S	.	.	H	α-helix	trans	-60.4	-48.6	172.9	177.6	65.1	0	0	0	111.4	L537 W540 T541 E548 I549 V550 L554 K555 L556 I585	L537-L552 HydrophobicContact CD2-CD2 4.2Å; W540-L552 HydrophobicContact CE3-CD2 3.85Å; W540-L552 HydrophobicContact CZ3-CB 4.47Å; W540-L552 HydrophobicContact CZ3-CD2 3.64Å; T541-L552 HydrophobicContact CG2-CD2 4.46Å; E548-L552 WeakPolarHBondContact O-CB 3.23Å; E548-L552 PolarHBondContact O-N 3.39Å; I549-L552 WeakPolarHBondContact O-CB 3.42Å; I549-L552 PolarHBondContact O-N 3.43Å; V550-L552 VanDerWaalsContact C-N 3.3Å; V550-L552 PolarHBondContact O-N 3.36Å; L552-L554 VanDerWaalsContact C-N 3.31Å; L552-L554 PolarHBondContact O-N 3.4Å; L552-K555 PolarHBondContact O-N 2.99Å; L552-L556 HydrophobicContact CD1-CD1 4.09Å; L552-L556 HydrophobicContact CD1-CD2 4.27Å; L552-L556 HydrophobicContact CD1-CG 3.95Å; L552-L556 HydrophobicContact CG-CD1 4Å; L552-L556 HydrophobicContact CG-CG 4.22Å; L552-L556 VanDerWaalsContact O-CG 3.3Å; L552-L556 WeakPolarHBondContact O-CG 3.43Å; L552-L556 PolarHBondContact O-N 3.34Å; L552-I585 HydrophobicContact CD2-CD1 4.48Å
553	I	84.9	Confident	84.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-56.9	-46.4	178.6	-69.8	162.8	0	0	0	110.7	I549 V550 K555 L556 R557 I582 I585 V586 L589 L597	I549-I553 HydrophobicContact CG2-CD1 4.2Å; I549-I553 WeakPolarHBondContact O-CG1 3.37Å; I549-I553 PolarHBondContact O-N 3.37Å; V550-I553 PolarHBondContact O-N 3.11Å; V550-I553 VanDerWaalsContact O-N 3.16Å; I553-K555 PolarHBondContact O-N 3.32Å; I553-L556 PolarHBondContact O-N 2.88Å; I553-R557 HydrophobicContact CG2-CG 4.46Å; I553-R557 WeakPolarHBondContact O-CB 3.49Å; I553-R557 WeakPolarHBondContact O-CG 3.05Å; I553-R557 PolarHBondContact O-N 3.19Å; I553-I582 HydrophobicContact CG2-CG2 4.27Å; I553-I585 HydrophobicContact CD1-CG2 3.86Å; I553-I585 HydrophobicContact CG1-CB 4.44Å; I553-I585 HydrophobicContact CG1-CG2 3.93Å; I553-V586 HydrophobicContact CD1-CG2 3.84Å; I553-V586 HydrophobicContact CG1-CG2 4.47Å; I553-V586 HydrophobicContact CG2-CG2 4.26Å; I553-L589 HydrophobicContact CD1-CD1 3.69Å; I553-L597 HydrophobicContact CD1-CD1 4.03Å
554	L	86.1	Confident	84.2	Confident	95 Å²	95	62.4 Å²	62.4	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-45.8	178.7	-67	176.6	0	0	0	111.5	V550 D551 L552 R557 E558	V550-L554 HydrophobicContact CG1-CD1 4.28Å; V550-L554 WeakPolarHBondContact O-CG 2.87Å; V550-L554 PolarHBondContact O-N 3.32Å; D551-L554 PolarHBondContact O-N 3.13Å; L552-L554 VanDerWaalsContact C-N 3.31Å; L552-L554 PolarHBondContact O-N 3.4Å; L554-R557 PolarHBondContact O-N 3.43Å; L554-E558 WeakPolarHBondContact O-CB 3.35Å; L554-E558 PolarHBondContact O-N 3.12Å
555	K	85.4	Confident	83.7	Confident	102 Å²	102	68.5 Å²	68.5	44%	0.443	33%	0.325	S	S	.	.	H	α-helix	trans	-63.5	-40.9	177	-74.9	169.8	174.8	166.3	0	112.8	D551 L552 I553 K559	D551-K555 WeakPolarHBondContact O-CB 3.38Å; D551-K555 WeakPolarHBondContact O-CG 3.33Å; D551-K555 PolarHBondContact O-N 3.14Å; D551-K555 VanDerWaalsContact OD1-CE 3.31Å; D551-K555 WeakPolarHBondContact OD1-CE 3.37Å; D551-K555 IonicContact OD1-NZ 2.73Å; D551-K555 VanDerWaalsContact OD2-CE 3.29Å; D551-K555 WeakPolarHBondContact OD2-CE 3.36Å; D551-K555 IonicContact OD2-NZ 3.97Å; D551-K555 PolarHBondContact OD2-NZ 3.42Å; L552-K555 PolarHBondContact O-N 2.99Å; I553-K555 PolarHBondContact O-N 3.32Å; K555-K559 WeakPolarHBondContact O-CB 3.44Å; K555-K559 VanDerWaalsContact O-CG 3.31Å; K555-K559 WeakPolarHBondContact O-CG 3.3Å; K555-K559 PolarHBondContact O-N 2.88Å
556	L	85.4	Confident	83	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-67.6	-40.7	178	-68	-177.3	0	0	0	111.3	I532 L537 L552 I553 K559 L560 L578 I582	I532-L556 HydrophobicContact CD1-CD2 4.25Å; I532-L556 HydrophobicContact CG2-CD2 3.9Å; L537-L556 HydrophobicContact CD2-CD1 4.18Å; L552-L556 HydrophobicContact CD1-CD1 4.09Å; L552-L556 HydrophobicContact CD1-CD2 4.27Å; L552-L556 HydrophobicContact CD1-CG 3.95Å; L552-L556 HydrophobicContact CG-CD1 4Å; L552-L556 HydrophobicContact CG-CG 4.22Å; L552-L556 VanDerWaalsContact O-CG 3.3Å; L552-L556 WeakPolarHBondContact O-CG 3.43Å; L552-L556 PolarHBondContact O-N 3.34Å; I553-L556 PolarHBondContact O-N 2.88Å; L556-K559 PolarHBondContact O-N 2.99Å; L556-L560 WeakPolarHBondContact O-CB 3.36Å; L556-L560 PolarHBondContact O-N 3.34Å; L556-L578 HydrophobicContact CB-CD1 4.47Å; L556-L578 HydrophobicContact CD1-CD1 4.29Å; L556-L578 HydrophobicContact CD2-CD1 4.16Å; L556-I582 HydrophobicContact CB-CD1 3.93Å; L556-I582 HydrophobicContact CB-CG1 3.95Å; L556-I582 HydrophobicContact CD1-CG1 4.32Å
557	R	86.3	Confident	82.3	Confident	57 Å²	57	68 Å²	68	22%	0.215	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-45.1	174.5	-75.9	178	174.2	-174.9	-0.7	112.5	I553 L554 K559 L560 I561 I582 L597	I553-R557 HydrophobicContact CG2-CG 4.46Å; I553-R557 WeakPolarHBondContact O-CB 3.49Å; I553-R557 WeakPolarHBondContact O-CG 3.05Å; I553-R557 PolarHBondContact O-N 3.19Å; L554-R557 PolarHBondContact O-N 3.43Å; R557-K559 VanDerWaalsContact C-N 3.29Å; R557-K559 PolarHBondContact O-N 3.42Å; R557-L560 PolarHBondContact O-N 2.74Å; R557-I561 WeakPolarHBondContact O-CB 3.19Å; R557-I561 VanDerWaalsContact O-CG1 3.28Å; R557-I561 WeakPolarHBondContact O-CG1 3.47Å; R557-I561 PolarHBondContact O-N 3.4Å; R557-I582 HydrophobicContact CG-CD1 3.97Å; R557-I582 HydrophobicContact CG-CG2 4.07Å; R557-L597 PolarHBondContact NH1-O 2.93Å; R557-L597 PolarHBondContact NH2-O 3.23Å
558	E	85.5	Confident	81.8	Confident	135 Å²	135	63.1 Å²	63.1	63%	0.631	29%	0.286	S	S	*	.	H	α-helix	trans	-58.1	-45.2	175.4	-171.9	-173.3	175.6	0	0	110.6	L554 L560 I561 K562	L554-E558 WeakPolarHBondContact O-CB 3.35Å; L554-E558 PolarHBondContact O-N 3.12Å; E558-L560 PolarHBondContact O-N 3.37Å; E558-I561 PolarHBondContact O-N 2.88Å; E558-K562 VanDerWaalsContact O-CB 3.22Å; E558-K562 WeakPolarHBondContact O-CB 3.33Å; E558-K562 PolarHBondContact O-N 3.34Å
559	K	83.1	Confident	81.1	Confident	63 Å²	63	66 Å²	66	27%	0.274	30%	0.299	S	S	.	.	H	α-helix	trans	-62	-42	175.2	-77.6	-179.8	-177.3	173.9	0	112.7	H528 L529 I532 K555 L556 R557 K562 A563	H528-K559 PolarHBondContact CD2-NZ 3.46Å; H528-K559 PolarHBondContact NE2-NZ 2.91Å; L529-K559 HydrophobicContact CD2-CB 4.18Å; I532-K559 HydrophobicContact CD1-CD 4.27Å; K555-K559 WeakPolarHBondContact O-CB 3.44Å; K555-K559 VanDerWaalsContact O-CG 3.31Å; K555-K559 WeakPolarHBondContact O-CG 3.3Å; K555-K559 PolarHBondContact O-N 2.88Å; L556-K559 PolarHBondContact O-N 2.99Å; R557-K559 VanDerWaalsContact C-N 3.29Å; R557-K559 PolarHBondContact O-N 3.42Å; K559-K562 PolarHBondContact O-N 2.95Å; K559-A563 WeakPolarHBondContact O-CB 3.28Å; K559-A563 PolarHBondContact O-N 2.88Å
560	L	82.8	Confident	80.6	Confident	8 Å²	8	66.5 Å²	66.5	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-66.1	-43.3	178	179.1	137.7	0	0	0	111.6	L556 R557 E558 A563 R564 L578 D579 I582	L556-L560 WeakPolarHBondContact O-CB 3.36Å; L556-L560 PolarHBondContact O-N 3.34Å; R557-L560 PolarHBondContact O-N 2.74Å; E558-L560 PolarHBondContact O-N 3.37Å; L560-A563 PolarHBondContact O-N 2.98Å; L560-R564 WeakPolarHBondContact O-CB 3.36Å; L560-R564 WeakPolarHBondContact O-CG 3.37Å; L560-R564 PolarHBondContact O-N 2.99Å; L560-L578 HydrophobicContact CB-CD2 4.09Å; L560-L578 HydrophobicContact CD1-CB 4.21Å; L560-L578 HydrophobicContact CD1-CD2 4.13Å; L560-L578 HydrophobicContact CD1-CG 4.11Å; L560-D579 HydrophobicContact CD1-CB 4.04Å; L560-I582 HydrophobicContact CD1-CD1 4.27Å
561	I	83.1	Confident	80	Confident	78 Å²	78	71.9 Å²	71.9	40%	0.4	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-46.5	173.8	-68.1	165.8	0	0	0	110.2	R557 E558 R564 R565	R557-I561 WeakPolarHBondContact O-CB 3.19Å; R557-I561 VanDerWaalsContact O-CG1 3.28Å; R557-I561 WeakPolarHBondContact O-CG1 3.47Å; R557-I561 PolarHBondContact O-N 3.4Å; E558-I561 PolarHBondContact O-N 2.88Å; I561-R564 PolarHBondContact O-N 3.39Å; I561-R565 HydrophobicContact CG2-CG 4.34Å; I561-R565 WeakPolarHBondContact O-CB 3.45Å; I561-R565 VanDerWaalsContact O-CG 3.28Å; I561-R565 WeakPolarHBondContact O-CG 3.31Å; I561-R565 PolarHBondContact O-N 3Å
562	K	81.3	Confident	79.1	Confident	82 Å²	82	75.6 Å²	75.6	36%	0.357	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-44.2	177.9	-172.1	-177.4	-179.6	-170.9	0	111.3	E525 E558 K559 R565 Q566	E525-K562 IonicContact OE1-NZ 3.39Å; E525-K562 PolarHBondContact OE1-NZ 2.97Å; E525-K562 IonicContact OE2-NZ 3.5Å; E558-K562 VanDerWaalsContact O-CB 3.22Å; E558-K562 WeakPolarHBondContact O-CB 3.33Å; E558-K562 PolarHBondContact O-N 3.34Å; K559-K562 PolarHBondContact O-N 2.95Å; K562-R565 PolarHBondContact O-N 3.41Å; K562-Q566 VanDerWaalsContact CE-NE2 3.27Å; K562-Q566 HydrophobicContact CG-CG 4.3Å; K562-Q566 VanDerWaalsContact O-CB 3.27Å; K562-Q566 WeakPolarHBondContact O-CB 3.37Å; K562-Q566 VanDerWaalsContact O-CG 3.3Å; K562-Q566 WeakPolarHBondContact O-CG 3.45Å; K562-Q566 PolarHBondContact O-N 3.42Å
563	A	80.6	Confident	78.7	Confident	2 Å²	2	80.4 Å²	80.4	2%	0.017	37%	0.365	C	S	.	.	H	α-helix	trans	-62.7	-44.9	178.1	0	0	0	0	0	112.2	L529 K559 L560 Q567 L568 L575	L529-A563 HydrophobicContact CD1-CB 3.77Å; K559-A563 WeakPolarHBondContact O-CB 3.28Å; K559-A563 PolarHBondContact O-N 2.88Å; L560-A563 PolarHBondContact O-N 2.98Å; A563-Q567 WeakPolarHBondContact O-CA 3.42Å; A563-Q567 PolarHBondContact O-N 2.86Å; A563-L568 HydrophobicContact CB-CD1 3.88Å; A563-L568 HydrophobicContact CB-CG 4.39Å; A563-L568 PolarHBondContact O-N 2.57Å; A563-L575 HydrophobicContact CB-CD2 3.91Å
564	R	79	Confident	78.5	Confident	117 Å²	117	81 Å²	81	44%	0.442	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-43.9	175	-73.5	178.8	176.6	168.6	3.3	111.5	L560 I561 Q567 L575 D579	L560-R564 WeakPolarHBondContact O-CB 3.36Å; L560-R564 WeakPolarHBondContact O-CG 3.37Å; L560-R564 PolarHBondContact O-N 2.99Å; I561-R564 PolarHBondContact O-N 3.39Å; R564-Q567 PolarHBondContact O-N 3.15Å; R564-L575 HydrophobicContact CG-CD1 4.24Å; R564-D579 IonicContact CZ-OD2 3.54Å; R564-D579 IonicContact NH1-OD2 3.5Å; R564-D579 IonicContact NH2-OD2 3.76Å; R564-D579 PolarHBondContact NH2-OD2 3.48Å
565	R	75.5	Confident	78.3	Confident	200 Å²	200	78 Å²	78	76%	0.755	35%	0.353	S	S	*	.	H	α-helix	trans	-65.4	-40.6	177.6	-76.5	179	-178.7	175.9	2.8	113	I561 K562 Q567	I561-R565 HydrophobicContact CG2-CG 4.34Å; I561-R565 WeakPolarHBondContact O-CB 3.45Å; I561-R565 VanDerWaalsContact O-CG 3.28Å; I561-R565 WeakPolarHBondContact O-CG 3.31Å; I561-R565 PolarHBondContact O-N 3Å; K562-R565 PolarHBondContact O-N 3.41Å; R565-Q567 VanDerWaalsContact C-N 3.35Å
566	Q	71.9	Confident	78.2	Confident	78 Å²	78	78.2 Å²	78.2	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-87.4	-4.8	-177.8	-66.2	-177.3	-13.6	0	0	113.4	E525 K562 L568	E525-Q566 PolarHBondContact OE2-OE1 3.09Å; K562-Q566 VanDerWaalsContact CE-NE2 3.27Å; K562-Q566 HydrophobicContact CG-CG 4.3Å; K562-Q566 VanDerWaalsContact O-CB 3.27Å; K562-Q566 WeakPolarHBondContact O-CB 3.37Å; K562-Q566 VanDerWaalsContact O-CG 3.3Å; K562-Q566 WeakPolarHBondContact O-CG 3.45Å; K562-Q566 PolarHBondContact O-N 3.42Å; Q566-L568 VanDerWaalsContact C-N 3.28Å; Q566-L568 HydrophobicContact CB-CD2 4.32Å; Q566-L568 HydrophobicContact CB-CG 4.32Å; Q566-L568 PolarHBondContact O-N 3.14Å
567	Q	69.9	Low	78.2	Confident	74 Å²	74	82.8 Å²	82.8	35%	0.346	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	51.5	-174	-64.4	-169.6	-27.4	0	0	112.1	V127 A563 R564 R565 Q569	V127-Q567 HydrophobicContact CG1-CG 4.07Å; A563-Q567 WeakPolarHBondContact O-CA 3.42Å; A563-Q567 PolarHBondContact O-N 2.86Å; R564-Q567 PolarHBondContact O-N 3.15Å; R565-Q567 VanDerWaalsContact C-N 3.35Å; Q567-Q569 PolarHBondContact O-N 3.26Å
568	L	74.1	Confident	78.1	Confident	16 Å²	16	80 Å²	80	8%	0.084	37%	0.368	C	S	.	.			trans	-56.3	137.9	176.7	-66.5	179.5	0	0	0	109.7	Q522 E525 L529 A563 Q566 V570	Q522-L568 HydrophobicContact CB-CD2 3.61Å; Q522-L568 HydrophobicContact CG-CD2 3.69Å; E525-L568 HydrophobicContact CB-CD1 3.89Å; L529-L568 HydrophobicContact CD1-CD1 3.9Å; A563-L568 HydrophobicContact CB-CD1 3.88Å; A563-L568 HydrophobicContact CB-CG 4.39Å; A563-L568 PolarHBondContact O-N 2.57Å; Q566-L568 VanDerWaalsContact C-N 3.28Å; Q566-L568 HydrophobicContact CB-CD2 4.32Å; Q566-L568 HydrophobicContact CB-CG 4.32Å; Q566-L568 PolarHBondContact O-N 3.14Å; L568-V570 VanDerWaalsContact C-N 3.31Å; L568-V570 HydrophobicContact CB-CG1 4.37Å; L568-V570 PolarHBondContact O-N 2.88Å
569	Q	70	Confident	78.2	Confident	135 Å²	135	76.1 Å²	76.1	63%	0.631	35%	0.352	S	S	*	.			trans	-73.3	89.5	173.3	-69.6	-174	-9.5	0	0	109	S526 Q567	S526-Q569 WeakPolarHBondContact CB-O 3.36Å; S526-Q569 PolarHBondContact OG-O 3.38Å; Q567-Q569 PolarHBondContact O-N 3.26Å
570	V	73.8	Confident	78.3	Confident	23 Å²	23	76 Å²	76	14%	0.139	36%	0.362	C	S	.	.			trans	-116.9	157.1	170.8	-67.6	0	0	0	0	108.2	L529 L568 V574 L575	L529-V570 HydrophobicContact CD1-CG1 4.22Å; L568-V570 VanDerWaalsContact C-N 3.31Å; L568-V570 HydrophobicContact CB-CG1 4.37Å; L568-V570 PolarHBondContact O-N 2.88Å; V570-V574 HydrophobicContact CB-CB 4.25Å; V570-V574 HydrophobicContact CB-CG1 4.35Å; V570-L575 HydrophobicContact CG2-CD1 3.98Å; V570-L575 HydrophobicContact CG2-CD2 4.04Å; V570-L575 HydrophobicContact CG2-CG 3.71Å
571	K	72.3	Confident	78.3	Confident	148 Å²	148	78.6 Å²	78.6	64%	0.643	37%	0.373	S	S	*	.			trans	-61.3	142	172.6	-59.7	173.3	-177.4	171.6	0	109	E573 V574	K571-E573 PolarHBondContact O-N 2.92Å; K571-V574 HydrophobicContact CB-CG2 3.91Å; K571-V574 WeakPolarHBondContact O-CB 3.44Å; K571-V574 PolarHBondContact O-N 3.45Å
572	D	65.1	Low	78.5	Confident	150 Å²	150	75 Å²	75	80%	0.802	36%	0.355	S	S	*	.	H	α-helix	trans	-53.6	-34.1	-173	-67.5	-34.1	0	0	0	112.7	V574	D572-V574 VanDerWaalsContact C-N 3.34Å; D572-V574 PolarHBondContact O-N 3.21Å
573	E	77.1	Confident	78.8	Confident	123 Å²	123	75.1 Å²	75.1	58%	0.575	36%	0.36	S	S	*	.	H	α-helix	trans	-71.7	-20.1	178.7	-59.6	177.2	-169.7	0	0	115	K571 K577	K571-E573 PolarHBondContact O-N 2.92Å; E573-K577 HydrophobicContact CB-CD 4.2Å; E573-K577 WeakPolarHBondContact O-CB 3.15Å; E573-K577 WeakPolarHBondContact O-CD 3.31Å; E573-K577 WeakPolarHBondContact O-CG 3.13Å; E573-K577 PolarHBondContact O-N 2.64Å; E573-K577 IonicContact OE2-NZ 3.72Å; E573-K577 PolarHBondContact OE2-NZ 3.43Å
574	V	81.1	Confident	79	Confident	12 Å²	12	77.9 Å²	77.9	7%	0.073	38%	0.379	C	S	.	.	H	α-helix	trans	-69.6	-41.1	-170.3	172.1	0	0	0	0	110.8	L529 E530 C533 V570 K571 D572 L578	L529-V574 HydrophobicContact CB-CG1 4.35Å; E530-V574 HydrophobicContact CG-CG2 4.23Å; C533-V574 HydrophobicContact CB-CG1 4.48Å; C533-V574 PolarHBondContact SG-O 2.81Å; V570-V574 HydrophobicContact CB-CB 4.25Å; V570-V574 HydrophobicContact CB-CG1 4.35Å; K571-V574 HydrophobicContact CB-CG2 3.91Å; K571-V574 WeakPolarHBondContact O-CB 3.44Å; K571-V574 PolarHBondContact O-N 3.45Å; D572-V574 VanDerWaalsContact C-N 3.34Å; D572-V574 PolarHBondContact O-N 3.21Å; V574-L578 WeakPolarHBondContact O-CB 3.39Å; V574-L578 PolarHBondContact O-N 3.34Å
575	L	81.9	Confident	79.3	Confident	31 Å²	31	72.4 Å²	72.4	16%	0.162	36%	0.358	C	S	.	.	H	α-helix	trans	-70.9	-39.2	179.5	-63.2	179.3	0	0	0	111.6	A563 R564 V570 L578 D579	A563-L575 HydrophobicContact CB-CD2 3.91Å; R564-L575 HydrophobicContact CG-CD1 4.24Å; V570-L575 HydrophobicContact CG2-CD1 3.98Å; V570-L575 HydrophobicContact CG2-CD2 4.04Å; V570-L575 HydrophobicContact CG2-CG 3.71Å; L575-L578 PolarHBondContact O-N 3.48Å; L575-D579 WeakPolarHBondContact O-CB 3.43Å; L575-D579 PolarHBondContact O-N 3.19Å
576	D	83.4	Confident	79.8	Confident	107 Å²	107	63 Å²	63	57%	0.572	32%	0.323	S	S	*	.	H	α-helix	trans	-70.4	-40.1	178.4	-65.8	-20.4	0	0	0	111.4	L578 D579 A580	D576-L578 VanDerWaalsContact C-N 3.34Å; D576-L578 PolarHBondContact O-N 3.38Å; D576-D579 PolarHBondContact O-N 2.93Å; D576-A580 WeakPolarHBondContact O-CB 3.35Å; D576-A580 PolarHBondContact O-N 3.42Å
577	K	84.8	Confident	80.4	Confident	99 Å²	99	61.7 Å²	61.7	43%	0.43	33%	0.33	S	S	.	.	H	α-helix	trans	-58.8	-46	170.9	-79	169.7	174	166	0	111.1	E573 D579 A580 F581	E573-K577 HydrophobicContact CB-CD 4.2Å; E573-K577 WeakPolarHBondContact O-CB 3.15Å; E573-K577 WeakPolarHBondContact O-CD 3.31Å; E573-K577 WeakPolarHBondContact O-CG 3.13Å; E573-K577 PolarHBondContact O-N 2.64Å; E573-K577 IonicContact OE2-NZ 3.72Å; E573-K577 PolarHBondContact OE2-NZ 3.43Å; K577-D579 PolarHBondContact O-N 3.37Å; K577-A580 PolarHBondContact O-N 3.02Å; K577-F581 HydrophobicContact CB-CD2 4.44Å; K577-F581 HydrophobicContact CB-CE2 4.2Å; K577-F581 WeakPolarHBondContact O-CB 3.5Å; K577-F581 WeakPolarHBondContact O-CD2 3.44Å; K577-F581 WeakPolarHBondContact O-CG 3.42Å; K577-F581 PolarHBondContact O-N 2.6Å
578	L	84.5	Confident	81	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-41	178.1	-173.9	61.5	0	0	0	112.2	L529 I532 L556 L560 V574 L575 D576 F581 I582	L529-L578 HydrophobicContact CD2-CD2 3.94Å; I532-L578 HydrophobicContact CG2-CD1 4.17Å; L556-L578 HydrophobicContact CB-CD1 4.47Å; L556-L578 HydrophobicContact CD1-CD1 4.29Å; L556-L578 HydrophobicContact CD2-CD1 4.16Å; L560-L578 HydrophobicContact CB-CD2 4.09Å; L560-L578 HydrophobicContact CD1-CB 4.21Å; L560-L578 HydrophobicContact CD1-CD2 4.13Å; L560-L578 HydrophobicContact CD1-CG 4.11Å; V574-L578 WeakPolarHBondContact O-CB 3.39Å; V574-L578 PolarHBondContact O-N 3.34Å; L575-L578 PolarHBondContact O-N 3.48Å; D576-L578 VanDerWaalsContact C-N 3.34Å; D576-L578 PolarHBondContact O-N 3.38Å; L578-F581 PolarHBondContact O-N 3.04Å; L578-I582 HydrophobicContact CG-CD1 4.19Å; L578-I582 VanDerWaalsContact O-CG1 3.26Å; L578-I582 WeakPolarHBondContact O-CG1 3.37Å; L578-I582 PolarHBondContact O-N 3.18Å
579	D	86.2	Confident	81.5	Confident	53 Å²	53	61 Å²	61	28%	0.283	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-44.7	176.3	-141.3	9.1	0	0	0	111	L560 R564 L575 D576 K577 F581 I582 N583	L560-D579 HydrophobicContact CD1-CB 4.04Å; R564-D579 IonicContact CZ-OD2 3.54Å; R564-D579 IonicContact NH1-OD2 3.5Å; R564-D579 IonicContact NH2-OD2 3.76Å; R564-D579 PolarHBondContact NH2-OD2 3.48Å; L575-D579 WeakPolarHBondContact O-CB 3.43Å; L575-D579 PolarHBondContact O-N 3.19Å; D576-D579 PolarHBondContact O-N 2.93Å; K577-D579 PolarHBondContact O-N 3.37Å; D579-F581 PolarHBondContact O-N 3.37Å; D579-I582 PolarHBondContact O-N 3.41Å; D579-N583 VanDerWaalsContact O-CG 3.3Å; D579-N583 PolarHBondContact O-N 3.4Å; D579-N583 PolarHBondContact O-ND2 2.63Å; D579-N583 VanDerWaalsContact O-ND2 3.1Å
580	A	85.4	Confident	82.2	Confident	59 Å²	59	56.9 Å²	56.9	49%	0.488	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-41.4	175	0	0	0	0	0	112.2	D576 K577 N583 S584	D576-A580 WeakPolarHBondContact O-CB 3.35Å; D576-A580 PolarHBondContact O-N 3.42Å; K577-A580 PolarHBondContact O-N 3.02Å; A580-N583 PolarHBondContact O-N 2.68Å; A580-S584 PolarHBondContact O-N 3.01Å
581	F	84.4	Confident	82.5	Confident	64 Å²	64	63.8 Å²	63.8	28%	0.281	35%	0.35	S	S	.	.	H	α-helix	trans	-63.6	-45.4	175.4	-75.2	-51.1	0	0	0	112.1	L537 K577 L578 D579 N583 S584 I585	L537-F581 HydrophobicContact CD1-CB 4.2Å; L537-F581 HydrophobicContact CD1-CD1 4.5Å; L537-F581 HydrophobicContact CD1-CD2 3.99Å; L537-F581 HydrophobicContact CD1-CE2 4.49Å; L537-F581 HydrophobicContact CD1-CG 4.01Å; K577-F581 HydrophobicContact CB-CD2 4.44Å; K577-F581 HydrophobicContact CB-CE2 4.2Å; K577-F581 WeakPolarHBondContact O-CB 3.5Å; K577-F581 WeakPolarHBondContact O-CD2 3.44Å; K577-F581 WeakPolarHBondContact O-CG 3.42Å; K577-F581 PolarHBondContact O-N 2.6Å; L578-F581 PolarHBondContact O-N 3.04Å; D579-F581 PolarHBondContact O-N 3.37Å; F581-N583 VanDerWaalsContact C-N 3.26Å; F581-N583 PolarHBondContact O-N 3.28Å; F581-S584 PolarHBondContact O-N 3.34Å; F581-S584 VanDerWaalsContact O-N 3.14Å; F581-I585 WeakPolarHBondContact O-CG1 3.22Å; F581-I585 PolarHBondContact O-N 3.48Å
582	I	86.1	Confident	83	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-55.6	-45.5	175.9	-71.8	163.3	0	0	0	110.1	I553 L556 R557 L560 L578 D579 S584 I585 V586	I553-I582 HydrophobicContact CG2-CG2 4.27Å; L556-I582 HydrophobicContact CB-CD1 3.93Å; L556-I582 HydrophobicContact CB-CG1 3.95Å; L556-I582 HydrophobicContact CD1-CG1 4.32Å; R557-I582 HydrophobicContact CG-CD1 3.97Å; R557-I582 HydrophobicContact CG-CG2 4.07Å; L560-I582 HydrophobicContact CD1-CD1 4.27Å; L578-I582 HydrophobicContact CG-CD1 4.19Å; L578-I582 VanDerWaalsContact O-CG1 3.26Å; L578-I582 WeakPolarHBondContact O-CG1 3.37Å; L578-I582 PolarHBondContact O-N 3.18Å; D579-I582 PolarHBondContact O-N 3.41Å; I582-S584 PolarHBondContact O-N 2.65Å; I582-I585 PolarHBondContact O-N 3Å; I582-V586 VanDerWaalsContact O-CG2 3.28Å; I582-V586 WeakPolarHBondContact O-CG2 3.36Å; I582-V586 PolarHBondContact O-N 2.86Å
583	N	87.1	Confident	83.7	Confident	86 Å²	86	57.3 Å²	57.3	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-65.4	-38.3	178.8	-66.2	-32.5	0	0	0	112.5	D579 A580 F581 V586 G587	D579-N583 VanDerWaalsContact O-CG 3.3Å; D579-N583 PolarHBondContact O-N 3.4Å; D579-N583 PolarHBondContact O-ND2 2.63Å; D579-N583 VanDerWaalsContact O-ND2 3.1Å; A580-N583 PolarHBondContact O-N 2.68Å; F581-N583 VanDerWaalsContact C-N 3.26Å; F581-N583 PolarHBondContact O-N 3.28Å; N583-V586 PolarHBondContact O-N 3.14Å; N583-G587 PolarHBondContact O-N 3.28Å
584	S	86.2	Confident	83.9	Confident	60 Å²	60	54 Å²	54	42%	0.42	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-40.7	176.3	-171.4	0	0	0	0	112.5	A580 F581 I582 G587 S588	A580-S584 PolarHBondContact O-N 3.01Å; F581-S584 PolarHBondContact O-N 3.34Å; F581-S584 VanDerWaalsContact O-N 3.14Å; I582-S584 PolarHBondContact O-N 2.65Å; S584-G587 PolarHBondContact O-N 3.17Å; S584-S588 PolarHBondContact O-N 3.08Å
585	I	84.6	Confident	83.7	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-67.8	-43.4	177.1	-61.5	169.1	0	0	0	109.9	L537 M538 T541 I549 L552 I553 F581 I582 G587 S588	L537-I585 HydrophobicContact CB-CD1 4.39Å; L537-I585 HydrophobicContact CD2-CD1 4.43Å; M538-I585 HydrophobicContact SD-CG1 3.89Å; T541-I585 HydrophobicContact CG2-CG2 4.17Å; I549-I585 HydrophobicContact CG2-CG2 3.44Å; I549-I585 VanDerWaalsContact CG2-CG2 3.44Å; L552-I585 HydrophobicContact CD2-CD1 4.48Å; I553-I585 HydrophobicContact CD1-CG2 3.86Å; I553-I585 HydrophobicContact CG1-CB 4.44Å; I553-I585 HydrophobicContact CG1-CG2 3.93Å; F581-I585 WeakPolarHBondContact O-CG1 3.22Å; F581-I585 PolarHBondContact O-N 3.48Å; I582-I585 PolarHBondContact O-N 3Å; I585-G587 VanDerWaalsContact C-N 3.31Å; I585-G587 PolarHBondContact O-N 3.08Å; I585-S588 PolarHBondContact O-N 2.92Å; I585-S588 VanDerWaalsContact O-N 3.07Å; I585-S588 PolarHBondContact O-OG 3.02Å
586	V	85.9	Confident	83.5	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-58.4	-43.6	175.5	172.5	0	0	0	0	111	I553 I582 N583 S588 L589 Q594 L597	I553-V586 HydrophobicContact CD1-CG2 3.84Å; I553-V586 HydrophobicContact CG1-CG2 4.47Å; I553-V586 HydrophobicContact CG2-CG2 4.26Å; I582-V586 VanDerWaalsContact O-CG2 3.28Å; I582-V586 WeakPolarHBondContact O-CG2 3.36Å; I582-V586 PolarHBondContact O-N 2.86Å; N583-V586 PolarHBondContact O-N 3.14Å; V586-S588 PolarHBondContact O-N 3.07Å; V586-L589 PolarHBondContact O-N 2.75Å; V586-L589 VanDerWaalsContact O-N 3.14Å; V586-Q594 HydrophobicContact CG1-CG 4.38Å; V586-Q594 WeakPolarHBondContact O-CG 3.24Å; V586-L597 HydrophobicContact CG1-CB 4.28Å; V586-L597 HydrophobicContact CG2-CB 4.27Å
587	G	83.9	Confident	83.2	Confident	50 Å²	50	56.4 Å²	56.4	52%	0.515	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-16	177.8	0	0	0	0	0	115	N583 S584 I585	N583-G587 PolarHBondContact O-N 3.28Å; S584-G587 PolarHBondContact O-N 3.17Å; I585-G587 VanDerWaalsContact C-N 3.31Å; I585-G587 PolarHBondContact O-N 3.08Å
588	S	83.4	Confident	82.7	Confident	66 Å²	66	55.8 Å²	55.8	46%	0.462	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.4	175.7	73.4	0	0	0	0	114.1	S584 I585 V586	S584-S588 PolarHBondContact O-N 3.08Å; I585-S588 PolarHBondContact O-N 2.92Å; I585-S588 VanDerWaalsContact O-N 3.07Å; I585-S588 PolarHBondContact O-OG 3.02Å; V586-S588 PolarHBondContact O-N 3.07Å
589	L	85.1	Confident	81.6	Confident	9 Å²	9	59 Å²	59	5%	0.047	36%	0.355	C	S	.	.	S	Bend	trans	-83.9	157.5	177.9	-72.6	171.6	0	0	0	111.8	E546 I549 V550 I553 V586 Q594 L597	E546-L589 HydrophobicContact CG-CD2 4.48Å; I549-L589 HydrophobicContact CB-CD2 4.24Å; I549-L589 HydrophobicContact CD1-CD2 4.32Å; I549-L589 HydrophobicContact CG2-CD1 4.17Å; I549-L589 HydrophobicContact CG2-CD2 3.88Å; I549-L589 HydrophobicContact CG2-CG 4.2Å; V550-L589 HydrophobicContact CG2-CD1 4.23Å; I553-L589 HydrophobicContact CD1-CD1 3.69Å; V586-L589 PolarHBondContact O-N 2.75Å; V586-L589 VanDerWaalsContact O-N 3.14Å; L589-Q594 PolarHBondContact O-NE2 3Å; L589-L597 HydrophobicContact CD1-CD1 3.43Å; L589-L597 VanDerWaalsContact CD1-CD1 3.43Å
590	P	84.9	Confident	80	Confident	49 Å²	49	71.6 Å²	71.6	32%	0.318	40%	0.398	S	S	.	.			trans	-50.5	147.1	172.2	-30.8	38.8	0	0	0	114.6	E546 D592 L593 Q594	E546-P590 WeakPolarHBondContact OE1-CG 3.49Å; P590-D592 WeakPolarHBondContact CB-OD1 3.35Å; P590-D592 PolarHBondContact O-N 3.08Å; P590-D592 VanDerWaalsContact O-N 3.12Å; P590-L593 PolarHBondContact O-N 2.63Å; P590-Q594 PolarHBondContact O-N 3.13Å
591	E	80.3	Confident	79.7	Confident	169 Å²	169	72.2 Å²	72.2	79%	0.79	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.4	-173.8	-70.4	-170.4	167.7	0	0	114.3	P595	E591-P595 WeakPolarHBondContact O-CD 3.48Å
592	D	82.3	Confident	79.4	Confident	115 Å²	115	72.6 Å²	72.6	62%	0.615	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-28.9	177.1	61.6	-37.2	0	0	0	113.2	P590	P590-D592 WeakPolarHBondContact CB-OD1 3.35Å; P590-D592 PolarHBondContact O-N 3.08Å; P590-D592 VanDerWaalsContact O-N 3.12Å
593	L	79.5	Confident	79.1	Confident	47 Å²	47	76.6 Å²	76.6	25%	0.246	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-28	178.6	-64.6	178.7	0	0	0	113.3	E546 P590 V596 L597	E546-L593 HydrophobicContact CB-CD1 4.45Å; P590-L593 PolarHBondContact O-N 2.63Å; L593-V596 PolarHBondContact O-N 3.48Å; L593-L597 WeakPolarHBondContact O-CG 3.46Å; L593-L597 PolarHBondContact O-N 3.31Å; L593-L597 VanDerWaalsContact O-N 3.11Å
594	Q	80.9	Confident	78.6	Confident	54 Å²	54	76.1 Å²	76.1	25%	0.252	42%	0.42	S	S	.	.	H	α-helix	trans	-55.2	-48.3	179.4	-68.1	-176.1	22.5	0	0	114.7	V586 L589 P590 V596 L597 N598	V586-Q594 HydrophobicContact CG1-CG 4.38Å; V586-Q594 WeakPolarHBondContact O-CG 3.24Å; L589-Q594 PolarHBondContact O-NE2 3Å; P590-Q594 PolarHBondContact O-N 3.13Å; Q594-V596 VanDerWaalsContact C-N 3.34Å; Q594-V596 PolarHBondContact O-N 3.15Å; Q594-L597 PolarHBondContact O-N 3.28Å; Q594-N598 VanDerWaalsContact O-CB 3.3Å; Q594-N598 WeakPolarHBondContact O-CB 3.48Å; Q594-N598 VanDerWaalsContact O-CG 3.28Å; Q594-N598 PolarHBondContact O-N 3.41Å; Q594-N598 PolarHBondContact O-ND2 2.76Å
595	P	76.8	Confident	78.1	Confident	81 Å²	81	77.1 Å²	77.1	53%	0.526	42%	0.42	S	S	.	.	H	α-helix	trans	-67.5	-33	-178.5	22.9	-31.1	0	0	0	112.8	E591 L597 N598 A599	E591-P595 WeakPolarHBondContact O-CD 3.48Å; P595-L597 VanDerWaalsContact C-N 3.35Å; P595-N598 PolarHBondContact O-N 3.29Å; P595-A599 PolarHBondContact O-N 3.21Å; P595-A599 VanDerWaalsContact O-N 3.07Å
596	V	77.9	Confident	77.7	Confident	106 Å²	106	82.1 Å²	82.1	64%	0.642	45%	0.447	S	S	*	.	H	α-helix	trans	-67	-39.4	176	-179.5	0	0	0	0	110.8	L593 Q594	L593-V596 PolarHBondContact O-N 3.48Å; Q594-V596 VanDerWaalsContact C-N 3.34Å; Q594-V596 PolarHBondContact O-N 3.15Å
597	L	76.9	Confident	77.1	Confident	12 Å²	12	87.8 Å²	87.8	6%	0.063	48%	0.478	C	S	.	.	H	α-helix	trans	-79.2	-27.2	177.3	-62.4	168.9	0	0	0	111.7	V550 I553 R557 V586 L589 L593 Q594 P595	V550-L597 HydrophobicContact CG1-CD2 4.13Å; V550-L597 HydrophobicContact CG2-CD1 4.18Å; I553-L597 HydrophobicContact CD1-CD1 4.03Å; R557-L597 PolarHBondContact NH1-O 2.93Å; R557-L597 PolarHBondContact NH2-O 3.23Å; V586-L597 HydrophobicContact CG1-CB 4.28Å; V586-L597 HydrophobicContact CG2-CB 4.27Å; L589-L597 HydrophobicContact CD1-CD1 3.43Å; L589-L597 VanDerWaalsContact CD1-CD1 3.43Å; L593-L597 WeakPolarHBondContact O-CG 3.46Å; L593-L597 PolarHBondContact O-N 3.31Å; L593-L597 VanDerWaalsContact O-N 3.11Å; Q594-L597 PolarHBondContact O-N 3.28Å; P595-L597 VanDerWaalsContact C-N 3.35Å
598	N	74.3	Confident	76.6	Confident	87 Å²	87	90.7 Å²	90.7	47%	0.465	48%	0.475	S	S	.	.	H	α-helix	trans	-82.8	-14.1	177.3	-73.6	-31.9	0	0	0	113.8	Q594 P595 R600	Q594-N598 VanDerWaalsContact O-CB 3.3Å; Q594-N598 WeakPolarHBondContact O-CB 3.48Å; Q594-N598 VanDerWaalsContact O-CG 3.28Å; Q594-N598 PolarHBondContact O-N 3.41Å; Q594-N598 PolarHBondContact O-ND2 2.76Å; P595-N598 PolarHBondContact O-N 3.29Å; N598-R600 PolarHBondContact O-N 3.31Å
599	A	61.4	Low	76	Confident	67 Å²	67	92.8 Å²	92.8	55%	0.554	48%	0.476	S	S	*	.			trans	-64.9	115	169.3	0	0	0	0	0	109.7	P595	P595-A599 PolarHBondContact O-N 3.21Å; P595-A599 VanDerWaalsContact O-N 3.07Å
600	R	51.8	Low	75.2	Confident	317 Å²	317	100.4 Å²	100.4	100%	1.196	52%	0.515	S	S	*	.			trans	-71	0	-175.5	-82.3	-176.7	173.8	178.5	-1.1	113.9	N598	N598-R600 PolarHBondContact O-N 3.31Å

Retrieved 600 of 600 residues in 219.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).